A0A096MPH4_PAPAN Loading...

Rhombotin-2

Acts with TAL1/SCL to regulate red blood cell development. Also acts with LDB1 to maintain erythroid precursors in an immature state.

AlphaFold DB (A0A2K5MEY1), UniProt , Accession A0A096MPH4, Species PAPAN (Papio anubis, Olive baboon), Gene LMO2, Length 222 aa.

Structure Viewer
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(Predicted Aligned Error values between residue pairs)
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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
1M55.6Low74.4Confident197 Ų19775.2 Ų75.297%0.9742%0.42SS*.  0111.80-69.1-176.5-173.600107.2G3M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.94Å
2E62.5Low73.2Confident162 Ų16274.5 Ų74.576%0.75744%0.443SS*.  trans-85.866.6-173.9-64.9172.5100.400111.1
3G69.9Low70.7Confident32 Ų3271.9 Ų71.933%0.3344%0.441SS..EExtended strand (participates in β ladder)trans-84.8110171.600000110.1M1 L135M1-G3 VanDerWaalsContact C-N 3.27Å; M1-G3 PolarHBondContact O-N 2.94Å; G3-L135 CarbonylContact C-O 3.58Å; G3-L135 WeakPolarHBondContact CA-O 3.45Å
4S77.2Confident68.5Low43 Ų4372.8 Ų72.830%0.30146%0.459SS..EExtended strand (participates in β ladder)trans-73.9137.3173.5-60.30000110.6R134 L135S4-R134 WeakPolarHBondContact O-CA 3.19Å; S4-L135 PolarHBondContact N-O 3.46Å; S4-L135 PolarHBondContact O-N 2.84Å
5A80.1Confident66.5Low65 Ų6575.8 Ų75.854%0.53748%0.484SS..EExtended strand (participates in β ladder)trans-68.4141.1170.900000110.2
6V80.9Confident64.6Low13 Ų1376.8 Ų76.88%0.07949%0.494CS..PPolyproline II helixtrans-95.5119.7164.2-176.20000106.8L107 L119 R133 L135V6-L107 HydrophobicContact CG1-CB 4.16Å; V6-L107 HydrophobicContact CG1-CD1 4.22Å; V6-L107 HydrophobicContact CG1-CD2 4.09Å; V6-L107 HydrophobicContact CG1-CG 4.39Å; V6-L119 HydrophobicContact CG1-CD2 3.9Å; V6-L119 HydrophobicContact CG2-CD2 4.05Å; V6-R133 PolarHBondContact N-O 2.68Å; V6-L135 HydrophobicContact CG2-CB 4.02Å; V6-L135 HydrophobicContact CG2-CD2 3.6Å; V6-L135 HydrophobicContact CG2-CG 4.34Å
7T81.6Confident63.4Low69 Ų6978.6 Ų78.642%0.42351%0.506SS..EExtended strand (participates in β ladder)trans-102.8134.9170.550.70000110L9 L107 K108T7-L9 WeakPolarHBondContact OG1-CD1 3.23Å; T7-L107 WeakPolarHBondContact O-CA 3.3Å; T7-K108 PolarHBondContact N-O 3.03Å; T7-K108 VanDerWaalsContact N-O 3.14Å; T7-K108 PolarHBondContact O-N 3.06Å
8V82.1Confident62.3Low92 Ų9281.4 Ų81.456%0.55852%0.524SS*.EExtended strand (participates in β ladder)trans-87.8127.5169.4-174.20000107Y105 L107V8-Y105 HydrophobicContact CG1-CD1 4.27Å; V8-L107 HydrophobicContact CB-CD2 4.31Å; V8-L107 HydrophobicContact CG1-CD2 4.45Å; V8-L107 HydrophobicContact CG2-CD2 3.77Å
9L81.1Confident61.1Low22 Ų2286.6 Ų86.612%0.11554%0.541CS..EExtended strand (participates in β ladder)trans-114.2140.9176.6-7772000109T7 V84 Y105 F106 K108 Y113T7-L9 WeakPolarHBondContact OG1-CD1 3.23Å; L9-V84 HydrophobicContact CD2-CG1 3.84Å; L9-V84 HydrophobicContact CG-CG1 4.41Å; L9-Y105 WeakPolarHBondContact O-CA 3.39Å; L9-F106 HydrophobicContact CB-CD1 4.32Å; L9-F106 HydrophobicContact CB-CD2 4.19Å; L9-F106 HydrophobicContact CB-CE1 3.83Å; L9-F106 HydrophobicContact CB-CE2 3.71Å; L9-F106 HydrophobicContact CB-CG 4.48Å; L9-F106 HydrophobicContact CB-CZ 3.51Å; L9-F106 HydrophobicContact CD2-CE2 3.71Å; L9-F106 HydrophobicContact CD2-CZ 3.83Å; L9-F106 HydrophobicContact CG-CE2 4.29Å; L9-F106 HydrophobicContact CG-CZ 4.33Å; L9-F106 PolarHBondContact N-O 2.86Å; L9-F106 PolarHBondContact O-N 3.05Å; L9-K108 HydrophobicContact CD1-CB 3.67Å; L9-K108 HydrophobicContact CD2-CB 4.5Å; L9-Y113 HydrophobicContact CD2-CE1 4.21Å
10E79Confident60.6Low58 Ų5893.2 Ų93.227%0.27156%0.555SS.*EExtended strand (participates in β ladder)trans-105.1140.6168.6-81.5-164.782.700110.7G12 R104 Y105E10-G12 PolarHBondContact O-N 3.37Å; E10-R104 CarbonylContact C-O 3.59Å; E10-R104 WeakPolarHBondContact CA-O 3.4Å; E10-R104 IonicContact OE1-CZ 3.49Å; E10-R104 VanDerWaalsContact OE1-CZ 3.26Å; E10-R104 IonicContact OE1-NE 3.69Å; E10-R104 PolarHBondContact OE1-NE 2.79Å; E10-R104 IonicContact OE1-NH2 2.72Å; E10-R104 PolarHBondContact OE1-NH2 2.94Å; E10-Y105 HydrophobicContact CG-CD1 3.39Å; E10-Y105 HydrophobicContact CG-CE1 3.26Å; E10-Y105 HydrophobicContact CG-CG 4.24Å; E10-Y105 WeakPolarHBondContact OE1-CE1 3.22Å; E10-Y105 VanDerWaalsContact OE1-CZ 3.29Å; E10-Y105 PolarHBondContact OE1-OH 3.1Å
11R68.7Low59.9Low74 Ų7499.4 Ų99.428%0.27957%0.568SS.*SBendtrans-78.1112.2163-68.2-167.4168.1151.90.5110.1I101 G102 R104 F106R11-I101 PolarHBondContact NH1-O 3.29Å; R11-I101 PolarHBondContact NH2-O 3.28Å; R11-G102 PolarHBondContact NH1-O 3.07Å; R11-R104 PolarHBondContact N-O 2.75Å; R11-F106 HydrophobicContact CG-CD1 4.26Å; R11-F106 HydrophobicContact CG-CE1 3.67Å
12G59.4Low59.6Low67 Ų6794.8 Ų94.869%0.69156%0.556SS**SBendtrans50.170.5158.600000115.6E10E10-G12 PolarHBondContact O-N 3.37Å
13G41.5Very low59Low41 Ų4195.5 Ų95.542%0.42356%0.556SS.*  trans-164.9132.7173.400000111.7
14A39Very low57.8Low84 Ų84105.8 Ų105.869%0.69459%0.585SS**  trans-58.2140.1-178.600000112.4S16A14-S16 PolarHBondContact O-N 2.87Å; A14-S16 PolarHBondContact O-OG 3.43Å
15S38.3Very low56.4Low118 Ų118114.8 Ų114.883%0.82561%0.612SS**  trans-44.3110.4176.953.20000112.4
16S36.9Very low54.7Low92 Ų92123.5 Ų123.564%0.64363%0.631SS**  trans-113.4124.1172.9-640000109.1A14A14-S16 PolarHBondContact O-N 2.87Å; A14-S16 PolarHBondContact O-OG 3.43Å
17P44.1Very low52.8Low108 Ų108134.9 Ų134.970%0.70167%0.673SS**  trans-66157.1178.627.7-33.8000111.3E19P17-E19 PolarHBondContact O-N 3Å
18P42.9Very low51Low128 Ų128137.4 Ų137.483%0.83169%0.694SS**  trans-68.997-174.527.7-35.3000111.8R20P18-R20 PolarHBondContact O-N 3.34Å
19E40.2Very low48.9Very low180 Ų180137 Ų13784%0.84171%0.708SS**  trans-59.9120.7175.5-107.1-75.470.300110.9P17 R21P17-E19 PolarHBondContact O-N 3Å; E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.05Å
20R50.8Low46.6Very low218 Ų218139.9 Ų139.982%0.82374%0.743SS**  trans-78.781.6-166.5-168.6176.2-171.9-105.37.1109.8P18 S22P18-R20 PolarHBondContact O-N 3.34Å; R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.44Å; R20-S22 PolarHBondContact O-OG 2.73Å
21R45.7Very low44.4Very low224 Ų224141.3 Ų141.385%0.84577%0.773SS**  trans-54.288.7-172.9-167.8176.7-176.6-155.42.4113.1E19 K23E19-R21 VanDerWaalsContact C-N 3.34Å; E19-R21 PolarHBondContact O-N 3.05Å; R21-K23 PolarHBondContact O-N 2.81Å
22S48.7Very low42.7Very low100 Ų100141.7 Ų141.770%0.69980%0.8SS**  trans-71.399.3178.4-68.70000109.4R20 R24R20-S22 VanDerWaalsContact C-N 3.33Å; R20-S22 PolarHBondContact O-N 3.44Å; R20-S22 PolarHBondContact O-OG 2.73Å; S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 3.21Å
23K50.4Low41.5Very low177 Ų177143.6 Ų143.677%0.7781%0.81SS**  trans-65.187.7175-79.9178.4175.91710110.4R21 R25R21-K23 PolarHBondContact O-N 2.81Å; K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.77Å
24R45.6Very low41.1Very low249 Ų249153.4 Ų153.494%0.9483%0.834SS**  trans-59.690.9160.7-111.2-177.8175-114.83108.6S22 R26S22-R24 VanDerWaalsContact C-N 3.31Å; S22-R24 PolarHBondContact O-N 3.21Å; R24-R26 PolarHBondContact O-N 3.27Å
25R47.3Very low41.1Very low231 Ų231153.8 Ų153.887%0.87284%0.837SS**  trans-71.9125.1168.3-85.2-176168.1-100.63.8108.6K23K23-R25 VanDerWaalsContact C-N 3.3Å; K23-R25 PolarHBondContact O-N 2.77Å
26R45.3Very low41.5Very low248 Ų248154.4 Ų154.494%0.93684%0.838SS**  trans-64.5144.3171.8-67.5-178.5174.4-168.5-2.3109.4R24R24-R26 PolarHBondContact O-N 3.27Å
27R41Very low41.5Very low252 Ų252159.6 Ų159.695%0.95185%0.852SS**  trans-107.9110.7-177.4-162.7-177.1-166.4-150.45.4108.7
28S42.9Very low40.9Very low123 Ų123157.9 Ų157.986%0.8685%0.854SS**  trans-123.2133.7164.3-59.60000106.5
29G37.3Very low40.8Very low84 Ų84159.1 Ų159.187%0.86686%0.859SS**  trans-104.4-176.8-164.600000115.2
30G33Very low40.7Very low81 Ų81162.4 Ų162.484%0.83586%0.863SS**  trans143.9132.8166.900000114
31G33.2Very low40.1Very low88 Ų88156.5 Ų156.591%0.90786%0.861SS**  trans88.9135.7166.100000115.9
32G32.6Very low40.2Very low82 Ų82152.3 Ų152.385%0.84586%0.863SS**  trans-139.3173.1178.800000113.2
33A34.3Very low39.8Very low108 Ų108152.5 Ų152.589%0.89387%0.871SS**  trans-161170166.500000110.3
34R33.4Very low39.2Very low247 Ų247149 Ų14993%0.93288%0.875SS**  trans-98.3171.4-159.7-65.316266.4-139.87.1115.2
35A38.7Very low38.8Very low92 Ų92140.9 Ų140.976%0.7687%0.869SS**  trans91.6160.915400000117.9
36P47.3Very low38.7Very low131 Ų131139 Ų13985%0.85187%0.87SS**  -128.1-166-58.338.4-24.9000113
37E37.7Very low38.8Very low201 Ų201132.8 Ų132.894%0.93986%0.862SS**  trans-64.8155.5-169-60.3-179.974.200117.1
38G31.1Very low38.6Very low71 Ų71132 Ų13273%0.73286%0.859SS**  trans174.796.3166.600000117.2
39V39.9Very low38.4Very low154 Ų154130.2 Ų130.293%0.93385%0.851SS**  trans67.2130152.1-179.10000120.1
40R37.5Very low38.5Very low249 Ų249132.1 Ų132.194%0.9485%0.846SS**  trans-83.1149.9176.3-63.7159.685.8-172.28.7112.2
41A39.9Very low38.8Very low94 Ų94138.3 Ų138.378%0.77785%0.85SS**  trans-131.8146156.100000109.9
42P47.9Very low38.7Very low136 Ų136137.6 Ų137.688%0.88384%0.843SS**  trans-87.9169.1-170.535-36000114.6
43A38.8Very low39.1Very low105 Ų105138.6 Ų138.687%0.86884%0.844SS**  trans-93.6153.9-168.600000115.2
44A39.2Very low40Very low104 Ų104139.5 Ų139.586%0.8684%0.84SS**  trans-131.9150.2155.200000107.3
45G36Very low40.5Very low78 Ų78135.8 Ų135.880%0.80484%0.838SS**  cis138.974.711.500000110
46Q46Very low41.7Very low190 Ų190137 Ų13789%0.88884%0.838SS**  trans-115.3160.2169.2-71.1-171.614.500108.1
47P46.7Very low41.8Very low119 Ų119137 Ų13777%0.77384%0.838SS**  cis-126.5-149.531.532.3-7.2000111.8
48R36.2Very low41.6Very low234 Ų234130.7 Ų130.788%0.88383%0.827SS**  cis-159.5173.612.8-163.4158.1168.2-103.17.1111.4
49A38.8Very low42.2Very low86 Ų86134 Ų13471%0.71183%0.834SS**  trans-111.8157.2-178.400000115.4
50T40.5Very low42.7Very low124 Ų124132.3 Ų132.376%0.76183%0.825SS**  trans-147.9128.216146.50000107.9
51K38.3Very low43.5Very low211 Ų211125.6 Ų125.692%0.91781%0.814SS**  51.312777.4-61.7-169.9178.1-169.20113.4
52G31.5Very low43.5Very low74 Ų74127 Ų12776%0.76382%0.816SS**  cis156.8154.2-800000113
53A42.3Very low43.3Very low103 Ų103125.4 Ų125.485%0.85181%0.808SS**  trans71.3169168.400000118.9
54P51.8Low43.7Very low127 Ų127126.5 Ų126.583%0.82581%0.806SS**  cis-130.2176.1-23.525.4-2.7000115.5
55L45.2Very low43.7Very low168 Ų168130 Ų13088%0.8881%0.807SS**  trans-102.2151.7167.7-77.3158.5000111.8
56P62.7Low44Very low118 Ų118131.5 Ų131.577%0.76681%0.805SS**  trans-91.3167.717136.3-33.7000114.1
57P49.8Very low43.5Very low131 Ų131128.6 Ų128.685%0.85181%0.805SS**  trans-126.3170.9-157.142.3-28.6000117.6
58G33.6Very low43.2Very low69 Ų69127 Ų12771%0.71180%0.802SS**  trans94.3156.1156.400000116.8
59T44.2Very low43.8Very low141 Ų141122.9 Ų122.987%0.86580%0.796SS**  cis-164.3173.5-9.56.70000108.2
60P49.8Very low44.1Very low117 Ų117127 Ų12776%0.7680%0.801SS**  trans-107.9-145-147.242.9-35.4000116.9
