A0A087WZ19_HUMAN Loading...

BRCA1 associated RING domain 1

AlphaFold DB , UniProt , Accession A0A087WZ19, Species HUMAN (Homo sapiens, Human), Gene BARD1, Length 264 aa.

Structure Viewer
Loading PAE data...
(Predicted Aligned Error values between residue pairs)
Error loading PAE data: please refresh the page.

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
1M38.9Very low43.4Very low235 Ų235172.7 Ų172.7100%1.15883%0.825SS**  0135.80-71.5-67.5-174.900108.2
2P44.8Very low42.6Very low119 Ų119167.7 Ų167.777%0.77382%0.817SS**  cis-110.5144.5-30.828.7-10.7000110.2
3D44.2Very low42.8Very low135 Ų135172.6 Ų172.672%0.72282%0.821SS**  53.6108.982.2-151.76.4000115.4
4N38.3Very low42.5Very low149 Ų149171.6 Ų171.680%0.79782%0.821SS**  trans-155.676.1150.9-140.4-0.2000111Q6N4-Q6 PolarHBondContact O-N 3.42Å
5R46Very low42Very low228 Ų228175.5 Ų175.586%0.8682%0.824SS**  trans-74.2109.6162.6-72.8-180-176.4177.12.6109.4
6Q46.2Very low41.9Very low172 Ų172170.6 Ų170.680%0.80482%0.815SS**  trans-78.9139164-79.3179.2-13.800110.8N4N4-Q6 PolarHBondContact O-N 3.42Å
7P43.2Very low41.8Very low122 Ų122165.1 Ų165.179%0.79281%0.813SS**  trans-77.7131.1-176.730.5-32.9000111.5N9P7-N9 PolarHBondContact O-N 2.68Å; P7-N9 VanDerWaalsContact O-N 3.08Å
8R44.2Very low41.6Very low219 Ų219164 Ų16483%0.82681%0.811SS**  trans-66.2104.2166.4-84.6-179170.9177.9-3.6109.1R10R8-R10 PolarHBondContact O-N 3.12Å
9N40.6Very low41.4Very low147 Ų147164.9 Ų164.979%0.78681%0.813SS**  trans-69.293.2171.2-157.44.6000109.5P7 Q11P7-N9 PolarHBondContact O-N 2.68Å; P7-N9 VanDerWaalsContact O-N 3.08Å; N9-Q11 PolarHBondContact O-N 2.91Å
10R47.5Very low41.2Very low213 Ų213163 Ų16380%0.80481%0.814SS**  trans-86.592.1172.4-78.6-176.4174.3173.8-1.2108.8R8R8-R10 PolarHBondContact O-N 3.12Å
11Q43.8Very low41Very low161 Ų161166.9 Ų166.975%0.75282%0.819SS**  trans-70.1130.6163.8-77.4-179.6-1800109.6N9 R13N9-Q11 PolarHBondContact O-N 2.91Å; Q11-R13 PolarHBondContact O-N 2.75Å
12P33.9Very low41.1Very low112 Ų112161.6 Ų161.673%0.72781%0.805SS**  trans-69.5123.7171.524.5-27000109.6I14P12-I14 PolarHBondContact O-N 3.47Å
13R45.1Very low40.7Very low232 Ų232160 Ų16088%0.87580%0.802SS**  trans-69.498.8170.4-79.1-178.8173.7172.4-3.6109Q11 R15Q11-R13 PolarHBondContact O-N 2.75Å; R13-R15 PolarHBondContact O-N 3.17Å
14I38.4Very low40.6Very low159 Ų159159.4 Ų159.482%0.81581%0.806SS**  trans-70.3107.3165.6-59.2173.2000106.7P12 S16P12-I14 PolarHBondContact O-N 3.47Å; I14-S16 PolarHBondContact O-N 2.73Å
15R35Very low40.8Very low230 Ų230156.9 Ų156.987%0.86881%0.805SS**  trans-81.5105.5171.6-73.2-174.4177-170.5-0.8108.4R13R13-R15 PolarHBondContact O-N 3.17Å
