A0A087XU04_POEFO Loading...

Gem (nuclear organelle) associated protein 7

AlphaFold DB , UniProt , Accession A0A087XU04, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 128 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
1M48.5Very low53.9Low241 Ų241143.8 Ų143.8100%1.18781%0.813SS**  0119.70-60.5-176.384.100107.1
2A55Low53.8Low104 Ų104148.8 Ų148.886%0.8682%0.819SS**  trans-81.9118.6-177.500000109.7P4A2-P4 WeakPolarHBondContact O-CD 3.32Å
3T54.6Low53.9Low131 Ų131138.3 Ų138.380%0.80477%0.767SS**  trans-76.5115.1173.714.60000109V5T3-V5 PolarHBondContact O-N 3.02Å
4P63.8Low53.7Low121 Ų121138.1 Ų138.179%0.78677%0.774SS**  trans-71.4123.7179.127.5-31.5000109.9A2A2-P4 WeakPolarHBondContact O-CD 3.32Å
5V54.3Low53.9Low121 Ų121135.7 Ų135.773%0.73376%0.759SS**  trans-84121.7172.5-178.50000108.1T3 V7T3-V5 PolarHBondContact O-N 3.02Å; V5-V7 PolarHBondContact O-N 2.82Å
6P44.7Very low53.7Low127 Ų127135.2 Ų135.283%0.82576%0.764SS**  trans-69.6115.5178.626.8-31.7000109.9
7V61.9Low53.7Low111 Ų111135.3 Ų135.367%0.67376%0.762SS**  trans-99109.1174.2-176.80000108.7V5 R9V5-V7 PolarHBondContact O-N 2.82Å; V7-R9 HydrophobicContact CG1-CG 4.2Å; V7-R9 PolarHBondContact O-N 3.29Å
8L52.7Low53.7Low160 Ų160130.8 Ų130.884%0.83874%0.74SS**  trans-75.1104.1170.3-166.281.3000108.9L10L8-L10 PolarHBondContact O-N 3.13Å
9R55.1Low53.6Low227 Ų227131.9 Ų131.986%0.85773%0.732SS**  trans-83111.3176.1-68.4-172.5178.4172.9-0.5109.6V7V7-R9 HydrophobicContact CG1-CG 4.2Å; V7-R9 PolarHBondContact O-N 3.29Å
10L52.8Low53.7Low131 Ų131127.1 Ų127.169%0.68671%0.713SS**PPolyproline II helixtrans-59.2149.7172.1-66.9175.1000110.8L8 K12L8-L10 PolarHBondContact O-N 3.13Å; L10-K12 PolarHBondContact O-N 3.19Å
11P49.8Very low53.6Low108 Ų108130.3 Ų130.370%0.70172%0.72SS**PPolyproline II helixtrans-55.5135.4-179.620.5-31.4000110.9G13 R19P11-G13 PolarHBondContact O-N 2.84Å; P11-R19 PolarHBondContact O-NH1 3.06Å
12K52.3Low54.3Low203 Ų203122 Ų12288%0.88368%0.68SS**PPolyproline II helixtrans-60.3131.3175.7-67.8-178.3177.3-179.70108.4L10L10-K12 PolarHBondContact O-N 3.19Å
13G54.9Low54.6Low13 Ų13120.6 Ų120.613%0.13466%0.663CS.*PPolyproline II helixtrans-63.1159.9172.900000110.5P11 D15P11-G13 PolarHBondContact O-N 2.84Å; G13-D15 PolarHBondContact O-N 2.88Å
14P51.8Low55.1Low135 Ų135120.4 Ų120.488%0.87766%0.657SS**SBendtrans-72.931.2-169.829.7-35.5000115.4
15D55.9Low55.3Low102 Ų102115.5 Ų115.555%0.54563%0.625SS.*  trans-142.4132.8-177.9-109.1-37.6000111.4G13 N17 S18G13-D15 PolarHBondContact O-N 2.88Å; D15-N17 PolarHBondContact O-N 3.36Å; D15-S18 PolarHBondContact O-N 3.21Å
16P51.2Low55.6Low128 Ų128115 Ų11583%0.83163%0.625SS**THydrogen-bonded Turntrans-63-18.617226-32.3000112.6
17N53.2Low56.3Low137 Ų137117 Ų11773%0.73362%0.616SS**THydrogen-bonded Turntrans-98.80.9176.2-72-10.8000113.8D15D15-N17 PolarHBondContact O-N 3.36Å
18S54Low56.3Low54 Ų54115.5 Ų115.538%0.37860%0.6SS.*SBendtrans-99.8110.5-174175.50000110.2D15D15-S18 PolarHBondContact O-N 3.21Å
19R52.8Low56.7Low153 Ų153112.5 Ų112.558%0.57758%0.584SS**SBendtrans105.741.8169.2-55.2171.6175.8-174.12.9117.3P11 F21P11-R19 PolarHBondContact O-NH1 3.06Å; R19-F21 WeakPolarHBondContact O-CD2 3.46Å; R19-F21 PolarHBondContact O-N 2.97Å
20G54.5Low56.8Low35 Ų35105 Ų10536%0.36157%0.57SS.*SBend74.427.312800000118.7
21F52.1Low57Low194 Ų194104 Ų10485%0.85157%0.565SS**  trans-122.96.3168.6-65.5-78.7000113.5R19 P23R19-F21 WeakPolarHBondContact O-CD2 3.46Å; R19-F21 PolarHBondContact O-N 2.97Å; F21-P23 VanDerWaalsContact O-CD 3.31Å; F21-P23 WeakPolarHBondContact O-CD 3.46Å
22D63.3Low57Low67 Ų67102.2 Ų102.236%0.35855%0.554SS.*  trans-75.5116.1171.5172.116.5000109.2N24 S25 F28D22-N24 PolarHBondContact O-N 2.88Å; D22-N24 VanDerWaalsContact O-N 3.15Å; D22-N24 WeakPolarHBondContact OD1-CB 3.26Å; D22-N24 PolarHBondContact OD1-N 3.26Å; D22-S25 WeakPolarHBondContact O-CB 3.21Å; D22-S25 PolarHBondContact O-N 3.46Å; D22-S25 PolarHBondContact O-OG 3.4Å; D22-S25 PolarHBondContact OD2-N 2.76Å; D22-F28 WeakPolarHBondContact O-CB 3.46Å
23P60.9Low56.8Low75 Ų75102.7 Ų102.749%0.48755%0.551SS.*THydrogen-bonded Turntrans-63.1-17.2179.727-34.7000113.4F21 F28F21-P23 VanDerWaalsContact O-CD 3.31Å; F21-P23 WeakPolarHBondContact O-CD 3.46Å; P23-F28 VanDerWaalsContact CA-CD1 3.42Å; P23-F28 HydrophobicContact CB-CD1 4.26Å; P23-F28 HydrophobicContact CB-CE1 3.9Å; P23-F28 HydrophobicContact CB-CZ 4.14Å; P23-F28 WeakPolarHBondContact O-CD1 3.39Å
24N65.6Low56.5Low127 Ų127105.3 Ų105.368%0.67956%0.564SS**THydrogen-bonded Turntrans-97.6-1.7177.2-60.9-45000113.3D22 I29D22-N24 PolarHBondContact O-N 2.88Å; D22-N24 VanDerWaalsContact O-N 3.15Å; D22-N24 WeakPolarHBondContact OD1-CB 3.26Å; D22-N24 PolarHBondContact OD1-N 3.26Å; N24-I29 WeakPolarHBondContact O-CD1 3.45Å
25S68.6Low56.1Low17 Ų17104.9 Ų104.912%0.11956%0.564CS.*SBendtrans-70.5144.8-177.866.70000111.7D22 R27 F28 I29D22-S25 WeakPolarHBondContact O-CB 3.21Å; D22-S25 PolarHBondContact O-N 3.46Å; D22-S25 PolarHBondContact O-OG 3.4Å; D22-S25 PolarHBondContact OD2-N 2.76Å; S25-R27 PolarHBondContact O-N 3.28Å; S25-R27 VanDerWaalsContact O-N 3.09Å; S25-F28 PolarHBondContact O-N 2.9Å; S25-F28 WeakPolarHBondContact OG-CB 3.43Å; S25-F28 PolarHBondContact OG-N 2.8Å; S25-F28 VanDerWaalsContact OG-N 3.13Å; S25-I29 WeakPolarHBondContact O-CG1 3.44Å; S25-I29 PolarHBondContact O-N 3.36Å
26P59.9Low55.7Low112 Ų112106 Ų10673%0.72757%0.569SS**Hα-helixtrans-54-33.7175.4-27.434.3000113.1A30P26-A30 WeakPolarHBondContact O-CB 3.49Å; P26-A30 PolarHBondContact O-N 2.84Å
27R60Low55.3Low169 Ų169105.3 Ų105.364%0.63856%0.564SS**Hα-helixtrans-69.2-46.2176.4-177.3-178.4170.792.63.7112.2S25 I29 A30 L31S25-R27 PolarHBondContact O-N 3.28Å; S25-R27 VanDerWaalsContact O-N 3.09Å; R27-I29 VanDerWaalsContact C-N 3.33Å; R27-A30 PolarHBondContact O-N 3.2Å; R27-L31 HydrophobicContact CG-CD1 3.79Å; R27-L31 HydrophobicContact CG-CG 4.35Å; R27-L31 WeakPolarHBondContact O-CB 3.43Å; R27-L31 VanDerWaalsContact O-CG 3.31Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 3.4Å
28F60.9Low55.1Low79 Ų79101.1 Ų101.135%0.34654%0.544SS..Hα-helixtrans-61.2-45.6176.3-177.5-88.5000110.3D22 P23 S25 A30 L31 C32D22-F28 WeakPolarHBondContact O-CB 3.46Å; P23-F28 VanDerWaalsContact CA-CD1 3.42Å; P23-F28 HydrophobicContact CB-CD1 4.26Å; P23-F28 HydrophobicContact CB-CE1 3.9Å; P23-F28 HydrophobicContact CB-CZ 4.14Å; P23-F28 WeakPolarHBondContact O-CD1 3.39Å; S25-F28 PolarHBondContact O-N 2.9Å; S25-F28 WeakPolarHBondContact OG-CB 3.43Å; S25-F28 PolarHBondContact OG-N 2.8Å; S25-F28 VanDerWaalsContact OG-N 3.13Å; F28-A30 VanDerWaalsContact C-N 3.34Å; F28-A30 PolarHBondContact O-N 3.24Å; F28-L31 PolarHBondContact O-N 2.97Å; F28-C32 HydrophobicContact CD1-CB 4.46Å; F28-C32 HydrophobicContact CE1-CB 4.39Å; F28-C32 VanDerWaalsContact CE1-SG 3.54Å; F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.41Å; F28-C32 PolarHBondContact O-N 2.94Å; F28-C32 PolarHBondContact O-SG 2.89Å
