A0A087XY65_POEFO Loading...

Small nuclear ribonucleoprotein 25

AlphaFold DB (A0A3B3TM41), UniProt , Accession A0A087XY65, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 179 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
1M40.5Very low33.4Very low216 Ų216135.5 Ų135.5100%1.06482%0.818SS**  079.50-70.3178.6173.800108.5
2E34.5Very low33.4Very low175 Ų175137.4 Ų137.482%0.81881%0.812SS**  cis55.899.224.7-57.7158.2112.300112.7
3V35.7Very low33.4Very low134 Ų134143.2 Ų143.281%0.81281%0.811SS**  -171.9117.4104.1-83.40000105.4
4E33.7Very low32.9Very low164 Ų164137.5 Ų137.577%0.76680%0.8SS**  76.2128.368.4-76.1-152.712000115.8
5E34.3Very low32.7Very low168 Ų168139.3 Ų139.379%0.78580%0.803SS**  trans63.6157.6153.4-71.2-163.376.600119.8
6S33.6Very low32.8Very low103 Ų103138 Ų13872%0.7280%0.798SS**  cis-151.5163.97.37.80000112.3
7L34.8Very low32.9Very low168 Ų168137.2 Ų137.288%0.8879%0.789SS**  trans-80.4158.5160.6-61.396.5000110.6
8S31.8Very low32.8Very low114 Ų114139.8 Ų139.880%0.79779%0.793SS**  164.5130.4115.8-166.50000115.4
9A33.7Very low32.8Very low97 Ų97139.3 Ų139.380%0.80279%0.788SS**  trans34.5143.9140.500000125.3
10G28.8Very low32.8Very low84 Ų84141.7 Ų141.787%0.86679%0.792SS**  trans102.1131.8155.200000114.5
11G26.5Very low32.9Very low67 Ų67143.1 Ų143.169%0.69179%0.793SS**  cis144.8142.1-1.300000110.9
12E32.9Very low32.4Very low159 Ų159139.3 Ų139.374%0.74378%0.781SS**  trans69.8150.5168.1-49.2-162.193.800115.9
13R32.9Very low32.5Very low212 Ų212139.7 Ų139.780%0.878%0.78SS**  cis-158.7157.5-6.1-109.1169.9-109.8161.2-0.6104.2
14G26.8Very low32.6Very low64 Ų64142.5 Ų142.566%0.6678%0.781SS**  cis140.8107.27.200000110.5
15I30.5Very low32.6Very low165 Ų165143.2 Ų143.285%0.84679%0.785SS**  trans-154.3122.7173.9-60.7-173.8000105.9
16V34.1Very low32.6Very low118 Ų118143.6 Ų143.672%0.71578%0.784SS**  cis82.4112.811.8-170.30000114.6
17L34.4Very low32.8Very low124 Ų124144.9 Ų144.965%0.64978%0.783SS**  cis-166.4156.1-3.4-112.9175.3000108.6
18Q30.9Very low32.9Very low184 Ų184146.4 Ų146.486%0.8679%0.785SS**  trans160.1105.2142.8-91.4153.487.300108.2
19D32.3Very low33.5Very low130 Ų130149 Ų14970%0.69579%0.785SS**  77.391.864.7-70.4-54.6000113.2
20E33.8Very low33.9Very low187 Ų187150.3 Ų150.387%0.87479%0.785SS**  trans-146.1129.4151.8-128.7178.2137.300111.9
21E34.2Very low34.3Very low173 Ų173152.1 Ų152.181%0.80878%0.78SS**  trans6126.1179.8-65-171.871.200123.9
22V31Very low35.5Very low135 Ų135153 Ų15382%0.81878%0.781SS**  trans-86.4119.3158.1173.80000110.2
23K35Very low36.3Very low183 Ų183153.9 Ų153.980%0.79679%0.785SS**  trans-97.6141.6156.4-98.8-173175.8-174.80110.8
24K37.8Very low37Very low193 Ų193149.4 Ų149.484%0.83978%0.781SS**  trans-128.996.5-168.9-166-173.6-171.7-175.10110.6
25E33.7Very low38.4Very low179 Ų179154.3 Ų154.384%0.83679%0.787SS**  trans-131.4104169.4-66.8174.3-17600103.8
26K35.9Very low39.7Very low177 Ų177155 Ų15577%0.7779%0.787SS**  cis87.1105.445.6-163.3-170.2-176.7-139.70111.8
27D37.2Very low40.9Very low129 Ų129157.4 Ų157.469%0.6979%0.79SS**  trans5097.3162.9-54.4-39.3000117.3
28E36.8Very low42.5Very low200 Ų200157.9 Ų157.994%0.93579%0.793SS**  trans-99.5121.9142.4-79.9-171144.800108.1
29E44.2Very low43.9Very low168 Ų168158.7 Ų158.779%0.78580%0.797SS**  trans-67.7161.3176.1-71-175140.900111.1T31E29-T31 PolarHBondContact O-N 3.46Å
30P43Very low45.8Very low125 Ų125160 Ų16081%0.81280%0.804SS**  trans-58.9115.8166.627-34.2000108.3A32P30-A32 PolarHBondContact O-N 3.43Å
31T35.8Very low48Very low122 Ų122154.4 Ų154.475%0.74879%0.79SS**  trans-58.4107.5167.443.40000107.3E29 E33E29-T31 PolarHBondContact O-N 3.46Å; T31-E33 VanDerWaalsContact C-N 3.26Å; T31-E33 PolarHBondContact O-N 2.9Å
32A51.8Low50.3Low87 Ų87150 Ų15072%0.71977%0.772SS**  trans-60.699.9162.400000106.1P30 T34P30-A32 PolarHBondContact O-N 3.43Å; A32-T34 PolarHBondContact O-N 3.29Å
33E49.6Very low53.2Low176 Ų176146.6 Ų146.682%0.82275%0.752SS**  trans-58.999.2161-62.8-177.1-120.900104.7T31 E35T31-E33 VanDerWaalsContact C-N 3.26Å; T31-E33 PolarHBondContact O-N 2.9Å; E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 2.71Å
34T48.7Very low55.8Low119 Ų119144.4 Ų144.473%0.7374%0.744SS**  trans-63.9101.7171.6-56.30000105.3A32 E36A32-T34 PolarHBondContact O-N 3.29Å; T34-E36 VanDerWaalsContact C-N 3.3Å; T34-E36 PolarHBondContact O-N 3.1Å
35E55.5Low58.3Low166 Ų166138.4 Ų138.478%0.77673%0.727SS**  trans-55104.2161-66.1-179.6163.500105.3E33 E37E33-E35 VanDerWaalsContact C-N 3.29Å; E33-E35 PolarHBondContact O-N 2.71Å; E35-E37 PolarHBondContact O-N 2.95Å
36E57.4Low61.1Low180 Ų180134.2 Ų134.284%0.84171%0.707SS**  trans-66.987.2166.1-68.6-170.4177.900105.4T34 D38T34-E36 VanDerWaalsContact C-N 3.3Å; T34-E36 PolarHBondContact O-N 3.1Å; E36-D38 PolarHBondContact O-N 3.4Å
37E59.6Low63.8Low169 Ų169130 Ų13079%0.7969%0.692SS**  trans-57106.5165.3-69.7-172.9147.200106.2E35 E39E35-E37 PolarHBondContact O-N 2.95Å; E37-E39 PolarHBondContact O-N 2.95Å
38D67.4Low66.3Low134 Ų134127.1 Ų127.172%0.71768%0.676SS**  trans-52.7101174.5-91.9-48.5000108.4E36 D40 A41E36-D38 PolarHBondContact O-N 3.4Å; D38-D40 PolarHBondContact O-N 3.24Å; D38-A41 HydrophobicContact CB-CB 3.67Å; D38-A41 VanDerWaalsContact O-CB 3.26Å; D38-A41 WeakPolarHBondContact O-CB 3.36Å; D38-A41 PolarHBondContact O-N 2.8Å
39E62.1Low68.9Low201 Ų201122.3 Ų122.394%0.93966%0.657SS**THydrogen-bonded Turntrans-62.3-17.5-178.2-67.2-17013900112.2E37E37-E39 PolarHBondContact O-N 2.95Å
40D70.7Confident71.2Confident157 Ų157119.4 Ų119.484%0.8465%0.646SS**THydrogen-bonded Turntrans-92.9-0.8174.5-70.4-49000113.9D38 L42D38-D40 PolarHBondContact O-N 3.24Å; D40-L42 PolarHBondContact O-N 3.43Å; D40-L42 VanDerWaalsContact O-N 3.15Å
41A81.3Confident73.5Confident69 Ų69119.4 Ų119.457%0.5763%0.633SS**  trans-73.9105.9-179.800000111.8D38D38-A41 HydrophobicContact CB-CB 3.67Å; D38-A41 VanDerWaalsContact O-CB 3.26Å; D38-A41 WeakPolarHBondContact O-CB 3.36Å; D38-A41 PolarHBondContact O-N 2.8Å
42L82.5Confident76.1Confident82 Ų82118.6 Ų118.643%0.42962%0.621SS.*  trans-56.9143.6171.8-59.8-178.6000111.2D40 E46 I47 I50D40-L42 PolarHBondContact O-N 3.43Å; D40-L42 VanDerWaalsContact O-N 3.15Å; L42-E46 HydrophobicContact CB-CB 4.29Å; L42-I47 HydrophobicContact CB-CD1 4.5Å; L42-I47 HydrophobicContact CB-CG1 3.94Å; L42-I47 WeakPolarHBondContact O-CD1 3.27Å; L42-I50 HydrophobicContact CD1-CD1 3.77Å
43P90.9Very high78Confident63 Ų63119.6 Ų119.641%0.40961%0.611SS.*  trans-62.7149.5175.528.4-36000110.6S45 E46 I47P43-S45 PolarHBondContact O-N 3.38Å; P43-E46 HydrophobicContact CG-CB 4.16Å; P43-E46 HydrophobicContact CG-CG 3.8Å; P43-E46 WeakPolarHBondContact CG-OE1 2.96Å; P43-E46 PolarHBondContact O-N 3.01Å; P43-I47 PolarHBondContact O-N 2.77Å
44H89.1Confident80Confident136 Ų136113 Ų11363%0.6359%0.59SS**Hα-helixtrans-52-33.7-174.2-177.654.8000113.9I47 L48H44-I47 PolarHBondContact O-N 3.45Å; H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 2.89Å
45S91.9Very high82Confident68 Ų68109.8 Ų109.848%0.47657%0.568SS.*Hα-helixtrans-61.2-45.4174.347.90000113.2P43 I47 L48 D49P43-S45 PolarHBondContact O-N 3.38Å; S45-I47 VanDerWaalsContact C-N 3.33Å; S45-I47 PolarHBondContact O-N 3.44Å; S45-L48 PolarHBondContact O-N 3.39Å; S45-D49 VanDerWaalsContact O-CG 3.27Å; S45-D49 PolarHBondContact O-N 3.34Å
46E92.1Very high83.5Confident90 Ų90103.2 Ų103.242%0.42154%0.542SS..Hα-helixtrans-69.1-35.2-179.9-70175.8-141.900111.2L42 P43 D49 I50L42-E46 HydrophobicContact CB-CB 4.29Å; P43-E46 HydrophobicContact CG-CB 4.16Å; P43-E46 HydrophobicContact CG-CG 3.8Å; P43-E46 WeakPolarHBondContact CG-OE1 2.96Å; P43-E46 PolarHBondContact O-N 3.01Å; E46-D49 PolarHBondContact O-N 3.29Å; E46-I50 WeakPolarHBondContact O-CB 3.41Å; E46-I50 WeakPolarHBondContact O-CD1 3.3Å; E46-I50 VanDerWaalsContact O-CG1 3.23Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; E46-I50 PolarHBondContact O-N 2.9Å
47I92.4Very high85Confident89 Ų89102.1 Ų102.146%0.45653%0.53SS..Hα-helixtrans-62.4-43.3172.3-60.2176.2000110.7L42 P43 H44 S45 F51L42-I47 HydrophobicContact CB-CD1 4.5Å; L42-I47 HydrophobicContact CB-CG1 3.94Å; L42-I47 WeakPolarHBondContact O-CD1 3.27Å; P43-I47 PolarHBondContact O-N 2.77Å; H44-I47 PolarHBondContact O-N 3.45Å; S45-I47 VanDerWaalsContact C-N 3.33Å; S45-I47 PolarHBondContact O-N 3.44Å; I47-F51 VanDerWaalsContact O-CB 3.27Å; I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 2.92Å
48L90.5Very high86.5Confident68 Ų6899 Ų9936%0.35652%0.519SS..Hα-helixtrans-64.5-45.7175.9-73.1178.1000111.7H44 S45 I50 F51 E52H44-L48 WeakPolarHBondContact O-CG 3.43Å; H44-L48 PolarHBondContact O-N 2.89Å; S45-L48 PolarHBondContact O-N 3.39Å; L48-I50 PolarHBondContact O-N 2.9Å; L48-F51 PolarHBondContact O-N 2.85Å; L48-F51 VanDerWaalsContact O-N 3.13Å; L48-E52 WeakPolarHBondContact O-CB 3.22Å; L48-E52 WeakPolarHBondContact O-CG 3.35Å; L48-E52 PolarHBondContact O-N 3.16Å
49D90.7Very high87.4Confident100 Ų10093.4 Ų93.454%0.53549%0.489SS..Hα-helixtrans-58.7-46.8178.9-68.7-26.2000111.2S45 E46 F51 E52 E53S45-D49 VanDerWaalsContact O-CG 3.27Å; S45-D49 PolarHBondContact O-N 3.34Å; E46-D49 PolarHBondContact O-N 3.29Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 2.67Å; D49-E52 PolarHBondContact O-N 2.75Å; D49-E53 WeakPolarHBondContact O-CB 3.49Å; D49-E53 PolarHBondContact O-N 2.92Å
50I93.2Very high88.5Confident107 Ų10791 Ų9155%0.54948%0.478SS..Hα-helixtrans-61.6-40.4175.8-67.1164.5000111.3L42 E46 L48 G54L42-I50 HydrophobicContact CD1-CD1 3.77Å; E46-I50 WeakPolarHBondContact O-CB 3.41Å; E46-I50 WeakPolarHBondContact O-CD1 3.3Å; E46-I50 VanDerWaalsContact O-CG1 3.23Å; E46-I50 WeakPolarHBondContact O-CG1 3.45Å; E46-I50 PolarHBondContact O-N 2.9Å; L48-I50 PolarHBondContact O-N 2.9Å; I50-G54 PolarHBondContact O-N 2.83Å
51F90.9Very high89.5Confident124 Ų12486.8 Ų86.854%0.54446%0.456SS..Hα-helixtrans-71.1-43.5-179.8-178.8-104.4000112.6I47 L48 D49 G54 L55I47-F51 VanDerWaalsContact O-CB 3.27Å; I47-F51 WeakPolarHBondContact O-CB 3.31Å; I47-F51 PolarHBondContact O-N 2.92Å; L48-F51 PolarHBondContact O-N 2.85Å; L48-F51 VanDerWaalsContact O-N 3.13Å; D49-F51 VanDerWaalsContact C-N 3.33Å; D49-F51 PolarHBondContact O-N 2.67Å; F51-G54 PolarHBondContact O-N 3.05Å; F51-G54 VanDerWaalsContact O-N 3.16Å; F51-L55 HydrophobicContact CD1-CD1 3.99Å; F51-L55 HydrophobicContact CD1-CG 4.42Å; F51-L55 HydrophobicContact CE1-CD1 3.4Å; F51-L55 HydrophobicContact CE1-CG 4.03Å; F51-L55 HydrophobicContact CE2-CG 4.47Å; F51-L55 HydrophobicContact CZ-CD1 3.77Å; F51-L55 HydrophobicContact CZ-CD2 4.28Å; F51-L55 HydrophobicContact CZ-CG 4.05Å; F51-L55 PolarHBondContact O-N 2.88Å
52E90.3Very high89.9Confident105 Ų10588.9 Ų88.949%0.49146%0.463SS..Hα-helixtrans-63.1-41.5174.9-73.6-167.2-166.800111.2L48 D49 G54 L55 A56L48-E52 WeakPolarHBondContact O-CB 3.22Å; L48-E52 WeakPolarHBondContact O-CG 3.35Å; L48-E52 PolarHBondContact O-N 3.16Å; D49-E52 PolarHBondContact O-N 2.75Å; E52-G54 VanDerWaalsContact C-N 3.33Å; E52-G54 PolarHBondContact O-N 3.32Å; E52-L55 PolarHBondContact O-N 2.92Å; E52-A56 VanDerWaalsContact O-CB 3.23Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.02Å
