A0A3Q0KT06_SCHMA Loading...

5'-AMP-activated protein kinase subunit beta-1

Non-catalytic subunit of AMP-activated protein kinase (AMPK), an energy sensor protein kinase that plays a key role in regulating cellular energy metabolism. In response to reduction of intracellular ATP levels, AMPK activates energy-producing pathways and inhibits energy-consuming processes: inhibits protein, carbohydrate and lipid biosynthesis, as well as cell growth and proliferation. AMPK acts via direct phosphorylation of metabolic enzymes, and by longer-term effects via phosphorylation of transcription regulators. Also acts as a regulator of cellular polarity by remodeling the actin cytoskeleton; probably by indirectly activating myosin. Beta non-catalytic subunit acts as a scaffold on which the AMPK complex assembles, via its C-terminus that bridges alpha (PRKAA1 or PRKAA2) and gamma subunits (PRKAG1, PRKAG2 or PRKAG3).

AlphaFold DB , UniProt , Accession A0A3Q0KT06, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 315 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
1M37.9Very low40Very low242 Ų242127.3 Ų127.3100%1.19272%0.721SS**  088.10-75.4159.416400106.4
2S35.8Very low40.1Very low125 Ų125124.2 Ų124.287%0.87470%0.7SS**  trans-80.2115.7-174.541.20000109.6
3H36.6Very low40Very low178 Ų178116.8 Ų116.882%0.82466%0.661SS**  trans-71.9121.2168.4-90.8-95.9000109.3
4D36.2Very low40.4Very low168 Ų168113.1 Ų113.190%0.89863%0.634SS**  trans-96.9114.3159.1-114.9-21.8000106.9
5T39.3Very low40.6Very low114 Ų114112.5 Ų112.570%0.69963%0.634SS**  trans-109.1124.2167.643.50000108
6P42Very low41.1Very low125 Ų125107.2 Ų107.281%0.81261%0.605SS**  trans-72.6140.8-177.530-31.9000110.6
7A43.7Very low41Very low90 Ų90103.8 Ų103.874%0.74460%0.6SS**  trans-54.8136.7-178.500000112.3D9A7-D9 PolarHBondContact O-N 3.17Å
8E42.8Very low41.1Very low179 Ų179102.8 Ų102.884%0.83659%0.592SS**  trans-65.4101.4177.7-63.5-170.1141.600111S10E8-S10 PolarHBondContact O-N 3.02Å
9D41.7Very low41.2Very low116 Ų116103.1 Ų103.162%0.6260%0.6SS**  trans-71.794.5171.3-85.5-33.5000110.3A7 V11A7-D9 PolarHBondContact O-N 3.17Å; D9-V11 PolarHBondContact O-N 3.35Å
10S41Very low41.4Very low55 Ų5599.7 Ų99.739%0.38559%0.585SS.*  trans-67.3122.2176.3-780000112.7E8 L272E8-S10 PolarHBondContact O-N 3.02Å; S10-L272 WeakPolarHBondContact OG-CD2 3.47Å
11V42.8Very low41.8Very low8 Ų896.9 Ų96.95%0.04857%0.569CS.*  trans-83.1130.2163.8174.30000108.1D9 L272 L273 F306D9-V11 PolarHBondContact O-N 3.35Å; V11-L272 VanDerWaalsContact O-CA 3.3Å; V11-L272 WeakPolarHBondContact O-CA 3.45Å; V11-L272 WeakPolarHBondContact O-CD2 3.3Å; V11-L273 HydrophobicContact CB-CB 4.12Å; V11-L273 WeakPolarHBondContact CB-O 3.45Å; V11-L273 HydrophobicContact CG1-CB 3.8Å; V11-L273 HydrophobicContact CG1-CD1 4.2Å; V11-L273 HydrophobicContact CG1-CG 4.34Å; V11-L273 WeakPolarHBondContact CG2-O 3.49Å; V11-F306 WeakPolarHBondContact CG1-O 3.3Å; V11-F306 HydrophobicContact CG2-CB 4.19Å
12I41.7Very low42.2Very low90 Ų9091.7 Ų91.746%0.46254%0.541SS..  trans-107.6121.6178.5-59.8171.6000109F14I12-F14 HydrophobicContact CG2-CD1 4.35Å
13S38.7Very low42.6Very low28 Ų2888.4 Ų88.420%0.19652%0.522CS..  trans-87.8139.7164.8126.70000110.1N271S13-N271 PolarHBondContact N-O 2.86Å; S13-N271 PolarHBondContact O-OD1 2.84Å
14F45.4Very low43Very low65 Ų6581.5 Ų81.529%0.28549%0.49SS..EExtended strand (participates in β ladder)trans-139.3143.3164.846.8-103.9000109.8I12 T16 I24 V307I12-F14 HydrophobicContact CG2-CD1 4.35Å; F14-T16 HydrophobicContact CD2-CG2 3.61Å; F14-T16 HydrophobicContact CE2-CG2 4.25Å; F14-T16 HydrophobicContact CG-CG2 4.46Å; F14-I24 HydrophobicContact CD2-CD1 4.07Å; F14-I24 HydrophobicContact CE2-CD1 3.28Å; F14-I24 HydrophobicContact CE2-CG1 4.37Å; F14-I24 HydrophobicContact CZ-CD1 3.84Å; F14-I24 HydrophobicContact CZ-CG2 4.49Å; F14-V307 HydrophobicContact CE1-CG1 3.64Å; F14-V307 HydrophobicContact CZ-CG1 3.63Å
15V43.2Very low43.7Very low105 Ų10575.8 Ų75.864%0.63647%0.467SS*.EExtended strand (participates in β ladder)trans-94.9121.7172.9179.10000107.5Y312V15-Y312 HydrophobicContact CG1-CD2 4.36Å; V15-Y312 HydrophobicContact CG1-CE2 4.32Å
16T48.4Very low44.3Very low27 Ų2774 Ų7417%0.16645%0.453CS..  trans-130.3139.2-177.5520000111.7F14 A20 I24F14-T16 HydrophobicContact CD2-CG2 3.61Å; F14-T16 HydrophobicContact CE2-CG2 4.25Å; F14-T16 HydrophobicContact CG-CG2 4.46Å; T16-A20 HydrophobicContact CG2-CB 3.79Å; T16-I24 HydrophobicContact CG2-CD1 3.95Å
17G39.1Very low44.4Very low50 Ų5074.6 Ų74.652%0.51545%0.445SS..  trans-75.1167.2171.400000112.2S19 A20 V21G17-S19 PolarHBondContact O-N 2.86Å; G17-A20 PolarHBondContact O-N 3.41Å; G17-V21 PolarHBondContact O-N 3.39Å
18N43.4Very low44.5Very low86 Ų8672.4 Ų72.446%0.4642%0.42SS..Hα-helixtrans-47.2-35.4-171.5-69.26.2000115.6V21 H22N18-V21 PolarHBondContact O-N 3.37Å; N18-H22 PolarHBondContact O-N 2.88Å
19S42.2Very low45Very low107 Ų10771.9 Ų71.975%0.74841%0.411SS*.Hα-helixtrans-66.6-38.7178.8-174.70000112.6G17 A23G17-S19 PolarHBondContact O-N 2.86Å; S19-A23 PolarHBondContact O-N 2.95Å
20A46.5Very low45.2Very low36 Ų3670.8 Ų70.830%0.29841%0.405SS..Hα-helixtrans-77.3-25.1-179.900000112.3T16 G17 A23 I24T16-A20 HydrophobicContact CG2-CB 3.79Å; G17-A20 PolarHBondContact O-N 3.41Å; A20-A23 PolarHBondContact O-N 3.37Å; A20-I24 WeakPolarHBondContact O-CB 3.49Å; A20-I24 VanDerWaalsContact O-CD1 3.24Å; A20-I24 WeakPolarHBondContact O-CD1 3.33Å; A20-I24 WeakPolarHBondContact O-CG1 3.36Å; A20-I24 PolarHBondContact O-N 2.94Å
21V49.6Very low45.2Very low41 Ų4170.1 Ų70.125%0.24840%0.4CS..Hα-helixtrans-65.5-41.4172.71790000111.8G17 N18 I24 A25 L311G17-V21 PolarHBondContact O-N 3.39Å; N18-V21 PolarHBondContact O-N 3.37Å; V21-I24 PolarHBondContact O-N 3.11Å; V21-A25 WeakPolarHBondContact O-CB 3.4Å; V21-A25 PolarHBondContact O-N 3.43Å; V21-L311 HydrophobicContact CG2-CD1 4Å
22H47.2Very low45.3Very low132 Ų13278.8 Ų78.861%0.61143%0.432SS*.Hα-helixtrans-63.2-46.5172.6-90.3-74.2000111.3N18 I24 A25 D26N18-H22 PolarHBondContact O-N 2.88Å; H22-I24 VanDerWaalsContact C-N 3.32Å; H22-I24 PolarHBondContact O-N 3.05Å; H22-A25 PolarHBondContact O-N 3.05Å; H22-D26 VanDerWaalsContact O-CB 3.3Å; H22-D26 WeakPolarHBondContact O-CB 3.34Å; H22-D26 PolarHBondContact O-N 3.39Å
23A42.6Very low45.4Very low56 Ų5680.6 Ų80.646%0.46344%0.442SS..Hα-helixtrans-60.2-39.4177.600000112.9S19 A20 Q27S19-A23 PolarHBondContact O-N 2.95Å; A20-A23 PolarHBondContact O-N 3.37Å; A23-Q27 WeakPolarHBondContact O-CB 3.34Å; A23-Q27 PolarHBondContact O-N 2.96Å
24I45.9Very low45.2Very low33 Ų3387.9 Ų87.917%0.16947%0.466CS..Hα-helixtrans-73.5-40.4176.9-66.9156.8000110.9F14 T16 A20 V21 H22 D26 Q27 L28F14-I24 HydrophobicContact CD2-CD1 4.07Å; F14-I24 HydrophobicContact CE2-CD1 3.28Å; F14-I24 HydrophobicContact CE2-CG1 4.37Å; F14-I24 HydrophobicContact CZ-CD1 3.84Å; F14-I24 HydrophobicContact CZ-CG2 4.49Å; T16-I24 HydrophobicContact CG2-CD1 3.95Å; A20-I24 WeakPolarHBondContact O-CB 3.49Å; A20-I24 VanDerWaalsContact O-CD1 3.24Å; A20-I24 WeakPolarHBondContact O-CD1 3.33Å; A20-I24 WeakPolarHBondContact O-CG1 3.36Å; A20-I24 PolarHBondContact O-N 2.94Å; V21-I24 PolarHBondContact O-N 3.11Å; H22-I24 VanDerWaalsContact C-N 3.32Å; H22-I24 PolarHBondContact O-N 3.05Å; I24-D26 VanDerWaalsContact C-N 3.34Å; I24-Q27 PolarHBondContact O-N 3.47Å; I24-L28 HydrophobicContact CG2-CD1 3.85Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 VanDerWaalsContact O-CB 3.25Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 WeakPolarHBondContact O-CG 3.36Å; I24-L28 PolarHBondContact O-N 3.49Å
25A50.9Low44.8Very low48 Ų4891.2 Ų91.240%0.39749%0.487SS..Hα-helixtrans-62.8-42.9175.700000111.2V21 H22 L28 R29V21-A25 WeakPolarHBondContact O-CB 3.4Å; V21-A25 PolarHBondContact O-N 3.43Å; H22-A25 PolarHBondContact O-N 3.05Å; A25-L28 PolarHBondContact O-N 3.37Å; A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 2.89Å
26D52.1Low44.4Very low78 Ų7891.2 Ų91.242%0.41749%0.492SS..Hα-helixtrans-67.6-44.8175.6-68.4-22.2000110.4H22 I24 L28 R29 D30H22-D26 VanDerWaalsContact O-CB 3.3Å; H22-D26 WeakPolarHBondContact O-CB 3.34Å; H22-D26 PolarHBondContact O-N 3.39Å; I24-D26 VanDerWaalsContact C-N 3.34Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.14Å; D26-R29 CarbonylContact O-C 3.52Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 VanDerWaalsContact O-N 3.09Å; D26-D30 WeakPolarHBondContact O-CB 3.3Å; D26-D30 PolarHBondContact O-N 3.07Å
27Q43.8Very low43.8Very low136 Ų13692.2 Ų92.264%0.63651%0.508SS*.Hα-helixtrans-62.7-38.1175.9-168.9167.328.800112.1A23 I24 S31A23-Q27 WeakPolarHBondContact O-CB 3.34Å; A23-Q27 PolarHBondContact O-N 2.96Å; I24-Q27 PolarHBondContact O-N 3.47Å; Q27-S31 VanDerWaalsContact O-CB 3.26Å; Q27-S31 WeakPolarHBondContact O-CB 3.15Å; Q27-S31 PolarHBondContact O-N 3.34Å; Q27-S31 PolarHBondContact O-OG 3.37Å
28L44.7Very low43.5Very low44 Ų4493.1 Ų93.123%0.2352%0.517CS..Hα-helixtrans-72.2-31.6173.8-71.2174.8000112.3I24 A25 D26 R32 Y302I24-L28 HydrophobicContact CG2-CD1 3.85Å; I24-L28 HydrophobicContact CG2-CG 4.2Å; I24-L28 VanDerWaalsContact O-CB 3.25Å; I24-L28 WeakPolarHBondContact O-CB 3.38Å; I24-L28 WeakPolarHBondContact O-CG 3.36Å; I24-L28 PolarHBondContact O-N 3.49Å; A25-L28 PolarHBondContact O-N 3.37Å; D26-L28 VanDerWaalsContact C-N 3.33Å; D26-L28 PolarHBondContact O-N 3.14Å; L28-R32 WeakPolarHBondContact O-CG 3.38Å; L28-R32 PolarHBondContact O-N 3.24Å; L28-Y302 HydrophobicContact CD2-CD2 3.78Å; L28-Y302 HydrophobicContact CD2-CG 4.44Å
29R53.6Low43Very low169 Ų16997.4 Ų97.464%0.63853%0.532SS*.Hα-helixtrans-71.9-44.8175.5-165.8177.2-166176.62.1111.1A25 D26 S31 R32 L33A25-R29 WeakPolarHBondContact O-CB 3.4Å; A25-R29 PolarHBondContact O-N 2.89Å; D26-R29 CarbonylContact O-C 3.52Å; D26-R29 PolarHBondContact O-N 3.49Å; D26-R29 VanDerWaalsContact O-N 3.09Å; R29-S31 VanDerWaalsContact C-N 3.3Å; R29-S31 PolarHBondContact O-N 3.48Å; R29-R32 WeakPolarHBondContact O-CA 3.17Å; R29-R32 WeakPolarHBondContact O-CB 3.16Å; R29-R32 PolarHBondContact O-N 3.36Å; R29-L33 HydrophobicContact CG-CD1 4.5Å; R29-L33 WeakPolarHBondContact O-CG 3.29Å; R29-L33 PolarHBondContact O-N 2.98Å; R29-L33 VanDerWaalsContact O-N 3.08Å
30D46.3Very low42.4Very low92 Ų9298.4 Ų98.449%0.49254%0.536SS..Hα-helixtrans-65.7-34.9174.6-74.6-13.6000111.4D26 R32 L33 Y34D26-D30 WeakPolarHBondContact O-CB 3.3Å; D26-D30 PolarHBondContact O-N 3.07Å; D30-R32 PolarHBondContact O-N 2.88Å; D30-L33 CarbonylContact O-C 3.55Å; D30-L33 PolarHBondContact O-N 3.32Å; D30-L33 VanDerWaalsContact O-N 3.08Å; D30-Y34 PolarHBondContact O-N 3.1Å
31S41.3Very low41.6Very low42 Ų42102.5 Ų102.529%0.29455%0.552SS.*Hα-helixtrans-66.7-24.1172.1-59.50000113.5Q27 R29Q27-S31 VanDerWaalsContact O-CB 3.26Å; Q27-S31 WeakPolarHBondContact O-CB 3.15Å; Q27-S31 PolarHBondContact O-N 3.34Å; Q27-S31 PolarHBondContact O-OG 3.37Å; R29-S31 VanDerWaalsContact C-N 3.3Å; R29-S31 PolarHBondContact O-N 3.48Å
32R45Very low40.5Very low190 Ų190108.3 Ų108.372%0.71758%0.581SS**Hα-helixtrans-84.3-19.8171.5-70.9175.4-169175.53.9112.4L28 R29 D30L28-R32 WeakPolarHBondContact O-CG 3.38Å; L28-R32 PolarHBondContact O-N 3.24Å; R29-R32 WeakPolarHBondContact O-CA 3.17Å; R29-R32 WeakPolarHBondContact O-CB 3.16Å; R29-R32 PolarHBondContact O-N 3.36Å; D30-R32 PolarHBondContact O-N 2.88Å
33L43.9Very low39.6Very low128 Ų128110.7 Ų110.767%0.6759%0.59SS**Hα-helixtrans-92.2-20177.4-67.2170.9000112.5R29 D30R29-L33 HydrophobicContact CG-CD1 4.5Å; R29-L33 WeakPolarHBondContact O-CG 3.29Å; R29-L33 PolarHBondContact O-N 2.98Å; R29-L33 VanDerWaalsContact O-N 3.08Å; D30-L33 CarbonylContact O-C 3.55Å; D30-L33 PolarHBondContact O-N 3.32Å; D30-L33 VanDerWaalsContact O-N 3.08Å
34Y33.7Very low39.3Very low180 Ų180114.2 Ų114.271%0.70661%0.606SS**  trans-107.563.2169.1-80.6-87.5000111.5D30 S36D30-Y34 PolarHBondContact O-N 3.1Å; Y34-S36 VanDerWaalsContact C-N 3.27Å; Y34-S36 PolarHBondContact O-N 3.49Å
35D37.7Very low38.7Very low135 Ų135115.7 Ų115.772%0.72263%0.629SS**  trans-89.275.5149.4-166.416.7000108.3G37D35-G37 PolarHBondContact O-N 3.46Å; D35-G37 WeakPolarHBondContact OD1-CA 3.41Å; D35-G37 PolarHBondContact OD1-N 3.27Å; D35-G37 VanDerWaalsContact OD1-N 3.12Å
36S34.2Very low37.6Very low106 Ų106116.5 Ų116.574%0.74164%0.643SS**  trans-76.544.9160.2-45.80000109.4Y34 G38Y34-S36 VanDerWaalsContact C-N 3.27Å; Y34-S36 PolarHBondContact O-N 3.49Å; S36-G38 PolarHBondContact O-N 3.18Å
37G36.4Very low36.8Very low48 Ų48119.2 Ų119.250%0.49566%0.664SS.*  trans-82.8100.1173.300000108.3D35 K39D35-G37 PolarHBondContact O-N 3.46Å; D35-G37 WeakPolarHBondContact OD1-CA 3.41Å; D35-G37 PolarHBondContact OD1-N 3.27Å; D35-G37 VanDerWaalsContact OD1-N 3.12Å; G37-K39 PolarHBondContact O-N 2.78Å
38G32Very low36.2Very low69 Ų69115.9 Ų115.971%0.71167%0.666SS**  trans-43.6130.3-173.300000113.8S36S36-G38 PolarHBondContact O-N 3.18Å
39K32.9Very low35.7Very low176 Ų176122.5 Ų122.577%0.76570%0.701SS**  trans-39.8130.5159.3-87.3177.9170178.40108.8G37 N41G37-K39 PolarHBondContact O-N 2.78Å; K39-N41 PolarHBondContact O-N 2.83Å
40P29.8Very low34.7Very low128 Ų128118.1 Ų118.183%0.83171%0.709SS**  trans-63.191.6151.827.4-29.6000106.6L42P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.43Å
41N29Very low34.1Very low121 Ų121121.9 Ų121.965%0.64773%0.728SS**  trans-64.8100.5163.2-77-21.4000105.8K39 F43K39-N41 PolarHBondContact O-N 2.83Å; N41-F43 PolarHBondContact O-N 2.78Å
42L28.3Very low33.9Very low164 Ų164127.5 Ų127.586%0.85976%0.755SS**  trans-70.486.5164.5-154.982.8000106.8P40 V44P40-L42 VanDerWaalsContact C-N 3.33Å; P40-L42 PolarHBondContact O-N 3.43Å; L42-V44 PolarHBondContact O-N 2.99Å
43F27.7Very low33.5Very low181 Ų181126.1 Ų126.179%0.79476%0.76SS**  trans-88.195.3177.5-147.2-92.2000107.5N41 G45N41-F43 PolarHBondContact O-N 2.78Å; F43-G45 PolarHBondContact O-N 2.86Å
44V36.5Very low33.2Very low130 Ų130125 Ų12579%0.78876%0.763SS**  trans-90.996.1167.6-179.30000107.8L42L42-V44 PolarHBondContact O-N 2.99Å
45G32.9Very low33.3Very low65 Ų65126.2 Ų126.267%0.6778%0.775SS**  trans40.5110.3152.800000120.9F43F43-G45 PolarHBondContact O-N 2.86Å
46G28Very low33.2Very low65 Ų65128 Ų12867%0.6778%0.779SS**  trans-73.8-162154.400000112.9
47P36Very low33.3Very low134 Ų134130.2 Ų130.287%0.8778%0.782SS**  cis-135.2171.413.540.3-22.6000115.7
48G30.8Very low33.6Very low66 Ų66136.3 Ų136.368%0.6880%0.798SS**  trans105.1107.3136.500000118.1
49L32.7Very low34.6Very low183 Ų183138.6 Ų138.696%0.95880%0.8SS**  40115.8129-58.4172.6000118.4
50G33.1Very low36Very low78 Ų78135.1 Ų135.180%0.80479%0.793SS**  trans161.284.6159.100000112.6D52G50-D52 PolarHBondContact O-N 2.79Å
51L35.1Very low38.3Very low171 Ų171135.2 Ų135.290%0.89578%0.783SS**  trans-60.3112.9153.6-73.2159.3000106.6
52D36.3Very low41.1Very low159 Ų159132.2 Ų132.285%0.8577%0.771SS**  trans-168.1144.5142.6-94.4-27000111.9G50G50-D52 PolarHBondContact O-N 2.79Å
