A0A087WR41_MOUSE Loading...

Serine protease 39

AlphaFold DB , UniProt , Accession A0A087WR41, Species MOUSE (Mus musculus, Mouse), Gene Prss39, Length 114 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
1M33.5Very low49.4Very low243 Ų243148.5 Ų148.5100%1.19783%0.825SS**  0117.20-70.116094.800106.8
2W42.7Very low49.9Very low238 Ų238149.1 Ų149.190%0.90283%0.826SS**  trans34.6115.7168.5-121-88.2000117.5
3G43.2Very low50.4Low64 Ų64155.8 Ų155.866%0.6683%0.831SS**  67.1119.467.600000109.1
4S44.7Very low50.5Low106 Ų106148.6 Ų148.674%0.74181%0.812SS**  -159.8128.583.9-73.30000111.4
5R54.7Low50.9Low226 Ų226141.6 Ų141.685%0.85379%0.788SS**  trans-56.2125.4158.4-177.8-174.1-64-115.8-0.1108.7
6A52.4Low51.3Low85 Ų85137.1 Ų137.170%0.70278%0.775SS**  trans-109.2108159.300000107.6Q8A6-Q8 PolarHBondContact O-N 2.86Å
7Q58.8Low51.8Low178 Ų178134.4 Ų134.483%0.83277%0.765SS**  trans-66.9120.1160.4-79.4166.7-91.200107.3
8Q49.9Very low52.6Low183 Ų183133.3 Ų133.386%0.85576%0.756SS**  trans-107.7109.7162-79.5171.86.500107.8A6 G10A6-Q8 PolarHBondContact O-N 2.86Å; Q8-G10 PolarHBondContact O-N 2.88Å
9S55.1Low53.6Low119 Ų119132.5 Ų132.583%0.83275%0.749SS**PPolyproline II helixtrans-52.2125.5168.544.90000110.2
10G57.3Low54.7Low69 Ų69128.4 Ų128.471%0.71173%0.732SS**PPolyproline II helixtrans-67143.1178.200000112.2Q8Q8-G10 PolarHBondContact O-N 2.88Å
11P51.4Low55.7Low122 Ų122124.9 Ų124.979%0.79272%0.719SS**PPolyproline II helixtrans-75.7135.717128.8-31000111R13P11-R13 PolarHBondContact O-N 3.28Å
12D54.7Low57.7Low156 Ų156120 Ų12083%0.83469%0.691SS**PPolyproline II helixtrans-50.8120.2178.4-85.1-48000112.7G14D12-G14 PolarHBondContact O-N 2.95Å
13R57Low59.2Low237 Ų237114.5 Ų114.589%0.89468%0.678SS**THydrogen-bonded Turntrans-66.41.2-176.3-87.5179.6174.7-136.4-0.5115.4P11P11-R13 PolarHBondContact O-N 3.28Å
14G52Low60.8Low55 Ų55117 Ų11757%0.56768%0.676SS**THydrogen-bonded Turntrans-90.6-32.3-174.100000115.8D12D12-G14 PolarHBondContact O-N 2.95Å
15G55.4Low62Low43 Ų43115.1 Ų115.144%0.44366%0.662SS.*THydrogen-bonded Turntrans-93.1-29.3-171.300000115.2L19G15-L19 PolarHBondContact O-N 3.45Å
16A58.3Low62.7Low70 Ų70110.5 Ų110.558%0.57965%0.649SS**Hα-helixtrans-72.2-33.1-174.900000113.3A20A16-A20 WeakPolarHBondContact O-CB 3.23Å; A16-A20 PolarHBondContact O-N 2.84Å
17C59Low63.3Low91 Ų91110.6 Ų110.662%0.61564%0.644SS**Hα-helixtrans-69.2-35.5178.7-76.60000112.8A21C17-A21 WeakPolarHBondContact O-CB 3.44Å; C17-A21 PolarHBondContact O-N 2.9Å
18L65.9Low63.5Low114 Ų114108.5 Ų108.560%0.59764%0.638SS**Hα-helixtrans-70.3-43.7179.3-68173.8000111A21 F22L18-A21 PolarHBondContact O-N 3.01Å; L18-F22 WeakPolarHBondContact O-CD2 3.39Å; L18-F22 PolarHBondContact O-N 3.32Å
19L72.2Confident63.9Low119 Ų119105.6 Ų105.662%0.62363%0.628SS**Hα-helixtrans-63.9-40.6174.9-69.1172.5000112.2G15 F22 L23G15-L19 PolarHBondContact O-N 3.45Å; L19-F22 PolarHBondContact O-N 3.24Å; L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.03Å
20A74.9Confident64Low49 Ų49106.6 Ų106.641%0.40562%0.619SS.*Hα-helixtrans-63.1-41.5174.500000112.2A16 L23 L24A16-A20 WeakPolarHBondContact O-CB 3.23Å; A16-A20 PolarHBondContact O-N 2.84Å; A20-L23 PolarHBondContact O-N 3.02Å; A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 VanDerWaalsContact O-CG 3.3Å; A20-L24 WeakPolarHBondContact O-CG 3.43Å; A20-L24 PolarHBondContact O-N 3.14Å
21A75.7Confident63.8Low55 Ų55107.1 Ų107.146%0.45562%0.617SS.*Hα-helixtrans-65.1-40.3176.100000112.3C17 L18 C25C17-A21 WeakPolarHBondContact O-CB 3.44Å; C17-A21 PolarHBondContact O-N 2.9Å; L18-A21 PolarHBondContact O-N 3.01Å; A21-C25 VanDerWaalsContact O-CB 3.23Å; A21-C25 WeakPolarHBondContact O-CB 3.34Å; A21-C25 PolarHBondContact O-N 3.48Å
22F76.9Confident63.6Low141 Ų141109.3 Ų109.362%0.61862%0.616SS**Hα-helixtrans-64.5-43.5175.7-94-78.5000112.7L18 L19 C25 F26L18-F22 WeakPolarHBondContact O-CD2 3.39Å; L18-F22 PolarHBondContact O-N 3.32Å; L19-F22 PolarHBondContact O-N 3.24Å; F22-C25 PolarHBondContact O-N 3.06Å; F22-F26 WeakPolarHBondContact O-CB 3.1Å; F22-F26 PolarHBondContact O-N 2.96Å