61P53.5Low44.4Very low108 Ų108132 Ų13270%0.70181%0.805SS**  -105.7-171.4-117.942.2-26.2000114.3
62P40.3Very low44.4Very low125 Ų125131.8 Ų131.881%0.81281%0.805SS**  -142.4150.8120.337.2-24.8000115.6
63S44.6Very low45.2Very low102 Ų102133.8 Ų133.871%0.71381%0.807SS**  trans-82.6164.7158.8-50.50000110.4
64P47.8Very low45.2Very low128 Ų128136.9 Ų136.983%0.83181%0.808SS**  -142.5169.1112.636.2-22.6000115.8
65M39.1Very low44.9Very low177 Ų177136.8 Ų136.887%0.87280%0.801SS**  trans-121.5159.2171.2-54.3-179.6-172.700108
66S40.4Very low44.8Very low109 Ų109133.3 Ų133.376%0.76279%0.788SS**  cis-160.9158.3-5.5-125.20000109.1
67S36.2Very low44Very low129 Ų129131.6 Ų131.690%0.90278%0.779SS**  trans-159.7151.5160-83.50000112.1
68A41.8Very low43.8Very low86 Ų86133.4 Ų133.471%0.71178%0.776SS**  trans-118.4174.2-162.300000113.3
69I48.6Very low44.2Very low148 Ų148137.9 Ų137.976%0.75978%0.779SS**  trans80.2107.9163.9-50.5152.2000115
70E43.3Very low44.3Very low171 Ų171137.3 Ų137.380%0.79978%0.777SS**  -160.614699.1-161.661.597.800110.7
71R47.3Very low44.1Very low229 Ų229136.3 Ų136.386%0.86477%0.769SS**  trans-84.9134.9-178.3-68.5172.3170.1178.1-4.3112.1
72K38Very low43.8Very low208 Ų208137.1 Ų137.190%0.90477%0.767SS**  trans-155115.1143.1-114.1155.1-174.7174.30111.6
73S49.4Very low44.3Very low115 Ų115140.1 Ų140.180%0.80477%0.77SS**  trans-62.8143.3172.1-38.80000110.8
74L42.1Very low44.7Very low168 Ų168138.9 Ų138.988%0.8876%0.759SS**  trans-177.6100.7139.1-97.9160.7000107.7
75D44.4Very low45.1Very low125 Ų125138.4 Ų138.467%0.66875%0.748SS**  trans-70.8134.6154.6-169.1-116.4000106.5S77D75-S77 WeakPolarHBondContact OD1-CB 3.43Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-N 2.88Å
76P43.6Very low45.8Very low95 Ų95137.3 Ų137.362%0.61774%0.741SS**  -132112.786.417.14.4000114E78P76-E78 VanDerWaalsContact C-N 3.34Å; P76-E78 PolarHBondContact O-N 3.43Å
77S46Very low46.7Very low83 Ų83134.7 Ų134.758%0.5872%0.718SS**  25.657.6111.443.80000119.2D75D75-S77 WeakPolarHBondContact OD1-CB 3.43Å; D75-S77 PolarHBondContact OD1-OG 3.29Å; D75-S77 PolarHBondContact OD2-N 2.88Å
78E46.5Very low47.8Very low169 Ų169131.2 Ų131.279%0.7969%0.693SS**  trans-124.454.3168.9-65-69.1148.400111.6P76P76-E78 VanDerWaalsContact C-N 3.34Å; P76-E78 PolarHBondContact O-N 3.43Å
79E41.2Very low48.5Very low163 Ų163131.3 Ų131.376%0.76269%0.686SS**  trans-69.9132.8154.9-67.6-80.4117.100107.4V81E79-V81 VanDerWaalsContact C-N 3.31Å; E79-V81 PolarHBondContact O-N 3.05Å
80P46.8Very low49.2Very low128 Ų128128.3 Ų128.383%0.83168%0.678SS**  trans-71.786.3-178.929.3-34.6000110.6
81V46.2Very low50.4Low97 Ų97125.9 Ų125.959%0.58867%0.67SS**  trans-63.6132.7175-68.40000110.3E79 E83E79-V81 VanDerWaalsContact C-N 3.31Å; E79-V81 PolarHBondContact O-N 3.05Å; V81-E83 PolarHBondContact O-N 2.96Å
82D46.5Very low52.1Low124 Ų124115.1 Ų115.166%0.66363%0.63SS**  trans-48.1107177.6-88.5-85.9000111.9V84 L85D82-V84 PolarHBondContact O-N 3.4Å; D82-L85 HydrophobicContact CB-CD1 4.44Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-L85 VanDerWaalsContact O-N 3.1Å
83E50.3Low54.5Low188 Ų188107.6 Ų107.688%0.87960%0.601SS**THydrogen-bonded Turntrans-55.9-2.9-177.3-82.8-174.88100115.2V81V81-E83 PolarHBondContact O-N 2.96Å
84V53.2Low56.5Low77 Ų77102.1 Ų102.147%0.46756%0.563SS.*THydrogen-bonded Turntrans-89.1-19-179.5-172.40000112.4L9 D82L9-V84 HydrophobicContact CD2-CG1 3.84Å; L9-V84 HydrophobicContact CG-CG1 4.41Å; D82-V84 PolarHBondContact O-N 3.4Å
85L55.4Low58.7Low117 Ų11795.2 Ų95.261%0.61353%0.532SS*.SBendtrans-95.3-7.3-168.5-67178.6000116.2D82D82-L85 HydrophobicContact CB-CD1 4.44Å; D82-L85 PolarHBondContact O-N 2.94Å; D82-L85 VanDerWaalsContact O-N 3.1Å
86Q54.2Low60.8Low155 Ų15591.5 Ų91.572%0.72452%0.524SS*.  trans-117.319.1-173.6-80.5175.1-29.200115.3P88Q86-P88 VanDerWaalsContact O-CD 3.23Å; Q86-P88 WeakPolarHBondContact O-CD 3.28Å
87I59.3Low63.1Low53 Ų5389.2 Ų89.227%0.27251%0.509SS..  trans-77.7113.1170.5-50.4168.1000108.3L91 L92 Y113I87-L91 HydrophobicContact CG2-CB 4.21Å; I87-L92 HydrophobicContact CB-CD1 3.87Å; I87-L92 HydrophobicContact CG2-CD1 3.48Å; I87-L92 VanDerWaalsContact CG2-CD1 3.48Å; I87-L92 HydrophobicContact CG2-CG 3.96Å; I87-Y113 HydrophobicContact CD1-CE2 4.46Å; I87-Y113 VanDerWaalsContact CD1-OH 3.22Å; I87-Y113 WeakPolarHBondContact CD1-OH 3.44Å
88P59.1Low65.2Low57 Ų5792.1 Ų92.137%0.3751%0.514SS..  trans-64.1142.3-179.727-34.9000110.4Q86 S90 L91Q86-P88 VanDerWaalsContact O-CD 3.23Å; Q86-P88 WeakPolarHBondContact O-CD 3.28Å; P88-S90 PolarHBondContact O-N 2.91Å; P88-L91 HydrophobicContact CG-CB 4.38Å; P88-L91 HydrophobicContact CG-CD1 3.72Å; P88-L91 HydrophobicContact CG-CG 3.94Å; P88-L91 PolarHBondContact O-N 3.43Å
89P58.1Low67.2Low88 Ų8890.1 Ų90.157%0.57150%0.504SS*.THydrogen-bonded Turntrans-62-18-173.223.3-33.8000114.1L91 N100P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.85Å; P89-N100 PolarHBondContact O-ND2 2.89Å
90S62.4Low69.5Low85 Ų8586.8 Ų86.859%0.59449%0.492SS*.THydrogen-bonded Turntrans-66.3-20.2170.445.10000114.4P88 N100P88-S90 PolarHBondContact O-N 2.91Å; S90-N100 PolarHBondContact O-ND2 3.14Å
91L67.9Low71.5Confident119 Ų11980.9 Ų80.962%0.62345%0.453SS*.THydrogen-bonded Turntrans-102.1-11179.7-65.5-178.6000114.4I87 P88 P89 T93I87-L91 HydrophobicContact CG2-CB 4.21Å; P88-L91 HydrophobicContact CG-CB 4.38Å; P88-L91 HydrophobicContact CG-CD1 3.72Å; P88-L91 HydrophobicContact CG-CG 3.94Å; P88-L91 PolarHBondContact O-N 3.43Å; P89-L91 VanDerWaalsContact C-N 3.26Å; P89-L91 PolarHBondContact O-N 2.85Å; L91-T93 VanDerWaalsContact C-N 3.34Å; L91-T93 PolarHBondContact O-N 2.95Å
92L83.5Confident73.3Confident4 Ų479.2 Ų79.22%0.02146%0.455CS..  trans-82.979.8173.3-73.1105.6000110.7I87 N100 I101 F106 Y113I87-L92 HydrophobicContact CB-CD1 3.87Å; I87-L92 HydrophobicContact CG2-CD1 3.48Å; I87-L92 VanDerWaalsContact CG2-CD1 3.48Å; I87-L92 HydrophobicContact CG2-CG 3.96Å; L92-N100 WeakPolarHBondContact O-CA 3.34Å; L92-I101 HydrophobicContact CB-CB 4.21Å; L92-I101 HydrophobicContact CB-CD1 4.48Å; L92-I101 PolarHBondContact O-N 2.88Å; L92-F106 HydrophobicContact CD2-CD2 4Å; L92-F106 HydrophobicContact CD2-CE1 4.32Å; L92-F106 HydrophobicContact CD2-CE2 3.43Å; L92-F106 VanDerWaalsContact CD2-CE2 3.43Å; L92-F106 HydrophobicContact CD2-CZ 3.62Å; L92-Y113 HydrophobicContact CD2-CD1 4.36Å; L92-Y113 HydrophobicContact CD2-CG 4.31Å
93T89.4Confident75.1Confident49 Ų4976.9 Ų76.930%0.30144%0.443SS..BIsolated β-bridgetrans-93.5133.1173.6-54.80000110.5L91 G95 Q98L91-T93 VanDerWaalsContact C-N 3.34Å; L91-T93 PolarHBondContact O-N 2.95Å; T93-G95 PolarHBondContact O-N 2.86Å; T93-Q98 HydrophobicContact CG2-CG 4.27Å; T93-Q98 WeakPolarHBondContact CG2-O 3.4Å
94C91Very high76.7Confident0 Ų074.1 Ų74.10%043%0.425CS..BIsolated β-bridgetrans-72.7120.9176.9178.40000111.3G96 C97 Q98 Q99 I101 Y113 C118C94-G96 PolarHBondContact O-N 2.93Å; C94-G96 PolarHBondContact SG-N 2.91Å; C94-C97 VanDerWaalsContact SG-SG 3.67Å; C94-Q98 VanDerWaalsContact O-CA 3.28Å; C94-Q98 WeakPolarHBondContact O-CA 3.5Å; C94-Q98 PolarHBondContact O-N 3.07Å; C94-Q99 WeakPolarHBondContact CB-O 3.43Å; C94-Q99 PolarHBondContact N-O 3.48Å; C94-I101 HydrophobicContact CB-CD1 4.29Å; C94-I101 HydrophobicContact CB-CG1 3.93Å; C94-Y113 WeakPolarHBondContact CA-O 3.42Å; C94-C118 WeakPolarHBondContact SG-CB 3.37Å
95G88.1Confident78.2Confident24 Ų2475.1 Ų75.125%0.24742%0.421CS..THydrogen-bonded Turntrans-64.9-5.5178.100000115.7T93 Y113T93-G95 PolarHBondContact O-N 2.86Å; G95-Y113 PolarHBondContact N-O 2.98Å
96G88.6Confident79.8Confident47 Ų4769.9 Ų69.949%0.48539%0.393SS..THydrogen-bonded Turntrans-103.1-39.3179.200000115C94 W114C94-G96 PolarHBondContact O-N 2.93Å; C94-G96 PolarHBondContact SG-N 2.91Å; G96-W114 VanDerWaalsContact N-CZ3 3.3Å
97C91.1Very high81.5Confident46 Ų4662.7 Ų62.731%0.31136%0.359SS..THydrogen-bonded Turntrans-117.5-0.4-178.665.50000114.2C94 Q99 H115C94-C97 VanDerWaalsContact SG-SG 3.67Å; C97-Q99 PolarHBondContact O-N 3.02Å; C97-H115 PolarHBondContact SG-CE1 2.85Å; C97-H115 PolarHBondContact SG-ND1 3.26Å
98Q90.3Very high82.8Confident145 Ų14563.6 Ų63.668%0.67836%0.361SS*.  trans58.513.4-178.5-140.365.729.900116T93 C94T93-Q98 HydrophobicContact CG2-CG 4.27Å; T93-Q98 WeakPolarHBondContact CG2-O 3.4Å; C94-Q98 VanDerWaalsContact O-CA 3.28Å; C94-Q98 WeakPolarHBondContact O-CA 3.5Å; C94-Q98 PolarHBondContact O-N 3.07Å
99Q89.6Confident84.1Confident126 Ų12661 Ų6159%0.58935%0.345SS*.SBendtrans-93.6155.6176.8-66.8170.5-1400111.3C94 C97 I101C94-Q99 WeakPolarHBondContact CB-O 3.43Å; C94-Q99 PolarHBondContact N-O 3.48Å; C97-Q99 PolarHBondContact O-N 3.02Å; Q99-I101 PolarHBondContact O-N 3.24Å
100N89.7Confident85.5Confident94 Ų9458.7 Ų58.750%0.50333%0.327SS..BIsolated β-bridgetrans-64.3132.1171.6-68.989.5000110.8P89 S90 L92 G102P89-N100 PolarHBondContact O-ND2 2.89Å; S90-N100 PolarHBondContact O-ND2 3.14Å; L92-N100 WeakPolarHBondContact O-CA 3.34Å; N100-G102 PolarHBondContact O-N 2.75Å
101I87.8Confident86.5Confident3 Ų361.4 Ų61.42%0.01534%0.335CS..  trans-72.8112.9174.9-60.6171.2000107.6R11 L92 C94 Q99 D103 F106 Y113 H115R11-I101 PolarHBondContact NH1-O 3.29Å; R11-I101 PolarHBondContact NH2-O 3.28Å; L92-I101 HydrophobicContact CB-CB 4.21Å; L92-I101 HydrophobicContact CB-CD1 4.48Å; L92-I101 PolarHBondContact O-N 2.88Å; C94-I101 HydrophobicContact CB-CD1 4.29Å; C94-I101 HydrophobicContact CB-CG1 3.93Å; Q99-I101 PolarHBondContact O-N 3.24Å; I101-D103 HydrophobicContact CG2-CB 4.4Å; I101-F106 HydrophobicContact CG2-CB 3.77Å; I101-F106 HydrophobicContact CG2-CG 4.18Å; I101-Y113 VanDerWaalsContact CD1-CB 3.46Å; I101-H115 WeakPolarHBondContact CA-NE2 3.4Å
102G83.5Confident87.5Confident62 Ų6260.2 Ų60.264%0.63933%0.326SS*.  trans-87.9-19.9173.700000113.5R11 N100R11-G102 PolarHBondContact NH1-O 3.07Å; N100-G102 PolarHBondContact O-N 2.75Å
103D84Confident87.8Confident75 Ų7562.1 Ų62.140%0.40133%0.334SS..  trans-69.5155.1-161.6-59.2-41.9000114.8I101 Y105 H115I101-D103 HydrophobicContact CG2-CB 4.4Å; D103-Y105 VanDerWaalsContact CB-O 3.3Å; D103-Y105 WeakPolarHBondContact CB-O 3.42Å; D103-H115 IonicContact OD2-CD2 3.26Å; D103-H115 PolarHBondContact OD2-CD2 3.46Å; D103-H115 IonicContact OD2-CG 2.75Å; D103-H115 IonicContact OD2-NE2 3.97Å
104R85.1Confident87.9Confident131 Ų13160.6 Ų60.649%0.49432%0.322SS..SBendtrans-68.3-41.9171.1174.7176.9168.21553.3111.7E10 R11E10-R104 CarbonylContact C-O 3.59Å; E10-R104 WeakPolarHBondContact CA-O 3.4Å; E10-R104 IonicContact OE1-CZ 3.49Å; E10-R104 VanDerWaalsContact OE1-CZ 3.26Å; E10-R104 IonicContact OE1-NE 3.69Å; E10-R104 PolarHBondContact OE1-NE 2.79Å; E10-R104 IonicContact OE1-NH2 2.72Å; E10-R104 PolarHBondContact OE1-NH2 2.94Å; R11-R104 PolarHBondContact N-O 2.75Å