53I37.4Very low44.1Very low162 Ų162124.9 Ų124.983%0.83173%0.733SS**  trans-70.8126.5-171.2-67.6152000110.3
54S36.7Very low47.2Very low104 Ų104119.8 Ų119.873%0.72772%0.718SS**  trans-160.4109159.6-60.30000109.6E56S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 2.85Å
55E36.6Very low50Low206 Ų206114.1 Ų114.196%0.96368%0.684SS**  trans-66.488.8162.5-74.8-174135.500108.9
56E34Very low53Low172 Ų172115.7 Ų115.780%0.80468%0.68SS**  trans-149.3100.1172.5-154.5159.9-179.800111.6S54S54-E56 VanDerWaalsContact C-N 3.31Å; S54-E56 PolarHBondContact O-N 2.85Å
57N36.7Very low56.3Low152 Ų152112.8 Ų112.881%0.81365%0.649SS**  trans52.369.3152.5-139.219.5000117.3
58Q42.2Very low59.2Low176 Ų176111.3 Ų111.382%0.82263%0.629SS**  trans-62.1130.4158.9-76-158.12.200108.8V60Q58-V60 PolarHBondContact O-N 2.86Å
59P54.4Low62.3Low118 Ų118109 Ų10977%0.76660%0.6SS**  trans-58.7117.9175.224.5-31.7000107.8Q61P59-Q61 PolarHBondContact O-N 3.31Å
60V62.4Low65.2Low102 Ų102103.6 Ų103.662%0.61857%0.572SS**  trans-58.9105.2177.7-177.10000107.3Q58 S62 P107Q58-V60 PolarHBondContact O-N 2.86Å; V60-S62 PolarHBondContact O-N 2.79Å; V60-S62 PolarHBondContact O-OG 3.22Å; V60-P107 HydrophobicContact CG1-CB 3.54Å; V60-P107 HydrophobicContact CG1-CG 3.77Å
61Q77.6Confident68Low131 Ų131102.5 Ų102.561%0.61256%0.561SS**  trans-62.2106.3-178.1-173174.4-0.500107.8P59 V63P59-Q61 PolarHBondContact O-N 3.31Å; Q61-V63 HydrophobicContact CG-CG1 4.4Å
62S88.9Confident70.7Confident57 Ų5795.1 Ų95.140%0.39953%0.526SS..EExtended strand (participates in β ladder)trans-95.8144.3175.1-58.60000108.4V60 L106V60-S62 PolarHBondContact O-N 2.79Å; V60-S62 PolarHBondContact O-OG 3.22Å; S62-L106 CarbonylContact C-O 3.53Å; S62-L106 VanDerWaalsContact CA-O 3.26Å; S62-L106 WeakPolarHBondContact CA-O 3.3Å
63V90.2Very high73.3Confident11 Ų1188.8 Ų88.87%0.06750%0.499CS..EExtended strand (participates in β ladder)trans-132141.2-170.3-68.40000110.4Q61 T65 D105 L106 L108 V143 F148Q61-V63 HydrophobicContact CG-CG1 4.4Å; V63-T65 PolarHBondContact O-N 2.82Å; V63-T65 VanDerWaalsContact O-N 3.11Å; V63-T65 PolarHBondContact O-OG1 3.46Å; V63-D105 WeakPolarHBondContact O-CA 3.32Å; V63-L106 WeakPolarHBondContact CG2-O 3.4Å; V63-L106 PolarHBondContact N-O 3.14Å; V63-L106 PolarHBondContact O-N 3.34Å; V63-L108 HydrophobicContact CG2-CD2 4.09Å; V63-V143 HydrophobicContact CG2-CG1 3.28Å; V63-F148 HydrophobicContact CB-CD1 4.04Å; V63-F148 HydrophobicContact CB-CD2 3.94Å; V63-F148 HydrophobicContact CB-CE1 3.57Å; V63-F148 HydrophobicContact CB-CE2 3.48Å; V63-F148 VanDerWaalsContact CB-CE2 3.48Å; V63-F148 HydrophobicContact CB-CG 4.22Å; V63-F148 HydrophobicContact CB-CZ 3.29Å; V63-F148 HydrophobicContact CG1-CD1 4.46Å; V63-F148 HydrophobicContact CG1-CD2 4.03Å; V63-F148 HydrophobicContact CG1-CE1 4.45Å; V63-F148 HydrophobicContact CG1-CE2 4.05Å; V63-F148 HydrophobicContact CG1-CG 4.27Å; V63-F148 HydrophobicContact CG1-CZ 4.27Å; V63-F148 HydrophobicContact CG2-CD2 3.97Å; V63-F148 HydrophobicContact CG2-CE1 4.04Å; V63-F148 HydrophobicContact CG2-CE2 3.16Å; V63-F148 HydrophobicContact CG2-CZ 3.21Å
64P93.9Very high75.9Confident73 Ų7389.3 Ų89.347%0.47450%0.495SS..EExtended strand (participates in β ladder)trans-68.4111.9-171.825.8-34000110.8I103 D105 F148P64-I103 HydrophobicContact CB-CG2 3.82Å; P64-D105 VanDerWaalsContact CA-OD1 3.31Å; P64-D105 WeakPolarHBondContact CA-OD1 3.31Å; P64-F148 HydrophobicContact CG-CE1 4.14Å; P64-F148 WeakPolarHBondContact O-CE1 3.5Å
65T95.1Very high78.7Confident12 Ų1288.8 Ų88.87%0.07448%0.484CS..EExtended strand (participates in β ladder)trans-110.3126.3-177.2-54.80000110.3V63 F67 I103 I104 L106 I141 V143V63-T65 PolarHBondContact O-N 2.82Å; V63-T65 VanDerWaalsContact O-N 3.11Å; V63-T65 PolarHBondContact O-OG1 3.46Å; T65-F67 HydrophobicContact CG2-CE2 3.9Å; T65-F67 HydrophobicContact CG2-CZ 4.13Å; T65-I103 WeakPolarHBondContact O-CA 3.44Å; T65-I104 WeakPolarHBondContact CB-O 3.38Å; T65-I104 PolarHBondContact N-O 2.97Å; T65-I104 PolarHBondContact O-N 2.93Å; T65-L106 HydrophobicContact CG2-CD1 4.08Å; T65-I141 HydrophobicContact CG2-CD1 3.61Å; T65-V143 HydrophobicContact CG2-CG2 4.33Å
66V95.8Very high81.6Confident97 Ų9779.2 Ų79.259%0.58844%0.44SS*.EExtended strand (participates in β ladder)trans-86.8125.8-178.2-177.50000110.2I103V66-I103 HydrophobicContact CG2-CG1 4.3Å
67F97Very high84.6Confident4 Ų473.4 Ų73.42%0.01841%0.411CS..EExtended strand (participates in β ladder)trans-109.1131.6169.1-68.8-87.9000109.7T65 I78 F82 Y101 T102 I104 L106 Y113 I141T65-F67 HydrophobicContact CG2-CE2 3.9Å; T65-F67 HydrophobicContact CG2-CZ 4.13Å; F67-I78 HydrophobicContact CB-CD1 3.69Å; F67-I78 HydrophobicContact CD1-CD1 3.38Å; F67-I78 HydrophobicContact CD2-CD1 4.16Å; F67-I78 HydrophobicContact CE1-CD1 4.02Å; F67-I78 HydrophobicContact CG-CD1 3.45Å; F67-I78 VanDerWaalsContact CG-CD1 3.45Å; F67-F82 HydrophobicContact CZ-CE1 4.26Å; F67-Y101 CarbonylContact O-C 3.56Å; F67-Y101 WeakPolarHBondContact O-CA 3.46Å; F67-T102 HydrophobicContact CB-CG2 4.09Å; F67-T102 PolarHBondContact N-O 3.38Å; F67-T102 PolarHBondContact O-N 3.24Å; F67-I104 HydrophobicContact CD2-CB 4.33Å; F67-I104 HydrophobicContact CD2-CD1 3.97Å; F67-I104 HydrophobicContact CD2-CG1 4.19Å; F67-I104 HydrophobicContact CE2-CB 4.15Å; F67-I104 HydrophobicContact CE2-CD1 4.15Å; F67-I104 HydrophobicContact CE2-CG1 4.42Å; F67-L106 HydrophobicContact CE2-CD1 3.74Å; F67-L106 HydrophobicContact CZ-CD1 3.63Å; F67-Y113 HydrophobicContact CD1-CD1 4.36Å; F67-Y113 AromaticContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CE1 4.33Å; F67-Y113 AromaticContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CG 4.15Å; F67-Y113 AromaticContact CE1-CD1 3.64Å; F67-Y113 HydrophobicContact CE1-CD1 3.64Å; F67-Y113 AromaticContact CE1-CD2 3.98Å; F67-Y113 HydrophobicContact CE1-CD2 3.98Å; F67-Y113 AromaticContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE2 4.11Å; F67-Y113 AromaticContact CE1-CG 3.73Å; F67-Y113 HydrophobicContact CE1-CG 3.73Å; F67-I141 HydrophobicContact CE1-CG2 4.05Å; F67-I141 HydrophobicContact CZ-CG2 3.99Å
68K96.1Very high87.6Confident103 Ų10366.2 Ų66.245%0.44837%0.372SS..EExtended strand (participates in β ladder)trans-130140.4-176.5-174.4176.8177.8-114.90110.3D70 F100 F115K68-D70 WeakPolarHBondContact CE-OD1 3.43Å; K68-D70 WeakPolarHBondContact CG-OD1 3.48Å; K68-D70 IonicContact NZ-OD1 2.85Å; K68-D70 PolarHBondContact NZ-OD1 2.85Å; K68-D70 IonicContact NZ-OD2 2.71Å; K68-D70 PolarHBondContact NZ-OD2 3.08Å; K68-F100 CarbonylContact C-O 3.55Å; K68-F100 WeakPolarHBondContact CA-O 3.44Å; K68-F115 WeakPolarHBondContact O-CZ 3.33Å
69W96.4Very high90.2Very high17 Ų1757.9 Ų57.96%0.06433%0.333CS..EExtended strand (participates in β ladder)trans-126120174.4173.4-102.3000109.8G72 V76 M91 N99 F100 F115 V117 K122 D124W69-G72 PolarHBondContact NE1-O 3.03Å; W69-V76 HydrophobicContact CB-CG1 4.31Å; W69-V76 HydrophobicContact CG-CG1 4.15Å; W69-M91 HydrophobicContact CB-CE 3.99Å; W69-M91 HydrophobicContact CB-SD 4.37Å; W69-N99 CarbonylContact O-C 3.56Å; W69-N99 VanDerWaalsContact O-CA 3.28Å; W69-N99 WeakPolarHBondContact O-CA 3.42Å; W69-F100 HydrophobicContact CB-CB 4.3Å; W69-F100 PolarHBondContact N-O 2.86Å; W69-F100 PolarHBondContact O-N 3.35Å; W69-F115 HydrophobicContact CB-CD1 4.12Å; W69-F115 HydrophobicContact CB-CE1 3.97Å; W69-F115 HydrophobicContact CB-CZ 4.28Å; W69-F115 HydrophobicContact CD2-CD2 4.36Å; W69-F115 HydrophobicContact CD2-CG 4.27Å; W69-F115 HydrophobicContact CE3-CB 4.17Å; W69-F115 HydrophobicContact CE3-CD1 4.37Å; W69-F115 AromaticContact CE3-CD2 3.4Å; W69-F115 HydrophobicContact CE3-CD2 3.4Å; W69-F115 VanDerWaalsContact CE3-CD2 3.4Å; W69-F115 AromaticContact CE3-CE2 3.78Å; W69-F115 HydrophobicContact CE3-CE2 3.78Å; W69-F115 AromaticContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CZ 4.41Å; W69-F115 HydrophobicContact CZ3-CB 4.45Å; W69-F115 AromaticContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CE2 4.39Å; W69-F115 HydrophobicContact CZ3-CG 4.31Å; W69-V117 HydrophobicContact CD2-CG2 4.22Å; W69-V117 HydrophobicContact CH2-CG2 4.44Å; W69-V117 HydrophobicContact CZ2-CG2 3.75Å; W69-K122 HydrophobicContact CH2-CB 3.84Å; W69-K122 HydrophobicContact CH2-CD 4.04Å; W69-K122 HydrophobicContact CZ2-CB 4.44Å; W69-K122 HydrophobicContact CZ2-CD 3.96Å; W69-K122 HydrophobicContact CZ3-CB 4.38Å; W69-D124 HydrophobicContact CE3-CB 4.34Å; W69-D124 HydrophobicContact CZ3-CB 4.13Å
70D93.4Very high92.2Very high70 Ų7052.3 Ų52.337%0.37430%0.297SS..  trans-103-0.8-175.7-67.8-21.9000113.5K68 G72 N99K68-D70 WeakPolarHBondContact CE-OD1 3.43Å; K68-D70 WeakPolarHBondContact CG-OD1 3.48Å; K68-D70 IonicContact NZ-OD1 2.85Å; K68-D70 PolarHBondContact NZ-OD1 2.85Å; K68-D70 IonicContact NZ-OD2 2.71Å; K68-D70 PolarHBondContact NZ-OD2 3.08Å; D70-G72 VanDerWaalsContact C-N 3.31Å; D70-G72 PolarHBondContact O-N 2.82Å; D70-N99 VanDerWaalsContact CG-ND2 3.34Å; D70-N99 WeakPolarHBondContact OD1-CB 3.45Å; D70-N99 PolarHBondContact OD1-ND2 2.84Å
71G91.8Very high93.8Very high55 Ų5550.3 Ų50.357%0.56729%0.285SS*.SBendtrans-849.9-173.100000116.2
72G90.9Very high94.6Very high17 Ų1746.5 Ų46.518%0.17527%0.267CS..  trans66.7-174.6-174.600000114.1W69 D70 H98W69-G72 PolarHBondContact NE1-O 3.03Å; D70-G72 VanDerWaalsContact C-N 3.31Å; D70-G72 PolarHBondContact O-N 2.82Å; G72-H98 WeakPolarHBondContact CA-O 3.44Å
73G91.9Very high94.8Very high26 Ų2645 Ų4527%0.26825%0.254SS..  trans142.9169.9-17800000112.5F100G73-F100 VanDerWaalsContact O-CZ 3.29Å; G73-F100 WeakPolarHBondContact O-CZ 3.4Å
74K92.6Very high95Very high172 Ų17245.9 Ų45.975%0.74827%0.265SS*.SBendtrans-95.6-54168.3-61-179.8-178.5179.50110D118K74-D118 WeakPolarHBondContact CA-OD1 3.24Å; K74-D118 WeakPolarHBondContact CB-OD1 3.2Å; K74-D118 PolarHBondContact N-OD1 3.19Å
75D94.5Very high95.1Very high94 Ų9446.7 Ų46.750%0.50326%0.259SS..SBendtrans-119.2113.6-179.8-62.2-60.9000109.6Y77 D118D75-Y77 HydrophobicContact CB-CE2 3.91Å; D75-D118 PolarHBondContact N-OD1 3.39Å; D75-D118 PolarHBondContact O-N 2.88Å
76V97.5Very high94.9Very high5 Ų556.6 Ų56.63%0.0330%0.295CS..EExtended strand (participates in β ladder)trans-120.5128.3-177.5-174.50000109.4W69 M91 F100 I116 V117W69-V76 HydrophobicContact CB-CG1 4.31Å; W69-V76 HydrophobicContact CG-CG1 4.15Å; V76-M91 HydrophobicContact CB-CB 4.39Å; V76-M91 HydrophobicContact CG1-CB 4.29Å; V76-M91 HydrophobicContact CG1-CG 4.28Å; V76-M91 HydrophobicContact CG1-SD 3.54Å; V76-M91 VanDerWaalsContact CG1-SD 3.54Å; V76-M91 PolarHBondContact O-N 3.14Å; V76-F100 HydrophobicContact CB-CB 4.22Å; V76-F100 HydrophobicContact CB-CD1 3.68Å; V76-F100 HydrophobicContact CB-CD2 4.32Å; V76-F100 HydrophobicContact CB-CE1 4.03Å; V76-F100 HydrophobicContact CB-CG 3.83Å; V76-F100 HydrophobicContact CG1-CB 4.19Å; V76-F100 HydrophobicContact CG1-CG 4.27Å; V76-F100 HydrophobicContact CG2-CB 4.5Å; V76-F100 HydrophobicContact CG2-CD1 3.7Å; V76-F100 HydrophobicContact CG2-CD2 3.7Å; V76-F100 HydrophobicContact CG2-CE1 3.67Å; V76-F100 HydrophobicContact CG2-CE2 3.7Å; V76-F100 HydrophobicContact CG2-CG 3.71Å; V76-F100 HydrophobicContact CG2-CZ 3.67Å; V76-I116 WeakPolarHBondContact CA-O 3.42Å; V76-V117 HydrophobicContact CG1-CG2 4.2Å; V76-V117 HydrophobicContact CG2-CG1 4.32Å; V76-V117 HydrophobicContact CG2-CG2 4.5Å
77Y98.2Very high94.8Very high50 Ų5055 Ų5520%0.19629%0.288CS..EExtended strand (participates in β ladder)trans-129163.1175.1-49.5-98.8000110.8D75 K88 I89 P90 F115 I116D75-Y77 HydrophobicContact CB-CE2 3.91Å; Y77-K88 HydrophobicContact CD1-CB 3.94Å; Y77-K88 HydrophobicContact CD1-CD 3.76Å; Y77-K88 HydrophobicContact CD1-CG 3.69Å; Y77-K88 HydrophobicContact CD2-CD 4.03Å; Y77-K88 HydrophobicContact CE1-CD 3.89Å; Y77-K88 HydrophobicContact CE1-CG 4.1Å; Y77-K88 HydrophobicContact CE2-CD 4.11Å; Y77-K88 HydrophobicContact CG-CB 3.95Å; Y77-K88 HydrophobicContact CG-CD 3.86Å; Y77-K88 HydrophobicContact CG-CG 4.06Å; Y77-I89 CarbonylContact C-O 3.58Å; Y77-I89 WeakPolarHBondContact CA-O 3.25Å; Y77-I89 WeakPolarHBondContact CB-O 3.12Å; Y77-P90 VanDerWaalsContact CD1-CA 3.5Å; Y77-P90 HydrophobicContact CD1-CB 3.94Å; Y77-P90 HydrophobicContact CE1-CB 3.94Å; Y77-F115 CarbonylContact O-C 3.54Å; Y77-F115 WeakPolarHBondContact O-CA 3.49Å; Y77-I116 PolarHBondContact N-O 3.49Å; Y77-I116 PolarHBondContact O-N 3.31Å
78I98.2Very high94.7Very high0 Ų060.4 Ų60.40%031%0.312CS..EExtended strand (participates in β ladder)trans-124.5147.1169.9-171.6173.8000110.2F67 F82 I89 M91 T102 I104 Y113 F115F67-I78 HydrophobicContact CB-CD1 3.69Å; F67-I78 HydrophobicContact CD1-CD1 3.38Å; F67-I78 HydrophobicContact CD2-CD1 4.16Å; F67-I78 HydrophobicContact CE1-CD1 4.02Å; F67-I78 HydrophobicContact CG-CD1 3.45Å; F67-I78 VanDerWaalsContact CG-CD1 3.45Å; I78-F82 HydrophobicContact CD1-CZ 4.34Å; I78-F82 HydrophobicContact CG1-CZ 4.29Å; I78-I89 HydrophobicContact CG2-CB 3.9Å; I78-I89 HydrophobicContact CG2-CG2 4.35Å; I78-I89 PolarHBondContact N-O 3.36Å; I78-I89 PolarHBondContact O-N 3Å; I78-M91 HydrophobicContact CB-SD 4.21Å; I78-M91 HydrophobicContact CG2-CG 4.3Å; I78-T102 HydrophobicContact CG2-CG2 3.75Å; I78-I104 HydrophobicContact CG2-CD1 4.03Å; I78-Y113 HydrophobicContact CD1-CD2 3.71Å; I78-Y113 HydrophobicContact CD1-CE2 4.48Å; I78-Y113 HydrophobicContact CD1-CG 4.21Å; I78-Y113 HydrophobicContact CG1-CD2 4.25Å; I78-F115 HydrophobicContact CB-CD1 4.21Å; I78-F115 HydrophobicContact CB-CE1 4.35Å; I78-F115 HydrophobicContact CD1-CE1 3.99Å; I78-F115 HydrophobicContact CD1-CZ 4.46Å; I78-F115 HydrophobicContact CG1-CD1 4.34Å; I78-F115 HydrophobicContact CG1-CE1 4.28Å
79S97.9Very high94.7Very high2 Ų257.6 Ų57.61%0.01430%0.301CS..EExtended strand (participates in β ladder)trans-141.1153.4171.3-161.30000109.1N83 W85 S87 Y113 K114S79-N83 PolarHBondContact OG-OD1 3.1Å; S79-W85 WeakPolarHBondContact O-CZ3 3.5Å; S79-S87 WeakPolarHBondContact CB-O 3.43Å; S79-S87 PolarHBondContact OG-O 2.88Å; S79-Y113 CarbonylContact O-C 3.48Å; S79-Y113 VanDerWaalsContact O-CA 3.29Å; S79-Y113 WeakPolarHBondContact O-CA 3.46Å; S79-K114 PolarHBondContact N-O 2.99Å; S79-K114 PolarHBondContact O-N 2.91Å
80G97Very high94.8Very high0 Ų060.8 Ų60.80%032%0.324CS..EExtended strand (participates in β ladder)trans-168.6-173-174.800000115.1F82 N83 G84 W85 Q112G80-F82 PolarHBondContact O-N 3.29Å; G80-N83 PolarHBondContact N-OD1 3.13Å; G80-N83 PolarHBondContact O-N 3.46Å; G80-N83 PolarHBondContact O-OD1 3.05Å; G80-G84 PolarHBondContact O-N 3.39Å; G80-W85 PolarHBondContact O-N 3.31Å; G80-Q112 CarbonylContact C-O 3.56Å; G80-Q112 WeakPolarHBondContact CA-O 3.49Å