29I61.5Low54.7Low96 Ų96102.6 Ų102.649%0.49255%0.554SS.*Hα-helixtrans-60.8-41.9177-63.9165.9000111.6N24 S25 R27 R33N24-I29 WeakPolarHBondContact O-CD1 3.45Å; S25-I29 WeakPolarHBondContact O-CG1 3.44Å; S25-I29 PolarHBondContact O-N 3.36Å; R27-I29 VanDerWaalsContact C-N 3.33Å; I29-R33 PolarHBondContact O-N 2.9Å
30A57.2Low54.6Low69 Ų6999.7 Ų99.757%0.5756%0.563SS**Hα-helixtrans-69.1-38.3178.600000113.2P26 R27 F28P26-A30 WeakPolarHBondContact O-CB 3.49Å; P26-A30 PolarHBondContact O-N 2.84Å; R27-A30 PolarHBondContact O-N 3.2Å; F28-A30 VanDerWaalsContact C-N 3.34Å; F28-A30 PolarHBondContact O-N 3.24Å
31L56.9Low54.6Low112 Ų112102.5 Ų102.559%0.58658%0.583SS**Hα-helixtrans-79.6-29.4178.6-68.7173000112.9R27 F28 R33R27-L31 HydrophobicContact CG-CD1 3.79Å; R27-L31 HydrophobicContact CG-CG 4.35Å; R27-L31 WeakPolarHBondContact O-CB 3.43Å; R27-L31 VanDerWaalsContact O-CG 3.31Å; R27-L31 WeakPolarHBondContact O-CG 3.5Å; R27-L31 PolarHBondContact O-N 3.4Å; F28-L31 PolarHBondContact O-N 2.97Å; L31-R33 VanDerWaalsContact C-N 3.35Å
32C48.7Very low54.4Low69 Ų6997.8 Ų97.847%0.46658%0.579SS.*Hα-helixtrans-82-10.3178.7-70.60000113.6F28 T34F28-C32 HydrophobicContact CD1-CB 4.46Å; F28-C32 HydrophobicContact CE1-CB 4.39Å; F28-C32 VanDerWaalsContact CE1-SG 3.54Å; F28-C32 VanDerWaalsContact CZ-SG 3.55Å; F28-C32 WeakPolarHBondContact O-CB 3.41Å; F28-C32 PolarHBondContact O-N 2.94Å; F28-C32 PolarHBondContact O-SG 2.89Å; C32-T34 PolarHBondContact O-N 3.43Å
33R48.3Very low54Low214 Ų214103.8 Ų103.881%0.80861%0.605SS**SBendtrans-70.684.3159-92.1-171.9-175-178.32.3108I29 L31 S35I29-R33 PolarHBondContact O-N 2.9Å; L31-R33 VanDerWaalsContact C-N 3.35Å; R33-S35 PolarHBondContact O-N 3.36Å
34T48.5Very low54Low67 Ų67102.8 Ų102.841%0.41160%0.6SS.*  trans-49.6130.7159.950.60000107.7C32 I36C32-T34 PolarHBondContact O-N 3.43Å; T34-I36 CarbonylContact O-C 3.51Å; T34-I36 PolarHBondContact O-N 2.8Å; T34-I36 PolarHBondContact OG1-O 2.79Å
35S44.6Very low54.5Low126 Ų12699.8 Ų99.888%0.88158%0.584SS**SBendtrans-59.6-10.3172.847.80000112.9R33R33-S35 PolarHBondContact O-N 3.36Å
36I47.7Very low55Low125 Ų125103.8 Ų103.864%0.64161%0.61SS**SBendtrans-84.8117.2167.1-53175.4000107.1T34 T38T34-I36 CarbonylContact O-C 3.51Å; T34-I36 PolarHBondContact O-N 2.8Å; T34-I36 PolarHBondContact OG1-O 2.79Å; I36-T38 PolarHBondContact O-N 2.92Å
37P43.3Very low55.9Low114 Ų114104.9 Ų104.974%0.7461%0.605SS**  trans-58.4109.3171.824-31.1000108S39P37-S39 PolarHBondContact O-N 2.84Å; P37-S39 VanDerWaalsContact O-N 3.14Å
38T47.3Very low56.9Low49 Ų49101.7 Ų101.730%0.30160%0.598SS.*  trans-54.7119.7154.1-52.60000104.8I36 A40 R56I36-T38 PolarHBondContact O-N 2.92Å; T38-A40 PolarHBondContact O-N 2.85Å; T38-R56 PolarHBondContact OG1-NH2 3.33Å
39S46.9Very low57.7Low85 Ų85101 Ų10159%0.59460%0.597SS**SBendtrans-3411117527.50000110.1P37 A41P37-S39 PolarHBondContact O-N 2.84Å; P37-S39 VanDerWaalsContact O-N 3.14Å; S39-A41 PolarHBondContact O-N 3.29Å
40A50.6Low58.7Low93 Ų93103.1 Ų103.177%0.76961%0.605SS**  trans27.188.8171.300000115.7T38 A42T38-A40 PolarHBondContact O-N 2.85Å; A40-A42 PolarHBondContact O-N 2.87Å
41A53.6Low60Low94 Ų94106.3 Ų106.378%0.77761%0.608SS**THydrogen-bonded Turntrans-64.498.4166.300000110.3S39S39-A41 PolarHBondContact O-N 3.29Å
42A47.4Very low61.2Low94 Ų94103.7 Ų103.778%0.77759%0.593SS**THydrogen-bonded Turntrans-151.3-32153.100000112.9A40A40-A42 PolarHBondContact O-N 2.87Å
43E55.8Low62.9Low193 Ų193105.3 Ų105.390%0.90259%0.594SS**  trans-149.646-175.6-62.4-163.6177.800114.1
44S60.1Low64.7Low54 Ų54101.2 Ų101.238%0.37858%0.583SS.*  trans-80.9130.4173.851.30000111.5
45D77Confident66.6Low65 Ų65100.5 Ų100.535%0.34858%0.584SS.*  trans-52.6130174.9171.95.9000110.5Q47 Q48 L49D45-Q47 PolarHBondContact O-N 3.33Å; D45-Q47 VanDerWaalsContact O-N 3.11Å; D45-Q47 PolarHBondContact OD1-N 2.73Å; D45-Q48 HydrophobicContact CB-CB 4.29Å; D45-Q48 HydrophobicContact CB-CG 3.96Å; D45-Q48 WeakPolarHBondContact O-CB 3.2Å; D45-Q48 PolarHBondContact O-N 3.05Å; D45-L49 PolarHBondContact O-N 2.79Å
46P78Confident68.8Low101 Ų10198.8 Ų98.866%0.65656%0.559SS**Hα-helixtrans-54.2-30.4179.621.8-35.3000113.7Q50P46-Q50 PolarHBondContact O-N 3.01Å; P46-Q50 VanDerWaalsContact O-N 3.11Å
47Q80.5Confident70.9Confident135 Ų13596.4 Ų96.463%0.63155%0.553SS**Hα-helixtrans-68.1-44.7176.2-65.2-171-24.300111.4D45 L49 Q50 E51D45-Q47 PolarHBondContact O-N 3.33Å; D45-Q47 VanDerWaalsContact O-N 3.11Å; D45-Q47 PolarHBondContact OD1-N 2.73Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 2.82Å; Q47-Q50 WeakPolarHBondContact O-CB 3.22Å; Q47-Q50 PolarHBondContact O-N 2.83Å; Q47-E51 WeakPolarHBondContact O-CG 3.42Å; Q47-E51 PolarHBondContact O-N 3.17Å
48Q79.8Confident73.3Confident102 Ų10293.2 Ų93.248%0.47753%0.531SS..Hα-helixtrans-62.3-41176.2-65177.41.800111.4D45 Q50 E51 E52D45-Q48 HydrophobicContact CB-CB 4.29Å; D45-Q48 HydrophobicContact CB-CG 3.96Å; D45-Q48 WeakPolarHBondContact O-CB 3.2Å; D45-Q48 PolarHBondContact O-N 3.05Å; Q48-Q50 VanDerWaalsContact C-N 3.31Å; Q48-Q50 PolarHBondContact O-N 3.04Å; Q48-E51 PolarHBondContact O-N 3.34Å; Q48-E52 WeakPolarHBondContact O-CG 3.42Å; Q48-E52 PolarHBondContact O-N 2.79Å
49L78.9Confident75.6Confident65 Ų6596.5 Ų96.534%0.3455%0.546SS..Hα-helixtrans-59.6-42.6175.217963.9000111.8D45 Q47 E52 Q53D45-L49 PolarHBondContact O-N 2.79Å; Q47-L49 VanDerWaalsContact C-N 3.33Å; Q47-L49 PolarHBondContact O-N 2.82Å; L49-E52 PolarHBondContact O-N 3.09Å; L49-Q53 HydrophobicContact CD1-CG 4.37Å; L49-Q53 WeakPolarHBondContact O-CB 3.49Å; L49-Q53 VanDerWaalsContact O-CG 3.28Å; L49-Q53 WeakPolarHBondContact O-CG 3.46Å; L49-Q53 PolarHBondContact O-N 3.4Å
50Q81.3Confident77.9Confident140 Ų14096.5 Ų96.565%0.65453%0.533SS*.Hα-helixtrans-64.3-43.4178.3-175174.39.800111.6P46 Q47 Q48 Q53 H54P46-Q50 PolarHBondContact O-N 3.01Å; P46-Q50 VanDerWaalsContact O-N 3.11Å; Q47-Q50 WeakPolarHBondContact O-CB 3.22Å; Q47-Q50 PolarHBondContact O-N 2.83Å; Q48-Q50 VanDerWaalsContact C-N 3.31Å; Q48-Q50 PolarHBondContact O-N 3.04Å; Q50-Q53 PolarHBondContact O-N 3.3Å; Q50-H54 PolarHBondContact O-N 2.95Å
51E84.7Confident80Confident136 Ų13696.5 Ų96.564%0.63652%0.517SS*.Hα-helixtrans-62.7-45.3176.3-71178.6179.900111.8Q47 Q48 Q53 H54 A55Q47-E51 WeakPolarHBondContact O-CG 3.42Å; Q47-E51 PolarHBondContact O-N 3.17Å; Q48-E51 PolarHBondContact O-N 3.34Å; E51-Q53 PolarHBondContact O-N 3.22Å; E51-H54 PolarHBondContact O-N 3.03Å; E51-A55 WeakPolarHBondContact O-CB 3.37Å; E51-A55 PolarHBondContact O-N 3.13Å
52E83.1Confident82.1Confident57 Ų57100.3 Ų100.327%0.26651%0.512SS..Hα-helixtrans-61.2-43.6175.8-73.1-174.6-17700112.1Q48 L49 H54 A55 R56Q48-E52 WeakPolarHBondContact O-CG 3.42Å; Q48-E52 PolarHBondContact O-N 2.79Å; L49-E52 PolarHBondContact O-N 3.09Å; E52-H54 VanDerWaalsContact C-N 3.32Å; E52-H54 PolarHBondContact O-N 2.91Å; E52-A55 PolarHBondContact O-N 2.93Å; E52-R56 WeakPolarHBondContact O-CB 3.42Å; E52-R56 VanDerWaalsContact O-CG 3.28Å; E52-R56 WeakPolarHBondContact O-CG 3.23Å; E52-R56 PolarHBondContact O-N 3.34Å; E52-R56 IonicContact OE2-CZ 2.77Å; E52-R56 VanDerWaalsContact OE2-CZ 3.29Å; E52-R56 IonicContact OE2-NH1 3.29Å; E52-R56 PolarHBondContact OE2-NH1 3.2Å; E52-R56 IonicContact OE2-NH2 2.75Å; E52-R56 PolarHBondContact OE2-NH2 3.31Å