105Y85.2Confident87.8Confident97 Ų9761.7 Ų61.738%0.3833%0.327SS..EExtended strand (participates in β ladder)trans-111133.4178.7-62.1-95.4000108.6V8 L9 E10 D103V8-Y105 HydrophobicContact CG1-CD1 4.27Å; L9-Y105 WeakPolarHBondContact O-CA 3.39Å; E10-Y105 HydrophobicContact CG-CD1 3.39Å; E10-Y105 HydrophobicContact CG-CE1 3.26Å; E10-Y105 HydrophobicContact CG-CG 4.24Å; E10-Y105 WeakPolarHBondContact OE1-CE1 3.22Å; E10-Y105 VanDerWaalsContact OE1-CZ 3.29Å; E10-Y105 PolarHBondContact OE1-OH 3.1Å; D103-Y105 VanDerWaalsContact CB-O 3.3Å; D103-Y105 WeakPolarHBondContact CB-O 3.42Å
106F88.3Confident87.8Confident7 Ų764.2 Ų64.23%0.03133%0.333CS..EExtended strand (participates in β ladder)trans-148.8165.3177.861.7-79.9000110.3L9 R11 L92 I101 Y113L9-F106 HydrophobicContact CB-CD1 4.32Å; L9-F106 HydrophobicContact CB-CD2 4.19Å; L9-F106 HydrophobicContact CB-CE1 3.83Å; L9-F106 HydrophobicContact CB-CE2 3.71Å; L9-F106 HydrophobicContact CB-CG 4.48Å; L9-F106 HydrophobicContact CB-CZ 3.51Å; L9-F106 HydrophobicContact CD2-CE2 3.71Å; L9-F106 HydrophobicContact CD2-CZ 3.83Å; L9-F106 HydrophobicContact CG-CE2 4.29Å; L9-F106 HydrophobicContact CG-CZ 4.33Å; L9-F106 PolarHBondContact N-O 2.86Å; L9-F106 PolarHBondContact O-N 3.05Å; R11-F106 HydrophobicContact CG-CD1 4.26Å; R11-F106 HydrophobicContact CG-CE1 3.67Å; L92-F106 HydrophobicContact CD2-CD2 4Å; L92-F106 HydrophobicContact CD2-CE1 4.32Å; L92-F106 HydrophobicContact CD2-CE2 3.43Å; L92-F106 VanDerWaalsContact CD2-CE2 3.43Å; L92-F106 HydrophobicContact CD2-CZ 3.62Å; I101-F106 HydrophobicContact CG2-CB 3.77Å; I101-F106 HydrophobicContact CG2-CG 4.18Å; F106-Y113 AromaticContact CD2-CD1 3.86Å; F106-Y113 HydrophobicContact CD2-CD1 3.86Å; F106-Y113 AromaticContact CE2-CD1 3.56Å; F106-Y113 HydrophobicContact CE2-CD1 3.56Å; F106-Y113 AromaticContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CG 4.46Å
107L89.3Confident87.8Confident4 Ų466.9 Ų66.92%0.02134%0.336CS..EExtended strand (participates in β ladder)trans-109.4134.4-173.9-54.7-179.8000110.6V6 T7 V8 Y113 W114 L119V6-L107 HydrophobicContact CG1-CB 4.16Å; V6-L107 HydrophobicContact CG1-CD1 4.22Å; V6-L107 HydrophobicContact CG1-CD2 4.09Å; V6-L107 HydrophobicContact CG1-CG 4.39Å; T7-L107 WeakPolarHBondContact O-CA 3.3Å; V8-L107 HydrophobicContact CB-CD2 4.31Å; V8-L107 HydrophobicContact CG1-CD2 4.45Å; V8-L107 HydrophobicContact CG2-CD2 3.77Å; L107-Y113 CarbonylContact O-C 3.6Å; L107-Y113 WeakPolarHBondContact O-CA 3.35Å; L107-W114 HydrophobicContact CB-CB 4.41Å; L107-W114 PolarHBondContact N-O 3.03Å; L107-W114 PolarHBondContact O-N 3.2Å; L107-L119 HydrophobicContact CB-CD2 4.23Å; L107-L119 HydrophobicContact CD1-CB 3.96Å; L107-L119 HydrophobicContact CD1-CD2 3.7Å; L107-L119 HydrophobicContact CD1-CG 4.48Å
108K87.3Confident87.8Confident72 Ų7266.1 Ų66.131%0.31333%0.331SS..EExtended strand (participates in β ladder)trans-102.7128.4165-171.3-178.6-179.71790109.2T7 L9 Q112 Y113T7-K108 PolarHBondContact N-O 3.03Å; T7-K108 VanDerWaalsContact N-O 3.14Å; T7-K108 PolarHBondContact O-N 3.06Å; L9-K108 HydrophobicContact CD1-CB 3.67Å; L9-K108 HydrophobicContact CD2-CB 4.5Å; K108-Q112 WeakPolarHBondContact CA-O 3.41Å; K108-Y113 HydrophobicContact CB-CD1 4.07Å; K108-Y113 HydrophobicContact CB-CE1 4.04Å; K108-Y113 HydrophobicContact CD-CE1 3.86Å; K108-Y113 HydrophobicContact CG-CD1 4.15Å; K108-Y113 HydrophobicContact CG-CE1 3.88Å
109A87.2Confident87.8Confident3 Ų359.2 Ų59.23%0.02530%0.299CS..EExtended strand (participates in β ladder)trans-160.2133.1-173.300000110.6D111 Q112 W114 L119 L135A109-D111 PolarHBondContact O-N 2.95Å; A109-Q112 PolarHBondContact N-O 3.05Å; A109-Q112 PolarHBondContact O-N 2.75Å; A109-Q112 VanDerWaalsContact O-O 3.07Å; A109-W114 PolarHBondContact O-NE1 3.49Å; A109-L119 HydrophobicContact CB-CD1 4.04Å; A109-L119 HydrophobicContact CB-CD2 3.97Å; A109-L135 HydrophobicContact CB-CD2 3.45Å; A109-L135 VanDerWaalsContact CB-CD2 3.45Å
110I86.3Confident87.9Confident39 Ų3954.9 Ų54.920%0.228%0.282CS..THydrogen-bonded Turntrans53.345.1-179.5-38.1158.1000110.9Q112 L135 Y137I110-Q112 PolarHBondContact O-N 3.02Å; I110-L135 HydrophobicContact CD1-CD1 3.7Å; I110-L135 HydrophobicContact CG1-CD1 3.68Å; I110-L135 HydrophobicContact CG1-CD2 4.23Å; I110-Y137 HydrophobicContact CD1-CD2 3.4Å; I110-Y137 VanDerWaalsContact CD1-CD2 3.4Å; I110-Y137 HydrophobicContact CD1-CE2 3.92Å; I110-Y137 HydrophobicContact CD1-CG 3.74Å; I110-Y137 HydrophobicContact CG1-CD2 4.43Å; I110-Y137 HydrophobicContact CG1-CG 4.31Å; I110-Y137 HydrophobicContact CG2-CD1 4.18Å; I110-Y137 HydrophobicContact CG2-CE1 4.42Å; I110-Y137 HydrophobicContact CG2-CG 4.37Å
111D84.6Confident88Confident142 Ų14250.5 Ų50.576%0.75926%0.259SS*.THydrogen-bonded Turntrans54.215.8-176.2-61.1-63.9000116.3A109A109-D111 PolarHBondContact O-N 2.95Å
112Q88.1Confident88.2Confident95 Ų9553.7 Ų53.744%0.44428%0.276SS..EExtended strand (participates in β ladder)trans-120.1162.8175.6-66.1-178.828.100111.5K108 A109 I110 W114K108-Q112 WeakPolarHBondContact CA-O 3.41Å; A109-Q112 PolarHBondContact N-O 3.05Å; A109-Q112 PolarHBondContact O-N 2.75Å; A109-Q112 VanDerWaalsContact O-O 3.07Å; I110-Q112 PolarHBondContact O-N 3.02Å; Q112-W114 HydrophobicContact CB-CZ2 4.21Å; Q112-W114 VanDerWaalsContact O-CD1 3.32Å; Q112-W114 PolarHBondContact O-NE1 3.38Å
113Y88.9Confident88.5Confident44 Ų4454.9 Ų54.917%0.17327%0.267CS..EExtended strand (participates in β ladder)trans-101.7146.5175.9-58.4-74.8000111L9 I87 L92 C94 G95 I101 F106 L107 K108L9-Y113 HydrophobicContact CD2-CE1 4.21Å; I87-Y113 HydrophobicContact CD1-CE2 4.46Å; I87-Y113 VanDerWaalsContact CD1-OH 3.22Å; I87-Y113 WeakPolarHBondContact CD1-OH 3.44Å; L92-Y113 HydrophobicContact CD2-CD1 4.36Å; L92-Y113 HydrophobicContact CD2-CG 4.31Å; C94-Y113 WeakPolarHBondContact CA-O 3.42Å; G95-Y113 PolarHBondContact N-O 2.98Å; I101-Y113 VanDerWaalsContact CD1-CB 3.46Å; F106-Y113 AromaticContact CD2-CD1 3.86Å; F106-Y113 HydrophobicContact CD2-CD1 3.86Å; F106-Y113 AromaticContact CE2-CD1 3.56Å; F106-Y113 HydrophobicContact CE2-CD1 3.56Å; F106-Y113 AromaticContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CE1 3.89Å; F106-Y113 HydrophobicContact CE2-CG 4.46Å; L107-Y113 CarbonylContact O-C 3.6Å; L107-Y113 WeakPolarHBondContact O-CA 3.35Å; K108-Y113 HydrophobicContact CB-CD1 4.07Å; K108-Y113 HydrophobicContact CB-CE1 4.04Å; K108-Y113 HydrophobicContact CD-CE1 3.86Å; K108-Y113 HydrophobicContact CG-CD1 4.15Å; K108-Y113 HydrophobicContact CG-CE1 3.88Å
114W91.1Very high88.8Confident16 Ų1653.5 Ų53.56%0.06126%0.263CS..EExtended strand (participates in β ladder)trans-145.2144.4-173.4-52.278.6000111.1G96 L107 A109 Q112 L119 K142G96-W114 VanDerWaalsContact N-CZ3 3.3Å; L107-W114 HydrophobicContact CB-CB 4.41Å; L107-W114 PolarHBondContact N-O 3.03Å; L107-W114 PolarHBondContact O-N 3.2Å; A109-W114 PolarHBondContact O-NE1 3.49Å; Q112-W114 HydrophobicContact CB-CZ2 4.21Å; Q112-W114 VanDerWaalsContact O-CD1 3.32Å; Q112-W114 PolarHBondContact O-NE1 3.38Å; W114-L119 HydrophobicContact CB-CB 3.95Å; W114-L119 HydrophobicContact CB-CD1 4.28Å; W114-L119 HydrophobicContact CD2-CD1 3.58Å; W114-L119 HydrophobicContact CE3-CD1 3.97Å; W114-L119 HydrophobicContact CG-CB 4.29Å; W114-L119 HydrophobicContact CG-CD1 3.69Å; W114-L119 HydrophobicContact CG-CG 4.46Å; W114-K142 HydrophobicContact CH2-CD 4.38Å; W114-K142 HydrophobicContact CZ3-CD 4.29Å
115H90.8Very high89Confident23 Ų2349.6 Ų49.611%0.10626%0.264CS..  trans-65.3154.9161.1-54.3129000110.5C97 I101 D103 D117 C118 L119C97-H115 PolarHBondContact SG-CE1 2.85Å; C97-H115 PolarHBondContact SG-ND1 3.26Å; I101-H115 WeakPolarHBondContact CA-NE2 3.4Å; D103-H115 IonicContact OD2-CD2 3.26Å; D103-H115 PolarHBondContact OD2-CD2 3.46Å; D103-H115 IonicContact OD2-CG 2.75Å; D103-H115 IonicContact OD2-NE2 3.97Å; H115-D117 PolarHBondContact O-N 3.48Å; H115-C118 HydrophobicContact CB-CB 4.02Å; H115-C118 PolarHBondContact ND1-SG 3.01Å; H115-C118 VanDerWaalsContact ND1-SG 3.38Å; H115-C118 PolarHBondContact O-N 2.89Å; H115-C118 VanDerWaalsContact O-N 3.15Å; H115-L119 PolarHBondContact O-N 2.82Å
116E87.8Confident89.2Confident78 Ų7846.7 Ų46.736%0.36426%0.257SS..THydrogen-bonded Turntrans-56.1-38.3175.3-57.9-169.9145.800112.3R127E116-R127 IonicContact OE2-NH1 3.69Å
117D88.8Confident89.3Confident103 Ų10349.7 Ų49.755%0.55127%0.268SS*.THydrogen-bonded Turntrans-74.8-35177.5-67.270.7000113.8H115 R127H115-D117 PolarHBondContact O-N 3.48Å; D117-R127 IonicContact OD1-CZ 2.69Å; D117-R127 IonicContact OD1-NH2 3.9Å; D117-R127 PolarHBondContact OD1-NH2 3.27Å; D117-R127 IonicContact OD2-CZ 3.99Å; D117-R127 IonicContact OD2-NE 3.67Å; D117-R127 IonicContact OD2-NH2 3.94Å; D117-R127 PolarHBondContact OD2-NH2 3.16Å
118C90.8Very high89.3Confident30 Ų3049.6 Ų49.620%0.20327%0.268CS..THydrogen-bonded Turntrans-78.8-24.3-175.2-66.20000113C94 H115 S120C94-C118 WeakPolarHBondContact SG-CB 3.37Å; H115-C118 HydrophobicContact CB-CB 4.02Å; H115-C118 PolarHBondContact ND1-SG 3.01Å; H115-C118 VanDerWaalsContact ND1-SG 3.38Å; H115-C118 PolarHBondContact O-N 2.89Å; H115-C118 VanDerWaalsContact O-N 3.15Å; C118-S120 PolarHBondContact O-N 2.77Å
119L90.3Very high89Confident0 Ų047.4 Ų47.40%027%0.266CS..  trans-83.665.5175.4-164.173.5000111.3V6 L107 A109 W114 H115 L128 K142V6-L119 HydrophobicContact CG1-CD2 3.9Å; V6-L119 HydrophobicContact CG2-CD2 4.05Å; L107-L119 HydrophobicContact CB-CD2 4.23Å; L107-L119 HydrophobicContact CD1-CB 3.96Å; L107-L119 HydrophobicContact CD1-CD2 3.7Å; L107-L119 HydrophobicContact CD1-CG 4.48Å; A109-L119 HydrophobicContact CB-CD1 4.04Å; A109-L119 HydrophobicContact CB-CD2 3.97Å; W114-L119 HydrophobicContact CB-CB 3.95Å; W114-L119 HydrophobicContact CB-CD1 4.28Å; W114-L119 HydrophobicContact CD2-CD1 3.58Å; W114-L119 HydrophobicContact CE3-CD1 3.97Å; W114-L119 HydrophobicContact CG-CB 4.29Å; W114-L119 HydrophobicContact CG-CD1 3.69Å; W114-L119 HydrophobicContact CG-CG 4.46Å; H115-L119 PolarHBondContact O-N 2.82Å; L119-L128 HydrophobicContact CD2-CB 4.23Å; L119-L128 HydrophobicContact CG-CB 4.12Å; L119-L128 HydrophobicContact CG-CD1 4.28Å; L119-L128 WeakPolarHBondContact O-CB 3.4Å; L119-L128 PolarHBondContact O-N 3.43Å; L119-K142 HydrophobicContact CD1-CD 4.33Å
120S91.7Very high88.6Confident35 Ų3553.6 Ų53.625%0.24529%0.294CS..BIsolated β-bridgetrans-97.8159.4173.856.90000112.1C118 G125 K142C118-S120 PolarHBondContact O-N 2.77Å; S120-G125 WeakPolarHBondContact CB-O 3.31Å; S120-K142 WeakPolarHBondContact O-CD 3.49Å; S120-K142 WeakPolarHBondContact O-CE 3.42Å; S120-K142 WeakPolarHBondContact O-CG 3.29Å
121C92.1Very high87.9Confident2 Ų256.4 Ų56.41%0.01431%0.313CS..  trans-76.9135.1172175.20000111.3L123 C124 G125 C126 L128 K142 C144 D147C121-L123 PolarHBondContact O-N 2.69Å; C121-L123 PolarHBondContact SG-N 2.93Å; C121-C124 WeakPolarHBondContact CB-SG 3.09Å; C121-G125 VanDerWaalsContact O-CA 3.29Å; C121-G125 WeakPolarHBondContact O-CA 3.43Å; C121-G125 PolarHBondContact O-N 2.84Å; C121-C126 PolarHBondContact N-O 3.32Å; C121-L128 HydrophobicContact CB-CD2 3.99Å; C121-L128 HydrophobicContact CB-CG 4.34Å; C121-K142 WeakPolarHBondContact CA-O 3.34Å; C121-C144 HydrophobicContact CB-CB 4.24Å; C121-C144 PolarHBondContact SG-N 2.93Å; C121-D147 PolarHBondContact SG-OD2 3.1Å