81T96Very high95Very high60 Ų6058.2 Ų58.237%0.36831%0.31SS..G310 helixtrans-60.2-36.1176.547.20000112.1N83 G84 W85 H111 Q112T81-N83 VanDerWaalsContact C-N 3.26Å; T81-N83 PolarHBondContact O-N 3.32Å; T81-G84 PolarHBondContact O-N 3.48Å; T81-W85 HydrophobicContact CG2-CZ2 4.39Å; T81-H111 WeakPolarHBondContact OG1-CA 3.15Å; T81-Q112 HydrophobicContact CG2-CB 3.89Å; T81-Q112 PolarHBondContact N-O 2.98Å; T81-Q112 PolarHBondContact OG1-N 3.14Å; T81-Q112 VanDerWaalsContact OG1-N 3.13Å; T81-Q112 PolarHBondContact OG1-O 2.85Å
82F94.3Very high95.2Very high51 Ų5159.4 Ų59.422%0.22431%0.306CS..G310 helixtrans-62.9-24.2-179.651.2-103.7000114.9F67 I78 G80 I89 I104 L106F67-F82 HydrophobicContact CZ-CE1 4.26Å; I78-F82 HydrophobicContact CD1-CZ 4.34Å; I78-F82 HydrophobicContact CG1-CZ 4.29Å; G80-F82 PolarHBondContact O-N 3.29Å; F82-I89 HydrophobicContact CD2-CD1 4.33Å; F82-I89 HydrophobicContact CE2-CD1 3.71Å; F82-I104 HydrophobicContact CD2-CD1 4.32Å; F82-I104 HydrophobicContact CD2-CG2 4.17Å; F82-I104 HydrophobicContact CE1-CD1 4.36Å; F82-I104 HydrophobicContact CE2-CD1 3.62Å; F82-I104 HydrophobicContact CE2-CG2 4.5Å; F82-I104 HydrophobicContact CG-CG2 4.43Å; F82-I104 HydrophobicContact CZ-CD1 3.63Å; F82-L106 HydrophobicContact CB-CD2 3.28Å; F82-L106 HydrophobicContact CD1-CD1 4.38Å; F82-L106 HydrophobicContact CD1-CD2 3.6Å; F82-L106 HydrophobicContact CD2-CD2 4.47Å; F82-L106 HydrophobicContact CG-CD2 3.54Å
83N93.2Very high95.3Very high27 Ų2763.7 Ų63.714%0.14432%0.32CS..G310 helixtrans-114.116.3172.573-16000112.3S79 G80 T81 W85 R86 S87S79-N83 PolarHBondContact OG-OD1 3.1Å; G80-N83 PolarHBondContact N-OD1 3.13Å; G80-N83 PolarHBondContact O-N 3.46Å; G80-N83 PolarHBondContact O-OD1 3.05Å; T81-N83 VanDerWaalsContact C-N 3.26Å; T81-N83 PolarHBondContact O-N 3.32Å; N83-W85 PolarHBondContact O-N 3.22Å; N83-W85 VanDerWaalsContact O-N 3.15Å; N83-W85 PolarHBondContact OD1-N 3.09Å; N83-R86 PolarHBondContact O-N 3.26Å; N83-R86 VanDerWaalsContact O-N 3.17Å; N83-S87 PolarHBondContact ND2-O 3.09Å; N83-S87 PolarHBondContact ND2-OG 3.01Å
84G94.3Very high95.2Very high28 Ų2864 Ų6429%0.28932%0.318SS..THydrogen-bonded Turntrans57.225.2-178.400000113.8G80 T81 R86G80-G84 PolarHBondContact O-N 3.39Å; T81-G84 PolarHBondContact O-N 3.48Å; G84-R86 PolarHBondContact O-N 3.32Å
85W94.3Very high94.6Very high91 Ų9162.4 Ų62.435%0.34533%0.328SS..THydrogen-bonded Turntrans5815.7-175.7-52.895.7000114.9S79 G80 T81 N83 Q112 K114 W121 N138S79-W85 WeakPolarHBondContact O-CZ3 3.5Å; G80-W85 PolarHBondContact O-N 3.31Å; T81-W85 HydrophobicContact CG2-CZ2 4.39Å; N83-W85 PolarHBondContact O-N 3.22Å; N83-W85 VanDerWaalsContact O-N 3.15Å; N83-W85 PolarHBondContact OD1-N 3.09Å; W85-Q112 HydrophobicContact CZ2-CB 4.07Å; W85-Q112 WeakPolarHBondContact CZ2-O 3.1Å; W85-K114 HydrophobicContact CH2-CB 4.22Å; W85-K114 HydrophobicContact CZ3-CB 3.92Å; W85-W121 HydrophobicContact CE3-CH2 4.46Å; W85-W121 HydrophobicContact CZ3-CZ3 4.3Å; W85-N138 HydrophobicContact CH2-CB 4.34Å
86R91.5Very high93.7Very high220 Ų22062.8 Ų62.883%0.8334%0.338SS*.  trans-83-25.1-172.5-74.4-177.7-98.8-99.34.4113.6N83 G84N83-R86 PolarHBondContact O-N 3.26Å; N83-R86 VanDerWaalsContact O-N 3.17Å; G84-R86 PolarHBondContact O-N 3.32Å
87S93Very high92.6Very high64 Ų6469.1 Ų69.145%0.44837%0.366SS..SBendtrans-135164.2-176.265.50000111.6S79 N83S79-S87 WeakPolarHBondContact CB-O 3.43Å; S79-S87 PolarHBondContact OG-O 2.88Å; N83-S87 PolarHBondContact ND2-O 3.09Å; N83-S87 PolarHBondContact ND2-OG 3.01Å
88K95.6Very high91.8Very high117 Ų11773.6 Ų73.651%0.50939%0.388SS..  trans-105.5124.2170.163.3180-177.5169.50108.5Y77 I116Y77-K88 HydrophobicContact CD1-CB 3.94Å; Y77-K88 HydrophobicContact CD1-CD 3.76Å; Y77-K88 HydrophobicContact CD1-CG 3.69Å; Y77-K88 HydrophobicContact CD2-CD 4.03Å; Y77-K88 HydrophobicContact CE1-CD 3.89Å; Y77-K88 HydrophobicContact CE1-CG 4.1Å; Y77-K88 HydrophobicContact CE2-CD 4.11Å; Y77-K88 HydrophobicContact CG-CB 3.95Å; Y77-K88 HydrophobicContact CG-CD 3.86Å; Y77-K88 HydrophobicContact CG-CG 4.06Å; K88-I116 HydrophobicContact CB-CD1 3.74Å
89I97.3Very high91.5Very high43 Ų4375.1 Ų75.122%0.22140%0.396CS..EExtended strand (participates in β ladder)trans-93.7119.3178.5-58.2178.4000107.6Y77 I78 F82 I104Y77-I89 CarbonylContact C-O 3.58Å; Y77-I89 WeakPolarHBondContact CA-O 3.25Å; Y77-I89 WeakPolarHBondContact CB-O 3.12Å; I78-I89 HydrophobicContact CG2-CB 3.9Å; I78-I89 HydrophobicContact CG2-CG2 4.35Å; I78-I89 PolarHBondContact N-O 3.36Å; I78-I89 PolarHBondContact O-N 3Å; F82-I89 HydrophobicContact CD2-CD1 4.33Å; F82-I89 HydrophobicContact CE2-CD1 3.71Å; I89-I104 HydrophobicContact CD1-CD1 3.87Å
90P97.2Very high91.4Very high84 Ų8475.2 Ų75.255%0.54540%0.396SS..EExtended strand (participates in β ladder)trans-67.8138.4-178.928-33.7000111.1Y77Y77-P90 VanDerWaalsContact CD1-CA 3.5Å; Y77-P90 HydrophobicContact CD1-CB 3.94Å; Y77-P90 HydrophobicContact CE1-CB 3.94Å
91M97.5Very high91.4Very high16 Ų1680.4 Ų80.48%0.07942%0.416CS..PPolyproline II helixtrans-98.2143.9175.9-61.2-177.969.900111.1W69 V76 I78 F100 T102 F115W69-M91 HydrophobicContact CB-CE 3.99Å; W69-M91 HydrophobicContact CB-SD 4.37Å; V76-M91 HydrophobicContact CB-CB 4.39Å; V76-M91 HydrophobicContact CG1-CB 4.29Å; V76-M91 HydrophobicContact CG1-CG 4.28Å; V76-M91 HydrophobicContact CG1-SD 3.54Å; V76-M91 VanDerWaalsContact CG1-SD 3.54Å; V76-M91 PolarHBondContact O-N 3.14Å; I78-M91 HydrophobicContact CB-SD 4.21Å; I78-M91 HydrophobicContact CG2-CG 4.3Å; M91-F100 HydrophobicContact CB-CB 3.93Å; M91-F100 HydrophobicContact CE-CB 4.13Å; M91-F100 WeakPolarHBondContact CE-O 3.47Å; M91-T102 HydrophobicContact CG-CG2 4.21Å; M91-F115 HydrophobicContact CE-CD1 4.28Å; M91-F115 HydrophobicContact CE-CE1 3.68Å; M91-F115 HydrophobicContact SD-CD1 3.54Å; M91-F115 VanDerWaalsContact SD-CD1 3.54Å; M91-F115 HydrophobicContact SD-CE1 3.53Å; M91-F115 VanDerWaalsContact SD-CE1 3.53Å
92V95.5Very high91.4Very high81 Ų8178.5 Ų78.549%0.49141%0.405SS..EExtended strand (participates in β ladder)trans-82.7128.2178.4-179.40000109.3F100 Y101V92-F100 CarbonylContact O-C 3.55Å; V92-F100 VanDerWaalsContact O-CA 3.25Å; V92-F100 WeakPolarHBondContact O-CA 3.32Å; V92-Y101 HydrophobicContact CB-CE1 4.47Å; V92-Y101 HydrophobicContact CB-CE2 4.43Å; V92-Y101 HydrophobicContact CG1-CE1 4.34Å; V92-Y101 PolarHBondContact N-O 2.75Å; V92-Y101 PolarHBondContact O-N 3.46Å
93K94.6Very high91.5Very high107 Ų10780.9 Ų80.947%0.46542%0.419SS..EExtended strand (participates in β ladder)trans-77.9130.8174.2-168.6174.8-177.6171.70110.4F100K93-F100 HydrophobicContact CB-CD1 3.8Å; K93-F100 HydrophobicContact CB-CE1 3.53Å; K93-F100 HydrophobicContact CB-CZ 4.09Å; K93-F100 HydrophobicContact CD-CE1 3.93Å; K93-F100 HydrophobicContact CD-CE2 4.47Å; K93-F100 HydrophobicContact CD-CZ 3.69Å; K93-F100 HydrophobicContact CG-CD1 4.19Å; K93-F100 HydrophobicContact CG-CE1 3.71Å; K93-F100 HydrophobicContact CG-CE2 4.22Å; K93-F100 HydrophobicContact CG-CZ 3.71Å
94S89.2Confident91.6Very high32 Ų3280.6 Ų80.622%0.22442%0.417CS..PPolyproline II helixtrans-69.6136.7171.9-174.80000110.8S96 N99S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 2.83Å; S94-N99 WeakPolarHBondContact CB-O 3.49Å; S94-N99 PolarHBondContact N-O 3.41Å
95S80.4Confident91.6Very high138 Ų13884.5 Ų84.597%0.96543%0.431SS*.SBendtrans-72.1-23179.4-54.50000113.6
96S75.9Confident91.6Very high103 Ų10380.1 Ų80.172%0.7242%0.415SS*.SBendtrans-103.6-20.6-173.659.90000114S94S94-S96 VanDerWaalsContact C-N 3.3Å; S94-S96 PolarHBondContact O-N 2.83Å
97K73.2Confident91.8Very high138 Ų13871.7 Ų71.760%0.639%0.389SS*.SBendtrans-135.5151.1-176.3-65.9-178179.1179.50109.4N99K97-N99 HydrophobicContact CB-CB 4.43Å; K97-N99 PolarHBondContact O-N 2.8Å
98H82.5Confident91.8Very high143 Ų14372.3 Ų72.366%0.66239%0.386SS*.SBendtrans-73.232.7177.8-66.7-61.8000113.7G72G72-H98 WeakPolarHBondContact CA-O 3.44Å
99N90.8Very high91.7Very high32 Ų3267.8 Ų67.817%0.17137%0.373CS..  trans-112.2150.7-170.9-50.721.8000108.5W69 D70 S94 K97W69-N99 CarbonylContact O-C 3.56Å; W69-N99 VanDerWaalsContact O-CA 3.28Å; W69-N99 WeakPolarHBondContact O-CA 3.42Å; D70-N99 VanDerWaalsContact CG-ND2 3.34Å; D70-N99 WeakPolarHBondContact OD1-CB 3.45Å; D70-N99 PolarHBondContact OD1-ND2 2.84Å; S94-N99 WeakPolarHBondContact CB-O 3.49Å; S94-N99 PolarHBondContact N-O 3.41Å; K97-N99 HydrophobicContact CB-CB 4.43Å; K97-N99 PolarHBondContact O-N 2.8Å
100F96.1Very high91.7Very high5 Ų571 Ų712%0.02239%0.387CS..EExtended strand (participates in β ladder)trans-120.1147-179.1-65.4-105.4000109.1K68 W69 G73 V76 M91 V92 K93K68-F100 CarbonylContact C-O 3.55Å; K68-F100 WeakPolarHBondContact CA-O 3.44Å; W69-F100 HydrophobicContact CB-CB 4.3Å; W69-F100 PolarHBondContact N-O 2.86Å; W69-F100 PolarHBondContact O-N 3.35Å; G73-F100 VanDerWaalsContact O-CZ 3.29Å; G73-F100 WeakPolarHBondContact O-CZ 3.4Å; V76-F100 HydrophobicContact CB-CB 4.22Å; V76-F100 HydrophobicContact CB-CD1 3.68Å; V76-F100 HydrophobicContact CB-CD2 4.32Å; V76-F100 HydrophobicContact CB-CE1 4.03Å; V76-F100 HydrophobicContact CB-CG 3.83Å; V76-F100 HydrophobicContact CG1-CB 4.19Å; V76-F100 HydrophobicContact CG1-CG 4.27Å; V76-F100 HydrophobicContact CG2-CB 4.5Å; V76-F100 HydrophobicContact CG2-CD1 3.7Å; V76-F100 HydrophobicContact CG2-CD2 3.7Å; V76-F100 HydrophobicContact CG2-CE1 3.67Å; V76-F100 HydrophobicContact CG2-CE2 3.7Å; V76-F100 HydrophobicContact CG2-CG 3.71Å; V76-F100 HydrophobicContact CG2-CZ 3.67Å; M91-F100 HydrophobicContact CB-CB 3.93Å; M91-F100 HydrophobicContact CE-CB 4.13Å; M91-F100 WeakPolarHBondContact CE-O 3.47Å; V92-F100 CarbonylContact O-C 3.55Å; V92-F100 VanDerWaalsContact O-CA 3.25Å; V92-F100 WeakPolarHBondContact O-CA 3.32Å; K93-F100 HydrophobicContact CB-CD1 3.8Å; K93-F100 HydrophobicContact CB-CE1 3.53Å; K93-F100 HydrophobicContact CB-CZ 4.09Å; K93-F100 HydrophobicContact CD-CE1 3.93Å; K93-F100 HydrophobicContact CD-CE2 4.47Å; K93-F100 HydrophobicContact CD-CZ 3.69Å; K93-F100 HydrophobicContact CG-CD1 4.19Å; K93-F100 HydrophobicContact CG-CE1 3.71Å; K93-F100 HydrophobicContact CG-CE2 4.22Å; K93-F100 HydrophobicContact CG-CZ 3.71Å
101Y96.2Very high91.7Very high108 Ų10867.8 Ų67.842%0.42437%0.365SS..EExtended strand (participates in β ladder)trans-145158.5177.564.3-85.2000112.6F67 V92F67-Y101 CarbonylContact O-C 3.56Å; F67-Y101 WeakPolarHBondContact O-CA 3.46Å; V92-Y101 HydrophobicContact CB-CE1 4.47Å; V92-Y101 HydrophobicContact CB-CE2 4.43Å; V92-Y101 HydrophobicContact CG1-CE1 4.34Å; V92-Y101 PolarHBondContact N-O 2.75Å; V92-Y101 PolarHBondContact O-N 3.46Å
102T96.6Very high91.7Very high20 Ų2069.5 Ų69.512%0.12337%0.372CS..EExtended strand (participates in β ladder)trans-148.3158.8165.1-169.60000109.2F67 I78 M91 I104F67-T102 HydrophobicContact CB-CG2 4.09Å; F67-T102 PolarHBondContact N-O 3.38Å; F67-T102 PolarHBondContact O-N 3.24Å; I78-T102 HydrophobicContact CG2-CG2 3.75Å; M91-T102 HydrophobicContact CG-CG2 4.21Å; T102-I104 HydrophobicContact CG2-CD1 4.03Å; T102-I104 HydrophobicContact CG2-CG1 4.04Å
103I95.9Very high91.9Very high102 Ų10265.9 Ų65.952%0.52335%0.35SS..EExtended strand (participates in β ladder)trans-114.3130.5173.2-55.1178.4000106.7P64 T65 V66P64-I103 HydrophobicContact CB-CG2 3.82Å; T65-I103 WeakPolarHBondContact O-CA 3.44Å; V66-I103 HydrophobicContact CG2-CG1 4.3Å
104I95.8Very high92Very high21 Ų2162.6 Ų62.611%0.10834%0.335CS..EExtended strand (participates in β ladder)trans-130.2127.4179.5-56.5176.2000107.4T65 F67 I78 F82 I89 T102 L106T65-I104 WeakPolarHBondContact CB-O 3.38Å; T65-I104 PolarHBondContact N-O 2.97Å; T65-I104 PolarHBondContact O-N 2.93Å; F67-I104 HydrophobicContact CD2-CB 4.33Å; F67-I104 HydrophobicContact CD2-CD1 3.97Å; F67-I104 HydrophobicContact CD2-CG1 4.19Å; F67-I104 HydrophobicContact CE2-CB 4.15Å; F67-I104 HydrophobicContact CE2-CD1 4.15Å; F67-I104 HydrophobicContact CE2-CG1 4.42Å; I78-I104 HydrophobicContact CG2-CD1 4.03Å; F82-I104 HydrophobicContact CD2-CD1 4.32Å; F82-I104 HydrophobicContact CD2-CG2 4.17Å; F82-I104 HydrophobicContact CE1-CD1 4.36Å; F82-I104 HydrophobicContact CE2-CD1 3.62Å; F82-I104 HydrophobicContact CE2-CG2 4.5Å; F82-I104 HydrophobicContact CG-CG2 4.43Å; F82-I104 HydrophobicContact CZ-CD1 3.63Å; I89-I104 HydrophobicContact CD1-CD1 3.87Å; T102-I104 HydrophobicContact CG2-CD1 4.03Å; T102-I104 HydrophobicContact CG2-CG1 4.04Å; I104-L106 HydrophobicContact CB-CD2 4.48Å; I104-L106 HydrophobicContact CG2-CD2 3.67Å; I104-L106 HydrophobicContact CG2-CG 4.17Å; I104-L106 PolarHBondContact O-N 3.09Å
105D94.4Very high92.4Very high109 Ų10961 Ų6158%0.58333%0.325SS*.EExtended strand (participates in β ladder)trans-73.9118.7172.6-63.3-31.7000109V63 P64V63-D105 WeakPolarHBondContact O-CA 3.32Å; P64-D105 VanDerWaalsContact CA-OD1 3.31Å; P64-D105 WeakPolarHBondContact CA-OD1 3.31Å
106L95.2Very high93.3Very high0 Ų055.4 Ų55.40%028%0.284CS..EExtended strand (participates in β ladder)trans-120.9137.7-176.3-66.3-174.3000111.2S62 V63 T65 F67 F82 I104 H111 V143S62-L106 CarbonylContact C-O 3.53Å; S62-L106 VanDerWaalsContact CA-O 3.26Å; S62-L106 WeakPolarHBondContact CA-O 3.3Å; V63-L106 WeakPolarHBondContact CG2-O 3.4Å; V63-L106 PolarHBondContact N-O 3.14Å; V63-L106 PolarHBondContact O-N 3.34Å; T65-L106 HydrophobicContact CG2-CD1 4.08Å; F67-L106 HydrophobicContact CE2-CD1 3.74Å; F67-L106 HydrophobicContact CZ-CD1 3.63Å; F82-L106 HydrophobicContact CB-CD2 3.28Å; F82-L106 HydrophobicContact CD1-CD1 4.38Å; F82-L106 HydrophobicContact CD1-CD2 3.6Å; F82-L106 HydrophobicContact CD2-CD2 4.47Å; F82-L106 HydrophobicContact CG-CD2 3.54Å; I104-L106 HydrophobicContact CB-CD2 4.48Å; I104-L106 HydrophobicContact CG2-CD2 3.67Å; I104-L106 HydrophobicContact CG2-CG 4.17Å; I104-L106 PolarHBondContact O-N 3.09Å; L106-H111 HydrophobicContact CD1-CB 4.24Å; L106-V143 HydrophobicContact CB-CG2 4.18Å; L106-V143 HydrophobicContact CD1-CG2 4.1Å
107P94.5Very high94.3Very high43 Ų4350.6 Ų50.628%0.27925%0.25SC..EExtended strand (participates in β ladder)trans-53.1152.8163.4-3038.1000112.6V60 H111V60-P107 HydrophobicContact CG1-CB 3.54Å; V60-P107 HydrophobicContact CG1-CG 3.77Å; P107-H111 PolarHBondContact O-NE2 3.4Å
108L93.3Very high95.4Very high77 Ų7747.4 Ų47.440%0.40324%0.239SC..SBendtrans-57.5139.9167.1-58-175.6000110.6V63 V143 E145V63-L108 HydrophobicContact CG2-CD2 4.09Å; L108-V143 HydrophobicContact CD2-CG1 4.04Å; L108-E145 HydrophobicContact CD1-CB 4.18Å
109G94.9Very high96Very high21 Ų2143.6 Ų43.622%0.21624%0.238CC..EExtended strand (participates in β ladder)trans130.1-170.4-179.600000114.4Q142 V143G109-Q142 VanDerWaalsContact C-NE2 3.33Å; G109-V143 PolarHBondContact N-O 3.11Å; G109-V143 PolarHBondContact O-N 3.08Å
110E97Very high96.3Very high111 Ų11148.1 Ų48.152%0.51926%0.258SS..EExtended strand (participates in β ladder)trans-82.9132.4177.2-171.6-176112.200110.4Q112 V140 I141E110-Q112 PolarHBondContact OE1-NE2 3.32Å; E110-V140 HydrophobicContact CG-CG2 3.33Å; E110-I141 WeakPolarHBondContact CA-O 3.43Å