53Q83.8Confident84.3Confident103 Ų10399.6 Ų99.648%0.48149%0.491SS..Hα-helixtrans-63.6-39.5177.5-75.8-180300111.7L49 Q50 E51 S57L49-Q53 HydrophobicContact CD1-CG 4.37Å; L49-Q53 WeakPolarHBondContact O-CB 3.49Å; L49-Q53 VanDerWaalsContact O-CG 3.28Å; L49-Q53 WeakPolarHBondContact O-CG 3.46Å; L49-Q53 PolarHBondContact O-N 3.4Å; Q50-Q53 PolarHBondContact O-N 3.3Å; E51-Q53 PolarHBondContact O-N 3.22Å; Q53-S57 WeakPolarHBondContact O-CB 3.43Å; Q53-S57 PolarHBondContact O-N 3.39Å; Q53-S57 PolarHBondContact O-OG 3.22Å
54H86.1Confident86.2Confident128 Ų12894.2 Ų94.259%0.59347%0.468SS*.Hα-helixtrans-62.9-48.4173.7-177.427.9000111.1Q50 E51 E52 R56 S57 V58Q50-H54 PolarHBondContact O-N 2.95Å; E51-H54 PolarHBondContact O-N 3.03Å; E52-H54 VanDerWaalsContact C-N 3.32Å; E52-H54 PolarHBondContact O-N 2.91Å; H54-R56 PolarHBondContact O-N 3.27Å; H54-S57 WeakPolarHBondContact O-CB 3.47Å; H54-S57 PolarHBondContact O-N 3.1Å; H54-S57 VanDerWaalsContact O-N 3.11Å; H54-V58 WeakPolarHBondContact O-CG2 3.44Å; H54-V58 PolarHBondContact O-N 2.81Å
55A88.7Confident87.8Confident52 Ų5299.5 Ų99.543%0.4348%0.48SS..Hα-helixtrans-59.2-45.3177.800000112.1E51 E52 S57 V58 L59E51-A55 WeakPolarHBondContact O-CB 3.37Å; E51-A55 PolarHBondContact O-N 3.13Å; E52-A55 PolarHBondContact O-N 2.93Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 2.75Å; A55-V58 PolarHBondContact O-N 3.31Å; A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.87Å
56R89.6Confident88.7Confident90 Ų9098.9 Ų98.934%0.3448%0.48SS..Hα-helixtrans-57.7-42174.2-74.9178-173.41117.1111.5T38 E52 H54 L59 R60T38-R56 PolarHBondContact OG1-NH2 3.33Å; E52-R56 WeakPolarHBondContact O-CB 3.42Å; E52-R56 VanDerWaalsContact O-CG 3.28Å; E52-R56 WeakPolarHBondContact O-CG 3.23Å; E52-R56 PolarHBondContact O-N 3.34Å; E52-R56 IonicContact OE2-CZ 2.77Å; E52-R56 VanDerWaalsContact OE2-CZ 3.29Å; E52-R56 IonicContact OE2-NH1 3.29Å; E52-R56 PolarHBondContact OE2-NH1 3.2Å; E52-R56 IonicContact OE2-NH2 2.75Å; E52-R56 PolarHBondContact OE2-NH2 3.31Å; H54-R56 PolarHBondContact O-N 3.27Å; R56-L59 PolarHBondContact O-N 2.92Å; R56-R60 WeakPolarHBondContact O-CB 3.4Å; R56-R60 PolarHBondContact O-N 3.01Å
57S91.6Very high89.4Confident75 Ų7595 Ų9552%0.52445%0.454SS..Hα-helixtrans-64.4-43.7179-58.50000111.8Q53 H54 A55 R60 E61Q53-S57 WeakPolarHBondContact O-CB 3.43Å; Q53-S57 PolarHBondContact O-N 3.39Å; Q53-S57 PolarHBondContact O-OG 3.22Å; H54-S57 WeakPolarHBondContact O-CB 3.47Å; H54-S57 PolarHBondContact O-N 3.1Å; H54-S57 VanDerWaalsContact O-N 3.11Å; A55-S57 VanDerWaalsContact C-N 3.29Å; A55-S57 PolarHBondContact O-N 2.75Å; S57-R60 PolarHBondContact O-N 2.99Å; S57-E61 WeakPolarHBondContact O-CB 3.37Å; S57-E61 PolarHBondContact O-N 3.45Å
58V95.4Very high90.1Very high47 Ų4795.2 Ų95.229%0.28546%0.458SS..Hα-helixtrans-65-44.6177.2174.10000111.4H54 A55 R60 E61 R62H54-V58 WeakPolarHBondContact O-CG2 3.44Å; H54-V58 PolarHBondContact O-N 2.81Å; A55-V58 PolarHBondContact O-N 3.31Å; V58-R60 VanDerWaalsContact C-N 3.33Å; V58-E61 PolarHBondContact O-N 2.86Å; V58-R62 WeakPolarHBondContact O-CG 3.18Å; V58-R62 PolarHBondContact O-N 2.95Å; V58-R62 VanDerWaalsContact O-N 3.08Å
59L95.4Very high90.8Very high117 Ų11792.1 Ų92.161%0.61345%0.45SS*.Hα-helixtrans-62-43.6176.3-71.4173.3000111.3A55 R56 R62 F63A55-L59 WeakPolarHBondContact O-CG 3.44Å; A55-L59 PolarHBondContact O-N 2.87Å; R56-L59 PolarHBondContact O-N 2.92Å; L59-R62 PolarHBondContact O-N 2.92Å; L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 PolarHBondContact O-N 2.99Å
60R93.9Very high91.6Very high86 Ų8689 Ų8933%0.32543%0.434SS..Hα-helixtrans-64.3-42.5178.1-176.657.5176.2-176.9-0.8111.9R56 S57 V58 F63 L64 I94R56-R60 WeakPolarHBondContact O-CB 3.4Å; R56-R60 PolarHBondContact O-N 3.01Å; S57-R60 PolarHBondContact O-N 2.99Å; V58-R60 VanDerWaalsContact C-N 3.33Å; R60-F63 PolarHBondContact O-N 2.75Å; R60-L64 HydrophobicContact CG-CD1 4.12Å; R60-L64 HydrophobicContact CG-CG 4.41Å; R60-L64 WeakPolarHBondContact O-CB 3.09Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 2.9Å; R60-I94 PolarHBondContact NH2-O 3.39Å
61E95.8Very high92.3Very high93 Ų9385.4 Ų85.444%0.43542%0.424SS..Hα-helixtrans-58.2-49.2175.4-174.5-167.5157.400111.3S57 V58 F63 L64 R65S57-E61 WeakPolarHBondContact O-CB 3.37Å; S57-E61 PolarHBondContact O-N 3.45Å; V58-E61 PolarHBondContact O-N 2.86Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 2.89Å; E61-L64 PolarHBondContact O-N 3.48Å; E61-R65 WeakPolarHBondContact O-CG 3.15Å; E61-R65 PolarHBondContact O-N 3.18Å; E61-R65 IonicContact OE1-CZ 3.18Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.14Å; E61-R65 IonicContact OE1-NH2 2.7Å; E61-R65 PolarHBondContact OE1-NH2 2.83Å
62R96.7Very high92.9Very high174 Ų17485.2 Ų85.266%0.65743%0.428SS*.Hα-helixtrans-60.1-42.9178.3-71.7177.2178.4-167.9-0.1111.9V58 L59 R65 C66V58-R62 WeakPolarHBondContact O-CG 3.18Å; V58-R62 PolarHBondContact O-N 2.95Å; V58-R62 VanDerWaalsContact O-N 3.08Å; L59-R62 PolarHBondContact O-N 2.92Å; R62-R65 PolarHBondContact O-N 3.03Å; R62-C66 PolarHBondContact O-N 3.48Å
63F94.3Very high93.6Very high79 Ų7985.1 Ų85.135%0.34643%0.426SS..Hα-helixtrans-61.8-46.2176.2177.3-100.1000112.3L59 R60 E61 R65 C66 L67 V96L59-F63 WeakPolarHBondContact O-CB 3.31Å; L59-F63 PolarHBondContact O-N 2.99Å; R60-F63 PolarHBondContact O-N 2.75Å; E61-F63 VanDerWaalsContact C-N 3.31Å; E61-F63 PolarHBondContact O-N 2.89Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 2.83Å; F63-C66 VanDerWaalsContact O-CB 3.26Å; F63-C66 WeakPolarHBondContact O-CB 3.34Å; F63-C66 PolarHBondContact O-N 3.44Å; F63-C66 VanDerWaalsContact O-N 3.13Å; F63-L67 HydrophobicContact CD1-CD1 4.25Å; F63-L67 HydrophobicContact CE1-CD1 3.65Å; F63-L67 HydrophobicContact CE1-CG 4.14Å; F63-L67 HydrophobicContact CZ-CD1 4.1Å; F63-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.27Å; F63-L67 PolarHBondContact O-N 3.28Å; F63-V96 HydrophobicContact CE1-CG2 3.53Å; F63-V96 HydrophobicContact CZ-CB 4.32Å; F63-V96 HydrophobicContact CZ-CG1 4.28Å; F63-V96 HydrophobicContact CZ-CG2 3.63Å
64L94.4Very high94.2Very high79 Ų7986.4 Ų86.441%0.41443%0.43SS..Hα-helixtrans-64.7-38.2177.4-69.6175.3000112.3R60 E61 C66 L67 L68R60-L64 HydrophobicContact CG-CD1 4.12Å; R60-L64 HydrophobicContact CG-CG 4.41Å; R60-L64 WeakPolarHBondContact O-CB 3.09Å; R60-L64 VanDerWaalsContact O-CG 3.29Å; R60-L64 WeakPolarHBondContact O-CG 3.32Å; R60-L64 PolarHBondContact O-N 2.9Å; E61-L64 PolarHBondContact O-N 3.48Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 2.89Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-L67 PolarHBondContact O-N 2.84Å; L64-L68 PolarHBondContact O-N 3.06Å
65R95.6Very high94.8Very high166 Ų16680.3 Ų80.363%0.62640%0.402SS*.Hα-helixtrans-62.5-36172.7-72.7175.5-179-102.35.4111.8E61 R62 F63 L68 A69E61-R65 WeakPolarHBondContact O-CG 3.15Å; E61-R65 PolarHBondContact O-N 3.18Å; E61-R65 IonicContact OE1-CZ 3.18Å; E61-R65 IonicContact OE1-NE 2.82Å; E61-R65 PolarHBondContact OE1-NE 3.14Å; E61-R65 IonicContact OE1-NH2 2.7Å; E61-R65 PolarHBondContact OE1-NH2 2.83Å; R62-R65 PolarHBondContact O-N 3.03Å; F63-R65 VanDerWaalsContact C-N 3.35Å; F63-R65 PolarHBondContact O-N 2.83Å; R65-L68 PolarHBondContact O-N 3.41Å; R65-A69 WeakPolarHBondContact O-CB 3.48Å; R65-A69 PolarHBondContact O-N 2.8Å