53E90.8Very high90.2Very high109 Ų10991.9 Ų91.951%0.50948%0.479SS..Hα-helixtrans-58.9-41.4170.3-92.9-154.9-151.400112.9D49 R57D49-E53 WeakPolarHBondContact O-CB 3.49Å; D49-E53 PolarHBondContact O-N 2.92Å; E53-R57 WeakPolarHBondContact O-CG 3.41Å; E53-R57 PolarHBondContact O-N 3.1Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 IonicContact OE2-CZ 3.66Å; E53-R57 VanDerWaalsContact OE2-CZ 3.29Å; E53-R57 IonicContact OE2-NH1 2.65Å; E53-R57 PolarHBondContact OE2-NH1 2.78Å; E53-R57 IonicContact OE2-NH2 2.69Å; E53-R57 PolarHBondContact OE2-NH2 2.97Å
54G91.9Very high90Very high38 Ų3891.6 Ų91.639%0.39247%0.474SS..Hα-helixtrans-63.5-48.2176.800000112.3I50 F51 E52 R57 L58I50-G54 PolarHBondContact O-N 2.83Å; F51-G54 PolarHBondContact O-N 3.05Å; F51-G54 VanDerWaalsContact O-N 3.16Å; E52-G54 VanDerWaalsContact C-N 3.33Å; E52-G54 PolarHBondContact O-N 3.32Å; G54-R57 PolarHBondContact O-N 3.19Å; G54-L58 PolarHBondContact O-N 2.82Å; G54-L58 VanDerWaalsContact O-N 3.07Å
55L90.1Very high89.7Confident50 Ų5089.5 Ų89.526%0.26247%0.473SS..Hα-helixtrans-62.3-43.8175.2-73-178000112.1F51 E52 R57 L58 V59F51-L55 HydrophobicContact CD1-CD1 3.99Å; F51-L55 HydrophobicContact CD1-CG 4.42Å; F51-L55 HydrophobicContact CE1-CD1 3.4Å; F51-L55 HydrophobicContact CE1-CG 4.03Å; F51-L55 HydrophobicContact CE2-CG 4.47Å; F51-L55 HydrophobicContact CZ-CD1 3.77Å; F51-L55 HydrophobicContact CZ-CD2 4.28Å; F51-L55 HydrophobicContact CZ-CG 4.05Å; F51-L55 PolarHBondContact O-N 2.88Å; E52-L55 PolarHBondContact O-N 2.92Å; L55-R57 PolarHBondContact O-N 3.38Å; L55-L58 PolarHBondContact O-N 2.79Å; L55-V59 WeakPolarHBondContact O-CG2 3.25Å; L55-V59 PolarHBondContact O-N 2.94Å
56A87.7Confident89.4Confident28 Ų2891.2 Ų91.223%0.23148%0.477CS..Hα-helixtrans-63.1-29.7179.500000112.8E52 Q60 I69E52-A56 VanDerWaalsContact O-CB 3.23Å; E52-A56 WeakPolarHBondContact O-CB 3.4Å; E52-A56 PolarHBondContact O-N 3.02Å; A56-Q60 WeakPolarHBondContact O-CG 3.46Å; A56-Q60 PolarHBondContact O-NE2 3.01Å; A56-I69 HydrophobicContact CB-CG2 4.08Å
57R89.8Confident89.2Confident157 Ų15788.2 Ų88.259%0.59246%0.464SS*.Hα-helixtrans-73.8-40.8169.6-72.1-179.2-176.795.62.1112.1E53 G54 L55 Q60E53-R57 WeakPolarHBondContact O-CG 3.41Å; E53-R57 PolarHBondContact O-N 3.1Å; E53-R57 VanDerWaalsContact O-N 3.14Å; E53-R57 IonicContact OE2-CZ 3.66Å; E53-R57 VanDerWaalsContact OE2-CZ 3.29Å; E53-R57 IonicContact OE2-NH1 2.65Å; E53-R57 PolarHBondContact OE2-NH1 2.78Å; E53-R57 IonicContact OE2-NH2 2.69Å; E53-R57 PolarHBondContact OE2-NH2 2.97Å; G54-R57 PolarHBondContact O-N 3.19Å; L55-R57 PolarHBondContact O-N 3.38Å; R57-Q60 WeakPolarHBondContact O-CB 3.31Å; R57-Q60 PolarHBondContact O-N 3.39Å
58L89.6Confident88.9Confident104 Ų10485.8 Ų85.855%0.54545%0.454SS..Hα-helixtrans-64.4-43.3-179.6-168.873000112.3G54 L55 Q60 D61 L64G54-L58 PolarHBondContact O-N 2.82Å; G54-L58 VanDerWaalsContact O-N 3.07Å; L55-L58 PolarHBondContact O-N 2.79Å; L58-Q60 PolarHBondContact O-N 2.95Å; L58-Q60 VanDerWaalsContact O-N 3.14Å; L58-D61 WeakPolarHBondContact O-CB 3.43Å; L58-D61 PolarHBondContact O-N 3.45Å; L58-D61 VanDerWaalsContact O-N 3.08Å; L58-L64 HydrophobicContact CD2-CD1 4.43Å; L58-L64 HydrophobicContact CG-CD1 3.98Å
59V87.8Confident88.6Confident16 Ų1688.5 Ų88.510%0.09747%0.467CS..THydrogen-bonded Turntrans-66.9-12.2-179.7175.90000113L55 D61 L67 V71L55-V59 WeakPolarHBondContact O-CG2 3.25Å; L55-V59 PolarHBondContact O-N 2.94Å; V59-D61 VanDerWaalsContact C-N 3.28Å; V59-D61 PolarHBondContact O-N 2.88Å; V59-L67 HydrophobicContact CG1-CB 4.31Å; V59-L67 WeakPolarHBondContact CG1-O 3.41Å; V59-V71 HydrophobicContact CG2-CG1 4.29Å
60Q85.3Confident88.3Confident150 Ų15088.8 Ų88.870%0.70147%0.466SS*.THydrogen-bonded Turntrans-78.1-8.5172.6-67.8168.439.500113.7A56 R57 L58A56-Q60 WeakPolarHBondContact O-CG 3.46Å; A56-Q60 PolarHBondContact O-NE2 3.01Å; R57-Q60 WeakPolarHBondContact O-CB 3.31Å; R57-Q60 PolarHBondContact O-N 3.39Å; L58-Q60 PolarHBondContact O-N 2.95Å; L58-Q60 VanDerWaalsContact O-N 3.14Å
61D90.7Very high88Confident70 Ų7085.2 Ų85.237%0.37445%0.448SS..SBendtrans-59.9131.6173.1-168-51.3000110.1L58 V59 L63 L64 C65L58-D61 WeakPolarHBondContact O-CB 3.43Å; L58-D61 PolarHBondContact O-N 3.45Å; L58-D61 VanDerWaalsContact O-N 3.08Å; V59-D61 VanDerWaalsContact C-N 3.28Å; V59-D61 PolarHBondContact O-N 2.88Å; D61-L63 PolarHBondContact O-N 2.79Å; D61-L63 WeakPolarHBondContact OD1-CB 3.38Å; D61-L63 WeakPolarHBondContact OD1-CG 3.36Å; D61-L63 PolarHBondContact OD1-N 3.4Å; D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.44Å; D61-L64 HydrophobicContact CB-CG 4.41Å; D61-L64 PolarHBondContact O-N 2.84Å; D61-C65 PolarHBondContact O-N 2.94Å
62P89.3Confident87.9Confident112 Ų11281 Ų8173%0.72743%0.433SS*.THydrogen-bonded Turntrans-52.6-23.3174.8-28.335.9000115.2L64 C65P62-L64 VanDerWaalsContact C-N 3.32Å; P62-C65 PolarHBondContact O-SG 3.48Å
63L88.9Confident88Confident146 Ų14682.4 Ų82.476%0.76444%0.443SS*.THydrogen-bonded Turntrans-79.4-10.5176-59.7177.8000113.9D61D61-L63 PolarHBondContact O-N 2.79Å; D61-L63 WeakPolarHBondContact OD1-CB 3.38Å; D61-L63 WeakPolarHBondContact OD1-CG 3.36Å; D61-L63 PolarHBondContact OD1-N 3.4Å
64L87.9Confident88Confident57 Ų5781.5 Ų81.530%0.29844%0.439SS..SBendtrans-121.712-176-61.3-179.8000113.2L58 D61 P62 D66 L67L58-L64 HydrophobicContact CD2-CD1 4.43Å; L58-L64 HydrophobicContact CG-CD1 3.98Å; D61-L64 HydrophobicContact CB-CB 4.49Å; D61-L64 HydrophobicContact CB-CD1 4.44Å; D61-L64 HydrophobicContact CB-CG 4.41Å; D61-L64 PolarHBondContact O-N 2.84Å; P62-L64 VanDerWaalsContact C-N 3.32Å; L64-D66 PolarHBondContact O-N 2.94Å; L64-L67 HydrophobicContact CB-CD1 4.47Å; L64-L67 HydrophobicContact CD2-CD1 4.14Å; L64-L67 PolarHBondContact O-N 2.95Å
65C82.6Confident87.9Confident91 Ų9181.3 Ų81.362%0.61543%0.428SS*.THydrogen-bonded Turntrans-63-12.2-176.362.80000115.1D61 P62 L67D61-C65 PolarHBondContact O-N 2.94Å; P62-C65 PolarHBondContact O-SG 3.48Å; C65-L67 VanDerWaalsContact C-N 3.31Å
66D86.1Confident88Confident104 Ų10481.1 Ų81.156%0.55643%0.429SS*.THydrogen-bonded Turntrans-83.2-6.5176.1-50.2-56.3000113.2L64 Q79L64-D66 PolarHBondContact O-N 2.94Å; D66-Q79 PolarHBondContact O-NE2 3.49Å
67L87.4Confident88.2Confident28 Ų2884 Ų8415%0.14744%0.44CS..SBendtrans-98.4142.3178.4-65.6171000111.5V59 L64 C65 V71 V76 Q79V59-L67 HydrophobicContact CG1-CB 4.31Å; V59-L67 WeakPolarHBondContact CG1-O 3.41Å; L64-L67 HydrophobicContact CB-CD1 4.47Å; L64-L67 HydrophobicContact CD2-CD1 4.14Å; L64-L67 PolarHBondContact O-N 2.95Å; C65-L67 VanDerWaalsContact C-N 3.31Å; L67-V71 HydrophobicContact CB-CG2 4.17Å; L67-V71 HydrophobicContact CD1-CG2 4.29Å; L67-V71 HydrophobicContact CD2-CG2 3.89Å; L67-V71 HydrophobicContact CG-CG2 4.34Å; L67-V76 HydrophobicContact CD1-CG2 4.31Å; L67-V76 HydrophobicContact CD2-CG2 4.29Å; L67-Q79 HydrophobicContact CD2-CB 4.35Å; L67-Q79 HydrophobicContact CD2-CG 3.58Å; L67-Q79 HydrophobicContact CG-CG 4.43Å
68P85.1Confident88.3Confident37 Ų3778.1 Ų78.124%0.2442%0.423CS..  trans-72.8151.5173.430.4-32.6000110.9Q70 V71P68-Q70 VanDerWaalsContact C-N 3.33Å; P68-Q70 PolarHBondContact O-N 2.83Å; P68-V71 WeakPolarHBondContact O-CA 3.41Å; P68-V71 WeakPolarHBondContact O-CB 3.38Å; P68-V71 PolarHBondContact O-N 3.22Å; P68-V71 VanDerWaalsContact O-N 3.13Å
69I84.2Confident88.4Confident125 Ų12576 Ų7664%0.64141%0.41SS*.SBendtrans-53.1-48.5-178.1-60.5167.7000111.8A56 V71A56-I69 HydrophobicContact CB-CG2 4.08Å; I69-V71 VanDerWaalsContact C-N 3.29Å; I69-V71 PolarHBondContact O-N 3.16Å; I69-V71 VanDerWaalsContact O-N 3.15Å
70Q84.2Confident88.7Confident107 Ų10779 Ų7950%0.543%0.425SS..SBendtrans-86.868.5171.7-71.3179-29.100109.8P68 R127P68-Q70 VanDerWaalsContact C-N 3.33Å; P68-Q70 PolarHBondContact O-N 2.83Å; Q70-R127 PolarHBondContact O-NE 2.88Å; Q70-R127 PolarHBondContact O-NH2 2.81Å
71V87.7Confident89.1Confident31 Ų3172.7 Ų72.719%0.18840%0.399CS..  trans-69.7139.8-175.3670000112.5V59 L67 P68 I69 V76V59-V71 HydrophobicContact CG2-CG1 4.29Å; L67-V71 HydrophobicContact CB-CG2 4.17Å; L67-V71 HydrophobicContact CD1-CG2 4.29Å; L67-V71 HydrophobicContact CD2-CG2 3.89Å; L67-V71 HydrophobicContact CG-CG2 4.34Å; P68-V71 WeakPolarHBondContact O-CA 3.41Å; P68-V71 WeakPolarHBondContact O-CB 3.38Å; P68-V71 PolarHBondContact O-N 3.22Å; P68-V71 VanDerWaalsContact O-N 3.13Å; I69-V71 VanDerWaalsContact C-N 3.29Å; I69-V71 PolarHBondContact O-N 3.16Å; I69-V71 VanDerWaalsContact O-N 3.15Å; V71-V76 HydrophobicContact CG2-CG2 3.53Å
72T89.6Confident89.1Confident35 Ų3571.2 Ų71.222%0.21539%0.39CS..  trans-107.4153.3169.866.40000112E74 E75 V76 L123T72-E74 PolarHBondContact O-N 2.87Å; T72-E74 VanDerWaalsContact O-N 3.16Å; T72-E75 WeakPolarHBondContact CB-OE2 3.33Å; T72-E75 PolarHBondContact N-OE2 3.48Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-E75 WeakPolarHBondContact OG1-CG 3.5Å; T72-E75 PolarHBondContact OG1-N 2.64Å; T72-E75 PolarHBondContact OG1-OE2 3.16Å; T72-V76 PolarHBondContact O-N 3.46Å; T72-V76 VanDerWaalsContact O-N 3.1Å; T72-L123 HydrophobicContact CG2-CD2 3.77Å
73L91.1Very high89.2Confident135 Ų13573.5 Ų73.571%0.70739%0.391SS*.Hα-helixtrans-54.5-34.4176.1-175.373.3000112.5V76 N77L73-V76 PolarHBondContact O-N 3.17Å; L73-N77 WeakPolarHBondContact O-CB 3.05Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 3.02Å; L73-N77 PolarHBondContact O-ND2 3.31Å; L73-N77 VanDerWaalsContact O-ND2 3.14Å
74E90.5Very high89.4Confident91 Ų9175 Ų7543%0.42539%0.388SS..Hα-helixtrans-63.7-39.4176.6-173.8177.4-173.200112.2T72 S78 R119T72-E74 PolarHBondContact O-N 2.87Å; T72-E74 VanDerWaalsContact O-N 3.16Å; E74-S78 WeakPolarHBondContact O-CB 3.41Å; E74-S78 PolarHBondContact O-N 3Å; E74-S78 PolarHBondContact O-OG 2.86Å; E74-R119 IonicContact OE2-CZ 3.71Å; E74-R119 IonicContact OE2-NE 3.25Å; E74-R119 PolarHBondContact OE2-NE 3.34Å; E74-R119 IonicContact OE2-NH2 2.72Å; E74-R119 PolarHBondContact OE2-NH2 3.4Å
75E90.7Very high89.6Confident33 Ų3373.8 Ų73.815%0.15439%0.39CS..Hα-helixtrans-73.6-39.1177.3-70.5160.2133.600111.8T72 S78 Q79 L123 R127T72-E75 WeakPolarHBondContact CB-OE2 3.33Å; T72-E75 PolarHBondContact N-OE2 3.48Å; T72-E75 PolarHBondContact O-N 3.47Å; T72-E75 WeakPolarHBondContact OG1-CG 3.5Å; T72-E75 PolarHBondContact OG1-N 2.64Å; T72-E75 PolarHBondContact OG1-OE2 3.16Å; E75-S78 WeakPolarHBondContact O-CB 3.37Å; E75-S78 PolarHBondContact O-N 3.4Å; E75-S78 VanDerWaalsContact O-N 3.12Å; E75-Q79 PolarHBondContact O-N 2.92Å; E75-L123 HydrophobicContact CG-CD1 4.44Å; E75-R127 IonicContact OE1-CZ 2.82Å; E75-R127 VanDerWaalsContact OE1-CZ 3.25Å; E75-R127 IonicContact OE1-NH1 2.85Å; E75-R127 PolarHBondContact OE1-NH1 2.99Å; E75-R127 IonicContact OE1-NH2 3.29Å; E75-R127 PolarHBondContact OE1-NH2 3.22Å; E75-R127 IonicContact OE2-CZ 2.87Å; E75-R127 IonicContact OE2-NH2 2.72Å; E75-R127 PolarHBondContact OE2-NH2 3.41Å