16S40.9Very low40.6Very low97 Ų97154.9 Ų154.968%0.67881%0.808SS**  trans-73.8122.7166.4-177.30000108.9I14 N18I14-S16 PolarHBondContact O-N 2.73Å; S16-N18 PolarHBondContact O-N 3.34Å; S16-N18 VanDerWaalsContact O-N 3.08Å
17G39.9Very low40.5Very low76 Ų76154.6 Ų154.678%0.78481%0.807SS**SBendtrans-76.719.7-171.500000116.4
18N37.2Very low40.4Very low146 Ų146154.3 Ų154.378%0.78181%0.805SS**  trans-122.336.6-170.8-77.91000114.1S16S16-N18 PolarHBondContact O-N 3.34Å; S16-N18 VanDerWaalsContact O-N 3.08Å
19E37.8Very low40.4Very low181 Ų181150.4 Ų150.485%0.84680%0.8SS**PPolyproline II helixtrans-91.7119.4163-78.7-175.7153.400110R21E19-R21 PolarHBondContact O-N 3.31Å
20P38.2Very low40.9Very low127 Ų127147.8 Ų147.883%0.82581%0.808SS**PPolyproline II helixtrans-66.8124.8174.76.9-0.3000110S22P20-S22 PolarHBondContact O-N 2.81Å
21R36Very low41.2Very low244 Ų244146.6 Ų146.692%0.92180%0.804SS**PPolyproline II helixtrans-60.2126.2166.9-85.6-175.8174.3-158.6-1.4109.1E19 A23E19-R21 PolarHBondContact O-N 3.31Å; R21-A23 PolarHBondContact O-N 2.63Å
22S41.9Very low41.9Very low124 Ų124141.3 Ų141.387%0.86779%0.792SS**  trans-61.8104.5165.640.90000109.4P20P20-S22 PolarHBondContact O-N 2.81Å
23A37.5Very low43.7Very low85 Ų85140.8 Ų140.870%0.70280%0.797SS**  trans-74.8144.4171.100000109.7R21 A25R21-A23 PolarHBondContact O-N 2.63Å; A23-A25 PolarHBondContact O-N 3.41Å
24P40.9Very low45.4Very low124 Ų124135.7 Ų135.781%0.80578%0.778SS**  trans-63.3137.3175.922.9-26.8000110.2M26P24-M26 PolarHBondContact O-N 2.99Å; P24-M26 VanDerWaalsContact O-N 3.17Å
25A42.5Very low47.3Very low96 Ų96128.9 Ų128.979%0.79375%0.746SS**  trans-59.9115.2177.500000109.9A23 E27A23-A25 PolarHBondContact O-N 3.41Å; A25-E27 PolarHBondContact O-N 2.94Å
26M41.4Very low49.5Very low186 Ų186124.2 Ų124.292%0.91673%0.733SS**  trans-75.7117.1165.8-85.6-173.7-17700108.4P24P24-M26 PolarHBondContact O-N 2.99Å; P24-M26 VanDerWaalsContact O-N 3.17Å
27E45.5Very low51.6Low166 Ų166121.9 Ų121.978%0.77672%0.717SS**  trans-61141.7163-72.8-66.4134.600110A25 D29A25-E27 PolarHBondContact O-N 2.94Å; E27-D29 PolarHBondContact O-N 3.43Å; E27-D29 VanDerWaalsContact O-N 3.12Å
28P41.1Very low53.7Low116 Ų116121.6 Ų121.675%0.75369%0.692SS**  trans-80.399.3-17731.6-31.2000110.1G30P28-G30 PolarHBondContact O-N 3.23Å
29D43.7Very low56Low136 Ų136116.6 Ų116.673%0.72767%0.671SS**  trans-54.8135.5158.3-87.8-27000108.8E27 R31E27-D29 PolarHBondContact O-N 3.43Å; E27-D29 VanDerWaalsContact O-N 3.12Å; D29-R31 PolarHBondContact O-N 2.88Å
30G50.8Low58.4Low93 Ų93109.9 Ų109.996%0.95965%0.647SS**SBendtrans-6121.4-172.100000117.4P28P28-G30 PolarHBondContact O-N 3.23Å
31R53Low60.8Low188 Ų188104.5 Ų104.571%0.70961%0.611SS**SBendtrans-97.8100.9168.8-128.8-178.9-68.4-92.11.3106.9D29 A35D29-R31 PolarHBondContact O-N 2.88Å; R31-A35 HydrophobicContact CB-CB 3.76Å; R31-A35 HydrophobicContact CG-CB 3.86Å
