A0A096MID1_POEFO Loading...

Transmembrane protein 158

AlphaFold DB , UniProt , Accession A0A096MID1, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 231 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
1S51.3Low51.2Low145 Ų14596.5 Ų96.5100%1.01460%0.604SS**  0-28.2037.40000113.9
2G45.4Very low51.3Low47 Ų4793.8 Ų93.849%0.48560%0.597SS.*Hα-helixtrans-75-29.5-179.500000116.7L4 L6G2-L4 PolarHBondContact O-N 2.79Å; G2-L6 PolarHBondContact O-N 3.2Å
3T51Low51.3Low118 Ų11892.9 Ų92.972%0.72460%0.604SS**Hα-helixtrans-71.4-27.7-178.734.80000114A7T3-A7 PolarHBondContact O-N 3.41Å
4L48.9Very low51.1Low116 Ų11696.9 Ų96.961%0.60762%0.616SS**Hα-helixtrans-75.8-36.9179.7-122.2156.3000112.1G2 A7 L8G2-L4 PolarHBondContact O-N 2.79Å; L4-A7 PolarHBondContact O-N 2.93Å; L4-L8 HydrophobicContact CD2-CD1 4.34Å; L4-L8 PolarHBondContact O-N 2.99Å; L4-L8 VanDerWaalsContact O-N 3.15Å
5L51.3Low51Low123 Ų12397.9 Ų97.964%0.64461%0.614SS**Hα-helixtrans-65.1-40.7172.9-98.8146.4000111.7L8 T9L5-L8 PolarHBondContact O-N 3.03Å; L5-T9 PolarHBondContact O-N 3.19Å; L5-T9 VanDerWaalsContact O-N 3.09Å; L5-T9 PolarHBondContact O-OG1 3.22Å; L5-T9 VanDerWaalsContact O-OG1 3.09Å
6L52.1Low51Low121 Ų12198.3 Ų98.363%0.63462%0.618SS**Hα-helixtrans-65.5-38.3176.5-90.7150.3000113G2 T9 A10G2-L6 PolarHBondContact O-N 3.2Å; L6-T9 WeakPolarHBondContact CA-OG1 3.44Å; L6-T9 PolarHBondContact O-N 2.89Å; L6-T9 PolarHBondContact O-OG1 3.32Å; L6-A10 WeakPolarHBondContact O-CB 2.92Å; L6-A10 PolarHBondContact O-N 2.82Å
7A51.9Low50.5Low56 Ų5698.7 Ų98.746%0.46362%0.622SS.*Hα-helixtrans-68.4-40.1176.600000112.3T3 L4 A10 V11T3-A7 PolarHBondContact O-N 3.41Å; L4-A7 PolarHBondContact O-N 2.93Å; A7-A10 PolarHBondContact O-N 2.63Å; A7-V11 WeakPolarHBondContact O-CG2 3.44Å; A7-V11 PolarHBondContact O-N 3.14Å; A7-V11 VanDerWaalsContact O-N 3.14Å
8L51.2Low50Low107 Ų107100 Ų10056%0.5663%0.633SS**Hα-helixtrans-66.3-36.5176.2-77161000112.2L4 L5 A12L4-L8 HydrophobicContact CD2-CD1 4.34Å; L4-L8 PolarHBondContact O-N 2.99Å; L4-L8 VanDerWaalsContact O-N 3.15Å; L5-L8 PolarHBondContact O-N 3.03Å; L8-A12 PolarHBondContact O-N 3.15Å
9T55.8Low49.5Very low82 Ų82106.7 Ų106.750%0.50365%0.645SS.*Hα-helixtrans-70.6-33.917447.90000113.2L5 L6 A12 A13L5-T9 PolarHBondContact O-N 3.19Å; L5-T9 VanDerWaalsContact O-N 3.09Å; L5-T9 PolarHBondContact O-OG1 3.22Å; L5-T9 VanDerWaalsContact O-OG1 3.09Å; L6-T9 WeakPolarHBondContact CA-OG1 3.44Å; L6-T9 PolarHBondContact O-N 2.89Å; L6-T9 PolarHBondContact O-OG1 3.32Å; T9-A12 PolarHBondContact O-N 2.82Å; T9-A13 PolarHBondContact O-N 2.82Å; T9-A13 VanDerWaalsContact O-N 3.1Å
10A51.2Low48.8Very low53 Ų53104.4 Ų104.444%0.43864%0.644SS.*Hα-helixtrans-70-35.3178.100000112.3L6 A7 A13 L14L6-A10 WeakPolarHBondContact O-CB 2.92Å; L6-A10 PolarHBondContact O-N 2.82Å; A7-A10 PolarHBondContact O-N 2.63Å; A10-A13 PolarHBondContact O-N 3.17Å; A10-L14 WeakPolarHBondContact O-CG 3.3Å; A10-L14 PolarHBondContact O-N 3.29Å
11V53.3Low48.2Very low94 Ų94111.2 Ų111.257%0.5766%0.658SS**Hα-helixtrans-72.2-34.8174.6177.30000111.4A7 A13 L14A7-V11 WeakPolarHBondContact O-CG2 3.44Å; A7-V11 PolarHBondContact O-N 3.14Å; A7-V11 VanDerWaalsContact O-N 3.14Å; V11-A13 VanDerWaalsContact C-N 3.31Å; V11-A13 PolarHBondContact O-N 3.23Å; V11-L14 PolarHBondContact O-N 2.01Å
12A52.5Low47.3Very low64 Ų64107.6 Ų107.653%0.52963%0.632SS.*Hα-helixtrans-67.2-29.817400000113.3L8 T9L8-A12 PolarHBondContact O-N 3.15Å; T9-A12 PolarHBondContact O-N 2.82Å
13A51.5Low47Very low82 Ų82111.1 Ų111.168%0.67864%0.64SS**Hα-helixtrans-80.3-18.6177.900000114.1T9 A10 V11T9-A13 PolarHBondContact O-N 2.82Å; T9-A13 VanDerWaalsContact O-N 3.1Å; A10-A13 PolarHBondContact O-N 3.17Å; V11-A13 VanDerWaalsContact C-N 3.31Å; V11-A13 PolarHBondContact O-N 3.23Å
14L48.4Very low46.3Very low149 Ų149112.6 Ų112.678%0.7864%0.639SS**SBendtrans-88.4-8.9176.3-73.2166.9000113.2A10 V11A10-L14 WeakPolarHBondContact O-CG 3.3Å; A10-L14 PolarHBondContact O-N 3.29Å; V11-L14 PolarHBondContact O-N 2.01Å
15L48.8Very low45.6Very low112 Ų112114.4 Ų114.459%0.58665%0.649SS**SBendtrans-81.2122.1170.9-73.5160.3000108.3
16P50.9Low45.3Very low103 Ų103115 Ų11567%0.66965%0.652SS**PPolyproline II helixtrans-52.2132.3166.5-18.829.5000107.3C18P16-C18 PolarHBondContact O-N 3.31Å
17P43.3Very low44.7Very low106 Ų106115.5 Ų115.569%0.68866%0.655SS**PPolyproline II helixtrans-57.8116.1174.223.8-30.7000106.1R19P17-R19 HydrophobicContact CB-CG 4.38Å; P17-R19 PolarHBondContact O-N 2.81Å
18C41.8Very low44Very low122 Ų122120.3 Ų120.382%0.82467%0.672SS**  trans-65.272.1163.6-730000106.7P16 G20P16-C18 PolarHBondContact O-N 3.31Å; C18-G20 PolarHBondContact O-N 2.81Å
19R40.5Very low43.4Very low227 Ų227120 Ų12086%0.85768%0.676SS**  trans-67.183.7158.3-78-167.7173.7-156.8-1.3104.7P17 W21P17-R19 HydrophobicContact CB-CG 4.38Å; P17-R19 PolarHBondContact O-N 2.81Å; R19-W21 PolarHBondContact O-N 3.06Å
20G35Very low42.6Very low60 Ų60121.6 Ų121.662%0.61969%0.688SS**  trans-48.1126.8151.200000105.9C18 S22C18-G20 PolarHBondContact O-N 2.81Å; G20-S22 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 2.82Å
21W35.3Very low42.4Very low249 Ų249127.4 Ų127.494%0.94371%0.71SS**  trans-54103170.4-163.9-52.9000106.2R19 D23R19-W21 PolarHBondContact O-N 3.06Å; W21-D23 PolarHBondContact O-N 3.1Å
22S32.8Very low42.1Very low68 Ų68129.3 Ų129.348%0.47672%0.717SS.*  trans-71.2125.1178.8-1710000107.1G20 E24G20-S22 VanDerWaalsContact C-N 3.31Å; G20-S22 PolarHBondContact O-N 2.82Å; S22-E24 PolarHBondContact O-N 3.34Å; S22-E24 VanDerWaalsContact O-N 3.1Å; S22-E24 WeakPolarHBondContact OG-CG 3.11Å
23D40.1Very low41.1Very low121 Ų121130.8 Ų130.865%0.64772%0.723SS**G310 helixtrans-73.615.1176.5-15739.8000111.8W21W21-D23 PolarHBondContact O-N 3.1Å
24E35.7Very low40.6Very low150 Ų150131.3 Ų131.370%0.70172%0.722SS**G310 helixtrans-88.8-7.6-175.4-69.4-159.1101.500114.4S22S22-E24 PolarHBondContact O-N 3.34Å; S22-E24 VanDerWaalsContact O-N 3.1Å; S22-E24 WeakPolarHBondContact OG-CG 3.11Å
25D35.1Very low40.2Very low154 Ų154131.5 Ų131.582%0.82472%0.724SS**G310 helixtrans-91.9-0.9174.4-76.2-42.4000113.6
26L43.3Very low39.7Very low136 Ų136136.3 Ų136.371%0.71273%0.734SS**SBendtrans-982.6176.1-72.8172.1000113.7
27L39.4Very low39.1Very low130 Ų130141.3 Ų141.368%0.68175%0.746SS**  trans-96.219.4-178.9-63.8-179.5000114.2P29L27-P29 WeakPolarHBondContact O-CD 3.46Å
28L37.1Very low38.9Very low158 Ų158142 Ų14283%0.82774%0.743SS**  trans-91.299.9161.5-66.5-179.9000108.1
29P38.7Very low38.6Very low100 Ų100140.1 Ų140.165%0.64974%0.736SS**  trans-56.8142.1170.225.6-33.4000108L27 I31L27-P29 WeakPolarHBondContact O-CD 3.46Å; P29-I31 PolarHBondContact O-N 3.24Å
30P40.6Very low38.3Very low116 Ų116136 Ų13675%0.75373%0.731SS**  trans-55.7115.8169.422.4-30.1000107.9N32P30-N32 VanDerWaalsContact C-N 3.32Å; P30-N32 PolarHBondContact O-N 3.45Å
31I46.7Very low38.6Very low174 Ų174138.4 Ų138.489%0.89273%0.729SS**SBendtrans-62.8100.3171.7-62.8166.9000105.2P29P29-I31 PolarHBondContact O-N 3.24Å
32N46.6Very low38.6Very low134 Ų134132.1 Ų132.172%0.71771%0.71SS**  trans129.261.7168.3-165.310.7000113.3P30 S34P30-N32 VanDerWaalsContact C-N 3.32Å; P30-N32 PolarHBondContact O-N 3.45Å; N32-S34 PolarHBondContact OD1-OG 2.73Å
33S32Very low39.2Very low95 Ų95132.3 Ų132.366%0.66471%0.709SS**  trans-82.3103.4154.751.70000108.8N35S33-N35 VanDerWaalsContact C-N 3.34Å; S33-N35 PolarHBondContact O-N 2.8Å; S33-N35 VanDerWaalsContact O-N 3.08Å
34S40.6Very low38.8Very low93 Ų93131.9 Ų131.965%0.6571%0.706SS**  trans-78.290166.6-68.10000108.5N32 R36N32-S34 PolarHBondContact OD1-OG 2.73Å; S34-R36 PolarHBondContact O-N 2.92Å
35N39.7Very low39.1Very low154 Ų154128.8 Ų128.882%0.82470%0.698SS**  trans-62.583163.2-84.6-20.5000109.2S33S33-N35 VanDerWaalsContact C-N 3.34Å; S33-N35 PolarHBondContact O-N 2.8Å; S33-N35 VanDerWaalsContact O-N 3.08Å
36R38.7Very low39Very low213 Ų213131.1 Ų131.180%0.80470%0.695SS**  trans-119.697160.4-68.1-166.5-177.7-1611107.1S34 L38S34-R36 PolarHBondContact O-N 2.92Å; R36-L38 VanDerWaalsContact C-N 3.28Å; R36-L38 PolarHBondContact O-N 2.88Å
37F38.5Very low38.6Very low208 Ų208133.6 Ų133.691%0.91270%0.7SS**  trans-47.596.3159.1-111.2-97.5000107.9A39F37-A39 VanDerWaalsContact C-N 3.29Å; F37-A39 PolarHBondContact O-N 2.83Å
38L39.6Very low38.2Very low120 Ų120133 Ų13363%0.62871%0.707SS**  trans-85.987163.7-68.8-176.1000105.8R36 N40R36-L38 VanDerWaalsContact C-N 3.28Å; R36-L38 PolarHBondContact O-N 2.88Å; L38-N40 PolarHBondContact O-N 2.8Å
39A33.9Very low38Very low82 Ų82134.7 Ų134.768%0.67871%0.707SS**  trans-55.9123.416900000108.9F37F37-A39 VanDerWaalsContact C-N 3.29Å; F37-A39 PolarHBondContact O-N 2.83Å
40N36.1Very low37.7Very low142 Ų142140.5 Ų140.576%0.75972%0.716SS**  trans69.159.6155.3-140.610.8000117.1L38L38-N40 PolarHBondContact O-N 2.8Å
41L41.2Very low37.2Very low109 Ų109140.4 Ų140.457%0.57172%0.718SS**  trans-9786.6152.7-8692.1000109.4V43L41-V43 HydrophobicContact CB-CG2 4.29Å; L41-V43 PolarHBondContact O-N 3.08Å
42E34.5Very low36.4Very low117 Ų117138.6 Ų138.655%0.54772%0.715SS.*  trans-72.799.6161.3-161.8156.4-172.400106.8R110E42-R110 IonicContact OE1-NH1 3.92Å
43V45.7Very low35.7Very low73 Ų73141 Ų14144%0.44272%0.722SS.*  trans-91.9106.4177.6179.10000107.6L41 V45L41-V43 HydrophobicContact CB-CG2 4.29Å; L41-V43 PolarHBondContact O-N 3.08Å; V43-V45 HydrophobicContact CG1-CG2 4.19Å; V43-V45 PolarHBondContact O-N 3.24Å
44D32Very low35.6Very low112 Ų112144.7 Ų144.760%0.59973%0.729SS**  trans-69.393.1171.5-16411.7000107.8R46D44-R46 PolarHBondContact O-N 2.81Å; D44-R46 WeakPolarHBondContact OD2-CG 3.26Å; D44-R46 IonicContact OD2-CZ 3.32Å; D44-R46 IonicContact OD2-NE 2.63Å; D44-R46 PolarHBondContact OD2-NE 2.84Å; D44-R46 IonicContact OD2-NH2 2.84Å; D44-R46 PolarHBondContact OD2-NH2 3.25Å