111H97.2Very high96.4Very high17 Ų1754.3 Ų54.38%0.07928%0.282CS..EExtended strand (participates in β ladder)trans-127.5135.3170.9-62.2-87.3000110.6T81 L106 P107 V140 I141T81-H111 WeakPolarHBondContact OG1-CA 3.15Å; L106-H111 HydrophobicContact CD1-CB 4.24Å; P107-H111 PolarHBondContact O-NE2 3.4Å; H111-V140 WeakPolarHBondContact O-CA 3.38Å; H111-I141 HydrophobicContact CB-CG2 3.96Å; H111-I141 PolarHBondContact N-O 3.18Å; H111-I141 PolarHBondContact O-N 3.07Å
112Q97.6Very high96.4Very high51 Ų5153.2 Ų53.224%0.23828%0.279CS..EExtended strand (participates in β ladder)trans-102.2140.8173.9-62.2-178.918.800109.9G80 T81 W85 E110 N138 N139G80-Q112 CarbonylContact C-O 3.56Å; G80-Q112 WeakPolarHBondContact CA-O 3.49Å; T81-Q112 HydrophobicContact CG2-CB 3.89Å; T81-Q112 PolarHBondContact N-O 2.98Å; T81-Q112 PolarHBondContact OG1-N 3.14Å; T81-Q112 VanDerWaalsContact OG1-N 3.13Å; T81-Q112 PolarHBondContact OG1-O 2.85Å; W85-Q112 HydrophobicContact CZ2-CB 4.07Å; W85-Q112 WeakPolarHBondContact CZ2-O 3.1Å; E110-Q112 PolarHBondContact OE1-NE2 3.32Å; Q112-N138 HydrophobicContact CB-CB 4.12Å; Q112-N138 PolarHBondContact OE1-ND2 2.93Å; Q112-N139 CarbonylContact C-O 3.54Å; Q112-N139 VanDerWaalsContact CA-O 3.29Å; Q112-N139 WeakPolarHBondContact CA-O 3.41Å
113Y98.2Very high96.4Very high6 Ų654.1 Ų54.12%0.02428%0.283CS..EExtended strand (participates in β ladder)trans-147.5163.3-17769.4-81.4000111.5F67 I78 S79 F115 N139 I141F67-Y113 HydrophobicContact CD1-CD1 4.36Å; F67-Y113 AromaticContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CD2 3.92Å; F67-Y113 HydrophobicContact CD1-CE1 4.33Å; F67-Y113 AromaticContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CE2 3.87Å; F67-Y113 HydrophobicContact CD1-CG 4.15Å; F67-Y113 AromaticContact CE1-CD1 3.64Å; F67-Y113 HydrophobicContact CE1-CD1 3.64Å; F67-Y113 AromaticContact CE1-CD2 3.98Å; F67-Y113 HydrophobicContact CE1-CD2 3.98Å; F67-Y113 AromaticContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE1 3.79Å; F67-Y113 HydrophobicContact CE1-CE2 4.11Å; F67-Y113 AromaticContact CE1-CG 3.73Å; F67-Y113 HydrophobicContact CE1-CG 3.73Å; I78-Y113 HydrophobicContact CD1-CD2 3.71Å; I78-Y113 HydrophobicContact CD1-CE2 4.48Å; I78-Y113 HydrophobicContact CD1-CG 4.21Å; I78-Y113 HydrophobicContact CG1-CD2 4.25Å; S79-Y113 CarbonylContact O-C 3.48Å; S79-Y113 VanDerWaalsContact O-CA 3.29Å; S79-Y113 WeakPolarHBondContact O-CA 3.46Å; Y113-F115 HydrophobicContact CD2-CE2 4.12Å; Y113-F115 HydrophobicContact CD2-CZ 4.19Å; Y113-F115 HydrophobicContact CE2-CD2 4.4Å; Y113-F115 AromaticContact CE2-CE2 3.55Å; Y113-F115 HydrophobicContact CE2-CE2 3.55Å; Y113-F115 AromaticContact CE2-CZ 3.69Å; Y113-F115 HydrophobicContact CE2-CZ 3.69Å; Y113-N139 HydrophobicContact CD1-CB 3.94Å; Y113-N139 HydrophobicContact CD2-CB 4.04Å; Y113-N139 HydrophobicContact CE1-CB 3.49Å; Y113-N139 VanDerWaalsContact CE1-CB 3.49Å; Y113-N139 HydrophobicContact CE2-CB 3.59Å; Y113-N139 HydrophobicContact CG-CB 4.21Å; Y113-N139 PolarHBondContact N-O 3.05Å; Y113-N139 PolarHBondContact O-N 3.35Å; Y113-I141 HydrophobicContact CD1-CG2 4.21Å; Y113-I141 HydrophobicContact CE1-CB 4.11Å; Y113-I141 HydrophobicContact CE1-CG2 4.16Å
114K97.8Very high96.5Very high37 Ų3749.9 Ų49.916%0.16126%0.261CS..EExtended strand (participates in β ladder)trans-151.3147174.6-158.9168.6-168.7164.20110.3S79 W85 W121 K122 L123 Q137S79-K114 PolarHBondContact N-O 2.99Å; S79-K114 PolarHBondContact O-N 2.91Å; W85-K114 HydrophobicContact CH2-CB 4.22Å; W85-K114 HydrophobicContact CZ3-CB 3.92Å; K114-W121 HydrophobicContact CB-CE3 3.79Å; K114-W121 HydrophobicContact CB-CZ3 3.93Å; K114-W121 HydrophobicContact CD-CB 4.14Å; K114-W121 HydrophobicContact CD-CD2 4.43Å; K114-W121 HydrophobicContact CD-CE3 3.83Å; K114-W121 HydrophobicContact CG-CE3 3.8Å; K114-W121 HydrophobicContact CG-CZ3 4.44Å; K114-K122 WeakPolarHBondContact CG-O 3.18Å; K114-L123 HydrophobicContact CD-CD2 4.34Å; K114-L123 HydrophobicContact CG-CD2 4.15Å; K114-Q137 WeakPolarHBondContact CE-O 3.35Å; K114-Q137 PolarHBondContact NZ-O 3.42Å
115F98.2Very high96.4Very high0 Ų057.6 Ų57.60%030%0.297CS..EExtended strand (participates in β ladder)trans-88.7148177.1-62.1-77.2000110.8K68 W69 Y77 I78 M91 Y113 V117 W121 K122 D124K68-F115 WeakPolarHBondContact O-CZ 3.33Å; W69-F115 HydrophobicContact CB-CD1 4.12Å; W69-F115 HydrophobicContact CB-CE1 3.97Å; W69-F115 HydrophobicContact CB-CZ 4.28Å; W69-F115 HydrophobicContact CD2-CD2 4.36Å; W69-F115 HydrophobicContact CD2-CG 4.27Å; W69-F115 HydrophobicContact CE3-CB 4.17Å; W69-F115 HydrophobicContact CE3-CD1 4.37Å; W69-F115 AromaticContact CE3-CD2 3.4Å; W69-F115 HydrophobicContact CE3-CD2 3.4Å; W69-F115 VanDerWaalsContact CE3-CD2 3.4Å; W69-F115 AromaticContact CE3-CE2 3.78Å; W69-F115 HydrophobicContact CE3-CE2 3.78Å; W69-F115 AromaticContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CG 3.72Å; W69-F115 HydrophobicContact CE3-CZ 4.41Å; W69-F115 HydrophobicContact CZ3-CB 4.45Å; W69-F115 AromaticContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CD2 3.8Å; W69-F115 HydrophobicContact CZ3-CE2 4.39Å; W69-F115 HydrophobicContact CZ3-CG 4.31Å; Y77-F115 CarbonylContact O-C 3.54Å; Y77-F115 WeakPolarHBondContact O-CA 3.49Å; I78-F115 HydrophobicContact CB-CD1 4.21Å; I78-F115 HydrophobicContact CB-CE1 4.35Å; I78-F115 HydrophobicContact CD1-CE1 3.99Å; I78-F115 HydrophobicContact CD1-CZ 4.46Å; I78-F115 HydrophobicContact CG1-CD1 4.34Å; I78-F115 HydrophobicContact CG1-CE1 4.28Å; M91-F115 HydrophobicContact CE-CD1 4.28Å; M91-F115 HydrophobicContact CE-CE1 3.68Å; M91-F115 HydrophobicContact SD-CD1 3.54Å; M91-F115 VanDerWaalsContact SD-CD1 3.54Å; M91-F115 HydrophobicContact SD-CE1 3.53Å; M91-F115 VanDerWaalsContact SD-CE1 3.53Å; Y113-F115 HydrophobicContact CD2-CE2 4.12Å; Y113-F115 HydrophobicContact CD2-CZ 4.19Å; Y113-F115 HydrophobicContact CE2-CD2 4.4Å; Y113-F115 AromaticContact CE2-CE2 3.55Å; Y113-F115 HydrophobicContact CE2-CE2 3.55Å; Y113-F115 AromaticContact CE2-CZ 3.69Å; Y113-F115 HydrophobicContact CE2-CZ 3.69Å; F115-V117 HydrophobicContact CB-CG2 4.15Å; F115-W121 CarbonylContact O-C 3.44Å; F115-W121 WeakPolarHBondContact O-CA 3.41Å; F115-K122 PolarHBondContact N-O 2.95Å; F115-K122 PolarHBondContact O-N 2.6Å; F115-D124 HydrophobicContact CD2-CB 4.43Å; F115-D124 HydrophobicContact CE2-CB 3.92Å
116I98Very high96.3Very high20 Ų2058.9 Ų58.910%0.10330%0.304CS..EExtended strand (participates in β ladder)trans-117106.4170-53.1154.6000106V76 Y77 K88 H120 W121V76-I116 WeakPolarHBondContact CA-O 3.42Å; Y77-I116 PolarHBondContact N-O 3.49Å; Y77-I116 PolarHBondContact O-N 3.31Å; K88-I116 HydrophobicContact CB-CD1 3.74Å; I116-H120 CarbonylContact C-O 3.58Å; I116-H120 WeakPolarHBondContact CA-O 3.43Å; I116-W121 HydrophobicContact CD1-CE3 4.31Å; I116-W121 HydrophobicContact CD1-CH2 3.62Å; I116-W121 HydrophobicContact CD1-CZ2 3.94Å; I116-W121 HydrophobicContact CD1-CZ3 3.81Å; I116-W121 HydrophobicContact CG1-CD2 3.81Å; I116-W121 HydrophobicContact CG1-CE3 3.48Å; I116-W121 VanDerWaalsContact CG1-CE3 3.48Å; I116-W121 HydrophobicContact CG1-CH2 3.73Å; I116-W121 HydrophobicContact CG1-CZ2 3.99Å; I116-W121 HydrophobicContact CG1-CZ3 3.45Å; I116-W121 VanDerWaalsContact CG1-CZ3 3.45Å
117V97.1Very high96.3Very high1 Ų162.8 Ų62.81%0.00632%0.322CS..EExtended strand (participates in β ladder)trans-114.7116.8-174.7-178.80000108.3W69 V76 F115 G119 H120 K122W69-V117 HydrophobicContact CD2-CG2 4.22Å; W69-V117 HydrophobicContact CH2-CG2 4.44Å; W69-V117 HydrophobicContact CZ2-CG2 3.75Å; V76-V117 HydrophobicContact CG1-CG2 4.2Å; V76-V117 HydrophobicContact CG2-CG1 4.32Å; V76-V117 HydrophobicContact CG2-CG2 4.5Å; F115-V117 HydrophobicContact CB-CG2 4.15Å; V117-G119 PolarHBondContact O-N 2.84Å; V117-H120 PolarHBondContact N-O 3.09Å; V117-H120 PolarHBondContact O-N 2.89Å; V117-K122 HydrophobicContact CB-CD 3.85Å; V117-K122 HydrophobicContact CB-CG 4.32Å; V117-K122 HydrophobicContact CG1-CD 4.37Å; V117-K122 HydrophobicContact CG2-CB 4.32Å; V117-K122 HydrophobicContact CG2-CD 4.01Å; V117-K122 HydrophobicContact CG2-CG 4.37Å
118D96.1Very high96.4Very high72 Ų7264.4 Ų64.439%0.38533%0.333SS..THydrogen-bonded Turntrans50.143.3-178.2-56.9-35.8000111.9K74 D75 H120K74-D118 WeakPolarHBondContact CA-OD1 3.24Å; K74-D118 WeakPolarHBondContact CB-OD1 3.2Å; K74-D118 PolarHBondContact N-OD1 3.19Å; D75-D118 PolarHBondContact N-OD1 3.39Å; D75-D118 PolarHBondContact O-N 2.88Å; D118-H120 VanDerWaalsContact C-N 3.32Å; D118-H120 PolarHBondContact O-N 2.65Å; D118-H120 PolarHBondContact O-ND1 3.36Å
119G96.1Very high96.6Very high62 Ų6263.7 Ų63.764%0.63933%0.331SS*.THydrogen-bonded Turntrans82.4-3.9179.900000116V117V117-G119 PolarHBondContact O-N 2.84Å
120H97.3Very high96.6Very high128 Ų12864.6 Ų64.659%0.59333%0.334SS*.EExtended strand (participates in β ladder)trans-110.3134.7-176.5-59.781.4000111.7I116 V117 D118 K122I116-H120 CarbonylContact C-O 3.58Å; I116-H120 WeakPolarHBondContact CA-O 3.43Å; V117-H120 PolarHBondContact N-O 3.09Å; V117-H120 PolarHBondContact O-N 2.89Å; D118-H120 VanDerWaalsContact C-N 3.32Å; D118-H120 PolarHBondContact O-N 2.65Å; D118-H120 PolarHBondContact O-ND1 3.36Å; H120-K122 PolarHBondContact O-N 3.23Å
121W96.7Very high96.5Very high134 Ų13463 Ų6351%0.50833%0.333SS..EExtended strand (participates in β ladder)trans-69.5125.9174.5-68.898.6000111W85 K114 F115 I116W85-W121 HydrophobicContact CE3-CH2 4.46Å; W85-W121 HydrophobicContact CZ3-CZ3 4.3Å; K114-W121 HydrophobicContact CB-CE3 3.79Å; K114-W121 HydrophobicContact CB-CZ3 3.93Å; K114-W121 HydrophobicContact CD-CB 4.14Å; K114-W121 HydrophobicContact CD-CD2 4.43Å; K114-W121 HydrophobicContact CD-CE3 3.83Å; K114-W121 HydrophobicContact CG-CE3 3.8Å; K114-W121 HydrophobicContact CG-CZ3 4.44Å; F115-W121 CarbonylContact O-C 3.44Å; F115-W121 WeakPolarHBondContact O-CA 3.41Å; I116-W121 HydrophobicContact CD1-CE3 4.31Å; I116-W121 HydrophobicContact CD1-CH2 3.62Å; I116-W121 HydrophobicContact CD1-CZ2 3.94Å; I116-W121 HydrophobicContact CD1-CZ3 3.81Å; I116-W121 HydrophobicContact CG1-CD2 3.81Å; I116-W121 HydrophobicContact CG1-CE3 3.48Å; I116-W121 VanDerWaalsContact CG1-CE3 3.48Å; I116-W121 HydrophobicContact CG1-CH2 3.73Å; I116-W121 HydrophobicContact CG1-CZ2 3.99Å; I116-W121 HydrophobicContact CG1-CZ3 3.45Å; I116-W121 VanDerWaalsContact CG1-CZ3 3.45Å
122K97.2Very high96.2Very high85 Ų8564.1 Ų64.137%0.3734%0.342SS..EExtended strand (participates in β ladder)trans-132149-179.3-64.6-166.5-175.8176.10111.5W69 K114 F115 V117 H120W69-K122 HydrophobicContact CH2-CB 3.84Å; W69-K122 HydrophobicContact CH2-CD 4.04Å; W69-K122 HydrophobicContact CZ2-CB 4.44Å; W69-K122 HydrophobicContact CZ2-CD 3.96Å; W69-K122 HydrophobicContact CZ3-CB 4.38Å; K114-K122 WeakPolarHBondContact CG-O 3.18Å; F115-K122 PolarHBondContact N-O 2.95Å; F115-K122 PolarHBondContact O-N 2.6Å; V117-K122 HydrophobicContact CB-CD 3.85Å; V117-K122 HydrophobicContact CB-CG 4.32Å; V117-K122 HydrophobicContact CG1-CD 4.37Å; V117-K122 HydrophobicContact CG2-CB 4.32Å; V117-K122 HydrophobicContact CG2-CD 4.01Å; V117-K122 HydrophobicContact CG2-CG 4.37Å; H120-K122 PolarHBondContact O-N 3.23Å
123L97.1Very high95.9Very high39 Ų3968.7 Ų68.720%0.20438%0.376CS..  trans-99.3145.8169.3-65.3168.8000109K114 V129 Q137 N139K114-L123 HydrophobicContact CD-CD2 4.34Å; K114-L123 HydrophobicContact CG-CD2 4.15Å; L123-V129 HydrophobicContact CD1-CG1 4.27Å; L123-V129 HydrophobicContact CD1-CG2 4.46Å; L123-Q137 HydrophobicContact CD1-CB 3.73Å; L123-N139 VanDerWaalsContact CA-OD1 3.31Å; L123-N139 WeakPolarHBondContact CA-OD1 3.42Å; L123-N139 WeakPolarHBondContact CD2-OD1 3.5Å
124D96.1Very high95.7Very high14 Ų1474.2 Ų74.28%0.07541%0.411CS..  trans-79119.3161.3-173.3-10000108.5W69 F115 N126 Q127 N139W69-D124 HydrophobicContact CE3-CB 4.34Å; W69-D124 HydrophobicContact CZ3-CB 4.13Å; F115-D124 HydrophobicContact CD2-CB 4.43Å; F115-D124 HydrophobicContact CE2-CB 3.92Å; D124-N126 PolarHBondContact O-N 3.46Å; D124-N126 PolarHBondContact OD1-N 3.08Å; D124-Q127 HydrophobicContact CB-CB 4.16Å; D124-Q127 HydrophobicContact CB-CG 3.88Å; D124-Q127 PolarHBondContact O-N 2.75Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.38Å; D124-N139 PolarHBondContact N-OD1 3.05Å; D124-N139 PolarHBondContact O-ND2 2.85Å
125Q93.9Very high95.4Very high183 Ų18374.9 Ų74.986%0.85543%0.428SS*.THydrogen-bonded Turntrans-73.3-17.6-177.4-64.2178.71.600112.6Q127Q125-Q127 VanDerWaalsContact C-N 3.34Å
126N93.6Very high95.2Very high136 Ų13678.4 Ų78.473%0.72745%0.449SS*.THydrogen-bonded Turntrans-89.8-3.2179.1-58.9-41.6000112.8D124D124-N126 PolarHBondContact O-N 3.46Å; D124-N126 PolarHBondContact OD1-N 3.08Å
127Q95.3Very high95.1Very high81 Ų8181.7 Ų81.738%0.37946%0.464SS..SBendtrans-110.3150.6-177.7-63.7-63.4-32.400110.3D124 Q125D124-Q127 HydrophobicContact CB-CB 4.16Å; D124-Q127 HydrophobicContact CB-CG 3.88Å; D124-Q127 PolarHBondContact O-N 2.75Å; D124-Q127 WeakPolarHBondContact OD2-CG 3.38Å; Q125-Q127 VanDerWaalsContact C-N 3.34Å
128P96.4Very high95.1Very high78 Ų7882.7 Ų82.751%0.50647%0.469SS..  trans-53.1144.6174.1-27.236.6000112.4N139 V140P128-N139 CarbonylContact O-C 3.58Å; P128-N139 VanDerWaalsContact O-CA 3.26Å; P128-N139 WeakPolarHBondContact O-CA 3.26Å; P128-N139 PolarHBondContact O-ND2 3.08Å; P128-V140 HydrophobicContact CB-CG1 3.61Å; P128-V140 PolarHBondContact O-N 3.21Å
129V96.9Very high95.2Very high62 Ų6279.2 Ų79.238%0.37645%0.451SS..EExtended strand (participates in β ladder)trans-123.9132.5-179.5176.30000109.7L123 Q137 N138L123-V129 HydrophobicContact CD1-CG1 4.27Å; L123-V129 HydrophobicContact CD1-CG2 4.46Å; V129-Q137 HydrophobicContact CG1-CB 4.04Å; V129-N138 CarbonylContact C-O 3.56Å; V129-N138 WeakPolarHBondContact CA-O 3.4Å; V129-N138 WeakPolarHBondContact CG1-O 3.37Å
130S94.3Very high95.3Very high39 Ų3977.5 Ų77.527%0.27343%0.428SS..EExtended strand (participates in β ladder)trans-102.4138168.7-1760000109.7Q137 N138S130-Q137 WeakPolarHBondContact O-CA 3.3Å; S130-N138 PolarHBondContact N-O 3.1Å; S130-N138 PolarHBondContact O-N 3.45Å
131T95.4Very high95.3Very high79 Ų7973.4 Ų73.449%0.48541%0.41SS..EExtended strand (participates in β ladder)trans-118.7121178.9-56.40000109.5V136 Q137T131-V136 WeakPolarHBondContact CA-O 3.33Å; T131-Q137 HydrophobicContact CG2-CG 3.99Å; T131-Q137 PolarHBondContact OG1-NE2 3.38Å
132S90.9Very high95.2Very high40 Ų4071.5 Ų71.528%0.2841%0.406SS..  trans-71.3161.4176.374.60000111.7T134 G135 V136S132-T134 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact OG-N 2.67Å; S132-T134 PolarHBondContact OG-OG1 2.94Å; S132-G135 PolarHBondContact O-N 3.48Å; S132-V136 PolarHBondContact N-O 2.81Å; S132-V136 WeakPolarHBondContact OG-CB 3.42Å; S132-V136 PolarHBondContact OG-N 3.02Å; S132-V136 PolarHBondContact OG-O 2.84Å
133P92.2Very high95Very high147 Ų14767.6 Ų67.696%0.95539%0.39SS*.THydrogen-bonded Turntrans-57.4-21.9172.3-26.535.6000114.6G135P133-G135 VanDerWaalsContact C-N 3.3Å