32G59.4Low63.2Low49 Ų4996.1 Ų96.151%0.50559%0.585SS.*  trans-38.1149.9-164.900000116.7W34 A35G32-W34 PolarHBondContact O-N 3.5Å; G32-A35 WeakPolarHBondContact O-CB 2.8Å; G32-A35 PolarHBondContact O-N 3.32Å
33A71.6Confident65.5Low101 Ų10197.2 Ų97.284%0.83557%0.57SS**THydrogen-bonded Turntrans-29.2-19.7-164.900000121.1
34W81.3Confident67.9Low125 Ų12595.8 Ų95.847%0.47355%0.55SS.*THydrogen-bonded Turntrans-12916.5179.8-61.8100.3000114G32 H36 S37 R38 L115G32-W34 PolarHBondContact O-N 3.5Å; W34-H36 VanDerWaalsContact C-N 3.3Å; W34-H36 PolarHBondContact O-N 3.31Å; W34-S37 PolarHBondContact O-N 2.68Å; W34-S37 VanDerWaalsContact O-N 3.08Å; W34-R38 PolarHBondContact O-N 3.2Å; W34-L115 HydrophobicContact CB-CD2 3.78Å; W34-L115 HydrophobicContact CD2-CD2 3.91Å; W34-L115 HydrophobicContact CE3-CD2 4.01Å; W34-L115 HydrophobicContact CG-CD2 3.82Å
35A77.5Confident70.3Confident16 Ų1691.5 Ų91.513%0.13252%0.52CS..Hα-helixtrans-56.6-42.9-177.200000112.5R31 G32 R38 A39R31-A35 HydrophobicContact CB-CB 3.76Å; R31-A35 HydrophobicContact CG-CB 3.86Å; G32-A35 WeakPolarHBondContact O-CB 2.8Å; G32-A35 PolarHBondContact O-N 3.32Å; A35-R38 PolarHBondContact O-N 3.41Å; A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 3.34Å
36H82.1Confident72.5Confident132 Ų13292.2 Ų92.261%0.61151%0.505SS*.Hα-helixtrans-65.4-40.1176-64.4100.3000112.3W34 A39 A40W34-H36 VanDerWaalsContact C-N 3.3Å; W34-H36 PolarHBondContact O-N 3.31Å; H36-A39 PolarHBondContact O-N 3.06Å; H36-A40 WeakPolarHBondContact O-CB 3.4Å; H36-A40 PolarHBondContact O-N 3.13Å
37S83.8Confident74.8Confident49 Ų4989.8 Ų89.834%0.34350%0.495SS..Hα-helixtrans-68.4-40178-550000112.2W34 A40 L41W34-S37 PolarHBondContact O-N 2.68Å; W34-S37 VanDerWaalsContact O-N 3.08Å; S37-A40 PolarHBondContact O-N 3.47Å; S37-L41 WeakPolarHBondContact O-CB 3.42Å; S37-L41 PolarHBondContact O-N 3.32Å
38R84.2Confident76.9Confident69 Ų6982.2 Ų82.226%0.2646%0.46SS..Hα-helixtrans-62.9-44.8172.1-75.9-175.2-67.8-117.27.5111.9W34 A35 A40 L41 D42 L115 E119W34-R38 PolarHBondContact O-N 3.2Å; A35-R38 PolarHBondContact O-N 3.41Å; R38-A40 VanDerWaalsContact C-N 3.3Å; R38-A40 PolarHBondContact O-N 3.36Å; R38-L41 PolarHBondContact O-N 2.96Å; R38-D42 PolarHBondContact O-N 3.49Å; R38-L115 HydrophobicContact CG-CB 4.33Å; R38-L115 HydrophobicContact CG-CD1 4.13Å; R38-E119 IonicContact CZ-OE1 3.79Å; R38-E119 IonicContact NH1-OE1 2.81Å; R38-E119 PolarHBondContact NH1-OE1 3.19Å; R38-E119 IonicContact NH2-OE1 3.25Å; R38-E119 PolarHBondContact NH2-OE1 2.87Å