45V41.1Very low35.1Very low85 Ų85145.9 Ų145.952%0.51574%0.737SS.*  trans-73.173.2172.8-174.40000107.4V43 F47V43-V45 HydrophobicContact CG1-CG2 4.19Å; V43-V45 PolarHBondContact O-N 3.24Å; V45-F47 PolarHBondContact O-N 2.01Å; V45-F47 VanDerWaalsContact O-N 3.1Å
46R33.2Very low34.6Very low202 Ų202146 Ų14676%0.76274%0.738SS**  trans-65.9114.4168.9-67.8-152.6-178.51642.5107.9D44 S48D44-R46 PolarHBondContact O-N 2.81Å; D44-R46 WeakPolarHBondContact OD2-CG 3.26Å; D44-R46 IonicContact OD2-CZ 3.32Å; D44-R46 IonicContact OD2-NE 2.63Å; D44-R46 PolarHBondContact OD2-NE 2.84Å; D44-R46 IonicContact OD2-NH2 2.84Å; D44-R46 PolarHBondContact OD2-NH2 3.25Å; R46-S48 PolarHBondContact O-N 3.17Å; R46-S48 VanDerWaalsContact O-N 3.08Å
47F34.5Very low34.1Very low188 Ų188140.8 Ų140.883%0.82574%0.74SS**  trans-42.3117.5164.3-72.4-93.4000109V45 K49V45-F47 PolarHBondContact O-N 2.01Å; V45-F47 VanDerWaalsContact O-N 3.1Å; F47-K49 PolarHBondContact O-N 3.01Å
48S32.3Very low33.7Very low117 Ų117136.4 Ų136.482%0.81874%0.735SS**  trans-70.472.2170.5-176.80000108.8R46 R50R46-S48 PolarHBondContact O-N 3.17Å; R46-S48 VanDerWaalsContact O-N 3.08Å; S48-R50 PolarHBondContact O-N 2.81Å; S48-R50 VanDerWaalsContact O-N 3.1Å
49K33.1Very low34.2Very low194 Ų194135.7 Ų135.784%0.84374%0.738SS**  trans-71.998.7166.4-164.8176.8-175.1-179.40105.6F47 S51F47-K49 PolarHBondContact O-N 3.01Å; K49-S51 PolarHBondContact O-N 2.8Å
50R30.6Very low33.8Very low222 Ų222140.7 Ų140.784%0.83875%0.747SS**  trans-48.9119.2171-85.5-178.7175.9149.3-1.3108S48 V52S48-R50 PolarHBondContact O-N 2.81Å; S48-R50 VanDerWaalsContact O-N 3.1Å; R50-V52 PolarHBondContact O-N 2.81Å
51S30.2Very low33.4Very low114 Ų114138.7 Ų138.780%0.79775%0.75SS**  trans-53.3119.9160.247.30000108.6K49K49-S51 PolarHBondContact O-N 2.8Å
52V31.3Very low32.8Very low136 Ų136139 Ų13982%0.82476%0.762SS**  trans-113.6110.9157.91780000104.3R50R50-V52 PolarHBondContact O-N 2.81Å
53E32.2Very low33Very low185 Ų185139 Ų13986%0.86477%0.772SS**  trans-59.1138.9171.6-82.5171.6110.500110.1S55E53-S55 PolarHBondContact O-N 2.04Å
54E29.6Very low32.4Very low172 Ų172142.8 Ų142.880%0.80479%0.789SS**  trans-54.3122.8168.2-163121.6121.700110.4
55S29.1Very low32.2Very low119 Ų119145.8 Ų145.883%0.83280%0.799SS**  trans-144.3115.1153-84.80000108.3E53E53-S55 PolarHBondContact O-N 2.04Å
56D29.5Very low31.9Very low157 Ų157146.7 Ų146.784%0.8481%0.809SS**  trans-51.5127.1179.2-78.9-52.5000113.7
57A29.2Very low31.7Very low102 Ų102144.9 Ų144.984%0.84381%0.814SS**  178.5122.4129.200000110.9
58S29.6Very low31.4Very low116 Ų116139.8 Ų139.881%0.81181%0.807SS**  trans-84.1178.9177.6-155.10000112.1
59P48.9Very low31.6Very low105 Ų105139.8 Ų139.868%0.68280%0.804SS**  cis-130.8-179.5-22.917.48.2000114.1
60E26Very low31.7Very low187 Ų187135.3 Ų135.387%0.87480%0.803SS**  trans117.9132.6143.6-62.6-161.4108.800119.2
61A28.1Very low32.2Very low100 Ų100133.3 Ų133.383%0.82680%0.803SS**  trans79.887.9169.400000118.7
62S29.2Very low33Very low116 Ų116131.5 Ų131.581%0.81179%0.791SS**  trans-98.1151138.6-58.40000107.5
63P38.1Very low34Very low116 Ų116134.3 Ų134.375%0.75380%0.795SS**  -146.715474.634.9-14.4000116.9
64L32.2Very low35.7Very low153 Ų153126.9 Ų126.980%0.80176%0.763SS**  trans66.695.4144.9-91.2150000119.4
65Q28.7Very low38Very low176 Ų176123.3 Ų123.382%0.82275%0.75SS**  -148.6111.6126-148.9109.457.700110.2L67Q65-L67 PolarHBondContact O-N 3.1Å
66S34.7Very low40.6Very low104 Ų104118.1 Ų118.173%0.72771%0.713SS**  trans-50.5111.1169.347.30000112.4
67L28.4Very low43.2Very low163 Ų163114 Ų11485%0.85369%0.693SS**  trans-100.2104.9157.8-85.390.7000108.4Q65Q65-L67 PolarHBondContact O-N 3.1Å
68A29.4Very low45.9Very low82 Ų82109.9 Ų109.968%0.67866%0.658SS**  trans-49.4153.4162.700000110.7A70A68-A70 PolarHBondContact O-N 3.08Å
69P34.8Very low48.4Very low116 Ų116108 Ų10875%0.75364%0.636SS**  trans-55.5130.1175.924-32.5000108.7Q71P69-Q71 VanDerWaalsContact C-N 3.26Å; P69-Q71 PolarHBondContact O-N 2.76Å
70A36.3Very low49.9Very low101 Ų101105 Ų10584%0.83561%0.611SS**  trans-58.790.5176.700000109.4A68 S72A68-A70 PolarHBondContact O-N 3.08Å; A70-S72 PolarHBondContact O-N 2.81Å
71Q41.2Very low52.1Low179 Ų179100.1 Ų100.184%0.83659%0.59SS**  trans-6293.4156.5-70178.1-20.200104.6P69 Q73P69-Q71 VanDerWaalsContact C-N 3.26Å; P69-Q71 PolarHBondContact O-N 2.76Å; Q71-Q73 PolarHBondContact O-N 3.24Å; Q71-Q73 VanDerWaalsContact O-N 3.08Å
72S45.8Very low54.2Low77 Ų77100 Ų10054%0.53858%0.575SS.*  trans-46.2120.9167.345.80000106.7A70 C74A70-S72 PolarHBondContact O-N 2.81Å; S72-C74 VanDerWaalsContact O-CB 3.31Å; S72-C74 WeakPolarHBondContact O-CB 3.31Å; S72-C74 PolarHBondContact O-N 2.85Å
73Q53.1Low56.2Low194 Ų19498.8 Ų98.891%0.90757%0.565SS**  trans-61.484.8177.4-74.2174.7-1.500108.5Q71Q71-Q73 PolarHBondContact O-N 3.24Å; Q71-Q73 VanDerWaalsContact O-N 3.08Å
74C68.1Low57.9Low30 Ų3096.6 Ų96.620%0.20355%0.549CS..  trans-97.9108.8-174-101.90000105.5S72 V76 C169S72-C74 VanDerWaalsContact O-CB 3.31Å; S72-C74 WeakPolarHBondContact O-CB 3.31Å; S72-C74 PolarHBondContact O-N 2.85Å; C74-V76 PolarHBondContact O-N 2.81Å; C74-C169 VanDerWaalsContact CA-SG 3.57Å; C74-C169 HydrophobicContact CB-CB 4.4Å; C74-C169 WeakPolarHBondContact CB-SG 3.34Å; C74-C169 VanDerWaalsContact SG-CA 3.53Å; C74-C169 WeakPolarHBondContact SG-CB 3.41Å; C74-C169 CovalentContact SG-SG 2.01Å; C74-C169 PolarHBondContact SG-SG 3.28Å
75N78.7Confident60.1Low97 Ų9789.6 Ų89.652%0.51951%0.513SS..  trans-74.154.6177.9-71-8.2000110.9W90 D91 F94N75-W90 VanDerWaalsContact O-CA 3.3Å; N75-W90 WeakPolarHBondContact O-CA 3.3Å; N75-D91 HydrophobicContact CB-CB 3.88Å; N75-D91 PolarHBondContact O-N 2.81Å; N75-D91 VanDerWaalsContact O-N 3.17Å; N75-F94 HydrophobicContact CB-CE2 3.9Å; N75-F94 HydrophobicContact CB-CZ 4.4Å
76V82.3Confident62.7Low10 Ų1081.2 Ų81.26%0.06147%0.474CS..EExtended strand (participates in β ladder)trans-116.9117.6176.2-177.80000106.9C74 R89 W90 F94 L140 V142 C169 V171C74-V76 PolarHBondContact O-N 2.81Å; V76-R89 CarbonylContact C-O 3.59Å; V76-R89 VanDerWaalsContact CA-O 3.3Å; V76-R89 WeakPolarHBondContact CA-O 3.32Å; V76-W90 HydrophobicContact CG2-CB 3.97Å; V76-F94 HydrophobicContact CG2-CE2 4.44Å; V76-F94 HydrophobicContact CG2-CZ 4.27Å; V76-L140 HydrophobicContact CG1-CD2 3.98Å; V76-V142 HydrophobicContact CG1-CG2 4.05Å; V76-V142 HydrophobicContact CG2-CB 4.47Å; V76-V142 HydrophobicContact CG2-CG2 4.2Å; V76-C169 VanDerWaalsContact CG2-SG 3.53Å; V76-V171 HydrophobicContact CB-CG2 3.92Å; V76-V171 HydrophobicContact CG1-CG2 4.27Å
77T85.2Confident65.2Low70 Ų7076.6 Ų76.643%0.42944%0.441SS..EExtended strand (participates in β ladder)trans-111134.8175.758.60000109.7R89T77-R89 PolarHBondContact N-O 2.85Å; T77-R89 PolarHBondContact O-N 2.9Å
78V86.2Confident68Low15 Ų1568.8 Ų68.89%0.09140%0.401CS..EExtended strand (participates in β ladder)trans-114.8134.1176.9-179.30000107.6L86 V87 L140 F173 L178V78-L86 HydrophobicContact CG1-CB 4.41Å; V78-L86 HydrophobicContact CG1-CD1 4.42Å; V78-L86 HydrophobicContact CG1-CD2 4.01Å; V78-V87 WeakPolarHBondContact CA-O 3.35Å; V78-L140 HydrophobicContact CG2-CD1 4.35Å; V78-F173 HydrophobicContact CB-CD1 4.27Å; V78-F173 HydrophobicContact CB-CE1 4.26Å; V78-F173 HydrophobicContact CG1-CD1 4.23Å; V78-F173 HydrophobicContact CG1-CE1 3.9Å; V78-F173 HydrophobicContact CG1-CE2 4.26Å; V78-F173 HydrophobicContact CG1-CZ 3.9Å; V78-F173 HydrophobicContact CG2-CD1 4.16Å; V78-F173 HydrophobicContact CG2-CE1 3.95Å; V78-L178 HydrophobicContact CG1-CD1 4.23Å; V78-L178 HydrophobicContact CG1-CD2 4.35Å; V78-L178 WeakPolarHBondContact O-CD2 2.95Å
79H82.2Confident70.7Confident78 Ų7870.3 Ų70.336%0.36139%0.389SS..EExtended strand (participates in β ladder)trans-131.3145.3176.9-67-62.5000110.5L86 V87H79-L86 CarbonylContact O-C 3.52Å; H79-L86 WeakPolarHBondContact O-CA 3.26Å; H79-V87 PolarHBondContact N-O 3.23Å; H79-V87 PolarHBondContact O-N 2.72Å
80R80.5Confident73.2Confident42 Ų4265.3 Ų65.316%0.15836%0.355CS..EExtended strand (participates in β ladder)trans-94119.7176.1-169.2172.8-171.4-172.12.8110.7L82 P83 L86 L175 L178R80-L82 WeakPolarHBondContact CG-O 3.07Å; R80-P83 PolarHBondContact NE-O 3.39Å; R80-P83 PolarHBondContact NH2-O 3.21Å; R80-L86 HydrophobicContact CB-CD2 3.86Å; R80-L86 HydrophobicContact CG-CD2 4.12Å; R80-L175 PolarHBondContact NH1-O 3.14Å; R80-L178 HydrophobicContact CB-CB 3.82Å
81L71.6Confident75.1Confident83 Ų8363.6 Ų63.644%0.43533%0.332SS..EExtended strand (participates in β ladder)trans-92.9-49.8-177.1-157.774.7000110.5S85 V87L81-S85 PolarHBondContact N-O 2.97Å; L81-V87 HydrophobicContact CB-CG2 4.06Å; L81-V87 HydrophobicContact CD1-CG2 4.31Å; L81-V87 HydrophobicContact CD2-CG2 4.06Å; L81-V87 HydrophobicContact CG-CG2 4.39Å
82L72.7Confident76.5Confident97 Ų9759.8 Ų59.851%0.50833%0.325SS..EExtended strand (participates in β ladder)trans-125.5168.1171.8-68.687.4000110R80 T84 S85R80-L82 WeakPolarHBondContact CG-O 3.07Å; L82-T84 PolarHBondContact O-N 3.32Å; L82-T84 VanDerWaalsContact O-N 3.07Å; L82-S85 VanDerWaalsContact CB-OG 3.24Å; L82-S85 WeakPolarHBondContact CB-OG 3.39Å; L82-S85 VanDerWaalsContact CD1-OG 3.24Å; L82-S85 WeakPolarHBondContact CD1-OG 3.35Å; L82-S85 PolarHBondContact N-O 2.77Å; L82-S85 PolarHBondContact N-OG 2.67Å; L82-S85 PolarHBondContact O-N 3.08Å; L82-S85 VanDerWaalsContact O-N 3.11Å
83P71.4Confident77.6Confident91 Ų9160 Ų6059%0.59133%0.326SS*.THydrogen-bonded Turntrans-53.4-31.1177-28.136.5000113.8R80R80-P83 PolarHBondContact NE-O 3.39Å; R80-P83 PolarHBondContact NH2-O 3.21Å