76V92.2Very high90.1Very high47 Ų4775.3 Ų75.329%0.28539%0.388SS..Hα-helixtrans-58.2-50.1172179.10000110.3L67 V71 T72 L73 S78 Q79 I80L67-V76 HydrophobicContact CD1-CG2 4.31Å; L67-V76 HydrophobicContact CD2-CG2 4.29Å; V71-V76 HydrophobicContact CG2-CG2 3.53Å; T72-V76 PolarHBondContact O-N 3.46Å; T72-V76 VanDerWaalsContact O-N 3.1Å; L73-V76 PolarHBondContact O-N 3.17Å; V76-S78 VanDerWaalsContact C-N 3.25Å; V76-S78 PolarHBondContact O-N 2.97Å; V76-Q79 PolarHBondContact O-N 2.89Å; V76-I80 HydrophobicContact CG1-CD1 3.78Å; V76-I80 HydrophobicContact CG1-CG1 4.49Å; V76-I80 WeakPolarHBondContact O-CB 3.28Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.23Å; V76-I80 PolarHBondContact O-N 3.29Å
77N92.6Very high90.6Very high88 Ų8870.8 Ų70.847%0.47137%0.365SS..Hα-helixtrans-61.4-34175.8-73.5-32.1000112.4L73 A81L73-N77 WeakPolarHBondContact O-CB 3.05Å; L73-N77 VanDerWaalsContact O-CG 3.28Å; L73-N77 PolarHBondContact O-N 3.02Å; L73-N77 PolarHBondContact O-ND2 3.31Å; L73-N77 VanDerWaalsContact O-ND2 3.14Å; N77-A81 VanDerWaalsContact O-CB 3.24Å; N77-A81 WeakPolarHBondContact O-CB 3.45Å; N77-A81 PolarHBondContact O-N 3.37Å
78S91.5Very high91Very high34 Ų3469.8 Ų69.824%0.23836%0.36CS..Hα-helixtrans-68.7-42.1177-63.50000112.6E74 E75 V76 A81 L82E74-S78 WeakPolarHBondContact O-CB 3.41Å; E74-S78 PolarHBondContact O-N 3Å; E74-S78 PolarHBondContact O-OG 2.86Å; E75-S78 WeakPolarHBondContact O-CB 3.37Å; E75-S78 PolarHBondContact O-N 3.4Å; E75-S78 VanDerWaalsContact O-N 3.12Å; V76-S78 VanDerWaalsContact C-N 3.25Å; V76-S78 PolarHBondContact O-N 2.97Å; S78-A81 PolarHBondContact O-N 2.61Å; S78-L82 WeakPolarHBondContact O-CG 3.25Å; S78-L82 PolarHBondContact O-N 2.82Å
79Q91.8Very high91.5Very high59 Ų5969.6 Ų69.628%0.27636%0.357SS..Hα-helixtrans-67.8-44.3175-63.2-59.713.400111.3D66 L67 E75 V76 A81 L82 E83D66-Q79 PolarHBondContact O-NE2 3.49Å; L67-Q79 HydrophobicContact CD2-CB 4.35Å; L67-Q79 HydrophobicContact CD2-CG 3.58Å; L67-Q79 HydrophobicContact CG-CG 4.43Å; E75-Q79 PolarHBondContact O-N 2.92Å; V76-Q79 PolarHBondContact O-N 2.89Å; Q79-A81 VanDerWaalsContact C-N 3.27Å; Q79-A81 PolarHBondContact O-N 3.29Å; Q79-L82 WeakPolarHBondContact O-CB 3.45Å; Q79-L82 PolarHBondContact O-N 2.99Å; Q79-E83 PolarHBondContact O-N 3.17Å
80I93.3Very high92.1Very high80 Ų8063.6 Ų63.641%0.4133%0.327SS..Hα-helixtrans-55.6-44.1173.5-69.5170.5000110.9V76 L82 E83 Y84V76-I80 HydrophobicContact CG1-CD1 3.78Å; V76-I80 HydrophobicContact CG1-CG1 4.49Å; V76-I80 WeakPolarHBondContact O-CB 3.28Å; V76-I80 VanDerWaalsContact O-CG1 3.27Å; V76-I80 WeakPolarHBondContact O-CG1 3.23Å; V76-I80 PolarHBondContact O-N 3.29Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.38Å; I80-E83 PolarHBondContact O-N 3.08Å; I80-Y84 HydrophobicContact CG2-CD2 3.64Å; I80-Y84 HydrophobicContact CG2-CE2 3.59Å; I80-Y84 WeakPolarHBondContact O-CD2 3.4Å; I80-Y84 PolarHBondContact O-N 2.93Å
81A92.9Very high92.7Very high17 Ų1761.8 Ų61.814%0.1432%0.317CS..Hα-helixtrans-68.3-28.9177.300000113.3N77 S78 Q79 G85 Q86 A87N77-A81 VanDerWaalsContact O-CB 3.24Å; N77-A81 WeakPolarHBondContact O-CB 3.45Å; N77-A81 PolarHBondContact O-N 3.37Å; S78-A81 PolarHBondContact O-N 2.61Å; Q79-A81 VanDerWaalsContact C-N 3.27Å; Q79-A81 PolarHBondContact O-N 3.29Å; A81-G85 CarbonylContact O-C 3.55Å; A81-G85 PolarHBondContact O-N 2.95Å; A81-Q86 HydrophobicContact CB-CB 4.31Å; A81-Q86 CarbonylContact O-C 3.58Å; A81-Q86 WeakPolarHBondContact O-CA 3.47Å; A81-Q86 PolarHBondContact O-N 2.9Å; A81-A87 HydrophobicContact CB-CB 3.75Å; A81-A87 PolarHBondContact O-N 2.87Å
82L92.1Very high93.1Very high38 Ų3860.3 Ų60.320%0.19931%0.308CS..Hα-helixtrans-70-44.8172.7-78.5169.3000111.6S78 Q79 I80 G85 A87 V103S78-L82 WeakPolarHBondContact O-CG 3.25Å; S78-L82 PolarHBondContact O-N 2.82Å; Q79-L82 WeakPolarHBondContact O-CB 3.45Å; Q79-L82 PolarHBondContact O-N 2.99Å; I80-L82 VanDerWaalsContact C-N 3.33Å; I80-L82 PolarHBondContact O-N 3.38Å; L82-G85 WeakPolarHBondContact O-CA 3.41Å; L82-G85 PolarHBondContact O-N 3.45Å; L82-A87 HydrophobicContact CD2-CB 3.97Å; L82-A87 HydrophobicContact CG-CB 4.04Å; L82-V103 HydrophobicContact CD1-CB 4.48Å; L82-V103 HydrophobicContact CD1-CG1 3.83Å; L82-V103 HydrophobicContact CD1-CG2 3.75Å; L82-V103 HydrophobicContact CD2-CG1 4.12Å; L82-V103 HydrophobicContact CG-CG1 3.83Å
83E91.5Very high93.3Very high160 Ų16060.6 Ų60.675%0.74831%0.308SS*.Hα-helixtrans-63.4-42178.1-71.6-54.3122.200112.6Q79 I80 G85Q79-E83 PolarHBondContact O-N 3.17Å; I80-E83 PolarHBondContact O-N 3.08Å; E83-G85 PolarHBondContact O-N 3.45Å
84Y93.4Very high93.3Very high177 Ų17757.3 Ų57.369%0.69429%0.288SS*.THydrogen-bonded Turntrans-742171.1-69.8-58.9000113.9I80 Q86I80-Y84 HydrophobicContact CG2-CD2 3.64Å; I80-Y84 HydrophobicContact CG2-CE2 3.59Å; I80-Y84 WeakPolarHBondContact O-CD2 3.4Å; I80-Y84 PolarHBondContact O-N 2.93Å; Y84-Q86 PolarHBondContact O-N 2.85Å; Y84-Q86 VanDerWaalsContact O-N 3.16Å
85G91.3Very high92.8Very high33 Ų3357 Ų5734%0.3430%0.301SS..THydrogen-bonded Turntrans63.915.7-178.200000114.3A81 L82 E83 Q106A81-G85 CarbonylContact O-C 3.55Å; A81-G85 PolarHBondContact O-N 2.95Å; L82-G85 WeakPolarHBondContact O-CA 3.41Å; L82-G85 PolarHBondContact O-N 3.45Å; E83-G85 PolarHBondContact O-N 3.45Å; G85-Q106 PolarHBondContact O-NE2 3.12Å
86Q94Very high92.4Very high123 Ų12360.4 Ų60.458%0.57532%0.321SS*.SBendtrans-81.6-20.8178.8-64.7-179.8-28.500112.8A81 Y84 Q106A81-Q86 HydrophobicContact CB-CB 4.31Å; A81-Q86 CarbonylContact O-C 3.58Å; A81-Q86 WeakPolarHBondContact O-CA 3.47Å; A81-Q86 PolarHBondContact O-N 2.9Å; Y84-Q86 PolarHBondContact O-N 2.85Å; Y84-Q86 VanDerWaalsContact O-N 3.16Å; Q86-Q106 WeakPolarHBondContact O-CB 3.23Å; Q86-Q106 WeakPolarHBondContact O-CG 3.45Å; Q86-Q106 PolarHBondContact O-N 3.36Å
87A95.5Very high92Very high8 Ų860.7 Ų60.77%0.06633%0.333CS..EExtended strand (participates in β ladder)trans-109.4169.4172.900000112.2A81 L82 V103 V104A81-A87 HydrophobicContact CB-CB 3.75Å; A81-A87 PolarHBondContact O-N 2.87Å; L82-A87 HydrophobicContact CD2-CB 3.97Å; L82-A87 HydrophobicContact CG-CB 4.04Å; A87-V103 HydrophobicContact CB-CG1 3.82Å; A87-V104 CarbonylContact C-O 3.6Å; A87-V104 VanDerWaalsContact CA-O 3.25Å; A87-V104 WeakPolarHBondContact CA-O 3.24Å; A87-V104 WeakPolarHBondContact CB-O 3.49Å
88M95.3Very high92Very high8 Ų859.3 Ų59.34%0.03932%0.324CS..EExtended strand (participates in β ladder)trans-142.4149.3172.664.1-179.1-173.700110.3V90 V104 L159 N166M88-V90 HydrophobicContact CE-CG2 4.3Å; M88-V104 HydrophobicContact CE-CG2 3.97Å; M88-V104 HydrophobicContact CG-CG2 3.88Å; M88-V104 PolarHBondContact N-O 2.84Å; M88-V104 PolarHBondContact O-N 3.2Å; M88-L159 HydrophobicContact CE-CB 3.83Å; M88-L159 HydrophobicContact CE-CD1 3.79Å; M88-L159 HydrophobicContact CE-CG 4.48Å; M88-N166 HydrophobicContact CB-CB 3.87Å
89T96Very high92.1Very high32 Ų3261.8 Ų61.820%0.19633%0.334CS..EExtended strand (participates in β ladder)trans-94.2120.5176.2-44.60000109.5P101 I102 N166 R167T89-P101 HydrophobicContact CG2-CB 3.81Å; T89-I102 CarbonylContact C-O 3.55Å; T89-I102 WeakPolarHBondContact CA-O 3.15Å; T89-N166 PolarHBondContact N-OD1 2.98Å; T89-N166 PolarHBondContact O-OD1 3.49Å; T89-R167 VanDerWaalsContact O-CA 3.31Å; T89-R167 WeakPolarHBondContact O-CA 3.41Å; T89-R167 PolarHBondContact O-N 3.46Å
90V96.6Very high92.2Very high0 Ų059.2 Ų59.20%032%0.321CS..EExtended strand (participates in β ladder)trans-101.5125170.8179.50000108.2M88 V92 I102 V104 L113 L159 I164 V170M88-V90 HydrophobicContact CE-CG2 4.3Å; V90-V92 HydrophobicContact CG1-CG2 4.24Å; V90-V92 PolarHBondContact O-N 3.34Å; V90-I102 PolarHBondContact N-O 2.86Å; V90-I102 PolarHBondContact O-N 3.38Å; V90-V104 HydrophobicContact CG2-CG2 3.89Å; V90-L113 HydrophobicContact CB-CD1 4.17Å; V90-L113 HydrophobicContact CG1-CD1 4.24Å; V90-L113 HydrophobicContact CG1-CD2 4.45Å; V90-L159 HydrophobicContact CG2-CD1 4.46Å; V90-I164 HydrophobicContact CG1-CG2 4.46Å; V90-I164 HydrophobicContact CG2-CG2 4.1Å; V90-V170 HydrophobicContact CG1-CB 4.19Å; V90-V170 HydrophobicContact CG1-CG2 3.58Å
91K96.9Very high92.2Very high68 Ų6858.7 Ų58.730%0.29632%0.323SS..EExtended strand (participates in β ladder)trans-83.5110177.2-70.5171.3178170.90109.2I99 D168 E169 V170K91-I99 HydrophobicContact CB-CG2 3.87Å; K91-I99 HydrophobicContact CD-CG2 4.43Å; K91-I99 HydrophobicContact CG-CG2 4.07Å; K91-D168 PolarHBondContact N-O 2.99Å; K91-E169 HydrophobicContact CB-CG 3.71Å; K91-E169 HydrophobicContact CD-CG 3.53Å; K91-E169 WeakPolarHBondContact CD-OE1 3.45Å; K91-E169 HydrophobicContact CG-CG 4.35Å; K91-E169 IonicContact NZ-OE1 2.85Å; K91-E169 PolarHBondContact NZ-OE1 3Å; K91-E169 CarbonylContact O-C 3.48Å; K91-E169 WeakPolarHBondContact O-CA 3.48Å; K91-V170 PolarHBondContact O-N 2.89Å
92V96.4Very high92.4Very high0 Ų058 Ų580%032%0.317CS..EExtended strand (participates in β ladder)trans-96.8109.2179.1-175.70000109.6V90 K94 M100 I102 L113 I117 L145 V170 F172V90-V92 HydrophobicContact CG1-CG2 4.24Å; V90-V92 PolarHBondContact O-N 3.34Å; V92-K94 PolarHBondContact O-N 3.26Å; V92-M100 HydrophobicContact CB-CB 4.41Å; V92-M100 HydrophobicContact CB-CE 3.92Å; V92-M100 HydrophobicContact CG1-CE 3.61Å; V92-M100 PolarHBondContact N-O 3.13Å; V92-M100 PolarHBondContact O-N 3.41Å; V92-I102 HydrophobicContact CB-CG1 4.09Å; V92-I102 HydrophobicContact CG2-CB 4.26Å; V92-I102 HydrophobicContact CG2-CG1 3.59Å; V92-L113 HydrophobicContact CG2-CD1 4.31Å; V92-I117 HydrophobicContact CG1-CD1 4.02Å; V92-I117 HydrophobicContact CG1-CG1 4.38Å; V92-I117 HydrophobicContact CG2-CD1 3.99Å; V92-I117 HydrophobicContact CG2-CG1 4.06Å; V92-L145 HydrophobicContact CG1-CD2 4.29Å; V92-V170 CarbonylContact C-O 3.57Å; V92-V170 WeakPolarHBondContact CA-O 3.34Å; V92-F172 HydrophobicContact CG1-CD2 3.96Å; V92-F172 HydrophobicContact CG1-CE2 3.53Å; V92-F172 HydrophobicContact CG1-CZ 4.49Å
93L94.6Very high92.5Very high41 Ų4158.2 Ų58.222%0.21532%0.32CS..EExtended strand (participates in β ladder)trans-77.4112.8176.2-84.6156.9000110.4I99 E169 V170 T171 F172L93-I99 HydrophobicContact CD2-CD1 4.36Å; L93-I99 HydrophobicContact CD2-CG1 3.69Å; L93-I99 HydrophobicContact CG-CG1 4.38Å; L93-E169 HydrophobicContact CD1-CB 4.13Å; L93-E169 HydrophobicContact CD1-CG 4.43Å; L93-V170 PolarHBondContact N-O 3.15Å; L93-T171 HydrophobicContact CB-CG2 3.83Å; L93-T171 HydrophobicContact CD1-CG2 3.69Å; L93-T171 HydrophobicContact CG-CG2 4.42Å; L93-F172 PolarHBondContact O-N 2.91Å