23L74.4Confident63.6Low122 Ų122108.5 Ų108.564%0.63961%0.612SS**Hα-helixtrans-67.7-37.9178.4-69.8173.1000112.7L19 A20 S27L19-L23 WeakPolarHBondContact O-CG 3.48Å; L19-L23 PolarHBondContact O-N 3.03Å; A20-L23 PolarHBondContact O-N 3.02Å; L23-S27 WeakPolarHBondContact O-CB 3.46Å; L23-S27 PolarHBondContact O-N 3.29Å; L23-S27 PolarHBondContact O-OG 3.45Å
24L74.9Confident63.4Low116 Ų116107.3 Ų107.361%0.60761%0.609SS**Hα-helixtrans-67.1-39.8173.8-72.1172.2000111.6A20 S27 L28A20-L24 WeakPolarHBondContact O-CB 3.46Å; A20-L24 VanDerWaalsContact O-CG 3.3Å; A20-L24 WeakPolarHBondContact O-CG 3.43Å; A20-L24 PolarHBondContact O-N 3.14Å; L24-S27 PolarHBondContact O-N 2.61Å; L24-L28 WeakPolarHBondContact O-CD1 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.35Å; L24-L28 PolarHBondContact O-N 3.24Å; L24-L28 VanDerWaalsContact O-N 3.11Å
25C71.8Confident63.4Low67 Ų67109.9 Ų109.945%0.45361%0.614SS.*Hα-helixtrans-66.5-42.3176.1-163.50000112A21 F22 S27 L28 L29A21-C25 VanDerWaalsContact O-CB 3.23Å; A21-C25 WeakPolarHBondContact O-CB 3.34Å; A21-C25 PolarHBondContact O-N 3.48Å; F22-C25 PolarHBondContact O-N 3.06Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 2.97Å; C25-L28 PolarHBondContact O-N 2.99Å; C25-L29 PolarHBondContact O-N 3.33Å
26F68.3Low63.3Low129 Ų129112.2 Ų112.257%0.56662%0.621SS**Hα-helixtrans-62.8-35.5174.7-105.3-93000112.8F22 H30F22-F26 WeakPolarHBondContact O-CB 3.1Å; F22-F26 PolarHBondContact O-N 2.96Å; F26-H30 AromaticContact CD1-CE1 3.92Å; F26-H30 PolarHBondContact O-N 3.35Å; F26-H30 PolarHBondContact O-ND1 3.16Å
27S65.1Low63Low87 Ų87114.1 Ų114.161%0.60863%0.63SS**Hα-helixtrans-69.7-34.4176.3-55.90000112.2L23 L24 C25L23-S27 WeakPolarHBondContact O-CB 3.46Å; L23-S27 PolarHBondContact O-N 3.29Å; L23-S27 PolarHBondContact O-OG 3.45Å; L24-S27 PolarHBondContact O-N 2.61Å; C25-S27 VanDerWaalsContact C-N 3.31Å; C25-S27 PolarHBondContact O-N 2.97Å
28L62.1Low62.3Low134 Ų134118.6 Ų118.670%0.70264%0.642SS**Hα-helixtrans-77.7-29.2176.3-72.5160.7000112.6L24 C25 H30 A31L24-L28 WeakPolarHBondContact O-CD1 3.32Å; L24-L28 WeakPolarHBondContact O-CG 3.35Å; L24-L28 PolarHBondContact O-N 3.24Å; L24-L28 VanDerWaalsContact O-N 3.11Å; C25-L28 PolarHBondContact O-N 2.99Å; L28-H30 VanDerWaalsContact C-N 3.34Å; L28-A31 PolarHBondContact O-N 3.25Å
29L58.7Low61.8Low123 Ų123119 Ų11964%0.64465%0.65SS**Hα-helixtrans-73.6-20.3176.2-108.872.2000114.1C25 A31C25-L29 PolarHBondContact O-N 3.33Å; L29-A31 VanDerWaalsContact C-N 3.33Å
30H57.8Low61.2Low139 Ų139118.4 Ų118.464%0.64465%0.653SS**THydrogen-bonded Turntrans-87.51.5175-74.486.5000113.8F26 L28 Q32F26-H30 AromaticContact CD1-CE1 3.92Å; F26-H30 PolarHBondContact O-N 3.35Å; F26-H30 PolarHBondContact O-ND1 3.16Å; L28-H30 VanDerWaalsContact C-N 3.34Å; H30-Q32 PolarHBondContact O-N 2.89Å
31A52.7Low60.6Low81 Ų81121.3 Ų121.367%0.66967%0.668SS**  trans-76.251.4163.700000110L28 L29 D33L28-A31 PolarHBondContact O-N 3.25Å; L29-A31 VanDerWaalsContact C-N 3.33Å; A31-D33 PolarHBondContact O-N 2.96Å
32Q47.7Very low59.8Low167 Ų167124.3 Ų124.378%0.7868%0.682SS**  trans-75.5120.5161.7-79.5-178.3-38.900106.7H30 Y34H30-Q32 PolarHBondContact O-N 2.89Å; Q32-Y34 PolarHBondContact O-N 2.89Å
33D53.7Low58.9Low139 Ų139124 Ų12474%0.74369%0.692SS**  trans-32.4103.7172.5-66-77.9000112.1A31 T35A31-D33 PolarHBondContact O-N 2.96Å; D33-T35 HydrophobicContact CB-CG2 4.44Å; D33-T35 PolarHBondContact O-N 2.82Å; D33-T35 PolarHBondContact O-OG1 3.37Å
34Y52.8Low58.5Low213 Ų213122.3 Ų122.384%0.83569%0.691SS**  trans-69.376.7154.9-176.5-99.9000106.4Q32 P36Q32-Y34 PolarHBondContact O-N 2.89Å; Y34-P36 HydrophobicContact CE1-CB 4.29Å; Y34-P36 WeakPolarHBondContact O-CD 3.35Å
35T53.7Low58.3Low109 Ų109124.4 Ų124.467%0.66970%0.702SS**  trans-72.6108.7164190000105.3D33 S37D33-T35 HydrophobicContact CB-CG2 4.44Å; D33-T35 PolarHBondContact O-N 2.82Å; D33-T35 PolarHBondContact O-OG1 3.37Å; T35-S37 PolarHBondContact O-N 2.84Å