84T72.6Confident78.3Confident70 Ų7053 Ų5343%0.42929%0.293SS..THydrogen-bonded Turntrans-111.28.7-179.253.20000113.4L82 H128 L129 V131L82-T84 PolarHBondContact O-N 3.32Å; L82-T84 VanDerWaalsContact O-N 3.07Å; T84-H128 PolarHBondContact O-N 2.95Å; T84-H128 VanDerWaalsContact O-N 3.16Å; T84-L129 PolarHBondContact O-N 2.84Å; T84-V131 HydrophobicContact CG2-CG2 4.37Å
85S77.7Confident78.3Confident6 Ų653 Ų534%0.04230%0.298CS..EExtended strand (participates in β ladder)trans-131.9141.1-178.776.10000114L81 L82 I126L81-S85 PolarHBondContact N-O 2.97Å; L82-S85 VanDerWaalsContact CB-OG 3.24Å; L82-S85 WeakPolarHBondContact CB-OG 3.39Å; L82-S85 VanDerWaalsContact CD1-OG 3.24Å; L82-S85 WeakPolarHBondContact CD1-OG 3.35Å; L82-S85 PolarHBondContact N-O 2.77Å; L82-S85 PolarHBondContact N-OG 2.67Å; L82-S85 PolarHBondContact O-N 3.08Å; L82-S85 VanDerWaalsContact O-N 3.11Å; S85-I126 CarbonylContact C-O 3.51Å; S85-I126 VanDerWaalsContact CA-O 3.22Å; S85-I126 WeakPolarHBondContact CA-O 3.5Å; S85-I126 WeakPolarHBondContact CB-O 3.22Å
86L84.9Confident77.7Confident1 Ų157 Ų571%0.00531%0.311CS..EExtended strand (participates in β ladder)trans-122.3153.2177.7-68.2166.5000109.9V78 H79 R80 I126 L129 M138 F173 L178V78-L86 HydrophobicContact CG1-CB 4.41Å; V78-L86 HydrophobicContact CG1-CD1 4.42Å; V78-L86 HydrophobicContact CG1-CD2 4.01Å; H79-L86 CarbonylContact O-C 3.52Å; H79-L86 WeakPolarHBondContact O-CA 3.26Å; R80-L86 HydrophobicContact CB-CD2 3.86Å; R80-L86 HydrophobicContact CG-CD2 4.12Å; L86-I126 PolarHBondContact N-O 2.84Å; L86-I126 PolarHBondContact O-N 2.88Å; L86-L129 HydrophobicContact CB-CD1 4.04Å; L86-L129 HydrophobicContact CD1-CD1 3.18Å; L86-L129 HydrophobicContact CD1-CD2 4.23Å; L86-L129 HydrophobicContact CD1-CG 4.32Å; L86-L129 HydrophobicContact CD2-CD1 4.45Å; L86-L129 HydrophobicContact CG-CD1 3.27Å; L86-M138 HydrophobicContact CD1-CE 4.44Å; L86-F173 HydrophobicContact CD1-CE2 3.56Å; L86-F173 HydrophobicContact CD1-CZ 3.65Å; L86-F173 HydrophobicContact CD2-CE2 4.41Å; L86-L178 HydrophobicContact CD2-CD1 3.86Å
87V86.5Confident77.5Confident6 Ų661 Ų614%0.03633%0.33CS..EExtended strand (participates in β ladder)trans-120.3119.2170.11790000107.5V78 H79 L81 R89 P123 V124 V125V78-V87 WeakPolarHBondContact CA-O 3.35Å; H79-V87 PolarHBondContact N-O 3.23Å; H79-V87 PolarHBondContact O-N 2.72Å; L81-V87 HydrophobicContact CB-CG2 4.06Å; L81-V87 HydrophobicContact CD1-CG2 4.31Å; L81-V87 HydrophobicContact CD2-CG2 4.06Å; L81-V87 HydrophobicContact CG-CG2 4.39Å; V87-R89 HydrophobicContact CG1-CG 4.2Å; V87-P123 HydrophobicContact CG1-CB 4.14Å; V87-V124 CarbonylContact C-O 3.57Å; V87-V124 VanDerWaalsContact CA-O 3.31Å; V87-V124 WeakPolarHBondContact CA-O 3.23Å; V87-V125 HydrophobicContact CG2-CG2 4.22Å
88A87.8Confident77.4Confident0 Ų057.7 Ų57.70%031%0.309CS..EExtended strand (participates in β ladder)trans-99.6128.7172.700000109W90 P123 V124 L140A88-W90 HydrophobicContact CB-CZ3 4.45Å; A88-P123 WeakPolarHBondContact O-CA 3.28Å; A88-V124 PolarHBondContact N-O 2.9Å; A88-V124 PolarHBondContact O-N 2.79Å; A88-L140 HydrophobicContact CB-CD1 3.65Å; A88-L140 HydrophobicContact CB-CD2 4.33Å
89R86.6Confident77.4Confident113 Ų11359.6 Ų59.643%0.42632%0.319SS..EExtended strand (participates in β ladder)trans-120137.4173-55.5-155160.585.41.2108.7V76 T77 V87 P123V76-R89 CarbonylContact C-O 3.59Å; V76-R89 VanDerWaalsContact CA-O 3.3Å; V76-R89 WeakPolarHBondContact CA-O 3.32Å; T77-R89 PolarHBondContact N-O 2.85Å; T77-R89 PolarHBondContact O-N 2.9Å; V87-R89 HydrophobicContact CG1-CG 4.2Å; R89-P123 HydrophobicContact CG-CB 3.8Å
90W85.8Confident77.7Confident12 Ų1255.9 Ų55.95%0.04530%0.302CS..EExtended strand (participates in β ladder)trans-131156.9167.958.290.7000110N75 V76 A88 F94 C98 V100 A120 S122 V124 V142N75-W90 VanDerWaalsContact O-CA 3.3Å; N75-W90 WeakPolarHBondContact O-CA 3.3Å; V76-W90 HydrophobicContact CG2-CB 3.97Å; A88-W90 HydrophobicContact CB-CZ3 4.45Å; W90-F94 HydrophobicContact CB-CD2 4.04Å; W90-F94 HydrophobicContact CB-CE2 4.26Å; W90-C98 HydrophobicContact CZ2-CB 3.76Å; W90-C98 PolarHBondContact NE1-SG 2.68Å; W90-V100 HydrophobicContact CH2-CG2 3.56Å; W90-V100 HydrophobicContact CZ2-CG2 4.43Å; W90-V100 HydrophobicContact CZ3-CG2 3.71Å; W90-A120 HydrophobicContact CH2-CB 4.08Å; W90-S122 PolarHBondContact N-OG 3.49Å; W90-S122 WeakPolarHBondContact O-CB 2.79Å; W90-S122 PolarHBondContact O-OG 2.77Å; W90-V124 HydrophobicContact CH2-CB 4.29Å; W90-V124 HydrophobicContact CH2-CG2 3.32Å; W90-V124 HydrophobicContact CZ2-CG2 4.41Å; W90-V124 HydrophobicContact CZ3-CB 4.19Å; W90-V124 HydrophobicContact CZ3-CG2 3.7Å; W90-V142 HydrophobicContact CD2-CG1 4.04Å; W90-V142 HydrophobicContact CE3-CG1 4.33Å; W90-V142 HydrophobicContact CE3-CG2 4.15Å; W90-V142 HydrophobicContact CG-CG1 4.28Å
91D76.9Confident78Confident64 Ų6455.4 Ų55.434%0.34230%0.302SS..  trans-64.1149.6179.2-175.621.8000111.8N75 S93 F94N75-D91 HydrophobicContact CB-CB 3.88Å; N75-D91 PolarHBondContact O-N 2.81Å; N75-D91 VanDerWaalsContact O-N 3.17Å; D91-S93 VanDerWaalsContact CG-OG 3.27Å; D91-S93 PolarHBondContact O-N 2.88Å; D91-S93 VanDerWaalsContact OD2-CB 3.31Å; D91-S93 WeakPolarHBondContact OD2-CB 3.07Å; D91-S93 PolarHBondContact OD2-OG 2.63Å; D91-F94 HydrophobicContact CB-CD2 4.14Å; D91-F94 HydrophobicContact CB-CE2 4.18Å; D91-F94 VanDerWaalsContact O-CD2 3.32Å; D91-F94 WeakPolarHBondContact O-CD2 3.31Å; D91-F94 PolarHBondContact O-N 3.35Å
92S71.3Confident78.9Confident99 Ų9951.4 Ų51.469%0.69228%0.281SS*.G310 helixtrans-61.3-20.9175.961.90000113.3F94 G95S92-F94 PolarHBondContact O-N 2.92Å; S92-G95 PolarHBondContact O-N 2.8Å; S92-G95 VanDerWaalsContact O-N 3.14Å
93S67.8Low79.5Confident82 Ų8249.1 Ų49.157%0.57327%0.266SS*.G310 helixtrans-61.2-23.4177.157.60000114D91 G95D91-S93 VanDerWaalsContact CG-OG 3.27Å; D91-S93 PolarHBondContact O-N 2.88Å; D91-S93 VanDerWaalsContact OD2-CB 3.31Å; D91-S93 WeakPolarHBondContact OD2-CB 3.07Å; D91-S93 PolarHBondContact OD2-OG 2.63Å; S93-G95 VanDerWaalsContact C-N 3.34Å
94F67.7Low80.2Confident46 Ų4646.1 Ų46.120%0.20225%0.246CC..G310 helixtrans-74.6-23.7177.3-67.2-88.4000113.1N75 V76 W90 D91 S92 C144 C169N75-F94 HydrophobicContact CB-CE2 3.9Å; N75-F94 HydrophobicContact CB-CZ 4.4Å; V76-F94 HydrophobicContact CG2-CE2 4.44Å; V76-F94 HydrophobicContact CG2-CZ 4.27Å; W90-F94 HydrophobicContact CB-CD2 4.04Å; W90-F94 HydrophobicContact CB-CE2 4.26Å; D91-F94 HydrophobicContact CB-CD2 4.14Å; D91-F94 HydrophobicContact CB-CE2 4.18Å; D91-F94 VanDerWaalsContact O-CD2 3.32Å; D91-F94 WeakPolarHBondContact O-CD2 3.31Å; D91-F94 PolarHBondContact O-N 3.35Å; S92-F94 PolarHBondContact O-N 2.92Å; F94-C144 HydrophobicContact CB-CB 4.03Å; F94-C144 WeakPolarHBondContact CB-SG 3.46Å; F94-C144 WeakPolarHBondContact O-CB 3.3Å; F94-C169 HydrophobicContact CE1-CB 4.13Å
95G67.8Low80.7Confident30 Ų3044.2 Ų44.231%0.30923%0.234SC..  trans116.1174179.100000114.4S92 S93S92-G95 PolarHBondContact O-N 2.8Å; S92-G95 VanDerWaalsContact O-N 3.14Å; S93-G95 VanDerWaalsContact C-N 3.34Å
96F67.1Low80.7Confident181 Ų18147.4 Ų47.479%0.79425%0.251SS*.SBendtrans-85.4-15.8-170.2-58.8-73.8000115I121F96-I121 VanDerWaalsContact O-CG1 3.3Å; F96-I121 WeakPolarHBondContact O-CG1 3.3Å
97Q77.8Confident80.1Confident96 Ų9653.6 Ų53.645%0.44928%0.284SS..  trans-138.2111.6-179.3-72.8-179.37.500108.9R119Q97-R119 HydrophobicContact CB-CB 4.09Å; Q97-R119 HydrophobicContact CB-CG 4.39Å; Q97-R119 HydrophobicContact CG-CB 4.19Å
98C83.4Confident79.4Confident0 Ų060.7 Ų60.70%032%0.316CS..EExtended strand (participates in β ladder)trans-123.8141-174.3-58.90000110.9W90 R119 A120 V142 C144W90-C98 HydrophobicContact CZ2-CB 3.76Å; W90-C98 PolarHBondContact NE1-SG 2.68Å; C98-R119 CarbonylContact O-C 3.52Å; C98-R119 WeakPolarHBondContact O-CA 3.43Å; C98-R119 PolarHBondContact O-N 3.44Å; C98-A120 PolarHBondContact N-O 3.46Å; C98-A120 PolarHBondContact O-N 3.4Å; C98-V142 HydrophobicContact CB-CG1 3.74Å; C98-C144 HydrophobicContact CB-CB 4Å; C98-C144 WeakPolarHBondContact CB-SG 3.07Å; C98-C144 WeakPolarHBondContact SG-CB 3.27Å; C98-C144 CovalentContact SG-SG 2.01Å; C98-C144 PolarHBondContact SG-SG 2.83Å
99D85.4Confident78.5Confident55 Ų5563.9 Ų63.929%0.29435%0.349SS..EExtended strand (participates in β ladder)trans-90.2121.6171.5-62-25.3000108F117 N118 R119 V142 G143D99-F117 CarbonylContact C-O 3.54Å; D99-F117 WeakPolarHBondContact CA-O 3.5Å; D99-N118 VanDerWaalsContact OD1-CA 3.26Å; D99-N118 WeakPolarHBondContact OD1-CA 3.07Å; D99-R119 PolarHBondContact OD1-N 3.11Å; D99-V142 WeakPolarHBondContact O-CA 3.45Å; D99-G143 PolarHBondContact N-O 2.68Å; D99-G143 PolarHBondContact O-N 2.89Å
100V88.1Confident78.1Confident0 Ų065.9 Ų65.90%036%0.357CS..EExtended strand (participates in β ladder)trans-107.3129.1179.8-175.80000108.5W90 S116 F117 A120 L140 C141 V142W90-V100 HydrophobicContact CH2-CG2 3.56Å; W90-V100 HydrophobicContact CZ2-CG2 4.43Å; W90-V100 HydrophobicContact CZ3-CG2 3.71Å; V100-S116 CarbonylContact O-C 3.57Å; V100-S116 VanDerWaalsContact O-CA 3.26Å; V100-S116 WeakPolarHBondContact O-CA 3.31Å; V100-F117 HydrophobicContact CB-CB 4.21Å; V100-F117 HydrophobicContact CB-CD2 4.38Å; V100-F117 HydrophobicContact CG1-CD2 4.5Å; V100-F117 PolarHBondContact N-O 2.93Å; V100-F117 PolarHBondContact O-N 2.98Å; V100-A120 HydrophobicContact CG2-CB 4.12Å; V100-L140 HydrophobicContact CG1-CD1 4.04Å; V100-L140 HydrophobicContact CG1-CD2 4.08Å; V100-L140 HydrophobicContact CG1-CG 3.93Å; V100-C141 CarbonylContact C-O 3.53Å; V100-C141 WeakPolarHBondContact CA-O 3.31Å; V100-V142 HydrophobicContact CG1-CG2 4.48Å; V100-V142 HydrophobicContact CG2-CG1 4.38Å; V100-V142 HydrophobicContact CG2-CG2 4.29Å
