A0A3B3UPK9_9TELE Loading...

Si:dkeyp-74b6.2

AlphaFold DB , UniProt , Accession A0A3B3UPK9, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 207 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
1M36.2Very low37.6Very low251 Ų251145.2 Ų145.2100%1.23682%0.821SS**  0126.40-82.5178.6-130.200107.1
2A33.2Very low37.9Very low96 Ų96146.9 Ų146.979%0.79383%0.825SS**  cis-166.6139.6-22.100000104.4
3F35.1Very low39Very low196 Ų196144.5 Ų144.586%0.8682%0.815SS**  trans-82156.8161.2-71.1-82.1000109.1
4P43.5Very low39.6Very low119 Ų119140 Ų14077%0.77380%0.795SS**  -143.8151.390.420.24.5000114.1
5F32.3Very low39.9Very low174 Ų174142.9 Ų142.976%0.76380%0.799SS**  81.8115.769.5-87.8-95000117.9
6F30Very low40.1Very low182 Ų182142.9 Ų142.980%0.79880%0.796SS**  trans80.6132136-97.4-113.1000127
7N33.2Very low40.7Very low146 Ų146141.2 Ų141.278%0.78178%0.783SS**  trans-19.1172.6157.7-112.3-4.6000120.9
8P42.1Very low41Very low113 Ų113143.4 Ų143.473%0.73478%0.784SS**  cis-143.9-177.424.337.4-13.5000117.9
9A39.7Very low41.1Very low90 Ų90143.3 Ų143.374%0.74478%0.782SS**  trans-70165.1171.500000114.4
10P42.4Very low41.4Very low127 Ų127140.7 Ų140.783%0.82577%0.77SS**  -138.7156.2124.433.9-18.2000115.6
11S45.4Very low41.7Very low103 Ų103136.1 Ų136.172%0.7276%0.755SS**  trans-61.1138.2175.950.60000115.6
12L41.7Very low42.1Very low166 Ų166131.6 Ų131.687%0.86974%0.735SS**  trans-141.675.3156.2-92.7164.4000110.1
13V51.6Low42.6Very low115 Ų115134.2 Ų134.270%0.69774%0.735SS**  trans-85.997.8160.7177.10000106.1I17V13-I17 HydrophobicContact CG1-CD1 3.75Å
14P48.1Very low43.2Very low82 Ų82131.6 Ų131.653%0.53273%0.729SS.*SBendtrans-1514.8136.730.7-9.7000117
15Q43.4Very low43.6Very low183 Ų183133 Ų13386%0.85573%0.729SS**SBendtrans-103.4-12.3-174.8-74.6-169.7-23.200116
16L43.2Very low44.2Very low144 Ų144127.9 Ų127.975%0.75473%0.725SS**SBendtrans-92-10.1180-152.871.4000114.1V20L16-V20 WeakPolarHBondContact O-CG2 3.46Å
17I51.3Low45Very low113 Ų113127.9 Ų127.958%0.57973%0.728SS**Hα-helixtrans-83.4-26.5-174.2-63.5172.9000112V13V13-I17 HydrophobicContact CG1-CD1 3.75Å
18F45.1Very low45.6Very low181 Ų181133.7 Ų133.779%0.79474%0.739SS**Hα-helixtrans-81.6-19.3-178.1-98.1-84.8000114.9
19L43Very low46Very low142 Ų142130.7 Ų130.774%0.74373%0.729SS**Hα-helixtrans-87.2-21176.1-126.992.5000113.4
20V48.5Very low46.4Very low91 Ų91132.7 Ų132.755%0.55273%0.734SS**Hα-helixtrans-85.4-25.9179.2-177.30000111.5L16L16-V20 WeakPolarHBondContact O-CG2 3.46Å
21G46.3Very low46.6Very low44 Ų44132.1 Ų132.145%0.45473%0.733SS.*SBendtrans-72.5-26.3-179.800000115.5
22L45.2Very low46.5Very low156 Ų156130.5 Ų130.582%0.81773%0.732SS**SBendtrans-91.6-10.9-176.4-133.895.1000114.4
23L44.2Very low46.7Very low152 Ų152128.5 Ų128.580%0.79673%0.727SS**SBendtrans-90.4-5.5176.8-116.1126.1000113.3
24L47.7Very low46.6Very low140 Ų140127.9 Ų127.973%0.73373%0.728SS**SBendtrans-101.46.5-175.8-75.4169.3000115
25I50.3Low46.5Very low149 Ų149128 Ų12876%0.76473%0.73SS**SBendtrans-111.39.8-179.7-41.5-179.2000112.1
26G46.8Very low46.8Very low67 Ų67126.4 Ų126.469%0.69172%0.722SS**SBendtrans-103.50.6-173.400000117.6
27Q46.6Very low47.3Very low182 Ų182126 Ų12685%0.8572%0.721SS**  trans-135.944.6-170.5-73.9-165.6-18.500114.8
28W44.9Very low47.4Very low267 Ų267125.8 Ų125.8100%1.01172%0.721SS**  trans-115.564.3163.2-82.836.5000109.5
29G51.2Low48.3Very low51 Ų51123.1 Ų123.153%0.52672%0.72SS.*SBendtrans-90.5148152.400000108.1S31G29-S31 PolarHBondContact O-N 2.76Å
30P47.8Very low49.5Very low132 Ų132124.4 Ų124.486%0.85772%0.722SS**  trans-55.9114.5177.523.7-31000107.7G32P30-G32 PolarHBondContact O-N 3.14Å
31S47.3Very low50.1Low115 Ų115125.3 Ų125.380%0.80473%0.73SS**  trans-60.299.7167.8-39.30000104.6G29 V33G29-S31 PolarHBondContact O-N 2.76Å; S31-V33 PolarHBondContact O-N 2.82Å
32G42.8Very low51.2Low68 Ų68130.3 Ų130.370%0.70174%0.744SS**  trans-50.7116.6171.800000105.9P30 S34P30-G32 PolarHBondContact O-N 3.14Å; G32-S34 PolarHBondContact O-N 3.22Å
33V46.3Very low52.3Low124 Ų124128.1 Ų128.175%0.75274%0.737SS**  trans-61.595.5164.31790000103.7S31 C35S31-V33 PolarHBondContact O-N 2.82Å; V33-C35 PolarHBondContact O-N 3.42Å
34S49Very low52.9Low102 Ų102128.2 Ų128.271%0.71374%0.738SS**  trans-66.790.4159-176.50000103.7G32 Q36G32-S34 PolarHBondContact O-N 3.22Å; S34-Q36 PolarHBondContact O-N 3.35Å
35C46Very low53.6Low86 Ų86130.2 Ų130.258%0.58174%0.743SS**  trans-58.598158.5-62.70000104.1V33 N37V33-C35 PolarHBondContact O-N 3.42Å; C35-N37 PolarHBondContact O-N 2.83Å
36Q50Low54.2Low148 Ų148126.5 Ų126.569%0.69274%0.742SS**  trans-60.390.1156.8-100.2172.5-61.900104.9S34 D38S34-Q36 PolarHBondContact O-N 3.35Å; Q36-D38 HydrophobicContact CB-CB 4.39Å; Q36-D38 VanDerWaalsContact CD-OD2 3.22Å; Q36-D38 WeakPolarHBondContact CG-OD2 3.43Å; Q36-D38 PolarHBondContact NE2-OD2 3.22Å; Q36-D38 PolarHBondContact O-N 3.46Å
37N52.7Low55Low137 Ų137132.9 Ų132.973%0.73375%0.751SS**  trans-72.455.3159.4-73.2-14.6000107.2C35 T39C35-N37 PolarHBondContact O-N 2.83Å; N37-T39 PolarHBondContact O-N 3.38Å
38D54Low55.9Low107 Ų107129.7 Ų129.757%0.57275%0.747SS**  trans-7859.7171.2-69.3-8.2000107.1Q36 E40Q36-D38 HydrophobicContact CB-CB 4.39Å; Q36-D38 VanDerWaalsContact CD-OD2 3.22Å; Q36-D38 WeakPolarHBondContact CG-OD2 3.43Å; Q36-D38 PolarHBondContact NE2-OD2 3.22Å; Q36-D38 PolarHBondContact O-N 3.46Å; D38-E40 PolarHBondContact O-N 2.88Å; D38-E40 VanDerWaalsContact O-N 3.09Å
39T62.7Low56.9Low126 Ų126120.9 Ų120.977%0.77372%0.719SS**  trans-76.879.2153.340.10000105.8N37N37-T39 PolarHBondContact O-N 3.38Å
40E68.2Low57.9Low168 Ų168123.9 Ų123.979%0.78573%0.727SS**  trans-52.8125.9159-70.2-169.5167.300106.6D38 I42D38-E40 PolarHBondContact O-N 2.88Å; D38-E40 VanDerWaalsContact O-N 3.09Å; E40-I42 PolarHBondContact O-N 3.17Å
41P61.7Low58.8Low111 Ų111121.7 Ų121.772%0.72171%0.711SS**  trans-60120.417924-31.6000107.7V43P41-V43 PolarHBondContact O-N 3.13Å
42I70.7Confident59.9Low148 Ų148121.4 Ų121.476%0.75971%0.708SS**  trans-62.1105.8168.5-61.6174.1000105.6E40 L44E40-I42 PolarHBondContact O-N 3.17Å; I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 HydrophobicContact CG2-CD2 3.83Å; I42-L44 HydrophobicContact CG2-CG 4.43Å; I42-L44 PolarHBondContact O-N 3.42Å
43V67.2Low60.8Low111 Ų111122.7 Ų122.767%0.67370%0.699SS**  trans-68.299.4172.9-1770000106.3P41 E45P41-V43 PolarHBondContact O-N 3.13Å; V43-E45 VanDerWaalsContact C-N 3.3Å; V43-E45 HydrophobicContact CG1-CG 3.8Å; V43-E45 PolarHBondContact O-N 3.4Å
44L57.5Low61Low154 Ų154122 Ų12281%0.80670%0.699SS**  trans-73.889.8171.3-62.9177.1000107.6I42 G46I42-L44 VanDerWaalsContact C-N 3.34Å; I42-L44 HydrophobicContact CG2-CD2 3.83Å; I42-L44 HydrophobicContact CG2-CG 4.43Å; I42-L44 PolarHBondContact O-N 3.42Å; L44-G46 PolarHBondContact O-N 3.39Å
45E62.8Low61.3Low181 Ų181121.1 Ų121.185%0.84669%0.69SS**  trans-73.7109.8171.4-64.3-167.9169.500109.4V43V43-E45 VanDerWaalsContact C-N 3.3Å; V43-E45 HydrophobicContact CG1-CG 3.8Å; V43-E45 PolarHBondContact O-N 3.4Å
46G61.5Low61.4Low71 Ų71122.5 Ų122.573%0.73270%0.698SS**  trans-161.7152.1178.700000112.4L44L44-G46 PolarHBondContact O-N 3.39Å
47K64Low61.3Low201 Ų201121.3 Ų121.387%0.87471%0.706SS**  trans-86.2112.1169.7-69.8-177.4-178.11790108.5
48C66.1Low61Low115 Ų115118.7 Ų118.778%0.77770%0.703SS**  trans-94.5132.5173.1-172.20000109.8
49L66.3Low60.8Low82 Ų82119.8 Ų119.843%0.42971%0.705SS.*  trans-112.2115.6166.4-172.5103.5000108.3V51 F202 V204L49-V51 HydrophobicContact CD2-CG2 3.44Å; L49-V51 VanDerWaalsContact CD2-CG2 3.44Å; L49-V51 HydrophobicContact CG-CG2 4.29Å; L49-F202 HydrophobicContact CD2-CE2 3.31Å; L49-F202 HydrophobicContact CD2-CZ 3.38Å; L49-V204 HydrophobicContact CD2-CG1 4.16Å; L49-V204 HydrophobicContact CD2-CG2 4.32Å
50V71.1Confident60.1Low115 Ų115119 Ų11970%0.69770%0.702SS**  trans-94.8117.4175.7-176.50000108.5
51V66.9Low59.6Low86 Ų86116 Ų11652%0.52170%0.699SS.*  trans-108.1107.2173.8-174.80000107.9L49 F202L49-V51 HydrophobicContact CD2-CG2 3.44Å; L49-V51 VanDerWaalsContact CD2-CG2 3.44Å; L49-V51 HydrophobicContact CG-CG2 4.29Å; V51-F202 HydrophobicContact CG2-CE2 4.45Å
52C70.8Confident58.7Low108 Ų108114.1 Ų114.173%0.7370%0.7SS**  trans-88.8115.9174.8-61.40000109.2S54C52-S54 PolarHBondContact O-N 2.7Å
53D60.5Low57.8Low95 Ų95115.6 Ų115.651%0.50871%0.709SS.*  trans-82.797.6171.6-162.5-1.4000108.2T55 R75D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.75Å; D53-T55 VanDerWaalsContact O-N 3.07Å; D53-R75 IonicContact OD2-NH2 2.9Å
54S50.9Low56.5Low109 Ų109114.3 Ų114.376%0.76271%0.71SS**  trans-80.477.9171.246.50000109.2C52 P56C52-S54 PolarHBondContact O-N 2.7Å; S54-P56 VanDerWaalsContact C-CD 3.42Å; S54-P56 WeakPolarHBondContact O-CD 3.44Å
55T55.6Low56.1Low84 Ų84116 Ų11652%0.51572%0.72SS.*  trans-92.191.5160.752.70000108.8D53 S57D53-T55 VanDerWaalsContact C-N 3.26Å; D53-T55 PolarHBondContact O-N 2.75Å; D53-T55 VanDerWaalsContact O-N 3.07Å; T55-S57 PolarHBondContact O-N 3.2Å
56P47.9Very low55Low115 Ų115110 Ų11075%0.74771%0.706SS**  trans-69.1104.3166.928.9-31.6000107.5S54 A58S54-P56 VanDerWaalsContact C-CD 3.42Å; S54-P56 WeakPolarHBondContact O-CD 3.44Å; P56-A58 PolarHBondContact O-N 3.41Å
57S48.5Very low54.3Low124 Ų124113.8 Ų113.887%0.86771%0.706SS**  trans-72.782.1166.661.70000108.8T55T55-S57 PolarHBondContact O-N 3.2Å
58A45.3Very low53.2Low81 Ų81107.9 Ų107.967%0.66969%0.69SS**  trans-125.293.4164.600000107.8P56P56-A58 PolarHBondContact O-N 3.41Å
59E51.8Low52.4Low130 Ų130107 Ų10761%0.60768%0.682SS**  trans-70.5135.3150.2-74.9-94.1160.400106.3R70E59-R70 IonicContact OE1-CZ 3.96Å; E59-R70 IonicContact OE1-NH1 2.7Å; E59-R70 PolarHBondContact OE1-NH1 3.1Å; E59-R70 IonicContact OE1-NH2 3.13Å; E59-R70 PolarHBondContact OE1-NH2 3.4Å
60P47.9Very low51.5Low111 Ų111111.3 Ų111.372%0.72169%0.692SS**  -138.7144.973.234.4-17.5000114.5
61S55.8Low50.3Low104 Ų104109.2 Ų109.273%0.72768%0.682SS**  trans41.2113.4146.863.60000118.8
62G44.1Very low49.6Very low71 Ų71108.1 Ų108.173%0.73269%0.689SS**  trans142.1103.6151.800000113.6A64G62-A64 PolarHBondContact O-N 3.04Å; G62-A64 VanDerWaalsContact O-N 3.14Å
63N51.3Low49Very low179 Ų179108.5 Ų108.596%0.95769%0.688SS**  trans8.990.1153.9-65.9-8.7000116.1
64A40.6Very low49.6Very low84 Ų84105.2 Ų105.269%0.69468%0.677SS**  trans-132134157.500000107.3G62 G66G62-A64 PolarHBondContact O-N 3.04Å; G62-A64 VanDerWaalsContact O-N 3.14Å; A64-G66 PolarHBondContact O-N 3.43Å
65L49.1Very low51.4Low191 Ų191108.1 Ų108.1100%167%0.671SS**  trans-66.835.2172.4-71164.5000112.4M67L65-M67 PolarHBondContact O-N 2.86Å
66G40.2Very low53.3Low54 Ų54104.6 Ų104.656%0.55765%0.649SS**  trans-77.2119.3175.500000108.6A64 S68A64-G66 PolarHBondContact O-N 3.43Å; G66-S68 PolarHBondContact O-N 2.68Å
67M45Very low55.7Low150 Ų150100.5 Ų100.574%0.73963%0.625SS**  trans-51.788.1161.7-74.1169.925.800108.7L65 V69L65-M67 PolarHBondContact O-N 2.86Å; M67-V69 PolarHBondContact O-N 2.92Å
68S42.4Very low58Low77 Ų7794.8 Ų94.854%0.53859%0.585SS.*  trans-66.3109176.6-167.90000106.4G66 R70G66-S68 PolarHBondContact O-N 2.68Å; S68-R70 PolarHBondContact O-N 3.43Å; S68-R70 WeakPolarHBondContact OG-CD 3.35Å; S68-R70 WeakPolarHBondContact OG-CG 3.45Å
69V48.7Very low60.6Low98 Ų9892.2 Ų92.259%0.59456%0.562SS**  trans-68.662.7165.9-175.80000107.5M67M67-V69 PolarHBondContact O-N 2.92Å
70R46.4Very low62.8Low171 Ų17186 Ų8665%0.64553%0.533SS*.  trans-104.63.7176.4-89-176-172.8-1627.2112.8E59 S68E59-R70 IonicContact OE1-CZ 3.96Å; E59-R70 IonicContact OE1-NH1 2.7Å; E59-R70 PolarHBondContact OE1-NH1 3.1Å; E59-R70 IonicContact OE1-NH2 3.13Å; E59-R70 PolarHBondContact OE1-NH2 3.4Å; S68-R70 PolarHBondContact O-N 3.43Å; S68-R70 WeakPolarHBondContact OG-CD 3.35Å; S68-R70 WeakPolarHBondContact OG-CG 3.45Å
71S46.4Very low65.2Low71 Ų7182.5 Ų82.550%0.49751%0.507SS..SBendtrans-127.7139-179.6-155.60000108.7T73S71-T73 WeakPolarHBondContact CB-OG1 3.39Å; S71-T73 PolarHBondContact O-N 3.44Å; S71-T73 PolarHBondContact O-OG1 3.27Å; S71-T73 WeakPolarHBondContact OG-CG2 3.36Å