134T93.1Very high94.7Very high122 Ų12271 Ų7175%0.74840%0.403SS*.THydrogen-bonded Turntrans-86.51.8176.454.90000113.4S132S132-T134 PolarHBondContact O-N 3.48Å; S132-T134 PolarHBondContact OG-N 2.67Å; S132-T134 PolarHBondContact OG-OG1 2.94Å
135G92.1Very high94.2Very high50 Ų5077 Ų7752%0.51543%0.431SS..SBendtrans847.318000000114.7S132 P133 Q137S132-G135 PolarHBondContact O-N 3.48Å; P133-G135 VanDerWaalsContact C-N 3.3Å; G135-Q137 PolarHBondContact O-N 2.89Å
136V93Very high93.5Very high74 Ų7469.5 Ų69.545%0.44840%0.398SS..  trans-76.2126.3176.81800000109.1T131 S132T131-V136 WeakPolarHBondContact CA-O 3.33Å; S132-V136 PolarHBondContact N-O 2.81Å; S132-V136 WeakPolarHBondContact OG-CB 3.42Å; S132-V136 PolarHBondContact OG-N 3.02Å; S132-V136 PolarHBondContact OG-O 2.84Å
137Q96.5Very high92.8Very high90 Ų9066.8 Ų66.842%0.42138%0.384SS..EExtended strand (participates in β ladder)trans-108.5132179.4-60.8-170.4-51.700111.7K114 L123 V129 S130 T131 G135K114-Q137 WeakPolarHBondContact CE-O 3.35Å; K114-Q137 PolarHBondContact NZ-O 3.42Å; L123-Q137 HydrophobicContact CD1-CB 3.73Å; V129-Q137 HydrophobicContact CG1-CB 4.04Å; S130-Q137 WeakPolarHBondContact O-CA 3.3Å; T131-Q137 HydrophobicContact CG2-CG 3.99Å; T131-Q137 PolarHBondContact OG1-NE2 3.38Å; G135-Q137 PolarHBondContact O-N 2.89Å
138N97.4Very high92.1Very high21 Ų2167 Ų6711%0.11238%0.383CS..EExtended strand (participates in β ladder)trans-134.1150.2176.3-64.1-33.9000109.9W85 Q112 V129 S130W85-N138 HydrophobicContact CH2-CB 4.34Å; Q112-N138 HydrophobicContact CB-CB 4.12Å; Q112-N138 PolarHBondContact OE1-ND2 2.93Å; V129-N138 CarbonylContact C-O 3.56Å; V129-N138 WeakPolarHBondContact CA-O 3.4Å; V129-N138 WeakPolarHBondContact CG1-O 3.37Å; S130-N138 PolarHBondContact N-O 3.1Å; S130-N138 PolarHBondContact O-N 3.45Å
139N98Very high91.4Very high0 Ų066.8 Ų66.80%038%0.378CS..EExtended strand (participates in β ladder)trans-70.1152.7166.8-70.4112.6000109.8Q112 Y113 L123 D124 P128Q112-N139 CarbonylContact C-O 3.54Å; Q112-N139 VanDerWaalsContact CA-O 3.29Å; Q112-N139 WeakPolarHBondContact CA-O 3.41Å; Y113-N139 HydrophobicContact CD1-CB 3.94Å; Y113-N139 HydrophobicContact CD2-CB 4.04Å; Y113-N139 HydrophobicContact CE1-CB 3.49Å; Y113-N139 VanDerWaalsContact CE1-CB 3.49Å; Y113-N139 HydrophobicContact CE2-CB 3.59Å; Y113-N139 HydrophobicContact CG-CB 4.21Å; Y113-N139 PolarHBondContact N-O 3.05Å; Y113-N139 PolarHBondContact O-N 3.35Å; L123-N139 VanDerWaalsContact CA-OD1 3.31Å; L123-N139 WeakPolarHBondContact CA-OD1 3.42Å; L123-N139 WeakPolarHBondContact CD2-OD1 3.5Å; D124-N139 PolarHBondContact N-OD1 3.05Å; D124-N139 PolarHBondContact O-ND2 2.85Å; P128-N139 CarbonylContact O-C 3.58Å; P128-N139 VanDerWaalsContact O-CA 3.26Å; P128-N139 WeakPolarHBondContact O-CA 3.26Å; P128-N139 PolarHBondContact O-ND2 3.08Å
140V97.5Very high90.6Very high25 Ų2568.8 Ų68.815%0.15239%0.39CS..EExtended strand (participates in β ladder)trans-128.6138.9-179.862.10000110.6E110 H111 P128E110-V140 HydrophobicContact CG-CG2 3.33Å; H111-V140 WeakPolarHBondContact O-CA 3.38Å; P128-V140 HydrophobicContact CB-CG1 3.61Å; P128-V140 PolarHBondContact O-N 3.21Å
141I96.5Very high89.9Confident42 Ų4273.2 Ų73.222%0.21541%0.41CS..EExtended strand (participates in β ladder)trans-129138.9172.9-172.9163.3000109.3T65 F67 E110 H111 Y113T65-I141 HydrophobicContact CG2-CD1 3.61Å; F67-I141 HydrophobicContact CE1-CG2 4.05Å; F67-I141 HydrophobicContact CZ-CG2 3.99Å; E110-I141 WeakPolarHBondContact CA-O 3.43Å; H111-I141 HydrophobicContact CB-CG2 3.96Å; H111-I141 PolarHBondContact N-O 3.18Å; H111-I141 PolarHBondContact O-N 3.07Å; Y113-I141 HydrophobicContact CD1-CG2 4.21Å; Y113-I141 HydrophobicContact CE1-CB 4.11Å; Y113-I141 HydrophobicContact CE1-CG2 4.16Å
142Q95.3Very high89.2Confident94 Ų9471.8 Ų71.844%0.43940%0.402SS..EExtended strand (participates in β ladder)trans-106.6113.6173.9-175.666.235.600108.6G109 K144G109-Q142 VanDerWaalsContact C-NE2 3.33Å; Q142-K144 HydrophobicContact CG-CG 4.05Å
143V94.2Very high88.7Confident4 Ų471 Ų712%0.02440%0.397CS..EExtended strand (participates in β ladder)trans-92.9119.7179.1-177.20000108.8V63 T65 L106 L108 G109 F148V63-V143 HydrophobicContact CG2-CG1 3.28Å; T65-V143 HydrophobicContact CG2-CG2 4.33Å; L106-V143 HydrophobicContact CB-CG2 4.18Å; L106-V143 HydrophobicContact CD1-CG2 4.1Å; L108-V143 HydrophobicContact CD2-CG1 4.04Å; G109-V143 PolarHBondContact N-O 3.11Å; G109-V143 PolarHBondContact O-N 3.08Å; V143-F148 HydrophobicContact CG1-CE2 4.09Å; V143-F148 HydrophobicContact CG1-CZ 4.45Å
144K89.7Confident88.3Confident110 Ų11069 Ų6948%0.47838%0.378SS..  trans-120.8155.7-178.5-58177.9-174.5172.90111Q142 S146 D147 F148Q142-K144 HydrophobicContact CG-CG 4.05Å; K144-S146 WeakPolarHBondContact CB-OG 3.32Å; K144-S146 PolarHBondContact O-N 3.45Å; K144-D147 PolarHBondContact N-OD2 3.1Å; K144-D147 WeakPolarHBondContact O-CB 3.43Å; K144-D147 PolarHBondContact O-N 2.86Å; K144-F148 VanDerWaalsContact O-CD2 3.31Å; K144-F148 WeakPolarHBondContact O-CD2 3.36Å; K144-F148 WeakPolarHBondContact O-CE2 3.35Å
145E85.5Confident87.8Confident140 Ų14066.3 Ų66.365%0.65436%0.364SS*.G310 helixtrans-61.4-35.5173.6-169.7176-171.400111.9L108 D147 F148L108-E145 HydrophobicContact CD1-CB 4.18Å; E145-D147 PolarHBondContact O-N 3.39Å; E145-D147 VanDerWaalsContact O-N 3.1Å; E145-F148 PolarHBondContact O-N 2.8Å; E145-F148 VanDerWaalsContact O-N 3.15Å
146S80.6Confident87.1Confident25 Ų2568.2 Ų68.218%0.17536%0.359CS..G310 helixtrans-57.5-24.117755.50000114.4K144 F148 A153K144-S146 WeakPolarHBondContact CB-OG 3.32Å; K144-S146 PolarHBondContact O-N 3.45Å; S146-F148 PolarHBondContact O-N 3Å; S146-A153 PolarHBondContact O-N 3.5Å
147D78.7Confident86.5Confident79 Ų7969.6 Ų69.642%0.42236%0.364SS..G310 helixtrans-75.3-12.9-175.9-54.4-24.7000111.8K144 E145K144-D147 PolarHBondContact N-OD2 3.1Å; K144-D147 WeakPolarHBondContact O-CB 3.43Å; K144-D147 PolarHBondContact O-N 2.86Å; E145-D147 PolarHBondContact O-N 3.39Å; E145-D147 VanDerWaalsContact O-N 3.1Å
148F79.4Confident85.8Confident85 Ų8570.5 Ų70.537%0.37337%0.37SS..THydrogen-bonded Turntrans-108.8-14.2-176-60.9-82.4000113.6V63 P64 V143 K144 E145 S146V63-F148 HydrophobicContact CB-CD1 4.04Å; V63-F148 HydrophobicContact CB-CD2 3.94Å; V63-F148 HydrophobicContact CB-CE1 3.57Å; V63-F148 HydrophobicContact CB-CE2 3.48Å; V63-F148 VanDerWaalsContact CB-CE2 3.48Å; V63-F148 HydrophobicContact CB-CG 4.22Å; V63-F148 HydrophobicContact CB-CZ 3.29Å; V63-F148 HydrophobicContact CG1-CD1 4.46Å; V63-F148 HydrophobicContact CG1-CD2 4.03Å; V63-F148 HydrophobicContact CG1-CE1 4.45Å; V63-F148 HydrophobicContact CG1-CE2 4.05Å; V63-F148 HydrophobicContact CG1-CG 4.27Å; V63-F148 HydrophobicContact CG1-CZ 4.27Å; V63-F148 HydrophobicContact CG2-CD2 3.97Å; V63-F148 HydrophobicContact CG2-CE1 4.04Å; V63-F148 HydrophobicContact CG2-CE2 3.16Å; V63-F148 HydrophobicContact CG2-CZ 3.21Å; P64-F148 HydrophobicContact CG-CE1 4.14Å; P64-F148 WeakPolarHBondContact O-CE1 3.5Å; V143-F148 HydrophobicContact CG1-CE2 4.09Å; V143-F148 HydrophobicContact CG1-CZ 4.45Å; K144-F148 VanDerWaalsContact O-CD2 3.31Å; K144-F148 WeakPolarHBondContact O-CD2 3.36Å; K144-F148 WeakPolarHBondContact O-CE2 3.35Å; E145-F148 PolarHBondContact O-N 2.8Å; E145-F148 VanDerWaalsContact O-N 3.15Å; S146-F148 PolarHBondContact O-N 3Å
149D81.7Confident85Confident75 Ų7572.1 Ų72.140%0.40139%0.386SS..SBendtrans-88.3111.9166.2179.161.8000109.8L151 T152 A153D149-L151 VanDerWaalsContact C-N 3.25Å; D149-L151 PolarHBondContact O-N 3.46Å; D149-T152 PolarHBondContact O-N 3.01Å; D149-T152 VanDerWaalsContact O-N 3.12Å; D149-T152 WeakPolarHBondContact OD2-CB 3.46Å; D149-T152 PolarHBondContact OD2-N 2.8Å; D149-T152 PolarHBondContact OD2-OG1 2.91Å; D149-A153 WeakPolarHBondContact O-CB 3.3Å; D149-A153 PolarHBondContact O-N 3.25Å
150V81.3Confident83.9Confident103 Ų10377.2 Ų77.262%0.62441%0.413SS*.Hα-helixtrans-57.7-39.2-172.6177.40000111.9L154V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.46Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 2.72Å
151L79.2Confident82.7Confident132 Ų13280.5 Ų80.569%0.69144%0.437SS*.Hα-helixtrans-70.1-43.2-179.7-62.5178.6000111D149 L154 S155D149-L151 VanDerWaalsContact C-N 3.25Å; D149-L151 PolarHBondContact O-N 3.46Å; L151-L154 PolarHBondContact O-N 3.12Å; L151-S155 WeakPolarHBondContact O-CB 3.38Å; L151-S155 PolarHBondContact O-N 3.03Å
152T81.3Confident81.1Confident50 Ų5086.8 Ų86.831%0.30746%0.458SS..Hα-helixtrans-65.8-44.6177.4-58.20000111.2D149 L154 S155 H156D149-T152 PolarHBondContact O-N 3.01Å; D149-T152 VanDerWaalsContact O-N 3.12Å; D149-T152 WeakPolarHBondContact OD2-CB 3.46Å; D149-T152 PolarHBondContact OD2-N 2.8Å; D149-T152 PolarHBondContact OD2-OG1 2.91Å; T152-L154 PolarHBondContact O-N 3.43Å; T152-S155 WeakPolarHBondContact CA-OG 3.18Å; T152-S155 PolarHBondContact O-N 3.17Å; T152-S155 VanDerWaalsContact O-N 3.16Å; T152-S155 PolarHBondContact O-OG 3.3Å; T152-H156 PolarHBondContact O-CD2 3.42Å; T152-H156 PolarHBondContact O-N 2.91Å
153A80.3Confident79.1Confident22 Ų2284.6 Ų84.618%0.18246%0.461CS..Hα-helixtrans-58.3-48.5174.900000111.6S146 D149 S155 H156 D157S146-A153 PolarHBondContact O-N 3.5Å; D149-A153 WeakPolarHBondContact O-CB 3.3Å; D149-A153 PolarHBondContact O-N 3.25Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 2.95Å; A153-H156 PolarHBondContact O-N 2.97Å; A153-D157 PolarHBondContact O-N 3.49Å
154L82.7Confident76.9Confident106 Ų10689.6 Ų89.656%0.55550%0.496SS*.Hα-helixtrans-61.3-37.5175.7-73.1172.6000112.3V150 L151 T152 D157 M158V150-L154 HydrophobicContact CG1-CD1 3.99Å; V150-L154 HydrophobicContact CG1-CG 4.46Å; V150-L154 WeakPolarHBondContact O-CB 3.48Å; V150-L154 WeakPolarHBondContact O-CG 3.41Å; V150-L154 PolarHBondContact O-N 2.72Å; L151-L154 PolarHBondContact O-N 3.12Å; T152-L154 PolarHBondContact O-N 3.43Å; L154-D157 PolarHBondContact O-N 2.91Å; L154-M158 VanDerWaalsContact O-CB 3.32Å; L154-M158 WeakPolarHBondContact O-CB 3.35Å; L154-M158 PolarHBondContact O-N 2.93Å
155S82.4Confident74.8Confident65 Ų6590.5 Ų90.546%0.45550%0.502SS..Hα-helixtrans-66.8-40.4176.978.60000112.3L151 T152 A153 M158 A159L151-S155 WeakPolarHBondContact O-CB 3.38Å; L151-S155 PolarHBondContact O-N 3.03Å; T152-S155 WeakPolarHBondContact CA-OG 3.18Å; T152-S155 PolarHBondContact O-N 3.17Å; T152-S155 VanDerWaalsContact O-N 3.16Å; T152-S155 PolarHBondContact O-OG 3.3Å; A153-S155 VanDerWaalsContact C-N 3.29Å; A153-S155 PolarHBondContact O-N 2.95Å; S155-M158 PolarHBondContact O-N 3.35Å; S155-A159 WeakPolarHBondContact O-CB 3.16Å; S155-A159 PolarHBondContact O-N 3.16Å
156H78.2Confident72.7Confident90 Ų9088.8 Ų88.842%0.41750%0.498SS..Hα-helixtrans-67.3-41175.2-82.7-61.8000111.8T152 A153 M158 A159 N160T152-H156 PolarHBondContact O-CD2 3.42Å; T152-H156 PolarHBondContact O-N 2.91Å; A153-H156 PolarHBondContact O-N 2.97Å; H156-M158 VanDerWaalsContact C-N 3.34Å; H156-A159 PolarHBondContact O-N 2.91Å; H156-N160 VanDerWaalsContact O-CB 3.3Å; H156-N160 WeakPolarHBondContact O-CB 3.36Å; H156-N160 PolarHBondContact O-N 3.39Å; H156-N160 PolarHBondContact O-ND2 3.39Å
157D80.6Confident70.7Confident103 Ų10399.6 Ų99.655%0.55154%0.535SS*.Hα-helixtrans-64.4-40.1175.3-73.9-14.2000111.6A153 L154 A159 S161A153-D157 PolarHBondContact O-N 3.49Å; L154-D157 PolarHBondContact O-N 2.91Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 2.67Å; D157-S161 WeakPolarHBondContact O-CB 3.43Å; D157-S161 PolarHBondContact O-N 3.42Å; D157-S161 PolarHBondContact O-OG 3.47Å
158M80.8Confident68.5Low110 Ų110101 Ų10154%0.54255%0.551SS.*Hα-helixtrans-66.8-35.1174.8-164.1-179.4-153.600112.2L154 S155 H156 S161 R162L154-M158 VanDerWaalsContact O-CB 3.32Å; L154-M158 WeakPolarHBondContact O-CB 3.35Å; L154-M158 PolarHBondContact O-N 2.93Å; S155-M158 PolarHBondContact O-N 3.35Å; H156-M158 VanDerWaalsContact C-N 3.34Å; M158-S161 WeakPolarHBondContact CA-OG 2.94Å; M158-S161 PolarHBondContact O-OG 3.01Å; M158-R162 WeakPolarHBondContact O-CG 3.34Å
159A80.1Confident66.4Low55 Ų55102.1 Ų102.146%0.45557%0.569SS.*Hα-helixtrans-73.8-43.5176.300000112.1S155 H156 D157 S161 R162 G163S155-A159 WeakPolarHBondContact O-CB 3.16Å; S155-A159 PolarHBondContact O-N 3.16Å; H156-A159 PolarHBondContact O-N 2.91Å; D157-A159 VanDerWaalsContact C-N 3.34Å; D157-A159 PolarHBondContact O-N 2.67Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.49Å; A159-R162 PolarHBondContact O-N 3.22Å; A159-R162 VanDerWaalsContact O-N 3.1Å; A159-G163 PolarHBondContact O-N 3.34Å
160N75.5Confident64.1Low106 Ų106104.4 Ų104.457%0.56759%0.585SS**Hα-helixtrans-66.1-36.3179.9-71.9-20.1000111.8H156 R162 G163H156-N160 VanDerWaalsContact O-CB 3.3Å; H156-N160 WeakPolarHBondContact O-CB 3.36Å; H156-N160 PolarHBondContact O-N 3.39Å; H156-N160 PolarHBondContact O-ND2 3.39Å; N160-R162 PolarHBondContact O-N 3.21Å; N160-G163 PolarHBondContact O-N 3.43Å
161S72.6Confident61.7Low94 Ų94104.2 Ų104.266%0.65759%0.589SS**Hα-helixtrans-67.2-23.9173.751.80000113.3D157 M158 A159D157-S161 WeakPolarHBondContact O-CB 3.43Å; D157-S161 PolarHBondContact O-N 3.42Å; D157-S161 PolarHBondContact O-OG 3.47Å; M158-S161 WeakPolarHBondContact CA-OG 2.94Å; M158-S161 PolarHBondContact O-OG 3.01Å; A159-S161 VanDerWaalsContact C-N 3.33Å; A159-S161 PolarHBondContact O-N 3.49Å
162R63.9Low59.4Low174 Ų174106.6 Ų106.666%0.65760%0.596SS**Hα-helixtrans-91.7-28.1175-70.6177.6173.3-178.4-2.2113.7M158 A159 N160M158-R162 WeakPolarHBondContact O-CG 3.34Å; A159-R162 PolarHBondContact O-N 3.22Å; A159-R162 VanDerWaalsContact O-N 3.1Å; N160-R162 PolarHBondContact O-N 3.21Å
163G53.4Low57.2Low49 Ų49109.2 Ų109.251%0.50562%0.623SS.*Hα-helixtrans-91.5-3.5-170.200000116.4A159 N160 E165A159-G163 PolarHBondContact O-N 3.34Å; N160-G163 PolarHBondContact O-N 3.43Å; G163-E165 VanDerWaalsContact C-N 3.33Å; G163-E165 PolarHBondContact O-N 2.8Å
164S48Very low55Low108 Ų108114.3 Ų114.376%0.75565%0.646SS**SBendtrans-81.9-1.7-174-162.60000115
165E44.5Very low52.6Low130 Ų130114.9 Ų114.961%0.60766%0.656SS**SBendtrans-117.9-8.7-174.7-66.3-163.615000117.3G163G163-E165 VanDerWaalsContact C-N 3.33Å; G163-E165 PolarHBondContact O-N 2.8Å
166D40.8Very low50.3Low104 Ų104120.7 Ų120.756%0.55667%0.673SS**  trans-139.472.9-175.9-86-39.2000114.6G228D166-G228 WeakPolarHBondContact OD2-CA 3.31Å
167R38.9Very low48.2Very low252 Ų252124.6 Ų124.695%0.95169%0.692SS**  trans-112.218.1167.9-95-169.8171.3-168.9-1.4114.9
168S33.7Very low46.3Very low109 Ų109127 Ų12776%0.76270%0.703SS**  trans-133.269.9178.261.50000113.6
169S34Very low44Very low108 Ų108128.2 Ų128.276%0.75571%0.712SS**  trans-16179.6156-179.20000108.1
170V33Very low42.2Very low122 Ų122133.4 Ų133.474%0.73973%0.732SS**  47.2100.4105.3-1780000112.5
171S32.2Very low40.4Very low100 Ų100131.8 Ų131.870%0.69974%0.74SS**  24.3114.8124.1-47.60000117.4
172Q30.9Very low38.7Very low182 Ų182135.7 Ų135.785%0.8575%0.745SS**  155.881.5127.2-84.8171.510.100109.3I174Q172-I174 PolarHBondContact O-N 2.57Å