39A85.2Confident79.2Confident41 Ų4182.5 Ų82.534%0.33945%0.446SS..Hα-helixtrans-64-36.3176.400000112.1A35 H36 R43A35-A39 WeakPolarHBondContact O-CB 3.37Å; A35-A39 PolarHBondContact O-N 3.34Å; H36-A39 PolarHBondContact O-N 3.06Å; A39-R43 WeakPolarHBondContact O-CG 3.36Å; A39-R43 PolarHBondContact O-N 3.15Å; A39-R43 PolarHBondContact O-NH1 2.88Å
40A88Confident81.4Confident41 Ų4176.1 Ų76.134%0.33941%0.412SS..Hα-helixtrans-67.1-40173.900000112.2H36 S37 R38 R43 L44H36-A40 WeakPolarHBondContact O-CB 3.4Å; H36-A40 PolarHBondContact O-N 3.13Å; S37-A40 PolarHBondContact O-N 3.47Å; R38-A40 VanDerWaalsContact C-N 3.3Å; R38-A40 PolarHBondContact O-N 3.36Å; A40-R43 PolarHBondContact O-N 3.33Å; A40-L44 PolarHBondContact O-N 3.47Å
41L89.2Confident83.2Confident14 Ų1474.2 Ų74.27%0.07338%0.383CS..Hα-helixtrans-65-46.2177-170.664000111.4S37 R38 R43 L44 E45 C108 L111 R112 L115S37-L41 WeakPolarHBondContact O-CB 3.42Å; S37-L41 PolarHBondContact O-N 3.32Å; R38-L41 PolarHBondContact O-N 2.96Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.23Å; L41-L44 WeakPolarHBondContact O-CB 3.34Å; L41-L44 PolarHBondContact O-N 3.16Å; L41-E45 WeakPolarHBondContact O-CG 3.37Å; L41-E45 PolarHBondContact O-N 2.93Å; L41-C108 HydrophobicContact CD1-CB 4.02Å; L41-L111 HydrophobicContact CD1-CB 4.34Å; L41-L111 HydrophobicContact CD2-CB 4.45Å; L41-R112 HydrophobicContact CD2-CB 3.79Å; L41-R112 HydrophobicContact CD2-CG 4.15Å; L41-L115 HydrophobicContact CD2-CD1 4.05Å
42D85.9Confident84.8Confident68 Ų6870.9 Ų70.936%0.36437%0.371SS..Hα-helixtrans-58.3-40.2176176.464000112.4R38 E45 K46R38-D42 PolarHBondContact O-N 3.49Å; D42-E45 PolarHBondContact O-N 3.27Å; D42-K46 WeakPolarHBondContact O-CG 3.23Å; D42-K46 PolarHBondContact O-N 3.4Å; D42-K46 VanDerWaalsContact O-N 3.13Å; D42-K46 IonicContact OD1-NZ 2.83Å; D42-K46 WeakPolarHBondContact OD2-CE 3.37Å; D42-K46 IonicContact OD2-NZ 2.77Å; D42-K46 PolarHBondContact OD2-NZ 2.79Å
43R90.8Very high86.1Confident147 Ų14770.5 Ų70.556%0.55536%0.36SS*.Hα-helixtrans-62.9-44173.3-72.3-172.6-58.5-94.46.4111.9A39 A40 L41 K46 L47A39-R43 WeakPolarHBondContact O-CG 3.36Å; A39-R43 PolarHBondContact O-N 3.15Å; A39-R43 PolarHBondContact O-NH1 2.88Å; A40-R43 PolarHBondContact O-N 3.33Å; L41-R43 VanDerWaalsContact C-N 3.3Å; L41-R43 PolarHBondContact O-N 3.23Å; R43-K46 PolarHBondContact O-N 3.4Å; R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.42Å
44L88.9Confident86.8Confident55 Ų5570.1 Ų70.129%0.28835%0.347SS..Hα-helixtrans-65.3-41.2178.9-178.456.1000111.6A40 L41 K46 L47 L48 M104 C108A40-L44 PolarHBondContact O-N 3.47Å; L41-L44 WeakPolarHBondContact O-CB 3.34Å; L41-L44 PolarHBondContact O-N 3.16Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 2.9Å; L44-L47 WeakPolarHBondContact O-CB 3.27Å; L44-L47 PolarHBondContact O-N 2.85Å; L44-L47 VanDerWaalsContact O-N 3.13Å; L44-L48 HydrophobicContact CD1-CD1 4.38Å; L44-L48 HydrophobicContact CD1-CG 4.49Å; L44-L48 HydrophobicContact CG-CD1 4.19Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 3.42Å; L44-L48 VanDerWaalsContact O-N 3.13Å; L44-M104 HydrophobicContact CD1-CE 4.25Å; L44-C108 WeakPolarHBondContact CD2-SG 3.44Å