72G52Low67.2Low64 Ų6478.4 Ų78.466%0.6648%0.476SS*.THydrogen-bonded Turntrans-58.916.3172.900000114.5
73T59.2Low69.6Low116 Ų11678.8 Ų78.871%0.71246%0.461SS*.THydrogen-bonded Turntrans-84.6-4.1179.658.50000113.7S71S71-T73 WeakPolarHBondContact CB-OG1 3.39Å; S71-T73 PolarHBondContact O-N 3.44Å; S71-T73 PolarHBondContact O-OG1 3.27Å; S71-T73 WeakPolarHBondContact OG-CG2 3.36Å
74G73.4Confident71.6Confident26 Ų2672 Ų7227%0.26843%0.427SS..SBendtrans-99.6-14.3177.400000115
75R87.6Confident73.9Confident170 Ų17072 Ų7264%0.64242%0.415SS*.  trans-87.2130.7-176.6-63178.9-175.6172.70109.4D53 V107D53-R75 IonicContact OD2-NH2 2.9Å; R75-V107 HydrophobicContact CB-CG1 4.03Å; R75-V107 WeakPolarHBondContact O-CG1 3.18Å
76V95.8Very high75.8Confident9 Ų969.1 Ų69.16%0.05540%0.396CS..  trans-137.4121.1-179.9-178.60000107.7F118 P121 Y126 F202 L203V76-F118 HydrophobicContact CG1-CE2 3.74Å; V76-F118 HydrophobicContact CG1-CZ 3.69Å; V76-P121 HydrophobicContact CG1-CG 4.29Å; V76-P121 HydrophobicContact CG2-CG 3.68Å; V76-Y126 HydrophobicContact CG1-CE1 4.26Å; V76-F202 CarbonylContact O-C 3.56Å; V76-F202 VanDerWaalsContact O-CA 3.22Å; V76-F202 WeakPolarHBondContact O-CA 3.31Å; V76-F202 VanDerWaalsContact O-CB 3.26Å; V76-F202 WeakPolarHBondContact O-CB 3.21Å; V76-L203 HydrophobicContact CB-CB 3.78Å; V76-L203 HydrophobicContact CG2-CB 4.29Å; V76-L203 HydrophobicContact CG2-CD2 4.22Å; V76-L203 PolarHBondContact O-N 2.88Å
77A97.3Very high78.2Confident29 Ų2970.8 Ų70.824%0.2439%0.389CS..EExtended strand (participates in β ladder)trans-157143.7176.800000110.1V105 N106 V107 G201 F202A77-V105 HydrophobicContact CB-CG1 4.25Å; A77-N106 CarbonylContact O-C 3.45Å; A77-N106 WeakPolarHBondContact O-CA 3.47Å; A77-V107 HydrophobicContact CB-CB 4.38Å; A77-V107 HydrophobicContact CB-CG2 4.42Å; A77-V107 PolarHBondContact N-O 3.11Å; A77-V107 PolarHBondContact O-N 3.11Å; A77-G201 CarbonylContact C-O 3.58Å; A77-G201 WeakPolarHBondContact CA-O 3.39Å; A77-F202 HydrophobicContact CB-CB 3.8Å
78F98.6Very high80.2Confident5 Ų564.4 Ų64.42%0.02236%0.359CS..EExtended strand (participates in β ladder)trans-138.1155168.876.6-80.7000111V105 F111 F118 F128 F199 S200 G201F78-V105 CarbonylContact C-O 3.57Å; F78-V105 WeakPolarHBondContact CA-O 3.22Å; F78-F111 HydrophobicContact CB-CB 3.7Å; F78-F111 HydrophobicContact CB-CG 4.24Å; F78-F111 HydrophobicContact CD1-CD2 4.49Å; F78-F111 HydrophobicContact CD2-CB 4.07Å; F78-F111 HydrophobicContact CD2-CD1 4.48Å; F78-F111 AromaticContact CD2-CD2 3.34Å; F78-F111 HydrophobicContact CD2-CD2 3.34Å; F78-F111 AromaticContact CD2-CE2 3.81Å; F78-F111 HydrophobicContact CD2-CE2 3.81Å; F78-F111 AromaticContact CD2-CG 3.72Å; F78-F111 HydrophobicContact CD2-CG 3.72Å; F78-F111 AromaticContact CE2-CD2 3.51Å; F78-F111 HydrophobicContact CE2-CD2 3.51Å; F78-F111 AromaticContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CG 4.34Å; F78-F111 HydrophobicContact CG-CB 3.85Å; F78-F111 AromaticContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CG 4.04Å; F78-F111 HydrophobicContact CZ-CD2 4.17Å; F78-F111 HydrophobicContact CZ-CE2 4.44Å; F78-F118 HydrophobicContact CD1-CB 4.42Å; F78-F118 AromaticContact CD1-CD2 3.39Å; F78-F118 HydrophobicContact CD1-CD2 3.39Å; F78-F118 AromaticContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CG 4.06Å; F78-F118 HydrophobicContact CE1-CB 3.93Å; F78-F118 AromaticContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CE2 4.23Å; F78-F118 AromaticContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CG-CD2 4.26Å; F78-F118 HydrophobicContact CZ-CB 4.19Å; F78-F118 HydrophobicContact CZ-CG 4.5Å; F78-F128 AromaticContact CE1-CD1 3.99Å; F78-F128 HydrophobicContact CE1-CD1 3.99Å; F78-F128 AromaticContact CE1-CE1 3.62Å; F78-F128 HydrophobicContact CE1-CE1 3.62Å; F78-F128 AromaticContact CZ-CD1 3.89Å; F78-F128 HydrophobicContact CZ-CD1 3.89Å; F78-F128 AromaticContact CZ-CE1 3.84Å; F78-F128 HydrophobicContact CZ-CE1 3.84Å; F78-F199 AromaticContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD2 4.3Å; F78-F199 AromaticContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE2 4.38Å; F78-F199 AromaticContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CZ 4.15Å; F78-F199 HydrophobicContact CZ-CD1 4.14Å; F78-F199 HydrophobicContact CZ-CD2 4.28Å; F78-F199 AromaticContact CZ-CE1 3.79Å; F78-F199 HydrophobicContact CZ-CE1 3.79Å; F78-F199 AromaticContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CG 4.37Å; F78-F199 AromaticContact CZ-CZ 3.7Å; F78-F199 HydrophobicContact CZ-CZ 3.7Å; F78-S200 WeakPolarHBondContact O-CA 3.47Å; F78-S200 WeakPolarHBondContact O-CB 3.48Å; F78-G201 WeakPolarHBondContact CD1-O 3.4Å; F78-G201 VanDerWaalsContact CE1-CA 3.49Å; F78-G201 PolarHBondContact N-O 2.99Å; F78-G201 PolarHBondContact O-N 3.17Å
79S98.6Very high82.3Confident27 Ų2764 Ų6419%0.18936%0.356CS..EExtended strand (participates in β ladder)trans-150.3125.2171.8-176.30000108.2L104 V105S79-L104 PolarHBondContact O-N 3.02Å; S79-V105 PolarHBondContact N-O 2.82Å; S79-V105 PolarHBondContact O-N 2.9Å; S79-V105 VanDerWaalsContact O-N 3.13Å
80A98.6Very high84Confident0 Ų068 Ų680%037%0.368CS..EExtended strand (participates in β ladder)trans-132.1146.7-177.200000110.2F100 Q102 I103 F111 T198 F199A80-F100 HydrophobicContact CB-CB 3.69Å; A80-F100 HydrophobicContact CB-CG 4.13Å; A80-Q102 CarbonylContact C-O 3.59Å; A80-Q102 WeakPolarHBondContact CA-O 3.41Å; A80-I103 HydrophobicContact CB-CD1 3.67Å; A80-F111 HydrophobicContact CB-CE1 3.87Å; A80-F111 HydrophobicContact CB-CZ 4Å; A80-T198 WeakPolarHBondContact O-CA 3.38Å; A80-F199 PolarHBondContact N-O 2.86Å; A80-F199 PolarHBondContact O-N 2.88Å
81I98.4Very high85.5Confident36 Ų3666 Ų6619%0.18537%0.368CS..EExtended strand (participates in β ladder)trans-133.1155.5-179.569.4173000111.3D101 Q102 L104 S197 T198I81-D101 PolarHBondContact O-N 2.79Å; I81-Q102 HydrophobicContact CD1-CB 4.48Å; I81-Q102 HydrophobicContact CD1-CG 4.37Å; I81-Q102 HydrophobicContact CG1-CB 3.79Å; I81-Q102 HydrophobicContact CG1-CG 4.08Å; I81-Q102 PolarHBondContact N-O 2.82Å; I81-Q102 PolarHBondContact O-N 2.83Å; I81-Q102 VanDerWaalsContact O-N 3.1Å; I81-L104 HydrophobicContact CD1-CD1 4.33Å; I81-L104 HydrophobicContact CD1-CD2 4.08Å; I81-L104 HydrophobicContact CD1-CG 4.42Å; I81-L104 HydrophobicContact CG1-CD2 4.41Å; I81-L104 HydrophobicContact CG1-CG 4.4Å; I81-L104 HydrophobicContact CG2-CD1 3.63Å; I81-L104 HydrophobicContact CG2-CG 4.17Å; I81-S197 CarbonylContact C-O 3.47Å; I81-S197 VanDerWaalsContact CA-O 3.28Å; I81-S197 WeakPolarHBondContact CA-O 3.29Å; I81-T198 HydrophobicContact CG2-CG2 3.92Å
82R97.1Very high87.3Confident19 Ų1963.2 Ų63.27%0.07235%0.348CS..  trans-94.9113.3168.4-174.774175.7161-15.2108.9T84 H86 F100 D101 W194 Y196 S197R82-T84 WeakPolarHBondContact CG-O 3.46Å; R82-T84 PolarHBondContact NE-O 2.85Å; R82-T84 PolarHBondContact NE-OG1 2.69Å; R82-T84 PolarHBondContact NH1-OG1 2.93Å; R82-H86 PolarHBondContact NH2-O 2.76Å; R82-F100 HydrophobicContact CB-CD1 4.44Å; R82-D101 WeakPolarHBondContact CD-OD1 3.43Å; R82-D101 IonicContact CZ-OD1 2.85Å; R82-D101 IonicContact NE-OD1 3.63Å; R82-D101 IonicContact NH1-OD1 3.56Å; R82-D101 PolarHBondContact NH1-OD1 3.01Å; R82-W194 WeakPolarHBondContact CB-O 3.29Å; R82-W194 VanDerWaalsContact CD-NE1 3.3Å; R82-W194 HydrophobicContact CG-CD2 4.3Å; R82-W194 HydrophobicContact CG-CG 4.01Å; R82-W194 WeakPolarHBondContact CG-O 3.49Å; R82-Y196 PolarHBondContact O-N 3.15Å; R82-S197 PolarHBondContact N-O 2.92Å
83N95.1Very high88.8Confident78 Ų7863.8 Ų63.842%0.41734%0.336SS..  trans-99.1-5.4-179.1-161.213.2000113.4D101 Q102 K195N83-D101 WeakPolarHBondContact CB-OD2 3.5Å; N83-D101 PolarHBondContact N-OD1 3.44Å; N83-D101 PolarHBondContact N-OD2 3.17Å; N83-D101 VanDerWaalsContact N-OD2 3.11Å; N83-Q102 PolarHBondContact ND2-OE1 3.09Å; N83-K195 WeakPolarHBondContact O-CD 3.35Å; N83-K195 WeakPolarHBondContact O-CE 3.42Å; N83-K195 PolarHBondContact O-NZ 3.1Å
84T92.4Very high90.2Very high38 Ų3868.9 Ų68.923%0.23334%0.342CS..  trans-117.6151.6-176.364.60000112.8R82 H86 D101 K195R82-T84 WeakPolarHBondContact CG-O 3.46Å; R82-T84 PolarHBondContact NE-O 2.85Å; R82-T84 PolarHBondContact NE-OG1 2.69Å; R82-T84 PolarHBondContact NH1-OG1 2.93Å; T84-H86 VanDerWaalsContact C-N 3.25Å; T84-D101 PolarHBondContact OG1-OD1 3.09Å; T84-D101 VanDerWaalsContact OG1-OD1 3.11Å; T84-K195 WeakPolarHBondContact O-CB 3.4Å
85N89.4Confident91Very high83 Ų8370.5 Ų70.544%0.44435%0.347SS..  trans-91.919.8168.6-73.3-41.2000111.7E87 K195N85-E87 PolarHBondContact O-N 2.79Å; N85-K195 WeakPolarHBondContact OD1-CB 3.33Å
86H90.1Very high91.3Very high131 Ų13166 Ų6661%0.60633%0.334SS*.PPolyproline II helixtrans-65.4140179.6-66.4164.6000110.4R82 T84 W194R82-H86 PolarHBondContact NH2-O 2.76Å; T84-H86 VanDerWaalsContact C-N 3.25Å; H86-W194 WeakPolarHBondContact O-CZ3 3.35Å
87E89.3Confident91.4Very high89 Ų8966.5 Ų66.542%0.41634%0.338SS..PPolyproline II helixtrans-56.2155.7173.5-64.7-60.8162.500111.6N85 S89 M191 G192N85-E87 PolarHBondContact O-N 2.79Å; E87-S89 PolarHBondContact O-N 3.06Å; E87-M191 HydrophobicContact CG-CE 4.47Å; E87-M191 WeakPolarHBondContact OE2-CA 3.45Å; E87-M191 WeakPolarHBondContact OE2-CE 3.41Å; E87-G192 VanDerWaalsContact CD-N 3.32Å; E87-G192 WeakPolarHBondContact OE1-CA 3.31Å; E87-G192 PolarHBondContact OE1-N 3.45Å; E87-G192 PolarHBondContact OE2-N 2.91Å; E87-G192 VanDerWaalsContact OE2-N 3.07Å
88P86.6Confident91.4Very high15 Ų1565.2 Ų65.210%0.09733%0.326CS..PPolyproline II helixtrans-57.5137.5173.1-19.129.9000111.1N93 L190 W194P88-N93 WeakPolarHBondContact CB-OD1 3.34Å; P88-L190 HydrophobicContact CG-CB 4.18Å; P88-W194 HydrophobicContact CB-CH2 4.3Å; P88-W194 HydrophobicContact CB-CZ3 4.19Å; P88-W194 HydrophobicContact CG-CH2 4.3Å; P88-W194 HydrophobicContact CG-CZ3 3.7Å
89S86.9Confident91.3Very high70 Ų7068.6 Ų68.649%0.4934%0.34SS..PPolyproline II helixtrans-67.2162.1170.964.90000110.9E87 M91 S92 N93E87-S89 PolarHBondContact O-N 3.06Å; S89-M91 PolarHBondContact O-N 2.71Å; S89-S92 PolarHBondContact O-N 3.41Å; S89-S92 PolarHBondContact OG-N 2.83Å; S89-N93 PolarHBondContact O-N 2.7Å
90E84.3Confident91.2Very high180 Ų18067.3 Ų67.384%0.84133%0.331SS*.Hα-helixtrans-53.3-39173.6-67.7-174.1168.800112.3N93 R94E90-N93 PolarHBondContact O-N 3.27Å; E90-R94 PolarHBondContact O-N 3.04Å
91M79Confident91Very high130 Ų13069.9 Ų69.964%0.6435%0.345SS*.Hα-helixtrans-63.4-46.1175.9-172.86470.900111.8S89 N93 R94 T95S89-M91 PolarHBondContact O-N 2.71Å; M91-N93 VanDerWaalsContact C-N 3.32Å; M91-N93 PolarHBondContact O-N 2.69Å; M91-R94 PolarHBondContact O-N 3.42Å; M91-R94 VanDerWaalsContact O-N 3.1Å; M91-T95 HydrophobicContact CG-CG2 4.45Å; M91-T95 PolarHBondContact O-N 3.04Å; M91-T95 PolarHBondContact O-OG1 2.72Å; M91-T95 HydrophobicContact SD-CG2 4.08Å
92S83Confident91Very high12 Ų1271.5 Ų71.58%0.08435%0.351CS..Hα-helixtrans-63.4-38.5178.3-177.30000111.5S89 R94 M96 T97S89-S92 PolarHBondContact O-N 3.41Å; S89-S92 PolarHBondContact OG-N 2.83Å; S92-R94 VanDerWaalsContact C-N 3.29Å; S92-R94 PolarHBondContact O-N 2.78Å; S92-M96 WeakPolarHBondContact O-CA 3.42Å; S92-M96 PolarHBondContact O-N 2.92Å; S92-T97 PolarHBondContact OG-O 3.18Å
93N84.5Confident91.1Very high76 Ų7673.3 Ų73.341%0.40636%0.362SS..Hα-helixtrans-65.8-30.5173.9-76.8-29.7000112.9P88 S89 E90 M91 M96P88-N93 WeakPolarHBondContact CB-OD1 3.34Å; S89-N93 PolarHBondContact O-N 2.7Å; E90-N93 PolarHBondContact O-N 3.27Å; M91-N93 VanDerWaalsContact C-N 3.32Å; M91-N93 PolarHBondContact O-N 2.69Å; N93-M96 VanDerWaalsContact O-CE 3.27Å; N93-M96 WeakPolarHBondContact O-CE 3.28Å
94R87.4Confident91.2Very high223 Ų22374.2 Ų74.284%0.84237%0.366SS*.Hα-helixtrans-79.2-43.3178.2-172.2177.2179.4174.30.1112.7E90 M91 S92E90-R94 PolarHBondContact O-N 3.04Å; M91-R94 PolarHBondContact O-N 3.42Å; M91-R94 VanDerWaalsContact O-N 3.1Å; S92-R94 VanDerWaalsContact C-N 3.29Å; S92-R94 PolarHBondContact O-N 2.78Å