36P52.7Low57.8Low92 Ų92126.2 Ų126.260%0.59771%0.712SS**  trans-61.5112.4173.225.1-31.1000107.3Y34 Q38Y34-P36 HydrophobicContact CE1-CB 4.29Å; Y34-P36 WeakPolarHBondContact O-CD 3.35Å; P36-Q38 PolarHBondContact O-N 3.09Å; P36-Q38 VanDerWaalsContact O-N 3.11Å
37S51.7Low57.7Low110 Ų110126 Ų12677%0.76973%0.727SS**  trans-47.8117.6174.7-174.90000109.1T35 T39T35-S37 PolarHBondContact O-N 2.84Å; S37-T39 PolarHBondContact O-N 3.27Å; S37-T39 VanDerWaalsContact O-N 3.09Å
38Q43.8Very low57.5Low184 Ų184127.1 Ų127.186%0.8673%0.725SS**  trans-64.9108.4171.1-66.5-175.47.500107.9P36P36-Q38 PolarHBondContact O-N 3.09Å; P36-Q38 VanDerWaalsContact O-N 3.11Å
39T56.2Low57.5Low123 Ų123129.4 Ų129.476%0.75573%0.729SS**PPolyproline II helixtrans-54.2129.7161.9-54.10000108.2S37S37-T39 PolarHBondContact O-N 3.27Å; S37-T39 VanDerWaalsContact O-N 3.09Å
40P60.4Low57.6Low106 Ų106128.8 Ų128.869%0.68873%0.733SS**PPolyproline II helixtrans-57.5138176.523-32.3000109.8
41P60.6Low57.7Low111 Ų111130 Ų13072%0.72173%0.732SS**PPolyproline II helixtrans-62.3136.8179.925-33000110T43P41-T43 PolarHBondContact O-N 3.26Å
42P58.8Low57.9Low117 Ų117129.2 Ų129.276%0.7673%0.731SS**  trans-64.2110.4166.625.3-30.3000108.6S44P42-S44 VanDerWaalsContact C-N 3.33Å; P42-S44 PolarHBondContact O-N 3.06Å
43T58.1Low58.4Low134 Ų134131.9 Ų131.982%0.82273%0.734SS**  trans-61.292.9167.814.20000108.8P41P41-T43 PolarHBondContact O-N 3.26Å
44S67.6Low58.5Low88 Ų88130 Ų13062%0.61573%0.728SS**  trans-113.894.5162.551.20000107.5P42 T46P42-S44 VanDerWaalsContact C-N 3.33Å; P42-S44 PolarHBondContact O-N 3.06Å; S44-T46 VanDerWaalsContact C-N 3.26Å; S44-T46 PolarHBondContact O-N 3.37Å
45N69.1Low58.8Low159 Ų159126.1 Ų126.185%0.8572%0.717SS**  trans-65.492.1167.9-69.6-13.9000107.7
46T61.2Low59.1Low105 Ų105128.7 Ų128.764%0.64472%0.719SS**  trans-145.2118.4166-55.60000106.7S44 L48S44-T46 VanDerWaalsContact C-N 3.26Å; S44-T46 PolarHBondContact O-N 3.37Å; T46-L48 WeakPolarHBondContact O-CG 3.4Å; T46-L48 PolarHBondContact O-N 2.88Å
47S66.8Low59.9Low126 Ų126131.2 Ų131.288%0.88172%0.723SS**  trans-40100.3177.4-174.40000111.7K49S47-K49 PolarHBondContact O-N 2.88Å
48L61.1Low61.5Low109 Ų109132.8 Ų132.857%0.57172%0.722SS**  trans-83.299.6179-67.4178.2000108.4T46 R51T46-L48 WeakPolarHBondContact O-CG 3.4Å; T46-L48 PolarHBondContact O-N 2.88Å; L48-R51 VanDerWaalsContact CD1-NH2 3.35Å; L48-R51 VanDerWaalsContact CD2-CZ 3.42Å; L48-R51 VanDerWaalsContact CD2-NH2 3.31Å
49K63.1Low63.8Low182 Ų182127.8 Ų127.879%0.79171%0.706SS**  trans-45.5135.2150.6-172.9177-175.4-178.20107.9S47 R51S47-K49 PolarHBondContact O-N 2.88Å; K49-R51 PolarHBondContact O-N 3.38Å
50P60.3Low65.5Low111 Ų111124.8 Ų124.872%0.72170%0.699SS**  trans-59.9107.6-174.2-2030.4000109.9G52P50-G52 PolarHBondContact O-N 2.76Å
51R60.1Low67Low165 Ų165125.6 Ų125.662%0.62369%0.692SS**THydrogen-bonded Turntrans-640.9178.2-75.4-170.7-82.5-144-1.3113.5L48 K49 R53L48-R51 VanDerWaalsContact CD1-NH2 3.35Å; L48-R51 VanDerWaalsContact CD2-CZ 3.42Å; L48-R51 VanDerWaalsContact CD2-NH2 3.31Å; K49-R51 PolarHBondContact O-N 3.38Å; R51-R53 PolarHBondContact O-N 3.29Å
52G56.6Low68.4Low64 Ų64122.6 Ų122.666%0.6667%0.672SS**Hα-helixtrans-69.4-25.7-177.700000114.9P50P50-G52 PolarHBondContact O-N 2.76Å
53R57.7Low69.9Low222 Ų222125.5 Ų125.584%0.83867%0.673SS**Hα-helixtrans-86-27.1-177.3-164.1177.7-71.7-161-0.3113.9R51R51-R53 PolarHBondContact O-N 3.29Å
54V57.2Low71.4Confident101 Ų101121.7 Ų121.761%0.61265%0.645SS**Hα-helixtrans-83.5-30.4-174.8-177.50000112.4
55Q58.7Low72.5Confident130 Ų130126.1 Ų126.161%0.60766%0.655SS**Hα-helixtrans-71.1-33.4-175.7-72.7-88.2-15.300113.5E57 L58Q55-E57 PolarHBondContact O-N 2.86Å; Q55-L58 PolarHBondContact O-N 2.68Å
56K59.1Low73.6Confident163 Ų163121.7 Ų121.771%0.70965%0.648SS**THydrogen-bonded Turntrans-69.4-18.2-176.4-164.8176.4-178.2179.50113.9K61K56-K61 WeakPolarHBondContact O-CE 3.32Å