45E89.7Confident87.2Confident34 Ų3469.3 Ų69.316%0.15935%0.352CS..Hα-helixtrans-60.1-38.7175.7-71.6-177.966.800112.8L41 D42 L47 L48 R49 R112L41-E45 WeakPolarHBondContact O-CG 3.37Å; L41-E45 PolarHBondContact O-N 2.93Å; D42-E45 PolarHBondContact O-N 3.27Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.07Å; E45-L48 PolarHBondContact O-N 3.36Å; E45-R49 WeakPolarHBondContact O-CG 3.36Å; E45-R112 VanDerWaalsContact CD-CZ 3.49Å; E45-R112 VanDerWaalsContact CD-NE 3.29Å; E45-R112 IonicContact OE1-CZ 2.75Å; E45-R112 IonicContact OE1-NE 2.73Å; E45-R112 PolarHBondContact OE1-NE 3.38Å; E45-R112 VanDerWaalsContact OE1-NE 3.14Å; E45-R112 IonicContact OE1-NH2 3.34Å; E45-R112 PolarHBondContact OE1-NH2 3.41Å; E45-R112 IonicContact OE2-CZ 3.6Å; E45-R112 IonicContact OE2-NE 3.18Å; E45-R112 PolarHBondContact OE2-NE 2.89Å; E45-R112 IonicContact OE2-NH2 3.81Å; E45-R112 PolarHBondContact OE2-NH2 3.09Å
46K88.9Confident87.7Confident111 Ų11171.4 Ų71.448%0.48336%0.361SS..Hα-helixtrans-62.8-37175.5-75.1165.6177.9163.20112.2D42 R43 L44 L48D42-K46 WeakPolarHBondContact O-CG 3.23Å; D42-K46 PolarHBondContact O-N 3.4Å; D42-K46 VanDerWaalsContact O-N 3.13Å; D42-K46 IonicContact OD1-NZ 2.83Å; D42-K46 WeakPolarHBondContact OD2-CE 3.37Å; D42-K46 IonicContact OD2-NZ 2.77Å; D42-K46 PolarHBondContact OD2-NZ 2.79Å; R43-K46 PolarHBondContact O-N 3.4Å; L44-K46 VanDerWaalsContact C-N 3.3Å; L44-K46 PolarHBondContact O-N 2.9Å; K46-L48 VanDerWaalsContact C-N 3.29Å
47L89.6Confident88Confident135 Ų13565.2 Ų65.271%0.70733%0.332SS*.Hα-helixtrans-72.1-23.9176.2-63.3172.6000112.7R43 L44 E45 R49R43-L47 WeakPolarHBondContact O-CG 3.48Å; R43-L47 PolarHBondContact O-N 3.42Å; L44-L47 WeakPolarHBondContact O-CB 3.27Å; L44-L47 PolarHBondContact O-N 2.85Å; L44-L47 VanDerWaalsContact O-N 3.13Å; E45-L47 VanDerWaalsContact C-N 3.3Å; E45-L47 PolarHBondContact O-N 3.07Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.41Å
48L89.8Confident88Confident7 Ų772.6 Ų72.64%0.03735%0.352CS..THydrogen-bonded Turntrans-91.217.2178.9-65.2173.7000113.2L44 E45 K46 L57 L101 I105 C108L44-L48 HydrophobicContact CD1-CD1 4.38Å; L44-L48 HydrophobicContact CD1-CG 4.49Å; L44-L48 HydrophobicContact CG-CD1 4.19Å; L44-L48 WeakPolarHBondContact O-CG 3.24Å; L44-L48 PolarHBondContact O-N 3.42Å; L44-L48 VanDerWaalsContact O-N 3.13Å; E45-L48 PolarHBondContact O-N 3.36Å; K46-L48 VanDerWaalsContact C-N 3.29Å; L48-L57 WeakPolarHBondContact O-CD1 3.18Å; L48-L57 VanDerWaalsContact O-CG 3.24Å; L48-L57 WeakPolarHBondContact O-CG 3.28Å; L48-L57 PolarHBondContact O-N 3.4Å; L48-L101 HydrophobicContact CD2-CD2 3.9Å; L48-I105 HydrophobicContact CB-CG1 4.27Å; L48-I105 HydrophobicContact CD1-CG1 3.89Å; L48-I105 HydrophobicContact CD2-CG1 4.12Å; L48-I105 HydrophobicContact CG-CG1 4.32Å; L48-C108 HydrophobicContact CD1-CB 4.45Å