122D91.6Very high87.1Confident69 Ų6951.1 Ų51.137%0.36929%0.292SS..THydrogen-bonded Turntrans-66.7-6.4-179-58.9-32000114.6R141 K142D122-R141 WeakPolarHBondContact OD2-CA 3.4Å; D122-R141 WeakPolarHBondContact OD2-CB 3.37Å; D122-K142 PolarHBondContact N-O 3.06Å; D122-K142 WeakPolarHBondContact OD1-CG 3.25Å; D122-K142 IonicContact OD1-NZ 2.89Å; D122-K142 PolarHBondContact OD1-NZ 3.44Å; D122-K142 WeakPolarHBondContact OD2-CG 3.39Å; D122-K142 PolarHBondContact OD2-N 3.29Å
123L90.1Very high86.2Confident88 Ų8856.7 Ų56.746%0.46131%0.309SS..THydrogen-bonded Turntrans-113.1-54.2178.1-76.2-179.7000113.9C121 L143 D147 L151C121-L123 PolarHBondContact O-N 2.69Å; C121-L123 PolarHBondContact SG-N 2.93Å; L123-L143 HydrophobicContact CB-CD2 4.38Å; L123-L143 HydrophobicContact CD1-CD2 3.92Å; L123-L143 HydrophobicContact CG-CD2 3.97Å; L123-D147 HydrophobicContact CB-CB 4.17Å; L123-D147 HydrophobicContact CD1-CB 3.93Å; L123-L151 HydrophobicContact CD1-CD1 3.71Å; L123-L151 HydrophobicContact CD1-CG 4.15Å
124C90.5Very high85.7Confident45 Ų4563.2 Ų63.230%0.30433%0.333SS..THydrogen-bonded Turntrans-84.5-12.9179.160.40000114.1C121 C126 D147C121-C124 WeakPolarHBondContact CB-SG 3.09Å; C124-C126 HydrophobicContact CB-CB 4.01Å; C124-C126 WeakPolarHBondContact CB-SG 3.32Å; C124-C126 PolarHBondContact O-N 3.15Å; C124-C126 WeakPolarHBondContact SG-CB 3.35Å; C124-C126 PolarHBondContact SG-N 2.99Å; C124-C126 CovalentContact SG-SG 2.05Å; C124-C126 PolarHBondContact SG-SG 3.22Å; C124-D147 WeakPolarHBondContact CB-OD2 3.47Å; C124-D147 PolarHBondContact N-OD2 3.32Å; C124-D147 PolarHBondContact SG-OD2 3.45Å
125G89.3Confident85.6Confident50 Ų5062.4 Ų62.452%0.51533%0.33SS..  trans64.81.4-166.600000114.4S120 C121S120-G125 WeakPolarHBondContact CB-O 3.31Å; C121-G125 VanDerWaalsContact O-CA 3.29Å; C121-G125 WeakPolarHBondContact O-CA 3.43Å; C121-G125 PolarHBondContact O-N 2.84Å
126C89.6Confident85.5Confident35 Ų3562.7 Ų62.724%0.23633%0.33CS..  trans-77.4136.4-17260.80000112.2C121 C124 L128 V131C121-C126 PolarHBondContact N-O 3.32Å; C124-C126 HydrophobicContact CB-CB 4.01Å; C124-C126 WeakPolarHBondContact CB-SG 3.32Å; C124-C126 PolarHBondContact O-N 3.15Å; C124-C126 WeakPolarHBondContact SG-CB 3.35Å; C124-C126 PolarHBondContact SG-N 2.99Å; C124-C126 CovalentContact SG-SG 2.05Å; C124-C126 PolarHBondContact SG-SG 3.22Å; C126-L128 PolarHBondContact O-N 3.34Å; C126-V131 HydrophobicContact CB-CG2 4.43Å
127R90.4Very high85.6Confident70 Ų7063.8 Ų63.826%0.26433%0.332SS..BIsolated β-bridgetrans-59114.4-177.3-75.5178.6163.7-137.9-3.2110.9E116 D117 E130 V131E116-R127 IonicContact OE2-NH1 3.69Å; D117-R127 IonicContact OD1-CZ 2.69Å; D117-R127 IonicContact OD1-NH2 3.9Å; D117-R127 PolarHBondContact OD1-NH2 3.27Å; D117-R127 IonicContact OD2-CZ 3.99Å; D117-R127 IonicContact OD2-NE 3.67Å; D117-R127 IonicContact OD2-NH2 3.94Å; D117-R127 PolarHBondContact OD2-NH2 3.16Å; R127-E130 HydrophobicContact CB-CB 4.32Å; R127-E130 HydrophobicContact CB-CG 4.36Å; R127-E130 VanDerWaalsContact CD-CD 3.42Å; R127-E130 WeakPolarHBondContact CD-OE1 3.38Å; R127-E130 IonicContact CZ-OE1 3.16Å; R127-E130 IonicContact NE-OE1 3.51Å; R127-E130 IonicContact NH1-OE1 3.27Å; R127-E130 PolarHBondContact NH1-OE1 2.7Å; R127-E130 PolarHBondContact O-N 3.43Å; R127-V131 WeakPolarHBondContact O-CG2 3.48Å; R127-V131 PolarHBondContact O-N 3.3Å; R127-V131 VanDerWaalsContact O-N 3.15Å
128L88.4Confident85.6Confident3 Ų362.7 Ų62.72%0.01632%0.322CS..Hα-helixtrans-71.1-32.6-176.9-66168.9000112L119 C121 C126 E130 G132 L135 K142 C144L119-L128 HydrophobicContact CD2-CB 4.23Å; L119-L128 HydrophobicContact CG-CB 4.12Å; L119-L128 HydrophobicContact CG-CD1 4.28Å; L119-L128 WeakPolarHBondContact O-CB 3.4Å; L119-L128 PolarHBondContact O-N 3.43Å; C121-L128 HydrophobicContact CB-CD2 3.99Å; C121-L128 HydrophobicContact CB-CG 4.34Å; C126-L128 PolarHBondContact O-N 3.34Å; L128-E130 VanDerWaalsContact C-N 3.27Å; L128-E130 PolarHBondContact O-N 3.15Å; L128-G132 PolarHBondContact O-N 2.75Å; L128-L135 HydrophobicContact CD1-CB 4.27Å; L128-K142 HydrophobicContact CD1-CB 4.13Å; L128-K142 HydrophobicContact CD1-CG 4.42Å; L128-C144 HydrophobicContact CD2-CB 3.71Å
129G80.5Confident85.4Confident26 Ų2668 Ų6827%0.26835%0.348SS..Hα-helixtrans-61.3-31.9176.200000114.2
130E79Confident85.2Confident133 Ų13370.5 Ų70.562%0.62137%0.374SS*.Hα-helixtrans-91.5-45.8-178.5-68.5176-167.100113R127 L128 G132R127-E130 HydrophobicContact CB-CB 4.32Å; R127-E130 HydrophobicContact CB-CG 4.36Å; R127-E130 VanDerWaalsContact CD-CD 3.42Å; R127-E130 WeakPolarHBondContact CD-OE1 3.38Å; R127-E130 IonicContact CZ-OE1 3.16Å; R127-E130 IonicContact NE-OE1 3.51Å; R127-E130 IonicContact NH1-OE1 3.27Å; R127-E130 PolarHBondContact NH1-OE1 2.7Å; R127-E130 PolarHBondContact O-N 3.43Å; L128-E130 VanDerWaalsContact C-N 3.27Å; L128-E130 PolarHBondContact O-N 3.15Å; E130-G132 PolarHBondContact O-N 2.72Å
131V71.4Confident85Confident98 Ų9875.3 Ų75.359%0.59439%0.386SS*.Hα-helixtrans-71.5-20.5-171.7176.80000112.2C126 R127C126-V131 HydrophobicContact CB-CG2 4.43Å; R127-V131 WeakPolarHBondContact O-CG2 3.48Å; R127-V131 PolarHBondContact O-N 3.3Å; R127-V131 VanDerWaalsContact O-N 3.15Å
132G67.4Low84.9Confident31 Ų3176.9 Ų76.932%0.3239%0.393SS..  trans174.6145.9164.200000113.4L128 E130 R134L128-G132 PolarHBondContact O-N 2.75Å; E130-G132 PolarHBondContact O-N 2.72Å; G132-R134 PolarHBondContact O-N 3.25Å
133R69.1Low84.9Confident212 Ų21273.6 Ų73.680%0.838%0.375SS*.SBendtrans-63.512.4-178.5-56-175.6-176.8-172.7-0.4115.8V6V6-R133 PolarHBondContact N-O 2.68Å
134R80.4Confident84.9Confident180 Ų18069.8 Ų69.868%0.67936%0.356SS*.EExtended strand (participates in β ladder)trans-137117.6-179.9-62.2-173.8-174.9-160.40.5109.1S4 G132S4-R134 WeakPolarHBondContact O-CA 3.19Å; G132-R134 PolarHBondContact O-N 3.25Å
135L88.1Confident84.8Confident0 Ų075.7 Ų75.70%037%0.372CS..EExtended strand (participates in β ladder)trans-93.6162.5169.477.9106.8000109.3G3 S4 V6 A109 I110 L128G3-L135 CarbonylContact C-O 3.58Å; G3-L135 WeakPolarHBondContact CA-O 3.45Å; S4-L135 PolarHBondContact N-O 3.46Å; S4-L135 PolarHBondContact O-N 2.84Å; V6-L135 HydrophobicContact CG2-CB 4.02Å; V6-L135 HydrophobicContact CG2-CD2 3.6Å; V6-L135 HydrophobicContact CG2-CG 4.34Å; A109-L135 HydrophobicContact CB-CD2 3.45Å; A109-L135 VanDerWaalsContact CB-CD2 3.45Å; I110-L135 HydrophobicContact CD1-CD1 3.7Å; I110-L135 HydrophobicContact CG1-CD1 3.68Å; I110-L135 HydrophobicContact CG1-CD2 4.23Å; L128-L135 HydrophobicContact CD1-CB 4.27Å
136Y89.4Confident84.7Confident29 Ų2980.3 Ų80.311%0.11437%0.374CS..EExtended strand (participates in β ladder)trans-121.1124.7171.7-64.3-99.3000108.7L143 R145 Y148Y136-L143 PolarHBondContact N-O 3.29Å; Y136-L143 PolarHBondContact O-N 2.9Å; Y136-R145 HydrophobicContact CD2-CB 4.37Å; Y136-R145 HydrophobicContact CE2-CB 3.68Å; Y136-R145 HydrophobicContact CE2-CG 3.98Å; Y136-Y148 VanDerWaalsContact CB-CD2 3.4Å; Y136-Y148 AromaticContact CD1-CD1 3.56Å; Y136-Y148 HydrophobicContact CD1-CD1 3.56Å; Y136-Y148 AromaticContact CD1-CD2 3.95Å; Y136-Y148 HydrophobicContact CD1-CD2 3.95Å; Y136-Y148 AromaticContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE2 4.18Å; Y136-Y148 AromaticContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD2-CG 4.41Å; Y136-Y148 HydrophobicContact CE1-CD1 4Å; Y136-Y148 HydrophobicContact CE1-CE1 4.24Å; Y136-Y148 HydrophobicContact CE1-CG 4.46Å; Y136-Y148 AromaticContact CG-CD1 3.98Å; Y136-Y148 HydrophobicContact CG-CD1 3.98Å; Y136-Y148 AromaticContact CG-CD2 3.93Å; Y136-Y148 HydrophobicContact CG-CD2 3.93Å; Y136-Y148 AromaticContact CG-CG 3.6Å; Y136-Y148 HydrophobicContact CG-CG 3.6Å
137Y89.1Confident84.7Confident101 Ų10179 Ų7940%0.39637%0.365SS..EExtended strand (participates in β ladder)trans-112.8122.7177.7-169.1-109.5000109.6I110 G140 R141 K142I110-Y137 HydrophobicContact CD1-CD2 3.4Å; I110-Y137 VanDerWaalsContact CD1-CD2 3.4Å; I110-Y137 HydrophobicContact CD1-CE2 3.92Å; I110-Y137 HydrophobicContact CD1-CG 3.74Å; I110-Y137 HydrophobicContact CG1-CD2 4.43Å; I110-Y137 HydrophobicContact CG1-CG 4.31Å; I110-Y137 HydrophobicContact CG2-CD1 4.18Å; I110-Y137 HydrophobicContact CG2-CE1 4.42Å; I110-Y137 HydrophobicContact CG2-CG 4.37Å; Y137-G140 VanDerWaalsContact CE2-C 3.45Å; Y137-G140 WeakPolarHBondContact CE2-O 3.44Å; Y137-G140 WeakPolarHBondContact OH-CA 3.4Å; Y137-G140 PolarHBondContact OH-O 2.84Å; Y137-R141 WeakPolarHBondContact CA-O 3.47Å; Y137-R141 VanDerWaalsContact CD2-O 3.31Å; Y137-R141 WeakPolarHBondContact CD2-O 3.47Å; Y137-K142 HydrophobicContact CD2-CB 4.32Å
138K88.1Confident84.7Confident80 Ų8076.9 Ų76.935%0.34836%0.357SS..EExtended strand (participates in β ladder)trans-157.7140.2179.4-164.7167178.7-179.70110.9G140 R141 Y148 F152K138-G140 PolarHBondContact O-N 3.44Å; K138-R141 PolarHBondContact N-O 3.49Å; K138-R141 PolarHBondContact O-N 3.4Å; K138-Y148 HydrophobicContact CB-CE2 4.19Å; K138-Y148 HydrophobicContact CD-CE2 3.86Å; K138-F152 HydrophobicContact CB-CD2 4.41Å; K138-F152 HydrophobicContact CB-CE2 3.9Å; K138-F152 HydrophobicContact CB-CZ 4.21Å; K138-F152 HydrophobicContact CD-CB 4.47Å; K138-F152 HydrophobicContact CD-CD1 3.95Å; K138-F152 HydrophobicContact CD-CD2 3.89Å; K138-F152 HydrophobicContact CD-CE1 4.05Å; K138-F152 HydrophobicContact CD-CE2 3.99Å; K138-F152 HydrophobicContact CD-CG 3.85Å; K138-F152 HydrophobicContact CD-CZ 4.07Å; K138-F152 HydrophobicContact CG-CE1 4.37Å; K138-F152 HydrophobicContact CG-CE2 4.12Å; K138-F152 HydrophobicContact CG-CZ 4.04Å
139L86.8Confident84.7Confident141 Ų14178.7 Ų78.774%0.73837%0.366SS*.THydrogen-bonded Turntrans50.641.6-175.8-58.7-179.9000113.3R141 F152L139-R141 PolarHBondContact O-N 3.06Å; L139-F152 HydrophobicContact CD1-CE1 3.86Å; L139-F152 HydrophobicContact CD1-CZ 3.92Å; L139-F152 HydrophobicContact CG-CE1 4.43Å; L139-F152 HydrophobicContact CG-CZ 4.26Å
140G85.9Confident85Confident53 Ų5385.3 Ų85.355%0.54638%0.383SS..THydrogen-bonded Turntrans76.4-0.4-179.700000115.6Y137 K138Y137-G140 VanDerWaalsContact CE2-C 3.45Å; Y137-G140 WeakPolarHBondContact CE2-O 3.44Å; Y137-G140 WeakPolarHBondContact OH-CA 3.4Å; Y137-G140 PolarHBondContact OH-O 2.84Å; K138-G140 PolarHBondContact O-N 3.44Å
141R88.9Confident85.3Confident135 Ų13583.3 Ų83.351%0.50938%0.376SS..EExtended strand (participates in β ladder)trans-110.3138.4-173.1-61.1-178-172.9-145.5-0.4112.7D122 Y137 K138 L139 L143D122-R141 WeakPolarHBondContact OD2-CA 3.4Å; D122-R141 WeakPolarHBondContact OD2-CB 3.37Å; Y137-R141 WeakPolarHBondContact CA-O 3.47Å; Y137-R141 VanDerWaalsContact CD2-O 3.31Å; Y137-R141 WeakPolarHBondContact CD2-O 3.47Å; K138-R141 PolarHBondContact N-O 3.49Å; K138-R141 PolarHBondContact O-N 3.4Å; L139-R141 PolarHBondContact O-N 3.06Å; R141-L143 HydrophobicContact CB-CG 4.39Å