94K89.8Confident92.7Very high66 Ų6651 Ų5129%0.28729%0.287SS..  trans-79.4159.2176.1-168.4172.3155.8-126.40110.6V92 D96 G97 E98 M100V92-K94 PolarHBondContact O-N 3.26Å; K94-D96 WeakPolarHBondContact CB-OD1 3.37Å; K94-D96 WeakPolarHBondContact CD-OD1 3.35Å; K94-D96 VanDerWaalsContact CE-OD2 3.29Å; K94-D96 WeakPolarHBondContact CE-OD2 3.42Å; K94-D96 WeakPolarHBondContact CG-OD1 3.35Å; K94-D96 IonicContact NZ-OD1 3.41Å; K94-D96 IonicContact NZ-OD2 2.61Å; K94-D96 PolarHBondContact NZ-OD2 2.91Å; K94-D96 PolarHBondContact O-N 3.33Å; K94-D96 VanDerWaalsContact O-N 3.13Å; K94-G97 PolarHBondContact O-N 3.12Å; K94-E98 HydrophobicContact CB-CB 4.21Å; K94-E98 WeakPolarHBondContact CB-O 3.47Å; K94-E98 HydrophobicContact CD-CB 4.24Å; K94-E98 PolarHBondContact N-O 3.48Å; K94-E98 IonicContact NZ-OE2 3.8Å; K94-E98 PolarHBondContact NZ-OE2 3.1Å; K94-M100 HydrophobicContact CB-CE 4.12Å; K94-M100 HydrophobicContact CD-SD 4.08Å
95A80.3Confident92.8Very high84 Ų8447.2 Ų47.269%0.69428%0.282SS*.THydrogen-bonded Turntrans-68-11.3-172.900000115.1
96D82.9Confident92.8Very high106 Ų10649.5 Ų49.557%0.56728%0.284SS*.THydrogen-bonded Turntrans-96.42.1173.453.83.4000113.4K94 E98K94-D96 WeakPolarHBondContact CB-OD1 3.37Å; K94-D96 WeakPolarHBondContact CD-OD1 3.35Å; K94-D96 VanDerWaalsContact CE-OD2 3.29Å; K94-D96 WeakPolarHBondContact CE-OD2 3.42Å; K94-D96 WeakPolarHBondContact CG-OD1 3.35Å; K94-D96 IonicContact NZ-OD1 3.41Å; K94-D96 IonicContact NZ-OD2 2.61Å; K94-D96 PolarHBondContact NZ-OD2 2.91Å; K94-D96 PolarHBondContact O-N 3.33Å; K94-D96 VanDerWaalsContact O-N 3.13Å; D96-E98 WeakPolarHBondContact OD1-CB 3.21Å; D96-E98 PolarHBondContact OD1-N 2.97Å
97G83.9Confident92.8Very high53 Ų5347.8 Ų47.855%0.54628%0.279SS..SBendtrans89.1-0.5-178.200000114.6K94K94-G97 PolarHBondContact O-N 3.12Å
98E91.1Very high92.7Very high59 Ų5947.7 Ų47.728%0.27628%0.278SS..  trans-68.1135.2173-168.7-172.3174.100110.8K94 D96 K124K94-E98 HydrophobicContact CB-CB 4.21Å; K94-E98 WeakPolarHBondContact CB-O 3.47Å; K94-E98 HydrophobicContact CD-CB 4.24Å; K94-E98 PolarHBondContact N-O 3.48Å; K94-E98 IonicContact NZ-OE2 3.8Å; K94-E98 PolarHBondContact NZ-OE2 3.1Å; D96-E98 WeakPolarHBondContact OD1-CB 3.21Å; D96-E98 PolarHBondContact OD1-N 2.97Å; E98-K124 IonicContact OE1-NZ 2.95Å; E98-K124 PolarHBondContact OE1-NZ 3.39Å; E98-K124 IonicContact OE2-NZ 3.53Å
99I93.9Very high92.8Very high86 Ų8648.6 Ų48.644%0.44128%0.284SS..EExtended strand (participates in β ladder)trans-99.3120.4175.2-56.7176.3000108.9K91 L93K91-I99 HydrophobicContact CB-CG2 3.87Å; K91-I99 HydrophobicContact CD-CG2 4.43Å; K91-I99 HydrophobicContact CG-CG2 4.07Å; L93-I99 HydrophobicContact CD2-CD1 4.36Å; L93-I99 HydrophobicContact CD2-CG1 3.69Å; L93-I99 HydrophobicContact CG-CG1 4.38Å
100M94.1Very high92.9Very high4 Ų447.1 Ų47.12%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-101.7113176.6-57.4175.4-62.700109.4V92 K94 I102 I117 F120 M121 F172V92-M100 HydrophobicContact CB-CB 4.41Å; V92-M100 HydrophobicContact CB-CE 3.92Å; V92-M100 HydrophobicContact CG1-CE 3.61Å; V92-M100 PolarHBondContact N-O 3.13Å; V92-M100 PolarHBondContact O-N 3.41Å; K94-M100 HydrophobicContact CB-CE 4.12Å; K94-M100 HydrophobicContact CD-SD 4.08Å; M100-I102 HydrophobicContact CB-CD1 3.95Å; M100-I102 HydrophobicContact CB-CG1 4.35Å; M100-I102 PolarHBondContact O-N 2.69Å; M100-I117 HydrophobicContact CE-CG2 4.48Å; M100-F120 HydrophobicContact CB-CD1 4.19Å; M100-F120 HydrophobicContact CB-CE1 3.79Å; M100-F120 HydrophobicContact CG-CD1 4.47Å; M100-F120 HydrophobicContact CG-CE1 3.99Å; M100-M121 HydrophobicContact CG-CE 4.11Å; M100-M121 HydrophobicContact SD-CE 3.46Å; M100-M121 WeakPolarHBondContact SD-CE 3.27Å; M100-M121 HydrophobicContact SD-CG 4.14Å; M100-M121 HydrophobicContact SD-SD 3.77Å; M100-F172 HydrophobicContact CE-CE2 3.98Å
101P94.4Very high92.9Very high69 Ų6950.3 Ų50.345%0.44829%0.291SS..EExtended strand (participates in β ladder)trans-77.997.7175.530.7-32.5000109.9T89T89-P101 HydrophobicContact CG2-CB 3.81Å
102I95.8Very high92.9Very high2 Ų249.9 Ų49.91%0.0129%0.292CS..EExtended strand (participates in β ladder)trans-94121.7-178.3-52.8-57.8000109.6T89 V90 V92 M100 V104 L113 A116 I117 F120T89-I102 CarbonylContact C-O 3.55Å; T89-I102 WeakPolarHBondContact CA-O 3.15Å; V90-I102 PolarHBondContact N-O 2.86Å; V90-I102 PolarHBondContact O-N 3.38Å; V92-I102 HydrophobicContact CB-CG1 4.09Å; V92-I102 HydrophobicContact CG2-CB 4.26Å; V92-I102 HydrophobicContact CG2-CG1 3.59Å; M100-I102 HydrophobicContact CB-CD1 3.95Å; M100-I102 HydrophobicContact CB-CG1 4.35Å; M100-I102 PolarHBondContact O-N 2.69Å; I102-V104 HydrophobicContact CG2-CG1 4.14Å; I102-L113 HydrophobicContact CB-CD1 4.37Å; I102-L113 HydrophobicContact CG2-CD1 4.03Å; I102-A116 HydrophobicContact CG2-CB 3.42Å; I102-A116 VanDerWaalsContact CG2-CB 3.42Å; I102-I117 HydrophobicContact CD1-CG1 4.25Å; I102-I117 HydrophobicContact CG1-CG1 3.89Å; I102-I117 HydrophobicContact CG2-CG1 4.46Å; I102-F120 HydrophobicContact CD1-CB 3.56Å; I102-F120 HydrophobicContact CD1-CD1 3.63Å; I102-F120 HydrophobicContact CD1-CD2 4.09Å; I102-F120 HydrophobicContact CD1-CE1 4.36Å; I102-F120 HydrophobicContact CD1-CG 3.48Å; I102-F120 VanDerWaalsContact CD1-CG 3.48Å
103V94.9Very high92.9Very high43 Ų4349.9 Ų49.926%0.26129%0.292SS..EExtended strand (participates in β ladder)trans-86.9130.6174.8-174.40000109.6L82 A87L82-V103 HydrophobicContact CD1-CB 4.48Å; L82-V103 HydrophobicContact CD1-CG1 3.83Å; L82-V103 HydrophobicContact CD1-CG2 3.75Å; L82-V103 HydrophobicContact CD2-CG1 4.12Å; L82-V103 HydrophobicContact CG-CG1 3.83Å; A87-V103 HydrophobicContact CB-CG1 3.82Å
104V95.8Very high92.9Very high10 Ų1049.3 Ų49.36%0.06129%0.288CS..EExtended strand (participates in β ladder)trans-139151.1177.6-670000110.6A87 M88 V90 I102 A108 L113 A116 L159A87-V104 CarbonylContact C-O 3.6Å; A87-V104 VanDerWaalsContact CA-O 3.25Å; A87-V104 WeakPolarHBondContact CA-O 3.24Å; A87-V104 WeakPolarHBondContact CB-O 3.49Å; M88-V104 HydrophobicContact CE-CG2 3.97Å; M88-V104 HydrophobicContact CG-CG2 3.88Å; M88-V104 PolarHBondContact N-O 2.84Å; M88-V104 PolarHBondContact O-N 3.2Å; V90-V104 HydrophobicContact CG2-CG2 3.89Å; I102-V104 HydrophobicContact CG2-CG1 4.14Å; V104-A108 HydrophobicContact CB-CB 3.91Å; V104-A108 HydrophobicContact CG2-CB 4.35Å; V104-L113 HydrophobicContact CG1-CD1 3.97Å; V104-A116 HydrophobicContact CG1-CB 3.93Å; V104-L159 HydrophobicContact CG2-CD1 3.78Å
105V94.8Very high93.2Very high96 Ų9651.6 Ų51.658%0.58230%0.298SS*.EExtended strand (participates in β ladder)trans-61.2145.8174.2-177.10000110.1N107 A108V105-N107 PolarHBondContact O-N 3.43Å; V105-A108 WeakPolarHBondContact O-CB 3.37Å; V105-A108 PolarHBondContact O-N 3.31Å
106Q92.3Very high93.9Very high81 Ų8148.6 Ų48.638%0.37927%0.273SS..THydrogen-bonded Turntrans-51.3-31.8-179-95.9-1503400114.7G85 Q86 K160G85-Q106 PolarHBondContact O-NE2 3.12Å; Q86-Q106 WeakPolarHBondContact O-CB 3.23Å; Q86-Q106 WeakPolarHBondContact O-CG 3.45Å; Q86-Q106 PolarHBondContact O-N 3.36Å; Q106-K160 VanDerWaalsContact O-CD 3.27Å; Q106-K160 WeakPolarHBondContact O-CD 2.88Å; Q106-K160 WeakPolarHBondContact O-CE 3.38Å; Q106-K160 PolarHBondContact O-NZ 3Å
107N92.8Very high94.5Very high88 Ų8843.5 Ų43.547%0.47125%0.246SC..THydrogen-bonded Turntrans-104.818.3-178.6-61.3-22.9000112.5V105 K160V105-N107 PolarHBondContact O-N 3.43Å; N107-K160 PolarHBondContact OD1-NZ 2.89Å
108A95.3Very high95Very high5 Ų542.3 Ų42.34%0.04123%0.229CC..  trans-58.7148.4179.500000112.8V104 V105 D112 R158 L159V104-A108 HydrophobicContact CB-CB 3.91Å; V104-A108 HydrophobicContact CG2-CB 4.35Å; V105-A108 WeakPolarHBondContact O-CB 3.37Å; V105-A108 PolarHBondContact O-N 3.31Å; A108-D112 HydrophobicContact CB-CB 4.06Å; A108-R158 WeakPolarHBondContact O-CA 3.15Å; A108-L159 HydrophobicContact CB-CD1 4.09Å; A108-L159 PolarHBondContact O-N 3.02Å
109T97.6Very high95Very high28 Ų2842.9 Ų42.917%0.17223%0.229CC..BIsolated β-bridgetrans-88.9169.2173.164.80000111.8L111 D112 L113 D155 T156 M157T109-L111 PolarHBondContact O-N 2.92Å; T109-L111 PolarHBondContact OG1-N 2.83Å; T109-D112 WeakPolarHBondContact CB-OD2 3.42Å; T109-D112 PolarHBondContact N-OD2 3.44Å; T109-D112 PolarHBondContact O-N 2.87Å; T109-D112 VanDerWaalsContact O-N 3.16Å; T109-D112 PolarHBondContact OG1-N 3.39Å; T109-D112 PolarHBondContact OG1-OD2 3.19Å; T109-L113 PolarHBondContact O-N 3.41Å; T109-L113 VanDerWaalsContact O-N 3.08Å; T109-D155 WeakPolarHBondContact CB-O 3.39Å; T109-D155 PolarHBondContact OG1-O 2.87Å; T109-T156 WeakPolarHBondContact CG2-O 3.36Å; T109-M157 WeakPolarHBondContact CA-O 3.24Å
110V96.9Very high94.9Very high0 Ų041.9 Ų41.90%022%0.221CC..Hα-helixtrans-57.4-36.5168.4172.70000111.7D112 L113 K114 L152 D154 M157 L159 Y162V110-D112 VanDerWaalsContact C-N 3.32Å; V110-D112 PolarHBondContact O-N 3.03Å; V110-L113 PolarHBondContact O-N 3.18Å; V110-K114 HydrophobicContact CG1-CD 4.19Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.25Å; V110-L152 HydrophobicContact CG1-CB 3.81Å; V110-L152 HydrophobicContact CG2-CB 3.86Å; V110-L152 HydrophobicContact CG2-CD2 4.06Å; V110-L152 HydrophobicContact CG2-CG 3.99Å; V110-D154 VanDerWaalsContact CB-O 3.23Å; V110-D154 WeakPolarHBondContact CB-O 3.44Å; V110-D154 VanDerWaalsContact CG2-O 3.28Å; V110-D154 WeakPolarHBondContact CG2-O 3.45Å; V110-M157 PolarHBondContact N-O 2.97Å; V110-M157 VanDerWaalsContact N-O 3.1Å; V110-L159 HydrophobicContact CG2-CD2 4.17Å; V110-Y162 HydrophobicContact CG2-CD2 3.98Å; V110-Y162 HydrophobicContact CG2-CE2 3.49Å; V110-Y162 VanDerWaalsContact CG2-CE2 3.49Å
111L96.9Very high94.8Very high68 Ų6842.6 Ų42.636%0.35623%0.225SC..Hα-helixtrans-61.9-41.2175.5-179.262.6000111.8T109 K114 K115 D155T109-L111 PolarHBondContact O-N 2.92Å; T109-L111 PolarHBondContact OG1-N 2.83Å; L111-K114 PolarHBondContact O-N 3.34Å; L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.24Å; L111-K115 PolarHBondContact O-N 3.46Å; L111-D155 HydrophobicContact CB-CB 4.01Å; L111-D155 VanDerWaalsContact CB-O 3.23Å; L111-D155 WeakPolarHBondContact CB-O 3.42Å; L111-D155 PolarHBondContact N-O 3.35Å; L111-D155 VanDerWaalsContact N-O 3.17Å
112D96.3Very high94.5Very high59 Ų5943.7 Ų43.732%0.31622%0.224SC..Hα-helixtrans-69.6-37.6179.6-55.3-43.9000111.4A108 T109 V110 K114 K115 A116A108-D112 HydrophobicContact CB-CB 4.06Å; T109-D112 WeakPolarHBondContact CB-OD2 3.42Å; T109-D112 PolarHBondContact N-OD2 3.44Å; T109-D112 PolarHBondContact O-N 2.87Å; T109-D112 VanDerWaalsContact O-N 3.16Å; T109-D112 PolarHBondContact OG1-N 3.39Å; T109-D112 PolarHBondContact OG1-OD2 3.19Å; V110-D112 VanDerWaalsContact C-N 3.32Å; V110-D112 PolarHBondContact O-N 3.03Å; D112-K114 PolarHBondContact O-N 2.89Å; D112-K115 PolarHBondContact O-N 3.01Å; D112-K115 IonicContact OD1-NZ 3.91Å; D112-K115 PolarHBondContact OD1-NZ 2.66Å; D112-A116 WeakPolarHBondContact O-CB 2.99Å; D112-A116 PolarHBondContact O-N 2.62Å