101L87.8Confident77.9Confident31 Ų3166.3 Ų66.316%0.16236%0.363CS..EExtended strand (participates in β ladder)trans-122.7133.5-179.5-60.2165.4000108.6Y103 F113 L140 C141 F168L101-Y103 HydrophobicContact CB-CE2 3.65Å; L101-F113 HydrophobicContact CD2-CE2 4.2Å; L101-L140 CarbonylContact O-C 3.59Å; L101-L140 WeakPolarHBondContact O-CA 3.4Å; L101-C141 HydrophobicContact CB-CB 4.35Å; L101-C141 PolarHBondContact N-O 3.1Å; L101-C141 PolarHBondContact O-N 3.41Å; L101-F168 HydrophobicContact CD1-CD1 4.03Å; L101-F168 HydrophobicContact CD1-CE1 3.62Å; L101-F168 HydrophobicContact CD1-CZ 4.11Å; L101-F168 HydrophobicContact CG-CE1 4.45Å
102V89.1Confident78.2Confident0 Ų067.5 Ų67.50%037%0.365CS..EExtended strand (participates in β ladder)trans-120.9129.1-179.7-172.10000109S114 A115 F117 I126 M138 L140V102-S114 WeakPolarHBondContact O-CB 3.07Å; V102-S114 PolarHBondContact O-N 2.83Å; V102-A115 HydrophobicContact CB-CB 4.3Å; V102-A115 HydrophobicContact CG2-CB 4.44Å; V102-A115 PolarHBondContact N-O 2.86Å; V102-A115 PolarHBondContact O-N 2.81Å; V102-F117 HydrophobicContact CG2-CE2 4.49Å; V102-I126 HydrophobicContact CG2-CD1 3.93Å; V102-M138 HydrophobicContact CG1-CE 3.59Å; V102-L140 HydrophobicContact CG2-CD1 4.24Å; V102-L140 HydrophobicContact CG2-CG 4.49Å
103Y86.9Confident78.8Confident49 Ų4966.4 Ų66.419%0.19235%0.348CS..EExtended strand (participates in β ladder)trans-123.8143.2177.6-55.3-89.2000109.8L101 F112 F113 M138 R139L101-Y103 HydrophobicContact CB-CE2 3.65Å; Y103-F112 CarbonylContact C-O 3.49Å; Y103-F112 VanDerWaalsContact CA-O 3.22Å; Y103-F112 WeakPolarHBondContact CA-O 3.09Å; Y103-F113 HydrophobicContact CD1-CB 4.35Å; Y103-F113 HydrophobicContact CD1-CD2 4.35Å; Y103-F113 HydrophobicContact CE1-CB 4.38Å; Y103-F113 AromaticContact CE1-CD2 3.91Å; Y103-F113 HydrophobicContact CE1-CD2 3.91Å; Y103-M138 CarbonylContact O-C 3.53Å; Y103-M138 VanDerWaalsContact O-CA 3.32Å; Y103-M138 WeakPolarHBondContact O-CA 3.37Å; Y103-R139 PolarHBondContact N-O 3.04Å; Y103-R139 PolarHBondContact O-N 3.49Å
104T86.3Confident79.5Confident28 Ų2865 Ų6517%0.17234%0.339CS..EExtended strand (participates in β ladder)trans-87.6126.4161.442.90000107.7A111 F112 S114 M138T104-A111 CarbonylContact O-C 3.36Å; T104-A111 VanDerWaalsContact O-CA 3.27Å; T104-A111 WeakPolarHBondContact O-CA 3.42Å; T104-F112 PolarHBondContact N-O 2.83Å; T104-F112 PolarHBondContact O-N 3.1Å; T104-F112 WeakPolarHBondContact OG1-CB 3.47Å; T104-F112 PolarHBondContact OG1-O 2.75Å; T104-S114 WeakPolarHBondContact CG2-OG 3.3Å; T104-S114 PolarHBondContact N-OG 3.33Å; T104-M138 HydrophobicContact CG2-SD 3.34Å; T104-M138 WeakPolarHBondContact CG2-SD 3.35Å
105T83.2Confident80.4Confident29 Ų2964.1 Ų64.118%0.17834%0.34CS..EExtended strand (participates in β ladder)trans-104.2140.8174.760.30000108.8A111 E137 R139T105-A111 HydrophobicContact CG2-CB 4.22Å; T105-E137 PolarHBondContact N-O 3.4Å; T105-E137 VanDerWaalsContact O-O 3.08Å; T105-E137 WeakPolarHBondContact OG1-CB 3.22Å; T105-E137 PolarHBondContact OG1-O 3.37Å; T105-R139 HydrophobicContact CG2-CB 3.81Å
106N77.6Confident81.3Confident74 Ų7465.2 Ų65.240%0.39634%0.343SS..  trans-110149.6169.5-170.7-22.9000108.2H108 G109 R110N106-H108 PolarHBondContact O-N 3.24Å; N106-H108 PolarHBondContact OD1-CD2 3.32Å; N106-H108 PolarHBondContact OD1-N 3.25Å; N106-G109 PolarHBondContact O-N 2.8Å; N106-R110 PolarHBondContact N-O 3.25Å
107N71.6Confident82.2Confident130 Ų13059.7 Ų59.770%0.69532%0.319SS*.THydrogen-bonded Turntrans-50.9-19.6173.3-58-2.1000113.2G109 E137N107-G109 PolarHBondContact O-N 2.83Å; N107-E137 PolarHBondContact OD1-OE1 2.84Å; N107-E137 PolarHBondContact OD1-OE2 3.09Å
108H71.7Confident82.6Confident155 Ų15560.6 Ų60.672%0.71833%0.326SS*.THydrogen-bonded Turntrans-75.95.9172.3-64.2-64.5000114.9N106 R110N106-H108 PolarHBondContact O-N 3.24Å; N106-H108 PolarHBondContact OD1-CD2 3.32Å; N106-H108 PolarHBondContact OD1-N 3.25Å; H108-R110 PolarHBondContact O-N 3.39Å
109G68.7Low82.5Confident67 Ų6767.6 Ų67.669%0.69135%0.353SS*.SBendtrans74.110.1179.400000114.3N106 N107N106-G109 PolarHBondContact O-N 2.8Å; N107-G109 PolarHBondContact O-N 2.83Å
110R77.8Confident82.5Confident155 Ų15565.7 Ų65.759%0.58534%0.344SS*.  trans-91.1134.2173.5-62.3-170.7-175.9-161.63.9109.4E42 N106 H108 F112E42-R110 IonicContact OE1-NH1 3.92Å; N106-R110 PolarHBondContact N-O 3.25Å; H108-R110 PolarHBondContact O-N 3.39Å; R110-F112 HydrophobicContact CB-CE2 4.03Å; R110-F112 HydrophobicContact CB-CZ 4.22Å
111A81.4Confident82.2Confident22 Ų2271.2 Ų71.218%0.18237%0.373CS..EExtended strand (participates in β ladder)trans-113.9125.9173.200000109.1T104 T105T104-A111 CarbonylContact O-C 3.36Å; T104-A111 VanDerWaalsContact O-CA 3.27Å; T104-A111 WeakPolarHBondContact O-CA 3.42Å; T105-A111 HydrophobicContact CG2-CB 4.22Å
112F83.9Confident82Confident88 Ų8871.6 Ų71.639%0.38638%0.378SS..EExtended strand (participates in β ladder)trans-106.2133.4174.8-58.2-85.5000109.6Y103 T104 R110 S114Y103-F112 CarbonylContact C-O 3.49Å; Y103-F112 VanDerWaalsContact CA-O 3.22Å; Y103-F112 WeakPolarHBondContact CA-O 3.09Å; T104-F112 PolarHBondContact N-O 2.83Å; T104-F112 PolarHBondContact O-N 3.1Å; T104-F112 WeakPolarHBondContact OG1-CB 3.47Å; T104-F112 PolarHBondContact OG1-O 2.75Å; R110-F112 HydrophobicContact CB-CE2 4.03Å; R110-F112 HydrophobicContact CB-CZ 4.22Å; F112-S114 PolarHBondContact O-N 2.82Å
113F83.4Confident81.8Confident76 Ų7675.1 Ų75.133%0.33340%0.401SS..EExtended strand (participates in β ladder)trans-65.2130.4176.7178.6-97.3000110.7L101 Y103 A115L101-F113 HydrophobicContact CD2-CE2 4.2Å; Y103-F113 HydrophobicContact CD1-CB 4.35Å; Y103-F113 HydrophobicContact CD1-CD2 4.35Å; Y103-F113 HydrophobicContact CE1-CB 4.38Å; Y103-F113 AromaticContact CE1-CD2 3.91Å; Y103-F113 HydrophobicContact CE1-CD2 3.91Å; F113-A115 WeakPolarHBondContact CE2-O 3.47Å
114S83.4Confident81.8Confident54 Ų5473.5 Ų73.538%0.37840%0.396SS..EExtended strand (participates in β ladder)trans-109.9-52.7-179.5-62.10000112.2V102 T104 F112V102-S114 WeakPolarHBondContact O-CB 3.07Å; V102-S114 PolarHBondContact O-N 2.83Å; T104-S114 WeakPolarHBondContact CG2-OG 3.3Å; T104-S114 PolarHBondContact N-OG 3.33Å; F112-S114 PolarHBondContact O-N 2.82Å
115A85.9Confident81.8Confident27 Ų2775.8 Ų75.822%0.22341%0.41CS..EExtended strand (participates in β ladder)trans-155.6156.2-17700000111.7V102 F113 F117V102-A115 HydrophobicContact CB-CB 4.3Å; V102-A115 HydrophobicContact CG2-CB 4.44Å; V102-A115 PolarHBondContact N-O 2.86Å; V102-A115 PolarHBondContact O-N 2.81Å; F113-A115 WeakPolarHBondContact CE2-O 3.47Å; A115-F117 HydrophobicContact CB-CE2 3.99Å; A115-F117 HydrophobicContact CB-CZ 4.39Å
116S86.6Confident81.9Confident53 Ų5374.5 Ų74.537%0.37140%0.402SS..EExtended strand (participates in β ladder)trans-137.4143.6169.361.10000111.6V100V100-S116 CarbonylContact O-C 3.57Å; V100-S116 VanDerWaalsContact O-CA 3.26Å; V100-S116 WeakPolarHBondContact O-CA 3.31Å
117F86.1Confident82.1Confident65 Ų6577.1 Ų77.129%0.28541%0.412SS..EExtended strand (participates in β ladder)trans-127.7110.6176.5-55.8-91.4000107.9D99 V100 V102 A115 A120 V124 I126D99-F117 CarbonylContact C-O 3.54Å; D99-F117 WeakPolarHBondContact CA-O 3.5Å; V100-F117 HydrophobicContact CB-CB 4.21Å; V100-F117 HydrophobicContact CB-CD2 4.38Å; V100-F117 HydrophobicContact CG1-CD2 4.5Å; V100-F117 PolarHBondContact N-O 2.93Å; V100-F117 PolarHBondContact O-N 2.98Å; V102-F117 HydrophobicContact CG2-CE2 4.49Å; A115-F117 HydrophobicContact CB-CE2 3.99Å; A115-F117 HydrophobicContact CB-CZ 4.39Å; F117-A120 HydrophobicContact CB-CB 4Å; F117-V124 HydrophobicContact CD1-CG1 4.5Å; F117-V124 HydrophobicContact CG-CG1 4.43Å; F117-I126 HydrophobicContact CD2-CG1 4.44Å; F117-I126 HydrophobicContact CE2-CB 4.36Å; F117-I126 HydrophobicContact CE2-CD1 4.05Å; F117-I126 HydrophobicContact CE2-CG1 3.68Å; F117-I126 HydrophobicContact CE2-CG2 3.97Å; F117-I126 HydrophobicContact CZ-CB 4.27Å; F117-I126 HydrophobicContact CZ-CG1 3.93Å; F117-I126 HydrophobicContact CZ-CG2 3.91Å
118N85.6Confident82.3Confident114 Ų11478.4 Ų78.461%0.6141%0.413SS*.EExtended strand (participates in β ladder)trans-88.3139.2179.9-59.9-55.2000110.2D99 A120D99-N118 VanDerWaalsContact OD1-CA 3.26Å; D99-N118 WeakPolarHBondContact OD1-CA 3.07Å; N118-A120 PolarHBondContact O-N 2.81Å
119R83Confident82.3Confident148 Ų14871.7 Ų71.756%0.55838%0.382SS*.EExtended strand (participates in β ladder)trans52.936.5179.4-54.9179.9-179.4169.64.4113.9Q97 C98 D99Q97-R119 HydrophobicContact CB-CB 4.09Å; Q97-R119 HydrophobicContact CB-CG 4.39Å; Q97-R119 HydrophobicContact CG-CB 4.19Å; C98-R119 CarbonylContact O-C 3.52Å; C98-R119 WeakPolarHBondContact O-CA 3.43Å; C98-R119 PolarHBondContact O-N 3.44Å; D99-R119 PolarHBondContact OD1-N 3.11Å
120A84.4Confident82.2Confident14 Ų1471.4 Ų71.412%0.11638%0.379CS..EExtended strand (participates in β ladder)trans-71.8153.5176.200000111.2W90 C98 V100 F117 N118 V124W90-A120 HydrophobicContact CH2-CB 4.08Å; C98-A120 PolarHBondContact N-O 3.46Å; C98-A120 PolarHBondContact O-N 3.4Å; V100-A120 HydrophobicContact CG2-CB 4.12Å; F117-A120 HydrophobicContact CB-CB 4Å; N118-A120 PolarHBondContact O-N 2.81Å; A120-V124 HydrophobicContact CB-CG2 3.56Å
121I82.8Confident81.6Confident117 Ų11766.8 Ų66.860%0.637%0.368SS*.  trans-117.1133.7-179.5-59.8164.5000107.4F96 P123 V124F96-I121 VanDerWaalsContact O-CG1 3.3Å; F96-I121 WeakPolarHBondContact O-CG1 3.3Å; I121-P123 CarbonylContact O-C 3.48Å; I121-V124 VanDerWaalsContact O-CG2 3.3Å; I121-V124 WeakPolarHBondContact O-CG2 3.44Å
122S82.1Confident80.6Confident38 Ų3871.1 Ų71.127%0.26639%0.393SS..SBendtrans-64.4134.3175.2-175.60000110.3W90W90-S122 PolarHBondContact N-OG 3.49Å; W90-S122 WeakPolarHBondContact O-CB 2.79Å; W90-S122 PolarHBondContact O-OG 2.77Å
123P85.6Confident79.3Confident74 Ų7471.1 Ų71.148%0.48142%0.418SS..SBendcis-86.5147.2-3.935.8-35.6000113.1V87 A88 R89 I121V87-P123 HydrophobicContact CG1-CB 4.14Å; A88-P123 WeakPolarHBondContact O-CA 3.28Å; R89-P123 HydrophobicContact CG-CB 3.8Å; I121-P123 CarbonylContact O-C 3.48Å