142K89.9Confident86Confident35 Ų3581.5 Ų81.515%0.15236%0.36CS..EExtended strand (participates in β ladder)trans-93.7119.1173.655.7-175.2-175.1-49.60109.9W114 L119 S120 C121 D122 L128 Y137W114-K142 HydrophobicContact CH2-CD 4.38Å; W114-K142 HydrophobicContact CZ3-CD 4.29Å; L119-K142 HydrophobicContact CD1-CD 4.33Å; S120-K142 WeakPolarHBondContact O-CD 3.49Å; S120-K142 WeakPolarHBondContact O-CE 3.42Å; S120-K142 WeakPolarHBondContact O-CG 3.29Å; C121-K142 WeakPolarHBondContact CA-O 3.34Å; D122-K142 PolarHBondContact N-O 3.06Å; D122-K142 WeakPolarHBondContact OD1-CG 3.25Å; D122-K142 IonicContact OD1-NZ 2.89Å; D122-K142 PolarHBondContact OD1-NZ 3.44Å; D122-K142 WeakPolarHBondContact OD2-CG 3.39Å; D122-K142 PolarHBondContact OD2-N 3.29Å; L128-K142 HydrophobicContact CD1-CB 4.13Å; L128-K142 HydrophobicContact CD1-CG 4.42Å; Y137-K142 HydrophobicContact CD2-CB 4.32Å
143L90.9Very high86.8Confident0 Ų081.1 Ų81.10%036%0.357CS..EExtended strand (participates in β ladder)trans-127.6145.3-169.5-63.1177000112.3L123 Y136 R141 D147 L151 F152L123-L143 HydrophobicContact CB-CD2 4.38Å; L123-L143 HydrophobicContact CD1-CD2 3.92Å; L123-L143 HydrophobicContact CG-CD2 3.97Å; Y136-L143 PolarHBondContact N-O 3.29Å; Y136-L143 PolarHBondContact O-N 2.9Å; R141-L143 HydrophobicContact CB-CG 4.39Å; L143-D147 HydrophobicContact CD2-CB 4.43Å; L143-L151 HydrophobicContact CD1-CD1 3.92Å; L143-F152 HydrophobicContact CD1-CD2 4.31Å; L143-F152 HydrophobicContact CD1-CE2 3.75Å
144C90.4Very high87.4Confident8 Ų879.8 Ų79.85%0.05436%0.359CS..  trans-74.5160.9168.584.60000110.2C121 L128 R146 D147 Y148C121-C144 HydrophobicContact CB-CB 4.24Å; C121-C144 PolarHBondContact SG-N 2.93Å; L128-C144 HydrophobicContact CD2-CB 3.71Å; C144-R146 PolarHBondContact O-N 3.42Å; C144-R146 VanDerWaalsContact O-N 3.14Å; C144-D147 PolarHBondContact O-N 3.16Å; C144-D147 VanDerWaalsContact O-N 3.16Å; C144-D147 PolarHBondContact SG-N 3.14Å; C144-D147 VanDerWaalsContact SG-N 3.42Å; C144-D147 PolarHBondContact SG-OD2 2.87Å; C144-Y148 WeakPolarHBondContact O-CB 3.35Å; C144-Y148 PolarHBondContact O-N 3.17Å
145R87.1Confident87.7Confident170 Ų17074.7 Ų74.764%0.64235%0.345SS*.Hα-helixtrans-50.6-42.1179.5-175.7176.5173.7176.8-1113.1Y136 L149Y136-R145 HydrophobicContact CD2-CB 4.37Å; Y136-R145 HydrophobicContact CE2-CB 3.68Å; Y136-R145 HydrophobicContact CE2-CG 3.98Å; R145-L149 HydrophobicContact CG-CD1 4.01Å; R145-L149 WeakPolarHBondContact O-CB 3.2Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.29Å; R145-L149 PolarHBondContact O-N 2.05Å
146R88.4Confident87.6Confident147 Ų14776 Ų7656%0.55536%0.36SS*.Hα-helixtrans-66.3-47.4-178.3-170.4-178.664.8-175.3-3111.6C144 L149 R150 Y168C144-R146 PolarHBondContact O-N 3.42Å; C144-R146 VanDerWaalsContact O-N 3.14Å; R146-L149 PolarHBondContact O-N 3.2Å; R146-R150 WeakPolarHBondContact O-CB 3.11Å; R146-R150 PolarHBondContact O-N 2.95Å; R146-Y168 HydrophobicContact CG-CD2 4.4Å; R146-Y168 HydrophobicContact CG-CG 4.43Å; R146-Y168 WeakPolarHBondContact O-CB 3.48Å
147D89.8Confident87.7Confident8 Ų880 Ų804%0.04338%0.382CS..Hα-helixtrans-75.4-33.4-176.8-59-31.7000111.8C121 L123 C124 L143 C144 R150 L151C121-D147 PolarHBondContact SG-OD2 3.1Å; L123-D147 HydrophobicContact CB-CB 4.17Å; L123-D147 HydrophobicContact CD1-CB 3.93Å; C124-D147 WeakPolarHBondContact CB-OD2 3.47Å; C124-D147 PolarHBondContact N-OD2 3.32Å; C124-D147 PolarHBondContact SG-OD2 3.45Å; L143-D147 HydrophobicContact CD2-CB 4.43Å; C144-D147 PolarHBondContact O-N 3.16Å; C144-D147 VanDerWaalsContact O-N 3.16Å; C144-D147 PolarHBondContact SG-N 3.14Å; C144-D147 VanDerWaalsContact SG-N 3.42Å; C144-D147 PolarHBondContact SG-OD2 2.87Å; D147-R150 WeakPolarHBondContact O-CB 3.24Å; D147-R150 PolarHBondContact O-N 3.03Å; D147-L151 PolarHBondContact O-N 3.2Å
148Y90.1Very high88Confident25 Ų2575.2 Ų75.210%0.09836%0.363CS..Hα-helixtrans-60.6-48.2169.6177.1-91.2000111.7Y136 K138 C144 R150 L151 F152Y136-Y148 VanDerWaalsContact CB-CD2 3.4Å; Y136-Y148 AromaticContact CD1-CD1 3.56Å; Y136-Y148 HydrophobicContact CD1-CD1 3.56Å; Y136-Y148 AromaticContact CD1-CD2 3.95Å; Y136-Y148 HydrophobicContact CD1-CD2 3.95Å; Y136-Y148 AromaticContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE1 3.85Å; Y136-Y148 HydrophobicContact CD1-CE2 4.18Å; Y136-Y148 AromaticContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD1-CG 3.64Å; Y136-Y148 HydrophobicContact CD2-CG 4.41Å; Y136-Y148 HydrophobicContact CE1-CD1 4Å; Y136-Y148 HydrophobicContact CE1-CE1 4.24Å; Y136-Y148 HydrophobicContact CE1-CG 4.46Å; Y136-Y148 AromaticContact CG-CD1 3.98Å; Y136-Y148 HydrophobicContact CG-CD1 3.98Å; Y136-Y148 AromaticContact CG-CD2 3.93Å; Y136-Y148 HydrophobicContact CG-CD2 3.93Å; Y136-Y148 AromaticContact CG-CG 3.6Å; Y136-Y148 HydrophobicContact CG-CG 3.6Å; K138-Y148 HydrophobicContact CB-CE2 4.19Å; K138-Y148 HydrophobicContact CD-CE2 3.86Å; C144-Y148 WeakPolarHBondContact O-CB 3.35Å; C144-Y148 PolarHBondContact O-N 3.17Å; Y148-R150 VanDerWaalsContact C-N 3.29Å; Y148-R150 PolarHBondContact O-N 3.06Å; Y148-L151 PolarHBondContact O-N 2.71Å; Y148-F152 AromaticContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CE2 4.34Å; Y148-F152 HydrophobicContact CE1-CB 4.4Å; Y148-F152 HydrophobicContact CE2-CB 4.12Å; Y148-F152 AromaticContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CE2 4.49Å; Y148-F152 HydrophobicContact CE2-CG 4.24Å; Y148-F152 HydrophobicContact CG-CD2 4.38Å; Y148-F152 PolarHBondContact O-N 2.82Å
149L88.6Confident88.2Confident41 Ų4172.4 Ų72.422%0.21536%0.355CS..Hα-helixtrans-63.6-36.3175.4-71.8169.8000111.4R145 R146 L151 G153 A167R145-L149 HydrophobicContact CG-CD1 4.01Å; R145-L149 WeakPolarHBondContact O-CB 3.2Å; R145-L149 VanDerWaalsContact O-CG 3.24Å; R145-L149 WeakPolarHBondContact O-CG 3.29Å; R145-L149 PolarHBondContact O-N 2.05Å; R146-L149 PolarHBondContact O-N 3.2Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 3.47Å; L149-G153 VanDerWaalsContact O-CA 3.25Å; L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.04Å; L149-A167 HydrophobicContact CB-CB 4.31Å; L149-A167 WeakPolarHBondContact O-CB 3.18Å
150R86.5Confident88.5Confident165 Ų16568.5 Ų68.562%0.62334%0.339SS*.Hα-helixtrans-62.4-34.2175.6-176.7172.6-179.7-179.82.3114.3R146 D147 Y148 Y168R146-R150 WeakPolarHBondContact O-CB 3.11Å; R146-R150 PolarHBondContact O-N 2.95Å; D147-R150 WeakPolarHBondContact O-CB 3.24Å; D147-R150 PolarHBondContact O-N 3.03Å; Y148-R150 VanDerWaalsContact C-N 3.29Å; Y148-R150 PolarHBondContact O-N 3.06Å; R150-Y168 HydrophobicContact CB-CD1 3.52Å; R150-Y168 HydrophobicContact CB-CE1 4.05Å; R150-Y168 HydrophobicContact CB-CG 4.27Å; R150-Y168 HydrophobicContact CG-CD1 3.71Å; R150-Y168 HydrophobicContact CG-CE1 3.69Å
151L85.6Confident88.8Confident90 Ų9067.9 Ų67.947%0.47133%0.327SS..Hα-helixtrans-93.6-35.3-179.9-71.3-177.5000114.2L123 L143 D147 Y148 L149L123-L151 HydrophobicContact CD1-CD1 3.71Å; L123-L151 HydrophobicContact CD1-CG 4.15Å; L143-L151 HydrophobicContact CD1-CD1 3.92Å; D147-L151 PolarHBondContact O-N 3.2Å; Y148-L151 PolarHBondContact O-N 2.71Å; L149-L151 VanDerWaalsContact C-N 3.33Å; L149-L151 PolarHBondContact O-N 3.47Å
152F85.9Confident88.9Confident61 Ų6167.7 Ų67.727%0.26834%0.335SS..Hα-helixtrans-132.2-0.1-167.1-52.8-68.1000114.4K138 L139 L143 Y148K138-F152 HydrophobicContact CB-CD2 4.41Å; K138-F152 HydrophobicContact CB-CE2 3.9Å; K138-F152 HydrophobicContact CB-CZ 4.21Å; K138-F152 HydrophobicContact CD-CB 4.47Å; K138-F152 HydrophobicContact CD-CD1 3.95Å; K138-F152 HydrophobicContact CD-CD2 3.89Å; K138-F152 HydrophobicContact CD-CE1 4.05Å; K138-F152 HydrophobicContact CD-CE2 3.99Å; K138-F152 HydrophobicContact CD-CG 3.85Å; K138-F152 HydrophobicContact CD-CZ 4.07Å; K138-F152 HydrophobicContact CG-CE1 4.37Å; K138-F152 HydrophobicContact CG-CE2 4.12Å; K138-F152 HydrophobicContact CG-CZ 4.04Å; L139-F152 HydrophobicContact CD1-CE1 3.86Å; L139-F152 HydrophobicContact CD1-CZ 3.92Å; L139-F152 HydrophobicContact CG-CE1 4.43Å; L139-F152 HydrophobicContact CG-CZ 4.26Å; L143-F152 HydrophobicContact CD1-CD2 4.31Å; L143-F152 HydrophobicContact CD1-CE2 3.75Å; Y148-F152 AromaticContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CD2 3.63Å; Y148-F152 HydrophobicContact CD2-CE2 4.34Å; Y148-F152 HydrophobicContact CE1-CB 4.4Å; Y148-F152 HydrophobicContact CE2-CB 4.12Å; Y148-F152 AromaticContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CD2 3.69Å; Y148-F152 HydrophobicContact CE2-CE2 4.49Å; Y148-F152 HydrophobicContact CE2-CG 4.24Å; Y148-F152 HydrophobicContact CG-CD2 4.38Å; Y148-F152 PolarHBondContact O-N 2.82Å
153G83.9Confident89Confident23 Ų2372.9 Ų72.924%0.23736%0.358CS..SBendtrans-76.1150.3171.900000110.9L149 D155 A167L149-G153 VanDerWaalsContact O-CA 3.25Å; L149-G153 WeakPolarHBondContact O-CA 3.46Å; L149-G153 PolarHBondContact O-N 3.04Å; G153-D155 PolarHBondContact O-N 2.72Å; G153-A167 VanDerWaalsContact C-CB 3.5Å
154Q82.3Confident89Confident184 Ų18480.7 Ų80.786%0.8639%0.388SS*.PPolyproline II helixtrans-73.6122.7176.3-68.3168.6-1100109.5A167Q154-A167 VanDerWaalsContact O-CB 3.29Å; Q154-A167 WeakPolarHBondContact O-CB 3.33Å
155D85.9Confident89Confident72 Ų7280.6 Ų80.639%0.38539%0.386SS..PPolyproline II helixtrans-73.5141171.848.8-31.4000111.3G153 R164 I165G153-D155 PolarHBondContact O-N 2.72Å; D155-R164 WeakPolarHBondContact OD2-CD 3.39Å; D155-R164 IonicContact OD2-CZ 3.83Å; D155-R164 IonicContact OD2-NE 2.95Å; D155-R164 IonicContact OD2-NH1 3.92Å; D155-R164 PolarHBondContact OD2-NH1 2.77Å; D155-I165 WeakPolarHBondContact CA-O 3.34Å; D155-I165 WeakPolarHBondContact CB-O 3.4Å
156G86.3Confident89Confident29 Ų2978.7 Ų78.730%0.29938%0.379SS..EExtended strand (participates in β ladder)trans-103171.8177.700000111.6R164 I165G156-R164 CarbonylContact O-C 3.47Å; G156-R164 WeakPolarHBondContact O-CA 3.3Å; G156-I165 PolarHBondContact N-O 3.35Å; G156-I165 VanDerWaalsContact N-O 3.08Å; G156-I165 PolarHBondContact O-N 2.8Å
157L92Very high88.8Confident112 Ų11273.2 Ų73.259%0.58637%0.365SS*.EExtended strand (participates in β ladder)trans-111.7135.1167.9-67.4172.8000109.2R164L157-R164 HydrophobicContact CD2-CG 3.88Å
158C94.3Very high88.5Confident0 Ų077.4 Ų77.40%038%0.381CS..  trans-80.8115.5176.1177.30000110.4S160 C161 D162 K163 I165 V178 H180C158-S160 PolarHBondContact O-N 2.96Å; C158-C161 PolarHBondContact O-N 2.87Å; C158-D162 WeakPolarHBondContact O-CA 3.23Å; C158-D162 PolarHBondContact O-N 2.88Å; C158-K163 PolarHBondContact N-O 3.08Å; C158-I165 HydrophobicContact CB-CD1 3.99Å; C158-I165 HydrophobicContact CB-CG1 3.88Å; C158-V178 WeakPolarHBondContact CA-O 3.46Å; C158-H180 WeakPolarHBondContact CB-CE1 3.42Å; C158-H180 VanDerWaalsContact CB-ND1 3.35Å; C158-H180 WeakPolarHBondContact CB-ND1 3.1Å; C158-H180 PolarHBondContact SG-ND1 2.99Å; C158-H180 VanDerWaalsContact SG-ND1 3.36Å
159A92.9Very high88.3Confident21 Ų2179.9 Ų79.917%0.17439%0.394CS..THydrogen-bonded Turntrans-69.3-0.8-174.900000115.5K177 V178 Y179 S204A159-K177 HydrophobicContact CB-CB 4Å; A159-K177 HydrophobicContact CB-CD 3.85Å; A159-K177 HydrophobicContact CB-CG 4.12Å; A159-V178 PolarHBondContact N-O 3.07Å; A159-Y179 HydrophobicContact CB-CD1 4.44Å; A159-Y179 HydrophobicContact CB-CE1 3.79Å; A159-S204 WeakPolarHBondContact O-CB 3.42Å