113L96Very high94.2Very high0 Ų044.1 Ų44.10%023%0.226CC..Hα-helixtrans-60.4-43.8170.2-177.861.5000111.8V90 V92 I102 V104 T109 V110 A116 I117 L145 L152 L159V90-L113 HydrophobicContact CB-CD1 4.17Å; V90-L113 HydrophobicContact CG1-CD1 4.24Å; V90-L113 HydrophobicContact CG1-CD2 4.45Å; V92-L113 HydrophobicContact CG2-CD1 4.31Å; I102-L113 HydrophobicContact CB-CD1 4.37Å; I102-L113 HydrophobicContact CG2-CD1 4.03Å; V104-L113 HydrophobicContact CG1-CD1 3.97Å; T109-L113 PolarHBondContact O-N 3.41Å; T109-L113 VanDerWaalsContact O-N 3.08Å; V110-L113 PolarHBondContact O-N 3.18Å; L113-A116 PolarHBondContact O-N 2.69Å; L113-I117 HydrophobicContact CD1-CD1 4.35Å; L113-I117 HydrophobicContact CG-CD1 4.04Å; L113-I117 WeakPolarHBondContact O-CD1 3.33Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.32Å; L113-I117 PolarHBondContact O-N 3.28Å; L113-L145 HydrophobicContact CD2-CD1 4.08Å; L113-L145 HydrophobicContact CG-CD1 4.32Å; L113-L152 HydrophobicContact CD2-CD2 4.13Å; L113-L159 HydrophobicContact CB-CD1 4.09Å; L113-L159 HydrophobicContact CB-CD2 4.02Å; L113-L159 HydrophobicContact CD2-CD1 4.35Å; L113-L159 HydrophobicContact CD2-CD2 3.71Å; L113-L159 HydrophobicContact CG-CD2 4.49Å
114K96.2Very high94Very high28 Ų2844.8 Ų44.812%0.12223%0.225CC..Hα-helixtrans-61.2-44.7175.7-72.6168.6-177.4164.20111.5V110 L111 D112 I117 C118 W140 L145 D155V110-K114 HydrophobicContact CG1-CD 4.19Å; V110-K114 WeakPolarHBondContact O-CG 3.49Å; V110-K114 PolarHBondContact O-N 3.25Å; L111-K114 PolarHBondContact O-N 3.34Å; D112-K114 PolarHBondContact O-N 2.89Å; K114-I117 PolarHBondContact O-N 3.14Å; K114-C118 PolarHBondContact O-N 3.16Å; K114-C118 PolarHBondContact O-SG 3.02Å; K114-W140 HydrophobicContact CB-CH2 4.13Å; K114-W140 HydrophobicContact CB-CZ2 3.82Å; K114-W140 HydrophobicContact CD-CD2 4.38Å; K114-W140 HydrophobicContact CD-CE3 4.4Å; K114-W140 HydrophobicContact CG-CD2 4.22Å; K114-W140 HydrophobicContact CG-CE3 4.08Å; K114-W140 HydrophobicContact CG-CH2 3.98Å; K114-W140 HydrophobicContact CG-CZ2 4.1Å; K114-W140 HydrophobicContact CG-CZ3 3.95Å; K114-W140 WeakPolarHBondContact O-CZ2 3.41Å; K114-L145 HydrophobicContact CG-CD1 3.96Å; K114-D155 WeakPolarHBondContact CD-OD1 3.47Å; K114-D155 WeakPolarHBondContact CE-OD1 3.47Å; K114-D155 IonicContact NZ-OD1 2.74Å; K114-D155 PolarHBondContact NZ-OD1 3.38Å; K114-D155 IonicContact NZ-OD2 3.26Å
115K95.7Very high93.6Very high115 Ų11546.4 Ų46.450%0.523%0.232SC..Hα-helixtrans-61.3-46.1174.9-71.1169.3-174.7160.70111.9L111 D112 I117 C118 R119L111-K115 HydrophobicContact CG-CD 4.47Å; L111-K115 WeakPolarHBondContact O-CG 3.24Å; L111-K115 PolarHBondContact O-N 3.46Å; D112-K115 PolarHBondContact O-N 3.01Å; D112-K115 IonicContact OD1-NZ 3.91Å; D112-K115 PolarHBondContact OD1-NZ 2.66Å; K115-I117 VanDerWaalsContact C-N 3.33Å; K115-I117 PolarHBondContact O-N 3.01Å; K115-C118 WeakPolarHBondContact O-CB 3.33Å; K115-C118 PolarHBondContact O-N 2.94Å; K115-C118 VanDerWaalsContact O-N 3.12Å; K115-R119 WeakPolarHBondContact O-CB 3.42Å; K115-R119 PolarHBondContact O-N 3.02Å
116A95.1Very high93.2Very high20 Ų2047.2 Ų47.217%0.16523%0.23CC..Hα-helixtrans-63.1-37.8178.900000112I102 V104 D112 L113 R119 F120I102-A116 HydrophobicContact CG2-CB 3.42Å; I102-A116 VanDerWaalsContact CG2-CB 3.42Å; V104-A116 HydrophobicContact CG1-CB 3.93Å; D112-A116 WeakPolarHBondContact O-CB 2.99Å; D112-A116 PolarHBondContact O-N 2.62Å; L113-A116 PolarHBondContact O-N 2.69Å; A116-R119 PolarHBondContact O-N 2.65Å; A116-F120 VanDerWaalsContact O-CB 3.23Å; A116-F120 WeakPolarHBondContact O-CB 3.42Å; A116-F120 PolarHBondContact O-N 2.94Å
117I94.8Very high93Very high0 Ų047.2 Ų47.20%023%0.226CC..Hα-helixtrans-62.3-45.6170.7-66.5158.9000111.3V92 M100 I102 L113 K114 K115 R119 M121 W136 W140 L145 F172V92-I117 HydrophobicContact CG1-CD1 4.02Å; V92-I117 HydrophobicContact CG1-CG1 4.38Å; V92-I117 HydrophobicContact CG2-CD1 3.99Å; V92-I117 HydrophobicContact CG2-CG1 4.06Å; M100-I117 HydrophobicContact CE-CG2 4.48Å; I102-I117 HydrophobicContact CD1-CG1 4.25Å; I102-I117 HydrophobicContact CG1-CG1 3.89Å; I102-I117 HydrophobicContact CG2-CG1 4.46Å; L113-I117 HydrophobicContact CD1-CD1 4.35Å; L113-I117 HydrophobicContact CG-CD1 4.04Å; L113-I117 WeakPolarHBondContact O-CD1 3.33Å; L113-I117 VanDerWaalsContact O-CG1 3.24Å; L113-I117 WeakPolarHBondContact O-CG1 3.32Å; L113-I117 PolarHBondContact O-N 3.28Å; K114-I117 PolarHBondContact O-N 3.14Å; K115-I117 VanDerWaalsContact C-N 3.33Å; K115-I117 PolarHBondContact O-N 3.01Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 2.99Å; I117-M121 WeakPolarHBondContact O-CB 3.27Å; I117-M121 WeakPolarHBondContact O-CG 3.34Å; I117-M121 PolarHBondContact O-N 3.47Å; I117-W136 HydrophobicContact CG2-CH2 3.82Å; I117-W136 HydrophobicContact CG2-CZ3 3.91Å; I117-W140 HydrophobicContact CB-CH2 4.07Å; I117-W140 HydrophobicContact CB-CZ2 4.43Å; I117-W140 HydrophobicContact CD1-CH2 3.93Å; I117-W140 HydrophobicContact CG2-CH2 3.92Å; I117-W140 HydrophobicContact CG2-CZ2 4.39Å; I117-L145 HydrophobicContact CD1-CD1 3.82Å; I117-L145 HydrophobicContact CD1-CD2 4.03Å; I117-F172 HydrophobicContact CG2-CZ 4.26Å
118C93.8Very high92.6Very high28 Ų2849.3 Ų49.319%0.18923%0.233CC..Hα-helixtrans-56.6-48.5176-63.50000111K114 K115 M121 E122 W136K114-C118 PolarHBondContact O-N 3.16Å; K114-C118 PolarHBondContact O-SG 3.02Å; K115-C118 WeakPolarHBondContact O-CB 3.33Å; K115-C118 PolarHBondContact O-N 2.94Å; K115-C118 VanDerWaalsContact O-N 3.12Å; C118-M121 PolarHBondContact O-N 3.26Å; C118-E122 WeakPolarHBondContact O-CB 3.42Å; C118-E122 PolarHBondContact O-N 2.74Å; C118-W136 HydrophobicContact CB-CD2 4.11Å; C118-W136 HydrophobicContact CB-CG 4.28Å; C118-W136 HydrophobicContact CB-CZ2 4.48Å
119R92.3Very high91.8Very high71 Ų7152.2 Ų52.227%0.26826%0.263SS..Hα-helixtrans-68.2-45.2-174.9-174.656.7171.1152.59112.8E74 K115 A116 I117 M121 E122 L123E74-R119 IonicContact OE2-CZ 3.71Å; E74-R119 IonicContact OE2-NE 3.25Å; E74-R119 PolarHBondContact OE2-NE 3.34Å; E74-R119 IonicContact OE2-NH2 2.72Å; E74-R119 PolarHBondContact OE2-NH2 3.4Å; K115-R119 WeakPolarHBondContact O-CB 3.42Å; K115-R119 PolarHBondContact O-N 3.02Å; A116-R119 PolarHBondContact O-N 2.65Å; I117-R119 VanDerWaalsContact C-N 3.31Å; I117-R119 PolarHBondContact O-N 2.99Å; R119-M121 VanDerWaalsContact C-N 3.3Å; R119-M121 PolarHBondContact O-N 3.14Å; R119-E122 WeakPolarHBondContact CD-OE2 3.32Å; R119-E122 IonicContact CZ-OE2 2.62Å; R119-E122 IonicContact NH1-OE2 2.8Å; R119-E122 PolarHBondContact NH1-OE2 2.72Å; R119-E122 PolarHBondContact O-N 3.08Å; R119-L123 HydrophobicContact CG-CD1 4.19Å; R119-L123 WeakPolarHBondContact O-CG 3.32Å; R119-L123 PolarHBondContact O-N 2.68Å
120F91.9Very high90.9Very high64 Ų6452.4 Ų52.428%0.28127%0.271SS..Hα-helixtrans-57.7-43.4175.1177.8-93.9000111.8M100 I102 A116 K124M100-F120 HydrophobicContact CB-CD1 4.19Å; M100-F120 HydrophobicContact CB-CE1 3.79Å; M100-F120 HydrophobicContact CG-CD1 4.47Å; M100-F120 HydrophobicContact CG-CE1 3.99Å; I102-F120 HydrophobicContact CD1-CB 3.56Å; I102-F120 HydrophobicContact CD1-CD1 3.63Å; I102-F120 HydrophobicContact CD1-CD2 4.09Å; I102-F120 HydrophobicContact CD1-CE1 4.36Å; I102-F120 HydrophobicContact CD1-CG 3.48Å; I102-F120 VanDerWaalsContact CD1-CG 3.48Å; A116-F120 VanDerWaalsContact O-CB 3.23Å; A116-F120 WeakPolarHBondContact O-CB 3.42Å; A116-F120 PolarHBondContact O-N 2.94Å; F120-K124 VanDerWaalsContact O-CB 3.24Å; F120-K124 WeakPolarHBondContact O-CB 3.37Å; F120-K124 PolarHBondContact O-N 3.13Å
121M90.6Very high89.3Confident20 Ų2059 Ų5910%0.09931%0.311CS..Hα-helixtrans-71.4-33.5177.5-76.2-77.298.900113.5M100 I117 C118 R119 K124 Q125 I134 W136M100-M121 HydrophobicContact CG-CE 4.11Å; M100-M121 HydrophobicContact SD-CE 3.46Å; M100-M121 WeakPolarHBondContact SD-CE 3.27Å; M100-M121 HydrophobicContact SD-CG 4.14Å; M100-M121 HydrophobicContact SD-SD 3.77Å; I117-M121 WeakPolarHBondContact O-CB 3.27Å; I117-M121 WeakPolarHBondContact O-CG 3.34Å; I117-M121 PolarHBondContact O-N 3.47Å; C118-M121 PolarHBondContact O-N 3.26Å; R119-M121 VanDerWaalsContact C-N 3.3Å; R119-M121 PolarHBondContact O-N 3.14Å; M121-K124 HydrophobicContact CE-CB 4.4Å; M121-K124 HydrophobicContact CE-CD 3.6Å; M121-Q125 WeakPolarHBondContact O-CB 3.39Å; M121-Q125 PolarHBondContact O-N 2.98Å; M121-I134 HydrophobicContact CB-CD1 4.25Å; M121-W136 HydrophobicContact CB-CH2 4.15Å; M121-W136 HydrophobicContact CB-CZ2 3.66Å; M121-W136 HydrophobicContact CG-CH2 3.95Å; M121-W136 HydrophobicContact CG-CZ2 4Å
122E89.8Confident88.4Confident92 Ų9264 Ų6443%0.4333%0.33SS..Hα-helixtrans-63.6-52.2172.1178.7-179.4-117.700111.1C118 R119 K124 Q125 Q126C118-E122 WeakPolarHBondContact O-CB 3.42Å; C118-E122 PolarHBondContact O-N 2.74Å; R119-E122 WeakPolarHBondContact CD-OE2 3.32Å; R119-E122 IonicContact CZ-OE2 2.62Å; R119-E122 IonicContact NH1-OE2 2.8Å; R119-E122 PolarHBondContact NH1-OE2 2.72Å; R119-E122 PolarHBondContact O-N 3.08Å; E122-K124 PolarHBondContact O-N 2.92Å; E122-Q125 PolarHBondContact O-N 3.45Å; E122-Q126 WeakPolarHBondContact O-CG 3.23Å; E122-Q126 PolarHBondContact O-N 3.29Å
123L89.6Confident87.7Confident11 Ų1169.3 Ų69.36%0.05835%0.352CS..Hα-helixtrans-60.9-44.4177.8-70.7172000112.2T72 E75 R119 Q125 Q126 R127T72-L123 HydrophobicContact CG2-CD2 3.77Å; E75-L123 HydrophobicContact CG-CD1 4.44Å; R119-L123 HydrophobicContact CG-CD1 4.19Å; R119-L123 WeakPolarHBondContact O-CG 3.32Å; R119-L123 PolarHBondContact O-N 2.68Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.87Å; L123-Q126 PolarHBondContact O-N 2.72Å; L123-R127 WeakPolarHBondContact O-CG 3.32Å; L123-R127 PolarHBondContact O-N 3.15Å; L123-R127 VanDerWaalsContact O-N 3.14Å
124K88.9Confident87.3Confident56 Ų5672 Ų7224%0.24337%0.366CS..Hα-helixtrans-57.7-45.8174.6-175.4-177175.8-172.30111E98 F120 M121 E122 R127 E128E98-K124 IonicContact OE1-NZ 2.95Å; E98-K124 PolarHBondContact OE1-NZ 3.39Å; E98-K124 IonicContact OE2-NZ 3.53Å; F120-K124 VanDerWaalsContact O-CB 3.24Å; F120-K124 WeakPolarHBondContact O-CB 3.37Å; F120-K124 PolarHBondContact O-N 3.13Å; M121-K124 HydrophobicContact CE-CB 4.4Å; M121-K124 HydrophobicContact CE-CD 3.6Å; E122-K124 PolarHBondContact O-N 2.92Å; K124-R127 PolarHBondContact O-N 2.86Å; K124-E128 WeakPolarHBondContact CE-OE1 3.47Å; K124-E128 IonicContact NZ-OE1 3.96Å; K124-E128 WeakPolarHBondContact O-CB 3.33Å; K124-E128 WeakPolarHBondContact O-CG 3.48Å; K124-E128 PolarHBondContact O-N 3.22Å
125Q88.2Confident87.1Confident44 Ų4473.6 Ų73.621%0.20638%0.381CS..Hα-helixtrans-69.7-37.9-177.2-178.6169.7113.600112.9M121 E122 L123 E128 G129 G130 K132M121-Q125 WeakPolarHBondContact O-CB 3.39Å; M121-Q125 PolarHBondContact O-N 2.98Å; E122-Q125 PolarHBondContact O-N 3.45Å; L123-Q125 VanDerWaalsContact C-N 3.31Å; L123-Q125 PolarHBondContact O-N 2.87Å; Q125-E128 PolarHBondContact O-N 3.23Å; Q125-G129 PolarHBondContact O-N 3.09Å; Q125-G130 VanDerWaalsContact CG-O 3.31Å; Q125-G130 WeakPolarHBondContact CG-O 3.4Å; Q125-G130 PolarHBondContact O-N 2.95Å; Q125-K132 PolarHBondContact NE2-O 3.48Å; Q125-K132 PolarHBondContact OE1-O 2.91Å
126Q86.5Confident87Confident113 Ų11370.8 Ų70.853%0.52837%0.367SS..Hα-helixtrans-58.4-47.2173.1-74.2169.8-8.500111E122 L123 G129E122-Q126 WeakPolarHBondContact O-CG 3.23Å; E122-Q126 PolarHBondContact O-N 3.29Å; L123-Q126 PolarHBondContact O-N 2.72Å; Q126-G129 PolarHBondContact O-N 3.49Å; Q126-G129 VanDerWaalsContact O-N 3.17Å