57E69.7Low75.1Confident146 Ų146124.3 Ų124.368%0.68265%0.65SS**THydrogen-bonded Turntrans-82.3-23.4179.8-69.5-81.113300112.5Q55Q55-E57 PolarHBondContact O-N 2.86Å
58L85.8Confident76.2Confident142 Ų142123.3 Ų123.374%0.74363%0.634SS**THydrogen-bonded Turntrans-100.3-27.9-164.9-66170.2000115.1Q55Q55-L58 PolarHBondContact O-N 2.68Å
59C91.6Very high77.8Confident80 Ų80126.6 Ų126.654%0.54164%0.64SS.*SBendtrans-118.9163.4-17468.70000113K61C59-K61 PolarHBondContact O-N 3.11Å; C59-K61 VanDerWaalsContact O-N 3.16Å
60G91.5Very high79.3Confident59 Ų59122.1 Ų122.161%0.60865%0.645SS**SBendtrans66.715.3173.500000115.9W81G60-W81 VanDerWaalsContact C-CZ3 3.45Å
61K91.6Very high80.9Confident124 Ų124119.7 Ų119.754%0.53964%0.641SS.*  trans-91.1118.6178.2-58.3-61.3-174.7173.30111.5K56 C59 W81K56-K61 WeakPolarHBondContact O-CE 3.32Å; C59-K61 PolarHBondContact O-N 3.11Å; C59-K61 VanDerWaalsContact O-N 3.16Å; K61-W81 WeakPolarHBondContact O-CZ3 2.96Å
62T91.6Very high82.4Confident47 Ų47120 Ų12029%0.28865%0.649SS.*  trans-116150.2170.71750000110.1F64 R78 W79 W81T62-F64 HydrophobicContact CG2-CB 4.07Å; T62-F64 PolarHBondContact O-N 2.93Å; T62-F64 WeakPolarHBondContact OG1-CB 3.34Å; T62-F64 PolarHBondContact OG1-N 3.29Å; T62-R78 WeakPolarHBondContact CB-O 3.34Å; T62-R78 PolarHBondContact OG1-O 3.29Å; T62-W79 HydrophobicContact CG2-CE3 4.48Å; T62-W79 HydrophobicContact CG2-CZ3 3.93Å; T62-W81 HydrophobicContact CG2-CH2 4.15Å
63K89.1Confident84.2Confident179 Ų179124.6 Ų124.678%0.77866%0.657SS**SBendtrans-75.2-6.3168.4-63.1177.5-177.8169.40112.2
64F91Very high85.9Confident54 Ų54116.3 Ų116.324%0.23764%0.636CS.*  trans-76.6136.3176.4-172.9-113.7000111.5T62 G66 I68 R78 W79T62-F64 HydrophobicContact CG2-CB 4.07Å; T62-F64 PolarHBondContact O-N 2.93Å; T62-F64 WeakPolarHBondContact OG1-CB 3.34Å; T62-F64 PolarHBondContact OG1-N 3.29Å; F64-G66 WeakPolarHBondContact CE1-O 3.38Å; F64-I68 HydrophobicContact CE1-CD1 4.39Å; F64-I68 HydrophobicContact CE1-CG1 3.69Å; F64-I68 HydrophobicContact CZ-CG1 3.86Å; F64-R78 HydrophobicContact CB-CG 4.25Å; F64-R78 VanDerWaalsContact CD2-NH1 3.25Å; F64-W79 HydrophobicContact CB-CH2 4.14Å; F64-W79 HydrophobicContact CB-CZ2 4.31Å; F64-W79 AromaticContact CD1-CH2 3.67Å; F64-W79 HydrophobicContact CD1-CH2 3.67Å; F64-W79 AromaticContact CD1-CZ2 3.96Å; F64-W79 HydrophobicContact CD1-CZ2 3.96Å; F64-W79 HydrophobicContact CE1-CH2 4.45Å; F64-W79 HydrophobicContact CG-CH2 4.14Å; F64-W79 HydrophobicContact CG-CZ2 4.16Å
65Q90.4Very high87.6Confident180 Ų180119 Ų11984%0.84164%0.639SS**  trans-126.1138.9171.9-63.9-179.2-8.700108.7
66G90.9Very high89.1Confident67 Ų67117.3 Ų117.369%0.69165%0.648SS**SBendtrans106.3-165.517800000114.6F64F64-G66 WeakPolarHBondContact CE1-O 3.38Å
67K92.4Very high90.5Very high159 Ų159116.8 Ų116.869%0.69165%0.648SS**  trans-108.2150.4-179.5-67.5177.2-179.7178.70110.1Y69K67-Y69 HydrophobicContact CB-CD2 4.32Å; K67-Y69 HydrophobicContact CB-CE2 3.53Å; K67-Y69 HydrophobicContact CD-CE2 4.49Å; K67-Y69 WeakPolarHBondContact CD-OH 3.45Å
68I90.8Very high91.7Very high105 Ų105112.5 Ų112.554%0.53863%0.625SS.*  trans-96127.1178.1-54.7173.1000108.5F64 W79F64-I68 HydrophobicContact CE1-CD1 4.39Å; F64-I68 HydrophobicContact CE1-CG1 3.69Å; F64-I68 HydrophobicContact CZ-CG1 3.86Å; I68-W79 HydrophobicContact CD1-CH2 4.15Å; I68-W79 HydrophobicContact CD1-CZ2 3.69Å
69Y95.1Very high92.1Very high179 Ų179109.9 Ų109.970%0.70261%0.606SS**  trans-129.7136.9173.1-58.6-81.2000108.4K67 G71K67-Y69 HydrophobicContact CB-CD2 4.32Å; K67-Y69 HydrophobicContact CB-CE2 3.53Å; K67-Y69 HydrophobicContact CD-CE2 4.49Å; K67-Y69 WeakPolarHBondContact CD-OH 3.45Å; Y69-G71 PolarHBondContact O-N 2.04Å
70G95.1Very high92.2Very high87 Ų87109.7 Ų109.790%0.89760%0.603SS**SBendtrans51.449.4174.900000114.2
71G92.5Very high92.4Very high61 Ų61109.9 Ų109.963%0.62959%0.586SS**  trans-43.8156.1-160.300000118Y69Y69-G71 PolarHBondContact O-N 2.04Å
72Q92Very high92.7Very high172 Ų172110 Ų11080%0.80459%0.588SS**  trans-128.9169.2-178.660.9179.786.600110.9A74Q72-A74 PolarHBondContact O-N 3.16Å