160S91.9Very high88.2Confident59 Ų5984.8 Ų84.841%0.41342%0.417SS..THydrogen-bonded Turntrans-108.4-19.4176.3160.40000113.9C158C158-S160 PolarHBondContact O-N 2.96Å
161C92.8Very high88.5Confident41 Ų4179.7 Ų79.728%0.27741%0.405SS..THydrogen-bonded Turntrans-139.34-177.272.40000114.5C158 K163 H180C158-C161 PolarHBondContact O-N 2.87Å; C161-K163 PolarHBondContact O-N 3.49Å; C161-H180 PolarHBondContact SG-ND1 2.98Å
162D91.8Very high88.8Confident130 Ų13078.8 Ų78.870%0.69540%0.399SS*.  trans52.811.8177.6-58-54.4000116.2C158C158-D162 WeakPolarHBondContact O-CA 3.23Å; C158-D162 PolarHBondContact O-N 2.88Å
163K92.3Very high89Confident145 Ų14583.9 Ų83.963%0.6342%0.416SS*.PPolyproline II helixtrans-79.3148.9173.6-68.3171.8-172.8178.90110.9C158 C161 I165C158-K163 PolarHBondContact N-O 3.08Å; C161-K163 PolarHBondContact O-N 3.49Å; K163-I165 PolarHBondContact O-N 3Å
164R90.1Very high89.3Confident163 Ų16383 Ų8362%0.61541%0.406SS*.EExtended strand (participates in β ladder)trans-68.9117.7173.8-70.7-176.2-178.9-135.17.3111.2D155 G156 L157D155-R164 WeakPolarHBondContact OD2-CD 3.39Å; D155-R164 IonicContact OD2-CZ 3.83Å; D155-R164 IonicContact OD2-NE 2.95Å; D155-R164 IonicContact OD2-NH1 3.92Å; D155-R164 PolarHBondContact OD2-NH1 2.77Å; G156-R164 CarbonylContact O-C 3.47Å; G156-R164 WeakPolarHBondContact O-CA 3.3Å; L157-R164 HydrophobicContact CD2-CG 3.88Å
165I91.1Very high89.6Confident6 Ų681.4 Ų81.43%0.03140%0.397CS..EExtended strand (participates in β ladder)trans-77130.2169.5-52.8177.6000108.3D155 G156 C158 K163 E169 T171 V178D155-I165 WeakPolarHBondContact CA-O 3.34Å; D155-I165 WeakPolarHBondContact CB-O 3.4Å; G156-I165 PolarHBondContact N-O 3.35Å; G156-I165 VanDerWaalsContact N-O 3.08Å; G156-I165 PolarHBondContact O-N 2.8Å; C158-I165 HydrophobicContact CB-CD1 3.99Å; C158-I165 HydrophobicContact CB-CG1 3.88Å; K163-I165 PolarHBondContact O-N 3Å; I165-E169 HydrophobicContact CG2-CB 4.32Å; I165-T171 HydrophobicContact CB-CG2 4.45Å; I165-T171 HydrophobicContact CD1-CG2 3.89Å; I165-T171 HydrophobicContact CG2-CG2 3.26Å; I165-V178 HydrophobicContact CD1-CB 4.07Å; I165-V178 HydrophobicContact CD1-CG1 3.56Å
166R87.1Confident89.8Confident130 Ų13084.4 Ų84.449%0.49141%0.413SS..PPolyproline II helixtrans-79.8141.7174.4-59.5-57.1-173.6166.8-0.1111.1Y168 E169R166-Y168 HydrophobicContact CB-CD1 3.67Å; R166-Y168 HydrophobicContact CB-CE1 3.37Å; R166-Y168 HydrophobicContact CB-CG 4.46Å; R166-Y168 HydrophobicContact CG-CE1 3.82Å; R166-Y168 PolarHBondContact O-N 2.87Å; R166-E169 HydrophobicContact CB-CB 4.38Å; R166-E169 PolarHBondContact N-OE2 2.8Å; R166-E169 WeakPolarHBondContact O-CB 3.39Å; R166-E169 PolarHBondContact O-N 2.85Å
167A84.3Confident90Very high32 Ų3286.1 Ų86.126%0.26441%0.412SS..THydrogen-bonded Turntrans-64.7-11.3-175.900000115.6L149 G153 Q154L149-A167 HydrophobicContact CB-CB 4.31Å; L149-A167 WeakPolarHBondContact O-CB 3.18Å; G153-A167 VanDerWaalsContact C-CB 3.5Å; Q154-A167 VanDerWaalsContact O-CB 3.29Å; Q154-A167 WeakPolarHBondContact O-CB 3.33Å
168Y82.1Confident90Very high96 Ų9682.7 Ų82.738%0.37640%0.396SS..THydrogen-bonded Turntrans-93.2-7.617369.7-96.1000113.5R146 R150 R166R146-Y168 HydrophobicContact CG-CD2 4.4Å; R146-Y168 HydrophobicContact CG-CG 4.43Å; R146-Y168 WeakPolarHBondContact O-CB 3.48Å; R150-Y168 HydrophobicContact CB-CD1 3.52Å; R150-Y168 HydrophobicContact CB-CE1 4.05Å; R150-Y168 HydrophobicContact CB-CG 4.27Å; R150-Y168 HydrophobicContact CG-CD1 3.71Å; R150-Y168 HydrophobicContact CG-CE1 3.69Å; R166-Y168 HydrophobicContact CB-CD1 3.67Å; R166-Y168 HydrophobicContact CB-CE1 3.37Å; R166-Y168 HydrophobicContact CB-CG 4.46Å; R166-Y168 HydrophobicContact CG-CE1 3.82Å; R166-Y168 PolarHBondContact O-N 2.87Å
169E86.8Confident90Very high77 Ų7782.8 Ų82.836%0.3640%0.396SS..SBendtrans-83.8147.3-175.8-163.9173.4175.300110.6I165 R166 H180I165-E169 HydrophobicContact CG2-CB 4.32Å; R166-E169 HydrophobicContact CB-CB 4.38Å; R166-E169 PolarHBondContact N-OE2 2.8Å; R166-E169 WeakPolarHBondContact O-CB 3.39Å; R166-E169 PolarHBondContact O-N 2.85Å; E169-H180 IonicContact OE1-CD2 2.7Å; E169-H180 PolarHBondContact OE1-CD2 2.91Å; E169-H180 VanDerWaalsContact OE1-CD2 3.27Å; E169-H180 IonicContact OE2-CD2 3.9Å
170M87.3Confident90Very high144 Ų14482.8 Ų82.871%0.70939%0.392SS*.  trans-83.5130177.4-69.3175.359.400109.8L181M170-L181 HydrophobicContact CB-CD1 3.65Å
171T91.5Very high90Very high58 Ų5883.8 Ų83.836%0.35639%0.393SS..EExtended strand (participates in β ladder)trans-128.2152.5-175.653.30000112.2I165 V178 Y179I165-T171 HydrophobicContact CB-CG2 4.45Å; I165-T171 HydrophobicContact CD1-CG2 3.89Å; I165-T171 HydrophobicContact CG2-CG2 3.26Å; T171-V178 HydrophobicContact CG2-CG1 3.82Å; T171-Y179 CarbonylContact C-O 3.56Å; T171-Y179 WeakPolarHBondContact CA-O 3.34Å; T171-Y179 WeakPolarHBondContact CB-O 3.35Å
172M91.6Very high90Very high71 Ų7189.4 Ų89.435%0.3542%0.415SS..EExtended strand (participates in β ladder)trans-90.7136.3161.7-69.5-62.8-157.200109.9V178 Y179 L181 F184M172-V178 WeakPolarHBondContact O-CA 3.34Å; M172-Y179 PolarHBondContact N-O 3.22Å; M172-Y179 PolarHBondContact O-N 3.47Å; M172-L181 HydrophobicContact CE-CD2 4.08Å; M172-L181 HydrophobicContact CG-CD2 3.93Å; M172-L181 HydrophobicContact SD-CD2 4.34Å; M172-F184 HydrophobicContact CB-CB 4.18Å; M172-F184 HydrophobicContact CB-CD1 4.37Å; M172-F184 HydrophobicContact CB-CD2 3.86Å; M172-F184 HydrophobicContact CB-CE2 4.37Å; M172-F184 HydrophobicContact CB-CG 3.87Å; M172-F184 HydrophobicContact CE-CD1 3.97Å; M172-F184 HydrophobicContact CE-CE1 4.06Å; M172-F184 HydrophobicContact CG-CB 3.93Å; M172-F184 HydrophobicContact CG-CD1 3.72Å; M172-F184 HydrophobicContact CG-CD2 4.12Å; M172-F184 HydrophobicContact CG-CE1 4.25Å; M172-F184 HydrophobicContact CG-CG 3.65Å
173R91.5Very high90Very high168 Ų16884.1 Ų84.163%0.63439%0.388SS*.EExtended strand (participates in β ladder)trans-114.9126.6170.6-177.6174.4175.7164.72.2109.1K175 D176 K177 V178R173-K175 WeakPolarHBondContact CG-O 3.33Å; R173-K175 PolarHBondContact NE-O 2.92Å; R173-D176 IonicContact NH2-OD1 3.65Å; R173-D176 PolarHBondContact NH2-OD1 3.24Å; R173-K177 CarbonylContact C-O 3.57Å; R173-K177 WeakPolarHBondContact CA-O 3.37Å; R173-V178 HydrophobicContact CG-CG2 4.38Å
174V90Very high90.1Very high4 Ų478.1 Ų78.12%0.02436%0.362CS..EExtended strand (participates in β ladder)trans-123.6112.3177.9-171.50000107.7D176 K177 Y179 F184 Y199 L201 I206V174-D176 PolarHBondContact O-N 2.92Å; V174-D176 VanDerWaalsContact O-N 3.07Å; V174-K177 PolarHBondContact N-O 2.96Å; V174-K177 PolarHBondContact O-N 2.99Å; V174-Y179 HydrophobicContact CB-CE2 4.15Å; V174-Y179 HydrophobicContact CG2-CD2 4.24Å; V174-Y179 HydrophobicContact CG2-CE2 4.12Å; V174-F184 HydrophobicContact CG2-CD2 4.3Å; V174-F184 HydrophobicContact CG2-CE2 3.61Å; V174-F184 HydrophobicContact CG2-CZ 4.48Å; V174-Y199 HydrophobicContact CG1-CE2 3.58Å; V174-L201 HydrophobicContact CG1-CB 4.29Å; V174-L201 HydrophobicContact CG1-CD2 3.97Å; V174-I206 HydrophobicContact CG2-CD1 4.24Å
175K88.5Confident90.3Very high152 Ų15273.5 Ų73.566%0.66135%0.346SS*.THydrogen-bonded Turntrans50.3-114.1-167.2-53.1-177.2-170.9172.40109.6R173 L201R173-K175 WeakPolarHBondContact CG-O 3.33Å; R173-K175 PolarHBondContact NE-O 2.92Å; K175-L201 HydrophobicContact CB-CD2 4.48Å; K175-L201 HydrophobicContact CD-CD2 4.08Å; K175-L201 HydrophobicContact CG-CD2 4.31Å
176D89.6Confident90.4Very high135 Ų13573.3 Ų73.372%0.72235%0.345SS*.THydrogen-bonded Turntrans-1010.3-178-56.9-64000114.3R173 V174R173-D176 IonicContact NH2-OD1 3.65Å; R173-D176 PolarHBondContact NH2-OD1 3.24Å; V174-D176 PolarHBondContact O-N 2.92Å; V174-D176 VanDerWaalsContact O-N 3.07Å
177K90.4Very high90.6Very high64 Ų6468.2 Ų68.228%0.27833%0.331SS..EExtended strand (participates in β ladder)trans-101.7143.8179.5-68.8-170.7167.9-172.20112.1A159 R173 V174 Y179 N203 S204A159-K177 HydrophobicContact CB-CB 4Å; A159-K177 HydrophobicContact CB-CD 3.85Å; A159-K177 HydrophobicContact CB-CG 4.12Å; R173-K177 CarbonylContact C-O 3.57Å; R173-K177 WeakPolarHBondContact CA-O 3.37Å; V174-K177 PolarHBondContact N-O 2.96Å; V174-K177 PolarHBondContact O-N 2.99Å; K177-Y179 HydrophobicContact CB-CE2 3.54Å; K177-Y179 WeakPolarHBondContact CB-OH 3.46Å; K177-Y179 WeakPolarHBondContact CD-OH 3.36Å; K177-N203 WeakPolarHBondContact CD-O 3.34Å; K177-N203 VanDerWaalsContact CE-O 3.3Å; K177-N203 WeakPolarHBondContact CE-O 3.32Å; K177-N203 PolarHBondContact NZ-O 2.86Å; K177-S204 VanDerWaalsContact NZ-CA 3.33Å; K177-S204 PolarHBondContact NZ-OG 2.82Å
178V92.8Very high90.9Very high41 Ų4168.7 Ų68.725%0.24834%0.335CS..EExtended strand (participates in β ladder)trans-117.7141-178.8-168.30000109.3C158 A159 I165 T171 M172 R173C158-V178 WeakPolarHBondContact CA-O 3.46Å; A159-V178 PolarHBondContact N-O 3.07Å; I165-V178 HydrophobicContact CD1-CB 4.07Å; I165-V178 HydrophobicContact CD1-CG1 3.56Å; T171-V178 HydrophobicContact CG2-CG1 3.82Å; M172-V178 WeakPolarHBondContact O-CA 3.34Å; R173-V178 HydrophobicContact CG-CG2 4.38Å
179Y93Very high91.4Very high1 Ų167.2 Ų67.20%0.00434%0.338CS..EExtended strand (participates in β ladder)trans-136.7145-175.5-55.7-93.7000110.1A159 T171 M172 V174 K177 L201 S204 I206A159-Y179 HydrophobicContact CB-CD1 4.44Å; A159-Y179 HydrophobicContact CB-CE1 3.79Å; T171-Y179 CarbonylContact C-O 3.56Å; T171-Y179 WeakPolarHBondContact CA-O 3.34Å; T171-Y179 WeakPolarHBondContact CB-O 3.35Å; M172-Y179 PolarHBondContact N-O 3.22Å; M172-Y179 PolarHBondContact O-N 3.47Å; V174-Y179 HydrophobicContact CB-CE2 4.15Å; V174-Y179 HydrophobicContact CG2-CD2 4.24Å; V174-Y179 HydrophobicContact CG2-CE2 4.12Å; K177-Y179 HydrophobicContact CB-CE2 3.54Å; K177-Y179 WeakPolarHBondContact CB-OH 3.46Å; K177-Y179 WeakPolarHBondContact CD-OH 3.36Å; Y179-L201 WeakPolarHBondContact OH-CD1 3.5Å; Y179-S204 WeakPolarHBondContact CE1-O 3.14Å; Y179-S204 PolarHBondContact OH-O 2.85Å; Y179-I206 HydrophobicContact CD1-CD1 4.28Å; Y179-I206 HydrophobicContact CD2-CD1 4.16Å; Y179-I206 HydrophobicContact CE1-CD1 4.05Å; Y179-I206 HydrophobicContact CE2-CD1 3.92Å; Y179-I206 HydrophobicContact CG-CD1 4.34Å
180H94Very high91.7Very high21 Ų2168.2 Ų68.210%0.09734%0.342CS..EExtended strand (participates in β ladder)trans-61.2153.6162.3-54.2106.9000109.7C158 C161 E169 E182 C183 F184C158-H180 WeakPolarHBondContact CB-CE1 3.42Å; C158-H180 VanDerWaalsContact CB-ND1 3.35Å; C158-H180 WeakPolarHBondContact CB-ND1 3.1Å; C158-H180 PolarHBondContact SG-ND1 2.99Å; C158-H180 VanDerWaalsContact SG-ND1 3.36Å; C161-H180 PolarHBondContact SG-ND1 2.98Å; E169-H180 IonicContact OE1-CD2 2.7Å; E169-H180 PolarHBondContact OE1-CD2 2.91Å; E169-H180 VanDerWaalsContact OE1-CD2 3.27Å; E169-H180 IonicContact OE2-CD2 3.9Å; H180-E182 VanDerWaalsContact C-N 3.26Å; H180-E182 PolarHBondContact O-N 2.79Å; H180-C183 HydrophobicContact CB-CB 4.16Å; H180-C183 CarbonylContact O-C 3.49Å; H180-C183 WeakPolarHBondContact O-CA 3.35Å; H180-C183 PolarHBondContact O-N 2.89Å; H180-F184 PolarHBondContact O-N 3.27Å; H180-F184 VanDerWaalsContact O-N 3.13Å