95T90.7Very high91.5Very high60 Ų6075.3 Ų75.337%0.36837%0.372SS..Hα-helixtrans-87.1-18.4-177.966.60000113M91 T97M91-T95 HydrophobicContact CG-CG2 4.45Å; M91-T95 PolarHBondContact O-N 3.04Å; M91-T95 PolarHBondContact O-OG1 2.72Å; M91-T95 HydrophobicContact SD-CG2 4.08Å; T95-T97 WeakPolarHBondContact CB-OG1 3.4Å; T95-T97 PolarHBondContact O-N 2.93Å; T95-T97 WeakPolarHBondContact OG1-CB 3.47Å; T95-T97 PolarHBondContact OG1-N 2.89Å; T95-T97 PolarHBondContact OG1-OG1 3.22Å
96M94.9Very high91.8Very high75 Ų7573.4 Ų73.437%0.36936%0.362SS..  trans56.118.8-167.7-61.3-63.7-178.700113.5S92 N93 K184 L185S92-M96 WeakPolarHBondContact O-CA 3.42Å; S92-M96 PolarHBondContact O-N 2.92Å; N93-M96 VanDerWaalsContact O-CE 3.27Å; N93-M96 WeakPolarHBondContact O-CE 3.28Å; M96-K184 HydrophobicContact CB-CG 4.11Å; M96-K184 CarbonylContact O-C 3.58Å; M96-K184 WeakPolarHBondContact O-CA 3.44Å; M96-L185 HydrophobicContact CB-CB 4.39Å; M96-L185 WeakPolarHBondContact CB-O 3.26Å; M96-L185 PolarHBondContact O-N 3.02Å
97T96.7Very high92.1Very high21 Ų2170.2 Ų70.213%0.12935%0.352CS..BIsolated β-bridgetrans-76133175.1-51.60000109.8S92 T95 Y182S92-T97 PolarHBondContact OG-O 3.18Å; T95-T97 WeakPolarHBondContact CB-OG1 3.4Å; T95-T97 PolarHBondContact O-N 2.93Å; T95-T97 WeakPolarHBondContact OG1-CB 3.47Å; T95-T97 PolarHBondContact OG1-N 2.89Å; T95-T97 PolarHBondContact OG1-OG1 3.22Å; T97-Y182 HydrophobicContact CG2-CD2 4.17Å
98I96.9Very high92.3Very high1 Ų168 Ų681%0.00535%0.352CS..PPolyproline II helixtrans-84122.2178.5-54.6-177.7000109.4F100 S116 V132 V143 L183 L185 L190I98-F100 HydrophobicContact CB-CE2 4.44Å; I98-F100 HydrophobicContact CG2-CE2 4.03Å; I98-F100 HydrophobicContact CG2-CZ 4Å; I98-S116 WeakPolarHBondContact O-CB 3.35Å; I98-V132 HydrophobicContact CD1-CG1 4.24Å; I98-V132 HydrophobicContact CD1-CG2 3.94Å; I98-V143 HydrophobicContact CD1-CB 4.37Å; I98-V143 HydrophobicContact CD1-CG1 3.66Å; I98-V143 HydrophobicContact CD1-CG2 3.84Å; I98-L183 HydrophobicContact CB-CB 4.14Å; I98-L183 HydrophobicContact CD1-CB 4.21Å; I98-L183 HydrophobicContact CG1-CB 4.36Å; I98-L183 PolarHBondContact N-O 3.44Å; I98-L185 HydrophobicContact CD1-CB 4.46Å; I98-L185 HydrophobicContact CG1-CB 4.36Å; I98-L190 HydrophobicContact CD1-CD1 4.27Å; I98-L190 HydrophobicContact CG1-CD1 4.04Å; I98-L190 HydrophobicContact CG2-CD1 4.16Å
99Y96.6Very high92.8Very high77 Ų7771.9 Ų71.930%0.30238%0.38SS..PPolyproline II helixtrans-94.7147.6-174.3-173.7-96.9000113.1D101 P113 A114 S116 W194Y99-D101 HydrophobicContact CE1-CB 3.92Å; Y99-P113 WeakPolarHBondContact CE2-O 3.36Å; Y99-P113 PolarHBondContact OH-O 3Å; Y99-A114 WeakPolarHBondContact CE2-O 3.37Å; Y99-S116 WeakPolarHBondContact CA-OG 3.39Å; Y99-W194 PolarHBondContact O-NE1 3.27Å
100F97.4Very high93.2Very high0 Ų071.3 Ų71.30%037%0.37CS..  trans-131.1115.1179.1-63.5-88.7000108.9A80 R82 I98 S116 L183 F199A80-F100 HydrophobicContact CB-CB 3.69Å; A80-F100 HydrophobicContact CB-CG 4.13Å; R82-F100 HydrophobicContact CB-CD1 4.44Å; I98-F100 HydrophobicContact CB-CE2 4.44Å; I98-F100 HydrophobicContact CG2-CE2 4.03Å; I98-F100 HydrophobicContact CG2-CZ 4Å; F100-S116 PolarHBondContact N-OG 2.85Å; F100-L183 HydrophobicContact CE2-CD1 4.01Å; F100-L183 HydrophobicContact CZ-CD1 3.82Å; F100-F199 HydrophobicContact CD1-CB 4.43Å; F100-F199 HydrophobicContact CD2-CB 4.12Å; F100-F199 HydrophobicContact CD2-CD1 4.44Å; F100-F199 HydrophobicContact CE1-CB 3.9Å; F100-F199 HydrophobicContact CE2-CB 3.56Å; F100-F199 HydrophobicContact CE2-CD1 4.09Å; F100-F199 HydrophobicContact CE2-CG 4.21Å; F100-F199 HydrophobicContact CZ-CB 3.45Å; F100-F199 VanDerWaalsContact CZ-CB 3.45Å; F100-F199 HydrophobicContact CZ-CG 4.45Å
101D95.3Very high93.9Very high54 Ų5462.9 Ų62.929%0.28933%0.33SS..  trans-83.2-18.4-171.551.9-106.6000114.6I81 R82 N83 T84 Y99I81-D101 PolarHBondContact O-N 2.79Å; R82-D101 WeakPolarHBondContact CD-OD1 3.43Å; R82-D101 IonicContact CZ-OD1 2.85Å; R82-D101 IonicContact NE-OD1 3.63Å; R82-D101 IonicContact NH1-OD1 3.56Å; R82-D101 PolarHBondContact NH1-OD1 3.01Å; N83-D101 WeakPolarHBondContact CB-OD2 3.5Å; N83-D101 PolarHBondContact N-OD1 3.44Å; N83-D101 PolarHBondContact N-OD2 3.17Å; N83-D101 VanDerWaalsContact N-OD2 3.11Å; T84-D101 PolarHBondContact OG1-OD1 3.09Å; T84-D101 VanDerWaalsContact OG1-OD1 3.11Å; Y99-D101 HydrophobicContact CE1-CB 3.92Å
102Q97.7Very high94.8Very high70 Ų7060 Ų6033%0.32732%0.318SS..EExtended strand (participates in β ladder)trans-124.1123.3-175.9-178.5176.1-7.900111.2A80 I81 N83 L104A80-Q102 CarbonylContact C-O 3.59Å; A80-Q102 WeakPolarHBondContact CA-O 3.41Å; I81-Q102 HydrophobicContact CD1-CB 4.48Å; I81-Q102 HydrophobicContact CD1-CG 4.37Å; I81-Q102 HydrophobicContact CG1-CB 3.79Å; I81-Q102 HydrophobicContact CG1-CG 4.08Å; I81-Q102 PolarHBondContact N-O 2.82Å; I81-Q102 PolarHBondContact O-N 2.83Å; I81-Q102 VanDerWaalsContact O-N 3.1Å; N83-Q102 PolarHBondContact ND2-OE1 3.09Å; Q102-L104 HydrophobicContact CG-CD2 4.28Å
103I98.1Very high95.3Very high57 Ų5762.1 Ų62.129%0.29233%0.331SS..EExtended strand (participates in β ladder)trans-95.4123.1175.8-54.8-53.5000109.2A80 V105 N106 F111 P113A80-I103 HydrophobicContact CB-CD1 3.67Å; I103-V105 WeakPolarHBondContact CG2-O 3.32Å; I103-N106 HydrophobicContact CG2-CB 3.77Å; I103-F111 HydrophobicContact CD1-CD1 3.57Å; I103-F111 HydrophobicContact CD1-CE1 3.47Å; I103-F111 VanDerWaalsContact CD1-CE1 3.47Å; I103-P113 HydrophobicContact CD1-CB 4.01Å; I103-P113 HydrophobicContact CG1-CB 3.88Å
104L98.1Very high95.7Very high96 Ų9662 Ų6250%0.50334%0.341SS..EExtended strand (participates in β ladder)trans-92.7-39.6174.8-57.1-177.1000111.3S79 I81 Q102S79-L104 PolarHBondContact O-N 3.02Å; I81-L104 HydrophobicContact CD1-CD1 4.33Å; I81-L104 HydrophobicContact CD1-CD2 4.08Å; I81-L104 HydrophobicContact CD1-CG 4.42Å; I81-L104 HydrophobicContact CG1-CD2 4.41Å; I81-L104 HydrophobicContact CG1-CG 4.4Å; I81-L104 HydrophobicContact CG2-CD1 3.63Å; I81-L104 HydrophobicContact CG2-CG 4.17Å; Q102-L104 HydrophobicContact CG-CD2 4.28Å
105V97.9Very high96.1Very high61 Ų6154.1 Ų54.137%0.3732%0.317SS..EExtended strand (participates in β ladder)trans-139.2137.8-178.8-178.30000108.7A77 F78 S79 I103 V107A77-V105 HydrophobicContact CB-CG1 4.25Å; F78-V105 CarbonylContact C-O 3.57Å; F78-V105 WeakPolarHBondContact CA-O 3.22Å; S79-V105 PolarHBondContact N-O 2.82Å; S79-V105 PolarHBondContact O-N 2.9Å; S79-V105 VanDerWaalsContact O-N 3.13Å; I103-V105 WeakPolarHBondContact CG2-O 3.32Å; V105-V107 HydrophobicContact CG1-CG2 3.85Å
106N97.3Very high96.4Very high44 Ų4451.3 Ų51.324%0.23530%0.3CS..EExtended strand (participates in β ladder)trans-152.559.5171.8-160.82.2000111.3A77 I103 G108 S109 H110 F111A77-N106 CarbonylContact O-C 3.45Å; A77-N106 WeakPolarHBondContact O-CA 3.47Å; I103-N106 HydrophobicContact CG2-CB 3.77Å; N106-G108 PolarHBondContact O-N 2.85Å; N106-S109 PolarHBondContact O-N 3.01Å; N106-S109 WeakPolarHBondContact OD1-CA 3.12Å; N106-H110 PolarHBondContact OD1-N 3.3Å; N106-F111 PolarHBondContact ND2-O 3.45Å; N106-F111 PolarHBondContact OD1-N 3.49Å
107V95.9Very high96.6Very high64 Ų6449.3 Ų49.339%0.38829%0.29SS..EExtended strand (participates in β ladder)trans-65.7120.5177.7-1760000108.9R75 A77 V105R75-V107 HydrophobicContact CB-CG1 4.03Å; R75-V107 WeakPolarHBondContact O-CG1 3.18Å; A77-V107 HydrophobicContact CB-CB 4.38Å; A77-V107 HydrophobicContact CB-CG2 4.42Å; A77-V107 PolarHBondContact N-O 3.11Å; A77-V107 PolarHBondContact O-N 3.11Å; V105-V107 HydrophobicContact CG1-CG2 3.85Å
108G92.9Very high96.7Very high41 Ų4148.3 Ų48.342%0.42328%0.284SS..THydrogen-bonded Turntrans89-7.4-174.600000114.6N106 H110N106-G108 PolarHBondContact O-N 2.85Å; G108-H110 VanDerWaalsContact C-N 3.29Å; G108-H110 PolarHBondContact O-CD2 3.1Å; G108-H110 PolarHBondContact O-CE1 2.83Å; G108-H110 PolarHBondContact O-N 3.41Å; G108-H110 PolarHBondContact O-ND1 2.8Å; G108-H110 PolarHBondContact O-NE2 3.13Å; G108-H110 VanDerWaalsContact O-NE2 3.17Å
109S96.3Very high96.7Very high97 Ų9750.8 Ų50.868%0.67830%0.299SS*.SBendtrans55.641.5-179.7-55.90000113.5N106N106-S109 PolarHBondContact O-N 3.01Å; N106-S109 WeakPolarHBondContact OD1-CA 3.12Å
110H97.2Very high96.8Very high59 Ų5947.2 Ų47.227%0.27329%0.285SS..  trans-100.5-3.3-176.7-64.1-47.3000113.8N106 G108 F118 V119 P121N106-H110 PolarHBondContact OD1-N 3.3Å; G108-H110 VanDerWaalsContact C-N 3.29Å; G108-H110 PolarHBondContact O-CD2 3.1Å; G108-H110 PolarHBondContact O-CE1 2.83Å; G108-H110 PolarHBondContact O-N 3.41Å; G108-H110 PolarHBondContact O-ND1 2.8Å; G108-H110 PolarHBondContact O-NE2 3.13Å; G108-H110 VanDerWaalsContact O-NE2 3.17Å; H110-F118 HydrophobicContact CB-CD2 4.23Å; H110-F118 HydrophobicContact CB-CE2 3.76Å; H110-F118 HydrophobicContact CB-CZ 4.46Å; H110-F118 CarbonylContact O-C 3.52Å; H110-F118 WeakPolarHBondContact O-CA 2.9Å; H110-V119 WeakPolarHBondContact CB-O 3.35Å; H110-V119 PolarHBondContact O-N 3.07Å; H110-P121 VanDerWaalsContact CD2-CG 3.48Å; H110-P121 WeakPolarHBondContact CD2-CG 3.28Å; H110-P121 VanDerWaalsContact CE1-CB 3.47Å; H110-P121 WeakPolarHBondContact CE1-CB 3.45Å; H110-P121 WeakPolarHBondContact NE2-CB 3.48Å
111F98.4Very high96.8Very high3 Ų348.8 Ų48.81%0.01330%0.296CS..EExtended strand (participates in β ladder)trans-101122.2167.4-174-94.6000109.8F78 A80 I103 N106 P113 F118 F199F78-F111 HydrophobicContact CB-CB 3.7Å; F78-F111 HydrophobicContact CB-CG 4.24Å; F78-F111 HydrophobicContact CD1-CD2 4.49Å; F78-F111 HydrophobicContact CD2-CB 4.07Å; F78-F111 HydrophobicContact CD2-CD1 4.48Å; F78-F111 AromaticContact CD2-CD2 3.34Å; F78-F111 HydrophobicContact CD2-CD2 3.34Å; F78-F111 AromaticContact CD2-CE2 3.81Å; F78-F111 HydrophobicContact CD2-CE2 3.81Å; F78-F111 AromaticContact CD2-CG 3.72Å; F78-F111 HydrophobicContact CD2-CG 3.72Å; F78-F111 AromaticContact CE2-CD2 3.51Å; F78-F111 HydrophobicContact CE2-CD2 3.51Å; F78-F111 AromaticContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CE2 3.64Å; F78-F111 HydrophobicContact CE2-CG 4.34Å; F78-F111 HydrophobicContact CG-CB 3.85Å; F78-F111 AromaticContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CD2 3.88Å; F78-F111 HydrophobicContact CG-CG 4.04Å; F78-F111 HydrophobicContact CZ-CD2 4.17Å; F78-F111 HydrophobicContact CZ-CE2 4.44Å; A80-F111 HydrophobicContact CB-CE1 3.87Å; A80-F111 HydrophobicContact CB-CZ 4Å; I103-F111 HydrophobicContact CD1-CD1 3.57Å; I103-F111 HydrophobicContact CD1-CE1 3.47Å; I103-F111 VanDerWaalsContact CD1-CE1 3.47Å; N106-F111 PolarHBondContact ND2-O 3.45Å; N106-F111 PolarHBondContact OD1-N 3.49Å; F111-P113 WeakPolarHBondContact O-CD 3.27Å; F111-F118 HydrophobicContact CD2-CB 4.09Å; F111-F199 AromaticContact CE2-CD1 3.86Å; F111-F199 HydrophobicContact CE2-CD1 3.86Å; F111-F199 AromaticContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CZ-CD1 4.38Å
112D97.4Very high96.8Very high70 Ų7050 Ų5037%0.37430%0.296SS..EExtended strand (participates in β ladder)trans-87.4111.7175.4-177-8.1000110A114 T115 S116 I117D112-A114 PolarHBondContact O-N 2.85Å; D112-A114 WeakPolarHBondContact OD1-CB 3.13Å; D112-A114 PolarHBondContact OD1-N 2.9Å; D112-T115 PolarHBondContact O-N 3.01Å; D112-T115 PolarHBondContact OD2-OG1 3.3Å; D112-S116 VanDerWaalsContact O-CA 3.28Å; D112-S116 WeakPolarHBondContact O-CA 3.38Å; D112-S116 PolarHBondContact O-N 2.85Å; D112-I117 PolarHBondContact N-O 3.03Å; D112-I117 PolarHBondContact O-N 3.48Å
113P93.5Very high96.8Very high56 Ų5650.4 Ų50.436%0.36430%0.297SS..THydrogen-bonded Turntrans-70.9-15.5179.631.4-36.7000113.4Y99 I103 F111Y99-P113 WeakPolarHBondContact CE2-O 3.36Å; Y99-P113 PolarHBondContact OH-O 3Å; I103-P113 HydrophobicContact CD1-CB 4.01Å; I103-P113 HydrophobicContact CG1-CB 3.88Å; F111-P113 WeakPolarHBondContact O-CD 3.27Å