73I94.1Very high92.9Very high160 Ų160108.9 Ų108.982%0.82158%0.584SS**PPolyproline II helixtrans-57.3126.7172.7-63.2173.8000109.4
74A93.5Very high93.3Very high48 Ų48103.2 Ų103.240%0.39757%0.567SS.*PPolyproline II helixtrans-73141.7177.400000110.6Q72 R78Q72-A74 PolarHBondContact O-N 3.16Å; A74-R78 HydrophobicContact CB-CB 4.21Å
75K92.6Very high93.6Very high156 Ų156102 Ų10268%0.67856%0.562SS**PPolyproline II helixtrans-62151.6166.5-68.2-177179.7-177.40109.3E77 R78K75-E77 PolarHBondContact O-N 2.99Å; K75-R78 VanDerWaalsContact O-CB 3.23Å; K75-R78 WeakPolarHBondContact O-CB 3.27Å; K75-R78 PolarHBondContact O-N 3.15Å; K75-R78 VanDerWaalsContact O-N 3.14Å
76A90.8Very high93.9Very high96 Ų9698.8 Ų98.879%0.79355%0.55SS**THydrogen-bonded Turntrans-49.2141.6171.900000110.7R78A76-R78 PolarHBondContact O-N 3.03Å
77E88.7Confident94.1Very high151 Ų15199.9 Ų99.971%0.70654%0.536SS*.THydrogen-bonded Turntrans60.58.2-179.8-49.3-175.7142.900116.2K75 W79 P80K75-E77 PolarHBondContact O-N 2.99Å; E77-W79 PolarHBondContact O-N 2.77Å; E77-P80 WeakPolarHBondContact O-CD 3.2Å; E77-P80 WeakPolarHBondContact O-CG 3.46Å
78R93.7Very high94.2Very high56 Ų56102.4 Ų102.421%0.21154%0.541CS..SBendtrans-60-36.2175.1-1707872.7842.6111.5T62 F64 A74 K75 A76T62-R78 WeakPolarHBondContact CB-O 3.34Å; T62-R78 PolarHBondContact OG1-O 3.29Å; F64-R78 HydrophobicContact CB-CG 4.25Å; F64-R78 VanDerWaalsContact CD2-NH1 3.25Å; A74-R78 HydrophobicContact CB-CB 4.21Å; K75-R78 VanDerWaalsContact O-CB 3.23Å; K75-R78 WeakPolarHBondContact O-CB 3.27Å; K75-R78 PolarHBondContact O-N 3.15Å; K75-R78 VanDerWaalsContact O-N 3.14Å; A76-R78 PolarHBondContact O-N 3.03Å
79W94.6Very high94.5Very high87 Ų87100.9 Ų100.933%0.3355%0.551SS.*SBendtrans-124.980.1179.9-53.5109.7000108.1T62 F64 I68 E77 W81 Q82T62-W79 HydrophobicContact CG2-CE3 4.48Å; T62-W79 HydrophobicContact CG2-CZ3 3.93Å; F64-W79 HydrophobicContact CB-CH2 4.14Å; F64-W79 HydrophobicContact CB-CZ2 4.31Å; F64-W79 AromaticContact CD1-CH2 3.67Å; F64-W79 HydrophobicContact CD1-CH2 3.67Å; F64-W79 AromaticContact CD1-CZ2 3.96Å; F64-W79 HydrophobicContact CD1-CZ2 3.96Å; F64-W79 HydrophobicContact CE1-CH2 4.45Å; F64-W79 HydrophobicContact CG-CH2 4.14Å; F64-W79 HydrophobicContact CG-CZ2 4.16Å; I68-W79 HydrophobicContact CD1-CH2 4.15Å; I68-W79 HydrophobicContact CD1-CZ2 3.69Å; E77-W79 PolarHBondContact O-N 2.77Å; W79-W81 HydrophobicContact CE3-CH2 4.21Å; W79-W81 AromaticContact CE3-CZ2 3.57Å; W79-W81 HydrophobicContact CE3-CZ2 3.57Å; W79-W81 HydrophobicContact CZ3-CZ2 4.04Å; W79-W81 PolarHBondContact O-N 3.46Å; W79-Q82 HydrophobicContact CB-CB 4.11Å; W79-Q82 WeakPolarHBondContact O-CB 3.44Å; W79-Q82 PolarHBondContact O-N 3.03Å
80P93.9Very high94.6Very high76 Ų76101.5 Ų101.549%0.49455%0.553SS.*THydrogen-bonded Turntrans-60-23.6-168.8-25.233.8000114.5E77E77-P80 WeakPolarHBondContact O-CD 3.2Å; E77-P80 WeakPolarHBondContact O-CG 3.46Å
81W96Very high94.6Very high64 Ų64103.1 Ų103.124%0.24254%0.537CS..THydrogen-bonded Turntrans-85.2-8.1178.751.280.9000114G60 K61 T62 W79 A83 V96 L97G60-W81 VanDerWaalsContact C-CZ3 3.45Å; K61-W81 WeakPolarHBondContact O-CZ3 2.96Å; T62-W81 HydrophobicContact CG2-CH2 4.15Å; W79-W81 HydrophobicContact CE3-CH2 4.21Å; W79-W81 AromaticContact CE3-CZ2 3.57Å; W79-W81 HydrophobicContact CE3-CZ2 3.57Å; W79-W81 HydrophobicContact CZ3-CZ2 4.04Å; W79-W81 PolarHBondContact O-N 3.46Å; W81-A83 PolarHBondContact O-N 2.94Å; W81-V96 HydrophobicContact CB-CG1 4.03Å; W81-V96 HydrophobicContact CG-CG1 4.21Å; W81-V96 CarbonylContact O-C 3.48Å; W81-V96 VanDerWaalsContact O-CA 3.32Å; W81-V96 WeakPolarHBondContact O-CA 3.21Å; W81-L97 HydrophobicContact CB-CB 4.2Å; W81-L97 PolarHBondContact O-N 3.33Å
82Q97.1Very high94.8Very high126 Ų126104.1 Ų104.159%0.58953%0.526SS*.EExtended strand (participates in β ladder)trans-71.7122.9-178.8-176.867.63.900110.6W79W79-Q82 HydrophobicContact CB-CB 4.11Å; W79-Q82 WeakPolarHBondContact O-CB 3.44Å; W79-Q82 PolarHBondContact O-N 3.03Å