124V86.8Confident78.4Confident16 Ų1669.9 Ų69.910%0.09743%0.427CS..EExtended strand (participates in β ladder)trans-108.1130.8176.2177.30000111.1V87 A88 W90 F117 A120 I121 I126V87-V124 CarbonylContact C-O 3.57Å; V87-V124 VanDerWaalsContact CA-O 3.31Å; V87-V124 WeakPolarHBondContact CA-O 3.23Å; A88-V124 PolarHBondContact N-O 2.9Å; A88-V124 PolarHBondContact O-N 2.79Å; W90-V124 HydrophobicContact CH2-CB 4.29Å; W90-V124 HydrophobicContact CH2-CG2 3.32Å; W90-V124 HydrophobicContact CZ2-CG2 4.41Å; W90-V124 HydrophobicContact CZ3-CB 4.19Å; W90-V124 HydrophobicContact CZ3-CG2 3.7Å; F117-V124 HydrophobicContact CD1-CG1 4.5Å; F117-V124 HydrophobicContact CG-CG1 4.43Å; A120-V124 HydrophobicContact CB-CG2 3.56Å; I121-V124 VanDerWaalsContact O-CG2 3.3Å; I121-V124 WeakPolarHBondContact O-CG2 3.44Å; V124-I126 HydrophobicContact CG1-CG1 4.07Å
125V85.7Confident77.6Confident75 Ų7574.4 Ų74.446%0.45544%0.442SS..EExtended strand (participates in β ladder)trans-94.5125.1171.3-171.50000109V87 E127V87-V125 HydrophobicContact CG2-CG2 4.22Å; V125-E127 HydrophobicContact CG1-CG 4.07Å
126I85.8Confident77.2Confident3 Ų374.2 Ų74.22%0.01544%0.436CS..EExtended strand (participates in β ladder)trans-112.5107179.6-55.7170.6000106.5S85 L86 V102 F117 V124 L129 L140S85-I126 CarbonylContact C-O 3.51Å; S85-I126 VanDerWaalsContact CA-O 3.22Å; S85-I126 WeakPolarHBondContact CA-O 3.5Å; S85-I126 WeakPolarHBondContact CB-O 3.22Å; L86-I126 PolarHBondContact N-O 2.84Å; L86-I126 PolarHBondContact O-N 2.88Å; V102-I126 HydrophobicContact CG2-CD1 3.93Å; F117-I126 HydrophobicContact CD2-CG1 4.44Å; F117-I126 HydrophobicContact CE2-CB 4.36Å; F117-I126 HydrophobicContact CE2-CD1 4.05Å; F117-I126 HydrophobicContact CE2-CG1 3.68Å; F117-I126 HydrophobicContact CE2-CG2 3.97Å; F117-I126 HydrophobicContact CZ-CB 4.27Å; F117-I126 HydrophobicContact CZ-CG1 3.93Å; F117-I126 HydrophobicContact CZ-CG2 3.91Å; V124-I126 HydrophobicContact CG1-CG1 4.07Å; I126-L129 HydrophobicContact CG2-CD2 3.63Å; I126-L129 HydrophobicContact CG2-CG 4.4Å; I126-L140 HydrophobicContact CD1-CD1 3.77Å
127E82.6Confident77.1Confident129 Ų12975.8 Ų75.860%0.60344%0.438SS*.  trans-96.2160.4178.5-59.2-174.5158.900111.2V125V125-E127 HydrophobicContact CG1-CG 4.07Å
128H75.3Confident77.1Confident156 Ų15672.8 Ų72.872%0.72243%0.425SS*.  trans58.948.5173.6-53.788.2000114.5T84 G130T84-H128 PolarHBondContact O-N 2.95Å; T84-H128 VanDerWaalsContact O-N 3.16Å; H128-G130 PolarHBondContact O-N 3.32Å
129L72.5Confident77.2Confident14 Ų1471.5 Ų71.57%0.07341%0.411CS..  trans-61127.6169.5-61.8166000109T84 L86 I126 V131 M138 L175T84-L129 PolarHBondContact O-N 2.84Å; L86-L129 HydrophobicContact CB-CD1 4.04Å; L86-L129 HydrophobicContact CD1-CD1 3.18Å; L86-L129 HydrophobicContact CD1-CD2 4.23Å; L86-L129 HydrophobicContact CD1-CG 4.32Å; L86-L129 HydrophobicContact CD2-CD1 4.45Å; L86-L129 HydrophobicContact CG-CD1 3.27Å; I126-L129 HydrophobicContact CG2-CD2 3.63Å; I126-L129 HydrophobicContact CG2-CG 4.4Å; L129-V131 HydrophobicContact CB-CG2 4.25Å; L129-V131 WeakPolarHBondContact O-CG2 3.32Å; L129-V131 PolarHBondContact O-N 3.02Å; L129-M138 HydrophobicContact CD2-CE 3.64Å; L129-M138 HydrophobicContact CG-CE 4.5Å; L129-L175 HydrophobicContact CD1-CD2 4.48Å
130G66Low77.4Confident61 Ų6164.5 Ų64.563%0.62939%0.385SS*.  trans-6975.7179.300000111.6H128 T132 Q136H128-G130 PolarHBondContact O-N 3.32Å; G130-T132 PolarHBondContact O-N 3.16Å; G130-T132 VanDerWaalsContact O-N 3.1Å; G130-Q136 PolarHBondContact O-NE2 3.12Å; G130-Q136 VanDerWaalsContact O-NE2 3.13Å; G130-Q136 PolarHBondContact O-OE1 3.46Å
131V64.4Low77.6Confident58 Ų5864.2 Ų64.235%0.35238%0.382SS..  trans-8385.3179.5-146.10000109T84 L129 G133 L175T84-V131 HydrophobicContact CG2-CG2 4.37Å; L129-V131 HydrophobicContact CB-CG2 4.25Å; L129-V131 WeakPolarHBondContact O-CG2 3.32Å; L129-V131 PolarHBondContact O-N 3.02Å; V131-G133 PolarHBondContact O-N 2.79Å; V131-L175 HydrophobicContact CG1-CD1 4.46Å
132T60.8Low77.8Confident113 Ų11358.6 Ų58.669%0.69335%0.353SS*.  trans-74.4111.4166.958.90000107G130 G134 Q136G130-T132 PolarHBondContact O-N 3.16Å; G130-T132 VanDerWaalsContact O-N 3.1Å; T132-G134 PolarHBondContact O-N 3.43Å; T132-G134 VanDerWaalsContact O-N 3.11Å; T132-Q136 PolarHBondContact O-NE2 3.35Å; T132-Q136 PolarHBondContact OG1-NE2 3.1Å; T132-Q136 VanDerWaalsContact OG1-NE2 3.12Å
133G56.3Low78Confident89 Ų8956.8 Ų56.892%0.91834%0.341SS*.SBendtrans-37.6110.9-167.500000115.2V131V131-G133 PolarHBondContact O-N 2.79Å
134G65.3Low77.7Confident50 Ų5054 Ų5452%0.51532%0.323SS..SBendtrans166.9167.5-178.900000110.7T132 Q136T132-G134 PolarHBondContact O-N 3.43Å; T132-G134 VanDerWaalsContact O-N 3.11Å; G134-Q136 PolarHBondContact O-N 3.13Å
135Q65.1Low76.8Confident148 Ų14855.3 Ų55.369%0.69234%0.339SS*.  trans-64.5115.9166.7-69.9-84-38.600107.4D176Q135-D176 PolarHBondContact NE2-OD2 3.32Å; Q135-D176 PolarHBondContact OE1-OD2 3.44Å
136Q78.7Confident75.5Confident23 Ų2359.3 Ų59.311%0.10736%0.355CS..  trans-113.4116.8179.3-71.6-172.2-17.400109.3G130 T132 G134 L175G130-Q136 PolarHBondContact O-NE2 3.12Å; G130-Q136 VanDerWaalsContact O-NE2 3.13Å; G130-Q136 PolarHBondContact O-OE1 3.46Å; T132-Q136 PolarHBondContact O-NE2 3.35Å; T132-Q136 PolarHBondContact OG1-NE2 3.1Å; T132-Q136 VanDerWaalsContact OG1-NE2 3.12Å; G134-Q136 PolarHBondContact O-N 3.13Å; Q136-L175 HydrophobicContact CB-CD1 3.84Å; Q136-L175 PolarHBondContact O-N 3.47Å
137E85.1Confident73.9Confident86 Ų8661.7 Ų61.740%0.40237%0.372SS..EExtended strand (participates in β ladder)trans-80.7139.3164.7-60.6-177.6167.900108.4T105 N107T105-E137 PolarHBondContact N-O 3.4Å; T105-E137 VanDerWaalsContact O-O 3.08Å; T105-E137 WeakPolarHBondContact OG1-CB 3.22Å; T105-E137 PolarHBondContact OG1-O 3.37Å; N107-E137 PolarHBondContact OD1-OE1 2.84Å; N107-E137 PolarHBondContact OD1-OE2 3.09Å
138M84.9Confident72.5Confident3 Ų363.2 Ų63.22%0.01537%0.372CS..EExtended strand (participates in β ladder)trans-133.5138.9-174.4-68.4-86-76.800108.1L86 V102 Y103 T104 L129 F173 L175L86-M138 HydrophobicContact CD1-CE 4.44Å; V102-M138 HydrophobicContact CG1-CE 3.59Å; Y103-M138 CarbonylContact O-C 3.53Å; Y103-M138 VanDerWaalsContact O-CA 3.32Å; Y103-M138 WeakPolarHBondContact O-CA 3.37Å; T104-M138 HydrophobicContact CG2-SD 3.34Å; T104-M138 WeakPolarHBondContact CG2-SD 3.35Å; L129-M138 HydrophobicContact CD2-CE 3.64Å; L129-M138 HydrophobicContact CG-CE 4.5Å; M138-F173 HydrophobicContact CB-CD2 3.8Å; M138-F173 HydrophobicContact CB-CE1 4.26Å; M138-F173 HydrophobicContact CB-CE2 3.33Å; M138-F173 HydrophobicContact CB-CG 4.5Å; M138-F173 HydrophobicContact CB-CZ 3.58Å; M138-F173 HydrophobicContact CG-CE2 4.02Å; M138-F173 PolarHBondContact N-O 3.36Å; M138-F173 PolarHBondContact O-N 3.18Å; M138-F173 VanDerWaalsContact O-O 3.08Å; M138-L175 HydrophobicContact CG-CD1 3.74Å; M138-L175 HydrophobicContact CG-CG 4.41Å; M138-L175 HydrophobicContact SD-CD1 4.38Å
139R87.7Confident71.1Confident86 Ų8667 Ų6733%0.32538%0.382SS..EExtended strand (participates in β ladder)trans-116.1123.3174.2176.4171.7-92.2173.4-0.7109.2Y103 T105 C170 V171 D172Y103-R139 PolarHBondContact N-O 3.04Å; Y103-R139 PolarHBondContact O-N 3.49Å; T105-R139 HydrophobicContact CG2-CB 3.81Å; R139-C170 HydrophobicContact CG-CB 4.25Å; R139-V171 WeakPolarHBondContact CA-O 3.22Å; R139-D172 VanDerWaalsContact CB-OD1 3.23Å; R139-D172 WeakPolarHBondContact CB-OD1 3.05Å; R139-D172 WeakPolarHBondContact CD-OD1 3.45Å; R139-D172 VanDerWaalsContact CG-OD1 3.28Å; R139-D172 WeakPolarHBondContact CG-OD1 3.47Å; R139-D172 IonicContact CZ-OD1 3.35Å; R139-D172 IonicContact CZ-OD2 3.47Å; R139-D172 IonicContact NE-OD1 3.32Å; R139-D172 PolarHBondContact NE-OD1 3.31Å; R139-D172 IonicContact NE-OD2 3.49Å; R139-D172 PolarHBondContact NE-OD2 3.32Å; R139-D172 IonicContact NH2-OD1 3.46Å; R139-D172 PolarHBondContact NH2-OD1 3.45Å; R139-D172 IonicContact NH2-OD2 2.68Å; R139-D172 PolarHBondContact NH2-OD2 3.48Å
140L88.1Confident70Confident1 Ų176.8 Ų76.81%0.00542%0.418CS..EExtended strand (participates in β ladder)trans-110.6125.4172.8-177.1149000109.6V76 V78 A88 V100 L101 V102 I126 V142 C170 V171 F173V76-L140 HydrophobicContact CG1-CD2 3.98Å; V78-L140 HydrophobicContact CG2-CD1 4.35Å; A88-L140 HydrophobicContact CB-CD1 3.65Å; A88-L140 HydrophobicContact CB-CD2 4.33Å; V100-L140 HydrophobicContact CG1-CD1 4.04Å; V100-L140 HydrophobicContact CG1-CD2 4.08Å; V100-L140 HydrophobicContact CG1-CG 3.93Å; L101-L140 CarbonylContact O-C 3.59Å; L101-L140 WeakPolarHBondContact O-CA 3.4Å; V102-L140 HydrophobicContact CG2-CD1 4.24Å; V102-L140 HydrophobicContact CG2-CG 4.49Å; I126-L140 HydrophobicContact CD1-CD1 3.77Å; L140-V142 HydrophobicContact CD2-CG2 3.51Å; L140-C170 CarbonylContact O-C 3.49Å; L140-C170 VanDerWaalsContact O-CA 3.31Å; L140-C170 WeakPolarHBondContact O-CA 3.08Å; L140-V171 PolarHBondContact N-O 3.39Å; L140-V171 PolarHBondContact O-N 3.24Å; L140-F173 HydrophobicContact CB-CE1 3.7Å; L140-F173 HydrophobicContact CB-CZ 4.42Å
141C87.7Confident69.3Low8 Ų884.3 Ų84.35%0.05443%0.427CS..EExtended strand (participates in β ladder)trans-116130.6178.1-62.10000110.4V100 L101 F168 C169 C170V100-C141 CarbonylContact C-O 3.53Å; V100-C141 WeakPolarHBondContact CA-O 3.31Å; L101-C141 HydrophobicContact CB-CB 4.35Å; L101-C141 PolarHBondContact N-O 3.1Å; L101-C141 PolarHBondContact O-N 3.41Å; C141-F168 HydrophobicContact CB-CB 4.4Å; C141-F168 HydrophobicContact CB-CD1 4.48Å; C141-C169 CarbonylContact C-O 3.48Å; C141-C169 VanDerWaalsContact CA-O 3.3Å; C141-C169 WeakPolarHBondContact CA-O 3.24Å; C141-C170 HydrophobicContact CB-CB 4.12Å; C141-C170 WeakPolarHBondContact CB-SG 3.34Å; C141-C170 WeakPolarHBondContact SG-CB 3.18Å; C141-C170 CovalentContact SG-SG 2.04Å; C141-C170 PolarHBondContact SG-SG 3.18Å