127R87.1Confident86.9Confident81 Ų8180 Ų8031%0.30640%0.398SS..Hα-helixtrans-65.8-35.9177.8-69.5169.8-178.8145.69.1113.7Q70 E75 L123 K124 G129Q70-R127 PolarHBondContact O-NE 2.88Å; Q70-R127 PolarHBondContact O-NH2 2.81Å; E75-R127 IonicContact OE1-CZ 2.82Å; E75-R127 VanDerWaalsContact OE1-CZ 3.25Å; E75-R127 IonicContact OE1-NH1 2.85Å; E75-R127 PolarHBondContact OE1-NH1 2.99Å; E75-R127 IonicContact OE1-NH2 3.29Å; E75-R127 PolarHBondContact OE1-NH2 3.22Å; E75-R127 IonicContact OE2-CZ 2.87Å; E75-R127 IonicContact OE2-NH2 2.72Å; E75-R127 PolarHBondContact OE2-NH2 3.41Å; L123-R127 WeakPolarHBondContact O-CG 3.32Å; L123-R127 PolarHBondContact O-N 3.15Å; L123-R127 VanDerWaalsContact O-N 3.14Å; K124-R127 PolarHBondContact O-N 2.86Å; R127-G129 PolarHBondContact O-N 3.33Å
128E86.2Confident86.8Confident133 Ų13385.7 Ų85.762%0.62142%0.42SS*.THydrogen-bonded Turntrans-76.95.2175.6-71.1178.9166.100113.4K124 Q125 G130K124-E128 WeakPolarHBondContact CE-OE1 3.47Å; K124-E128 IonicContact NZ-OE1 3.96Å; K124-E128 WeakPolarHBondContact O-CB 3.33Å; K124-E128 WeakPolarHBondContact O-CG 3.48Å; K124-E128 PolarHBondContact O-N 3.22Å; Q125-E128 PolarHBondContact O-N 3.23Å; E128-G130 PolarHBondContact O-N 3.28Å
129G78.1Confident86.8Confident65 Ų6585.5 Ų85.567%0.6742%0.418SS*.THydrogen-bonded Turntrans65.718.6-177.800000113.7Q125 Q126 R127Q125-G129 PolarHBondContact O-N 3.09Å; Q126-G129 PolarHBondContact O-N 3.49Å; Q126-G129 VanDerWaalsContact O-N 3.17Å; R127-G129 PolarHBondContact O-N 3.33Å
130G77.6Confident86.8Confident32 Ų3284.9 Ų84.933%0.3342%0.416SS..  trans-86.6141.2-176.400000112.8Q125 E128Q125-G130 VanDerWaalsContact CG-O 3.31Å; Q125-G130 WeakPolarHBondContact CG-O 3.4Å; Q125-G130 PolarHBondContact O-N 2.95Å; E128-G130 PolarHBondContact O-N 3.28Å
131V64.8Low86.8Confident140 Ų14089.4 Ų89.485%0.84843%0.431SS*.  trans-112.824.1173.4-155.30000111.3H133V131-H133 VanDerWaalsContact C-N 3.35Å; V131-H133 PolarHBondContact O-N 2.92Å
132K76.3Confident86.9Confident173 Ų17389.4 Ų89.475%0.75243%0.432SS*.  trans-82.672.6-173.5-76.1-178.6180169.50112.3Q125 I134Q125-K132 PolarHBondContact NE2-O 3.48Å; Q125-K132 PolarHBondContact OE1-O 2.91Å; K132-I134 PolarHBondContact O-N 3.14Å; K132-I134 VanDerWaalsContact O-N 3.09Å
133H81.8Confident87Confident169 Ų16988.1 Ų88.178%0.78242%0.424SS*.  trans-47.9113.3178.8-178.2-77.8000113.4V131V131-H133 VanDerWaalsContact C-N 3.35Å; V131-H133 PolarHBondContact O-N 2.92Å
134I88.5Confident87.2Confident56 Ų5688.8 Ų88.829%0.28743%0.427SS..  trans-84.6122.9-180-59.1174000109.7M121 K132 W136 V139M121-I134 HydrophobicContact CB-CD1 4.25Å; K132-I134 PolarHBondContact O-N 3.14Å; K132-I134 VanDerWaalsContact O-N 3.09Å; I134-W136 VanDerWaalsContact C-N 3.31Å; I134-W136 HydrophobicContact CB-CZ2 4.21Å; I134-W136 HydrophobicContact CD1-CZ2 3.84Å; I134-W136 HydrophobicContact CG2-CD2 3.95Å; I134-W136 HydrophobicContact CG2-CE3 4.38Å; I134-W136 HydrophobicContact CG2-CG 4.38Å; I134-W136 HydrophobicContact CG2-CH2 4.32Å; I134-W136 HydrophobicContact CG2-CZ2 3.86Å; I134-W136 PolarHBondContact O-N 3.43Å; I134-V139 HydrophobicContact CG2-CG2 4.03Å
135S92.1Very high87.5Confident63 Ų6386.2 Ų86.244%0.44142%0.415SS..  trans-7683171.9-169.10000110.9R137 Y138 V139S135-R137 PolarHBondContact O-N 3.01Å; S135-Y138 WeakPolarHBondContact O-CA 3.4Å; S135-Y138 WeakPolarHBondContact O-CB 3.22Å; S135-Y138 PolarHBondContact O-N 3.18Å; S135-V139 PolarHBondContact O-N 2.9Å
136W92.9Very high87.8Confident55 Ų5584.3 Ų84.321%0.20841%0.407CS..Hα-helixtrans-55-37.2178.2-72.2111.9000113.3I117 C118 M121 I134 Y138 V139 W140I117-W136 HydrophobicContact CG2-CH2 3.82Å; I117-W136 HydrophobicContact CG2-CZ3 3.91Å; C118-W136 HydrophobicContact CB-CD2 4.11Å; C118-W136 HydrophobicContact CB-CG 4.28Å; C118-W136 HydrophobicContact CB-CZ2 4.48Å; M121-W136 HydrophobicContact CB-CH2 4.15Å; M121-W136 HydrophobicContact CB-CZ2 3.66Å; M121-W136 HydrophobicContact CG-CH2 3.95Å; M121-W136 HydrophobicContact CG-CZ2 4Å; I134-W136 VanDerWaalsContact C-N 3.31Å; I134-W136 HydrophobicContact CB-CZ2 4.21Å; I134-W136 HydrophobicContact CD1-CZ2 3.84Å; I134-W136 HydrophobicContact CG2-CD2 3.95Å; I134-W136 HydrophobicContact CG2-CE3 4.38Å; I134-W136 HydrophobicContact CG2-CG 4.38Å; I134-W136 HydrophobicContact CG2-CH2 4.32Å; I134-W136 HydrophobicContact CG2-CZ2 3.86Å; I134-W136 PolarHBondContact O-N 3.43Å; W136-Y138 VanDerWaalsContact C-N 3.26Å; W136-Y138 PolarHBondContact O-N 3.05Å; W136-V139 HydrophobicContact CE3-CB 4.08Å; W136-V139 HydrophobicContact CE3-CG1 4.2Å; W136-V139 HydrophobicContact CE3-CG2 4.23Å; W136-V139 HydrophobicContact CZ3-CB 4.44Å; W136-V139 HydrophobicContact CZ3-CG1 4.12Å; W136-V139 HydrophobicContact CZ3-CG2 4.46Å; W136-V139 PolarHBondContact O-N 3.42Å; W136-V139 VanDerWaalsContact O-N 3.09Å; W136-W140 HydrophobicContact CD2-CZ2 4.44Å; W136-W140 AromaticContact CE3-CE2 3.67Å; W136-W140 HydrophobicContact CE3-CH2 4.18Å; W136-W140 AromaticContact CE3-CZ2 3.44Å; W136-W140 HydrophobicContact CE3-CZ2 3.44Å; W136-W140 VanDerWaalsContact CE3-CZ2 3.44Å; W136-W140 AromaticContact CE3-NE1 3.88Å; W136-W140 AromaticContact CZ3-CH2 3.96Å; W136-W140 HydrophobicContact CZ3-CH2 3.96Å; W136-W140 AromaticContact CZ3-CZ2 3.64Å; W136-W140 HydrophobicContact CZ3-CZ2 3.64Å; W136-W140 PolarHBondContact O-N 3.41Å
137R93.6Very high88.2Confident215 Ų21579.4 Ų79.481%0.81138%0.384SS*.Hα-helixtrans-57.6-36.8171.9-166.5179.477131.9-3.7112.7S135 R141S135-R137 PolarHBondContact O-N 3.01Å; R137-R141 VanDerWaalsContact O-CB 3.22Å; R137-R141 WeakPolarHBondContact O-CB 3.46Å; R137-R141 PolarHBondContact O-N 3.07Å
138Y92.6Very high88.5Confident119 Ų11983.7 Ų83.747%0.46741%0.407SS..Hα-helixtrans-71.6-43.9173.3174.4-95.8000111.5S135 W136 R141 T142S135-Y138 WeakPolarHBondContact O-CA 3.4Å; S135-Y138 WeakPolarHBondContact O-CB 3.22Å; S135-Y138 PolarHBondContact O-N 3.18Å; W136-Y138 VanDerWaalsContact C-N 3.26Å; W136-Y138 PolarHBondContact O-N 3.05Å; Y138-R141 PolarHBondContact O-N 3.34Å; Y138-T142 HydrophobicContact CE1-CG2 4.34Å; Y138-T142 WeakPolarHBondContact CE2-OG1 3.19Å; Y138-T142 WeakPolarHBondContact O-CB 3.38Å; Y138-T142 PolarHBondContact O-N 3.43Å; Y138-T142 PolarHBondContact O-OG1 3Å
139V93Very high88.6Confident24 Ų2480.2 Ų80.215%0.14541%0.408CS..Hα-helixtrans-56.5-58.1178.3178.20000110.7I134 S135 W136 R141 T142 Y143 F172I134-V139 HydrophobicContact CG2-CG2 4.03Å; S135-V139 PolarHBondContact O-N 2.9Å; W136-V139 HydrophobicContact CE3-CB 4.08Å; W136-V139 HydrophobicContact CE3-CG1 4.2Å; W136-V139 HydrophobicContact CE3-CG2 4.23Å; W136-V139 HydrophobicContact CZ3-CB 4.44Å; W136-V139 HydrophobicContact CZ3-CG1 4.12Å; W136-V139 HydrophobicContact CZ3-CG2 4.46Å; W136-V139 PolarHBondContact O-N 3.42Å; W136-V139 VanDerWaalsContact O-N 3.09Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 2.72Å; V139-T142 PolarHBondContact O-N 2.82Å; V139-Y143 HydrophobicContact CG1-CD2 4.31Å; V139-Y143 PolarHBondContact O-N 3.05Å; V139-F172 HydrophobicContact CG1-CE1 3.83Å
140W93.3Very high89.4Confident57 Ų5782 Ų8222%0.21640%0.398CS..Hα-helixtrans-64.9-26.3-178.7-52.9135.2000113.7K114 I117 W136 L145 F172K114-W140 HydrophobicContact CB-CH2 4.13Å; K114-W140 HydrophobicContact CB-CZ2 3.82Å; K114-W140 HydrophobicContact CD-CD2 4.38Å; K114-W140 HydrophobicContact CD-CE3 4.4Å; K114-W140 HydrophobicContact CG-CD2 4.22Å; K114-W140 HydrophobicContact CG-CE3 4.08Å; K114-W140 HydrophobicContact CG-CH2 3.98Å; K114-W140 HydrophobicContact CG-CZ2 4.1Å; K114-W140 HydrophobicContact CG-CZ3 3.95Å; K114-W140 WeakPolarHBondContact O-CZ2 3.41Å; I117-W140 HydrophobicContact CB-CH2 4.07Å; I117-W140 HydrophobicContact CB-CZ2 4.43Å; I117-W140 HydrophobicContact CD1-CH2 3.93Å; I117-W140 HydrophobicContact CG2-CH2 3.92Å; I117-W140 HydrophobicContact CG2-CZ2 4.39Å; W136-W140 HydrophobicContact CD2-CZ2 4.44Å; W136-W140 AromaticContact CE3-CE2 3.67Å; W136-W140 HydrophobicContact CE3-CH2 4.18Å; W136-W140 AromaticContact CE3-CZ2 3.44Å; W136-W140 HydrophobicContact CE3-CZ2 3.44Å; W136-W140 VanDerWaalsContact CE3-CZ2 3.44Å; W136-W140 AromaticContact CE3-NE1 3.88Å; W136-W140 AromaticContact CZ3-CH2 3.96Å; W136-W140 HydrophobicContact CZ3-CH2 3.96Å; W136-W140 AromaticContact CZ3-CZ2 3.64Å; W136-W140 HydrophobicContact CZ3-CZ2 3.64Å; W136-W140 PolarHBondContact O-N 3.41Å; W140-L145 HydrophobicContact CZ3-CD1 4.21Å; W140-L145 HydrophobicContact CZ3-CD2 4.33Å; W140-L145 HydrophobicContact CZ3-CG 4.17Å; W140-F172 HydrophobicContact CE3-CE1 4.27Å; W140-F172 HydrophobicContact CH2-CE1 4.15Å; W140-F172 AromaticContact CH2-CZ 3.93Å; W140-F172 HydrophobicContact CH2-CZ 3.93Å; W140-F172 AromaticContact CZ3-CE1 3.5Å; W140-F172 HydrophobicContact CZ3-CE1 3.5Å; W140-F172 AromaticContact CZ3-CZ 3.74Å; W140-F172 HydrophobicContact CZ3-CZ 3.74Å
141R92Very high90.2Very high159 Ų15985.1 Ų85.160%0.640%0.403SS*.Hα-helixtrans-74.4-27.5171.7-169.4-177.469.6165.2-0.8112.8R137 Y138 V139 R175R137-R141 VanDerWaalsContact O-CB 3.22Å; R137-R141 WeakPolarHBondContact O-CB 3.46Å; R137-R141 PolarHBondContact O-N 3.07Å; Y138-R141 PolarHBondContact O-N 3.34Å; V139-R141 VanDerWaalsContact C-N 3.26Å; V139-R141 PolarHBondContact O-N 2.72Å; R141-R175 WeakPolarHBondContact O-CD 3.16Å; R141-R175 PolarHBondContact O-NH1 2.84Å
142T91.6Very high91.7Very high21 Ų2178.5 Ų78.513%0.12936%0.363CS..Hα-helixtrans-105.4-23.5-167.2-52.80000113.3Y138 V139 R175Y138-T142 HydrophobicContact CE1-CG2 4.34Å; Y138-T142 WeakPolarHBondContact CE2-OG1 3.19Å; Y138-T142 WeakPolarHBondContact O-CB 3.38Å; Y138-T142 PolarHBondContact O-N 3.43Å; Y138-T142 PolarHBondContact O-OG1 3Å; V139-T142 PolarHBondContact O-N 2.82Å; T142-R175 VanDerWaalsContact O-CB 3.32Å; T142-R175 WeakPolarHBondContact O-CB 3.36Å; T142-R175 WeakPolarHBondContact O-CG 3.26Å; T142-R175 PolarHBondContact O-N 2.89Å
143Y92.6Very high92.4Very high64 Ų6475.3 Ų75.325%0.25135%0.351SS..EExtended strand (participates in β ladder)trans-129.4145.8-179.2-57.7-90.8000110.6V139 F172 M173 K174V139-Y143 HydrophobicContact CG1-CD2 4.31Å; V139-Y143 PolarHBondContact O-N 3.05Å; Y143-F172 HydrophobicContact CG-CD1 4.39Å; Y143-M173 CarbonylContact C-O 3.54Å; Y143-M173 VanDerWaalsContact CA-O 3.27Å; Y143-M173 WeakPolarHBondContact CA-O 3.46Å; Y143-K174 HydrophobicContact CD1-CB 3.89Å; Y143-K174 HydrophobicContact CD1-CG 4.31Å; Y143-K174 HydrophobicContact CE1-CB 3.76Å; Y143-K174 HydrophobicContact CE1-CD 4.39Å; Y143-K174 HydrophobicContact CE1-CG 3.93Å
144H93.1Very high93.1Very high25 Ų2570.9 Ų70.912%0.11633%0.332CS..EExtended strand (participates in β ladder)trans-96.5150.8163.8-68.1-82.9000109.7V146 K151 E153 M173 R175H144-V146 HydrophobicContact CB-CG2 4.11Å; H144-K151 HydrophobicContact CB-CG 4.47Å; H144-E153 VanDerWaalsContact CE1-CD 3.47Å; H144-E153 IonicContact CE1-OE1 3.81Å; H144-E153 PolarHBondContact CE1-OE1 3.09Å; H144-E153 IonicContact ND1-OE1 3.51Å; H144-E153 IonicContact NE2-OE1 3.46Å; H144-M173 PolarHBondContact N-O 2.84Å; H144-M173 PolarHBondContact O-N 2.99Å; H144-R175 WeakPolarHBondContact CD2-CG 3.42Å; H144-R175 PolarHBondContact CE1-NE 3.29Å; H144-R175 WeakPolarHBondContact NE2-CG 3.29Å; H144-R175 PolarHBondContact NE2-NE 3.14Å