83A97.1Very high95.1Very high24 Ų2496.9 Ų96.920%0.19850%0.495CS..EExtended strand (participates in β ladder)trans-124.9155.4178.800000112W81 A95 L103W81-A83 PolarHBondContact O-N 2.94Å; A83-A95 HydrophobicContact CB-CB 4.08Å; A83-A95 PolarHBondContact N-O 3.06Å; A83-A95 PolarHBondContact O-N 3.32Å; A83-L103 HydrophobicContact CB-CD1 4.39Å; A83-L103 HydrophobicContact CB-CD2 3.59Å
84S96.8Very high95.3Very high59 Ų5991 Ų9141%0.41347%0.473SS..EExtended strand (participates in β ladder)trans-111.1122.8176.1175.50000109.1H91S84-H91 PolarHBondContact OG-ND1 3.11Å
85L97.1Very high95.5Very high28 Ų2888.8 Ų88.815%0.14746%0.455CS..EExtended strand (participates in β ladder)trans-80.3122.5167.9-62.4-176.3000108.6H91 I92 C93 A95 S105 C109 F110L85-H91 WeakPolarHBondContact O-CA 3.16Å; L85-I92 HydrophobicContact CB-CD1 4.41Å; L85-I92 HydrophobicContact CB-CG1 3.94Å; L85-I92 WeakPolarHBondContact O-CG1 3.5Å; L85-I92 PolarHBondContact O-N 2.9Å; L85-C93 HydrophobicContact CB-CB 4.24Å; L85-C93 WeakPolarHBondContact CB-O 2.99Å; L85-C93 HydrophobicContact CD1-CB 3.95Å; L85-C93 HydrophobicContact CG-CB 4.44Å; L85-C93 PolarHBondContact N-O 3.46Å; L85-A95 HydrophobicContact CD1-CB 4.42Å; L85-A95 HydrophobicContact CD2-CB 3.89Å; L85-A95 HydrophobicContact CG-CB 3.93Å; L85-S105 WeakPolarHBondContact CD1-OG 3.22Å; L85-C109 HydrophobicContact CD1-CB 4.32Å; L85-F110 HydrophobicContact CD1-CE1 4.08Å; L85-F110 HydrophobicContact CD1-CE2 4.47Å; L85-F110 HydrophobicContact CD1-CZ 3.69Å
86I96.8Very high95.8Very high114 Ų11484.1 Ų84.159%0.58544%0.44SS*.EExtended strand (participates in β ladder)trans-116.8123.6-177.9-60.3176.8000108.6R90I86-R90 CarbonylContact C-O 3.56Å; I86-R90 VanDerWaalsContact CA-O 3.27Å; I86-R90 WeakPolarHBondContact CA-O 3.46Å
87F94.7Very high96.1Very high90 Ų9083.6 Ų83.640%0.39542%0.423SS..EExtended strand (participates in β ladder)trans-124.1127.6174.1-178-101.7000109.4G89 R90 I92F87-G89 PolarHBondContact O-N 3.41Å; F87-R90 PolarHBondContact N-O 2.92Å; F87-R90 PolarHBondContact O-N 3.43Å; F87-I92 HydrophobicContact CB-CD1 3.7Å; F87-I92 HydrophobicContact CB-CG1 4.13Å; F87-I92 HydrophobicContact CB-CG2 3.89Å
88R95.6Very high96.4Very high211 Ų21181.2 Ų81.280%0.79641%0.414SS*.THydrogen-bonded Turntrans49.944.4-175.2-64-179.9173.7-179.4-4112.8R90R88-R90 PolarHBondContact O-N 2.82Å
89G97.1Very high96.4Very high73 Ų7383 Ų8375%0.75343%0.428SS*.THydrogen-bonded Turntrans74.23.8178.600000115.5F87F87-G89 PolarHBondContact O-N 3.41Å
90R96.4Very high96.3Very high193 Ų19387.9 Ų87.973%0.72845%0.451SS*.EExtended strand (participates in β ladder)trans-115.2138.3179.5-62.6-176.867.3-178.8-0.2111.5I86 F87 R88 I92I86-R90 CarbonylContact C-O 3.56Å; I86-R90 VanDerWaalsContact CA-O 3.27Å; I86-R90 WeakPolarHBondContact CA-O 3.46Å; F87-R90 PolarHBondContact N-O 2.92Å; F87-R90 PolarHBondContact O-N 3.43Å; R88-R90 PolarHBondContact O-N 2.82Å; R90-I92 PolarHBondContact O-N 3.22Å
91H96.6Very high96.4Very high121 Ų12189.9 Ų89.956%0.5646%0.462SS*.EExtended strand (participates in β ladder)trans-58.7128.2166.4179.5108000109.2S84 L85 C93S84-H91 PolarHBondContact OG-ND1 3.11Å; L85-H91 WeakPolarHBondContact O-CA 3.16Å; H91-C93 PolarHBondContact CE1-O 2.79Å; H91-C93 VanDerWaalsContact CE1-O 3.29Å; H91-C93 PolarHBondContact NE2-O 3.4Å
92I96.4Very high96.4Very high81 Ų8194.7 Ų94.742%0.41548%0.481SS..EExtended strand (participates in β ladder)trans-116.8-30.9177.856160000113.2L85 F87 R90L85-I92 HydrophobicContact CB-CD1 4.41Å; L85-I92 HydrophobicContact CB-CG1 3.94Å; L85-I92 WeakPolarHBondContact O-CG1 3.5Å; L85-I92 PolarHBondContact O-N 2.9Å; F87-I92 HydrophobicContact CB-CD1 3.7Å; F87-I92 HydrophobicContact CB-CG1 4.13Å; F87-I92 HydrophobicContact CB-CG2 3.89Å; R90-I92 PolarHBondContact O-N 3.22Å