66C94.2Very high95.3Very high52 Ų5283.3 Ų83.335%0.35140%0.402SS..Hα-helixtrans-63.6-47.8173.8-175.60000111.6R62 F63 L64 L68 A69 M70R62-C66 PolarHBondContact O-N 3.48Å; F63-C66 VanDerWaalsContact O-CB 3.26Å; F63-C66 WeakPolarHBondContact O-CB 3.34Å; F63-C66 PolarHBondContact O-N 3.44Å; F63-C66 VanDerWaalsContact O-N 3.13Å; L64-C66 VanDerWaalsContact C-N 3.28Å; L64-C66 PolarHBondContact O-N 2.89Å; C66-L68 VanDerWaalsContact C-N 3.27Å; C66-L68 PolarHBondContact O-N 3.15Å; C66-A69 PolarHBondContact O-N 2.66Å; C66-A69 VanDerWaalsContact O-N 3.14Å; C66-M70 PolarHBondContact O-N 3.47Å
67L93.6Very high95.7Very high20 Ų2079 Ų7911%0.10539%0.386CS..Hα-helixtrans-58.4-41.1175.5-65.6-179000111.9F63 L64 M70 S71 V96F63-L67 HydrophobicContact CD1-CD1 4.25Å; F63-L67 HydrophobicContact CE1-CD1 3.65Å; F63-L67 HydrophobicContact CE1-CG 4.14Å; F63-L67 HydrophobicContact CZ-CD1 4.1Å; F63-L67 HydrophobicContact CZ-CD2 4.27Å; F63-L67 HydrophobicContact CZ-CG 4.27Å; F63-L67 PolarHBondContact O-N 3.28Å; L64-L67 HydrophobicContact CD2-CD1 4.31Å; L64-L67 PolarHBondContact O-N 2.84Å; L67-M70 HydrophobicContact CD2-CE 3.85Å; L67-M70 WeakPolarHBondContact O-CB 3.5Å; L67-M70 PolarHBondContact O-N 3.03Å; L67-S71 PolarHBondContact O-N 2.77Å; L67-V96 HydrophobicContact CD1-CG2 4Å
68L94.4Very high96Very high138 Ų13878.6 Ų78.672%0.72338%0.375SS*.Hα-helixtrans-65.5-40.9176.8-172.7139000112L64 R65 C66 M70 S71L64-L68 PolarHBondContact O-N 3.06Å; R65-L68 PolarHBondContact O-N 3.41Å; C66-L68 VanDerWaalsContact C-N 3.27Å; C66-L68 PolarHBondContact O-N 3.15Å; L68-M70 PolarHBondContact O-N 3.42Å; L68-S71 WeakPolarHBondContact O-CB 3.42Å; L68-S71 PolarHBondContact O-N 3.35Å
69A95.6Very high96Very high38 Ų3878.1 Ų78.131%0.31437%0.371SS..Hα-helixtrans-66.9-22.5176.200000113.4R65 C66 K73R65-A69 WeakPolarHBondContact O-CB 3.48Å; R65-A69 PolarHBondContact O-N 2.8Å; C66-A69 PolarHBondContact O-N 2.66Å; C66-A69 VanDerWaalsContact O-N 3.14Å; A69-K73 WeakPolarHBondContact O-CD 3.46Å; A69-K73 WeakPolarHBondContact O-CE 3.48Å; A69-K73 PolarHBondContact O-NZ 2.96Å
70M95.8Very high96Very high0 Ų077.7 Ų77.70%037%0.365CS..Hα-helixtrans-81.6-17.9176.2-170.4171.858.800112.8C66 L67 L68 N72 K73 V75 F89 F124 F126C66-M70 PolarHBondContact O-N 3.47Å; L67-M70 HydrophobicContact CD2-CE 3.85Å; L67-M70 WeakPolarHBondContact O-CB 3.5Å; L67-M70 PolarHBondContact O-N 3.03Å; L68-M70 PolarHBondContact O-N 3.42Å; M70-N72 PolarHBondContact O-N 3.2Å; M70-K73 VanDerWaalsContact O-CB 3.31Å; M70-K73 WeakPolarHBondContact O-CB 3.42Å; M70-K73 PolarHBondContact O-N 3.27Å; M70-K73 VanDerWaalsContact O-N 3.09Å; M70-V75 HydrophobicContact CG-CG2 3.46Å; M70-V75 VanDerWaalsContact CG-CG2 3.46Å; M70-V75 HydrophobicContact SD-CG1 4.09Å; M70-V75 HydrophobicContact SD-CG2 3.69Å; M70-F89 HydrophobicContact CB-CD1 4.02Å; M70-F89 HydrophobicContact CB-CE1 4.34Å; M70-F89 HydrophobicContact CE-CD1 3.77Å; M70-F89 HydrophobicContact CE-CD2 3.59Å; M70-F89 HydrophobicContact CE-CE1 3.68Å; M70-F89 HydrophobicContact CE-CE2 3.52Å; M70-F89 HydrophobicContact CE-CG 3.72Å; M70-F89 HydrophobicContact CE-CZ 3.54Å; M70-F89 HydrophobicContact CG-CB 4.02Å; M70-F89 HydrophobicContact CG-CD1 3.78Å; M70-F89 HydrophobicContact CG-CE1 4.43Å; M70-F89 HydrophobicContact CG-CG 3.88Å; M70-F89 WeakPolarHBondContact O-CD1 3.4Å; M70-F89 HydrophobicContact SD-CD1 4.49Å; M70-F89 HydrophobicContact SD-CD2 4.45Å; M70-F89 HydrophobicContact SD-CG 4.25Å; M70-F124 HydrophobicContact CE-CE2 3.93Å; M70-F124 HydrophobicContact CE-CZ 4.28Å; M70-F124 HydrophobicContact SD-CD2 3.65Å; M70-F124 HydrophobicContact SD-CE2 3.4Å; M70-F124 WeakPolarHBondContact SD-CE2 3.35Å; M70-F124 HydrophobicContact SD-CZ 4.31Å; M70-F126 HydrophobicContact CB-CD1 4.35Å; M70-F126 HydrophobicContact CB-CD2 4.23Å; M70-F126 HydrophobicContact CB-CE1 4.18Å; M70-F126 HydrophobicContact CB-CE2 4.04Å; M70-F126 HydrophobicContact CB-CG 4.37Å; M70-F126 HydrophobicContact CB-CZ 4.02Å; M70-F126 HydrophobicContact CG-CB 4.38Å; M70-F126 HydrophobicContact CG-CD1 3.97Å; M70-F126 HydrophobicContact CG-CD2 4.2Å; M70-F126 HydrophobicContact CG-CE1 4.27Å; M70-F126 HydrophobicContact CG-CE2 4.48Å; M70-F126 HydrophobicContact CG-CG 3.93Å; M70-F126 HydrophobicContact SD-CD1 3.84Å; M70-F126 HydrophobicContact SD-CE1 4.17Å; M70-F126 HydrophobicContact SD-CG 4.34Å
71S95.3Very high95.9Very high64 Ų6481.9 Ų81.945%0.44839%0.389SS..THydrogen-bonded Turntrans-52.5130.8-179.3-171.50000112.2L67 L68 K73L67-S71 PolarHBondContact O-N 2.77Å; L68-S71 WeakPolarHBondContact O-CB 3.42Å; L68-S71 PolarHBondContact O-N 3.35Å; S71-K73 PolarHBondContact O-N 2.78Å
72N96.8Very high95.7Very high132 Ų13286.8 Ų86.871%0.70641%0.409SS*.THydrogen-bonded Turntrans5924.7-179.8-16141.9000114.3M70 F89M70-N72 PolarHBondContact O-N 3.2Å; N72-F89 WeakPolarHBondContact CA-O 3.31Å; N72-F89 PolarHBondContact N-O 2.97Å
73K97.9Very high95.6Very high54 Ų5481 Ų8124%0.23539%0.392CS..SBendtrans-105.7156.1173.7-63-169.4171.4177.60111.3A69 M70 S71 V75 T88 F89 F126 D127 V128A69-K73 WeakPolarHBondContact O-CD 3.46Å; A69-K73 WeakPolarHBondContact O-CE 3.48Å; A69-K73 PolarHBondContact O-NZ 2.96Å; M70-K73 VanDerWaalsContact O-CB 3.31Å; M70-K73 WeakPolarHBondContact O-CB 3.42Å; M70-K73 PolarHBondContact O-N 3.27Å; M70-K73 VanDerWaalsContact O-N 3.09Å; S71-K73 PolarHBondContact O-N 2.78Å; K73-V75 PolarHBondContact O-N 3.37Å; K73-T88 WeakPolarHBondContact O-CA 3.33Å; K73-F89 PolarHBondContact O-N 3.37Å; K73-F126 HydrophobicContact CD-CD2 3.9Å; K73-F126 HydrophobicContact CD-CE2 4.39Å; K73-D127 VanDerWaalsContact CD-O 3.28Å; K73-D127 WeakPolarHBondContact CD-O 3.35Å; K73-D127 PolarHBondContact NZ-O 3.35Å; K73-V128 VanDerWaalsContact NZ-C 3.32Å; K73-V128 PolarHBondContact NZ-OXT 3.09Å
74K98.1Very high95.7Very high131 Ų13182.1 Ų82.157%0.5740%0.402SS*.EExtended strand (participates in β ladder)trans-70.3127.2166.9-73.2-174.5159.7-143.40109.8E86 A87K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 WeakPolarHBondContact CE-OE1 3.46Å; K74-E86 IonicContact NZ-OE1 3.86Å; K74-E86 PolarHBondContact NZ-OE1 3.26Å; K74-A87 WeakPolarHBondContact CA-O 3.48Å
75V98.3Very high95.9Very high0 Ų078.7 Ų78.70%038%0.384CS..EExtended strand (participates in β ladder)trans-125.4131.5-179.8-176.20000108.5M70 K73 F77 E86 A87 F89 F124 T125 F126M70-V75 HydrophobicContact CG-CG2 3.46Å; M70-V75 VanDerWaalsContact CG-CG2 3.46Å; M70-V75 HydrophobicContact SD-CG1 4.09Å; M70-V75 HydrophobicContact SD-CG2 3.69Å; K73-V75 PolarHBondContact O-N 3.37Å; V75-F77 HydrophobicContact CB-CD2 4.44Å; V75-F77 HydrophobicContact CB-CE2 3.74Å; V75-F77 HydrophobicContact CB-CZ 3.99Å; V75-F77 HydrophobicContact CG1-CD2 4.17Å; V75-F77 HydrophobicContact CG1-CE1 4.09Å; V75-F77 HydrophobicContact CG1-CE2 3.7Å; V75-F77 HydrophobicContact CG1-CZ 3.65Å; V75-E86 WeakPolarHBondContact O-CA 3.49Å; V75-A87 PolarHBondContact N-O 3.38Å; V75-A87 PolarHBondContact O-N 2.86Å; V75-F89 HydrophobicContact CB-CB 4.4Å; V75-F89 HydrophobicContact CG2-CB 3.48Å; V75-F89 VanDerWaalsContact CG2-CB 3.48Å; V75-F89 HydrophobicContact CG2-CG 4.42Å; V75-F124 HydrophobicContact CG1-CB 3.76Å; V75-F124 HydrophobicContact CG1-CD2 3.97Å; V75-F124 HydrophobicContact CG1-CG 4.21Å; V75-T125 WeakPolarHBondContact CA-O 3.17Å; V75-F126 HydrophobicContact CG2-CB 3.95Å