49R91Very high87.9Confident122 Ų12274.5 Ų74.546%0.4636%0.364SS..BIsolated β-bridgetrans-86.4141.4176.7-70.5178.9177.9-161.7-0.9111.5E45 L47 S51 T54 N55E45-R49 WeakPolarHBondContact O-CG 3.36Å; L47-R49 VanDerWaalsContact C-N 3.3Å; L47-R49 PolarHBondContact O-N 3.41Å; R49-S51 PolarHBondContact O-N 2.94Å; R49-T54 VanDerWaalsContact CD-O 3.27Å; R49-T54 WeakPolarHBondContact CD-O 3.46Å; R49-T54 WeakPolarHBondContact CG-O 3.18Å; R49-N55 CarbonylContact C-O 3.58Å; R49-N55 WeakPolarHBondContact CA-O 3.47Å
50C89.7Confident87.9Confident2 Ų272.6 Ų72.61%0.01435%0.348CS..  trans-64.8130.6172.6177.40000110.3R52 C53 T54 N55 L57 C71C50-R52 PolarHBondContact O-N 3.45Å; C50-R52 VanDerWaalsContact O-N 3.1Å; C50-R52 PolarHBondContact SG-N 3.09Å; C50-R52 VanDerWaalsContact SG-N 3.43Å; C50-C53 WeakPolarHBondContact CB-SG 3.28Å; C50-C53 PolarHBondContact SG-N 3.42Å; C50-T54 VanDerWaalsContact O-CA 3.24Å; C50-T54 WeakPolarHBondContact O-CA 3.45Å; C50-T54 PolarHBondContact O-N 2.7Å; C50-N55 PolarHBondContact N-O 3Å; C50-L57 HydrophobicContact CB-CD2 3.84Å; C50-L57 HydrophobicContact CB-CG 4.48Å; C50-C71 PolarHBondContact SG-N 3.13Å
51S88.6Confident87.6Confident52 Ų5271 Ų7136%0.36433%0.334SS..THydrogen-bonded Turntrans-68.2-8.7179.3-48.90000113.9R49 I69R49-S51 PolarHBondContact O-N 2.94Å; S51-I69 PolarHBondContact N-O 2.84Å; S51-I69 PolarHBondContact OG-N 3.49Å; S51-I69 PolarHBondContact OG-O 3.05Å
52R85.1Confident87.3Confident119 Ų11971.8 Ų71.845%0.44934%0.341SS..THydrogen-bonded Turntrans-106.1-55176.9-171.3176.9-178.8176.80.2113.5C50 F70 C74 C78C50-R52 PolarHBondContact O-N 3.45Å; C50-R52 VanDerWaalsContact O-N 3.1Å; C50-R52 PolarHBondContact SG-N 3.09Å; C50-R52 VanDerWaalsContact SG-N 3.43Å; R52-F70 HydrophobicContact CB-CD1 3.78Å; R52-F70 HydrophobicContact CB-CE1 4.02Å; R52-C74 HydrophobicContact CB-CB 4.32Å; R52-C74 VanDerWaalsContact CD-O 3.24Å; R52-C74 WeakPolarHBondContact CD-O 3.36Å; R52-C74 PolarHBondContact NH1-O 2.81Å; R52-C78 PolarHBondContact NH1-SG 2.97Å; R52-C78 VanDerWaalsContact NH1-SG 3.35Å
53C88.1Confident86.8Confident41 Ų4169.2 Ų69.228%0.27733%0.327SS..THydrogen-bonded Turntrans-93.8-5-175.971.10000113.8C50 N55 C74C50-C53 WeakPolarHBondContact CB-SG 3.28Å; C50-C53 PolarHBondContact SG-N 3.42Å; C53-N55 PolarHBondContact O-N 3.16Å; C53-N55 PolarHBondContact O-ND2 2.71Å; C53-C74 VanDerWaalsContact SG-SG 3.67Å