145L95.1Very high93.4Very high2 Ų271.2 Ų71.21%0.0134%0.335CS..EExtended strand (participates in β ladder)trans-80.3134.7156.8-66.3174.7000107.8V92 L113 K114 I117 W140 L152 V170 T171 F172V92-L145 HydrophobicContact CG1-CD2 4.29Å; L113-L145 HydrophobicContact CD2-CD1 4.08Å; L113-L145 HydrophobicContact CG-CD1 4.32Å; K114-L145 HydrophobicContact CG-CD1 3.96Å; I117-L145 HydrophobicContact CD1-CD1 3.82Å; I117-L145 HydrophobicContact CD1-CD2 4.03Å; W140-L145 HydrophobicContact CZ3-CD1 4.21Å; W140-L145 HydrophobicContact CZ3-CD2 4.33Å; W140-L145 HydrophobicContact CZ3-CG 4.17Å; L145-L152 HydrophobicContact CB-CB 4.15Å; L145-L152 HydrophobicContact CB-CD2 4.15Å; L145-L152 PolarHBondContact O-N 2.88Å; L145-V170 HydrophobicContact CB-CG1 3.82Å; L145-V170 HydrophobicContact CD2-CG1 4.12Å; L145-V170 HydrophobicContact CG-CG1 4.44Å; L145-T171 CarbonylContact C-O 3.53Å; L145-T171 WeakPolarHBondContact CA-O 3.41Å; L145-F172 HydrophobicContact CD2-CD1 4.07Å; L145-F172 HydrophobicContact CD2-CD2 4.22Å; L145-F172 HydrophobicContact CD2-CE1 3.82Å; L145-F172 HydrophobicContact CD2-CE2 3.97Å; L145-F172 HydrophobicContact CD2-CG 4.28Å; L145-F172 HydrophobicContact CD2-CZ 3.76Å
146V95Very high93.6Very high4 Ų473.5 Ų73.52%0.02435%0.347CS..EExtended strand (participates in β ladder)trans-132.3128.5-175.3179.50000110.5H144 E150 K151 T171 M173H144-V146 HydrophobicContact CB-CG2 4.11Å; V146-E150 CarbonylContact C-O 3.56Å; V146-E150 VanDerWaalsContact CA-O 3.25Å; V146-E150 WeakPolarHBondContact CA-O 3.34Å; V146-E150 WeakPolarHBondContact CG1-O 3.34Å; V146-K151 HydrophobicContact CG2-CG 4.06Å; V146-T171 PolarHBondContact N-O 2.85Å; V146-T171 PolarHBondContact O-N 3.05Å; V146-T171 PolarHBondContact O-OG1 2.87Å; V146-M173 HydrophobicContact CB-CB 4.37Å; V146-M173 HydrophobicContact CB-CE 4.39Å; V146-M173 HydrophobicContact CG1-CE 4.02Å; V146-M173 HydrophobicContact CG2-CB 3.51Å; V146-M173 HydrophobicContact CG2-CE 4.13Å; V146-M173 HydrophobicContact CG2-CG 4.42Å; V146-M173 HydrophobicContact CG2-SD 4.16Å
147F95.8Very high93.8Very high10 Ų1073.6 Ų73.64%0.04435%0.35CS..EExtended strand (participates in β ladder)trans-119.4122.8174.9177.7-114.6000109.1G149 E150 L152 Y162 I164 D168 E169 V170F147-G149 PolarHBondContact O-N 3.4Å; F147-E150 PolarHBondContact N-O 2.99Å; F147-E150 PolarHBondContact O-N 2.91Å; F147-L152 HydrophobicContact CB-CD1 3.92Å; F147-Y162 VanDerWaalsContact CD1-O 3.31Å; F147-Y162 WeakPolarHBondContact CD1-O 3.38Å; F147-Y162 WeakPolarHBondContact CE1-O 3.23Å; F147-I164 HydrophobicContact CB-CD1 4.07Å; F147-I164 HydrophobicContact CB-CG1 4.05Å; F147-I164 HydrophobicContact CD1-CD1 4.38Å; F147-I164 HydrophobicContact CD1-CG1 3.51Å; F147-I164 HydrophobicContact CD2-CG1 3.9Å; F147-I164 HydrophobicContact CE1-CG1 3.81Å; F147-I164 HydrophobicContact CE2-CG1 4.2Å; F147-I164 HydrophobicContact CG-CD1 4.12Å; F147-I164 HydrophobicContact CG-CG1 3.54Å; F147-I164 HydrophobicContact CZ-CG1 4.13Å; F147-D168 HydrophobicContact CE2-CB 3.85Å; F147-D168 HydrophobicContact CZ-CB 4.39Å; F147-E169 WeakPolarHBondContact CD2-O 3.18Å; F147-V170 HydrophobicContact CB-CG2 4.41Å; F147-V170 HydrophobicContact CD2-CG2 4.36Å
148Q92.1Very high93.9Very high171 Ų17169.2 Ų69.280%0.79933%0.333SS*.THydrogen-bonded Turntrans50.123.5179.2-57-1726.600115.8
149G89.5Confident94.1Very high61 Ų6163.6 Ų63.663%0.62931%0.311SS*.THydrogen-bonded Turntrans96.6-14.6-176.700000114.8F147F147-G149 PolarHBondContact O-N 3.4Å
150E94.3Very high94.2Very high102 Ų10266.3 Ų66.348%0.47732%0.321SS..EExtended strand (participates in β ladder)trans-82.3140.6172-173167.1-171.900111.3V146 F147 Y162V146-E150 CarbonylContact C-O 3.56Å; V146-E150 VanDerWaalsContact CA-O 3.25Å; V146-E150 WeakPolarHBondContact CA-O 3.34Å; V146-E150 WeakPolarHBondContact CG1-O 3.34Å; F147-E150 PolarHBondContact N-O 2.99Å; F147-E150 PolarHBondContact O-N 2.91Å; E150-Y162 HydrophobicContact CG-CD1 4.05Å; E150-Y162 HydrophobicContact CG-CE1 4.13Å; E150-Y162 WeakPolarHBondContact OE1-CD1 3.35Å; E150-Y162 WeakPolarHBondContact OE1-CE1 3.31Å
151K94.9Very high94.3Very high97 Ų9768.1 Ų68.142%0.42234%0.335SS..EExtended strand (participates in β ladder)trans-98.8129.7-177.6-60.1173.9-172.7166.60110.6H144 V146 E153H144-K151 HydrophobicContact CB-CG 4.47Å; V146-K151 HydrophobicContact CG2-CG 4.06Å; K151-E153 VanDerWaalsContact C-N 3.28Å; K151-E153 HydrophobicContact CB-CG 3.79Å; K151-E153 WeakPolarHBondContact CD-OE1 3.42Å; K151-E153 IonicContact NZ-OE1 3.54Å; K151-E153 PolarHBondContact O-N 2.97Å
152L94.8Very high94.4Very high1 Ų161.5 Ų61.51%0.00531%0.31CS..  trans-79.678.3174.5-73.662.8000109.1V110 L113 L145 F147 L159 Y162 I164 V170V110-L152 HydrophobicContact CG1-CB 3.81Å; V110-L152 HydrophobicContact CG2-CB 3.86Å; V110-L152 HydrophobicContact CG2-CD2 4.06Å; V110-L152 HydrophobicContact CG2-CG 3.99Å; L113-L152 HydrophobicContact CD2-CD2 4.13Å; L145-L152 HydrophobicContact CB-CB 4.15Å; L145-L152 HydrophobicContact CB-CD2 4.15Å; L145-L152 PolarHBondContact O-N 2.88Å; F147-L152 HydrophobicContact CB-CD1 3.92Å; L152-L159 HydrophobicContact CD2-CD2 4.1Å; L152-Y162 HydrophobicContact CG-CD2 4.21Å; L152-Y162 HydrophobicContact CG-CE2 4.27Å; L152-Y162 HydrophobicContact CG-CG 4.44Å; L152-I164 HydrophobicContact CD1-CD1 4.34Å; L152-I164 HydrophobicContact CD2-CD1 3.82Å; L152-I164 HydrophobicContact CG-CD1 4.42Å; L152-V170 HydrophobicContact CD2-CG1 4.48Å
153E92.4Very high94.5Very high107 Ų10762.3 Ų62.350%0.532%0.323SS..  trans-92.9-31.3-179.7-62.3-164.8179.500113.4H144 K151H144-E153 VanDerWaalsContact CE1-CD 3.47Å; H144-E153 IonicContact CE1-OE1 3.81Å; H144-E153 PolarHBondContact CE1-OE1 3.09Å; H144-E153 IonicContact ND1-OE1 3.51Å; H144-E153 IonicContact NE2-OE1 3.46Å; K151-E153 VanDerWaalsContact C-N 3.28Å; K151-E153 HydrophobicContact CB-CG 3.79Å; K151-E153 WeakPolarHBondContact CD-OE1 3.42Å; K151-E153 IonicContact NZ-OE1 3.54Å; K151-E153 PolarHBondContact O-N 2.97Å
154D95.2Very high94.7Very high75 Ų7559.3 Ų59.340%0.40131%0.311SS..  trans-85.8114.1178.3-169.2-28.1000110.7V110 T156 M157 Y162V110-D154 VanDerWaalsContact CB-O 3.23Å; V110-D154 WeakPolarHBondContact CB-O 3.44Å; V110-D154 VanDerWaalsContact CG2-O 3.28Å; V110-D154 WeakPolarHBondContact CG2-O 3.45Å; D154-T156 VanDerWaalsContact C-N 3.25Å; D154-T156 PolarHBondContact O-N 3.28Å; D154-T156 WeakPolarHBondContact OD1-CA 3.46Å; D154-T156 WeakPolarHBondContact OD1-CB 3.48Å; D154-T156 PolarHBondContact OD1-N 3.17Å; D154-T156 PolarHBondContact OD1-OG1 2.9Å; D154-M157 HydrophobicContact CB-CB 3.93Å; D154-M157 PolarHBondContact OD1-N 3.24Å; D154-Y162 PolarHBondContact N-OH 2.96Å
155D96.2Very high94.8Very high64 Ų6466.6 Ų66.634%0.34234%0.338SS..SBendtrans-69.1-19.2179.3-87.4-22.9000113.8T109 L111 K114T109-D155 WeakPolarHBondContact CB-O 3.39Å; T109-D155 PolarHBondContact OG1-O 2.87Å; L111-D155 HydrophobicContact CB-CB 4.01Å; L111-D155 VanDerWaalsContact CB-O 3.23Å; L111-D155 WeakPolarHBondContact CB-O 3.42Å; L111-D155 PolarHBondContact N-O 3.35Å; L111-D155 VanDerWaalsContact N-O 3.17Å; K114-D155 WeakPolarHBondContact CD-OD1 3.47Å; K114-D155 WeakPolarHBondContact CE-OD1 3.47Å; K114-D155 IonicContact NZ-OD1 2.74Å; K114-D155 PolarHBondContact NZ-OD1 3.38Å; K114-D155 IonicContact NZ-OD2 3.26Å
156T96.1Very high94.8Very high111 Ų11170.4 Ų70.468%0.68136%0.358SS*.SBendtrans-94.5-23.1-177.270.30000113.8T109 D154T109-T156 WeakPolarHBondContact CG2-O 3.36Å; D154-T156 VanDerWaalsContact C-N 3.25Å; D154-T156 PolarHBondContact O-N 3.28Å; D154-T156 WeakPolarHBondContact OD1-CA 3.46Å; D154-T156 WeakPolarHBondContact OD1-CB 3.48Å; D154-T156 PolarHBondContact OD1-N 3.17Å; D154-T156 PolarHBondContact OD1-OG1 2.9Å
157M96.3Very high94.7Very high56 Ų5679 Ų7928%0.27639%0.39SS..SBendtrans-69.7143.7179.9-173.8166.8175.300111.1T109 V110 D154 D161 Y162T109-M157 WeakPolarHBondContact CA-O 3.24Å; V110-M157 PolarHBondContact N-O 2.97Å; V110-M157 VanDerWaalsContact N-O 3.1Å; D154-M157 HydrophobicContact CB-CB 3.93Å; D154-M157 PolarHBondContact OD1-N 3.24Å; M157-D161 HydrophobicContact CE-CB 3.56Å; M157-D161 HydrophobicContact CG-CB 3.92Å; M157-Y162 HydrophobicContact CB-CE2 3.79Å; M157-Y162 HydrophobicContact CE-CD1 4.15Å; M157-Y162 HydrophobicContact CE-CD2 4.32Å; M157-Y162 HydrophobicContact CE-CE1 4.12Å; M157-Y162 HydrophobicContact CE-CE2 4.3Å; M157-Y162 HydrophobicContact CE-CG 4.26Å; M157-Y162 HydrophobicContact CG-CD2 4.03Å; M157-Y162 HydrophobicContact CG-CE2 3.6Å; M157-Y162 HydrophobicContact SD-CD1 4.47Å; M157-Y162 HydrophobicContact SD-CD2 4.22Å; M157-Y162 HydrophobicContact SD-CE1 3.92Å; M157-Y162 HydrophobicContact SD-CE2 3.64Å
158R96.8Very high94.7Very high124 Ų12480.2 Ų80.247%0.46840%0.397SS..BIsolated β-bridgetrans-80.6149.4-177.6-55.8173171170.4-1.3110.6A108 K160 D161 Y162A108-R158 WeakPolarHBondContact O-CA 3.15Å; R158-K160 PolarHBondContact O-N 3.43Å; R158-D161 VanDerWaalsContact CB-OD2 3.22Å; R158-D161 WeakPolarHBondContact CB-OD2 3.44Å; R158-D161 PolarHBondContact N-OD2 2.8Å; R158-D161 VanDerWaalsContact N-OD2 3.1Å; R158-D161 WeakPolarHBondContact O-CB 3.49Å; R158-D161 PolarHBondContact O-N 2.79Å; R158-Y162 PolarHBondContact O-N 3.16Å
159L96Very high94.9Very high1 Ų176.3 Ų76.31%0.00538%0.379CS..THydrogen-bonded Turntrans-57.7-37176-59.3176.3000111.9M88 V90 V104 A108 V110 L113 L152 D161 Y162 G163 I164M88-L159 HydrophobicContact CE-CB 3.83Å; M88-L159 HydrophobicContact CE-CD1 3.79Å; M88-L159 HydrophobicContact CE-CG 4.48Å; V90-L159 HydrophobicContact CG2-CD1 4.46Å; V104-L159 HydrophobicContact CG2-CD1 3.78Å; A108-L159 HydrophobicContact CB-CD1 4.09Å; A108-L159 PolarHBondContact O-N 3.02Å; V110-L159 HydrophobicContact CG2-CD2 4.17Å; L113-L159 HydrophobicContact CB-CD1 4.09Å; L113-L159 HydrophobicContact CB-CD2 4.02Å; L113-L159 HydrophobicContact CD2-CD1 4.35Å; L113-L159 HydrophobicContact CD2-CD2 3.71Å; L113-L159 HydrophobicContact CG-CD2 4.49Å; L152-L159 HydrophobicContact CD2-CD2 4.1Å; L159-D161 VanDerWaalsContact C-N 3.29Å; L159-D161 PolarHBondContact O-N 3.49Å; L159-Y162 WeakPolarHBondContact O-CB 3.32Å; L159-Y162 PolarHBondContact O-N 3.46Å; L159-G163 PolarHBondContact O-N 3.02Å; L159-I164 HydrophobicContact CB-CB 4.21Å; L159-I164 HydrophobicContact CB-CD1 4.33Å; L159-I164 HydrophobicContact CD2-CD1 4.08Å; L159-I164 VanDerWaalsContact O-CB 3.3Å; L159-I164 WeakPolarHBondContact O-CB 3.27Å; L159-I164 PolarHBondContact O-N 3.43Å
160K94.8Very high95.2Very high80 Ų8073.4 Ų73.435%0.34835%0.349SS..THydrogen-bonded Turntrans-62.4-31.6174-74.8177171.1168.10113.9Q106 N107 R158 Y162 G163Q106-K160 VanDerWaalsContact O-CD 3.27Å; Q106-K160 WeakPolarHBondContact O-CD 2.88Å; Q106-K160 WeakPolarHBondContact O-CE 3.38Å; Q106-K160 PolarHBondContact O-NZ 3Å; N107-K160 PolarHBondContact OD1-NZ 2.89Å; R158-K160 PolarHBondContact O-N 3.43Å; K160-Y162 VanDerWaalsContact C-N 3.29Å; K160-G163 WeakPolarHBondContact O-CA 3.4Å; K160-G163 PolarHBondContact O-N 3.13Å