76R98.3Very high96Very high115 Ų11573.6 Ų73.643%0.43437%0.367SS..EExtended strand (participates in β ladder)trans-95.2118.9170.9-69.4-173.8-62.7-92.1-3.9109.3V85 E86 F124 T125R76-V85 CarbonylContact C-O 3.56Å; R76-V85 WeakPolarHBondContact CA-O 3.12Å; R76-E86 HydrophobicContact CG-CG 4.45Å; R76-F124 CarbonylContact O-C 3.5Å; R76-F124 WeakPolarHBondContact O-CA 3.43Å; R76-T125 PolarHBondContact N-O 3.39Å; R76-T125 PolarHBondContact O-N 3.19Å
77F98Very high96.2Very high0 Ų071.2 Ų71.20%035%0.352CS..EExtended strand (participates in β ladder)trans-99.5130.2175.1-59.2-94.3000109.6V75 M79 N84 V85 A87 F99 V101 I116 V121 F124V75-F77 HydrophobicContact CB-CD2 4.44Å; V75-F77 HydrophobicContact CB-CE2 3.74Å; V75-F77 HydrophobicContact CB-CZ 3.99Å; V75-F77 HydrophobicContact CG1-CD2 4.17Å; V75-F77 HydrophobicContact CG1-CE1 4.09Å; V75-F77 HydrophobicContact CG1-CE2 3.7Å; V75-F77 HydrophobicContact CG1-CZ 3.65Å; F77-M79 HydrophobicContact CB-CG 4.47Å; F77-N84 WeakPolarHBondContact O-CA 3.2Å; F77-V85 HydrophobicContact CB-CG2 3.77Å; F77-V85 HydrophobicContact CD2-CG2 4.34Å; F77-V85 HydrophobicContact CG-CG2 4.45Å; F77-V85 PolarHBondContact N-O 3.41Å; F77-V85 PolarHBondContact O-N 2.93Å; F77-A87 HydrophobicContact CE2-CB 4.28Å; F77-F99 HydrophobicContact CE1-CB 4.46Å; F77-F99 HydrophobicContact CE1-CD2 4.08Å; F77-F99 HydrophobicContact CE1-CG 4.19Å; F77-V101 HydrophobicContact CE2-CG1 4.05Å; F77-V101 HydrophobicContact CZ-CG1 3.96Å; F77-I116 HydrophobicContact CD1-CD1 4.49Å; F77-I116 HydrophobicContact CD2-CD1 4.03Å; F77-I116 HydrophobicContact CE2-CD1 4.12Å; F77-I116 HydrophobicContact CG-CD1 4.23Å; F77-I116 HydrophobicContact CZ-CD1 4.4Å; F77-V121 HydrophobicContact CD1-CG1 4.04Å; F77-V121 HydrophobicContact CD1-CG2 4.01Å; F77-F124 HydrophobicContact CD1-CB 3.69Å; F77-F124 HydrophobicContact CD1-CG 4.45Å; F77-F124 HydrophobicContact CE1-CB 3.98Å; F77-F124 HydrophobicContact CE1-CG 4.35Å; F77-F124 HydrophobicContact CG-CB 4.3Å
78H97.6Very high96.4Very high65 Ų6571.4 Ų71.430%0.30135%0.354SS..EExtended strand (participates in β ladder)trans-99.6116.6170.9-59.482.7000107.5N84 I122 S123H78-N84 PolarHBondContact CD2-OD1 2.99Å; H78-I122 WeakPolarHBondContact O-CB 3.41Å; H78-I122 PolarHBondContact O-N 3.08Å; H78-S123 PolarHBondContact N-O 3.32Å; H78-S123 PolarHBondContact ND1-OG 2.82Å; H78-S123 PolarHBondContact O-N 2.7Å
79M96.3Very high96.6Very high38 Ų3865 Ų6519%0.18732%0.32CS..EExtended strand (participates in β ladder)trans-109176-174-56.5-175.976.600110.8F77 V83 V85 I116 D120 I122F77-M79 HydrophobicContact CB-CG 4.47Å; M79-V83 HydrophobicContact CB-CB 4.24Å; M79-V83 WeakPolarHBondContact CB-O 3.22Å; M79-V83 PolarHBondContact N-O 3.11Å; M79-V85 HydrophobicContact CG-CG2 4.34Å; M79-V85 HydrophobicContact SD-CG1 4.22Å; M79-V85 HydrophobicContact SD-CG2 3.65Å; M79-I116 HydrophobicContact CE-CG2 4.14Å; M79-D120 VanDerWaalsContact CA-O 3.26Å; M79-D120 WeakPolarHBondContact CA-O 3.48Å; M79-D120 WeakPolarHBondContact CB-O 3.46Å; M79-D120 HydrophobicContact CE-CB 3.51Å; M79-I122 WeakPolarHBondContact O-CD1 3.05Å
80H94.8Very high96.7Very high107 Ų10764.6 Ų64.650%0.49532%0.319SS..G310 helixtrans-57.6161.6169.7-71.1-79.6000112K82 V83 Q119H80-K82 PolarHBondContact O-N 3.49Å; H80-V83 PolarHBondContact O-N 2.84Å; H80-Q119 PolarHBondContact NE2-O 2.96Å
81E93.4Very high96.7Very high175 Ų17566.8 Ų66.882%0.81834%0.338SS*.G310 helixtrans59.126.3-178.3-54.1-54.1140.300114.9V83E81-V83 HydrophobicContact CB-CG2 4.34Å; E81-V83 PolarHBondContact O-N 3.38Å
82K91.2Very high96.7Very high196 Ų19665.3 Ų65.385%0.85233%0.327SS*.G310 helixtrans58.426.1-179.1-54.1177.1-178.9175.80113.3H80H80-K82 PolarHBondContact O-N 3.49Å
83V94.6Very high96.4Very high51 Ų5161.6 Ų61.631%0.30931%0.307SS..  trans-79.8124.3176.1178.40000108.9M79 H80 E81 V85M79-V83 HydrophobicContact CB-CB 4.24Å; M79-V83 WeakPolarHBondContact CB-O 3.22Å; M79-V83 PolarHBondContact N-O 3.11Å; H80-V83 PolarHBondContact O-N 2.84Å; E81-V83 HydrophobicContact CB-CG2 4.34Å; E81-V83 PolarHBondContact O-N 3.38Å; V83-V85 HydrophobicContact CG1-CG1 3.88Å
84N96.3Very high95.6Very high103 Ų10364.9 Ų64.955%0.55133%0.326SS*.EExtended strand (participates in β ladder)trans-112.4123.1174.6-58.5-45.1000108.4F77 H78F77-N84 WeakPolarHBondContact O-CA 3.2Å; H78-N84 PolarHBondContact CD2-OD1 2.99Å
85V97.4Very high94.9Very high8 Ų864 Ų645%0.04833%0.328CS..EExtended strand (participates in β ladder)trans-122.7146.3178.4-61.50000110.1R76 F77 M79 V83 L104 H105R76-V85 CarbonylContact C-O 3.56Å; R76-V85 WeakPolarHBondContact CA-O 3.12Å; F77-V85 HydrophobicContact CB-CG2 3.77Å; F77-V85 HydrophobicContact CD2-CG2 4.34Å; F77-V85 HydrophobicContact CG-CG2 4.45Å; F77-V85 PolarHBondContact N-O 3.41Å; F77-V85 PolarHBondContact O-N 2.93Å; M79-V85 HydrophobicContact CG-CG2 4.34Å; M79-V85 HydrophobicContact SD-CG1 4.22Å; M79-V85 HydrophobicContact SD-CG2 3.65Å; V83-V85 HydrophobicContact CG1-CG1 3.88Å; V85-L104 HydrophobicContact CB-CD1 3.68Å; V85-L104 HydrophobicContact CG1-CD1 4.4Å; V85-L104 HydrophobicContact CG2-CD1 3.65Å; V85-H105 WeakPolarHBondContact CB-O 3.4Å
86E98.3Very high94.5Very high58 Ų5865.1 Ų65.127%0.27134%0.335SS..EExtended strand (participates in β ladder)trans-113.3136.2173.6-175.8176.4112.900108.8K74 V75 R76 H105K74-E86 WeakPolarHBondContact CD-OE1 3.48Å; K74-E86 WeakPolarHBondContact CE-OE1 3.46Å; K74-E86 IonicContact NZ-OE1 3.86Å; K74-E86 PolarHBondContact NZ-OE1 3.26Å; V75-E86 WeakPolarHBondContact O-CA 3.49Å; R76-E86 HydrophobicContact CG-CG 4.45Å; E86-H105 WeakPolarHBondContact O-CB 3.45Å; E86-H105 PolarHBondContact O-N 3.44Å
87A98.4Very high94.1Very high2 Ų264 Ų642%0.01734%0.337CS..EExtended strand (participates in β ladder)trans-148.9162.4174.900000111K74 V75 F77 V101 L104K74-A87 WeakPolarHBondContact CA-O 3.48Å; V75-A87 PolarHBondContact N-O 3.38Å; V75-A87 PolarHBondContact O-N 2.86Å; F77-A87 HydrophobicContact CE2-CB 4.28Å; A87-V101 HydrophobicContact CB-CB 3.64Å; A87-V101 HydrophobicContact CB-CG1 4.15Å; A87-V101 HydrophobicContact CB-CG2 3.74Å; A87-L104 HydrophobicContact CB-CB 4.11Å; A87-L104 HydrophobicContact CB-CD1 3.81Å
88T98.6Very high93.9Very high24 Ų2466.1 Ų66.115%0.14735%0.348CS..EExtended strand (participates in β ladder)trans-82.5117.9167.8-58.70000108.4K73 G90 V101 S102K73-T88 WeakPolarHBondContact O-CA 3.33Å; T88-G90 PolarHBondContact O-N 3.46Å; T88-V101 CarbonylContact O-C 3.58Å; T88-V101 VanDerWaalsContact O-CA 3.23Å; T88-V101 WeakPolarHBondContact O-CA 3.28Å; T88-V101 WeakPolarHBondContact O-CB 3.41Å; T88-S102 WeakPolarHBondContact CB-OG 3.19Å; T88-S102 PolarHBondContact N-O 2.91Å; T88-S102 PolarHBondContact O-N 3.46Å