114A93.2Very high96.8Very high74 Ų7447.7 Ų47.761%0.61228%0.283SS*.THydrogen-bonded Turntrans-79.4-31.7177.700000111.6Y99 D112Y99-A114 WeakPolarHBondContact CE2-O 3.37Å; D112-A114 PolarHBondContact O-N 2.85Å; D112-A114 WeakPolarHBondContact OD1-CB 3.13Å; D112-A114 PolarHBondContact OD1-N 2.9Å
115T95.2Very high96.7Very high57 Ų5744.3 Ų44.335%0.3527%0.267SS..THydrogen-bonded Turntrans-109.4-11.6-178.665.90000113.7D112 I117D112-T115 PolarHBondContact O-N 3.01Å; D112-T115 PolarHBondContact OD2-OG1 3.3Å; T115-I117 VanDerWaalsContact C-N 3.27Å; T115-I117 PolarHBondContact O-N 2.8Å; T115-I117 WeakPolarHBondContact OG1-CB 3.31Å; T115-I117 WeakPolarHBondContact OG1-CG1 3.33Å; T115-I117 PolarHBondContact OG1-N 3.04Å
116S97.6Very high96.7Very high1 Ų141.4 Ų41.41%0.00725%0.249CC..THydrogen-bonded Turntrans55.339.2-168.1-70.30000113.6I98 Y99 F100 D112I98-S116 WeakPolarHBondContact O-CB 3.35Å; Y99-S116 WeakPolarHBondContact CA-OG 3.39Å; F100-S116 PolarHBondContact N-OG 2.85Å; D112-S116 VanDerWaalsContact O-CA 3.28Å; D112-S116 WeakPolarHBondContact O-CA 3.38Å; D112-S116 PolarHBondContact O-N 2.85Å
117I98.4Very high96.7Very high32 Ų3240.4 Ų40.416%0.16425%0.245CC..EExtended strand (participates in β ladder)trans-114.3128.5-178.5-60.8173.3000109.2D112 T115 V119 K180 Y182D112-I117 PolarHBondContact N-O 3.03Å; D112-I117 PolarHBondContact O-N 3.48Å; T115-I117 VanDerWaalsContact C-N 3.27Å; T115-I117 PolarHBondContact O-N 2.8Å; T115-I117 WeakPolarHBondContact OG1-CB 3.31Å; T115-I117 WeakPolarHBondContact OG1-CG1 3.33Å; T115-I117 PolarHBondContact OG1-N 3.04Å; I117-V119 HydrophobicContact CG2-CG2 4.27Å; I117-K180 HydrophobicContact CG2-CB 3.84Å; I117-K180 HydrophobicContact CG2-CD 4.34Å; I117-K180 HydrophobicContact CG2-CG 4.15Å; I117-Y182 HydrophobicContact CG1-CD1 4.27Å; I117-Y182 HydrophobicContact CG1-CG 4.24Å; I117-Y182 HydrophobicContact CG2-CD1 4.48Å
118F98.8Very high96.8Very high1 Ų137.4 Ų37.40%0.00423%0.227CC..EExtended strand (participates in β ladder)trans-87.2134.4165.7177.5-99.3000110.2V76 F78 H110 F111 A120 Y126 F128 M175 K180 A181V76-F118 HydrophobicContact CG1-CE2 3.74Å; V76-F118 HydrophobicContact CG1-CZ 3.69Å; F78-F118 HydrophobicContact CD1-CB 4.42Å; F78-F118 AromaticContact CD1-CD2 3.39Å; F78-F118 HydrophobicContact CD1-CD2 3.39Å; F78-F118 AromaticContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CE2 3.86Å; F78-F118 HydrophobicContact CD1-CG 4.06Å; F78-F118 HydrophobicContact CE1-CB 3.93Å; F78-F118 AromaticContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CD2 3.59Å; F78-F118 HydrophobicContact CE1-CE2 4.23Å; F78-F118 AromaticContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CE1-CG 3.76Å; F78-F118 HydrophobicContact CG-CD2 4.26Å; F78-F118 HydrophobicContact CZ-CB 4.19Å; F78-F118 HydrophobicContact CZ-CG 4.5Å; H110-F118 HydrophobicContact CB-CD2 4.23Å; H110-F118 HydrophobicContact CB-CE2 3.76Å; H110-F118 HydrophobicContact CB-CZ 4.46Å; H110-F118 CarbonylContact O-C 3.52Å; H110-F118 WeakPolarHBondContact O-CA 2.9Å; F111-F118 HydrophobicContact CD2-CB 4.09Å; F118-A120 HydrophobicContact CE1-CB 4.25Å; F118-Y126 AromaticContact CE1-CD1 3.83Å; F118-Y126 HydrophobicContact CE1-CD1 3.83Å; F118-Y126 AromaticContact CE1-CE1 3.83Å; F118-Y126 HydrophobicContact CE1-CE1 3.83Å; F118-Y126 AromaticContact CZ-CD1 3.87Å; F118-Y126 HydrophobicContact CZ-CD1 3.87Å; F118-Y126 AromaticContact CZ-CE1 3.64Å; F118-Y126 HydrophobicContact CZ-CE1 3.64Å; F118-F128 HydrophobicContact CB-CE1 4.32Å; F118-F128 AromaticContact CD1-CE1 3.88Å; F118-F128 HydrophobicContact CD1-CE1 3.88Å; F118-F128 AromaticContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CE1-CE1 4.47Å; F118-F128 HydrophobicContact CE1-CZ 4Å; F118-F128 HydrophobicContact CG-CE1 4.16Å; F118-F128 HydrophobicContact CG-CZ 4.39Å; F118-M175 HydrophobicContact CD1-CE 4.24Å; F118-M175 HydrophobicContact CD1-SD 4.43Å; F118-M175 HydrophobicContact CE1-CE 4.39Å; F118-M175 HydrophobicContact CE1-SD 4.25Å; F118-K180 CarbonylContact O-C 3.58Å; F118-K180 WeakPolarHBondContact O-CA 3.33Å; F118-A181 HydrophobicContact CB-CB 4.41Å; F118-A181 HydrophobicContact CD1-CB 4.36Å; F118-A181 PolarHBondContact N-O 3.07Å; F118-A181 PolarHBondContact O-N 2.91Å
119V98.6Very high97.1Very high53 Ų5336.9 Ų36.932%0.32122%0.217SC..EExtended strand (participates in β ladder)trans-117.1118.5175.6-174.30000109.5H110 I117 P121 D179 K180H110-V119 WeakPolarHBondContact CB-O 3.35Å; H110-V119 PolarHBondContact O-N 3.07Å; I117-V119 HydrophobicContact CG2-CG2 4.27Å; V119-P121 VanDerWaalsContact O-CD 3.29Å; V119-P121 WeakPolarHBondContact O-CD 3.35Å; V119-D179 CarbonylContact C-O 3.51Å; V119-D179 WeakPolarHBondContact CA-O 3.34Å; V119-K180 HydrophobicContact CG2-CG 4.33Å
120A98.2Very high97.2Very high1 Ų132.3 Ų32.31%0.00819%0.185CC..  trans-63.4120.5-179.800000110.9F118 R122 Y126 M175 E176 R177 G178 D179F118-A120 HydrophobicContact CE1-CB 4.25Å; A120-R122 VanDerWaalsContact C-N 3.29Å; A120-R122 PolarHBondContact O-N 2.84Å; A120-Y126 HydrophobicContact CB-CE2 4.05Å; A120-M175 HydrophobicContact CB-CB 3.81Å; A120-M175 HydrophobicContact CB-CE 3.79Å; A120-M175 HydrophobicContact CB-SD 4.25Å; A120-E176 VanDerWaalsContact CB-O 3.28Å; A120-E176 WeakPolarHBondContact CB-O 3.39Å; A120-R177 WeakPolarHBondContact O-CA 3.33Å; A120-G178 PolarHBondContact O-N 3.25Å; A120-D179 HydrophobicContact CB-CB 4.45Å; A120-D179 PolarHBondContact N-O 2.82Å
121P97.1Very high97.2Very high34 Ų3432.9 Ų32.922%0.22119%0.187CC..SBendtrans-75.1-19.8179.828.8-36.7000113.7V76 H110 V119 Y126 R177V76-P121 HydrophobicContact CG1-CG 4.29Å; V76-P121 HydrophobicContact CG2-CG 3.68Å; H110-P121 VanDerWaalsContact CD2-CG 3.48Å; H110-P121 WeakPolarHBondContact CD2-CG 3.28Å; H110-P121 VanDerWaalsContact CE1-CB 3.47Å; H110-P121 WeakPolarHBondContact CE1-CB 3.45Å; H110-P121 WeakPolarHBondContact NE2-CB 3.48Å; V119-P121 VanDerWaalsContact O-CD 3.29Å; V119-P121 WeakPolarHBondContact O-CD 3.35Å; P121-Y126 WeakPolarHBondContact CD-OH 3.43Å; P121-R177 WeakPolarHBondContact O-CD 3.34Å; P121-R177 WeakPolarHBondContact O-CG 3.38Å
122R96.2Very high97.1Very high78 Ų7832.7 Ų32.729%0.29419%0.187SC..SBendtrans-158.1163.9-176.564.3-176.3-61.2165.91.6111.3A120 Y126 L203A120-R122 VanDerWaalsContact C-N 3.29Å; A120-R122 PolarHBondContact O-N 2.84Å; R122-Y126 PolarHBondContact O-OH 2.93Å; R122-L203 HydrophobicContact CG-CD2 4.42Å
123K97.4Very high97Very high80 Ų8030.6 Ų30.635%0.34818%0.176SC..SBendtrans-61.9135.2172.2-168.8-177.1179.1129.40111.3M175 E176 P206 L207K123-M175 VanDerWaalsContact CA-O 3.26Å; K123-M175 WeakPolarHBondContact CA-O 3.34Å; K123-E176 WeakPolarHBondContact CD-OE1 3.18Å; K123-E176 WeakPolarHBondContact CD-OE2 3.45Å; K123-E176 VanDerWaalsContact CE-OE1 3.22Å; K123-E176 WeakPolarHBondContact CE-OE1 3.16Å; K123-E176 VanDerWaalsContact CG-OE2 3.32Å; K123-E176 WeakPolarHBondContact CG-OE2 3.28Å; K123-E176 IonicContact NZ-OE1 3.53Å; K123-E176 PolarHBondContact NZ-OE1 2.76Å; K123-E176 IonicContact NZ-OE2 2.82Å; K123-P206 WeakPolarHBondContact O-CA 3.48Å; K123-L207 HydrophobicContact CD-CB 4.13Å; K123-L207 HydrophobicContact CG-CB 4.08Å; K123-L207 PolarHBondContact O-N 2.94Å; K123-L207 VanDerWaalsContact O-N 3.1Å
124G96.6Very high96.7Very high0 Ų028.1 Ų28.10%016%0.16CC..EExtended strand (participates in β ladder)trans169.7178.8176.800000113.9Y126 M175 F205G124-Y126 WeakPolarHBondContact O-CD2 3.45Å; G124-M175 PolarHBondContact N-O 2.99Å; G124-M175 PolarHBondContact O-N 2.95Å; G124-F205 WeakPolarHBondContact CA-O 3.32Å
125V96.8Very high95.9Very high25 Ų2525.2 Ų25.215%0.15213%0.134CC..EExtended strand (participates in β ladder)trans-93.8123.2174.1178.30000109.2L172 V173 V204 F205 L207V125-L172 HydrophobicContact CG1-CB 4.23Å; V125-L172 HydrophobicContact CG1-CD2 4.47Å; V125-V173 WeakPolarHBondContact CA-O 3.5Å; V125-V204 HydrophobicContact CG1-CG2 4.45Å; V125-V204 WeakPolarHBondContact O-CB 3.15Å; V125-V204 PolarHBondContact O-N 2.81Å; V125-F205 HydrophobicContact CB-CD2 4.38Å; V125-F205 HydrophobicContact CB-CE1 4.32Å; V125-F205 HydrophobicContact CB-CE2 3.87Å; V125-F205 HydrophobicContact CB-CZ 3.82Å; V125-F205 HydrophobicContact CG1-CZ 4.39Å; V125-F205 HydrophobicContact CG2-CD2 4.29Å; V125-F205 HydrophobicContact CG2-CE2 3.44Å; V125-F205 VanDerWaalsContact CG2-CE2 3.44Å; V125-F205 HydrophobicContact CG2-CZ 3.57Å; V125-F205 PolarHBondContact N-O 2.92Å; V125-L207 HydrophobicContact CG2-CD1 4.37Å
126Y97.6Very high94.6Very high0 Ų031.1 Ų31.10%015%0.151CC..EExtended strand (participates in β ladder)trans-112.5141.2-179-67.2-97.3000110.5V76 F118 A120 P121 R122 G124 L172 V173 M175 F202 L203V76-Y126 HydrophobicContact CG1-CE1 4.26Å; F118-Y126 AromaticContact CE1-CD1 3.83Å; F118-Y126 HydrophobicContact CE1-CD1 3.83Å; F118-Y126 AromaticContact CE1-CE1 3.83Å; F118-Y126 HydrophobicContact CE1-CE1 3.83Å; F118-Y126 AromaticContact CZ-CD1 3.87Å; F118-Y126 HydrophobicContact CZ-CD1 3.87Å; F118-Y126 AromaticContact CZ-CE1 3.64Å; F118-Y126 HydrophobicContact CZ-CE1 3.64Å; A120-Y126 HydrophobicContact CB-CE2 4.05Å; P121-Y126 WeakPolarHBondContact CD-OH 3.43Å; R122-Y126 PolarHBondContact O-OH 2.93Å; G124-Y126 WeakPolarHBondContact O-CD2 3.45Å; Y126-L172 CarbonylContact O-C 3.54Å; Y126-L172 VanDerWaalsContact O-CA 3.3Å; Y126-L172 WeakPolarHBondContact O-CA 3.45Å; Y126-V173 PolarHBondContact N-O 3Å; Y126-V173 PolarHBondContact O-N 3.19Å; Y126-M175 HydrophobicContact CD2-CB 3.67Å; Y126-M175 HydrophobicContact CD2-CG 3.8Å; Y126-M175 HydrophobicContact CD2-SD 3.87Å; Y126-M175 HydrophobicContact CE2-CB 3.78Å; Y126-M175 HydrophobicContact CE2-CG 4.38Å; Y126-M175 HydrophobicContact CE2-SD 4.49Å; Y126-M175 HydrophobicContact CG-CG 4.41Å; Y126-M175 HydrophobicContact CG-SD 3.95Å; Y126-F202 WeakPolarHBondContact CA-O 3.46Å; Y126-L203 HydrophobicContact CD1-CB 4.07Å; Y126-L203 HydrophobicContact CD1-CD1 4.28Å; Y126-L203 HydrophobicContact CD2-CD1 4.29Å; Y126-L203 HydrophobicContact CE1-CB 3.76Å; Y126-L203 HydrophobicContact CE1-CD1 3.87Å; Y126-L203 HydrophobicContact CE1-CG 4.36Å; Y126-L203 HydrophobicContact CE2-CD1 3.89Å; Y126-L203 HydrophobicContact CG-CD1 4.48Å
127S97.5Very high93.1Very high22 Ų2231.2 Ų31.215%0.15415%0.152CC..EExtended strand (participates in β ladder)trans-100.3133.9171.3-174.60000109.6G201 F202S127-G201 CarbonylContact O-C 3.58Å; S127-G201 WeakPolarHBondContact O-CA 3.32Å; S127-F202 PolarHBondContact N-O 2.77Å; S127-F202 PolarHBondContact O-N 2.96Å
128F98.4Very high91.8Very high1 Ų140.2 Ų40.20%0.00418%0.184CC..EExtended strand (participates in β ladder)trans-127.3139.4172.6-65.9-83.3000110.3F78 F118 L145 A170 G171 V173 M175 A181 F199 S200F78-F128 AromaticContact CE1-CD1 3.99Å; F78-F128 HydrophobicContact CE1-CD1 3.99Å; F78-F128 AromaticContact CE1-CE1 3.62Å; F78-F128 HydrophobicContact CE1-CE1 3.62Å; F78-F128 AromaticContact CZ-CD1 3.89Å; F78-F128 HydrophobicContact CZ-CD1 3.89Å; F78-F128 AromaticContact CZ-CE1 3.84Å; F78-F128 HydrophobicContact CZ-CE1 3.84Å; F118-F128 HydrophobicContact CB-CE1 4.32Å; F118-F128 AromaticContact CD1-CE1 3.88Å; F118-F128 HydrophobicContact CD1-CE1 3.88Å; F118-F128 AromaticContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CD1-CZ 3.65Å; F118-F128 HydrophobicContact CE1-CE1 4.47Å; F118-F128 HydrophobicContact CE1-CZ 4Å; F118-F128 HydrophobicContact CG-CE1 4.16Å; F118-F128 HydrophobicContact CG-CZ 4.39Å; F128-L145 HydrophobicContact CB-CD1 4.32Å; F128-L145 HydrophobicContact CB-CD2 3.73Å; F128-L145 HydrophobicContact CD1-CD1 4.47Å; F128-L145 HydrophobicContact CD2-CD2 4.05Å; F128-L145 HydrophobicContact CG-CD1 4.26Å; F128-L145 HydrophobicContact CG-CD2 4.04Å; F128-A170 CarbonylContact O-C 3.58Å; F128-A170 WeakPolarHBondContact O-CA 3.34Å; F128-A170 WeakPolarHBondContact O-CB 3.34Å; F128-G171 PolarHBondContact N-O 2.92Å; F128-G171 PolarHBondContact O-N 2.96Å; F128-V173 HydrophobicContact CD2-CG2 3.69Å; F128-V173 HydrophobicContact CE2-CG2 3.48Å; F128-V173 VanDerWaalsContact CE2-CG2 3.48Å; F128-M175 HydrophobicContact CE2-SD 3.58Å; F128-M175 VanDerWaalsContact CE2-SD 3.58Å; F128-M175 HydrophobicContact CZ-SD 3.62Å; F128-A181 HydrophobicContact CE1-CB 3.8Å; F128-A181 HydrophobicContact CE2-CB 4.14Å; F128-A181 HydrophobicContact CZ-CB 3.54Å; F128-F199 HydrophobicContact CB-CE2 4.39Å; F128-F199 AromaticContact CD1-CE2 3.78Å; F128-F199 HydrophobicContact CD1-CE2 3.78Å; F128-F199 AromaticContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CE1-CZ 4.32Å; F128-F199 HydrophobicContact CG-CE2 4.49Å; F128-S200 WeakPolarHBondContact CA-O 3.35Å