142V88.1Confident68.4Low0 Ų091.9 Ų91.90%046%0.456CS..EExtended strand (participates in β ladder)trans-114.3121.6175.5-173.50000108.7V76 W90 C98 D99 V100 L140 C169V76-V142 HydrophobicContact CG1-CG2 4.05Å; V76-V142 HydrophobicContact CG2-CB 4.47Å; V76-V142 HydrophobicContact CG2-CG2 4.2Å; W90-V142 HydrophobicContact CD2-CG1 4.04Å; W90-V142 HydrophobicContact CE3-CG1 4.33Å; W90-V142 HydrophobicContact CE3-CG2 4.15Å; W90-V142 HydrophobicContact CG-CG1 4.28Å; C98-V142 HydrophobicContact CB-CG1 3.74Å; D99-V142 WeakPolarHBondContact O-CA 3.45Å; V100-V142 HydrophobicContact CG1-CG2 4.48Å; V100-V142 HydrophobicContact CG2-CG1 4.38Å; V100-V142 HydrophobicContact CG2-CG2 4.29Å; L140-V142 HydrophobicContact CD2-CG2 3.51Å; V142-C169 PolarHBondContact N-O 2.69Å; V142-C169 PolarHBondContact O-N 3.46Å
143G85.1Confident67.8Low0 Ų089.8 Ų89.80%046%0.457CS..EExtended strand (participates in β ladder)trans-119.3109.917500000110.2D99 F168D99-G143 PolarHBondContact N-O 2.68Å; D99-G143 PolarHBondContact O-N 2.89Å; G143-F168 VanDerWaalsContact CA-CD1 3.42Å
144C79.6Confident67.3Low15 Ų1595.6 Ų95.610%0.10146%0.46CS..EExtended strand (participates in β ladder)trans-102.7117.8179.1-52.20000109.3F94 C98 M146F94-C144 HydrophobicContact CB-CB 4.03Å; F94-C144 WeakPolarHBondContact CB-SG 3.46Å; F94-C144 WeakPolarHBondContact O-CB 3.3Å; C98-C144 HydrophobicContact CB-CB 4Å; C98-C144 WeakPolarHBondContact CB-SG 3.07Å; C98-C144 WeakPolarHBondContact SG-CB 3.27Å; C98-C144 CovalentContact SG-SG 2.01Å; C98-C144 PolarHBondContact SG-SG 2.83Å; C144-M146 PolarHBondContact O-N 3.06Å
145G68.6Low66.2Low44 Ų4496.4 Ų96.445%0.45447%0.469SS..  trans-72.497.4179.500000111.1S147G145-S147 PolarHBondContact O-N 3.25Å
146M58.3Low65.7Low159 Ų159101.7 Ų101.778%0.78348%0.482SS*.THydrogen-bonded Turntrans-68.329.9171.1-80.4170.963.300114C144C144-M146 PolarHBondContact O-N 3.06Å
147S51.9Low63.8Low53 Ų53106.2 Ų106.237%0.37152%0.516SS..THydrogen-bonded Turntrans-123.7-0.9-167.467.50000117.6G145 D164G145-S147 PolarHBondContact O-N 3.25Å; S147-D164 WeakPolarHBondContact CB-OD2 3.48Å; S147-D164 PolarHBondContact OG-OD2 3.23Å
148R52.8Low61.7Low160 Ų160114.1 Ų114.160%0.60454%0.543SS*.THydrogen-bonded Turntrans-84.4-3.8172.9-83-162.9-79-174.90.7116.5
149Y45.5Very low59.6Low236 Ų236117.8 Ų117.893%0.92558%0.581SS**THydrogen-bonded Turntrans-105.25.5173.7-118-87.4000114.9
150R50.2Low57Low220 Ų220122.2 Ų122.283%0.8361%0.605SS**  trans-107.733.4174.5-70.1-161.5-173.5-166.74.1114.1F152R150-F152 VanDerWaalsContact C-N 3.33Å; R150-F152 PolarHBondContact O-N 3.32Å
151R50.1Low54.8Low218 Ų218132 Ų13282%0.82365%0.651SS**  trans-8383.9160-75-167.6-164.8-175.24.8108.5
152F46.9Very low52.5Low217 Ų217134.9 Ų134.995%0.95267%0.671SS**SBendtrans170103.7144.4-98.5-73.2000108.8R150R150-F152 VanDerWaalsContact C-N 3.33Å; R150-F152 PolarHBondContact O-N 3.32Å
153G47.4Very low50.3Low69 Ų69138 Ų13871%0.71170%0.703SS**  trans142.4104160.900000115.2
154Q45.8Very low48.4Very low211 Ų211143.8 Ų143.899%0.98673%0.734SS**  trans58.1133.5155.9-85.9166.6-37.900117.9
155G43.2Very low47.1Very low68 Ų68151.1 Ų151.170%0.70177%0.767SS**  cis159.4125.911.700000106
156R54.4Low46.7Very low259 Ų259151.3 Ų151.398%0.97776%0.759SS**  trans22.2105.8162.5-67.5178.7168.4177.2-3.7118.3
157S38.3Very low47.3Very low118 Ų118147.9 Ų147.983%0.82576%0.756SS**  trans-148.7127.5144.753.40000111.5
158R40.1Very low48.5Very low252 Ų252149.9 Ų149.995%0.95176%0.758SS**  trans-42.7134.1177.4-98.1166.8158.9172.6-6.4114
159G40.8Very low50.1Low79 Ų79142.9 Ų142.981%0.81473%0.733SS**  trans45.481.6137.900000118.3
160Q34.9Very low52.1Low179 Ų179133.9 Ų133.984%0.83670%0.704SS**  trans-145.6120.5150.1-161145.3-1400108.2S162Q160-S162 PolarHBondContact O-N 2.71Å
161Q40.5Very low53.8Low208 Ų208125.1 Ų125.197%0.97268%0.676SS**  trans-64.280.7168.1-66.7171.2-7.100108
162S39.5Very low55.6Low68 Ų68119 Ų11948%0.47666%0.659SS.*  trans-116.3100.8164.9-173.70000105.3Q160 D164Q160-S162 PolarHBondContact O-N 2.71Å; S162-D164 PolarHBondContact O-N 3.33Å
163G42.1Very low57.4Low65 Ų65109.5 Ų109.567%0.6762%0.617SS**  trans-49.5137.8159.100000107.9Q165G163-Q165 PolarHBondContact O-N 3.22Å
164D44.8Very low59.1Low121 Ų121107.4 Ų107.465%0.64759%0.592SS**  trans-42.9109.3179.4-144.813.1000108.2S147 S162 V166S147-D164 WeakPolarHBondContact CB-OD2 3.48Å; S147-D164 PolarHBondContact OG-OD2 3.23Å; S162-D164 PolarHBondContact O-N 3.33Å; D164-V166 VanDerWaalsContact C-N 3.28Å; D164-V166 PolarHBondContact O-N 3.31Å
165Q52.5Low60.6Low170 Ų17097.5 Ų97.579%0.79455%0.546SS*.  trans-71.989.3-175.7-73.1-174.827.200107.9G163 A167G163-Q165 PolarHBondContact O-N 3.22Å; Q165-A167 PolarHBondContact O-N 3.07Å; Q165-A167 VanDerWaalsContact O-N 3.15Å
166V61.8Low62.1Low48 Ų4897 Ų9729%0.29153%0.527SS..  trans-66.7112.8171.4-179.10000106.8D164 F168D164-V166 VanDerWaalsContact C-N 3.28Å; D164-V166 PolarHBondContact O-N 3.31Å; V166-F168 HydrophobicContact CB-CE2 3.94Å; V166-F168 HydrophobicContact CB-CZ 4.22Å; V166-F168 HydrophobicContact CG1-CE1 4.44Å; V166-F168 HydrophobicContact CG1-CE2 4.09Å; V166-F168 HydrophobicContact CG1-CZ 4.04Å; V166-F168 WeakPolarHBondContact O-CD2 3.36Å; V166-F168 WeakPolarHBondContact O-CE2 3.24Å; V166-F168 PolarHBondContact O-N 3.28Å
167A69.5Low63Low87 Ų8791.3 Ų91.372%0.71951%0.511SS*.  trans-67.8114.2173.900000108.5Q165Q165-A167 PolarHBondContact O-N 3.07Å; Q165-A167 VanDerWaalsContact O-N 3.15Å
168F78.4Confident64.5Low95 Ų9586.4 Ų86.442%0.41748%0.476SS..EExtended strand (participates in β ladder)trans-91.8129174.4-70.9-86.1000109.9L101 C141 G143 V166L101-F168 HydrophobicContact CD1-CD1 4.03Å; L101-F168 HydrophobicContact CD1-CE1 3.62Å; L101-F168 HydrophobicContact CD1-CZ 4.11Å; L101-F168 HydrophobicContact CG-CE1 4.45Å; C141-F168 HydrophobicContact CB-CB 4.4Å; C141-F168 HydrophobicContact CB-CD1 4.48Å; G143-F168 VanDerWaalsContact CA-CD1 3.42Å; V166-F168 HydrophobicContact CB-CE2 3.94Å; V166-F168 HydrophobicContact CB-CZ 4.22Å; V166-F168 HydrophobicContact CG1-CE1 4.44Å; V166-F168 HydrophobicContact CG1-CE2 4.09Å; V166-F168 HydrophobicContact CG1-CZ 4.04Å; V166-F168 WeakPolarHBondContact O-CD2 3.36Å; V166-F168 WeakPolarHBondContact O-CE2 3.24Å; V166-F168 PolarHBondContact O-N 3.28Å
169C85.6Confident65.6Low12 Ų1283.2 Ų83.28%0.08146%0.464CS..EExtended strand (participates in β ladder)trans-100.3112.1175.8167.20000108.3C74 V76 F94 C141 V142C74-C169 VanDerWaalsContact CA-SG 3.57Å; C74-C169 HydrophobicContact CB-CB 4.4Å; C74-C169 WeakPolarHBondContact CB-SG 3.34Å; C74-C169 VanDerWaalsContact SG-CA 3.53Å; C74-C169 WeakPolarHBondContact SG-CB 3.41Å; C74-C169 CovalentContact SG-SG 2.01Å; C74-C169 PolarHBondContact SG-SG 3.28Å; V76-C169 VanDerWaalsContact CG2-SG 3.53Å; F94-C169 HydrophobicContact CE1-CB 4.13Å; C141-C169 CarbonylContact C-O 3.48Å; C141-C169 VanDerWaalsContact CA-O 3.3Å; C141-C169 WeakPolarHBondContact CA-O 3.24Å; V142-C169 PolarHBondContact N-O 2.69Å; V142-C169 PolarHBondContact O-N 3.46Å
170C87.3Confident66.4Low47 Ų4781.9 Ų81.932%0.31845%0.45SS..EExtended strand (participates in β ladder)trans-109.9138.6-172.4-60.70000111.8R139 L140 C141R139-C170 HydrophobicContact CG-CB 4.25Å; L140-C170 CarbonylContact O-C 3.49Å; L140-C170 VanDerWaalsContact O-CA 3.31Å; L140-C170 WeakPolarHBondContact O-CA 3.08Å; C141-C170 HydrophobicContact CB-CB 4.12Å; C141-C170 WeakPolarHBondContact CB-SG 3.34Å; C141-C170 WeakPolarHBondContact SG-CB 3.18Å; C141-C170 CovalentContact SG-SG 2.04Å; C141-C170 PolarHBondContact SG-SG 3.18Å
171V87.1Confident67.4Low37 Ų3777.3 Ų77.322%0.22443%0.431CS..EExtended strand (participates in β ladder)trans-124.7128.4174.3179.30000108.6V76 R139 L140V76-V171 HydrophobicContact CB-CG2 3.92Å; V76-V171 HydrophobicContact CG1-CG2 4.27Å; R139-V171 WeakPolarHBondContact CA-O 3.22Å; L140-V171 PolarHBondContact N-O 3.39Å; L140-V171 PolarHBondContact O-N 3.24Å
172D87.4Confident68Low88 Ų8874.6 Ų74.647%0.47142%0.416SS..EExtended strand (participates in β ladder)trans-93.8136.4172-62.3-48000109.5R139R139-D172 VanDerWaalsContact CB-OD1 3.23Å; R139-D172 WeakPolarHBondContact CB-OD1 3.05Å; R139-D172 WeakPolarHBondContact CD-OD1 3.45Å; R139-D172 VanDerWaalsContact CG-OD1 3.28Å; R139-D172 WeakPolarHBondContact CG-OD1 3.47Å; R139-D172 IonicContact CZ-OD1 3.35Å; R139-D172 IonicContact CZ-OD2 3.47Å; R139-D172 IonicContact NE-OD1 3.32Å; R139-D172 PolarHBondContact NE-OD1 3.31Å; R139-D172 IonicContact NE-OD2 3.49Å; R139-D172 PolarHBondContact NE-OD2 3.32Å; R139-D172 IonicContact NH2-OD1 3.46Å; R139-D172 PolarHBondContact NH2-OD1 3.45Å; R139-D172 IonicContact NH2-OD2 2.68Å; R139-D172 PolarHBondContact NH2-OD2 3.48Å
173F83.9Confident68.6Low18 Ų1875.9 Ų75.98%0.07943%0.426CS..EExtended strand (participates in β ladder)trans-149.4150.9176.557.2-94.4000110.9V78 L86 M138 L140 L178V78-F173 HydrophobicContact CB-CD1 4.27Å; V78-F173 HydrophobicContact CB-CE1 4.26Å; V78-F173 HydrophobicContact CG1-CD1 4.23Å; V78-F173 HydrophobicContact CG1-CE1 3.9Å; V78-F173 HydrophobicContact CG1-CE2 4.26Å; V78-F173 HydrophobicContact CG1-CZ 3.9Å; V78-F173 HydrophobicContact CG2-CD1 4.16Å; V78-F173 HydrophobicContact CG2-CE1 3.95Å; L86-F173 HydrophobicContact CD1-CE2 3.56Å; L86-F173 HydrophobicContact CD1-CZ 3.65Å; L86-F173 HydrophobicContact CD2-CE2 4.41Å; M138-F173 HydrophobicContact CB-CD2 3.8Å; M138-F173 HydrophobicContact CB-CE1 4.26Å; M138-F173 HydrophobicContact CB-CE2 3.33Å; M138-F173 HydrophobicContact CB-CG 4.5Å; M138-F173 HydrophobicContact CB-CZ 3.58Å; M138-F173 HydrophobicContact CG-CE2 4.02Å; M138-F173 PolarHBondContact N-O 3.36Å; M138-F173 PolarHBondContact O-N 3.18Å; M138-F173 VanDerWaalsContact O-O 3.08Å; L140-F173 HydrophobicContact CB-CE1 3.7Å; L140-F173 HydrophobicContact CB-CZ 4.42Å; F173-L178 HydrophobicContact CB-CD1 3.96Å; F173-L178 HydrophobicContact CD2-CD1 3.11Å; F173-L178 HydrophobicContact CD2-CG 4.43Å; F173-L178 HydrophobicContact CE2-CD1 3.68Å; F173-L178 HydrophobicContact CG-CD1 3.71Å