181L91.8Very high92Very high80 Ų8066.8 Ų66.842%0.41933%0.332SS..G310 helixtrans-56.7-39.5175.1-72.7164.7000112.4M170 M172 C183 F184M170-L181 HydrophobicContact CB-CD1 3.65Å; M172-L181 HydrophobicContact CE-CD2 4.08Å; M172-L181 HydrophobicContact CG-CD2 3.93Å; M172-L181 HydrophobicContact SD-CD2 4.34Å; L181-C183 VanDerWaalsContact C-N 3.28Å; L181-C183 PolarHBondContact O-N 3.36Å; L181-F184 PolarHBondContact O-N 2.88Å
182E92.1Very high92Very high160 Ų16069 Ų6975%0.74834%0.339SS*.G310 helixtrans-72-19.3176.6-59176.3-177.200113.6H180H180-E182 VanDerWaalsContact C-N 3.26Å; H180-E182 PolarHBondContact O-N 2.79Å
183C93.3Very high92Very high18 Ų1866.8 Ų66.812%0.12233%0.327CS..G310 helixtrans-91.6-7.9174.4-61.10000112.4H180 L181 K185H180-C183 HydrophobicContact CB-CB 4.16Å; H180-C183 CarbonylContact O-C 3.49Å; H180-C183 WeakPolarHBondContact O-CA 3.35Å; H180-C183 PolarHBondContact O-N 2.89Å; L181-C183 VanDerWaalsContact C-N 3.28Å; L181-C183 PolarHBondContact O-N 3.36Å; C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 2.82Å
184F93.4Very high92Very high19 Ų1963 Ų638%0.08333%0.325CS..  trans-84.774.8179.5-170.4-114.4000111.1M172 V174 H180 L181 F193 Y199 I206M172-F184 HydrophobicContact CB-CB 4.18Å; M172-F184 HydrophobicContact CB-CD1 4.37Å; M172-F184 HydrophobicContact CB-CD2 3.86Å; M172-F184 HydrophobicContact CB-CE2 4.37Å; M172-F184 HydrophobicContact CB-CG 3.87Å; M172-F184 HydrophobicContact CE-CD1 3.97Å; M172-F184 HydrophobicContact CE-CE1 4.06Å; M172-F184 HydrophobicContact CG-CB 3.93Å; M172-F184 HydrophobicContact CG-CD1 3.72Å; M172-F184 HydrophobicContact CG-CD2 4.12Å; M172-F184 HydrophobicContact CG-CE1 4.25Å; M172-F184 HydrophobicContact CG-CG 3.65Å; V174-F184 HydrophobicContact CG2-CD2 4.3Å; V174-F184 HydrophobicContact CG2-CE2 3.61Å; V174-F184 HydrophobicContact CG2-CZ 4.48Å; H180-F184 PolarHBondContact O-N 3.27Å; H180-F184 VanDerWaalsContact O-N 3.13Å; L181-F184 PolarHBondContact O-N 2.88Å; F184-F193 HydrophobicContact CD1-CB 3.93Å; F184-F193 HydrophobicContact CD1-CD2 4.06Å; F184-F193 HydrophobicContact CD1-CG 4.45Å; F184-F193 HydrophobicContact CD2-CD2 4.45Å; F184-F193 HydrophobicContact CE1-CB 3.48Å; F184-F193 VanDerWaalsContact CE1-CB 3.48Å; F184-F193 AromaticContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CG 4.01Å; F184-F193 HydrophobicContact CE2-CD2 4.26Å; F184-F193 HydrophobicContact CG-CD2 4.34Å; F184-F193 HydrophobicContact CZ-CB 4.15Å; F184-F193 AromaticContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CG 4.26Å; F184-Y199 HydrophobicContact CZ-CE1 4.41Å; F184-I206 HydrophobicContact CD2-CD1 3.63Å; F184-I206 HydrophobicContact CE2-CD1 3.73Å
185K94.3Very high92.1Very high67 Ų6770.3 Ų70.329%0.29137%0.369SS..BIsolated β-bridgetrans-143.7159.1-176.252.7173.1173.5160.70111.3C183 A187 Q190 K191C183-K185 VanDerWaalsContact C-N 3.31Å; C183-K185 PolarHBondContact O-N 2.82Å; K185-A187 PolarHBondContact O-N 3.13Å; K185-Q190 VanDerWaalsContact CE-OE1 3.29Å; K185-K191 CarbonylContact C-O 3.51Å; K185-K191 WeakPolarHBondContact CA-O 3.49Å; K185-K191 WeakPolarHBondContact CB-O 3.48Å
186C93.8Very high92.1Very high1 Ų166.6 Ų66.61%0.00737%0.374CS..  trans-62.3131.2179.7-173.70000111.1A188 C189 Q190 K191 F193 I206 C208 D211C186-A188 VanDerWaalsContact C-N 3.28Å; C186-A188 PolarHBondContact O-N 3Å; C186-A188 PolarHBondContact SG-N 3.31Å; C186-C189 VanDerWaalsContact CB-SG 3.5Å; C186-Q190 WeakPolarHBondContact O-CA 3.44Å; C186-Q190 PolarHBondContact O-N 2.95Å; C186-Q190 PolarHBondContact O-NE2 3.23Å; C186-K191 PolarHBondContact N-O 3.24Å; C186-F193 HydrophobicContact CB-CZ 4.05Å; C186-I206 CarbonylContact C-O 3.53Å; C186-I206 VanDerWaalsContact CA-O 3.26Å; C186-I206 WeakPolarHBondContact CA-O 3.38Å; C186-C208 HydrophobicContact CB-CB 4.39Å; C186-C208 PolarHBondContact SG-N 3.45Å; C186-C208 VanDerWaalsContact SG-SG 3.7Å; C186-D211 PolarHBondContact SG-OD2 2.83Å
187A91.7Very high92.2Very high24 Ų2462.7 Ų62.720%0.19835%0.353CS..THydrogen-bonded Turntrans-62.6-35.5175.900000112.4K185 Q190 D205 I206 W215K185-A187 PolarHBondContact O-N 3.13Å; A187-Q190 PolarHBondContact O-NE2 3.43Å; A187-D205 HydrophobicContact CB-CB 3.93Å; A187-I206 PolarHBondContact N-O 3.42Å; A187-W215 HydrophobicContact CB-CH2 3.65Å; A187-W215 HydrophobicContact CB-CZ2 3.92Å; A187-W215 HydrophobicContact CB-CZ3 4.17Å
188A90.5Very high92.3Very high41 Ų4167.8 Ų67.834%0.33937%0.371SS..THydrogen-bonded Turntrans-75.2-79176.800000112.2C186 Q190 D211 W215C186-A188 VanDerWaalsContact C-N 3.28Å; C186-A188 PolarHBondContact O-N 3Å; C186-A188 PolarHBondContact SG-N 3.31Å; A188-Q190 VanDerWaalsContact C-N 3.3Å; A188-Q190 PolarHBondContact O-N 3.12Å; A188-D211 HydrophobicContact CB-CB 3.75Å; A188-D211 WeakPolarHBondContact CB-OD2 3.21Å; A188-W215 HydrophobicContact CB-CE3 3.68Å; A188-W215 HydrophobicContact CB-CZ3 4.07Å
189C92.4Very high92.3Very high65 Ų6570.7 Ų70.744%0.43938%0.378SS..THydrogen-bonded Turntrans-77.8-0.6-175.466.60000116.3C186 K191 D211C186-C189 VanDerWaalsContact CB-SG 3.5Å; C189-K191 PolarHBondContact O-N 3.32Å; C189-K191 WeakPolarHBondContact SG-CB 3.48Å; C189-D211 WeakPolarHBondContact CB-OD2 3.42Å; C189-D211 PolarHBondContact N-OD2 3.39Å; C189-D211 VanDerWaalsContact N-OD2 3.13Å; C189-D211 PolarHBondContact SG-OD2 2.95Å
190Q92.6Very high92.2Very high98 Ų9874 Ų7446%0.45840%0.395SS..  trans58.210.7-178.3-61.1-68-51.200115.5K185 C186 A187 A188K185-Q190 VanDerWaalsContact CE-OE1 3.29Å; C186-Q190 WeakPolarHBondContact O-CA 3.44Å; C186-Q190 PolarHBondContact O-N 2.95Å; C186-Q190 PolarHBondContact O-NE2 3.23Å; A187-Q190 PolarHBondContact O-NE2 3.43Å; A188-Q190 VanDerWaalsContact C-N 3.3Å; A188-Q190 PolarHBondContact O-N 3.12Å
191K92.9Very high92.1Very high114 Ų11474.2 Ų74.250%0.49640%0.397SS..PPolyproline II helixtrans-71.5135.1177.1-171.9-162.1168.7-158.40111.3K185 C186 C189 D197K185-K191 CarbonylContact C-O 3.51Å; K185-K191 WeakPolarHBondContact CA-O 3.49Å; K185-K191 WeakPolarHBondContact CB-O 3.48Å; C186-K191 PolarHBondContact N-O 3.24Å; C189-K191 PolarHBondContact O-N 3.32Å; C189-K191 WeakPolarHBondContact SG-CB 3.48Å; K191-D197 IonicContact NZ-OD2 3.88Å
192H92.8Very high92Very high106 Ų10671.4 Ų71.449%0.49138%0.382SS..BIsolated β-bridgetrans-69.6142.7170-64.490.7000111.5
193F91.6Very high91.7Very high24 Ų2469.5 Ų69.511%0.10538%0.377CS..PPolyproline II helixtrans-83.6139.5179.2-66.8-77000112.6F184 C186 D197 I206 C208F184-F193 HydrophobicContact CD1-CB 3.93Å; F184-F193 HydrophobicContact CD1-CD2 4.06Å; F184-F193 HydrophobicContact CD1-CG 4.45Å; F184-F193 HydrophobicContact CD2-CD2 4.45Å; F184-F193 HydrophobicContact CE1-CB 3.48Å; F184-F193 VanDerWaalsContact CE1-CB 3.48Å; F184-F193 AromaticContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CD2 3.91Å; F184-F193 HydrophobicContact CE1-CG 4.01Å; F184-F193 HydrophobicContact CE2-CD2 4.26Å; F184-F193 HydrophobicContact CG-CD2 4.34Å; F184-F193 HydrophobicContact CZ-CB 4.15Å; F184-F193 AromaticContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CD2 3.99Å; F184-F193 HydrophobicContact CZ-CG 4.26Å; C186-F193 HydrophobicContact CB-CZ 4.05Å; F193-D197 HydrophobicContact CD1-CB 4.05Å; F193-I206 HydrophobicContact CD2-CG2 4.34Å; F193-I206 HydrophobicContact CE2-CB 4.04Å; F193-I206 HydrophobicContact CE2-CG2 3.42Å; F193-I206 VanDerWaalsContact CE2-CG2 3.42Å; F193-I206 HydrophobicContact CZ-CB 4.37Å; F193-I206 HydrophobicContact CZ-CG2 3.55Å; F193-C208 HydrophobicContact CE1-CB 3.6Å; F193-C208 HydrophobicContact CZ-CB 4.19Å
194C91.2Very high91.5Very high87 Ų8770.4 Ų70.459%0.58838%0.383SS*.PPolyproline II helixtrans-95.7164.7170.5-69.80000112.3G196 D197C194-G196 PolarHBondContact O-N 2.97Å; C194-D197 PolarHBondContact N-OD2 2.85Å; C194-D197 WeakPolarHBondContact O-CB 3.28Å; C194-D197 PolarHBondContact O-N 3.35Å; C194-D197 VanDerWaalsContact O-N 3.12Å
195V90.6Very high91.4Very high158 Ų15872.7 Ų72.796%0.95840%0.397SS*.THydrogen-bonded Turntrans-65.9119.3174.6-1800000109.3
196G90.3Very high91.3Very high74 Ų7469.8 Ų69.876%0.76338%0.384SS*.THydrogen-bonded Turntrans102.2-10.6-17600000114.4C194C194-G196 PolarHBondContact O-N 2.97Å
197D90.8Very high91.3Very high53 Ų5369.7 Ų69.728%0.28338%0.384SS..  trans-64.8138175.6-74.22.4000111.1K191 F193 C194K191-D197 IonicContact NZ-OD2 3.88Å; F193-D197 HydrophobicContact CD1-CB 4.05Å; C194-D197 PolarHBondContact N-OD2 2.85Å; C194-D197 WeakPolarHBondContact O-CB 3.28Å; C194-D197 PolarHBondContact O-N 3.35Å; C194-D197 VanDerWaalsContact O-N 3.12Å
198R92.4Very high91.4Very high171 Ų17169 Ų6965%0.64538%0.377SS*.  trans-87.8139.1174-74.9176.6170.9169.70.3111.2E209R198-E209 HydrophobicContact CB-CB 3.9Å; R198-E209 HydrophobicContact CB-CG 4.31Å; R198-E209 VanDerWaalsContact CD-CD 3.4Å; R198-E209 WeakPolarHBondContact CD-OE1 3.08Å; R198-E209 VanDerWaalsContact CD-OE2 3.28Å; R198-E209 WeakPolarHBondContact CD-OE2 3.39Å; R198-E209 IonicContact CZ-OE1 2.75Å; R198-E209 IonicContact NE-OE1 3.96Å; R198-E209 IonicContact NH1-OE1 2.72Å; R198-E209 PolarHBondContact NH1-OE1 3.47Å; R198-E209 PolarHBondContact O-N 3.38Å
199Y92.8Very high91.4Very high102 Ų10271.4 Ų71.440%0.438%0.381SS..EExtended strand (participates in β ladder)trans-147.7158.6-179.563.2-95.2000111.6V174 F184 I206 V207V174-Y199 HydrophobicContact CG1-CE2 3.58Å; F184-Y199 HydrophobicContact CZ-CE1 4.41Å; Y199-I206 HydrophobicContact CD2-CG2 3.67Å; Y199-I206 HydrophobicContact CE2-CG2 4.49Å; Y199-I206 HydrophobicContact CG-CG2 3.84Å; Y199-V207 CarbonylContact C-O 3.49Å; Y199-V207 WeakPolarHBondContact CA-O 3.26Å; Y199-V207 WeakPolarHBondContact CB-O 3.32Å
200L91.6Very high91.4Very high70 Ų7075.2 Ų75.237%0.36639%0.393SS..EExtended strand (participates in β ladder)trans-113.5136.6169.4-172.564.6000109I202 I206 V207 I212L200-I202 HydrophobicContact CD2-CD1 3.97Å; L200-I202 HydrophobicContact CD2-CG1 4Å; L200-I202 HydrophobicContact CG-CG1 4.07Å; L200-I206 WeakPolarHBondContact O-CA 3.5Å; L200-V207 PolarHBondContact N-O 2.85Å; L200-V207 PolarHBondContact O-N 3.04Å; L200-I212 HydrophobicContact CB-CD1 3.7Å; L200-I212 HydrophobicContact CB-CG1 3.93Å; L200-I212 HydrophobicContact CD2-CD1 4.42Å; L200-I212 HydrophobicContact CD2-CG1 4.41Å; L200-I212 HydrophobicContact CD2-CG2 3.88Å
201L91.3Very high91.3Very high26 Ų2672 Ų7214%0.13638%0.379CS..EExtended strand (participates in β ladder)trans-103114.7172.1178.675.3000109V174 K175 Y179 D205 I206V174-L201 HydrophobicContact CG1-CB 4.29Å; V174-L201 HydrophobicContact CG1-CD2 3.97Å; K175-L201 HydrophobicContact CB-CD2 4.48Å; K175-L201 HydrophobicContact CD-CD2 4.08Å; K175-L201 HydrophobicContact CG-CD2 4.31Å; Y179-L201 WeakPolarHBondContact OH-CD1 3.5Å; L201-D205 WeakPolarHBondContact CA-O 3.42Å; L201-I206 HydrophobicContact CD1-CG1 3.61Å