93C97.9Very high96.5Very high21 Ų2192.9 Ų92.914%0.14247%0.474CS..EExtended strand (participates in β ladder)trans-160.5163.8-177.1-90.40000111.4L85 H91 C109L85-C93 HydrophobicContact CB-CB 4.24Å; L85-C93 WeakPolarHBondContact CB-O 2.99Å; L85-C93 HydrophobicContact CD1-CB 3.95Å; L85-C93 HydrophobicContact CG-CB 4.44Å; L85-C93 PolarHBondContact N-O 3.46Å; H91-C93 PolarHBondContact CE1-O 2.79Å; H91-C93 VanDerWaalsContact CE1-O 3.29Å; H91-C93 PolarHBondContact NE2-O 3.4Å; C93-C109 HydrophobicContact CB-CB 3.66Å; C93-C109 WeakPolarHBondContact CB-SG 3.33Å; C93-C109 WeakPolarHBondContact SG-CB 3.35Å; C93-C109 CovalentContact SG-SG 2.04Å; C93-C109 PolarHBondContact SG-SG 3.47Å
94G97.8Very high96.5Very high35 Ų3596.7 Ų96.736%0.36149%0.491SS..EExtended strand (participates in β ladder)trans-81.8159.9165.300000113S105G94-S105 PolarHBondContact O-OG 3.38Å
95A98.3Very high96.5Very high3 Ų395.6 Ų95.63%0.02548%0.483CS..EExtended strand (participates in β ladder)trans-148.2164.9169.300000111A83 L85 L103 L104A83-A95 HydrophobicContact CB-CB 4.08Å; A83-A95 PolarHBondContact N-O 3.06Å; A83-A95 PolarHBondContact O-N 3.32Å; L85-A95 HydrophobicContact CD1-CB 4.42Å; L85-A95 HydrophobicContact CD2-CB 3.89Å; L85-A95 HydrophobicContact CG-CB 3.93Å; A95-L103 HydrophobicContact CB-CB 4.37Å; A95-L103 HydrophobicContact CB-CD2 4.31Å; A95-L104 CarbonylContact C-O 3.57Å; A95-L104 WeakPolarHBondContact CA-O 3.45Å; A95-L104 WeakPolarHBondContact CB-O 3.48Å
96V98Very high96.5Very high58 Ų5896.1 Ų96.135%0.35249%0.492SS..EExtended strand (participates in β ladder)trans-126.5128.3-179.9-179.80000110.3W81 I98 L103 L104W81-V96 HydrophobicContact CB-CG1 4.03Å; W81-V96 HydrophobicContact CG-CG1 4.21Å; W81-V96 CarbonylContact O-C 3.48Å; W81-V96 VanDerWaalsContact O-CA 3.32Å; W81-V96 WeakPolarHBondContact O-CA 3.21Å; V96-I98 HydrophobicContact CG1-CG2 4.47Å; V96-I98 PolarHBondContact O-N 3.37Å; V96-L103 CarbonylContact O-C 3.54Å; V96-L103 WeakPolarHBondContact O-CA 3.3Å; V96-L104 PolarHBondContact N-O 2.88Å; V96-L104 PolarHBondContact O-N 3.38Å
97L96.6Very high96.4Very high85 Ų8593.7 Ų93.745%0.44549%0.489SS..EExtended strand (participates in β ladder)trans-70.2117.2172.9-168.372.6000110.2W81 D99 L103W81-L97 HydrophobicContact CB-CB 4.2Å; W81-L97 PolarHBondContact O-N 3.33Å; L97-D99 WeakPolarHBondContact CD1-O 3.39Å; L97-D99 WeakPolarHBondContact CG-O 3.43Å; L97-L103 HydrophobicContact CB-CD2 4.06Å; L97-L103 HydrophobicContact CD1-CD2 3.98Å; L97-L103 HydrophobicContact CD1-CG 4.39Å
98I95.8Very high96.4Very high100 Ų10096 Ų9651%0.51350%0.5SS..EExtended strand (participates in β ladder)trans-109.7-20.8-179.158.7164.7000112.6V96 W102 L104V96-I98 HydrophobicContact CG1-CG2 4.47Å; V96-I98 PolarHBondContact O-N 3.37Å; I98-W102 HydrophobicContact CD1-CB 4.19Å; I98-W102 HydrophobicContact CG1-CB 3.85Å; I98-W102 WeakPolarHBondContact CG1-O 3.23Å; I98-W102 PolarHBondContact N-O 3.48Å; I98-L104 HydrophobicContact CD1-CB 4.26Å; I98-L104 HydrophobicContact CG2-CB 3.85Å; I98-L104 HydrophobicContact CG2-CD2 4.43Å
99D94Very high96.4Very high93 Ų9387 Ų8750%0.49747%0.469SS..EExtended strand (participates in β ladder)trans-154174.1172.5-157-15.9000109.6L97 T101 W102L97-D99 WeakPolarHBondContact CD1-O 3.39Å; L97-D99 WeakPolarHBondContact CG-O 3.43Å; D99-T101 PolarHBondContact O-N 2.95Å; D99-W102 HydrophobicContact CB-CB 4.04Å; D99-W102 PolarHBondContact N-O 3.03Å; D99-W102 PolarHBondContact O-N 3.05Å
100K92.6Very high96Very high191 Ų19190.1 Ų90.183%0.8346%0.462SS*.THydrogen-bonded Turntrans-50.3-31.3-178.4-64.6179.7-179.1-179.70114.1
101T95.9Very high95.6Very high118 Ų11887.6 Ų87.672%0.72446%0.459SS*.THydrogen-bonded Turntrans-131.112.3-176.161.10000112.9D99D99-T101 PolarHBondContact O-N 2.95Å
102W96.6Very high94.2Very high165 Ų16590.9 Ų90.963%0.62547%0.466SS*.EExtended strand (participates in β ladder)trans-127.2127.2-174.8-69.2102.4000111.9I98 D99I98-W102 HydrophobicContact CD1-CB 4.19Å; I98-W102 HydrophobicContact CG1-CB 3.85Å; I98-W102 WeakPolarHBondContact CG1-O 3.23Å; I98-W102 PolarHBondContact N-O 3.48Å; D99-W102 HydrophobicContact CB-CB 4.04Å; D99-W102 PolarHBondContact N-O 3.03Å; D99-W102 PolarHBondContact O-N 3.05Å