54T86.5Confident85.7Confident93 Ų9365.4 Ų65.457%0.57133%0.334SS*.  trans61.4-4.6179.972.80000116.1R49 C50R49-T54 VanDerWaalsContact CD-O 3.27Å; R49-T54 WeakPolarHBondContact CD-O 3.46Å; R49-T54 WeakPolarHBondContact CG-O 3.18Å; C50-T54 VanDerWaalsContact O-CA 3.24Å; C50-T54 WeakPolarHBondContact O-CA 3.45Å; C50-T54 PolarHBondContact O-N 2.7Å
55N88.1Confident85Confident108 Ų10864.9 Ų64.958%0.57834%0.341SS*.SBendtrans-76162.2172.3-65.8-47.7000111.1R49 C50 C53 L57R49-N55 CarbonylContact C-O 3.58Å; R49-N55 WeakPolarHBondContact CA-O 3.47Å; C50-N55 PolarHBondContact N-O 3Å; C53-N55 PolarHBondContact O-N 3.16Å; C53-N55 PolarHBondContact O-ND2 2.71Å; N55-L57 PolarHBondContact O-N 2.86Å
56I89.1Confident84.6Confident59 Ų5965 Ų6530%0.30335%0.345SS..BIsolated β-bridgetrans-55.5133.9170.2-61.8175.2000108.8I105I56-I105 HydrophobicContact CG2-CG1 4.33Å; I56-I105 HydrophobicContact CG2-CG2 3.78Å
57L87.1Confident84.2Confident3 Ų368.8 Ų68.82%0.01637%0.365CS..PPolyproline II helixtrans-53.7139.5-177.2-72.7159.3000112L48 C50 N55 P60 I69 F70 I105L48-L57 WeakPolarHBondContact O-CD1 3.18Å; L48-L57 VanDerWaalsContact O-CG 3.24Å; L48-L57 WeakPolarHBondContact O-CG 3.28Å; L48-L57 PolarHBondContact O-N 3.4Å; C50-L57 HydrophobicContact CB-CD2 3.84Å; C50-L57 HydrophobicContact CB-CG 4.48Å; N55-L57 PolarHBondContact O-N 2.86Å; L57-P60 HydrophobicContact CB-CB 4.04Å; L57-P60 HydrophobicContact CD1-CB 4.1Å; L57-P60 HydrophobicContact CD2-CB 4.3Å; L57-P60 HydrophobicContact CG-CB 4.38Å; L57-I69 HydrophobicContact CD1-CB 4.19Å; L57-I69 HydrophobicContact CD1-CG2 3.59Å; L57-I69 HydrophobicContact CD2-CB 4.42Å; L57-I69 HydrophobicContact CD2-CG2 3.79Å; L57-I69 HydrophobicContact CG-CG2 4.36Å; L57-F70 WeakPolarHBondContact CD2-O 3.42Å; L57-I105 HydrophobicContact CB-CD1 3.64Å
58R83.9Confident84.1Confident204 Ų20464.8 Ų64.877%0.7734%0.342SS*.SBendtrans-124.7122.2170.3-77.4-174.5162155.4-3.6108.2C71 S72R58-C71 PolarHBondContact N-SG 3.38Å; R58-C71 VanDerWaalsContact O-CA 3.23Å; R58-C71 WeakPolarHBondContact O-CA 3.34Å; R58-C71 VanDerWaalsContact O-CB 3.25Å; R58-C71 WeakPolarHBondContact O-CB 3.32Å; R58-S72 PolarHBondContact O-N 3.08Å
59E82.6Confident83.9Confident109 Ų10966.3 Ų66.351%0.50935%0.35SS..SBendtrans48.466.9-170.8-61.7179110.400110.5V61 S72E59-V61 WeakPolarHBondContact O-CG2 3.45Å; E59-V61 PolarHBondContact O-N 2.88Å; E59-S72 PolarHBondContact O-N 3.21Å