89F98.4Very high93.9Very high4 Ų463.2 Ų63.22%0.01834%0.335CS..EExtended strand (participates in β ladder)trans-72.7126.8177.9175.7-97.1000110.8M70 N72 K73 V75 A91 F99M70-F89 HydrophobicContact CB-CD1 4.02Å; M70-F89 HydrophobicContact CB-CE1 4.34Å; M70-F89 HydrophobicContact CE-CD1 3.77Å; M70-F89 HydrophobicContact CE-CD2 3.59Å; M70-F89 HydrophobicContact CE-CE1 3.68Å; M70-F89 HydrophobicContact CE-CE2 3.52Å; M70-F89 HydrophobicContact CE-CG 3.72Å; M70-F89 HydrophobicContact CE-CZ 3.54Å; M70-F89 HydrophobicContact CG-CB 4.02Å; M70-F89 HydrophobicContact CG-CD1 3.78Å; M70-F89 HydrophobicContact CG-CE1 4.43Å; M70-F89 HydrophobicContact CG-CG 3.88Å; M70-F89 WeakPolarHBondContact O-CD1 3.4Å; M70-F89 HydrophobicContact SD-CD1 4.49Å; M70-F89 HydrophobicContact SD-CD2 4.45Å; M70-F89 HydrophobicContact SD-CG 4.25Å; N72-F89 WeakPolarHBondContact CA-O 3.31Å; N72-F89 PolarHBondContact N-O 2.97Å; K73-F89 PolarHBondContact O-N 3.37Å; V75-F89 HydrophobicContact CB-CB 4.4Å; V75-F89 HydrophobicContact CG2-CB 3.48Å; V75-F89 VanDerWaalsContact CG2-CB 3.48Å; V75-F89 HydrophobicContact CG2-CG 4.42Å; F89-A91 VanDerWaalsContact CE2-O 3.32Å; F89-A91 WeakPolarHBondContact CE2-O 3.4Å; F89-F99 HydrophobicContact CE2-CB 4.33Å; F89-F99 AromaticContact CE2-CD1 3.84Å; F89-F99 HydrophobicContact CE2-CD1 3.84Å
90G97.4Very high94Very high29 Ų2964.5 Ų64.530%0.29934%0.34SS..EExtended strand (participates in β ladder)trans-102.4-61.8174.200000111.9T88 Q100T88-G90 PolarHBondContact O-N 3.46Å; G90-Q100 VanDerWaalsContact CA-OE1 3.26Å; G90-Q100 PolarHBondContact N-O 3.43Å
91A96.3Very high94.2Very high47 Ų4759.4 Ų59.439%0.38832%0.317SS..EExtended strand (participates in β ladder)trans-150.6163.6-176.100000113.5F89 F99 Q100F89-A91 VanDerWaalsContact CE2-O 3.32Å; F89-A91 WeakPolarHBondContact CE2-O 3.4Å; A91-F99 CarbonylContact O-C 3.59Å; A91-F99 WeakPolarHBondContact O-CA 3.31Å; A91-Q100 PolarHBondContact N-O 2.9Å; A91-Q100 PolarHBondContact O-N 2.93Å
92S95.3Very high94.4Very high32 Ų3252.2 Ų52.222%0.22429%0.285CS..EExtended strand (participates in β ladder)trans-124.1151.4167.8178.70000108.8V96 N98S92-V96 WeakPolarHBondContact OG-CA 3.29Å; S92-N98 WeakPolarHBondContact CA-O 3.39Å; S92-N98 PolarHBondContact OG-O 3.45Å
93D89.6Confident94.8Very high54 Ų5446.4 Ų46.429%0.28926%0.264SS..  trans-66.4164.8161.458.92.4000111.1D95 V96 L97 N98D93-D95 PolarHBondContact O-N 3.4Å; D93-V96 PolarHBondContact O-N 2.87Å; D93-V96 WeakPolarHBondContact OD1-CA 3.28Å; D93-V96 PolarHBondContact OD1-N 3.31Å; D93-L97 PolarHBondContact OD1-N 3.27Å; D93-L97 WeakPolarHBondContact OD2-CB 3.49Å; D93-N98 PolarHBondContact N-O 3.13Å; D93-N98 PolarHBondContact OD1-N 3.32Å; D93-N98 VanDerWaalsContact OD1-N 3.1Å; D93-N98 PolarHBondContact OD2-N 3.41Å; D93-N98 PolarHBondContact OD2-ND2 3Å
94I81.4Confident94.9Very high123 Ų12344.9 Ų44.963%0.63125%0.254SS*.THydrogen-bonded Turntrans-62.5-35.2-176.3-167.7168.5000111.5R60 V96R60-I94 PolarHBondContact NH2-O 3.39Å; I94-V96 VanDerWaalsContact C-N 3.31Å
95D83.7Confident95Very high114 Ų11444 Ų4461%0.6125%0.246SC*.THydrogen-bonded Turntrans-87.4-3.5-177.4-59.8-40.7000112.9D93 L97D93-D95 PolarHBondContact O-N 3.4Å; D95-L97 VanDerWaalsContact C-N 3.27Å; D95-L97 HydrophobicContact CB-CD1 4.2Å; D95-L97 HydrophobicContact CB-CG 3.96Å; D95-L97 PolarHBondContact O-N 3.06Å
96V88.8Confident94.9Very high23 Ų2346.3 Ų46.314%0.13926%0.26CS..SBendtrans55.645.5-179.2-162.80000111.5F63 L67 S92 D93 I94 F99 S118F63-V96 HydrophobicContact CE1-CG2 3.53Å; F63-V96 HydrophobicContact CZ-CB 4.32Å; F63-V96 HydrophobicContact CZ-CG1 4.28Å; F63-V96 HydrophobicContact CZ-CG2 3.63Å; L67-V96 HydrophobicContact CD1-CG2 4Å; S92-V96 WeakPolarHBondContact OG-CA 3.29Å; D93-V96 PolarHBondContact O-N 2.87Å; D93-V96 WeakPolarHBondContact OD1-CA 3.28Å; D93-V96 PolarHBondContact OD1-N 3.31Å; I94-V96 VanDerWaalsContact C-N 3.31Å; V96-F99 HydrophobicContact CG1-CD1 4.48Å; V96-F99 HydrophobicContact CG1-CE1 3.46Å; V96-F99 VanDerWaalsContact CG1-CE1 3.46Å; V96-F99 HydrophobicContact CG1-CZ 3.6Å; V96-S118 VanDerWaalsContact O-CB 3.22Å; V96-S118 WeakPolarHBondContact O-CB 3.39Å; V96-S118 PolarHBondContact O-OG 3.47Å
97L90.2Very high94.5Very high92 Ų9249.2 Ų49.248%0.48228%0.284SS..SBendtrans-89.8-21.8170.3-55.2177.9000110.9D93 D95 R117 S118D93-L97 PolarHBondContact OD1-N 3.27Å; D93-L97 WeakPolarHBondContact OD2-CB 3.49Å; D95-L97 VanDerWaalsContact C-N 3.27Å; D95-L97 HydrophobicContact CB-CD1 4.2Å; D95-L97 HydrophobicContact CB-CG 3.96Å; D95-L97 PolarHBondContact O-N 3.06Å; L97-R117 CarbonylContact O-C 3.59Å; L97-R117 WeakPolarHBondContact O-CA 3.44Å; L97-S118 WeakPolarHBondContact CA-OG 3.43Å; L97-S118 PolarHBondContact O-N 3.39Å; L97-S118 PolarHBondContact O-OG 2.89Å
98N94Very high94.2Very high43 Ų4357.3 Ų57.323%0.2333%0.325CS..EExtended strand (participates in β ladder)trans-144.7142.1-175.9-52.9-81.6000112.4S92 D93 L115 I116S92-N98 WeakPolarHBondContact CA-O 3.39Å; S92-N98 PolarHBondContact OG-O 3.45Å; D93-N98 PolarHBondContact N-O 3.13Å; D93-N98 PolarHBondContact OD1-N 3.32Å; D93-N98 VanDerWaalsContact OD1-N 3.1Å; D93-N98 PolarHBondContact OD2-N 3.41Å; D93-N98 PolarHBondContact OD2-ND2 3Å; N98-L115 HydrophobicContact CB-CD1 3.77Å; N98-L115 HydrophobicContact CB-CD2 4.23Å; N98-L115 HydrophobicContact CB-CG 4Å; N98-I116 CarbonylContact C-O 3.58Å; N98-I116 WeakPolarHBondContact CA-O 3.48Å
99F97.8Very high94.1Very high5 Ų557.8 Ų57.82%0.02234%0.335CS..EExtended strand (participates in β ladder)trans-114.6116.5173.3-52.1-73000109.4F77 F89 A91 V96 V101 L115 I116 V121 F124F77-F99 HydrophobicContact CE1-CB 4.46Å; F77-F99 HydrophobicContact CE1-CD2 4.08Å; F77-F99 HydrophobicContact CE1-CG 4.19Å; F89-F99 HydrophobicContact CE2-CB 4.33Å; F89-F99 AromaticContact CE2-CD1 3.84Å; F89-F99 HydrophobicContact CE2-CD1 3.84Å; A91-F99 CarbonylContact O-C 3.59Å; A91-F99 WeakPolarHBondContact O-CA 3.31Å; V96-F99 HydrophobicContact CG1-CD1 4.48Å; V96-F99 HydrophobicContact CG1-CE1 3.46Å; V96-F99 VanDerWaalsContact CG1-CE1 3.46Å; V96-F99 HydrophobicContact CG1-CZ 3.6Å; F99-V101 HydrophobicContact CB-CG1 4.32Å; F99-L115 WeakPolarHBondContact O-CA 3.28Å; F99-I116 HydrophobicContact CB-CB 4.41Å; F99-I116 PolarHBondContact N-O 3.29Å; F99-I116 PolarHBondContact O-N 2.91Å; F99-V121 HydrophobicContact CD2-CG2 4.43Å; F99-V121 HydrophobicContact CE2-CG2 4.32Å; F99-F124 HydrophobicContact CE1-CE1 4.29Å; F99-F124 HydrophobicContact CZ-CD1 4.3Å; F99-F124 AromaticContact CZ-CE1 3.98Å; F99-F124 HydrophobicContact CZ-CE1 3.98Å
100Q98.2Very high94.1Very high65 Ų6561.4 Ų61.430%0.30436%0.357SS..EExtended strand (participates in β ladder)trans-80.3129.1165.9-178.8-85.1-25.600108.6G90 A91 E113 L115G90-Q100 VanDerWaalsContact CA-OE1 3.26Å; G90-Q100 PolarHBondContact N-O 3.43Å; A91-Q100 PolarHBondContact N-O 2.9Å; A91-Q100 PolarHBondContact O-N 2.93Å; Q100-E113 PolarHBondContact NE2-OE2 3.04Å; Q100-L115 HydrophobicContact CB-CD1 4.22Å