174S82.4Confident68.9Low25 Ų2578 Ų7818%0.17541%0.413CS..EExtended strand (participates in β ladder)trans-95.4138.9168.170.50000110.1D176 E177 L178S174-D176 PolarHBondContact O-N 3.17Å; S174-E177 PolarHBondContact O-N 3.44Å; S174-E177 WeakPolarHBondContact OG-CB 3.41Å; S174-E177 PolarHBondContact OG-N 3.15Å; S174-L178 PolarHBondContact O-N 3.2Å
175L77.9Confident69.3Low4 Ų480.5 Ų80.52%0.02141%0.414CS..Hα-helixtrans-59.2-30.9176.6-96141.1000112R80 L129 V131 Q136 M138 R179R80-L175 PolarHBondContact NH1-O 3.14Å; L129-L175 HydrophobicContact CD1-CD2 4.48Å; V131-L175 HydrophobicContact CG1-CD1 4.46Å; Q136-L175 HydrophobicContact CB-CD1 3.84Å; Q136-L175 PolarHBondContact O-N 3.47Å; M138-L175 HydrophobicContact CG-CD1 3.74Å; M138-L175 HydrophobicContact CG-CG 4.41Å; M138-L175 HydrophobicContact SD-CD1 4.38Å; L175-R179 PolarHBondContact O-N 3.09Å
176D75.8Confident69.3Low58 Ų5879.3 Ų79.331%0.3141%0.412SS..Hα-helixtrans-74.5-35.3-179.5-71.6-68.4000113.5Q135 S174 R179Q135-D176 PolarHBondContact NE2-OD2 3.32Å; Q135-D176 PolarHBondContact OE1-OD2 3.44Å; S174-D176 PolarHBondContact O-N 3.17Å; D176-R179 VanDerWaalsContact O-CB 3.25Å; D176-R179 WeakPolarHBondContact O-CB 3.46Å; D176-R179 PolarHBondContact O-N 3.09Å
177E73.4Confident68.7Low138 Ų13884 Ų8465%0.64544%0.436SS*.Hα-helixtrans-65.5-44.2173.7-177.7174.1-168.700111.5S174 R179 G180S174-E177 PolarHBondContact O-N 3.44Å; S174-E177 WeakPolarHBondContact OG-CB 3.41Å; S174-E177 PolarHBondContact OG-N 3.15Å; E177-R179 PolarHBondContact O-N 3.38Å; E177-R179 VanDerWaalsContact O-N 3.17Å; E177-G180 WeakPolarHBondContact O-CA 3.43Å; E177-G180 PolarHBondContact O-N 2.91Å
178L69.1Low67.9Low16 Ų1687.8 Ų87.88%0.08443%0.431CS..Hα-helixtrans-65.2-19.2175.4-72.7155.5000113.7V78 R80 L86 F173 S174V78-L178 HydrophobicContact CG1-CD1 4.23Å; V78-L178 HydrophobicContact CG1-CD2 4.35Å; V78-L178 WeakPolarHBondContact O-CD2 2.95Å; R80-L178 HydrophobicContact CB-CB 3.82Å; L86-L178 HydrophobicContact CD2-CD1 3.86Å; F173-L178 HydrophobicContact CB-CD1 3.96Å; F173-L178 HydrophobicContact CD2-CD1 3.11Å; F173-L178 HydrophobicContact CD2-CG 4.43Å; F173-L178 HydrophobicContact CE2-CD1 3.68Å; F173-L178 HydrophobicContact CG-CD1 3.71Å; S174-L178 PolarHBondContact O-N 3.2Å
179R62.3Low67Low185 Ų18591.8 Ų91.870%0.69845%0.449SS*.Hα-helixtrans-72-24171.9-160.8-175.7172.5-157.3-1.8111.5L175 D176 E177L175-R179 PolarHBondContact O-N 3.09Å; D176-R179 VanDerWaalsContact O-CB 3.25Å; D176-R179 WeakPolarHBondContact O-CB 3.46Å; D176-R179 PolarHBondContact O-N 3.09Å; E177-R179 PolarHBondContact O-N 3.38Å; E177-R179 VanDerWaalsContact O-N 3.17Å
180G58.1Low65.7Low51 Ų5195.5 Ų95.553%0.52647%0.473SS..Hα-helixtrans-74.2-22.1-179.100000114.2E177 K182E177-G180 WeakPolarHBondContact O-CA 3.43Å; E177-G180 PolarHBondContact O-N 2.91Å; G180-K182 PolarHBondContact O-N 2.77Å
181D55.5Low64.4Low83 Ų8398.3 Ų98.344%0.44448%0.483SS..  trans-74.866.4179.5-71.3-21.8000112.3S183D181-S183 PolarHBondContact O-N 2.89Å; D181-S183 VanDerWaalsContact O-N 3.09Å
182K53.8Low63.2Low150 Ų150104.2 Ų104.265%0.65251%0.508SS*.G310 helixtrans-64.5-4.9168.4-64.4176.7-177175.60112.6G180 W184 R185 L186G180-K182 PolarHBondContact O-N 2.77Å; K182-W184 PolarHBondContact O-N 3.23Å; K182-R185 WeakPolarHBondContact O-CB 3.25Å; K182-R185 PolarHBondContact O-N 2.91Å; K182-L186 PolarHBondContact O-N 3.03Å
183S51.9Low62Low96 Ų96104 Ų10467%0.67151%0.513SS*.G310 helixtrans-49.7-39.9178.3176.40000112.6D181 R185 L186D181-S183 PolarHBondContact O-N 2.89Å; D181-S183 VanDerWaalsContact O-N 3.09Å; S183-R185 VanDerWaalsContact C-N 3.32Å; S183-R185 PolarHBondContact O-N 3.17Å; S183-L186 PolarHBondContact O-N 3.11Å
184W49.2Very low61.4Low108 Ų108107.1 Ų107.141%0.40953%0.534SS..G310 helixtrans-70.5-26.2178.390-95.9000113.7K182 L186K182-W184 PolarHBondContact O-N 3.23Å; W184-L186 VanDerWaalsContact C-N 3.31Å
185R52.4Low61.2Low174 Ų174111.3 Ų111.366%0.65755%0.554SS**G310 helixtrans-79.1-14.1178.8-68.8-162.2170.9-155.7-1.1113.2K182 S183K182-R185 WeakPolarHBondContact O-CB 3.25Å; K182-R185 PolarHBondContact O-N 2.91Å; S183-R185 VanDerWaalsContact C-N 3.32Å; S183-R185 PolarHBondContact O-N 3.17Å
186L51.7Low61.4Low146 Ų146115.1 Ų115.176%0.76458%0.577SS**G310 helixtrans-87.4-6.5-177.4-67.7171.2000113.8K182 S183 W184K182-L186 PolarHBondContact O-N 3.03Å; S183-L186 PolarHBondContact O-N 3.11Å; W184-L186 VanDerWaalsContact C-N 3.31Å
187N50Low61.5Low147 Ų147114.9 Ų114.979%0.78658%0.583SS**G310 helixtrans-102.614.1172.6-134.7-23.9000113.4
188R53Low62Low165 Ų165111.7 Ų111.762%0.62358%0.575SS**SBendtrans-95.4104.7157.7-73.2-172.3179.4-177.8-0.4106.7
189K59.1Low62.8Low180 Ų180116.8 Ų116.878%0.78360%0.597SS**  trans-45.4140.1166.1-73.4155.4179.9167.80108.5I191K189-I191 PolarHBondContact O-N 3.28Å
190P59.4Low63.8Low90 Ų90113.1 Ų113.158%0.58459%0.589SS**  trans-59.3109.6-169.523.9-32.7000109.7E192 S193P190-E192 PolarHBondContact O-N 3.25Å; P190-E192 VanDerWaalsContact O-N 3.12Å; P190-S193 PolarHBondContact O-N 2.98Å
191I60Low65.2Low106 Ų106114.3 Ų114.354%0.54459%0.587SS.*Hα-helixtrans-58.5-27.1-177.7-58.8162.8000110.3K189 S193 T194 L195K189-I191 PolarHBondContact O-N 3.28Å; I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 3.4Å; I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-OG1 2.99Å; I191-L195 WeakPolarHBondContact O-CB 3.35Å; I191-L195 PolarHBondContact O-N 2.89Å
192E61.3Low66.7Low161 Ų161115.5 Ų115.575%0.75259%0.592SS**Hα-helixtrans-62.3-37.5176-64.8179.3172.900112.4P190 V196P190-E192 PolarHBondContact O-N 3.25Å; P190-E192 VanDerWaalsContact O-N 3.12Å; E192-V196 WeakPolarHBondContact O-CB 3.36Å; E192-V196 WeakPolarHBondContact O-CG2 2.98Å; E192-V196 PolarHBondContact O-N 3.44Å
193S62.5Low68.4Low82 Ų82111.1 Ų111.157%0.57358%0.578SS**Hα-helixtrans-72.7-38.9-179.6-177.20000111.9P190 I191 A197P190-S193 PolarHBondContact O-N 2.98Å; I191-S193 VanDerWaalsContact C-N 3.34Å; I191-S193 PolarHBondContact O-N 3.4Å; S193-A197 WeakPolarHBondContact O-CB 3.27Å; S193-A197 PolarHBondContact O-N 3.45Å
194T71.1Confident70Confident85 Ų85111.6 Ų111.652%0.52157%0.572SS.*Hα-helixtrans-69.7-36.2175.945.80000112.6I191 C198I191-T194 PolarHBondContact O-N 2.98Å; I191-T194 PolarHBondContact O-OG1 2.99Å; T194-C198 WeakPolarHBondContact O-CB 3.21Å; T194-C198 PolarHBondContact O-N 2.92Å; T194-C198 PolarHBondContact O-SG 2.91Å; T194-C198 VanDerWaalsContact O-SG 3.4Å
195L78.1Confident71.8Confident113 Ų113110.5 Ų110.559%0.59257%0.573SS**Hα-helixtrans-68.3-46.3177.8-167.8163.6000110.7I191 A197 C198 F199I191-L195 WeakPolarHBondContact O-CB 3.35Å; I191-L195 PolarHBondContact O-N 2.89Å; L195-A197 VanDerWaalsContact C-N 3.32Å; L195-A197 PolarHBondContact O-N 3.12Å; L195-C198 PolarHBondContact O-N 2.99Å; L195-F199 WeakPolarHBondContact O-CB 3.43Å; L195-F199 PolarHBondContact O-N 2.87Å
196V81.1Confident73.5Confident83 Ų83106.8 Ų106.850%0.50357%0.57SS.*Hα-helixtrans-60.7-42.9176.91730000110.9E192 F199 M200E192-V196 WeakPolarHBondContact O-CB 3.36Å; E192-V196 WeakPolarHBondContact O-CG2 2.98Å; E192-V196 PolarHBondContact O-N 3.44Å; V196-F199 PolarHBondContact O-N 3.39Å; V196-M200 HydrophobicContact CG1-CG 4.46Å; V196-M200 VanDerWaalsContact O-CG 3.27Å; V196-M200 WeakPolarHBondContact O-CG 3.38Å; V196-M200 PolarHBondContact O-N 2.91Å
197A78.2Confident75.1Confident53 Ų53109.1 Ų109.144%0.43857%0.568SS.*Hα-helixtrans-61.9-45.6175.700000112.3S193 L195 F199 M200 T201S193-A197 WeakPolarHBondContact O-CB 3.27Å; S193-A197 PolarHBondContact O-N 3.45Å; L195-A197 VanDerWaalsContact C-N 3.32Å; L195-A197 PolarHBondContact O-N 3.12Å; A197-F199 PolarHBondContact O-N 2.69Å; A197-M200 PolarHBondContact O-N 3.34Å; A197-T201 WeakPolarHBondContact O-CB 3.29Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 2.86Å
198C83.6Confident76.6Confident71 Ų71104.8 Ų104.848%0.4855%0.549SS..Hα-helixtrans-62.3-42.9176.8-78.80000112.4T194 L195 T201 L202T194-C198 WeakPolarHBondContact O-CB 3.21Å; T194-C198 PolarHBondContact O-N 2.92Å; T194-C198 PolarHBondContact O-SG 2.91Å; T194-C198 VanDerWaalsContact O-SG 3.4Å; L195-C198 PolarHBondContact O-N 2.99Å; C198-T201 PolarHBondContact O-N 2.69Å; C198-L202 PolarHBondContact O-N 3.39Å
199F86.3Confident78.2Confident124 Ų12499.9 Ų99.954%0.54454%0.538SS..Hα-helixtrans-62.9-47.8178.5179.6-99.1000111.8L195 V196 A197 T201 L202 V203L195-F199 WeakPolarHBondContact O-CB 3.43Å; L195-F199 PolarHBondContact O-N 2.87Å; V196-F199 PolarHBondContact O-N 3.39Å; A197-F199 PolarHBondContact O-N 2.69Å; F199-T201 PolarHBondContact O-N 3.49Å; F199-L202 PolarHBondContact O-N 3.45Å; F199-V203 HydrophobicContact CD1-CG2 4.33Å; F199-V203 HydrophobicContact CE1-CG2 3.93Å; F199-V203 HydrophobicContact CE2-CG2 4.43Å; F199-V203 HydrophobicContact CZ-CG2 3.99Å; F199-V203 WeakPolarHBondContact O-CG2 3.35Å; F199-V203 PolarHBondContact O-N 3.48Å
200M84.6Confident79.2Confident107 Ų10794 Ų9453%0.52752%0.522SS..Hα-helixtrans-58.8-39.3176.2-68.9-63.1173.900111.5V196 A197 V203 I204V196-M200 HydrophobicContact CG1-CG 4.46Å; V196-M200 VanDerWaalsContact O-CG 3.27Å; V196-M200 WeakPolarHBondContact O-CG 3.38Å; V196-M200 PolarHBondContact O-N 2.91Å; A197-M200 PolarHBondContact O-N 3.34Å; M200-V203 PolarHBondContact O-N 2.95Å; M200-I204 WeakPolarHBondContact O-CD1 3.47Å; M200-I204 VanDerWaalsContact O-CG1 3.29Å; M200-I204 WeakPolarHBondContact O-CG1 3.32Å; M200-I204 PolarHBondContact O-N 3.4Å; M200-I204 VanDerWaalsContact O-N 3.14Å