129S98Very high91Very high31 Ų3145.2 Ų45.222%0.21721%0.207CC..EExtended strand (participates in β ladder)trans-134.5140.5171.5-171.70000109.5S200S129-S200 PolarHBondContact N-O 2.85Å; S129-S200 PolarHBondContact O-N 2.68Å
130F98.5Very high90.5Very high0 Ų045.6 Ų45.60%021%0.209CC..EExtended strand (participates in β ladder)trans-142.2148.3174.667.2-91.7000112.1V132 V143 L145 I153 A155 T168 N169 L183 T198 F199F130-V132 HydrophobicContact CD2-CG2 4.27Å; F130-V143 HydrophobicContact CD2-CG1 4.03Å; F130-V143 HydrophobicContact CE2-CB 4.06Å; F130-V143 HydrophobicContact CE2-CG1 3.66Å; F130-V143 HydrophobicContact CZ-CG1 4.29Å; F130-L145 HydrophobicContact CE1-CB 4.15Å; F130-I153 HydrophobicContact CE1-CD1 4.13Å; F130-I153 HydrophobicContact CE1-CG1 4.25Å; F130-A155 HydrophobicContact CE2-CB 3.94Å; F130-A155 HydrophobicContact CZ-CB 4.09Å; F130-T168 WeakPolarHBondContact O-CA 3.36Å; F130-N169 WeakPolarHBondContact CD1-O 3.37Å; F130-N169 HydrophobicContact CE1-CB 3.7Å; F130-N169 HydrophobicContact CE2-CB 4.3Å; F130-N169 HydrophobicContact CZ-CB 3.54Å; F130-N169 PolarHBondContact N-O 2.92Å; F130-N169 PolarHBondContact O-N 2.91Å; F130-L183 HydrophobicContact CB-CD1 3.49Å; F130-L183 VanDerWaalsContact CB-CD1 3.49Å; F130-L183 HydrophobicContact CB-CD2 4.02Å; F130-L183 HydrophobicContact CB-CG 4.38Å; F130-L183 HydrophobicContact CD1-CD2 3.68Å; F130-L183 HydrophobicContact CD2-CD1 4.23Å; F130-L183 HydrophobicContact CD2-CD2 4.42Å; F130-L183 HydrophobicContact CE1-CD2 4.21Å; F130-L183 HydrophobicContact CG-CD1 3.9Å; F130-L183 HydrophobicContact CG-CD2 3.79Å; F130-T198 WeakPolarHBondContact CA-O 3.16Å; F130-F199 HydrophobicContact CB-CD2 4.05Å
131H97.6Very high90.3Very high71 Ų7145.5 Ų45.533%0.32921%0.209SC..EExtended strand (participates in β ladder)trans-134.1109.4170.9-57.8-98000107.1T168 S197 T198H131-T168 WeakPolarHBondContact CE1-CG2 3.09Å; H131-T168 WeakPolarHBondContact ND1-CG2 3.38Å; H131-T168 PolarHBondContact ND1-OG1 3.09Å; H131-S197 CarbonylContact O-C 3.48Å; H131-S197 WeakPolarHBondContact O-CA 3.46Å; H131-S197 WeakPolarHBondContact O-CB 3.47Å; H131-T198 PolarHBondContact CD2-OG1 2.77Å; H131-T198 PolarHBondContact N-O 2.89Å; H131-T198 PolarHBondContact O-N 3.09Å
132V96.9Very high90.3Very high0 Ų046.1 Ų46.10%021%0.209CC..EExtended strand (participates in β ladder)trans-102.1105.5176.2178.10000108.8I98 F130 I141 V143 A166 A167 L183 L190 S197I98-V132 HydrophobicContact CD1-CG1 4.24Å; I98-V132 HydrophobicContact CD1-CG2 3.94Å; F130-V132 HydrophobicContact CD2-CG2 4.27Å; V132-I141 HydrophobicContact CG1-CD1 4.38Å; V132-V143 HydrophobicContact CB-CG2 4.01Å; V132-V143 HydrophobicContact CG1-CG2 4.11Å; V132-V143 HydrophobicContact CG2-CG1 3.89Å; V132-V143 HydrophobicContact CG2-CG2 4.15Å; V132-A166 CarbonylContact O-C 3.56Å; V132-A166 VanDerWaalsContact O-CA 3.29Å; V132-A166 WeakPolarHBondContact O-CA 3.3Å; V132-A167 HydrophobicContact CB-CB 4.49Å; V132-A167 PolarHBondContact N-O 2.85Å; V132-A167 PolarHBondContact O-N 2.83Å; V132-L183 HydrophobicContact CG2-CD1 4.14Å; V132-L190 HydrophobicContact CG1-CD2 4.08Å; V132-S197 WeakPolarHBondContact CA-OG 3.22Å
133V94Very high90.4Very high25 Ų2542.4 Ų42.415%0.15220%0.195CC..EExtended strand (participates in β ladder)trans-89.1127.4-178.2-177.90000108.9E165 A166 W194 S197V133-E165 WeakPolarHBondContact CA-O 3.19Å; V133-A166 HydrophobicContact CG2-CB 4.17Å; V133-W194 CarbonylContact O-C 3.52Å; V133-W194 WeakPolarHBondContact O-CA 3.3Å; V133-W194 WeakPolarHBondContact O-CB 3.25Å; V133-S197 PolarHBondContact N-OG 2.89Å; V133-S197 PolarHBondContact O-OG 3.05Å
134K87.5Confident90.4Very high5 Ų538.6 Ų38.62%0.02218%0.178CC..EExtended strand (participates in β ladder)trans-119.5127.6172.2-173.5171.7171.1-167.70109.9N137 I141 R164 E165 N189 L190K134-N137 HydrophobicContact CD-CB 4.41Å; K134-N137 WeakPolarHBondContact CD-OD1 2.92Å; K134-N137 WeakPolarHBondContact CE-OD1 3.41Å; K134-N137 HydrophobicContact CG-CB 4.41Å; K134-N137 PolarHBondContact NZ-OD1 2.87Å; K134-N137 VanDerWaalsContact NZ-OD1 3.09Å; K134-I141 HydrophobicContact CB-CD1 4.27Å; K134-I141 HydrophobicContact CD-CD1 4.36Å; K134-I141 HydrophobicContact CD-CG2 3.89Å; K134-R164 WeakPolarHBondContact O-CA 3.38Å; K134-E165 PolarHBondContact N-O 3.46Å; K134-E165 PolarHBondContact O-N 3.41Å; K134-N189 VanDerWaalsContact CE-O 3.29Å; K134-N189 WeakPolarHBondContact CE-O 3.38Å; K134-N189 PolarHBondContact NZ-O 3.2Å; K134-L190 HydrophobicContact CD-CD2 4.47Å
135V77.8Confident90.5Very high12 Ų1238.7 Ų38.77%0.07318%0.179CC..EExtended strand (participates in β ladder)trans-95.4139.8173.9-168.20000107.8R164V135-R164 HydrophobicContact CB-CG 4.39Å; V135-R164 HydrophobicContact CG1-CG 3.99Å; V135-R164 HydrophobicContact CG2-CG 4.17Å
136Y68.3Low90.6Very high181 Ų18137.6 Ų37.671%0.7117%0.172SC*.SBendtrans6354.6-176.5-53.9-73000113.5R138 T163Y136-R138 PolarHBondContact O-N 2.89Å; Y136-R138 VanDerWaalsContact O-N 3.12Å; Y136-T163 PolarHBondContact N-O 2.89Å
137N65.6Low90.7Very high3 Ų339.1 Ų39.12%0.01618%0.18CC..  trans-80.394-176.9-159.118.7000112.5K134 Q139 A157 G158 E165K134-N137 HydrophobicContact CD-CB 4.41Å; K134-N137 WeakPolarHBondContact CD-OD1 2.92Å; K134-N137 WeakPolarHBondContact CE-OD1 3.41Å; K134-N137 HydrophobicContact CG-CB 4.41Å; K134-N137 PolarHBondContact NZ-OD1 2.87Å; K134-N137 VanDerWaalsContact NZ-OD1 3.09Å; N137-Q139 PolarHBondContact OD1-O 2.83Å; N137-A157 VanDerWaalsContact ND2-C 3.31Å; N137-A157 PolarHBondContact ND2-O 3.41Å; N137-G158 WeakPolarHBondContact ND2-CA 3.48Å; N137-G158 PolarHBondContact ND2-N 2.9Å; N137-E165 PolarHBondContact ND2-OE2 2.9Å
138R70.8Confident90.6Very high222 Ų22241.7 Ų41.784%0.83819%0.192SC*.  trans-91.6-1.4169.7-68.1-171.4176.7-178-0.9114Y136Y136-R138 PolarHBondContact O-N 2.89Å; Y136-R138 VanDerWaalsContact O-N 3.12Å
139Q81.2Confident90.5Very high106 Ų10643.6 Ų43.650%0.49521%0.212SC..SBendtrans-145.1127-174.1-76.6-175.8-16.700111.5N137 I141 N189N137-Q139 PolarHBondContact OD1-O 2.83Å; Q139-I141 PolarHBondContact O-N 2.74Å; Q139-N189 PolarHBondContact OE1-ND2 2.79Å
140T89.2Confident90.5Very high60 Ų6051.7 Ų51.737%0.36824%0.238SC..  trans-53.9125.1175.8-44.60000112.2A157T140-A157 CarbonylContact C-O 3.58Å; T140-A157 VanDerWaalsContact CA-O 3.31Å; T140-A157 WeakPolarHBondContact CA-O 3.34Å
141I93.8Very high90.5Very high0 Ų055 Ų550%026%0.26CS..EExtended strand (participates in β ladder)trans-100.1147.2170.461.7167.4000110.4V132 K134 Q139 V143 F156 A157 A167 L185 R187 N189 L190V132-I141 HydrophobicContact CG1-CD1 4.38Å; K134-I141 HydrophobicContact CB-CD1 4.27Å; K134-I141 HydrophobicContact CD-CD1 4.36Å; K134-I141 HydrophobicContact CD-CG2 3.89Å; Q139-I141 PolarHBondContact O-N 2.74Å; I141-V143 HydrophobicContact CD1-CG2 4.21Å; I141-F156 VanDerWaalsContact O-CA 3.3Å; I141-F156 WeakPolarHBondContact O-CA 3.34Å; I141-A157 HydrophobicContact CD1-CB 4.16Å; I141-A157 HydrophobicContact CG1-CB 3.8Å; I141-A157 VanDerWaalsContact CG1-O 3.31Å; I141-A157 WeakPolarHBondContact CG1-O 3.26Å; I141-A157 PolarHBondContact N-O 3.36Å; I141-A157 PolarHBondContact O-N 3.33Å; I141-A157 VanDerWaalsContact O-N 3.11Å; I141-A167 HydrophobicContact CD1-CB 4.28Å; I141-L185 HydrophobicContact CB-CD1 3.94Å; I141-L185 HydrophobicContact CG2-CD1 4.18Å; I141-R187 VanDerWaalsContact CA-O 3.28Å; I141-R187 WeakPolarHBondContact CA-O 3.44Å; I141-N189 WeakPolarHBondContact CG2-O 3.4Å; I141-L190 HydrophobicContact CD1-CD2 4.28Å
142Q96.6Very high90.5Very high47 Ų4755 Ų5522%0.2226%0.264CS..EExtended strand (participates in β ladder)trans-121.9120.6167.5179.8-178.4-12.700108.3A155 F156 L185 E186 R187Q142-A155 WeakPolarHBondContact CA-O 3.22Å; Q142-F156 HydrophobicContact CB-CD1 3.8Å; Q142-F156 HydrophobicContact CB-CE1 3.64Å; Q142-F156 HydrophobicContact CB-CZ 4.49Å; Q142-F156 VanDerWaalsContact CD-CE1 3.47Å; Q142-F156 HydrophobicContact CG-CD1 3.95Å; Q142-F156 HydrophobicContact CG-CE1 3.43Å; Q142-F156 VanDerWaalsContact CG-CE1 3.43Å; Q142-F156 HydrophobicContact CG-CZ 3.8Å; Q142-L185 CarbonylContact O-C 3.54Å; Q142-E186 HydrophobicContact CB-CB 4.36Å; Q142-E186 HydrophobicContact CG-CB 4.12Å; Q142-E186 PolarHBondContact O-N 3.43Å; Q142-R187 HydrophobicContact CB-CB 3.71Å; Q142-R187 PolarHBondContact N-O 3.06Å; Q142-R187 PolarHBondContact O-N 2.95Å
143V98.1Very high90.5Very high0 Ų056.7 Ų56.70%027%0.273CS..EExtended strand (participates in β ladder)trans-111.9129.6177.5178.80000108.8I98 F130 V132 I141 S154 A155 A167 L183 K184 L185I98-V143 HydrophobicContact CD1-CB 4.37Å; I98-V143 HydrophobicContact CD1-CG1 3.66Å; I98-V143 HydrophobicContact CD1-CG2 3.84Å; F130-V143 HydrophobicContact CD2-CG1 4.03Å; F130-V143 HydrophobicContact CE2-CB 4.06Å; F130-V143 HydrophobicContact CE2-CG1 3.66Å; F130-V143 HydrophobicContact CZ-CG1 4.29Å; V132-V143 HydrophobicContact CB-CG2 4.01Å; V132-V143 HydrophobicContact CG1-CG2 4.11Å; V132-V143 HydrophobicContact CG2-CG1 3.89Å; V132-V143 HydrophobicContact CG2-CG2 4.15Å; I141-V143 HydrophobicContact CD1-CG2 4.21Å; V143-S154 CarbonylContact O-C 3.59Å; V143-S154 VanDerWaalsContact O-CA 3.25Å; V143-S154 WeakPolarHBondContact O-CA 2.96Å; V143-A155 PolarHBondContact N-O 2.97Å; V143-A155 PolarHBondContact O-N 2.66Å; V143-A167 HydrophobicContact CB-CB 4.17Å; V143-A167 HydrophobicContact CG2-CB 3.95Å; V143-L183 HydrophobicContact CG1-CB 4.38Å; V143-K184 WeakPolarHBondContact CA-O 3.29Å; V143-L185 HydrophobicContact CG2-CD1 4.15Å
144S98.6Very high90.7Very high0 Ų057.4 Ų57.40%028%0.279CS..EExtended strand (participates in β ladder)trans-120.4137178.2-60.30000111.1I153 S154 L183 K184 E186S144-I153 CarbonylContact C-O 3.44Å; S144-I153 VanDerWaalsContact CA-O 3.29Å; S144-I153 WeakPolarHBondContact CA-O 3.32Å; S144-S154 PolarHBondContact OG-OG 3.11Å; S144-L183 WeakPolarHBondContact O-CA 3.35Å; S144-K184 PolarHBondContact N-O 2.93Å; S144-K184 PolarHBondContact O-N 2.68Å; S144-E186 WeakPolarHBondContact OG-CG 3.37Å
145L98.7Very high91.2Very high2 Ų257.5 Ų57.51%0.0128%0.281CS..EExtended strand (participates in β ladder)trans-74120.7159.1177.667.4000107.6F128 F130 V152 I153 A181 L183 F199F128-L145 HydrophobicContact CB-CD1 4.32Å; F128-L145 HydrophobicContact CB-CD2 3.73Å; F128-L145 HydrophobicContact CD1-CD1 4.47Å; F128-L145 HydrophobicContact CD2-CD2 4.05Å; F128-L145 HydrophobicContact CG-CD1 4.26Å; F128-L145 HydrophobicContact CG-CD2 4.04Å; F130-L145 HydrophobicContact CE1-CB 4.15Å; L145-V152 PolarHBondContact O-N 2.9Å; L145-I153 HydrophobicContact CB-CD1 4.37Å; L145-I153 HydrophobicContact CB-CG1 3.67Å; L145-I153 HydrophobicContact CD2-CD1 4.1Å; L145-I153 HydrophobicContact CD2-CG1 4Å; L145-I153 HydrophobicContact CG-CG1 4.47Å; L145-I153 PolarHBondContact N-O 3.15Å; L145-A181 HydrophobicContact CD1-CB 4.45Å; L145-L183 HydrophobicContact CB-CD2 4.19Å; L145-L183 HydrophobicContact CD1-CD2 3.97Å; L145-F199 HydrophobicContact CD1-CE2 4.03Å; L145-F199 HydrophobicContact CD1-CZ 4Å