161D95.4Very high95.3Very high95 Ų9571 Ų7151%0.50834%0.341SS..THydrogen-bonded Turntrans-73.8-28.4-178.5-51.4-27.3000110.4M157 R158 L159 G163M157-D161 HydrophobicContact CE-CB 3.56Å; M157-D161 HydrophobicContact CG-CB 3.92Å; R158-D161 VanDerWaalsContact CB-OD2 3.22Å; R158-D161 WeakPolarHBondContact CB-OD2 3.44Å; R158-D161 PolarHBondContact N-OD2 2.8Å; R158-D161 VanDerWaalsContact N-OD2 3.1Å; R158-D161 WeakPolarHBondContact O-CB 3.49Å; R158-D161 PolarHBondContact O-N 2.79Å; L159-D161 VanDerWaalsContact C-N 3.29Å; L159-D161 PolarHBondContact O-N 3.49Å; D161-G163 PolarHBondContact O-N 2.85Å
162Y94.7Very high95.2Very high20 Ų2068 Ų688%0.07833%0.329CS..THydrogen-bonded Turntrans-77.34164.9-71.5-70.6000113.8V110 F147 E150 L152 D154 M157 R158 L159 K160 I164V110-Y162 HydrophobicContact CG2-CD2 3.98Å; V110-Y162 HydrophobicContact CG2-CE2 3.49Å; V110-Y162 VanDerWaalsContact CG2-CE2 3.49Å; F147-Y162 VanDerWaalsContact CD1-O 3.31Å; F147-Y162 WeakPolarHBondContact CD1-O 3.38Å; F147-Y162 WeakPolarHBondContact CE1-O 3.23Å; E150-Y162 HydrophobicContact CG-CD1 4.05Å; E150-Y162 HydrophobicContact CG-CE1 4.13Å; E150-Y162 WeakPolarHBondContact OE1-CD1 3.35Å; E150-Y162 WeakPolarHBondContact OE1-CE1 3.31Å; L152-Y162 HydrophobicContact CG-CD2 4.21Å; L152-Y162 HydrophobicContact CG-CE2 4.27Å; L152-Y162 HydrophobicContact CG-CG 4.44Å; D154-Y162 PolarHBondContact N-OH 2.96Å; M157-Y162 HydrophobicContact CB-CE2 3.79Å; M157-Y162 HydrophobicContact CE-CD1 4.15Å; M157-Y162 HydrophobicContact CE-CD2 4.32Å; M157-Y162 HydrophobicContact CE-CE1 4.12Å; M157-Y162 HydrophobicContact CE-CE2 4.3Å; M157-Y162 HydrophobicContact CE-CG 4.26Å; M157-Y162 HydrophobicContact CG-CD2 4.03Å; M157-Y162 HydrophobicContact CG-CE2 3.6Å; M157-Y162 HydrophobicContact SD-CD1 4.47Å; M157-Y162 HydrophobicContact SD-CD2 4.22Å; M157-Y162 HydrophobicContact SD-CE1 3.92Å; M157-Y162 HydrophobicContact SD-CE2 3.64Å; R158-Y162 PolarHBondContact O-N 3.16Å; L159-Y162 WeakPolarHBondContact O-CB 3.32Å; L159-Y162 PolarHBondContact O-N 3.46Å; K160-Y162 VanDerWaalsContact C-N 3.29Å; Y162-I164 VanDerWaalsContact C-N 3.3Å; Y162-I164 PolarHBondContact O-N 3.41Å
163G94.3Very high95.1Very high39 Ų3972.3 Ų72.340%0.40235%0.35SS..THydrogen-bonded Turntrans759-178.100000115.6L159 K160 D161L159-G163 PolarHBondContact O-N 3.02Å; K160-G163 WeakPolarHBondContact O-CA 3.4Å; K160-G163 PolarHBondContact O-N 3.13Å; D161-G163 PolarHBondContact O-N 2.85Å
164I95.9Very high95Very high0 Ų073.9 Ų73.90%036%0.355CS..  trans-74.2129.8179.1-57.6166.1000109.7V90 F147 L152 L159 Y162 D168 V170V90-I164 HydrophobicContact CG1-CG2 4.46Å; V90-I164 HydrophobicContact CG2-CG2 4.1Å; F147-I164 HydrophobicContact CB-CD1 4.07Å; F147-I164 HydrophobicContact CB-CG1 4.05Å; F147-I164 HydrophobicContact CD1-CD1 4.38Å; F147-I164 HydrophobicContact CD1-CG1 3.51Å; F147-I164 HydrophobicContact CD2-CG1 3.9Å; F147-I164 HydrophobicContact CE1-CG1 3.81Å; F147-I164 HydrophobicContact CE2-CG1 4.2Å; F147-I164 HydrophobicContact CG-CD1 4.12Å; F147-I164 HydrophobicContact CG-CG1 3.54Å; F147-I164 HydrophobicContact CZ-CG1 4.13Å; L152-I164 HydrophobicContact CD1-CD1 4.34Å; L152-I164 HydrophobicContact CD2-CD1 3.82Å; L152-I164 HydrophobicContact CG-CD1 4.42Å; L159-I164 HydrophobicContact CB-CB 4.21Å; L159-I164 HydrophobicContact CB-CD1 4.33Å; L159-I164 HydrophobicContact CD2-CD1 4.08Å; L159-I164 VanDerWaalsContact O-CB 3.3Å; L159-I164 WeakPolarHBondContact O-CB 3.27Å; L159-I164 PolarHBondContact O-N 3.43Å; Y162-I164 VanDerWaalsContact C-N 3.3Å; Y162-I164 PolarHBondContact O-N 3.41Å; I164-D168 HydrophobicContact CG2-CB 4.23Å; I164-V170 HydrophobicContact CD1-CG2 4.08Å
165R94.6Very high94.7Very high179 Ų17975.8 Ų75.868%0.67536%0.356SS*.  trans-123.2-178179.6-56.4179.2-62.4175.22.6111.3R167 D168R165-R167 PolarHBondContact O-N 3.24Å; R165-D168 WeakPolarHBondContact CA-OD2 3.45Å; R165-D168 WeakPolarHBondContact CB-OD2 3.35Å; R165-D168 PolarHBondContact N-OD2 2.89Å; R165-D168 IonicContact NE-OD2 3.95Å; R165-D168 WeakPolarHBondContact O-CB 3.23Å; R165-D168 PolarHBondContact O-N 2.89Å
166N95.4Very high93.8Very high82 Ų8280.8 Ų80.844%0.43938%0.382SS..THydrogen-bonded Turntrans-62.2133.5177.9-16714.6000111.6M88 T89 D168M88-N166 HydrophobicContact CB-CB 3.87Å; T89-N166 PolarHBondContact N-OD1 2.98Å; T89-N166 PolarHBondContact O-OD1 3.49Å; N166-D168 PolarHBondContact O-N 3.22Å
167R93.8Very high92.7Very high184 Ų18486.8 Ų86.869%0.69439%0.392SS*.THydrogen-bonded Turntrans68.28.4-178.2-54.1177.6175171.5-2.5116T89 R165T89-R167 VanDerWaalsContact O-CA 3.31Å; T89-R167 WeakPolarHBondContact O-CA 3.41Å; T89-R167 PolarHBondContact O-N 3.46Å; R165-R167 PolarHBondContact O-N 3.24Å
168D96.1Very high91Very high35 Ų3594 Ų9419%0.18742%0.422CS..  trans-70.6158.5172.4-80.3-26.7000112.3K91 F147 I164 R165 N166K91-D168 PolarHBondContact N-O 2.99Å; F147-D168 HydrophobicContact CE2-CB 3.85Å; F147-D168 HydrophobicContact CZ-CB 4.39Å; I164-D168 HydrophobicContact CG2-CB 4.23Å; R165-D168 WeakPolarHBondContact CA-OD2 3.45Å; R165-D168 WeakPolarHBondContact CB-OD2 3.35Å; R165-D168 PolarHBondContact N-OD2 2.89Å; R165-D168 IonicContact NE-OD2 3.95Å; R165-D168 WeakPolarHBondContact O-CB 3.23Å; R165-D168 PolarHBondContact O-N 2.89Å; N166-D168 PolarHBondContact O-N 3.22Å
169E95.8Very high88.7Confident89 Ų89101.3 Ų101.342%0.41646%0.457SS..EExtended strand (participates in β ladder)trans-110.1124.4-170.8-74.3172.7-165.400112.6K91 L93 F147K91-E169 HydrophobicContact CB-CG 3.71Å; K91-E169 HydrophobicContact CD-CG 3.53Å; K91-E169 WeakPolarHBondContact CD-OE1 3.45Å; K91-E169 HydrophobicContact CG-CG 4.35Å; K91-E169 IonicContact NZ-OE1 2.85Å; K91-E169 PolarHBondContact NZ-OE1 3Å; K91-E169 CarbonylContact O-C 3.48Å; K91-E169 WeakPolarHBondContact O-CA 3.48Å; L93-E169 HydrophobicContact CD1-CB 4.13Å; L93-E169 HydrophobicContact CD1-CG 4.43Å; F147-E169 WeakPolarHBondContact CD2-O 3.18Å
170V96.3Very high88.3Confident0 Ų0106.4 Ų106.40%048%0.48CS..EExtended strand (participates in β ladder)trans-116.3132.7178.1178.90000109V90 K91 V92 L93 L145 F147 L152 I164V90-V170 HydrophobicContact CG1-CB 4.19Å; V90-V170 HydrophobicContact CG1-CG2 3.58Å; K91-V170 PolarHBondContact O-N 2.89Å; V92-V170 CarbonylContact C-O 3.57Å; V92-V170 WeakPolarHBondContact CA-O 3.34Å; L93-V170 PolarHBondContact N-O 3.15Å; L145-V170 HydrophobicContact CB-CG1 3.82Å; L145-V170 HydrophobicContact CD2-CG1 4.12Å; L145-V170 HydrophobicContact CG-CG1 4.44Å; F147-V170 HydrophobicContact CB-CG2 4.41Å; F147-V170 HydrophobicContact CD2-CG2 4.36Å; L152-V170 HydrophobicContact CD2-CG1 4.48Å; I164-V170 HydrophobicContact CD1-CG2 4.08Å
171T95.3Very high88Confident52 Ų52107.7 Ų107.732%0.31949%0.487SS..EExtended strand (participates in β ladder)trans-111.6147.4-173.555.10000112.4L93 L145 V146L93-T171 HydrophobicContact CB-CG2 3.83Å; L93-T171 HydrophobicContact CD1-CG2 3.69Å; L93-T171 HydrophobicContact CG-CG2 4.42Å; L145-T171 CarbonylContact C-O 3.53Å; L145-T171 WeakPolarHBondContact CA-O 3.41Å; V146-T171 PolarHBondContact N-O 2.85Å; V146-T171 PolarHBondContact O-N 3.05Å; V146-T171 PolarHBondContact O-OG1 2.87Å
172F93.7Very high87.6Confident35 Ų35108.4 Ų108.415%0.15449%0.486CS..EExtended strand (participates in β ladder)trans-80.9116.4167-83.3-83.9000111.5V92 L93 M100 I117 V139 W140 Y143 L145V92-F172 HydrophobicContact CG1-CD2 3.96Å; V92-F172 HydrophobicContact CG1-CE2 3.53Å; V92-F172 HydrophobicContact CG1-CZ 4.49Å; L93-F172 PolarHBondContact O-N 2.91Å; M100-F172 HydrophobicContact CE-CE2 3.98Å; I117-F172 HydrophobicContact CG2-CZ 4.26Å; V139-F172 HydrophobicContact CG1-CE1 3.83Å; W140-F172 HydrophobicContact CE3-CE1 4.27Å; W140-F172 HydrophobicContact CH2-CE1 4.15Å; W140-F172 AromaticContact CH2-CZ 3.93Å; W140-F172 HydrophobicContact CH2-CZ 3.93Å; W140-F172 AromaticContact CZ3-CE1 3.5Å; W140-F172 HydrophobicContact CZ3-CE1 3.5Å; W140-F172 AromaticContact CZ3-CZ 3.74Å; W140-F172 HydrophobicContact CZ3-CZ 3.74Å; Y143-F172 HydrophobicContact CG-CD1 4.39Å; L145-F172 HydrophobicContact CD2-CD1 4.07Å; L145-F172 HydrophobicContact CD2-CD2 4.22Å; L145-F172 HydrophobicContact CD2-CE1 3.82Å; L145-F172 HydrophobicContact CD2-CE2 3.97Å; L145-F172 HydrophobicContact CD2-CG 4.28Å; L145-F172 HydrophobicContact CD2-CZ 3.76Å
173M91.8Very high87.2Confident91 Ų91113.6 Ų113.645%0.44851%0.51SS..EExtended strand (participates in β ladder)trans-110.5125.8175.5-170.7-179.5-71.200111.5Y143 H144 V146Y143-M173 CarbonylContact C-O 3.54Å; Y143-M173 VanDerWaalsContact CA-O 3.27Å; Y143-M173 WeakPolarHBondContact CA-O 3.46Å; H144-M173 PolarHBondContact N-O 2.84Å; H144-M173 PolarHBondContact O-N 2.99Å; V146-M173 HydrophobicContact CB-CB 4.37Å; V146-M173 HydrophobicContact CB-CE 4.39Å; V146-M173 HydrophobicContact CG1-CE 4.02Å; V146-M173 HydrophobicContact CG2-CB 3.51Å; V146-M173 HydrophobicContact CG2-CE 4.13Å; V146-M173 HydrophobicContact CG2-CG 4.42Å; V146-M173 HydrophobicContact CG2-SD 4.16Å
174K90.9Very high86.7Confident140 Ų140118.3 Ų118.361%0.60952%0.517SS*.EExtended strand (participates in β ladder)trans-68133.8179.5-169.6174.7-177.9175.60111.5Y143 L176Y143-K174 HydrophobicContact CD1-CB 3.89Å; Y143-K174 HydrophobicContact CD1-CG 4.31Å; Y143-K174 HydrophobicContact CE1-CB 3.76Å; Y143-K174 HydrophobicContact CE1-CD 4.39Å; Y143-K174 HydrophobicContact CE1-CG 3.93Å; K174-L176 PolarHBondContact O-N 2.88Å
175R88.3Confident86.1Confident114 Ų114126.2 Ų126.243%0.4355%0.551SS.*  trans-66.6122.8175.7-69.1-179.4107.1-176.54111.1R141 T142 H144 R177R141-R175 WeakPolarHBondContact O-CD 3.16Å; R141-R175 PolarHBondContact O-NH1 2.84Å; T142-R175 VanDerWaalsContact O-CB 3.32Å; T142-R175 WeakPolarHBondContact O-CB 3.36Å; T142-R175 WeakPolarHBondContact O-CG 3.26Å; T142-R175 PolarHBondContact O-N 2.89Å; H144-R175 WeakPolarHBondContact CD2-CG 3.42Å; H144-R175 PolarHBondContact CE1-NE 3.29Å; H144-R175 WeakPolarHBondContact NE2-CG 3.29Å; H144-R175 PolarHBondContact NE2-NE 3.14Å; R175-R177 PolarHBondContact O-N 2.9Å
176L77.9Confident85.5Confident170 Ų170122.4 Ų122.489%0.8954%0.542SS*.  trans-71.8106.7166.1-61.4178.6000108.6K174 K178K174-L176 PolarHBondContact O-N 2.88Å; L176-K178 PolarHBondContact O-N 3.02Å
177R72.9Confident84.7Confident237 Ų237125.5 Ų125.589%0.89455%0.55SS**  trans-65.4121.8164.5-89178.8144.9-172-9.9108.1R175 K179R175-R177 PolarHBondContact O-N 2.9Å; R177-K179 PolarHBondContact O-N 2.91Å
178K61.5Low84Confident207 Ų207120.7 Ų120.790%0.954%0.538SS*.  trans-60.4128.5157.3-68.6-174.6176.9-177.80107.3L176L176-K178 PolarHBondContact O-N 3.02Å
179K47.5Very low82.9Confident278 Ų278128.5 Ų128.5100%1.20957%0.57SS**  trans-78.30165.4-86.2-175.2171.4-177.60109.1R177R177-K179 PolarHBondContact O-N 2.91Å

Retrieved 179 of 179 residues in 148.6 ms (Link to these results)