202I88.8Confident91.1Very high22 Ų2268.8 Ų68.811%0.11337%0.367CS..EExtended strand (participates in β ladder)trans-113.7115175.8-60.1172.7000107L200 S204 D205 T216 M221L200-I202 HydrophobicContact CD2-CD1 3.97Å; L200-I202 HydrophobicContact CD2-CG1 4Å; L200-I202 HydrophobicContact CG-CG1 4.07Å; I202-S204 PolarHBondContact O-N 3.08Å; I202-D205 PolarHBondContact N-O 3.05Å; I202-D205 PolarHBondContact O-N 2.91Å; I202-T216 HydrophobicContact CD1-CG2 3.84Å; I202-M221 HydrophobicContact CD1-SD 4.37Å; I202-M221 HydrophobicContact CG2-CE 3.61Å; I202-M221 HydrophobicContact CG2-SD 3.5Å; I202-M221 WeakPolarHBondContact CG2-SD 3.1Å
203N87.3Confident90.8Very high120 Ų12071.3 Ų71.364%0.64237%0.373SS*.THydrogen-bonded Turntrans52.4-102.7-173.9-61.7-38.4000112.9K177K177-N203 WeakPolarHBondContact CD-O 3.34Å; K177-N203 VanDerWaalsContact CE-O 3.3Å; K177-N203 WeakPolarHBondContact CE-O 3.32Å; K177-N203 PolarHBondContact NZ-O 2.86Å
204S89.4Confident90.5Very high36 Ų3676.5 Ų76.525%0.25240%0.398SS..THydrogen-bonded Turntrans-103.4-13.6174.5-59.70000113.3A159 K177 Y179 I202A159-S204 WeakPolarHBondContact O-CB 3.42Å; K177-S204 VanDerWaalsContact NZ-CA 3.33Å; K177-S204 PolarHBondContact NZ-OG 2.82Å; Y179-S204 WeakPolarHBondContact CE1-O 3.14Å; Y179-S204 PolarHBondContact OH-O 2.85Å; I202-S204 PolarHBondContact O-N 3.08Å
205D90.7Very high90.2Very high67 Ų6774.9 Ų74.936%0.35838%0.379SS..EExtended strand (participates in β ladder)trans-96.7128-164-57.6-58.9000109.6A187 L201 I202 W215A187-D205 HydrophobicContact CB-CB 3.93Å; L201-D205 WeakPolarHBondContact CA-O 3.42Å; I202-D205 PolarHBondContact N-O 3.05Å; I202-D205 PolarHBondContact O-N 2.91Å; D205-W215 HydrophobicContact CB-CZ2 4.24Å
206I92.1Very high89.9Confident6 Ų668.1 Ų68.13%0.03134%0.338CS..EExtended strand (participates in β ladder)trans-103.2123.8-179.7-53.1157.9000106.4V174 Y179 F184 C186 A187 F193 Y199 L200 L201V174-I206 HydrophobicContact CG2-CD1 4.24Å; Y179-I206 HydrophobicContact CD1-CD1 4.28Å; Y179-I206 HydrophobicContact CD2-CD1 4.16Å; Y179-I206 HydrophobicContact CE1-CD1 4.05Å; Y179-I206 HydrophobicContact CE2-CD1 3.92Å; Y179-I206 HydrophobicContact CG-CD1 4.34Å; F184-I206 HydrophobicContact CD2-CD1 3.63Å; F184-I206 HydrophobicContact CE2-CD1 3.73Å; C186-I206 CarbonylContact C-O 3.53Å; C186-I206 VanDerWaalsContact CA-O 3.26Å; C186-I206 WeakPolarHBondContact CA-O 3.38Å; A187-I206 PolarHBondContact N-O 3.42Å; F193-I206 HydrophobicContact CD2-CG2 4.34Å; F193-I206 HydrophobicContact CE2-CB 4.04Å; F193-I206 HydrophobicContact CE2-CG2 3.42Å; F193-I206 VanDerWaalsContact CE2-CG2 3.42Å; F193-I206 HydrophobicContact CZ-CB 4.37Å; F193-I206 HydrophobicContact CZ-CG2 3.55Å; Y199-I206 HydrophobicContact CD2-CG2 3.67Å; Y199-I206 HydrophobicContact CE2-CG2 4.49Å; Y199-I206 HydrophobicContact CG-CG2 3.84Å; L200-I206 WeakPolarHBondContact O-CA 3.5Å; L201-I206 HydrophobicContact CD1-CG1 3.61Å
207V92.9Very high89.6Confident0 Ų071.2 Ų71.20%033%0.331CS..EExtended strand (participates in β ladder)trans-121.5132.1-175.8-173.60000108.9Y199 L200 D211 I212 W215Y199-V207 CarbonylContact C-O 3.49Å; Y199-V207 WeakPolarHBondContact CA-O 3.26Å; Y199-V207 WeakPolarHBondContact CB-O 3.32Å; L200-V207 PolarHBondContact N-O 2.85Å; L200-V207 PolarHBondContact O-N 3.04Å; V207-D211 HydrophobicContact CG1-CB 3.7Å; V207-I212 HydrophobicContact CG1-CG1 4.33Å; V207-W215 HydrophobicContact CG1-CB 3.96Å; V207-W215 HydrophobicContact CG1-CG 4.17Å; V207-W215 HydrophobicContact CG2-CB 4.47Å; V207-W215 HydrophobicContact CG2-CD2 3.97Å; V207-W215 HydrophobicContact CG2-CG 3.8Å
208C94Very high89.2Confident9 Ų975.1 Ų75.16%0.06135%0.35CS..EExtended strand (participates in β ladder)trans-74155179.266.80000111.8C186 F193 Q210 D211 I212C186-C208 HydrophobicContact CB-CB 4.39Å; C186-C208 PolarHBondContact SG-N 3.45Å; C186-C208 VanDerWaalsContact SG-SG 3.7Å; F193-C208 HydrophobicContact CE1-CB 3.6Å; F193-C208 HydrophobicContact CZ-CB 4.19Å; C208-Q210 PolarHBondContact O-N 3.25Å; C208-Q210 VanDerWaalsContact O-N 3.08Å; C208-D211 PolarHBondContact O-N 3Å; C208-D211 PolarHBondContact SG-OD2 3.49Å; C208-I212 WeakPolarHBondContact O-CG1 3.21Å; C208-I212 PolarHBondContact O-N 3.42Å
209E91.8Very high88.7Confident91 Ų9170.7 Ų70.743%0.42534%0.339SS..THydrogen-bonded Turntrans-49.5-37.8-176.4-169.1173.8-144.500114R198R198-E209 HydrophobicContact CB-CB 3.9Å; R198-E209 HydrophobicContact CB-CG 4.31Å; R198-E209 VanDerWaalsContact CD-CD 3.4Å; R198-E209 WeakPolarHBondContact CD-OE1 3.08Å; R198-E209 VanDerWaalsContact CD-OE2 3.28Å; R198-E209 WeakPolarHBondContact CD-OE2 3.39Å; R198-E209 IonicContact CZ-OE1 2.75Å; R198-E209 IonicContact NE-OE1 3.96Å; R198-E209 IonicContact NH1-OE1 2.72Å; R198-E209 PolarHBondContact NH1-OE1 3.47Å; R198-E209 PolarHBondContact O-N 3.38Å
210Q90.9Very high87.5Confident145 Ų14568.9 Ų68.968%0.67835%0.352SS*.THydrogen-bonded Turntrans-63.7-41.1175.9-75.572.428.800113.5C208C208-Q210 PolarHBondContact O-N 3.25Å; C208-Q210 VanDerWaalsContact O-N 3.08Å
211D90.8Very high86.2Confident32 Ų3270.3 Ų70.317%0.17136%0.358CS..THydrogen-bonded Turntrans-90.8-9-172-61.1-15.9000112.9C186 A188 C189 V207 C208 Y213 E214 W215C186-D211 PolarHBondContact SG-OD2 2.83Å; A188-D211 HydrophobicContact CB-CB 3.75Å; A188-D211 WeakPolarHBondContact CB-OD2 3.21Å; C189-D211 WeakPolarHBondContact CB-OD2 3.42Å; C189-D211 PolarHBondContact N-OD2 3.39Å; C189-D211 VanDerWaalsContact N-OD2 3.13Å; C189-D211 PolarHBondContact SG-OD2 2.95Å; V207-D211 HydrophobicContact CG1-CB 3.7Å; C208-D211 PolarHBondContact O-N 3Å; C208-D211 PolarHBondContact SG-OD2 3.49Å; D211-Y213 VanDerWaalsContact C-N 3.33Å; D211-Y213 PolarHBondContact O-N 3.42Å; D211-E214 PolarHBondContact O-N 2.92Å; D211-W215 VanDerWaalsContact O-CB 3.23Å; D211-W215 WeakPolarHBondContact O-CB 3.45Å; D211-W215 PolarHBondContact O-N 2.92Å
212I89.2Confident84.5Confident46 Ų4676.9 Ų76.924%0.23639%0.391CS..Hα-helixtrans-52.1-50.7-175.4-69.8172.8000111.3L200 V207 C208 W215 T216L200-I212 HydrophobicContact CB-CD1 3.7Å; L200-I212 HydrophobicContact CB-CG1 3.93Å; L200-I212 HydrophobicContact CD2-CD1 4.42Å; L200-I212 HydrophobicContact CD2-CG1 4.41Å; L200-I212 HydrophobicContact CD2-CG2 3.88Å; V207-I212 HydrophobicContact CG1-CG1 4.33Å; C208-I212 WeakPolarHBondContact O-CG1 3.21Å; C208-I212 PolarHBondContact O-N 3.42Å; I212-W215 PolarHBondContact O-N 3.32Å; I212-T216 HydrophobicContact CG2-CG2 4.24Å; I212-T216 WeakPolarHBondContact O-CG2 3.23Å; I212-T216 PolarHBondContact O-N 2.93Å; I212-T216 PolarHBondContact O-OG1 3.41Å
213Y86.2Confident84.3Confident159 Ų15979.7 Ų79.762%0.62441%0.405SS*.Hα-helixtrans-66.4-41.9-171.2179.7-104.2000113D211 T216 K217D211-Y213 VanDerWaalsContact C-N 3.33Å; D211-Y213 PolarHBondContact O-N 3.42Å; Y213-T216 PolarHBondContact O-OG1 3.42Å; Y213-K217 WeakPolarHBondContact O-CB 3.18Å; Y213-K217 PolarHBondContact O-N 3.29Å
214E85.4Confident84.1Confident133 Ų13377.5 Ų77.562%0.62139%0.393SS*.Hα-helixtrans-70.5-42.4176.7-61.1-166162.700110.8D211 K217 I218D211-E214 PolarHBondContact O-N 2.92Å; E214-K217 PolarHBondContact O-N 3.38Å; E214-I218 WeakPolarHBondContact O-CB 3.33Å; E214-I218 WeakPolarHBondContact O-CD1 3.48Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.25Å; E214-I218 PolarHBondContact O-N 3.19Å
215W84.4Confident83.8Confident53 Ų5379.8 Ų79.820%0.20140%0.401CS..Hα-helixtrans-62.6-46.7179.9-175.6-89.4000113A187 A188 D205 V207 D211 I212 K217 I218 N219A187-W215 HydrophobicContact CB-CH2 3.65Å; A187-W215 HydrophobicContact CB-CZ2 3.92Å; A187-W215 HydrophobicContact CB-CZ3 4.17Å; A188-W215 HydrophobicContact CB-CE3 3.68Å; A188-W215 HydrophobicContact CB-CZ3 4.07Å; D205-W215 HydrophobicContact CB-CZ2 4.24Å; V207-W215 HydrophobicContact CG1-CB 3.96Å; V207-W215 HydrophobicContact CG1-CG 4.17Å; V207-W215 HydrophobicContact CG2-CB 4.47Å; V207-W215 HydrophobicContact CG2-CD2 3.97Å; V207-W215 HydrophobicContact CG2-CG 3.8Å; D211-W215 VanDerWaalsContact O-CB 3.23Å; D211-W215 WeakPolarHBondContact O-CB 3.45Å; D211-W215 PolarHBondContact O-N 2.92Å; I212-W215 PolarHBondContact O-N 3.32Å; W215-K217 VanDerWaalsContact C-N 3.33Å; W215-K217 PolarHBondContact O-N 2.97Å; W215-I218 PolarHBondContact O-N 3.13Å; W215-N219 VanDerWaalsContact CE2-ND2 3.33Å; W215-N219 PolarHBondContact NE1-ND2 3.01Å; W215-N219 WeakPolarHBondContact O-CB 3.37Å; W215-N219 PolarHBondContact O-N 3.19Å; W215-N219 PolarHBondContact O-ND2 3.24Å
216T84.6Confident83.4Confident16 Ų1680.6 Ų80.610%0.09840%0.403CS..Hα-helixtrans-68.8-33.4-178.951.60000112I202 I212 Y213 G220 M221 I222I202-T216 HydrophobicContact CD1-CG2 3.84Å; I212-T216 HydrophobicContact CG2-CG2 4.24Å; I212-T216 WeakPolarHBondContact O-CG2 3.23Å; I212-T216 PolarHBondContact O-N 2.93Å; I212-T216 PolarHBondContact O-OG1 3.41Å; Y213-T216 PolarHBondContact O-OG1 3.42Å; T216-G220 PolarHBondContact O-N 3.49Å; T216-M221 PolarHBondContact O-N 2.95Å; T216-I222 WeakPolarHBondContact OG1-CD1 3.48Å
217K84.8Confident82.9Confident138 Ų13885.3 Ų85.360%0.643%0.426SS*.Hα-helixtrans-67.7-42.5173-174.8178.9179.7-178.10112.8Y213 E214 W215 G220Y213-K217 WeakPolarHBondContact O-CB 3.18Å; Y213-K217 PolarHBondContact O-N 3.29Å; E214-K217 PolarHBondContact O-N 3.38Å; W215-K217 VanDerWaalsContact C-N 3.33Å; W215-K217 PolarHBondContact O-N 2.97Å; K217-G220 PolarHBondContact O-N 3.4Å
218I82.7Confident82.2Confident136 Ų13690.9 Ų90.970%0.69746%0.455SS*.Hα-helixtrans-68-38.8178.3-70163.7000111.2E214 W215 G220E214-I218 WeakPolarHBondContact O-CB 3.33Å; E214-I218 WeakPolarHBondContact O-CD1 3.48Å; E214-I218 VanDerWaalsContact O-CG1 3.25Å; E214-I218 WeakPolarHBondContact O-CG1 3.25Å; E214-I218 PolarHBondContact O-N 3.19Å; W215-I218 PolarHBondContact O-N 3.13Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 2.96Å
219N80.4Confident81.3Confident78 Ų7896.8 Ų96.842%0.41748%0.483SS..THydrogen-bonded Turntrans-86.29.3-179.5-68.9-81.8000113.9W215 M221W215-N219 VanDerWaalsContact CE2-ND2 3.33Å; W215-N219 PolarHBondContact NE1-ND2 3.01Å; W215-N219 WeakPolarHBondContact O-CB 3.37Å; W215-N219 PolarHBondContact O-N 3.19Å; W215-N219 PolarHBondContact O-ND2 3.24Å; N219-M221 VanDerWaalsContact C-N 3.32Å; N219-M221 HydrophobicContact CB-CG 4.49Å; N219-M221 PolarHBondContact O-N 3.28Å
220G68.9Low80.5Confident64 Ų6497.2 Ų97.266%0.6649%0.487SS*.THydrogen-bonded Turntrans62.732.3173.600000114.8T216 K217 I218T216-G220 PolarHBondContact O-N 3.49Å; K217-G220 PolarHBondContact O-N 3.4Å; I218-G220 VanDerWaalsContact C-N 3.28Å; I218-G220 PolarHBondContact O-N 2.96Å
221M64.1Low79.7Confident100 Ų10093.3 Ų93.349%0.49347%0.472SS..  trans-95.92.2179.6-61.5-168.9177.900113.6I202 T216 N219I202-M221 HydrophobicContact CD1-SD 4.37Å; I202-M221 HydrophobicContact CG2-CE 3.61Å; I202-M221 HydrophobicContact CG2-SD 3.5Å; I202-M221 WeakPolarHBondContact CG2-SD 3.1Å; T216-M221 PolarHBondContact O-N 2.95Å; N219-M221 VanDerWaalsContact C-N 3.32Å; N219-M221 HydrophobicContact CB-CG 4.49Å; N219-M221 PolarHBondContact O-N 3.28Å
222I54.8Low78.7Confident164 Ų16498.8 Ų98.884%0.84150%0.499SS*.  trans-152.80172.236.6171.6000109.1T216T216-I222 WeakPolarHBondContact OG1-CD1 3.48Å

Retrieved 222 of 222 residues in 38.7 ms (Link to these results)