146V98.4Very high92Very high1 Ų162.7 Ų62.71%0.00630%0.302CS..EExtended strand (participates in β ladder)trans-110.1129.5-176.7178.80000109.4G149 W150 A181 Y182 K184V146-G149 VanDerWaalsContact CG1-CA 3.4Å; V146-W150 CarbonylContact C-O 3.58Å; V146-W150 WeakPolarHBondContact CA-O 3.41Å; V146-A181 VanDerWaalsContact O-CA 3.31Å; V146-A181 WeakPolarHBondContact O-CA 3.38Å; V146-Y182 HydrophobicContact CB-CD2 4.25Å; V146-Y182 HydrophobicContact CB-CE1 4.24Å; V146-Y182 HydrophobicContact CB-CE2 3.91Å; V146-Y182 HydrophobicContact CG1-CE1 3.9Å; V146-Y182 HydrophobicContact CG1-CE2 3.98Å; V146-Y182 WeakPolarHBondContact CG1-OH 3.11Å; V146-Y182 HydrophobicContact CG2-CE2 4.36Å; V146-Y182 PolarHBondContact N-O 3.12Å; V146-Y182 PolarHBondContact O-N 2.92Å; V146-Y182 VanDerWaalsContact O-N 3.09Å; V146-K184 HydrophobicContact CG2-CB 3.59Å; V146-K184 HydrophobicContact CG2-CD 4.31Å
147L98.4Very high93.1Very high33 Ų3354 Ų5417%0.17327%0.269CS..EExtended strand (participates in β ladder)trans-112.3117.3172.6-177.766.2000108.8G149 W150 V152 M175 D179 K180L147-G149 PolarHBondContact O-N 2.92Å; L147-G149 VanDerWaalsContact O-N 3.09Å; L147-W150 PolarHBondContact N-O 2.93Å; L147-W150 PolarHBondContact O-N 2.84Å; L147-V152 HydrophobicContact CB-CG2 3.59Å; L147-M175 HydrophobicContact CD1-CE 3.48Å; L147-M175 VanDerWaalsContact CD1-CE 3.48Å; L147-M175 HydrophobicContact CD1-CG 4.01Å; L147-M175 HydrophobicContact CD1-SD 4.19Å; L147-D179 HydrophobicContact CD1-CB 4.06Å; L147-K180 WeakPolarHBondContact CA-O 3.18Å
148N97.3Very high94Very high75 Ų7554.7 Ų54.740%0.40128%0.276SS..THydrogen-bonded Turntrans50.435.9179.6-64.5-25.9000114.2D179 K180N148-D179 PolarHBondContact ND2-OD1 2.83Å; N148-D179 WeakPolarHBondContact OD1-CA 3.31Å; N148-K180 PolarHBondContact N-O 3.19Å; N148-K180 PolarHBondContact OD1-N 2.86Å
149G96.1Very high94.2Very high41 Ų4147.6 Ų47.642%0.42326%0.255SS..THydrogen-bonded Turntrans90-8.8-178.600000115.4V146 L147V146-G149 VanDerWaalsContact CG1-CA 3.4Å; L147-G149 PolarHBondContact O-N 2.92Å; L147-G149 VanDerWaalsContact O-N 3.09Å
150W97.5Very high93.7Very high202 Ų20250.1 Ų50.177%0.76527%0.266SS*.EExtended strand (participates in β ladder)trans-101.4128.6178.6-61.7101.8000112.1V146 L147V146-W150 CarbonylContact C-O 3.58Å; V146-W150 WeakPolarHBondContact CA-O 3.41Å; L147-W150 PolarHBondContact N-O 2.93Å; L147-W150 PolarHBondContact O-N 2.84Å
151P97.6Very high92.8Very high70 Ų7054.7 Ų54.746%0.45529%0.289SS..EExtended strand (participates in β ladder)trans-69.4132.1176.428.7-33.4000110.8
152V97.3Very high91.7Very high69 Ų6957.5 Ų57.542%0.41831%0.306SS..EExtended strand (participates in β ladder)trans-105.5-52.4-177.7-175.10000111.7L145 L147 V173L145-V152 PolarHBondContact O-N 2.9Å; L147-V152 HydrophobicContact CB-CG2 3.59Å; V152-V173 HydrophobicContact CG1-CG1 3.78Å
153I97.9Very high90.6Very high37 Ų3760 Ų6019%0.1933%0.325CS..EExtended strand (participates in β ladder)trans-132.9146.9174.956.6172.8000109.2F130 S144 L145 N169 A170F130-I153 HydrophobicContact CE1-CD1 4.13Å; F130-I153 HydrophobicContact CE1-CG1 4.25Å; S144-I153 CarbonylContact C-O 3.44Å; S144-I153 VanDerWaalsContact CA-O 3.29Å; S144-I153 WeakPolarHBondContact CA-O 3.32Å; L145-I153 HydrophobicContact CB-CD1 4.37Å; L145-I153 HydrophobicContact CB-CG1 3.67Å; L145-I153 HydrophobicContact CD2-CD1 4.1Å; L145-I153 HydrophobicContact CD2-CG1 4Å; L145-I153 HydrophobicContact CG-CG1 4.47Å; L145-I153 PolarHBondContact N-O 3.15Å; I153-N169 HydrophobicContact CD1-CB 4.13Å; I153-A170 VanDerWaalsContact CD1-C 3.49Å
154S98.3Very high89.7Confident39 Ų3967.4 Ų67.427%0.27335%0.352SS..EExtended strand (participates in β ladder)trans-128.7153.1-179.1-58.20000111.6V143 S144 N169V143-S154 CarbonylContact O-C 3.59Å; V143-S154 VanDerWaalsContact O-CA 3.25Å; V143-S154 WeakPolarHBondContact O-CA 2.96Å; S144-S154 PolarHBondContact OG-OG 3.11Å; S154-N169 PolarHBondContact O-ND2 3Å
155A97.5Very high89.3Confident8 Ų869.9 Ų69.97%0.06636%0.364CS..EExtended strand (participates in β ladder)trans-133.3157168.500000110.3F130 Q142 V143 A167 T168 N169F130-A155 HydrophobicContact CE2-CB 3.94Å; F130-A155 HydrophobicContact CZ-CB 4.09Å; Q142-A155 WeakPolarHBondContact CA-O 3.22Å; V143-A155 PolarHBondContact N-O 2.97Å; V143-A155 PolarHBondContact O-N 2.66Å; A155-A167 HydrophobicContact CB-CB 3.85Å; A155-T168 WeakPolarHBondContact CB-O 3.38Å; A155-N169 HydrophobicContact CB-CB 4.13Å
156F94.9Very high89Confident120 Ų12071.8 Ų71.853%0.52638%0.38SS..EExtended strand (participates in β ladder)trans-123.2150.1179.8-60.3-92.2000109.8I141 Q142I141-F156 VanDerWaalsContact O-CA 3.3Å; I141-F156 WeakPolarHBondContact O-CA 3.34Å; Q142-F156 HydrophobicContact CB-CD1 3.8Å; Q142-F156 HydrophobicContact CB-CE1 3.64Å; Q142-F156 HydrophobicContact CB-CZ 4.49Å; Q142-F156 VanDerWaalsContact CD-CE1 3.47Å; Q142-F156 HydrophobicContact CG-CD1 3.95Å; Q142-F156 HydrophobicContact CG-CE1 3.43Å; Q142-F156 VanDerWaalsContact CG-CE1 3.43Å; Q142-F156 HydrophobicContact CG-CZ 3.8Å
157A91.9Very high88.9Confident0 Ų071.7 Ų71.70%038%0.38CS..EExtended strand (participates in β ladder)trans-146.3123.7166.100000108.1N137 T140 I141 E165 A167N137-A157 VanDerWaalsContact ND2-C 3.31Å; N137-A157 PolarHBondContact ND2-O 3.41Å; T140-A157 CarbonylContact C-O 3.58Å; T140-A157 VanDerWaalsContact CA-O 3.31Å; T140-A157 WeakPolarHBondContact CA-O 3.34Å; I141-A157 HydrophobicContact CD1-CB 4.16Å; I141-A157 HydrophobicContact CG1-CB 3.8Å; I141-A157 VanDerWaalsContact CG1-O 3.31Å; I141-A157 WeakPolarHBondContact CG1-O 3.26Å; I141-A157 PolarHBondContact N-O 3.36Å; I141-A157 PolarHBondContact O-N 3.33Å; I141-A157 VanDerWaalsContact O-N 3.11Å; A157-E165 VanDerWaalsContact C-OE2 3.22Å; A157-E165 VanDerWaalsContact CA-CD 3.43Å; A157-E165 WeakPolarHBondContact CA-OE1 3.39Å; A157-E165 HydrophobicContact CB-CB 4.03Å; A157-E165 HydrophobicContact CB-CG 3.67Å; A157-A167 HydrophobicContact CB-CB 4.07Å
158G83.7Confident88.8Confident16 Ų1673.3 Ų73.317%0.16539%0.391CS..  trans-16521.2-17800000117.9N137 Q160 E165N137-G158 WeakPolarHBondContact ND2-CA 3.48Å; N137-G158 PolarHBondContact ND2-N 2.9Å; G158-Q160 PolarHBondContact O-N 3.33Å; G158-E165 WeakPolarHBondContact CA-OE2 3.29Å; G158-E165 PolarHBondContact N-OE1 3.19Å; G158-E165 PolarHBondContact N-OE2 2.82Å
159D76.1Confident88.8Confident74 Ų7472.3 Ų72.340%0.39639%0.386SS..  trans-70.7121.6-179.9-163.9-20.7000110.7D161 V162 E165D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 2.96Å; D159-D161 PolarHBondContact OD1-N 2.98Å; D159-D161 VanDerWaalsContact OD1-N 3.09Å; D159-V162 HydrophobicContact CB-CB 4.24Å; D159-V162 HydrophobicContact CB-CG2 3.83Å; D159-V162 PolarHBondContact O-N 3.29Å; D159-E165 PolarHBondContact N-OE2 2.77Å
160Q69.3Low88.8Confident158 Ų15872.3 Ų72.374%0.73838%0.381SS*.THydrogen-bonded Turntrans-73.9-21.7-175.1-62.4-17613.800112.4G158 V162G158-Q160 PolarHBondContact O-N 3.33Å; Q160-V162 VanDerWaalsContact C-N 3.33Å
161D72Confident88.7Confident156 Ų15663.6 Ų63.683%0.83436%0.355SS*.THydrogen-bonded Turntrans-90.3-1.9-177.1-64.4-36000112.3D159D159-D161 VanDerWaalsContact C-N 3.27Å; D159-D161 PolarHBondContact O-N 2.96Å; D159-D161 PolarHBondContact OD1-N 2.98Å; D159-D161 VanDerWaalsContact OD1-N 3.09Å
162V70.6Confident88.6Confident59 Ų5965.2 Ų65.236%0.35836%0.359SS..  trans-113.4134.6-174.9-1700000111.4D159 Q160 R164D159-V162 HydrophobicContact CB-CB 4.24Å; D159-V162 HydrophobicContact CB-CG2 3.83Å; D159-V162 PolarHBondContact O-N 3.29Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; V162-R164 WeakPolarHBondContact CG1-O 3.49Å
163T72.1Confident88.7Confident101 Ų10162.8 Ų62.862%0.6234%0.344SS*.SBendtrans-79.5-20.8-178.758.30000113.7Y136Y136-T163 PolarHBondContact N-O 2.89Å
164R79.5Confident88.7Confident155 Ų15565.5 Ų65.559%0.58536%0.358SS*.EExtended strand (participates in β ladder)trans-146.8129.5-179.5-67.1-175.1179.4145.22.1111.1K134 V135 V162K134-R164 WeakPolarHBondContact O-CA 3.38Å; V135-R164 HydrophobicContact CB-CG 4.39Å; V135-R164 HydrophobicContact CG1-CG 3.99Å; V135-R164 HydrophobicContact CG2-CG 4.17Å; V162-R164 WeakPolarHBondContact CG1-O 3.49Å
165E89.6Confident88.7Confident51 Ų5163.7 Ų63.724%0.23835%0.346CS..EExtended strand (participates in β ladder)trans-142.3154.7179.9-160.8-176.8172.800110.1V133 K134 N137 A157 G158 D159V133-E165 WeakPolarHBondContact CA-O 3.19Å; K134-E165 PolarHBondContact N-O 3.46Å; K134-E165 PolarHBondContact O-N 3.41Å; N137-E165 PolarHBondContact ND2-OE2 2.9Å; A157-E165 VanDerWaalsContact C-OE2 3.22Å; A157-E165 VanDerWaalsContact CA-CD 3.43Å; A157-E165 WeakPolarHBondContact CA-OE1 3.39Å; A157-E165 HydrophobicContact CB-CB 4.03Å; A157-E165 HydrophobicContact CB-CG 3.67Å; G158-E165 WeakPolarHBondContact CA-OE2 3.29Å; G158-E165 PolarHBondContact N-OE1 3.19Å; G158-E165 PolarHBondContact N-OE2 2.82Å; D159-E165 PolarHBondContact N-OE2 2.77Å
166A92.6Very high88.7Confident42 Ų4267.2 Ų67.235%0.34736%0.361SS..EExtended strand (participates in β ladder)trans-127.3118.9-176.400000111.4V132 V133 T168V132-A166 CarbonylContact O-C 3.56Å; V132-A166 VanDerWaalsContact O-CA 3.29Å; V132-A166 WeakPolarHBondContact O-CA 3.3Å; V133-A166 HydrophobicContact CG2-CB 4.17Å; A166-T168 PolarHBondContact O-N 2.79Å
167A96.1Very high88.9Confident0 Ų071.2 Ų71.20%037%0.372CS..EExtended strand (participates in β ladder)trans-75.6104.7166.200000108V132 I141 V143 A155 A157V132-A167 HydrophobicContact CB-CB 4.49Å; V132-A167 PolarHBondContact N-O 2.85Å; V132-A167 PolarHBondContact O-N 2.83Å; I141-A167 HydrophobicContact CD1-CB 4.28Å; V143-A167 HydrophobicContact CB-CB 4.17Å; V143-A167 HydrophobicContact CG2-CB 3.95Å; A155-A167 HydrophobicContact CB-CB 3.85Å; A157-A167 HydrophobicContact CB-CB 4.07Å
168T97.1Very high89.2Confident67 Ų6773.1 Ų73.141%0.41139%0.392SS..EExtended strand (participates in β ladder)trans-117.6129.2-173.8-62.90000111.1F130 H131 A155 A166F130-T168 WeakPolarHBondContact O-CA 3.36Å; H131-T168 WeakPolarHBondContact CE1-CG2 3.09Å; H131-T168 WeakPolarHBondContact ND1-CG2 3.38Å; H131-T168 PolarHBondContact ND1-OG1 3.09Å; A155-T168 WeakPolarHBondContact CB-O 3.38Å; A166-T168 PolarHBondContact O-N 2.79Å
169N98Very high89.9Confident54 Ų5473.8 Ų73.829%0.28939%0.391SS..EExtended strand (participates in β ladder)trans-153.7164.1166.2-147.8-23.9000111.2F130 I153 S154 A155F130-N169 WeakPolarHBondContact CD1-O 3.37Å; F130-N169 HydrophobicContact CE1-CB 3.7Å; F130-N169 HydrophobicContact CE2-CB 4.3Å; F130-N169 HydrophobicContact CZ-CB 3.54Å; F130-N169 PolarHBondContact N-O 2.92Å; F130-N169 PolarHBondContact O-N 2.91Å; I153-N169 HydrophobicContact CD1-CB 4.13Å; S154-N169 PolarHBondContact O-ND2 3Å; A155-N169 HydrophobicContact CB-CB 4.13Å
170A96.5Very high90.9Very high40 Ų4075.3 Ų75.333%0.33140%0.395SS..EExtended strand (participates in β ladder)trans-150150174.800000110.9F128 I153F128-A170 CarbonylContact O-C 3.58Å; F128-A170 WeakPolarHBondContact O-CA 3.34Å; F128-A170 WeakPolarHBondContact O-CB 3.34Å; I153-A170 VanDerWaalsContact CD1-C 3.49Å
171G94.2Very high92.3Very high20 Ų2067.9 Ų67.921%0.20636%0.36CS..EExtended strand (participates in β ladder)trans-162.3162.8-179.100000113.6F128F128-G171 PolarHBondContact N-O 2.92Å; F128-G171 PolarHBondContact O-N 2.96Å
172L96.6Very high93.6Very high104 Ų10462.4 Ų62.455%0.54533%0.328SS..EExtended strand (participates in β ladder)trans-102135.9171.5-62.8176.7000109.1V125 Y126 V204V125-L172 HydrophobicContact CG1-CB 4.23Å; V125-L172 HydrophobicContact CG1-CD2 4.47Å; Y126-L172 CarbonylContact O-C 3.54Å; Y126-L172 VanDerWaalsContact O-CA 3.3Å; Y126-L172 WeakPolarHBondContact O-CA 3.45Å; L172-V204 HydrophobicContact CD2-CG2 3.95Å
173V97.5Very high94.9Very high18 Ų1859.6 Ų59.611%0.10931%0.311CS..EExtended strand (participates in β ladder)trans-135144.1177.9-62.10000110.8V125 Y126 F128 V152 M175V125-V173 WeakPolarHBondContact CA-O 3.5Å; Y126-V173 PolarHBondContact N-O 3Å; Y126-V173 PolarHBondContact O-N 3.19Å; F128-V173 HydrophobicContact CD2-CG2 3.69Å; F128-V173 HydrophobicContact CE2-CG2 3.48Å; F128-V173 VanDerWaalsContact CE2-CG2 3.48Å; V152-V173 HydrophobicContact CG1-CG1 3.78Å; V173-M175 HydrophobicContact CG2-CG 3.85Å; V173-M175 HydrophobicContact CG2-SD 4.08Å