103L97.8Very high92.5Very high87 Ų8792.9 Ų92.946%0.45549%0.488SS..EExtended strand (participates in β ladder)trans-111.2141.3171.8-73.9168.5000109.6A83 A95 V96 L97A83-L103 HydrophobicContact CB-CD1 4.39Å; A83-L103 HydrophobicContact CB-CD2 3.59Å; A95-L103 HydrophobicContact CB-CB 4.37Å; A95-L103 HydrophobicContact CB-CD2 4.31Å; V96-L103 CarbonylContact O-C 3.54Å; V96-L103 WeakPolarHBondContact O-CA 3.3Å; L97-L103 HydrophobicContact CB-CD2 4.06Å; L97-L103 HydrophobicContact CD1-CD2 3.98Å; L97-L103 HydrophobicContact CD1-CG 4.39Å
104L97.4Very high90.4Very high105 Ų105100.9 Ų100.955%0.5554%0.544SS..EExtended strand (participates in β ladder)trans-104.9137.9171.1-176.863.7000110.1A95 V96 I98A95-L104 CarbonylContact C-O 3.57Å; A95-L104 WeakPolarHBondContact CA-O 3.45Å; A95-L104 WeakPolarHBondContact CB-O 3.48Å; V96-L104 PolarHBondContact N-O 2.88Å; V96-L104 PolarHBondContact O-N 3.38Å; I98-L104 HydrophobicContact CD1-CB 4.26Å; I98-L104 HydrophobicContact CG2-CB 3.85Å; I98-L104 HydrophobicContact CG2-CD2 4.43Å
105S97.7Very high90.1Very high36 Ų36104.2 Ų104.225%0.25255%0.553SS.*  trans-151.2177.9173.5-169.90000110.2L85 G94L85-S105 WeakPolarHBondContact CD1-OG 3.22Å; G94-S105 PolarHBondContact O-OG 3.38Å
106A96.3Very high89.7Confident39 Ų39109.5 Ų109.532%0.32258%0.581SS.*  trans-78.3143.3178.500000111.6H108 C109A106-H108 VanDerWaalsContact C-N 3.29Å; A106-H108 VanDerWaalsContact CB-CE1 3.46Å; A106-H108 WeakPolarHBondContact CB-CE1 3.45Å; A106-H108 PolarHBondContact O-N 3.3Å; A106-C109 VanDerWaalsContact O-CB 3.22Å; A106-C109 WeakPolarHBondContact O-CB 3.33Å; A106-C109 PolarHBondContact O-N 3.05Å
107A95.6Very high89.2Confident63 Ų63112.4 Ų112.452%0.52159%0.593SS.*G310 helixtrans-58.7-38.1-179.800000113.3C109 F110 Q111A107-C109 PolarHBondContact O-N 2.95Å; A107-C109 VanDerWaalsContact O-N 3.15Å; A107-F110 PolarHBondContact O-N 3Å; A107-Q111 PolarHBondContact O-N 3.29Å; A107-Q111 VanDerWaalsContact O-N 3.16Å
108H94.1Very high88.7Confident139 Ų139114 Ų11464%0.64460%0.602SS**G310 helixtrans-65.4-15.4178.370.9-105.9000113.4A106 F110A106-H108 VanDerWaalsContact C-N 3.29Å; A106-H108 VanDerWaalsContact CB-CE1 3.46Å; A106-H108 WeakPolarHBondContact CB-CE1 3.45Å; A106-H108 PolarHBondContact O-N 3.3Å; H108-F110 PolarHBondContact O-N 2.95Å
109C94.8Very high88.3Confident21 Ų21114.9 Ų114.914%0.14261%0.608CS.*G310 helixtrans-68.5-18172.2-66.30000112.5L85 C93 A106 A107L85-C109 HydrophobicContact CD1-CB 4.32Å; C93-C109 HydrophobicContact CB-CB 3.66Å; C93-C109 WeakPolarHBondContact CB-SG 3.33Å; C93-C109 WeakPolarHBondContact SG-CB 3.35Å; C93-C109 CovalentContact SG-SG 2.04Å; C93-C109 PolarHBondContact SG-SG 3.47Å; A106-C109 VanDerWaalsContact O-CB 3.22Å; A106-C109 WeakPolarHBondContact O-CB 3.33Å; A106-C109 PolarHBondContact O-N 3.05Å; A107-C109 PolarHBondContact O-N 2.95Å; A107-C109 VanDerWaalsContact O-N 3.15Å
110F90.4Very high87.9Confident139 Ų139116.3 Ų116.361%0.6162%0.615SS**THydrogen-bonded Turntrans-113.2-22.9-178.8-54.1-76.3000113L85 A107 H108L85-F110 HydrophobicContact CD1-CE1 4.08Å; L85-F110 HydrophobicContact CD1-CE2 4.47Å; L85-F110 HydrophobicContact CD1-CZ 3.69Å; A107-F110 PolarHBondContact O-N 3Å; H108-F110 PolarHBondContact O-N 2.95Å
111Q87Confident87.6Confident139 Ų139111 Ų11165%0.6560%0.6SS**  trans-87.4113.5175.4-61.8175.62100109A107 S113A107-Q111 PolarHBondContact O-N 3.29Å; A107-Q111 VanDerWaalsContact O-N 3.16Å; Q111-S113 PolarHBondContact O-N 3.46Å
112R66.6Low87Confident191 Ų191110.5 Ų110.572%0.72159%0.59SS**  trans-74.6121162.1-72.4-175.9169.5138.15.8107S114R112-S114 PolarHBondContact O-N 3.47Å
113S61.6Low86.2Confident123 Ų123105.9 Ų105.986%0.8659%0.587SS**  trans-56.7110.8164.853.40000108.1Q111Q111-S113 PolarHBondContact O-N 3.46Å
114S54.7Low85.1Confident189 Ų189107.6 Ų107.6100%1.32260%0.599SS**  trans-70.90166.155.90000110.4R112R112-S114 PolarHBondContact O-N 3.47Å

Retrieved 114 of 114 residues in 23.3 ms (Link to these results)