173A34Very low37.7Very low105 Ų105133 Ų13387%0.86875%0.754SS**  trans-81103.8158.400000107.8
174I34Very low36.9Very low129 Ų129137.2 Ų137.266%0.66276%0.764SS**  trans-63.3125.5170.1-61.3176.8000108.3Q172 F176Q172-I174 PolarHBondContact O-N 2.57Å; I174-F176 HydrophobicContact CG2-CD2 4.47Å; I174-F176 PolarHBondContact O-N 3.12Å
175P32.9Very low36.9Very low118 Ų118136.9 Ų136.977%0.76677%0.768SS**  trans-79.5111.5169.22.214.7000108.8Q177P175-Q177 PolarHBondContact O-N 2.82Å
176F34.8Very low36.4Very low187 Ų187137.1 Ų137.182%0.8278%0.781SS**  trans-71117.8166.8-95.8-90.3000109.6I174I174-F176 HydrophobicContact CG2-CD2 4.47Å; I174-F176 PolarHBondContact O-N 3.12Å
177Q33.3Very low35.9Very low171 Ų171136 Ų13680%0.79979%0.794SS**  trans-71.1125.1172.3-62.9-165.2-74.500110.3P175P175-Q177 PolarHBondContact O-N 2.82Å
178I40.6Very low35.8Very low155 Ų155128.5 Ų128.580%0.79579%0.786SS**  trans-110.3113.3156-59.7-179.9000106
179N33.7Very low35.9Very low135 Ų135129.4 Ų129.472%0.72279%0.792SS**  trans-69.9122.9171-72.4-31000108.7
180D42.1Very low36Very low163 Ų163133.3 Ų133.387%0.87280%0.799SS**  trans-153.2143.9149.9-89-40000110.2
181G37.3Very low36.4Very low72 Ų72131.8 Ų131.874%0.74280%0.799SS**  trans-78143.9-151.800000118
182K36.4Very low36.3Very low176 Ų176136.2 Ų136.277%0.76581%0.808SS**  trans47.996.5131.6-162.978.1-178.5158.90118.3D184K182-D184 IonicContact NZ-OD2 3.14Å; K182-D184 PolarHBondContact NZ-OD2 2.79Å; K182-D184 VanDerWaalsContact NZ-OD2 3.14Å
183S43Very low36.8Very low119 Ų119134.7 Ų134.783%0.83280%0.804SS**  trans-161.1124.4133.357.50000110.9
184D37.7Very low36.9Very low136 Ų136134.9 Ų134.973%0.72780%0.797SS**  trans-75.8129.4-176.1-63.7-64.2000112.7K182K182-D184 IonicContact NZ-OD2 3.14Å; K182-D184 PolarHBondContact NZ-OD2 2.79Å; K182-D184 VanDerWaalsContact NZ-OD2 3.14Å
185A46.2Very low36.9Very low101 Ų101137.9 Ų137.984%0.83581%0.808SS**  trans-170127.6150.500000111.3
186P34.3Very low37.1Very low135 Ų135138.4 Ų138.488%0.87781%0.808SS**  trans-100.9145177.536-27.7000112.3
187G31.4Very low37.4Very low80 Ų80134.2 Ų134.283%0.82580%0.8SS**  trans124.1101.6153.200000116.4
188A37.3Very low37.7Very low96 Ų96131.4 Ų131.479%0.79380%0.799SS**  -177.2117.812900000108.2E190A188-E190 PolarHBondContact O-N 3.31Å
189S35.8Very low37.8Very low128 Ų128129.4 Ų129.490%0.89580%0.799SS**  trans-66.7106.1170.649.40000109.6
190E36Very low38.3Very low190 Ų190126.5 Ų126.589%0.88880%0.801SS**  trans-78.8124.6166.2-88.3-178.7134.900109.6A188A188-E190 PolarHBondContact O-N 3.31Å
191A40Very low38.6Very low90 Ų90122.2 Ų122.274%0.74478%0.784SS**  trans-61131.8178.700000111I193A191-I193 PolarHBondContact O-N 2.64Å
192E31.5Very low39.5Very low192 Ų192122.9 Ų122.990%0.89779%0.791SS**  trans-58.4103.9175.3-140.4173.5159.400109.8P194E192-P194 WeakPolarHBondContact O-CD 3.48Å
193I40.3Very low40.8Very low150 Ų150116.6 Ų116.677%0.76977%0.769SS**  trans-73.4123.1171.5-58.7175.7000107.1A191 H195A191-I193 PolarHBondContact O-N 2.64Å; I193-H195 PolarHBondContact O-N 2.85Å
194P36.1Very low41.9Very low109 Ų109116.1 Ų116.171%0.70876%0.763SS**  trans-60.3122177.2-20.331.4000110.5E192 V196E192-P194 WeakPolarHBondContact O-CD 3.48Å; P194-V196 PolarHBondContact O-N 2.96Å
195H34Very low43.4Very low192 Ų192113.5 Ų113.589%0.88975%0.754SS**  trans-57.7103.3172.3-92.3-65.4000110.2I193 P197I193-H195 PolarHBondContact O-N 2.85Å; H195-P197 WeakPolarHBondContact O-CD 3.35Å
196V36.5Very low44.6Very low129 Ų129111.9 Ų111.978%0.78275%0.746SS**  trans-72.1119.1166.3-171.60000107P194 S198P194-V196 PolarHBondContact O-N 2.96Å; V196-S198 PolarHBondContact O-N 2.71Å; V196-S198 VanDerWaalsContact O-N 3.1Å
197P42.1Very low46.8Very low100 Ų100114.7 Ų114.765%0.64975%0.748SS**  trans-63.1119.3176.923.7-29.7000108.4H195 S199H195-P197 WeakPolarHBondContact O-CD 3.35Å; P197-S199 PolarHBondContact O-N 2.85Å; P197-S199 PolarHBondContact O-OG 3.3Å
198S38.7Very low49.1Very low111 Ų111120.7 Ų120.778%0.77675%0.747SS**  trans-60.284.1177.6-173.40000110.1V196 G200V196-S198 PolarHBondContact O-N 2.71Å; V196-S198 VanDerWaalsContact O-N 3.1Å; S198-G200 PolarHBondContact O-N 3.41Å
199S43.2Very low51.3Low113 Ų113120.2 Ų120.279%0.7974%0.738SS**THydrogen-bonded Turntrans-8911.3-177.3-55.80000112.1P197P197-S199 PolarHBondContact O-N 2.85Å; P197-S199 PolarHBondContact O-OG 3.3Å
200G44Very low53.7Low74 Ų74125.9 Ų125.976%0.76374%0.74SS**THydrogen-bonded Turntrans-104.1-7.2-17200000115.7S198 G202S198-G200 PolarHBondContact O-N 3.41Å; G200-G202 PolarHBondContact O-N 3.31Å
201S50.1Low56.1Low73 Ų73121.5 Ų121.551%0.5172%0.718SS.*  trans-89.9101.4178.1-171.80000109.2S203S201-S203 WeakPolarHBondContact CB-OG 3.45Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 PolarHBondContact O-OG 2.94Å; S201-S203 WeakPolarHBondContact OG-CB 3.26Å; S201-S203 PolarHBondContact OG-OG 3.34Å
202G56.1Low58Low87 Ų87124.4 Ų124.490%0.89772%0.719SS**  trans-63.615.4169.900000114.3G200G200-G202 PolarHBondContact O-N 3.31Å
203S63.7Low60.4Low43 Ų43117.3 Ų117.330%0.30169%0.69SS.*SBendtrans-63.6139.3168.149.90000109.6S201S201-S203 WeakPolarHBondContact CB-OG 3.45Å; S201-S203 PolarHBondContact O-N 2.93Å; S201-S203 PolarHBondContact O-OG 2.94Å; S201-S203 WeakPolarHBondContact OG-CB 3.26Å; S201-S203 PolarHBondContact OG-OG 3.34Å
204P64.7Low62.3Low110 Ų110114.5 Ų114.571%0.71469%0.689SS**PPolyproline II helixtrans-49.2149170.4-25.133.4000111.5G206P204-G206 PolarHBondContact O-N 3.15Å
205P68.5Low64.4Low81 Ų81112.6 Ų112.653%0.52668%0.676SS.*SBendtrans-59.4139.7175.825.8-33.1000110.6P233P205-P233 HydrophobicContact CG-CG 3.74Å
206G71.6Confident66.2Low66 Ų66107.9 Ų107.968%0.6866%0.662SS**SBendtrans144.2160.7178.400000112.3P204P204-G206 PolarHBondContact O-N 3.15Å
207E81Confident67.9Low194 Ų194106.4 Ų106.491%0.90765%0.649SS**  trans-87.9137.8170.6-67.8-170.9162.700110.4S209E207-S209 PolarHBondContact O-N 3.1Å
208Y81Confident69.3Low207 Ų207105.2 Ų105.281%0.81264%0.635SS**  trans-66.6123.7169.5-72.3-88.8000109
209S82.4Confident70.6Confident86 Ų86103.1 Ų103.160%0.60162%0.624SS**  trans-119.2158.9175.5850000111.1E207 F211E207-S209 PolarHBondContact O-N 3.1Å; S209-F211 VanDerWaalsContact C-N 3.33Å; S209-F211 PolarHBondContact OG-N 3.22Å
210R86.7Confident71.6Confident247 Ų247102.8 Ų102.893%0.93261%0.613SS**SBendtrans-89.81.317165.4-179-67.6177.9-0.7113.1
211F85Confident72.2Confident98 Ų98102 Ų10243%0.4360%0.596SS.*  trans-78.5126.2-178.9177.6-94.8000109.4S209 P213 Q223S209-F211 VanDerWaalsContact C-N 3.33Å; S209-F211 PolarHBondContact OG-N 3.22Å; F211-P213 HydrophobicContact CE1-CB 4.11Å; F211-Q223 VanDerWaalsContact CD1-NE2 3.29Å
212I81.3Confident72.3Confident150 Ų150103 Ų10377%0.76960%0.6SS**  trans-104.3114.4175.7-57.7174.9000106.7
213P80.8Confident72.1Confident43 Ų43104.6 Ų104.628%0.27959%0.585SS.*  trans-63.4143179.923.3-29.1000110.6F211 T215 E218 A219F211-P213 HydrophobicContact CE1-CB 4.11Å; P213-T215 PolarHBondContact O-N 3.01Å; P213-E218 HydrophobicContact CB-CB 3.99Å; P213-E218 HydrophobicContact CB-CG 4.25Å; P213-A219 HydrophobicContact CB-CB 4.21Å; P213-A219 HydrophobicContact CG-CB 3.61Å
214A81.1Confident70.9Confident92 Ų92109.5 Ų109.576%0.7661%0.613SS**SBendtrans-71.1-25.8-177.200000111.8E218A214-E218 WeakPolarHBondContact CB-OE2 3.35Å; A214-E218 PolarHBondContact N-OE2 3.37Å
215T79.1Confident69.8Low69 Ų69106.6 Ų106.642%0.42360%0.603SS.*SBendtrans-135150.8173.666.90000110.9P213 L217 E218P213-T215 PolarHBondContact O-N 3.01Å; T215-L217 PolarHBondContact O-N 3.45Å; T215-L217 VanDerWaalsContact O-N 3.11Å; T215-E218 WeakPolarHBondContact O-CB 3.39Å; T215-E218 PolarHBondContact O-N 2.81Å; T215-E218 PolarHBondContact OG1-N 2.89Å
216P73.3Confident68.2Low92 Ų92109.1 Ų109.160%0.59762%0.622SS**Hα-helixtrans-57.5-26.4175.1-25.234.2000113.8A219 L246P216-A219 WeakPolarHBondContact O-CB 3.45Å; P216-A219 PolarHBondContact O-N 2.81Å; P216-L246 HydrophobicContact CB-CD2 3.96Å
217L72.1Confident66.4Low98 Ų98109.2 Ų109.251%0.51362%0.623SS.*Hα-helixtrans-70-32.6178.2-169.664.6000112.5T215 A219 L220 S221 L246T215-L217 PolarHBondContact O-N 3.45Å; T215-L217 VanDerWaalsContact O-N 3.11Å; L217-A219 VanDerWaalsContact C-N 3.29Å; L217-A219 PolarHBondContact O-N 2.83Å; L217-L220 PolarHBondContact O-N 2.83Å; L217-S221 PolarHBondContact O-N 2.85Å; L217-S221 VanDerWaalsContact O-N 3.1Å; L217-S221 PolarHBondContact O-OG 2.9Å; L217-L246 HydrophobicContact CB-CD2 4.3Å; L217-L246 HydrophobicContact CD1-CD2 4.44Å
218E69.9Low64.2Low76 Ų76101.7 Ų101.736%0.35560%0.598SS.*Hα-helixtrans-69.2-29.7176.5-169.3176.1-160.700111.4P213 A214 T215 L220 S221P213-E218 HydrophobicContact CB-CB 3.99Å; P213-E218 HydrophobicContact CB-CG 4.25Å; A214-E218 WeakPolarHBondContact CB-OE2 3.35Å; A214-E218 PolarHBondContact N-OE2 3.37Å; T215-E218 WeakPolarHBondContact O-CB 3.39Å; T215-E218 PolarHBondContact O-N 2.81Å; T215-E218 PolarHBondContact OG1-N 2.89Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 2.97Å; E218-S221 PolarHBondContact O-N 3.06Å
219A66Low62.1Low66 Ų6696.1 Ų96.155%0.54559%0.589SS.*Hα-helixtrans-67.4-30.1173.500000113.3P213 P216 L217P213-A219 HydrophobicContact CB-CB 4.21Å; P213-A219 HydrophobicContact CG-CB 3.61Å; P216-A219 WeakPolarHBondContact O-CB 3.45Å; P216-A219 PolarHBondContact O-N 2.81Å; L217-A219 VanDerWaalsContact C-N 3.29Å; L217-A219 PolarHBondContact O-N 2.83Å
220L64.5Low60.2Low107 Ų10798.8 Ų98.856%0.5660%0.596SS**Hα-helixtrans-89.2-13.7178.1-63.9174.5000112.3L217 E218 A245L217-L220 PolarHBondContact O-N 2.83Å; E218-L220 VanDerWaalsContact C-N 3.3Å; E218-L220 PolarHBondContact O-N 2.97Å; L220-A245 HydrophobicContact CD1-CB 4.18Å
221S56.5Low58.1Low58 Ų5891.8 Ų91.841%0.40658%0.582SS.*SBendtrans-80.3131.5175.4-60.40000108.1L217 E218 Q223L217-S221 PolarHBondContact O-N 2.85Å; L217-S221 VanDerWaalsContact O-N 3.1Å; L217-S221 PolarHBondContact O-OG 2.9Å; E218-S221 PolarHBondContact O-N 3.06Å; S221-Q223 PolarHBondContact O-N 3.05Å
222P53.6Low56.1Low92 Ų9292 Ų9260%0.59760%0.597SS**  trans-56.2116.9169.3-12.523.3000106.9T224P222-T224 PolarHBondContact O-N 2.83Å
223Q50.4Low54.4Low122 Ų12289 Ų8957%0.5759%0.586SS**  trans-58.4108.7174.5-75.1-137.453.100106.9F211 S221 G225F211-Q223 VanDerWaalsContact CD1-NE2 3.29Å; S221-Q223 PolarHBondContact O-N 3.05Å; Q223-G225 PolarHBondContact O-N 3.48Å
224T39.8Very low52.4Low146 Ų14691.1 Ų91.190%0.89661%0.608SS**  trans-76.355.8169.345.70000108.3P222P222-T224 PolarHBondContact O-N 2.83Å
225G41.1Very low50.7Low49 Ų4992.8 Ų92.851%0.50561%0.608SS.*  trans-73.3130.1154.100000106.3Q223 G227Q223-G225 PolarHBondContact O-N 3.48Å; G225-G227 PolarHBondContact O-N 2.9Å
226S36Very low48.8Very low133 Ų13397.9 Ų97.993%0.9363%0.627SS**SBendtrans-44100.7178.453.70000112.4
227G33.1Very low47.4Very low68 Ų6899 Ų9970%0.70163%0.628SS**SBendtrans128.6108174.600000113.7G225G225-G227 PolarHBondContact O-N 2.9Å
228G35.2Very low46Very low36 Ų3699.9 Ų99.937%0.37164%0.642SS.*  trans80.291.6160.300000116.1D166 L230D166-G228 WeakPolarHBondContact OD2-CA 3.31Å; G228-L230 PolarHBondContact O-N 2.86Å; G228-L230 VanDerWaalsContact O-N 3.14Å
229S36Very low45Very low91 Ų9198.1 Ų98.164%0.63664%0.639SS**  trans-70.4100.416746.60000110.3P231S229-P231 WeakPolarHBondContact O-CD 3.43Å
230L42.5Very low44.3Very low142 Ų142103.3 Ų103.374%0.74366%0.657SS**  trans-81.6122.8169.9-82.2154.4000110.6G228 S232G228-L230 PolarHBondContact O-N 2.86Å; G228-L230 VanDerWaalsContact O-N 3.14Å; L230-S232 PolarHBondContact O-N 2.84Å
231P43.8Very low43.9Very low99 Ų99102.5 Ų102.564%0.64365%0.653SS**  trans-74.2114.7165.127.9-28.2000109S229S229-P231 WeakPolarHBondContact O-CD 3.43Å
232S42.5Very low44.1Very low104 Ų104104.3 Ų104.373%0.72766%0.663SS**  trans-59.7140.4165.2-71.50000109.2L230 A234L230-S232 PolarHBondContact O-N 2.84Å; S232-A234 PolarHBondContact O-N 3.18Å
233P45.5Very low44.5Very low85 Ų85107.5 Ų107.555%0.55267%0.668SS**  trans-60.4116.3177.126.1-32.3000107.6P205 V235P205-P233 HydrophobicContact CG-CG 3.74Å; P233-V235 PolarHBondContact O-N 3.03Å
234A39.4Very low44.8Very low88 Ų88107.6 Ų107.673%0.72767%0.666SS**  trans-55.6102.7175.400000108.2S232 H236S232-A234 PolarHBondContact O-N 3.18Å; A234-H236 VanDerWaalsContact C-N 3.3Å; A234-H236 PolarHBondContact O-N 2.9Å
235V43.6Very low45.9Very low128 Ų128103.8 Ų103.878%0.77665%0.65SS**  trans-59.8106.3157-176.70000103.7P233 N237P233-V235 PolarHBondContact O-N 3.03Å; V235-N237 PolarHBondContact O-N 2.8Å
236H40.9Very low47.4Very low176 Ų176105.3 Ų105.382%0.81565%0.646SS**  trans-60.678.4173.9-109.8-71.1000108.4A234A234-H236 VanDerWaalsContact C-N 3.3Å; A234-H236 PolarHBondContact O-N 2.9Å
237N42.9Very low49.5Very low114 Ų114103.3 Ų103.361%0.6163%0.628SS**  trans-98.897.1168.3-135.77.5000104.9V235 S239V235-N237 PolarHBondContact O-N 2.8Å; N237-S239 PolarHBondContact O-N 3.35Å
238S43.9Very low52.1Low118 Ų118105.3 Ų105.383%0.82563%0.629SS**  trans-6840.5-177.1-62.40000113.8
239S47.2Very low54.8Low39 Ų39109.6 Ų109.627%0.27365%0.651SS.*  trans-134.8103.1169.760.20000109.4N237 D241 K244N237-S239 PolarHBondContact O-N 3.35Å; S239-D241 PolarHBondContact O-N 3.45Å; S239-K244 WeakPolarHBondContact OG-CD 3.4Å
240N52.6Low57.6Low175 Ų175113.2 Ų113.294%0.93666%0.662SS**  trans-66.835.1173.8-82.2-20.4000113.5P242N240-P242 VanDerWaalsContact O-CD 3.29Å; N240-P242 WeakPolarHBondContact O-CD 3.28Å
241D56.4Low60Low90 Ų90111.7 Ų111.748%0.48165%0.654SS.*  trans-101.7100.9178-151.4-23.4000108.6S239 K243 K244S239-D241 PolarHBondContact O-N 3.45Å; D241-K243 PolarHBondContact O-N 2.88Å; D241-K244 HydrophobicContact CB-CB 4.35Å; D241-K244 WeakPolarHBondContact O-CB 3.42Å; D241-K244 PolarHBondContact O-N 3.4Å
242P59.8Low62.5Low95 Ų95109.6 Ų109.662%0.61764%0.64SS**THydrogen-bonded Turntrans-58.8-19.4-175.823.1-33.3000112.5N240N240-P242 VanDerWaalsContact O-CD 3.29Å; N240-P242 WeakPolarHBondContact O-CD 3.28Å
243K61.1Low65.1Low159 Ų159108.7 Ų108.769%0.69163%0.632SS**THydrogen-bonded Turntrans-69.7-31.8173.4-64.2-176.4-179.1177.50113D241 A245 L246 T247D241-K243 PolarHBondContact O-N 2.88Å; K243-A245 VanDerWaalsContact C-N 3.32Å; K243-L246 PolarHBondContact O-N 2.96Å; K243-T247 PolarHBondContact O-N 3.29Å
244K58Low67.4Low124 Ų124108 Ų10854%0.53962%0.621SS.*THydrogen-bonded Turntrans-74.7-25.2-178.2-147.2-180-170.3-175.80112.3S239 D241 L246 T247S239-K244 WeakPolarHBondContact OG-CD 3.4Å; D241-K244 HydrophobicContact CB-CB 4.35Å; D241-K244 WeakPolarHBondContact O-CB 3.42Å; D241-K244 PolarHBondContact O-N 3.4Å; K244-L246 VanDerWaalsContact C-N 3.25Å; K244-L246 PolarHBondContact O-N 3.13Å; K244-T247 PolarHBondContact O-OG1 2.89Å; K244-T247 VanDerWaalsContact O-OG1 3.07Å
245A63.3Low70.1Confident67 Ų67105.2 Ų105.255%0.55459%0.594SS**THydrogen-bonded Turntrans-70.8-21.7172.100000112.9L220 K243L220-A245 HydrophobicContact CD1-CB 4.18Å; K243-A245 VanDerWaalsContact C-N 3.32Å