174L98.1Very high96.2Very high94 Ų9457.4 Ų57.449%0.49229%0.293SS..EExtended strand (participates in β ladder)trans-80.9128.1167.2179.365.6000108.2L207L174-L207 HydrophobicContact CD1-CD1 3.36Å
175M98.5Very high97Very high0 Ų050.6 Ų50.60%027%0.268CS..EExtended strand (participates in β ladder)trans-127.2144.4175.5-57.3-178.468.400110.2F118 A120 K123 G124 Y126 F128 L147 V173 D179 A181F118-M175 HydrophobicContact CD1-CE 4.24Å; F118-M175 HydrophobicContact CD1-SD 4.43Å; F118-M175 HydrophobicContact CE1-CE 4.39Å; F118-M175 HydrophobicContact CE1-SD 4.25Å; A120-M175 HydrophobicContact CB-CB 3.81Å; A120-M175 HydrophobicContact CB-CE 3.79Å; A120-M175 HydrophobicContact CB-SD 4.25Å; K123-M175 VanDerWaalsContact CA-O 3.26Å; K123-M175 WeakPolarHBondContact CA-O 3.34Å; G124-M175 PolarHBondContact N-O 2.99Å; G124-M175 PolarHBondContact O-N 2.95Å; Y126-M175 HydrophobicContact CD2-CB 3.67Å; Y126-M175 HydrophobicContact CD2-CG 3.8Å; Y126-M175 HydrophobicContact CD2-SD 3.87Å; Y126-M175 HydrophobicContact CE2-CB 3.78Å; Y126-M175 HydrophobicContact CE2-CG 4.38Å; Y126-M175 HydrophobicContact CE2-SD 4.49Å; Y126-M175 HydrophobicContact CG-CG 4.41Å; Y126-M175 HydrophobicContact CG-SD 3.95Å; F128-M175 HydrophobicContact CE2-SD 3.58Å; F128-M175 VanDerWaalsContact CE2-SD 3.58Å; F128-M175 HydrophobicContact CZ-SD 3.62Å; L147-M175 HydrophobicContact CD1-CE 3.48Å; L147-M175 VanDerWaalsContact CD1-CE 3.48Å; L147-M175 HydrophobicContact CD1-CG 4.01Å; L147-M175 HydrophobicContact CD1-SD 4.19Å; V173-M175 HydrophobicContact CG2-CG 3.85Å; V173-M175 HydrophobicContact CG2-SD 4.08Å; M175-D179 WeakPolarHBondContact CA-OD2 3.22Å; M175-D179 HydrophobicContact CB-CB 4.13Å; M175-D179 HydrophobicContact CE-CB 3.64Å; M175-D179 WeakPolarHBondContact CE-O 3.44Å; M175-A181 HydrophobicContact CE-CB 3.91Å; M175-A181 HydrophobicContact SD-CB 4.4Å
176E98.4Very high97.3Very high82 Ų8251.6 Ų51.638%0.38327%0.273SS..  trans-91.8164.8168.8-66.6-65.716700111.1A120 K123 G178 D179A120-E176 VanDerWaalsContact CB-O 3.28Å; A120-E176 WeakPolarHBondContact CB-O 3.39Å; K123-E176 WeakPolarHBondContact CD-OE1 3.18Å; K123-E176 WeakPolarHBondContact CD-OE2 3.45Å; K123-E176 VanDerWaalsContact CE-OE1 3.22Å; K123-E176 WeakPolarHBondContact CE-OE1 3.16Å; K123-E176 VanDerWaalsContact CG-OE2 3.32Å; K123-E176 WeakPolarHBondContact CG-OE2 3.28Å; K123-E176 IonicContact NZ-OE1 3.53Å; K123-E176 PolarHBondContact NZ-OE1 2.76Å; K123-E176 IonicContact NZ-OE2 2.82Å; E176-G178 PolarHBondContact O-N 2.88Å; E176-D179 PolarHBondContact N-OD2 3.37Å; E176-D179 WeakPolarHBondContact O-CB 3.38Å; E176-D179 PolarHBondContact O-N 3.11Å; E176-D179 VanDerWaalsContact O-N 3.15Å
177R97.8Very high97.3Very high205 Ų20557.2 Ų57.277%0.77429%0.285SS*.THydrogen-bonded Turntrans-60.1124.8175178.6173178.3-1690.1110.3A120 P121A120-R177 WeakPolarHBondContact O-CA 3.33Å; P121-R177 WeakPolarHBondContact O-CD 3.34Å; P121-R177 WeakPolarHBondContact O-CG 3.38Å
178G98.2Very high97.1Very high39 Ų3958.7 Ų58.740%0.40230%0.3SS..THydrogen-bonded Turntrans94.6-7.6178.900000114.4A120 E176A120-G178 PolarHBondContact O-N 3.25Å; E176-G178 PolarHBondContact O-N 2.88Å
179D98.7Very high96.8Very high30 Ų3057.8 Ų57.816%0.1629%0.293CS..  trans-62.4143.2174-76-11.8000111.2V119 A120 L147 N148 M175 E176V119-D179 CarbonylContact C-O 3.51Å; V119-D179 WeakPolarHBondContact CA-O 3.34Å; A120-D179 HydrophobicContact CB-CB 4.45Å; A120-D179 PolarHBondContact N-O 2.82Å; L147-D179 HydrophobicContact CD1-CB 4.06Å; N148-D179 PolarHBondContact ND2-OD1 2.83Å; N148-D179 WeakPolarHBondContact OD1-CA 3.31Å; M175-D179 WeakPolarHBondContact CA-OD2 3.22Å; M175-D179 HydrophobicContact CB-CB 4.13Å; M175-D179 HydrophobicContact CE-CB 3.64Å; M175-D179 WeakPolarHBondContact CE-O 3.44Å; E176-D179 PolarHBondContact N-OD2 3.37Å; E176-D179 WeakPolarHBondContact O-CB 3.38Å; E176-D179 PolarHBondContact O-N 3.11Å; E176-D179 VanDerWaalsContact O-N 3.15Å
180K98.6Very high96.4Very high107 Ų10755.5 Ų55.547%0.46528%0.28SS..EExtended strand (participates in β ladder)trans-111.4124.7-174.8-62.3-176.7-178.4179.10110.8I117 F118 V119 L147 N148I117-K180 HydrophobicContact CG2-CB 3.84Å; I117-K180 HydrophobicContact CG2-CD 4.34Å; I117-K180 HydrophobicContact CG2-CG 4.15Å; F118-K180 CarbonylContact O-C 3.58Å; F118-K180 WeakPolarHBondContact O-CA 3.33Å; V119-K180 HydrophobicContact CG2-CG 4.33Å; L147-K180 WeakPolarHBondContact CA-O 3.18Å; N148-K180 PolarHBondContact N-O 3.19Å; N148-K180 PolarHBondContact OD1-N 2.86Å
181A98.7Very high96Very high2 Ų258.3 Ų58.32%0.01729%0.288CS..EExtended strand (participates in β ladder)trans-115132.7172.400000111.2F118 F128 L145 V146 M175F118-A181 HydrophobicContact CB-CB 4.41Å; F118-A181 HydrophobicContact CD1-CB 4.36Å; F118-A181 PolarHBondContact N-O 3.07Å; F118-A181 PolarHBondContact O-N 2.91Å; F128-A181 HydrophobicContact CE1-CB 3.8Å; F128-A181 HydrophobicContact CE2-CB 4.14Å; F128-A181 HydrophobicContact CZ-CB 3.54Å; L145-A181 HydrophobicContact CD1-CB 4.45Å; V146-A181 VanDerWaalsContact O-CA 3.31Å; V146-A181 WeakPolarHBondContact O-CA 3.38Å; M175-A181 HydrophobicContact CE-CB 3.91Å; M175-A181 HydrophobicContact SD-CB 4.4Å
182Y98.6Very high95.6Very high40 Ų4058.9 Ų58.916%0.15729%0.294CS..EExtended strand (participates in β ladder)trans-156.8167.2177.758.1-83.9000111T97 I117 V146 K184T97-Y182 HydrophobicContact CG2-CD2 4.17Å; I117-Y182 HydrophobicContact CG1-CD1 4.27Å; I117-Y182 HydrophobicContact CG1-CG 4.24Å; I117-Y182 HydrophobicContact CG2-CD1 4.48Å; V146-Y182 HydrophobicContact CB-CD2 4.25Å; V146-Y182 HydrophobicContact CB-CE1 4.24Å; V146-Y182 HydrophobicContact CB-CE2 3.91Å; V146-Y182 HydrophobicContact CG1-CE1 3.9Å; V146-Y182 HydrophobicContact CG1-CE2 3.98Å; V146-Y182 WeakPolarHBondContact CG1-OH 3.11Å; V146-Y182 HydrophobicContact CG2-CE2 4.36Å; V146-Y182 PolarHBondContact N-O 3.12Å; V146-Y182 PolarHBondContact O-N 2.92Å; V146-Y182 VanDerWaalsContact O-N 3.09Å; Y182-K184 HydrophobicContact CD2-CB 4.49Å; Y182-K184 HydrophobicContact CE2-CB 4.24Å
183L98.6Very high95.3Very high1 Ų153.9 Ų53.91%0.00527%0.268CS..EExtended strand (participates in β ladder)trans-96.7134.6174.5-58.2-175.8000110.5I98 F100 F130 V132 V143 S144 L145 F199I98-L183 HydrophobicContact CB-CB 4.14Å; I98-L183 HydrophobicContact CD1-CB 4.21Å; I98-L183 HydrophobicContact CG1-CB 4.36Å; I98-L183 PolarHBondContact N-O 3.44Å; F100-L183 HydrophobicContact CE2-CD1 4.01Å; F100-L183 HydrophobicContact CZ-CD1 3.82Å; F130-L183 HydrophobicContact CB-CD1 3.49Å; F130-L183 VanDerWaalsContact CB-CD1 3.49Å; F130-L183 HydrophobicContact CB-CD2 4.02Å; F130-L183 HydrophobicContact CB-CG 4.38Å; F130-L183 HydrophobicContact CD1-CD2 3.68Å; F130-L183 HydrophobicContact CD2-CD1 4.23Å; F130-L183 HydrophobicContact CD2-CD2 4.42Å; F130-L183 HydrophobicContact CE1-CD2 4.21Å; F130-L183 HydrophobicContact CG-CD1 3.9Å; F130-L183 HydrophobicContact CG-CD2 3.79Å; V132-L183 HydrophobicContact CG2-CD1 4.14Å; V143-L183 HydrophobicContact CG1-CB 4.38Å; S144-L183 WeakPolarHBondContact O-CA 3.35Å; L145-L183 HydrophobicContact CB-CD2 4.19Å; L145-L183 HydrophobicContact CD1-CD2 3.97Å; L183-F199 HydrophobicContact CD1-CB 3.97Å; L183-F199 HydrophobicContact CD1-CD1 4.34Å; L183-F199 HydrophobicContact CD1-CD2 3.98Å; L183-F199 HydrophobicContact CD1-CG 3.86Å; L183-F199 HydrophobicContact CD2-CD2 4.15Å; L183-F199 HydrophobicContact CD2-CE2 3.96Å; L183-F199 HydrophobicContact CD2-CZ 4.28Å; L183-F199 HydrophobicContact CG-CD1 4.12Å; L183-F199 HydrophobicContact CG-CD2 4.01Å; L183-F199 HydrophobicContact CG-CE1 4.24Å; L183-F199 HydrophobicContact CG-CE2 4.13Å; L183-F199 HydrophobicContact CG-CG 4.02Å; L183-F199 HydrophobicContact CG-CZ 4.24Å
184K97.9Very high95.1Very high55 Ų5553.1 Ų53.124%0.23926%0.263CS..EExtended strand (participates in β ladder)trans-124.2138.3176.7-171.4174.8162.3-129.30110.4M96 V143 S144 V146 Y182 E186M96-K184 HydrophobicContact CB-CG 4.11Å; M96-K184 CarbonylContact O-C 3.58Å; M96-K184 WeakPolarHBondContact O-CA 3.44Å; V143-K184 WeakPolarHBondContact CA-O 3.29Å; S144-K184 PolarHBondContact N-O 2.93Å; S144-K184 PolarHBondContact O-N 2.68Å; V146-K184 HydrophobicContact CG2-CB 3.59Å; V146-K184 HydrophobicContact CG2-CD 4.31Å; Y182-K184 HydrophobicContact CD2-CB 4.49Å; Y182-K184 HydrophobicContact CE2-CB 4.24Å; K184-E186 WeakPolarHBondContact CD-OE1 3.42Å; K184-E186 IonicContact NZ-OE1 2.69Å; K184-E186 PolarHBondContact NZ-OE1 2.98Å; K184-E186 IonicContact NZ-OE2 2.71Å; K184-E186 PolarHBondContact NZ-OE2 3.19Å; K184-E186 PolarHBondContact O-N 2.67Å
185L96.9Very high95Very high11 Ų1151 Ų516%0.05825%0.25CC..EExtended strand (participates in β ladder)trans-8499.9170.2-172.571.2000108.6M96 I98 I141 Q142 V143 R187 L190M96-L185 HydrophobicContact CB-CB 4.39Å; M96-L185 WeakPolarHBondContact CB-O 3.26Å; M96-L185 PolarHBondContact O-N 3.02Å; I98-L185 HydrophobicContact CD1-CB 4.46Å; I98-L185 HydrophobicContact CG1-CB 4.36Å; I141-L185 HydrophobicContact CB-CD1 3.94Å; I141-L185 HydrophobicContact CG2-CD1 4.18Å; Q142-L185 CarbonylContact O-C 3.54Å; V143-L185 HydrophobicContact CG2-CD1 4.15Å; L185-R187 WeakPolarHBondContact CD1-O 3.37Å; L185-L190 HydrophobicContact CD1-CD2 4.42Å; L185-L190 HydrophobicContact CD1-CG 4.42Å; L185-L190 HydrophobicContact CD2-CD1 4.46Å; L185-L190 HydrophobicContact CD2-CG 3.96Å
186E95.9Very high94.8Very high72 Ų7257.8 Ų57.834%0.33628%0.276SS..EExtended strand (participates in β ladder)trans-78.6-28.8-179.5-68.9-63.3164.300112.2Q142 S144 K184Q142-E186 HydrophobicContact CB-CB 4.36Å; Q142-E186 HydrophobicContact CG-CB 4.12Å; Q142-E186 PolarHBondContact O-N 3.43Å; S144-E186 WeakPolarHBondContact OG-CG 3.37Å; K184-E186 WeakPolarHBondContact CD-OE1 3.42Å; K184-E186 IonicContact NZ-OE1 2.69Å; K184-E186 PolarHBondContact NZ-OE1 2.98Å; K184-E186 IonicContact NZ-OE2 2.71Å; K184-E186 PolarHBondContact NZ-OE2 3.19Å; K184-E186 PolarHBondContact O-N 2.67Å
187R93.3Very high94.8Very high161 Ų16153.9 Ų53.961%0.60826%0.258SS*.EExtended strand (participates in β ladder)trans-143.4145.8178.9-166.6176.8178.4-175.9-1.8111.1I141 Q142 L185I141-R187 VanDerWaalsContact CA-O 3.28Å; I141-R187 WeakPolarHBondContact CA-O 3.44Å; Q142-R187 HydrophobicContact CB-CB 3.71Å; Q142-R187 PolarHBondContact N-O 3.06Å; Q142-R187 PolarHBondContact O-N 2.95Å; L185-R187 WeakPolarHBondContact CD1-O 3.37Å
188G91.4Very high94.8Very high31 Ų3146.2 Ų46.232%0.3223%0.234SC..SBendtrans89-159.6176.500000113
189N89.8Confident94.8Very high48 Ų4844.3 Ų44.326%0.25722%0.215SC..  trans-142.5163.8174.560.366.8000110K134 Q139 I141 M191K134-N189 VanDerWaalsContact CE-O 3.29Å; K134-N189 WeakPolarHBondContact CE-O 3.38Å; K134-N189 PolarHBondContact NZ-O 3.2Å; Q139-N189 PolarHBondContact OE1-ND2 2.79Å; I141-N189 WeakPolarHBondContact CG2-O 3.4Å; N189-M191 HydrophobicContact CB-CG 4.08Å; N189-M191 VanDerWaalsContact OD1-CB 3.31Å; N189-M191 WeakPolarHBondContact OD1-CB 3.17Å; N189-M191 VanDerWaalsContact OD1-CG 3.32Å; N189-M191 WeakPolarHBondContact OD1-CG 3.28Å; N189-M191 PolarHBondContact OD1-N 3.39Å; N189-M191 VanDerWaalsContact OD1-N 3.15Å
190L90.1Very high94.8Very high5 Ų544.7 Ų44.73%0.02622%0.219CC..  trans-107.434.4173.8-61.4171.3000111.2P88 I98 V132 K134 I141 L185 G193 W194P88-L190 HydrophobicContact CG-CB 4.18Å; I98-L190 HydrophobicContact CD1-CD1 4.27Å; I98-L190 HydrophobicContact CG1-CD1 4.04Å; I98-L190 HydrophobicContact CG2-CD1 4.16Å; V132-L190 HydrophobicContact CG1-CD2 4.08Å; K134-L190 HydrophobicContact CD-CD2 4.47Å; I141-L190 HydrophobicContact CD1-CD2 4.28Å; L185-L190 HydrophobicContact CD1-CD2 4.42Å; L185-L190 HydrophobicContact CD1-CG 4.42Å; L185-L190 HydrophobicContact CD2-CD1 4.46Å; L185-L190 HydrophobicContact CD2-CG 3.96Å; L190-G193 PolarHBondContact O-N 3.5Å; L190-G193 VanDerWaalsContact O-N 3.11Å; L190-W194 HydrophobicContact CB-CD2 4.23Å; L190-W194 HydrophobicContact CB-CE3 3.55Å; L190-W194 HydrophobicContact CB-CZ3 4.08Å; L190-W194 HydrophobicContact CD1-CB 4.49Å; L190-W194 HydrophobicContact CD1-CD2 3.86Å; L190-W194 HydrophobicContact CD1-CE3 3.96Å; L190-W194 HydrophobicContact CD1-CG 4.12Å; L190-W194 HydrophobicContact CD2-CB 4.23Å; L190-W194 HydrophobicContact CG-CE3 4.34Å