201T86.7Confident80Confident77 Ų7792.8 Ų92.847%0.47252%0.52SS..Hα-helixtrans-66.2-42.1178.3-49.70000112.1A197 C198 F199 I204 I205A197-T201 WeakPolarHBondContact O-CB 3.29Å; A197-T201 PolarHBondContact O-N 3.21Å; A197-T201 PolarHBondContact O-OG1 2.86Å; C198-T201 PolarHBondContact O-N 2.69Å; F199-T201 PolarHBondContact O-N 3.49Å; T201-I204 PolarHBondContact O-N 2.96Å; T201-I205 HydrophobicContact CG2-CD1 4.26Å; T201-I205 WeakPolarHBondContact O-CG1 3.29Å; T201-I205 PolarHBondContact O-N 3.25Å
202L86.8Confident80.4Confident108 Ų10893.8 Ų93.857%0.56553%0.526SS*.Hα-helixtrans-63.2-41.6176.1-74.6175.9000112.4C198 F199 I204 I205 V206C198-L202 PolarHBondContact O-N 3.39Å; F199-L202 PolarHBondContact O-N 3.45Å; L202-I204 VanDerWaalsContact C-N 3.31Å; L202-I204 PolarHBondContact O-N 3.48Å; L202-I205 PolarHBondContact O-N 3.05Å; L202-V206 WeakPolarHBondContact O-CG2 3.27Å; L202-V206 PolarHBondContact O-N 3.14Å
203V89.4Confident81Confident57 Ų5792.1 Ų92.135%0.34552%0.521SS..Hα-helixtrans-60-44176.5173.70000110.7F199 M200 I205 V206 W207F199-V203 HydrophobicContact CD1-CG2 4.33Å; F199-V203 HydrophobicContact CE1-CG2 3.93Å; F199-V203 HydrophobicContact CE2-CG2 4.43Å; F199-V203 HydrophobicContact CZ-CG2 3.99Å; F199-V203 WeakPolarHBondContact O-CG2 3.35Å; F199-V203 PolarHBondContact O-N 3.48Å; M200-V203 PolarHBondContact O-N 2.95Å; V203-I205 PolarHBondContact O-N 3.44Å; V203-V206 PolarHBondContact O-N 3.43Å; V203-W207 WeakPolarHBondContact O-CB 3.39Å; V203-W207 PolarHBondContact O-N 3.06Å
204I85.5Confident81Confident106 Ų10698.9 Ų98.954%0.54453%0.534SS..Hα-helixtrans-61.8-43.6177.1-66.5163.9000111.1M200 T201 L202 W207 S208M200-I204 WeakPolarHBondContact O-CD1 3.47Å; M200-I204 VanDerWaalsContact O-CG1 3.29Å; M200-I204 WeakPolarHBondContact O-CG1 3.32Å; M200-I204 PolarHBondContact O-N 3.4Å; M200-I204 VanDerWaalsContact O-N 3.14Å; T201-I204 PolarHBondContact O-N 2.96Å; L202-I204 VanDerWaalsContact C-N 3.31Å; L202-I204 PolarHBondContact O-N 3.48Å; I204-W207 PolarHBondContact O-N 3.22Å; I204-S208 VanDerWaalsContact O-CB 3.29Å; I204-S208 WeakPolarHBondContact O-CB 3.46Å; I204-S208 PolarHBondContact O-N 3.03Å; I204-S208 PolarHBondContact O-OG 2.88Å
205I86.6Confident80.2Confident86 Ų8698.5 Ų98.544%0.44153%0.533SS..Hα-helixtrans-62.7-48.6178.6-67.4165.9000110.6T201 L202 V203 W207 S208 V209T201-I205 HydrophobicContact CG2-CD1 4.26Å; T201-I205 WeakPolarHBondContact O-CG1 3.29Å; T201-I205 PolarHBondContact O-N 3.25Å; L202-I205 PolarHBondContact O-N 3.05Å; V203-I205 PolarHBondContact O-N 3.44Å; I205-W207 VanDerWaalsContact C-N 3.35Å; I205-W207 PolarHBondContact O-N 3.32Å; I205-S208 PolarHBondContact O-N 3.48Å; I205-V209 HydrophobicContact CG2-CG2 4.37Å; I205-V209 WeakPolarHBondContact O-CG2 3.17Å; I205-V209 PolarHBondContact O-N 3.43Å
206V87.9Confident79.1Confident96 Ų9698 Ų9858%0.58253%0.534SS*.Hα-helixtrans-61.1-44.9179.9172.70000111L202 V203 S208 V209 A210L202-V206 WeakPolarHBondContact O-CG2 3.27Å; L202-V206 PolarHBondContact O-N 3.14Å; V203-V206 PolarHBondContact O-N 3.43Å; V206-S208 PolarHBondContact O-N 3Å; V206-V209 PolarHBondContact O-N 3.06Å; V206-A210 WeakPolarHBondContact O-CB 3.4Å; V206-A210 PolarHBondContact O-N 3.05Å
207W86.6Confident77.5Confident195 Ų195100.3 Ų100.374%0.73955%0.551SS**Hα-helixtrans-63.1-40.2175.7-90.969.5000112.7V203 I204 I205 A210 A211V203-W207 WeakPolarHBondContact O-CB 3.39Å; V203-W207 PolarHBondContact O-N 3.06Å; I204-W207 PolarHBondContact O-N 3.22Å; I205-W207 VanDerWaalsContact C-N 3.35Å; I205-W207 PolarHBondContact O-N 3.32Å; W207-A210 PolarHBondContact O-N 3.32Å; W207-A211 WeakPolarHBondContact O-CB 3.44Å; W207-A211 PolarHBondContact O-N 2.9Å
208S81.9Confident76.4Confident55 Ų55104.4 Ų104.439%0.38556%0.564SS.*Hα-helixtrans-65.2-43.6177.2-58.20000111.4I204 I205 V206 A211 L212I204-S208 VanDerWaalsContact O-CB 3.29Å; I204-S208 WeakPolarHBondContact O-CB 3.46Å; I204-S208 PolarHBondContact O-N 3.03Å; I204-S208 PolarHBondContact O-OG 2.88Å; I205-S208 PolarHBondContact O-N 3.48Å; V206-S208 PolarHBondContact O-N 3Å; S208-A211 PolarHBondContact O-N 3.5Å; S208-L212 WeakPolarHBondContact O-CB 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.48Å; S208-L212 PolarHBondContact O-N 3.4Å
209V84.7Confident75Confident62 Ų62108.6 Ų108.638%0.37658%0.58SS.*Hα-helixtrans-64.5-43.3176.3172.20000110.7I205 V206 A211 L212 I213I205-V209 HydrophobicContact CG2-CG2 4.37Å; I205-V209 WeakPolarHBondContact O-CG2 3.17Å; I205-V209 PolarHBondContact O-N 3.43Å; V206-V209 PolarHBondContact O-N 3.06Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 3.04Å; V209-L212 PolarHBondContact O-N 3.42Å; V209-I213 HydrophobicContact CG1-CD1 3.55Å; V209-I213 HydrophobicContact CG1-CG1 4.29Å; V209-I213 VanDerWaalsContact O-CG1 3.3Å; V209-I213 WeakPolarHBondContact O-CG1 3.26Å; V209-I213 PolarHBondContact O-N 3.45Å
210A80.6Confident73.2Confident56 Ų56107 Ų10746%0.46359%0.59SS.*Hα-helixtrans-59.4-45175.300000111.5V206 W207 L212 I213 W214V206-A210 WeakPolarHBondContact O-CB 3.4Å; V206-A210 PolarHBondContact O-N 3.05Å; W207-A210 PolarHBondContact O-N 3.32Å; A210-L212 VanDerWaalsContact C-N 3.31Å; A210-L212 PolarHBondContact O-N 3.17Å; A210-I213 PolarHBondContact O-N 2.91Å; A210-W214 WeakPolarHBondContact O-CB 3.37Å; A210-W214 PolarHBondContact O-N 3.41Å
211A76.8Confident71.7Confident65 Ų65105.3 Ų105.354%0.53760%0.6SS.*Hα-helixtrans-65.7-29.917600000113.6W207 S208 V209 P215W207-A211 WeakPolarHBondContact O-CB 3.44Å; W207-A211 PolarHBondContact O-N 2.9Å; S208-A211 PolarHBondContact O-N 3.5Å; V209-A211 VanDerWaalsContact C-N 3.34Å; V209-A211 PolarHBondContact O-N 3.04Å; A211-P215 VanDerWaalsContact O-CD 3.26Å; A211-P215 WeakPolarHBondContact O-CD 3.39Å
212L69.1Low70Confident127 Ų127111.1 Ų111.167%0.66562%0.619SS**Hα-helixtrans-84.8-19.3178.1-73.4171.9000114.4S208 V209 A210 P215S208-L212 WeakPolarHBondContact O-CB 3.3Å; S208-L212 WeakPolarHBondContact O-CG 3.48Å; S208-L212 PolarHBondContact O-N 3.4Å; V209-L212 PolarHBondContact O-N 3.42Å; A210-L212 VanDerWaalsContact C-N 3.31Å; A210-L212 PolarHBondContact O-N 3.17Å; L212-P215 WeakPolarHBondContact O-CD 3.36Å; L212-P215 VanDerWaalsContact O-CG 3.27Å; L212-P215 WeakPolarHBondContact O-CG 3.38Å
213I72.6Confident67.9Low127 Ų127113.4 Ų113.465%0.65163%0.631SS**Hα-helixtrans-87.4-25.1170-64168000110.7V209 A210V209-I213 HydrophobicContact CG1-CD1 3.55Å; V209-I213 HydrophobicContact CG1-CG1 4.29Å; V209-I213 VanDerWaalsContact O-CG1 3.3Å; V209-I213 WeakPolarHBondContact O-CG1 3.26Å; V209-I213 PolarHBondContact O-N 3.45Å; A210-I213 PolarHBondContact O-N 2.91Å
214W62.8Low65.9Low223 Ų223116.2 Ų116.285%0.84565%0.651SS**SBendtrans-102.622.8176-83.453.6000117.3A210 V216A210-W214 WeakPolarHBondContact O-CB 3.37Å; A210-W214 PolarHBondContact O-N 3.41Å; W214-V216 PolarHBondContact O-N 3.03Å
215P54.2Low64.2Low77 Ų77119 Ų11950%0.567%0.667SS.*  trans-79.2104170.733.3-26.6000106.9A211 L212A211-P215 VanDerWaalsContact O-CD 3.26Å; A211-P215 WeakPolarHBondContact O-CD 3.39Å; L212-P215 WeakPolarHBondContact O-CD 3.36Å; L212-P215 VanDerWaalsContact O-CG 3.27Å; L212-P215 WeakPolarHBondContact O-CG 3.38Å
216V54.5Low62.5Low102 Ų102117.5 Ų117.562%0.61867%0.672SS**  trans91.9115.2153.1-168.50000116.3W214 I218W214-V216 PolarHBondContact O-N 3.03Å; V216-I218 WeakPolarHBondContact CG1-O 3.45Å
217P47.9Very low61Low132 Ų132121.9 Ų121.986%0.85769%0.688SS**SBend-122.958.9111.838.7-32.6000109.8
218I54.7Low59.4Low140 Ų140121.9 Ų121.972%0.71870%0.697SS**SBendtrans-12781.6166.3-50.7-176.8000106.7V216V216-I218 WeakPolarHBondContact CG1-O 3.45Å
219I54.3Low58.2Low159 Ų159127.8 Ų127.882%0.81572%0.718SS**SBendtrans160.856.2153.6-69.3145.8000107.7
220A49.9Very low56.5Low91 Ų91135.8 Ų135.875%0.75274%0.742SS**SBendtrans-147.48.7159.200000112.6
221G51.3Low55.1Low71 Ų71147.9 Ų147.973%0.73278%0.775SS**SBendtrans-999.9177.100000114.6
222F51.1Low54Low199 Ų199152.1 Ų152.187%0.87379%0.787SS**  trans-128.649.4178-69.3-72.4000111.5P224F222-P224 VanDerWaalsContact O-CD 3.25Å; F222-P224 WeakPolarHBondContact O-CD 3.25Å
223L44.5Very low53.2Low155 Ų155153.4 Ų153.481%0.81279%0.794SS**  trans-81.1106.3150-88.6149.4000105.9N225L223-N225 PolarHBondContact O-N 3.16Å; L223-N225 VanDerWaalsContact O-N 3.13Å
224P47.5Very low52.1Low117 Ų117154.8 Ų154.876%0.7680%0.802SS**  trans-58.5122.3171.224.6-30.5000107F222 G226F222-P224 VanDerWaalsContact O-CD 3.25Å; F222-P224 WeakPolarHBondContact O-CD 3.25Å; P224-G226 PolarHBondContact O-N 3.13Å; P224-G226 VanDerWaalsContact O-N 3.16Å
225N48.1Very low51.5Low165 Ų165150.8 Ų150.888%0.88280%0.799SS**  trans-43.6125171.8-89.7-32.1000109L223 M227L223-N225 PolarHBondContact O-N 3.16Å; L223-N225 VanDerWaalsContact O-N 3.13Å; N225-M227 PolarHBondContact O-N 3.26Å
226G51.4Low51.3Low54 Ų54155.4 Ų155.456%0.55782%0.818SS**  trans-54.5126.3174.700000110.1P224 E228P224-G226 PolarHBondContact O-N 3.13Å; P224-G226 VanDerWaalsContact O-N 3.16Å; G226-E228 PolarHBondContact O-N 2.93Å
227M56.8Low51.1Low187 Ų187159 Ų15992%0.92183%0.831SS**  28.664.4125.461.4-152.4-83.700117.1N225 Q229N225-M227 PolarHBondContact O-N 3.26Å; M227-Q229 VanDerWaalsContact C-N 3.26Å; M227-Q229 PolarHBondContact O-N 3.25Å
228E53.2Low51.3Low195 Ų195160.9 Ų160.991%0.91183%0.829SS**  trans-8772.7156.6-159.895.1179.600108.2G226G226-E228 PolarHBondContact O-N 2.93Å
229Q55.5Low51Low179 Ų179162.5 Ų162.584%0.83684%0.838SS**  trans-134.695160.5-170.8146.214.300109.4M227M227-Q229 VanDerWaalsContact C-N 3.26Å; M227-Q229 PolarHBondContact O-N 3.25Å
230R49.3Very low50.8Low230 Ų230162.8 Ų162.887%0.86884%0.84SS**  trans-167.2117.1141.8-107.6178.8-152.7-129.26.1111.9
231R50.9Low50.9Low311 Ų311169.4 Ų169.4100%1.17485%0.848SS**  trans77.60158.4-74.9-176.4178.7163.3-0.9118.5

Retrieved 231 of 231 residues in 96.9 ms (Link to these results)