101V98.5Very high94.1Very high0 Ų065.4 Ų65.40%037%0.368CS..EExtended strand (participates in β ladder)trans-137.4150.6-178.4-56.40000110.2F77 A87 T88 F99 L104 A114 I116F77-V101 HydrophobicContact CE2-CG1 4.05Å; F77-V101 HydrophobicContact CZ-CG1 3.96Å; A87-V101 HydrophobicContact CB-CB 3.64Å; A87-V101 HydrophobicContact CB-CG1 4.15Å; A87-V101 HydrophobicContact CB-CG2 3.74Å; T88-V101 CarbonylContact O-C 3.58Å; T88-V101 VanDerWaalsContact O-CA 3.23Å; T88-V101 WeakPolarHBondContact O-CA 3.28Å; T88-V101 WeakPolarHBondContact O-CB 3.41Å; F99-V101 HydrophobicContact CB-CG1 4.32Å; V101-L104 HydrophobicContact CG2-CB 4.13Å; V101-A114 HydrophobicContact CG2-CB 3.95Å; V101-A114 PolarHBondContact N-O 3.43Å; V101-A114 PolarHBondContact O-N 3.02Å; V101-I116 HydrophobicContact CG1-CD1 4.2Å; V101-I116 HydrophobicContact CG2-CD1 3.89Å; V101-I116 HydrophobicContact CG2-CG1 4.1Å
102S98.6Very high94.1Very high23 Ų2371.1 Ų71.116%0.16138%0.384CS..EExtended strand (participates in β ladder)trans-110.4160168.574.60000110.7T88 L104 K112T88-S102 WeakPolarHBondContact CB-OG 3.19Å; T88-S102 PolarHBondContact N-O 2.91Å; T88-S102 PolarHBondContact O-N 3.46Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3Å; S102-K112 CarbonylContact C-O 3.52Å; S102-K112 WeakPolarHBondContact CA-O 3.03Å; S102-K112 WeakPolarHBondContact CB-O 3.21Å
103D98.3Very high94.3Very high75 Ų7575 Ų7540%0.40140%0.398SS..EExtended strand (participates in β ladder)trans51.348.6177.6-53.4-61.2000112.6H105 V110 Q111 K112D103-H105 PolarHBondContact O-CE1 3.2Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-H105 PolarHBondContact O-ND1 3.02Å; D103-V110 HydrophobicContact CB-CG1 4.42Å; D103-Q111 CarbonylContact C-O 3.55Å; D103-K112 PolarHBondContact N-O 3.05Å
104L98.4Very high94.7Very high18 Ų1873.4 Ų73.49%0.09439%0.393CS..EExtended strand (participates in β ladder)trans-70.8110.1178.5174.164.6000110.1V85 A87 V101 S102 T106 V110 Q111 A114 I116V85-L104 HydrophobicContact CB-CD1 3.68Å; V85-L104 HydrophobicContact CG1-CD1 4.4Å; V85-L104 HydrophobicContact CG2-CD1 3.65Å; A87-L104 HydrophobicContact CB-CB 4.11Å; A87-L104 HydrophobicContact CB-CD1 3.81Å; V101-L104 HydrophobicContact CG2-CB 4.13Å; S102-L104 VanDerWaalsContact C-N 3.31Å; S102-L104 PolarHBondContact O-N 3Å; L104-T106 HydrophobicContact CD2-CG2 4.24Å; L104-T106 HydrophobicContact CG-CG2 4.01Å; L104-T106 PolarHBondContact O-N 3.14Å; L104-V110 WeakPolarHBondContact O-CA 3.26Å; L104-Q111 HydrophobicContact CB-CB 4.26Å; L104-Q111 PolarHBondContact N-O 2.77Å; L104-Q111 PolarHBondContact O-N 3.18Å; L104-A114 HydrophobicContact CB-CB 4.18Å; L104-A114 HydrophobicContact CD2-CB 3.57Å; L104-I116 HydrophobicContact CD1-CD1 4.04Å; L104-I116 HydrophobicContact CD2-CD1 4.43Å; L104-I116 HydrophobicContact CD2-CG1 4.42Å
105H97.9Very high95.4Very high86 Ų8673 Ų7340%0.39839%0.392SS..EExtended strand (participates in β ladder)trans-83.5107.8177.5-6864.7000109.5V85 E86 D103V85-H105 WeakPolarHBondContact CB-O 3.4Å; E86-H105 WeakPolarHBondContact O-CB 3.45Å; E86-H105 PolarHBondContact O-N 3.44Å; D103-H105 PolarHBondContact O-CE1 3.2Å; D103-H105 PolarHBondContact O-N 3.34Å; D103-H105 PolarHBondContact O-ND1 3.02Å
106T94.5Very high96.1Very high55 Ų5568 Ų6834%0.33737%0.365SS..EExtended strand (participates in β ladder)trans-105163172.173.70000109.9L104 I108 G109L104-T106 HydrophobicContact CD2-CG2 4.24Å; L104-T106 HydrophobicContact CG-CG2 4.01Å; L104-T106 PolarHBondContact O-N 3.14Å; T106-I108 PolarHBondContact O-N 2.85Å; T106-I108 PolarHBondContact OG1-N 3.34Å; T106-G109 WeakPolarHBondContact CA-O 3.4Å; T106-G109 PolarHBondContact N-O 3.11Å; T106-G109 PolarHBondContact O-N 2.62Å; T106-G109 VanDerWaalsContact O-N 3.13Å; T106-G109 VanDerWaalsContact O-O 3.13Å; T106-G109 PolarHBondContact OG1-N 3.21Å; T106-G109 PolarHBondContact OG1-O 3.4Å
107P89.8Confident96.5Very high120 Ų12072.8 Ų72.878%0.77938%0.38SS*.THydrogen-bonded Turntrans-57.4-22.7176-27.236.1000114.8
108I93.3Very high96.7Very high172 Ų17270 Ų7088%0.88237%0.369SS*.THydrogen-bonded Turntrans-94.9-19.6-176.1-51.8175.1000111T106T106-I108 PolarHBondContact O-N 2.85Å; T106-I108 PolarHBondContact OG1-N 3.34Å
109G95.1Very high96.8Very high33 Ų3374.9 Ų74.934%0.3439%0.39SS..EExtended strand (participates in β ladder)trans157.9-172-179.600000113.5T106T106-G109 WeakPolarHBondContact CA-O 3.4Å; T106-G109 PolarHBondContact N-O 3.11Å; T106-G109 PolarHBondContact O-N 2.62Å; T106-G109 VanDerWaalsContact O-N 3.13Å; T106-G109 VanDerWaalsContact O-O 3.13Å; T106-G109 PolarHBondContact OG1-N 3.21Å; T106-G109 PolarHBondContact OG1-O 3.4Å
110V98Very high96.8Very high81 Ų8176.9 Ų76.949%0.49140%0.401SS..EExtended strand (participates in β ladder)trans-100.7121.6-178.9-175.60000110D103 L104D103-V110 HydrophobicContact CB-CG1 4.42Å; L104-V110 WeakPolarHBondContact O-CA 3.26Å
111Q97.8Very high96.7Very high113 Ų11374.7 Ų74.753%0.52839%0.392SS..EExtended strand (participates in β ladder)trans-94118.2172.2-177.471.7-4.900108.9D103 L104 E113 A114D103-Q111 CarbonylContact C-O 3.55Å; L104-Q111 HydrophobicContact CB-CB 4.26Å; L104-Q111 PolarHBondContact N-O 2.77Å; L104-Q111 PolarHBondContact O-N 3.18Å; Q111-E113 VanDerWaalsContact C-N 3.34Å; Q111-E113 WeakPolarHBondContact CG-O 3.22Å; Q111-E113 PolarHBondContact O-N 3.11Å; Q111-A114 HydrophobicContact CG-CB 4.16Å
112K97.8Very high96.6Very high167 Ų16780.1 Ų80.173%0.72642%0.42SS*.EExtended strand (participates in β ladder)trans-58.5-43.8-174.5-72.2-172.4175.9-176.40113.2S102 D103S102-K112 CarbonylContact C-O 3.52Å; S102-K112 WeakPolarHBondContact CA-O 3.03Å; S102-K112 WeakPolarHBondContact CB-O 3.21Å; D103-K112 PolarHBondContact N-O 3.05Å
113E98.1Very high96.6Very high112 Ų11281.6 Ų81.652%0.52343%0.43SS..EExtended strand (participates in β ladder)trans-137.4134.4180-66.4-62.8153.800109Q100 Q111Q100-E113 PolarHBondContact NE2-OE2 3.04Å; Q111-E113 VanDerWaalsContact C-N 3.34Å; Q111-E113 WeakPolarHBondContact CG-O 3.22Å; Q111-E113 PolarHBondContact O-N 3.11Å
114A97.9Very high96.5Very high22 Ų2281 Ų8118%0.18242%0.424CS..EExtended strand (participates in β ladder)trans-146.7155.2179.600000112V101 L104 Q111V101-A114 HydrophobicContact CG2-CB 3.95Å; V101-A114 PolarHBondContact N-O 3.43Å; V101-A114 PolarHBondContact O-N 3.02Å; L104-A114 HydrophobicContact CB-CB 4.18Å; L104-A114 HydrophobicContact CD2-CB 3.57Å; Q111-A114 HydrophobicContact CG-CB 4.16Å
115L97.9Very high96.4Very high114 Ų11482.9 Ų82.960%0.59744%0.436SS*.EExtended strand (participates in β ladder)trans-115.2112.1169-169.573.2000108N98 F99 Q100N98-L115 HydrophobicContact CB-CD1 3.77Å; N98-L115 HydrophobicContact CB-CD2 4.23Å; N98-L115 HydrophobicContact CB-CG 4Å; F99-L115 WeakPolarHBondContact O-CA 3.28Å; Q100-L115 HydrophobicContact CB-CD1 4.22Å