191M88Confident94.8Very high99 Ų9939.7 Ų39.749%0.48820%0.199SC..THydrogen-bonded Turntrans-60.3140.8174.2-64.9-62.6-58.400110E87 N189 G193E87-M191 HydrophobicContact CG-CE 4.47Å; E87-M191 WeakPolarHBondContact OE2-CA 3.45Å; E87-M191 WeakPolarHBondContact OE2-CE 3.41Å; N189-M191 HydrophobicContact CB-CG 4.08Å; N189-M191 VanDerWaalsContact OD1-CB 3.31Å; N189-M191 WeakPolarHBondContact OD1-CB 3.17Å; N189-M191 VanDerWaalsContact OD1-CG 3.32Å; N189-M191 WeakPolarHBondContact OD1-CG 3.28Å; N189-M191 PolarHBondContact OD1-N 3.39Å; N189-M191 VanDerWaalsContact OD1-N 3.15Å; M191-G193 VanDerWaalsContact C-N 3.29Å
192G86.6Confident94.7Very high32 Ų3243 Ų4333%0.3321%0.213SC..THydrogen-bonded Turntrans85.10.1-171.800000114.2E87E87-G192 VanDerWaalsContact CD-N 3.32Å; E87-G192 WeakPolarHBondContact OE1-CA 3.31Å; E87-G192 PolarHBondContact OE1-N 3.45Å; E87-G192 PolarHBondContact OE2-N 2.91Å; E87-G192 VanDerWaalsContact OE2-N 3.07Å
193G89.9Confident94.6Very high0 Ų041.9 Ų41.90%021%0.21CC..  trans82167.5178.900000114L190 M191L190-G193 PolarHBondContact O-N 3.5Å; L190-G193 VanDerWaalsContact O-N 3.11Å; M191-G193 VanDerWaalsContact C-N 3.29Å
194W93.9Very high94.4Very high2 Ų243.1 Ų43.11%0.00822%0.217CC..  trans-131.938.7-176.961.5101.2000112R82 H86 P88 Y99 V133 L190 S197R82-W194 WeakPolarHBondContact CB-O 3.29Å; R82-W194 VanDerWaalsContact CD-NE1 3.3Å; R82-W194 HydrophobicContact CG-CD2 4.3Å; R82-W194 HydrophobicContact CG-CG 4.01Å; R82-W194 WeakPolarHBondContact CG-O 3.49Å; H86-W194 WeakPolarHBondContact O-CZ3 3.35Å; P88-W194 HydrophobicContact CB-CH2 4.3Å; P88-W194 HydrophobicContact CB-CZ3 4.19Å; P88-W194 HydrophobicContact CG-CH2 4.3Å; P88-W194 HydrophobicContact CG-CZ3 3.7Å; Y99-W194 PolarHBondContact O-NE1 3.27Å; V133-W194 CarbonylContact O-C 3.52Å; V133-W194 WeakPolarHBondContact O-CA 3.3Å; V133-W194 WeakPolarHBondContact O-CB 3.25Å; L190-W194 HydrophobicContact CB-CD2 4.23Å; L190-W194 HydrophobicContact CB-CE3 3.55Å; L190-W194 HydrophobicContact CB-CZ3 4.08Å; L190-W194 HydrophobicContact CD1-CB 4.49Å; L190-W194 HydrophobicContact CD1-CD2 3.86Å; L190-W194 HydrophobicContact CD1-CE3 3.96Å; L190-W194 HydrophobicContact CD1-CG 4.12Å; L190-W194 HydrophobicContact CD2-CB 4.23Å; L190-W194 HydrophobicContact CG-CE3 4.34Å; W194-S197 WeakPolarHBondContact O-CB 2.98Å; W194-S197 PolarHBondContact O-N 2.99Å; W194-S197 PolarHBondContact O-OG 2.87Å
195K94.6Very high93.9Very high48 Ų4845.4 Ų45.421%0.20923%0.227CC..THydrogen-bonded Turntrans-53.6148.6177.1-173.2172.1179.61670110.7N83 T84 N85 S197N83-K195 WeakPolarHBondContact O-CD 3.35Å; N83-K195 WeakPolarHBondContact O-CE 3.42Å; N83-K195 PolarHBondContact O-NZ 3.1Å; T84-K195 WeakPolarHBondContact O-CB 3.4Å; N85-K195 WeakPolarHBondContact OD1-CB 3.33Å; K195-S197 PolarHBondContact O-N 3.09Å
196Y95.3Very high93.7Very high144 Ų14447.7 Ų47.757%0.56524%0.243SC*.THydrogen-bonded Turntrans75-3.1-174.8-45.2-68.9000115R82R82-Y196 PolarHBondContact O-N 3.15Å
197S97.4Very high93.4Very high0 Ų050.6 Ų50.60%026%0.26CS..  trans-63.2144.5171.7-59.60000111.4I81 R82 H131 V132 V133 W194 K195I81-S197 CarbonylContact C-O 3.47Å; I81-S197 VanDerWaalsContact CA-O 3.28Å; I81-S197 WeakPolarHBondContact CA-O 3.29Å; R82-S197 PolarHBondContact N-O 2.92Å; H131-S197 CarbonylContact O-C 3.48Å; H131-S197 WeakPolarHBondContact O-CA 3.46Å; H131-S197 WeakPolarHBondContact O-CB 3.47Å; V132-S197 WeakPolarHBondContact CA-OG 3.22Å; V133-S197 PolarHBondContact N-OG 2.89Å; V133-S197 PolarHBondContact O-OG 3.05Å; W194-S197 WeakPolarHBondContact O-CB 2.98Å; W194-S197 PolarHBondContact O-N 2.99Å; W194-S197 PolarHBondContact O-OG 2.87Å; K195-S197 PolarHBondContact O-N 3.09Å
198T98.5Very high93.4Very high43 Ų4345.1 Ų45.126%0.26424%0.242SC..EExtended strand (participates in β ladder)trans-129.3145.4-180670000111A80 I81 F130 H131A80-T198 WeakPolarHBondContact O-CA 3.38Å; I81-T198 HydrophobicContact CG2-CG2 3.92Å; F130-T198 WeakPolarHBondContact CA-O 3.16Å; H131-T198 PolarHBondContact CD2-OG1 2.77Å; H131-T198 PolarHBondContact N-O 2.89Å; H131-T198 PolarHBondContact O-N 3.09Å
199F98.7Very high93.5Very high0 Ų045.8 Ų45.80%024%0.238CC..EExtended strand (participates in β ladder)trans-141.2123.7169-180-145.9000109.1F78 A80 F100 F111 F128 F130 L145 L183F78-F199 AromaticContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD1 3.72Å; F78-F199 HydrophobicContact CE2-CD2 4.3Å; F78-F199 AromaticContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE1 3.81Å; F78-F199 HydrophobicContact CE2-CE2 4.38Å; F78-F199 AromaticContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CG 3.98Å; F78-F199 HydrophobicContact CE2-CZ 4.15Å; F78-F199 HydrophobicContact CZ-CD1 4.14Å; F78-F199 HydrophobicContact CZ-CD2 4.28Å; F78-F199 AromaticContact CZ-CE1 3.79Å; F78-F199 HydrophobicContact CZ-CE1 3.79Å; F78-F199 AromaticContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CE2 3.95Å; F78-F199 HydrophobicContact CZ-CG 4.37Å; F78-F199 AromaticContact CZ-CZ 3.7Å; F78-F199 HydrophobicContact CZ-CZ 3.7Å; A80-F199 PolarHBondContact N-O 2.86Å; A80-F199 PolarHBondContact O-N 2.88Å; F100-F199 HydrophobicContact CD1-CB 4.43Å; F100-F199 HydrophobicContact CD2-CB 4.12Å; F100-F199 HydrophobicContact CD2-CD1 4.44Å; F100-F199 HydrophobicContact CE1-CB 3.9Å; F100-F199 HydrophobicContact CE2-CB 3.56Å; F100-F199 HydrophobicContact CE2-CD1 4.09Å; F100-F199 HydrophobicContact CE2-CG 4.21Å; F100-F199 HydrophobicContact CZ-CB 3.45Å; F100-F199 VanDerWaalsContact CZ-CB 3.45Å; F100-F199 HydrophobicContact CZ-CG 4.45Å; F111-F199 AromaticContact CE2-CD1 3.86Å; F111-F199 HydrophobicContact CE2-CD1 3.86Å; F111-F199 AromaticContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CE2-CE1 3.92Å; F111-F199 HydrophobicContact CZ-CD1 4.38Å; F128-F199 HydrophobicContact CB-CE2 4.39Å; F128-F199 AromaticContact CD1-CE2 3.78Å; F128-F199 HydrophobicContact CD1-CE2 3.78Å; F128-F199 AromaticContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CD1-CZ 3.91Å; F128-F199 HydrophobicContact CE1-CZ 4.32Å; F128-F199 HydrophobicContact CG-CE2 4.49Å; F130-F199 HydrophobicContact CB-CD2 4.05Å; L145-F199 HydrophobicContact CD1-CE2 4.03Å; L145-F199 HydrophobicContact CD1-CZ 4Å; L183-F199 HydrophobicContact CD1-CB 3.97Å; L183-F199 HydrophobicContact CD1-CD1 4.34Å; L183-F199 HydrophobicContact CD1-CD2 3.98Å; L183-F199 HydrophobicContact CD1-CG 3.86Å; L183-F199 HydrophobicContact CD2-CD2 4.15Å; L183-F199 HydrophobicContact CD2-CE2 3.96Å; L183-F199 HydrophobicContact CD2-CZ 4.28Å; L183-F199 HydrophobicContact CG-CD1 4.12Å; L183-F199 HydrophobicContact CG-CD2 4.01Å; L183-F199 HydrophobicContact CG-CE1 4.24Å; L183-F199 HydrophobicContact CG-CE2 4.13Å; L183-F199 HydrophobicContact CG-CG 4.02Å; L183-F199 HydrophobicContact CG-CZ 4.24Å
200S98.6Very high93.7Very high37 Ų3745.7 Ų45.726%0.25924%0.237SC..EExtended strand (participates in β ladder)trans-140.4157.1-17860.80000111.3F78 F128 S129F78-S200 WeakPolarHBondContact O-CA 3.47Å; F78-S200 WeakPolarHBondContact O-CB 3.48Å; F128-S200 WeakPolarHBondContact CA-O 3.35Å; S129-S200 PolarHBondContact N-O 2.85Å; S129-S200 PolarHBondContact O-N 2.68Å
201G97.9Very high93.9Very high3 Ų348.1 Ų48.13%0.03125%0.25CC..EExtended strand (participates in β ladder)trans-172162.6174.100000113.1A77 F78 S127A77-G201 CarbonylContact C-O 3.58Å; A77-G201 WeakPolarHBondContact CA-O 3.39Å; F78-G201 WeakPolarHBondContact CD1-O 3.4Å; F78-G201 VanDerWaalsContact CE1-CA 3.49Å; F78-G201 PolarHBondContact N-O 2.99Å; F78-G201 PolarHBondContact O-N 3.17Å; S127-G201 CarbonylContact O-C 3.58Å; S127-G201 WeakPolarHBondContact O-CA 3.32Å
202F97.1Very high94.3Very high70 Ų7044.9 Ų44.931%0.30724%0.235SC..EExtended strand (participates in β ladder)trans-157.5157.9-17760.3-86.4000111.8L49 V51 V76 A77 Y126 S127 V204L49-F202 HydrophobicContact CD2-CE2 3.31Å; L49-F202 HydrophobicContact CD2-CZ 3.38Å; V51-F202 HydrophobicContact CG2-CE2 4.45Å; V76-F202 CarbonylContact O-C 3.56Å; V76-F202 VanDerWaalsContact O-CA 3.22Å; V76-F202 WeakPolarHBondContact O-CA 3.31Å; V76-F202 VanDerWaalsContact O-CB 3.26Å; V76-F202 WeakPolarHBondContact O-CB 3.21Å; A77-F202 HydrophobicContact CB-CB 3.8Å; Y126-F202 WeakPolarHBondContact CA-O 3.46Å; S127-F202 PolarHBondContact N-O 2.77Å; S127-F202 PolarHBondContact O-N 2.96Å; F202-V204 HydrophobicContact CD2-CG2 4.49Å; F202-V204 HydrophobicContact CE2-CG2 4.09Å
203L95.7Very high94.8Very high18 Ų1845.7 Ų45.79%0.09423%0.228CC..EExtended strand (participates in β ladder)trans-75.2121.8171.8176.164.8000109.2V76 R122 Y126 F205 P206V76-L203 HydrophobicContact CB-CB 3.78Å; V76-L203 HydrophobicContact CG2-CB 4.29Å; V76-L203 HydrophobicContact CG2-CD2 4.22Å; V76-L203 PolarHBondContact O-N 2.88Å; R122-L203 HydrophobicContact CG-CD2 4.42Å; Y126-L203 HydrophobicContact CD1-CB 4.07Å; Y126-L203 HydrophobicContact CD1-CD1 4.28Å; Y126-L203 HydrophobicContact CD2-CD1 4.29Å; Y126-L203 HydrophobicContact CE1-CB 3.76Å; Y126-L203 HydrophobicContact CE1-CD1 3.87Å; Y126-L203 HydrophobicContact CE1-CG 4.36Å; Y126-L203 HydrophobicContact CE2-CD1 3.89Å; Y126-L203 HydrophobicContact CG-CD1 4.48Å; L203-F205 WeakPolarHBondContact CD1-O 3.5Å; L203-P206 HydrophobicContact CD2-CB 4.45Å
204V93.9Very high95.1Very high26 Ų2649 Ų4916%0.15825%0.245CC..EExtended strand (participates in β ladder)trans-77.6-53.5174.9-172.20000109.6L49 V125 L172 F202L49-V204 HydrophobicContact CD2-CG1 4.16Å; L49-V204 HydrophobicContact CD2-CG2 4.32Å; V125-V204 HydrophobicContact CG1-CG2 4.45Å; V125-V204 WeakPolarHBondContact O-CB 3.15Å; V125-V204 PolarHBondContact O-N 2.81Å; L172-V204 HydrophobicContact CD2-CG2 3.95Å; F202-V204 HydrophobicContact CD2-CG2 4.49Å; F202-V204 HydrophobicContact CE2-CG2 4.09Å
205F89.2Confident95.2Very high103 Ų10352.6 Ų52.645%0.45226%0.263SS..EExtended strand (participates in β ladder)trans-156.6145.617249.8-98.5000111G124 V125 L203 L207G124-F205 WeakPolarHBondContact CA-O 3.32Å; V125-F205 HydrophobicContact CB-CD2 4.38Å; V125-F205 HydrophobicContact CB-CE1 4.32Å; V125-F205 HydrophobicContact CB-CE2 3.87Å; V125-F205 HydrophobicContact CB-CZ 3.82Å; V125-F205 HydrophobicContact CG1-CZ 4.39Å; V125-F205 HydrophobicContact CG2-CD2 4.29Å; V125-F205 HydrophobicContact CG2-CE2 3.44Å; V125-F205 VanDerWaalsContact CG2-CE2 3.44Å; V125-F205 HydrophobicContact CG2-CZ 3.57Å; V125-F205 PolarHBondContact N-O 2.92Å; L203-F205 WeakPolarHBondContact CD1-O 3.5Å; F205-L207 HydrophobicContact CD2-CD2 4.21Å; F205-L207 HydrophobicContact CD2-CG 4.46Å; F205-L207 HydrophobicContact CE2-CD2 4.07Å; F205-L207 HydrophobicContact CE2-CG 4.42Å
206P92.3Very high95.3Very high60 Ų6053 Ų5339%0.3927%0.267SS..EExtended strand (participates in β ladder)trans-73.3158.7172.632.6-35.4000111.8K123 L203K123-P206 WeakPolarHBondContact O-CA 3.48Å; L203-P206 HydrophobicContact CD2-CB 4.45Å
207L89Confident95.3Very high132 Ų13244.7 Ų44.769%0.69124%0.24SC*.  trans-122.60171.6-67.4171.2000111.5K123 V125 L174 F205K123-L207 HydrophobicContact CD-CB 4.13Å; K123-L207 HydrophobicContact CG-CB 4.08Å; K123-L207 PolarHBondContact O-N 2.94Å; K123-L207 VanDerWaalsContact O-N 3.1Å; V125-L207 HydrophobicContact CG2-CD1 4.37Å; L174-L207 HydrophobicContact CD1-CD1 3.36Å; F205-L207 HydrophobicContact CD2-CD2 4.21Å; F205-L207 HydrophobicContact CD2-CG 4.46Å; F205-L207 HydrophobicContact CE2-CD2 4.07Å; F205-L207 HydrophobicContact CE2-CG 4.42Å

Retrieved 207 of 207 residues in 235 ms (Link to these results)