246L71.2Confident72.6Confident81 Ų81104.7 Ų104.742%0.42459%0.586SS.*THydrogen-bonded Turntrans-92.9-18.5-177.3-66.9168.1000113.5P216 L217 K243 K244P216-L246 HydrophobicContact CB-CD2 3.96Å; L217-L246 HydrophobicContact CB-CD2 4.3Å; L217-L246 HydrophobicContact CD1-CD2 4.44Å; K243-L246 PolarHBondContact O-N 2.96Å; K244-L246 VanDerWaalsContact C-N 3.25Å; K244-L246 PolarHBondContact O-N 3.13Å
247T81.2Confident75Confident90 Ų90100.6 Ų100.655%0.55257%0.568SS**SBendtrans-79.1126.1178.549.90000110.3K243 K244K243-T247 PolarHBondContact O-N 3.29Å; K244-T247 PolarHBondContact O-OG1 2.89Å; K244-T247 VanDerWaalsContact O-OG1 3.07Å
248P87.5Confident77.3Confident111 Ų11196.8 Ų96.872%0.72155%0.548SS*.PPolyproline II helixtrans-59147.6176.925.8-33.8000110.4
249P91.9Very high79.5Confident126 Ų12691.3 Ų91.382%0.81851%0.51SS*.PPolyproline II helixtrans-60.9145.6179.126.2-33.9000110.8
250L93.6Very high81.6Confident167 Ų16792.9 Ų92.987%0.87451%0.514SS*.PPolyproline II helixtrans-63139.5173.9-66.4173.5000110P252L250-P252 VanDerWaalsContact O-CD 3.31Å; L250-P252 WeakPolarHBondContact O-CD 3.44Å
251L94.6Very high83.4Confident109 Ų10990.3 Ų90.357%0.57150%0.501SS*.PPolyproline II helixtrans-61.4121.8177.4-179.867.6000110.1L255 L256L251-L255 HydrophobicContact CD1-CB 4.22Å; L251-L255 HydrophobicContact CD1-CD1 3.84Å; L251-L256 HydrophobicContact CD2-CD2 3.66Å; L251-L256 HydrophobicContact CD2-CG 4.13Å
252P95.8Very high84.9Confident56 Ų5691.2 Ų91.236%0.36450%0.498SS..PPolyproline II helixtrans-59.3125.7173.7-24.935000110.6L250 Q254 L255L250-P252 VanDerWaalsContact O-CD 3.31Å; L250-P252 WeakPolarHBondContact O-CD 3.44Å; P252-Q254 PolarHBondContact O-N 2.86Å; P252-Q254 VanDerWaalsContact O-N 3.08Å; P252-L255 HydrophobicContact CB-CG 4.47Å; P252-L255 WeakPolarHBondContact O-CB 3.37Å; P252-L255 PolarHBondContact O-N 3.07Å
253P96.7Very high86.2Confident85 Ų8594.7 Ų94.755%0.55251%0.511SS*.G310 helixtrans-62.3-20.3-174.524.3-34.8000113.6L255 L256P253-L255 PolarHBondContact O-N 2.95Å; P253-L256 WeakPolarHBondContact O-CB 3.31Å; P253-L256 PolarHBondContact O-N 3.46Å; P253-L256 VanDerWaalsContact O-N 3.1Å
254Q95Very high87.2Confident71 Ų7189.9 Ų89.933%0.33250%0.495SS..G310 helixtrans-59.2-32.9174-63.584-1400112P252 L256 Q257P252-Q254 PolarHBondContact O-N 2.86Å; P252-Q254 VanDerWaalsContact O-N 3.08Å; Q254-L256 PolarHBondContact O-N 2.81Å; Q254-Q257 WeakPolarHBondContact O-CB 3.18Å; Q254-Q257 PolarHBondContact O-N 2.88Å
255L95.1Very high88.4Confident28 Ų2888.4 Ų88.415%0.14749%0.493CS..G310 helixtrans-73.1-11178.9-59.8-176000113.1L251 P252 P253 M280 H283 Y285L251-L255 HydrophobicContact CD1-CB 4.22Å; L251-L255 HydrophobicContact CD1-CD1 3.84Å; P252-L255 HydrophobicContact CB-CG 4.47Å; P252-L255 WeakPolarHBondContact O-CB 3.37Å; P252-L255 PolarHBondContact O-N 3.07Å; P253-L255 PolarHBondContact O-N 2.95Å; L255-M280 HydrophobicContact CD2-CB 4.14Å; L255-H283 HydrophobicContact CD2-CB 4.36Å; L255-Y285 WeakPolarHBondContact O-CE1 3.49Å; L255-Y285 PolarHBondContact O-OH 3.42Å
256L95.1Very high89.4Confident117 Ų11792 Ų9261%0.61351%0.508SS*.G310 helixtrans-85-11.9173.9-60.4174000112.4L251 P253 Q254 V258L251-L256 HydrophobicContact CD2-CD2 3.66Å; L251-L256 HydrophobicContact CD2-CG 4.13Å; P253-L256 WeakPolarHBondContact O-CB 3.31Å; P253-L256 PolarHBondContact O-N 3.46Å; P253-L256 VanDerWaalsContact O-N 3.1Å; Q254-L256 PolarHBondContact O-N 2.81Å; L256-V258 VanDerWaalsContact C-N 3.27Å; L256-V258 PolarHBondContact O-N 2.87Å
257Q91.7Very high90.2Very high91 Ų9196.5 Ų96.543%0.42553%0.527SS..  trans-85.262.2-176.6-59.9-174.513.300112Q254 I259 M280Q254-Q257 WeakPolarHBondContact O-CB 3.18Å; Q254-Q257 PolarHBondContact O-N 2.88Å; Q257-I259 PolarHBondContact O-N 2.88Å; Q257-I259 VanDerWaalsContact O-N 3.13Å; Q257-M280 HydrophobicContact CB-CE 4.06Å; Q257-M280 WeakPolarHBondContact O-CE 3.49Å
258V91.4Very high90.3Very high33 Ų3395.4 Ų95.420%0.252%0.522CS..  trans-59114.7-176.2-170.70000111.1L256 L260 N261 Y285L256-V258 VanDerWaalsContact C-N 3.27Å; L256-V258 PolarHBondContact O-N 2.87Å; V258-L260 VanDerWaalsContact C-N 3.32Å; V258-L260 HydrophobicContact CG1-CB 4.4Å; V258-L260 PolarHBondContact O-N 2.89Å; V258-N261 HydrophobicContact CB-CB 4.12Å; V258-N261 HydrophobicContact CG1-CB 4.4Å; V258-N261 PolarHBondContact O-N 3.43Å; V258-N261 VanDerWaalsContact O-N 3.09Å; V258-Y285 HydrophobicContact CB-CD1 4.39Å; V258-Y285 HydrophobicContact CB-CE1 4.34Å; V258-Y285 HydrophobicContact CG1-CD1 3.97Å; V258-Y285 HydrophobicContact CG1-CE1 4.33Å; V258-Y285 HydrophobicContact CG1-CG 4.35Å; V258-Y285 HydrophobicContact CG2-CD1 3.79Å; V258-Y285 HydrophobicContact CG2-CE1 3.72Å
259I90.3Very high90.3Very high4 Ų494 Ų942%0.02151%0.508CS..G310 helixtrans-64.9-36.1-176.5-69.9-178.6000112.6Q257 N261 R262 L273 P274 P276 M280 I299Q257-I259 PolarHBondContact O-N 2.88Å; Q257-I259 VanDerWaalsContact O-N 3.13Å; I259-N261 PolarHBondContact O-N 2.83Å; I259-R262 WeakPolarHBondContact O-CB 3.22Å; I259-R262 PolarHBondContact O-N 2.97Å; I259-L273 HydrophobicContact CG2-CB 3.92Å; I259-L273 HydrophobicContact CG2-CD1 4.27Å; I259-L273 HydrophobicContact CG2-CD2 4.3Å; I259-L273 HydrophobicContact CG2-CG 4.4Å; I259-P274 HydrophobicContact CG2-CG 3.92Å; I259-P276 HydrophobicContact CD1-CB 3.35Å; I259-P276 HydrophobicContact CD1-CG 4.44Å; I259-M280 HydrophobicContact CD1-CE 4.44Å; I259-M280 HydrophobicContact CD1-SD 3.5Å; I259-M280 WeakPolarHBondContact CD1-SD 3.29Å; I259-M280 HydrophobicContact CG1-CE 4.32Å; I259-M280 HydrophobicContact CG1-SD 3.68Å; I259-I299 HydrophobicContact CB-CD1 4.26Å; I259-I299 HydrophobicContact CD1-CD1 3.7Å; I259-I299 HydrophobicContact CG1-CD1 4.31Å
260L90.6Very high90.1Very high71 Ų7193 Ų9337%0.37250%0.501SS..G310 helixtrans-67.8-14.1177.2-63.2-178.5000113.4V258 L273 S297 V310V258-L260 VanDerWaalsContact C-N 3.32Å; V258-L260 HydrophobicContact CG1-CB 4.4Å; V258-L260 PolarHBondContact O-N 2.89Å; L260-L273 HydrophobicContact CD2-CD1 3.68Å; L260-L273 HydrophobicContact CD2-CD2 4.09Å; L260-S297 WeakPolarHBondContact CD1-OG 3.31Å; L260-V310 HydrophobicContact CD1-CG2 3.96Å
261N91.5Very high89.8Confident122 Ų12288.1 Ų88.165%0.65248%0.477SS*.G310 helixtrans-93-1.2174.4-65.2-5.7000112.4V258 I259V258-N261 HydrophobicContact CB-CB 4.12Å; V258-N261 HydrophobicContact CG1-CB 4.4Å; V258-N261 PolarHBondContact O-N 3.43Å; V258-N261 VanDerWaalsContact O-N 3.09Å; I259-N261 PolarHBondContact O-N 2.83Å
262R88.3Confident89.6Confident109 Ų10985 Ų8541%0.41146%0.46SS..SBendtrans-87.6133.4177.3-63.2-171.3179.5-174.10.1109.7I259 T264I259-R262 WeakPolarHBondContact O-CB 3.22Å; I259-R262 PolarHBondContact O-N 2.97Å; R262-T264 PolarHBondContact O-N 3.21Å
263D85.7Confident89.3Confident168 Ų16883.5 Ų83.590%0.89845%0.449SS*.PPolyproline II helixtrans-65.3132.7171.7-62.7-46.1000110.2
264T83.1Confident89.1Confident57 Ų5781.9 Ų81.935%0.3544%0.438SS..PPolyproline II helixtrans-92.6150.9170.652.80000109.6R262 V266 L272R262-T264 PolarHBondContact O-N 3.21Å; T264-V266 PolarHBondContact O-N 2.87Å; T264-L272 WeakPolarHBondContact CG2-O 3.41Å
265N82.8Confident88.9Confident93 Ų9385.3 Ų85.350%0.49745%0.454SS..PPolyproline II helixtrans-63.4128.3176.4-176.9-15.5000109.3Q267 C268N265-Q267 PolarHBondContact O-N 2.83Å; N265-Q267 PolarHBondContact OD1-N 2.8Å; N265-Q267 VanDerWaalsContact OD1-N 3.09Å; N265-C268 WeakPolarHBondContact O-CB 3.43Å; N265-C268 PolarHBondContact O-N 2.8Å
266V85.1Confident88.8Confident144 Ų14484.4 Ų84.487%0.87345%0.45SS*.THydrogen-bonded Turntrans-58.3-14.3-179.5-62.70000114.4T264T264-V266 PolarHBondContact O-N 2.87Å
267Q87.6Confident88.8Confident175 Ų17581.8 Ų81.882%0.81844%0.437SS*.THydrogen-bonded Turntrans-88.6-12.1176.3-62.6-176.7-17.100113.9N265N265-Q267 PolarHBondContact O-N 2.83Å; N265-Q267 PolarHBondContact OD1-N 2.8Å; N265-Q267 VanDerWaalsContact OD1-N 3.09Å
268C82.5Confident88.9Confident67 Ų6783.6 Ų83.645%0.45345%0.445SS..SBendtrans-93.1161.3-179.4-62.40000111.5N265N265-C268 WeakPolarHBondContact O-CB 3.43Å; N265-C268 PolarHBondContact O-N 2.8Å
269D88.9Confident89.2Confident81 Ų8184.5 Ų84.543%0.43345%0.451SS..  trans-59.7127.9171.6170.9-5.1000109.6N271 L272D269-N271 PolarHBondContact O-N 2.97Å; D269-N271 VanDerWaalsContact O-N 3.09Å; D269-N271 WeakPolarHBondContact OD1-CB 3.29Å; D269-N271 PolarHBondContact OD1-N 2.88Å; D269-N271 PolarHBondContact OD1-ND2 3.07Å; D269-L272 HydrophobicContact CB-CD1 3.94Å; D269-L272 HydrophobicContact CB-CG 3.87Å; D269-L272 VanDerWaalsContact O-CB 3.32Å; D269-L272 WeakPolarHBondContact O-CB 3.42Å; D269-L272 PolarHBondContact O-N 3.37Å
270P87.2Confident89.3Confident104 Ų10484.4 Ų84.468%0.67545%0.45SS*.THydrogen-bonded Turntrans-62.2-16.3-177.225.8-36.8000114.3L272P270-L272 VanDerWaalsContact C-N 3.29Å
271N87.9Confident89.5Confident66 Ų6681.8 Ų81.835%0.35344%0.437SS..THydrogen-bonded Turntrans-82.6-7.8174.7-59-66.1000113.1S13 D269S13-N271 PolarHBondContact N-O 2.86Å; S13-N271 PolarHBondContact O-OD1 2.84Å; D269-N271 PolarHBondContact O-N 2.97Å; D269-N271 VanDerWaalsContact O-N 3.09Å; D269-N271 WeakPolarHBondContact OD1-CB 3.29Å; D269-N271 PolarHBondContact OD1-N 2.88Å; D269-N271 PolarHBondContact OD1-ND2 3.07Å
272L89.5Confident89.7Confident42 Ų4281.5 Ų81.522%0.2244%0.435CS..  trans-84127.7177-58.8-179000111.3S10 V11 T264 D269 P270S10-L272 WeakPolarHBondContact OG-CD2 3.47Å; V11-L272 VanDerWaalsContact O-CA 3.3Å; V11-L272 WeakPolarHBondContact O-CA 3.45Å; V11-L272 WeakPolarHBondContact O-CD2 3.3Å; T264-L272 WeakPolarHBondContact CG2-O 3.41Å; D269-L272 HydrophobicContact CB-CD1 3.94Å; D269-L272 HydrophobicContact CB-CG 3.87Å; D269-L272 VanDerWaalsContact O-CB 3.32Å; D269-L272 WeakPolarHBondContact O-CB 3.42Å; D269-L272 PolarHBondContact O-N 3.37Å; P270-L272 VanDerWaalsContact C-N 3.29Å
273L90.3Very high90.1Very high26 Ų2680 Ų8014%0.13643%0.433CS..  trans-113.7152.6174.4-62.3172.6000109.8V11 I259 L260 S308V11-L273 HydrophobicContact CB-CB 4.12Å; V11-L273 WeakPolarHBondContact CB-O 3.45Å; V11-L273 HydrophobicContact CG1-CB 3.8Å; V11-L273 HydrophobicContact CG1-CD1 4.2Å; V11-L273 HydrophobicContact CG1-CG 4.34Å; V11-L273 WeakPolarHBondContact CG2-O 3.49Å; I259-L273 HydrophobicContact CG2-CB 3.92Å; I259-L273 HydrophobicContact CG2-CD1 4.27Å; I259-L273 HydrophobicContact CG2-CD2 4.3Å; I259-L273 HydrophobicContact CG2-CG 4.4Å; L260-L273 HydrophobicContact CD2-CD1 3.68Å; L260-L273 HydrophobicContact CD2-CD2 4.09Å; L273-S308 VanDerWaalsContact CD1-CB 3.47Å
274P90.9Very high90.5Very high50 Ų5078.6 Ų78.633%0.32542%0.422SS..PPolyproline II helixtrans-61.5152.4171.827.4-34.8000110.8I259I259-P274 HydrophobicContact CG2-CG 3.92Å
275Q91.6Very high91.2Very high143 Ų14377.4 Ų77.467%0.66841%0.412SS*.PPolyproline II helixtrans-58.6127.9177.8-176.7178.3-8.600110.9F306Q275-F306 HydrophobicContact CG-CD2 4.45Å; Q275-F306 HydrophobicContact CG-CE2 4.02Å
276P93.6Very high91.7Very high9 Ų976.1 Ų76.16%0.05841%0.414CS..PPolyproline II helixtrans-73.3154177.329.7-36.1000113.1I259 M280 V281 I299 F306I259-P276 HydrophobicContact CD1-CB 3.35Å; I259-P276 HydrophobicContact CD1-CG 4.44Å; P276-M280 HydrophobicContact CB-CG 4.2Å; P276-M280 HydrophobicContact CB-SD 4.13Å; P276-V281 HydrophobicContact CG-CG2 4.44Å; P276-I299 HydrophobicContact CB-CD1 4.2Å; P276-I299 HydrophobicContact CB-CG2 4.34Å; P276-I299 HydrophobicContact CG-CG2 4.04Å; P276-F306 HydrophobicContact CG-CB 3.84Å; P276-F306 HydrophobicContact CG-CD1 3.35Å; P276-F306 HydrophobicContact CG-CD2 3.81Å; P276-F306 HydrophobicContact CG-CE1 3.71Å; P276-F306 HydrophobicContact CG-CE2 4.15Å; P276-F306 HydrophobicContact CG-CG 3.38Å; P276-F306 HydrophobicContact CG-CZ 4.07Å
277D94.4Very high92.2Very high62 Ų6274.2 Ų74.233%0.33240%0.399SS..PPolyproline II helixtrans-68.7138.4160-164.2-16.5000109.2V279 M280D277-V279 PolarHBondContact O-N 3.11Å; D277-V279 VanDerWaalsContact O-N 3.14Å; D277-V279 PolarHBondContact OD1-N 2.97Å; D277-M280 HydrophobicContact CB-CE 4.3Å; D277-M280 HydrophobicContact CB-CG 4.5Å; D277-M280 WeakPolarHBondContact O-CG 3.34Å; D277-M280 PolarHBondContact O-N 2.76Å
278H94.6Very high92.6Very high130 Ų13071.5 Ų71.560%0.60240%0.399SS*.G310 helixtrans-57.7-28.3178.670.5-64.7000113.1M280 V281H278-M280 VanDerWaalsContact C-N 3.3Å; H278-M280 PolarHBondContact O-N 2.85Å; H278-V281 WeakPolarHBondContact O-CB 3.25Å; H278-V281 PolarHBondContact O-N 2.89Å
279V95.8Very high93.2Very high52 Ų5272.9 Ų72.932%0.31540%0.401SS..G310 helixtrans-67.4-27-178.9-176.70000112.8D277 H283D277-V279 PolarHBondContact O-N 3.11Å; D277-V279 VanDerWaalsContact O-N 3.14Å; D277-V279 PolarHBondContact OD1-N 2.97Å; V279-H283 PolarHBondContact O-CD2 3.43Å; V279-H283 PolarHBondContact O-NE2 2.86Å; V279-H283 VanDerWaalsContact O-NE2 3.14Å
280M94.2Very high93.4Very high2 Ų276.1 Ų76.11%0.0141%0.411CS..G310 helixtrans-92.1-6.717963.5168.274.800113.9L255 Q257 I259 P276 D277 H278 H283 Y285 I299L255-M280 HydrophobicContact CD2-CB 4.14Å; Q257-M280 HydrophobicContact CB-CE 4.06Å; Q257-M280 WeakPolarHBondContact O-CE 3.49Å; I259-M280 HydrophobicContact CD1-CE 4.44Å; I259-M280 HydrophobicContact CD1-SD 3.5Å; I259-M280 WeakPolarHBondContact CD1-SD 3.29Å; I259-M280 HydrophobicContact CG1-CE 4.32Å; I259-M280 HydrophobicContact CG1-SD 3.68Å; P276-M280 HydrophobicContact CB-CG 4.2Å; P276-M280 HydrophobicContact CB-SD 4.13Å; D277-M280 HydrophobicContact CB-CE 4.3Å; D277-M280 HydrophobicContact CB-CG 4.5Å; D277-M280 WeakPolarHBondContact O-CG 3.34Å; D277-M280 PolarHBondContact O-N 2.76Å; H278-M280 VanDerWaalsContact C-N 3.3Å; H278-M280 PolarHBondContact O-N 2.85Å; M280-H283 WeakPolarHBondContact O-CB 3.46Å; M280-H283 PolarHBondContact O-N 3.41Å; M280-Y285 WeakPolarHBondContact CB-OH 3.33Å; M280-I299 HydrophobicContact SD-CD1 4.13Å
281V94.4Very high93.8Very high15 Ų1578.1 Ų78.19%0.09142%0.416CS..THydrogen-bonded Turntrans-66.6139.7177.7-179.30000109.1P276 H278 H283 I299 R301 F306P276-V281 HydrophobicContact CG-CG2 4.44Å; H278-V281 WeakPolarHBondContact O-CB 3.25Å; H278-V281 PolarHBondContact O-N 2.89Å; V281-H283 PolarHBondContact O-N 2.98Å; V281-I299 WeakPolarHBondContact CG1-O 3.42Å; V281-I299 HydrophobicContact CG2-CG2 4.44Å; V281-R301 HydrophobicContact CG1-CB 4.26Å; V281-F306 HydrophobicContact CG2-CD1 4.06Å; V281-F306 HydrophobicContact CG2-CE1 3.84Å
282N95.2Very high94.1Very high116 Ų11676.7 Ų76.762%0.6242%0.417SS*.THydrogen-bonded Turntrans66.88.5-173.8-48.1-47.3000115.5I299N282-I299 PolarHBondContact N-O 2.85Å
283H96Very high94.3Very high79 Ų7976.8 Ų76.837%0.36642%0.419SS..  trans-86.1139.8166.9-70.9-95.8000111L255 V279 M280 V281 Y285L255-H283 HydrophobicContact CD2-CB 4.36Å; V279-H283 PolarHBondContact O-CD2 3.43Å; V279-H283 PolarHBondContact O-NE2 2.86Å; V279-H283 VanDerWaalsContact O-NE2 3.14Å; M280-H283 WeakPolarHBondContact O-CB 3.46Å; M280-H283 PolarHBondContact O-N 3.41Å; V281-H283 PolarHBondContact O-N 2.98Å; H283-Y285 HydrophobicContact CB-CE2 4.44Å