116I97.7Very high96.4Very high8 Ų880.4 Ų80.44%0.04143%0.425CS..EExtended strand (participates in β ladder)trans-93.8124.7176.7-56.1174.9000108.1F77 M79 N98 F99 V101 L104 V121F77-I116 HydrophobicContact CD1-CD1 4.49Å; F77-I116 HydrophobicContact CD2-CD1 4.03Å; F77-I116 HydrophobicContact CE2-CD1 4.12Å; F77-I116 HydrophobicContact CG-CD1 4.23Å; F77-I116 HydrophobicContact CZ-CD1 4.4Å; M79-I116 HydrophobicContact CE-CG2 4.14Å; N98-I116 CarbonylContact C-O 3.58Å; N98-I116 WeakPolarHBondContact CA-O 3.48Å; F99-I116 HydrophobicContact CB-CB 4.41Å; F99-I116 PolarHBondContact N-O 3.29Å; F99-I116 PolarHBondContact O-N 2.91Å; V101-I116 HydrophobicContact CG1-CD1 4.2Å; V101-I116 HydrophobicContact CG2-CD1 3.89Å; V101-I116 HydrophobicContact CG2-CG1 4.1Å; L104-I116 HydrophobicContact CD1-CD1 4.04Å; L104-I116 HydrophobicContact CD2-CD1 4.43Å; L104-I116 HydrophobicContact CD2-CG1 4.42Å; I116-V121 HydrophobicContact CG2-CG2 3.38Å
117R97.3Very high96.5Very high125 Ų12583.7 Ų83.747%0.47244%0.44SS..EExtended strand (participates in β ladder)trans-78142.6174.4-56.1173.8-63.2170.25.7109.3L97 Q119 D120L97-R117 CarbonylContact O-C 3.59Å; L97-R117 WeakPolarHBondContact O-CA 3.44Å; R117-Q119 PolarHBondContact O-N 3.26Å; R117-D120 WeakPolarHBondContact CB-OD2 3.38Å; R117-D120 IonicContact CZ-OD1 3.69Å; R117-D120 IonicContact CZ-OD2 3.36Å; R117-D120 IonicContact NE-OD1 2.84Å; R117-D120 IonicContact NE-OD2 2.93Å; R117-D120 PolarHBondContact NE-OD2 3Å; R117-D120 VanDerWaalsContact NH2-CG 3.34Å; R117-D120 IonicContact NH2-OD1 2.82Å; R117-D120 PolarHBondContact NH2-OD1 3.03Å; R117-D120 IonicContact NH2-OD2 3.02Å; R117-D120 PolarHBondContact NH2-OD2 3.46Å; R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 2.95Å
118S94.8Very high96.2Very high34 Ų3485.9 Ų85.924%0.23845%0.451CS..G310 helixtrans-62-28.6178.465.40000112.6V96 L97 D120 V121V96-S118 VanDerWaalsContact O-CB 3.22Å; V96-S118 WeakPolarHBondContact O-CB 3.39Å; V96-S118 PolarHBondContact O-OG 3.47Å; L97-S118 WeakPolarHBondContact CA-OG 3.43Å; L97-S118 PolarHBondContact O-N 3.39Å; L97-S118 PolarHBondContact O-OG 2.89Å; S118-D120 PolarHBondContact O-N 3.26Å; S118-V121 PolarHBondContact O-N 2.95Å
119Q96.3Very high96.4Very high145 Ų14581.6 Ų81.668%0.67843%0.429SS*.G310 helixtrans-62.5-24.1173.8-65.4177.9-1.600113.5H80 R117 V121H80-Q119 PolarHBondContact NE2-O 2.96Å; R117-Q119 PolarHBondContact O-N 3.26Å; Q119-V121 VanDerWaalsContact C-N 3.33Å
120D96.2Very high96.5Very high46 Ų4684.1 Ų84.125%0.24643%0.434CS..G310 helixtrans-87.5-8.5178.1-56.8-44000111.6M79 R117 S118M79-D120 VanDerWaalsContact CA-O 3.26Å; M79-D120 WeakPolarHBondContact CA-O 3.48Å; M79-D120 WeakPolarHBondContact CB-O 3.46Å; M79-D120 HydrophobicContact CE-CB 3.51Å; R117-D120 WeakPolarHBondContact CB-OD2 3.38Å; R117-D120 IonicContact CZ-OD1 3.69Å; R117-D120 IonicContact CZ-OD2 3.36Å; R117-D120 IonicContact NE-OD1 2.84Å; R117-D120 IonicContact NE-OD2 2.93Å; R117-D120 PolarHBondContact NE-OD2 3Å; R117-D120 VanDerWaalsContact NH2-CG 3.34Å; R117-D120 IonicContact NH2-OD1 2.82Å; R117-D120 PolarHBondContact NH2-OD1 3.03Å; R117-D120 IonicContact NH2-OD2 3.02Å; R117-D120 PolarHBondContact NH2-OD2 3.46Å; R117-D120 WeakPolarHBondContact O-CB 3.46Å; R117-D120 PolarHBondContact O-N 2.95Å; S118-D120 PolarHBondContact O-N 3.26Å
121V96.9Very high96.4Very high20 Ų2084.3 Ų84.312%0.12143%0.431CS..EExtended strand (participates in β ladder)trans-111.5125.3-173.2179.20000110.6F77 F99 I116 S118 Q119 S123F77-V121 HydrophobicContact CD1-CG1 4.04Å; F77-V121 HydrophobicContact CD1-CG2 4.01Å; F99-V121 HydrophobicContact CD2-CG2 4.43Å; F99-V121 HydrophobicContact CE2-CG2 4.32Å; I116-V121 HydrophobicContact CG2-CG2 3.38Å; S118-V121 PolarHBondContact O-N 2.95Å; Q119-V121 VanDerWaalsContact C-N 3.33Å; V121-S123 WeakPolarHBondContact CG1-O 3.47Å
122I97.1Very high96.3Very high113 Ų11382.6 Ų82.658%0.57943%0.425SS*.EExtended strand (participates in β ladder)trans-84.1-44.7172.7-59.1173.1000109.9H78 M79H78-I122 WeakPolarHBondContact O-CB 3.41Å; H78-I122 PolarHBondContact O-N 3.08Å; M79-I122 WeakPolarHBondContact O-CD1 3.05Å
123S96.8Very high96.2Very high54 Ų5477.3 Ų77.338%0.37841%0.406SS..EExtended strand (participates in β ladder)trans-159.3164.1178.568.10000111.1H78 V121H78-S123 PolarHBondContact N-O 3.32Å; H78-S123 PolarHBondContact ND1-OG 2.82Å; H78-S123 PolarHBondContact O-N 2.7Å; V121-S123 WeakPolarHBondContact CG1-O 3.47Å
124F96.7Very high96.1Very high62 Ų6275 Ų7527%0.27240%0.398SS..EExtended strand (participates in β ladder)trans-138.7155.6170.763-94000111.3M70 V75 R76 F77 F99 F126M70-F124 HydrophobicContact CE-CE2 3.93Å; M70-F124 HydrophobicContact CE-CZ 4.28Å; M70-F124 HydrophobicContact SD-CD2 3.65Å; M70-F124 HydrophobicContact SD-CE2 3.4Å; M70-F124 WeakPolarHBondContact SD-CE2 3.35Å; M70-F124 HydrophobicContact SD-CZ 4.31Å; V75-F124 HydrophobicContact CG1-CB 3.76Å; V75-F124 HydrophobicContact CG1-CD2 3.97Å; V75-F124 HydrophobicContact CG1-CG 4.21Å; R76-F124 CarbonylContact O-C 3.5Å; R76-F124 WeakPolarHBondContact O-CA 3.43Å; F77-F124 HydrophobicContact CD1-CB 3.69Å; F77-F124 HydrophobicContact CD1-CG 4.45Å; F77-F124 HydrophobicContact CE1-CB 3.98Å; F77-F124 HydrophobicContact CE1-CG 4.35Å; F77-F124 HydrophobicContact CG-CB 4.3Å; F99-F124 HydrophobicContact CE1-CE1 4.29Å; F99-F124 HydrophobicContact CZ-CD1 4.3Å; F99-F124 AromaticContact CZ-CE1 3.98Å; F99-F124 HydrophobicContact CZ-CE1 3.98Å; F124-F126 HydrophobicContact CE2-CD1 4.46Å
125T97.6Very high95.9Very high58 Ų5878.8 Ų78.836%0.35641%0.414SS..EExtended strand (participates in β ladder)trans-138.7141.9-17948.80000110.6V75 R76V75-T125 WeakPolarHBondContact CA-O 3.17Å; R76-T125 PolarHBondContact N-O 3.39Å; R76-T125 PolarHBondContact O-N 3.19Å
126F97.4Very high95.8Very high35 Ų3576.1 Ų76.115%0.15440%0.4CS..EExtended strand (participates in β ladder)trans-149.5156.2178.674.1-81.3000110M70 K73 V75 F124 V128M70-F126 HydrophobicContact CB-CD1 4.35Å; M70-F126 HydrophobicContact CB-CD2 4.23Å; M70-F126 HydrophobicContact CB-CE1 4.18Å; M70-F126 HydrophobicContact CB-CE2 4.04Å; M70-F126 HydrophobicContact CB-CG 4.37Å; M70-F126 HydrophobicContact CB-CZ 4.02Å; M70-F126 HydrophobicContact CG-CB 4.38Å; M70-F126 HydrophobicContact CG-CD1 3.97Å; M70-F126 HydrophobicContact CG-CD2 4.2Å; M70-F126 HydrophobicContact CG-CE1 4.27Å; M70-F126 HydrophobicContact CG-CE2 4.48Å; M70-F126 HydrophobicContact CG-CG 3.93Å; M70-F126 HydrophobicContact SD-CD1 3.84Å; M70-F126 HydrophobicContact SD-CE1 4.17Å; M70-F126 HydrophobicContact SD-CG 4.34Å; K73-F126 HydrophobicContact CD-CD2 3.9Å; K73-F126 HydrophobicContact CD-CE2 4.39Å; V75-F126 HydrophobicContact CG2-CB 3.95Å; F124-F126 HydrophobicContact CE2-CD1 4.46Å; F126-V128 HydrophobicContact CE2-CG2 3.87Å; F126-V128 HydrophobicContact CZ-CG2 4.16Å
127D95.4Very high95.6Very high123 Ų12381.8 Ų81.866%0.65843%0.43SS*.  trans-87.4129.7177.6-60-40.2000110K73K73-D127 VanDerWaalsContact CD-O 3.28Å; K73-D127 WeakPolarHBondContact CD-O 3.35Å; K73-D127 PolarHBondContact NZ-O 3.35Å
128V85.2Confident95.5Very high166 Ų16677.8 Ų77.8100%1.00643%0.426SS*.  trans-81.90-177.6-178.40000111.3K73 F126K73-V128 VanDerWaalsContact NZ-C 3.32Å; K73-V128 PolarHBondContact NZ-OXT 3.09Å; F126-V128 HydrophobicContact CE2-CG2 3.87Å; F126-V128 HydrophobicContact CZ-CG2 4.16Å

Retrieved 128 of 128 residues in 22.4 ms (Link to these results)