284M95.8Very high94.6Very high137 Ų13777.6 Ų77.668%0.67542%0.423SS*.EExtended strand (participates in β ladder)trans-87.5128.8178.3-173-178.76800110.6L296M284-L296 HydrophobicContact SD-CD1 4.29Å; M284-L296 HydrophobicContact SD-CD2 3.98Å
285Y95.9Very high94.7Very high32 Ų3276 Ų7613%0.12541%0.413CS..EExtended strand (participates in β ladder)trans-108.9150.3168-62.3-84.2000109.2L255 V258 M280 H283 S297L255-Y285 WeakPolarHBondContact O-CE1 3.49Å; L255-Y285 PolarHBondContact O-OH 3.42Å; V258-Y285 HydrophobicContact CB-CD1 4.39Å; V258-Y285 HydrophobicContact CB-CE1 4.34Å; V258-Y285 HydrophobicContact CG1-CD1 3.97Å; V258-Y285 HydrophobicContact CG1-CE1 4.33Å; V258-Y285 HydrophobicContact CG1-CG 4.35Å; V258-Y285 HydrophobicContact CG2-CD1 3.79Å; V258-Y285 HydrophobicContact CG2-CE1 3.72Å; M280-Y285 WeakPolarHBondContact CB-OH 3.33Å; H283-Y285 HydrophobicContact CB-CE2 4.44Å; Y285-S297 PolarHBondContact N-O 2.9Å; Y285-S297 PolarHBondContact O-N 2.94Å
286A95.3Very high94.9Very high67 Ų6771.5 Ų71.555%0.55439%0.393SS*.EExtended strand (participates in β ladder)trans-142.9146.4179.600000110.6V295 L296A286-V295 WeakPolarHBondContact CA-O 3.22Å; A286-L296 HydrophobicContact CB-CD2 3.73Å
287L95.2Very high95Very high104 Ų10471.6 Ų71.655%0.54539%0.394SS..PPolyproline II helixtrans-85.1156.4162.5-63.8175.2000109.7I289 V295L287-I289 PolarHBondContact O-N 2.76Å; L287-V295 HydrophobicContact CB-CB 4.15Å; L287-V295 HydrophobicContact CD1-CB 4.12Å; L287-V295 HydrophobicContact CD1-CG1 4.08Å; L287-V295 HydrophobicContact CD1-CG2 4.43Å; L287-V295 HydrophobicContact CG-CB 4.37Å; L287-V295 PolarHBondContact N-O 2.89Å
288S95.7Very high95Very high117 Ų11770.1 Ų70.182%0.81839%0.39SS*.PPolyproline II helixtrans-59.6133168.9-65.80000109.6K290S288-K290 PolarHBondContact O-N 2.84Å
289I94.8Very high95Very high97 Ų9764.2 Ų64.250%0.49736%0.363SS..PPolyproline II helixtrans-57.8131.2-179.5-63.5169.5000109.3L287 I294 I315L287-I289 PolarHBondContact O-N 2.76Å; I289-I294 HydrophobicContact CD1-CD1 4.45Å; I289-I294 HydrophobicContact CG1-CB 4.26Å; I289-I294 HydrophobicContact CG1-CG1 4.11Å; I289-I315 HydrophobicContact CD1-CD1 4.46Å; I289-I315 HydrophobicContact CG2-CD1 3.59Å; I289-I315 HydrophobicContact CG2-CG1 4.43Å
290K93.5Very high95Very high149 Ų14963 Ų6365%0.64836%0.356SS*.BIsolated β-bridgetrans-143.3139.7-179.9-167-175.9171.6-176.40109.8S288 G292 V293S288-K290 PolarHBondContact O-N 2.84Å; K290-G292 PolarHBondContact O-N 2.98Å; K290-V293 PolarHBondContact N-O 2.85Å; K290-V293 PolarHBondContact O-N 3.43Å
291D94.7Very high95Very high145 Ų14569 Ų6978%0.77538%0.378SS*.THydrogen-bonded Turntrans54.235.6175.9-53.5-39.7000114.2V293D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 2.75Å
292G94Very high94.9Very high36 Ų3672.7 Ų72.737%0.37139%0.391SS..THydrogen-bonded Turntrans7120.5-179.900000114.1K290 P314 I315K290-G292 PolarHBondContact O-N 2.98Å; G292-P314 CarbonylContact O-C 3.53Å; G292-P314 VanDerWaalsContact O-CA 3.3Å; G292-P314 WeakPolarHBondContact O-CA 3.36Å; G292-I315 VanDerWaalsContact O-CG1 3.3Å; G292-I315 WeakPolarHBondContact O-CG1 3.43Å; G292-I315 PolarHBondContact O-N 3.17Å
293V95Very high94.8Very high45 Ų4576.8 Ų76.827%0.27340%0.398SS..EExtended strand (participates in β ladder)trans-123.4129.8178.3-1780000110.2K290 D291 V295 Y312K290-V293 PolarHBondContact N-O 2.85Å; K290-V293 PolarHBondContact O-N 3.43Å; D291-V293 VanDerWaalsContact C-N 3.29Å; D291-V293 PolarHBondContact O-N 2.75Å; V293-V295 HydrophobicContact CG1-CG2 4.33Å; V293-Y312 HydrophobicContact CG1-CD1 4.18Å
294I95.5Very high94.7Very high42 Ų4280.5 Ų80.522%0.21542%0.415CS..EExtended strand (participates in β ladder)trans-91.6134.3165.5-167.1170.5000109.4I289 L296 K313 I315I289-I294 HydrophobicContact CD1-CD1 4.45Å; I289-I294 HydrophobicContact CG1-CB 4.26Å; I289-I294 HydrophobicContact CG1-CG1 4.11Å; I294-L296 HydrophobicContact CD1-CD1 4.46Å; I294-L296 HydrophobicContact CD1-CD2 3.84Å; I294-L296 HydrophobicContact CD1-CG 4.23Å; I294-L296 HydrophobicContact CG1-CD2 3.93Å; I294-L296 HydrophobicContact CG1-CG 4.11Å; I294-K313 HydrophobicContact CG2-CB 3.9Å; I294-K313 WeakPolarHBondContact CG2-O 3.13Å; I294-K313 PolarHBondContact N-O 3.05Å; I294-K313 PolarHBondContact O-N 3.33Å; I294-I315 HydrophobicContact CB-CG2 4.04Å; I294-I315 HydrophobicContact CG2-CG2 3.94Å
295V94.6Very high94.5Very high18 Ų1879.8 Ų79.811%0.10941%0.409CS..EExtended strand (participates in β ladder)trans-116.5114.6175.8-170.60000108.7A286 L287 V293 V310 L311 Y312A286-V295 WeakPolarHBondContact CA-O 3.22Å; L287-V295 HydrophobicContact CB-CB 4.15Å; L287-V295 HydrophobicContact CD1-CB 4.12Å; L287-V295 HydrophobicContact CD1-CG1 4.08Å; L287-V295 HydrophobicContact CD1-CG2 4.43Å; L287-V295 HydrophobicContact CG-CB 4.37Å; L287-V295 PolarHBondContact N-O 2.89Å; V293-V295 HydrophobicContact CG1-CG2 4.33Å; V295-V310 HydrophobicContact CG1-CG1 3.56Å; V295-L311 WeakPolarHBondContact CA-O 3.46Å; V295-Y312 HydrophobicContact CB-CD1 4.4Å; V295-Y312 HydrophobicContact CB-CE1 4.31Å; V295-Y312 HydrophobicContact CG1-CD1 4.16Å; V295-Y312 HydrophobicContact CG1-CD2 4.47Å; V295-Y312 HydrophobicContact CG1-CE1 3.83Å; V295-Y312 HydrophobicContact CG1-CE2 4.17Å; V295-Y312 HydrophobicContact CG1-CG 4.46Å; V295-Y312 HydrophobicContact CG2-CD1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CD1 3.47Å; V295-Y312 HydrophobicContact CG2-CE1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CE1 3.47Å; V295-Y312 HydrophobicContact CG2-CG 4.32Å
296L95Very high94.4Very high47 Ų4778.9 Ų78.925%0.24641%0.405CS..EExtended strand (participates in β ladder)trans-113.9145-179.9-60178.5000109.6M284 A286 I294 V310 L311M284-L296 HydrophobicContact SD-CD1 4.29Å; M284-L296 HydrophobicContact SD-CD2 3.98Å; A286-L296 HydrophobicContact CB-CD2 3.73Å; I294-L296 HydrophobicContact CD1-CD1 4.46Å; I294-L296 HydrophobicContact CD1-CD2 3.84Å; I294-L296 HydrophobicContact CD1-CG 4.23Å; I294-L296 HydrophobicContact CG1-CD2 3.93Å; I294-L296 HydrophobicContact CG1-CG 4.11Å; L296-V310 CarbonylContact O-C 3.54Å; L296-V310 WeakPolarHBondContact O-CA 3.29Å; L296-L311 PolarHBondContact N-O 3.06Å; L296-L311 PolarHBondContact O-N 3.15Å
297S94.6Very high94.3Very high11 Ų1177 Ų778%0.07739%0.387CS..EExtended strand (participates in β ladder)trans-137.6145.5171.7-174.30000111.9L260 Y285 S308 T309L260-S297 WeakPolarHBondContact CD1-OG 3.31Å; Y285-S297 PolarHBondContact N-O 2.9Å; Y285-S297 PolarHBondContact O-N 2.94Å; S297-S308 PolarHBondContact OG-OG 3.01Å; S297-T309 WeakPolarHBondContact CA-O 3.06Å; S297-T309 WeakPolarHBondContact CB-O 3.45Å; S297-T309 PolarHBondContact OG-O 3.27Å
298A94.8Very high94.2Very high31 Ų3172 Ų7226%0.25636%0.361SS..EExtended strand (participates in β ladder)trans-143.9146.4169.400000109.4T309A298-T309 PolarHBondContact N-O 3.25Å; A298-T309 PolarHBondContact O-N 3.33Å
299I94.9Very high94.1Very high7 Ų767.8 Ų67.84%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-96123.5172.7-57.5172.1000107.5I259 P276 M280 V281 N282 F306 V307I259-I299 HydrophobicContact CB-CD1 4.26Å; I259-I299 HydrophobicContact CD1-CD1 3.7Å; I259-I299 HydrophobicContact CG1-CD1 4.31Å; P276-I299 HydrophobicContact CB-CD1 4.2Å; P276-I299 HydrophobicContact CB-CG2 4.34Å; P276-I299 HydrophobicContact CG-CG2 4.04Å; M280-I299 HydrophobicContact SD-CD1 4.13Å; V281-I299 WeakPolarHBondContact CG1-O 3.42Å; V281-I299 HydrophobicContact CG2-CG2 4.44Å; N282-I299 PolarHBondContact N-O 2.85Å; I299-F306 HydrophobicContact CG2-CB 4.23Å; I299-F306 HydrophobicContact CG2-CD1 4.41Å; I299-V307 WeakPolarHBondContact CA-O 3.49Å
300T95.1Very high94.1Very high27 Ų2764.2 Ų64.217%0.16631%0.313CS..EExtended strand (participates in β ladder)trans-114.8151.8173.9610000109.9F306 V307T300-F306 WeakPolarHBondContact O-CA 3.26Å; T300-V307 PolarHBondContact N-O 3.23Å; T300-V307 PolarHBondContact O-N 3.35Å
301R94.5Very high94Very high127 Ų12758.9 Ų58.948%0.47929%0.291SS..EExtended strand (participates in β ladder)trans-100.5129.3174.1-176-170.4-72.2-114.27.7109.2V281 R303 K305 F306V281-R301 HydrophobicContact CG1-CB 4.26Å; R301-R303 WeakPolarHBondContact CD-O 3.4Å; R301-R303 VanDerWaalsContact CG-O 3.3Å; R301-R303 WeakPolarHBondContact CG-O 3.33Å; R301-K305 CarbonylContact C-O 3.58Å; R301-K305 WeakPolarHBondContact CA-O 3.35Å; R301-F306 HydrophobicContact CB-CD1 4.04Å; R301-F306 HydrophobicContact CB-CE1 4.12Å; R301-F306 HydrophobicContact CG-CD1 4.22Å; R301-F306 HydrophobicContact CG-CE1 4.05Å; R301-F306 VanDerWaalsContact NH2-CZ 3.27Å
302Y92.9Very high94Very high92 Ų9257.5 Ų57.536%0.36128%0.276SS..EExtended strand (participates in β ladder)trans-116.7105.4168.6178.8-101.3000109.2L28 Q304 K305L28-Y302 HydrophobicContact CD2-CD2 3.78Å; L28-Y302 HydrophobicContact CD2-CG 4.44Å; Y302-Q304 PolarHBondContact O-N 3.29Å; Y302-Q304 VanDerWaalsContact O-N 3.08Å; Y302-K305 PolarHBondContact N-O 3Å; Y302-K305 PolarHBondContact O-N 3.03Å
303R93Very high94Very high202 Ų20261 Ų6176%0.76228%0.281SS*.THydrogen-bonded Turntrans52.3-110.8-170.5-60.1-177.4172.9-175.4-2.7111.3R301R301-R303 WeakPolarHBondContact CD-O 3.4Å; R301-R303 VanDerWaalsContact CG-O 3.3Å; R301-R303 WeakPolarHBondContact CG-O 3.33Å
304Q93Very high93.9Very high157 Ų15763.3 Ų63.373%0.73430%0.297SS*.THydrogen-bonded Turntrans-96.1-6.3179.2-66.5176.5-8.600113.1Y302Y302-Q304 PolarHBondContact O-N 3.29Å; Y302-Q304 VanDerWaalsContact O-N 3.08Å
305K92.8Very high93.7Very high123 Ų12368.9 Ų68.954%0.53533%0.325SS..EExtended strand (participates in β ladder)trans-99.2154.1-178.5-59.4-171.2177.5-169.60111.3R301 Y302R301-K305 CarbonylContact C-O 3.58Å; R301-K305 WeakPolarHBondContact CA-O 3.35Å; Y302-K305 PolarHBondContact N-O 3Å; Y302-K305 PolarHBondContact O-N 3.03Å
306F94Very high93.6Very high12 Ų1271.5 Ų71.55%0.05334%0.336CS..EExtended strand (participates in β ladder)trans-112.3146.1170.7-56.9-89000109.7V11 Q275 P276 V281 I299 T300 R301V11-F306 WeakPolarHBondContact CG1-O 3.3Å; V11-F306 HydrophobicContact CG2-CB 4.19Å; Q275-F306 HydrophobicContact CG-CD2 4.45Å; Q275-F306 HydrophobicContact CG-CE2 4.02Å; P276-F306 HydrophobicContact CG-CB 3.84Å; P276-F306 HydrophobicContact CG-CD1 3.35Å; P276-F306 HydrophobicContact CG-CD2 3.81Å; P276-F306 HydrophobicContact CG-CE1 3.71Å; P276-F306 HydrophobicContact CG-CE2 4.15Å; P276-F306 HydrophobicContact CG-CG 3.38Å; P276-F306 HydrophobicContact CG-CZ 4.07Å; V281-F306 HydrophobicContact CG2-CD1 4.06Å; V281-F306 HydrophobicContact CG2-CE1 3.84Å; I299-F306 HydrophobicContact CG2-CB 4.23Å; I299-F306 HydrophobicContact CG2-CD1 4.41Å; T300-F306 WeakPolarHBondContact O-CA 3.26Å; R301-F306 HydrophobicContact CB-CD1 4.04Å; R301-F306 HydrophobicContact CB-CE1 4.12Å; R301-F306 HydrophobicContact CG-CD1 4.22Å; R301-F306 HydrophobicContact CG-CE1 4.05Å; R301-F306 VanDerWaalsContact NH2-CZ 3.27Å
307V93.2Very high93.5Very high27 Ų2772.7 Ų72.716%0.16434%0.341CS..EExtended strand (participates in β ladder)trans-133120.2178-179.70000107.5F14 I299 T300F14-V307 HydrophobicContact CE1-CG1 3.64Å; F14-V307 HydrophobicContact CZ-CG1 3.63Å; I299-V307 WeakPolarHBondContact CA-O 3.49Å; T300-V307 PolarHBondContact N-O 3.23Å; T300-V307 PolarHBondContact O-N 3.35Å
308S92.6Very high93.5Very high1 Ų176.2 Ų76.21%0.00736%0.356CS..EExtended strand (participates in β ladder)trans-91.5112.3169.5-171.80000108.4L273 S297L273-S308 VanDerWaalsContact CD1-CB 3.47Å; S297-S308 PolarHBondContact OG-OG 3.01Å
309T93Very high93.4Very high27 Ų2778.8 Ų78.817%0.16636%0.362CS..EExtended strand (participates in β ladder)trans-96.2136.1176.1-54.30000109S297 A298S297-T309 WeakPolarHBondContact CA-O 3.06Å; S297-T309 WeakPolarHBondContact CB-O 3.45Å; S297-T309 PolarHBondContact OG-O 3.27Å; A298-T309 PolarHBondContact N-O 3.25Å; A298-T309 PolarHBondContact O-N 3.33Å
310V94.8Very high93.3Very high23 Ų2383.3 Ų83.314%0.13938%0.382CS..EExtended strand (participates in β ladder)trans-119.5122.7173-173.80000108.4L260 V295 L296 Y312L260-V310 HydrophobicContact CD1-CG2 3.96Å; V295-V310 HydrophobicContact CG1-CG1 3.56Å; L296-V310 CarbonylContact O-C 3.54Å; L296-V310 WeakPolarHBondContact O-CA 3.29Å; V310-Y312 HydrophobicContact CB-CE2 4.43Å; V310-Y312 HydrophobicContact CG1-CD2 4.18Å; V310-Y312 HydrophobicContact CG1-CE2 3.56Å
311L92.3Very high93.2Very high37 Ų3787.1 Ų87.119%0.19440%0.396CS..EExtended strand (participates in β ladder)trans-109.4123.5179.1170.458.3000109.8V21 V295 L296 K313V21-L311 HydrophobicContact CG2-CD1 4Å; V295-L311 WeakPolarHBondContact CA-O 3.46Å; L296-L311 PolarHBondContact N-O 3.06Å; L296-L311 PolarHBondContact O-N 3.15Å; L311-K313 HydrophobicContact CG-CB 4.43Å
312Y95.2Very high93.1Very high116 Ų11684.2 Ų84.246%0.45539%0.39SS..EExtended strand (participates in β ladder)trans-100.9118.3168.9-67.4-101.5000108.9V15 V293 V295 V310V15-Y312 HydrophobicContact CG1-CD2 4.36Å; V15-Y312 HydrophobicContact CG1-CE2 4.32Å; V293-Y312 HydrophobicContact CG1-CD1 4.18Å; V295-Y312 HydrophobicContact CB-CD1 4.4Å; V295-Y312 HydrophobicContact CB-CE1 4.31Å; V295-Y312 HydrophobicContact CG1-CD1 4.16Å; V295-Y312 HydrophobicContact CG1-CD2 4.47Å; V295-Y312 HydrophobicContact CG1-CE1 3.83Å; V295-Y312 HydrophobicContact CG1-CE2 4.17Å; V295-Y312 HydrophobicContact CG1-CG 4.46Å; V295-Y312 HydrophobicContact CG2-CD1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CD1 3.47Å; V295-Y312 HydrophobicContact CG2-CE1 3.47Å; V295-Y312 VanDerWaalsContact CG2-CE1 3.47Å; V295-Y312 HydrophobicContact CG2-CG 4.32Å; V310-Y312 HydrophobicContact CB-CE2 4.43Å; V310-Y312 HydrophobicContact CG1-CD2 4.18Å; V310-Y312 HydrophobicContact CG1-CE2 3.56Å
313K92.8Very high93.1Very high110 Ų11083.6 Ų83.648%0.47839%0.393SS..EExtended strand (participates in β ladder)trans-130.4124.4-178.9-177.4176.3176.1179.90110.5I294 L311I294-K313 HydrophobicContact CG2-CB 3.9Å; I294-K313 WeakPolarHBondContact CG2-O 3.13Å; I294-K313 PolarHBondContact N-O 3.05Å; I294-K313 PolarHBondContact O-N 3.33Å; L311-K313 HydrophobicContact CG-CB 4.43Å
314P94.3Very high93.1Very high93 Ų9373.8 Ų73.860%0.60436%0.362SS*.EExtended strand (participates in β ladder)trans-60.7144.1170-22.733.9000111.7G292G292-P314 CarbonylContact O-C 3.53Å; G292-P314 VanDerWaalsContact O-CA 3.3Å; G292-P314 WeakPolarHBondContact O-CA 3.36Å
315I89.6Confident93.1Very high159 Ų15966.2 Ų66.282%0.81533%0.328SS*.  trans-107.60174.755.8159.6000112.3I289 G292 I294I289-I315 HydrophobicContact CD1-CD1 4.46Å; I289-I315 HydrophobicContact CG2-CD1 3.59Å; I289-I315 HydrophobicContact CG2-CG1 4.43Å; G292-I315 VanDerWaalsContact O-CG1 3.3Å; G292-I315 WeakPolarHBondContact O-CG1 3.43Å; G292-I315 PolarHBondContact O-N 3.17Å; I294-I315 HydrophobicContact CB-CG2 4.04Å; I294-I315 HydrophobicContact CG2-CG2 3.94Å

Retrieved 315 of 315 residues in 348.6 ms (Link to these results)