60P84.8Confident83.7Confident0 Ų060.5 Ų60.50%033%0.328CS..EExtended strand (participates in β ladder)trans-60.9128.7-171.322.6-32.3000111.8L57 I69 F70 I97 N98 L101 D102 I105L57-P60 HydrophobicContact CB-CB 4.04Å; L57-P60 HydrophobicContact CD1-CB 4.1Å; L57-P60 HydrophobicContact CD2-CB 4.3Å; L57-P60 HydrophobicContact CG-CB 4.38Å; P60-I69 HydrophobicContact CB-CG2 4.07Å; P60-F70 CarbonylContact C-O 3.57Å; P60-F70 WeakPolarHBondContact CA-O 3.47Å; P60-I97 WeakPolarHBondContact O-CA 3.42Å; P60-N98 WeakPolarHBondContact CG-O 3.32Å; P60-N98 PolarHBondContact O-N 3.25Å; P60-L101 HydrophobicContact CB-CB 4.05Å; P60-L101 HydrophobicContact CB-CD1 4.2Å; P60-L101 HydrophobicContact CG-CB 3.62Å; P60-D102 HydrophobicContact CG-CB 4.26Å; P60-I105 HydrophobicContact CG-CD1 4.22Å
61V83.1Confident83.7Confident8 Ų860.9 Ų60.95%0.04833%0.331CS..EExtended strand (participates in β ladder)trans-115.7134.6178-179.10000109.6E59 F70 V75 L95E59-V61 WeakPolarHBondContact O-CG2 3.45Å; E59-V61 PolarHBondContact O-N 2.88Å; V61-F70 PolarHBondContact N-O 2.61Å; V61-F70 PolarHBondContact O-N 3.01Å; V61-F70 VanDerWaalsContact O-N 3.1Å; V61-V75 HydrophobicContact CB-CG2 4.29Å; V61-V75 HydrophobicContact CG1-CG2 4.29Å; V61-V75 HydrophobicContact CG2-CG2 4.49Å; V61-L95 HydrophobicContact CG1-CB 4.48Å; V61-L95 HydrophobicContact CG1-CD2 3.53Å
62C81.3Confident83.6Confident31 Ų3160.1 Ų60.121%0.20933%0.325CS..EExtended strand (participates in β ladder)trans-107.1138.4172-59.80000109.8K96C62-K96 PolarHBondContact N-O 3.33Å
63L75.9Confident83.6Confident14 Ų1460.4 Ų60.47%0.07334%0.336CS..  trans-91.52.9-178.6-62.3-176.6000113.9G65 F70 V75 C83 A90 L95L63-G65 PolarHBondContact O-N 3.14Å; L63-F70 HydrophobicContact CD1-CD2 4.07Å; L63-F70 HydrophobicContact CD1-CE2 3.68Å; L63-F70 HydrophobicContact CG-CD2 4.22Å; L63-F70 HydrophobicContact CG-CE2 4.2Å; L63-V75 HydrophobicContact CD2-CG1 4.49Å; L63-C83 HydrophobicContact CD1-CB 4.02Å; L63-A90 HydrophobicContact CB-CB 3.84Å; L63-A90 HydrophobicContact CD1-CB 4.16Å; L63-A90 HydrophobicContact CD2-CB 4.33Å; L63-A90 HydrophobicContact CG-CB 4.33Å; L63-L95 HydrophobicContact CD2-CD2 3.48Å; L63-L95 VanDerWaalsContact CD2-CD2 3.48Å
64G68.2Low83.4Confident67 Ų6759.5 Ų59.569%0.69133%0.33SS*.SBendtrans73.5-29.8172.900000116.5
65G73.3Confident83.1Confident44 Ų4455.5 Ų55.545%0.45431%0.305SS..SBendtrans-96-8.4-177.600000116L63 T88L63-G65 PolarHBondContact O-N 3.14Å; G65-T88 WeakPolarHBondContact O-CG2 3.35Å
66C82.2Confident82.5Confident35 Ų3553.1 Ų53.124%0.23630%0.297CS..SBendtrans-152.3172-179.965.70000111.5H68 C86C66-H68 VanDerWaalsContact C-N 3.27Å; C66-H68 PolarHBondContact O-N 2.94Å; C66-C86 VanDerWaalsContact SG-SG 3.7Å
67E81.2Confident81.6Confident192 Ų19257 Ų5790%0.89732%0.318SS*.SBendtrans-81.91.2-178.9-58.6-170.8154.100114.1
68H85.9Confident80.5Confident51 Ų5158.2 Ų58.224%0.23633%0.327CS..  trans-76.9135.7-179.9-60104.1000111.7C66 F70 V85 C86C66-H68 VanDerWaalsContact C-N 3.27Å; C66-H68 PolarHBondContact O-N 2.94Å; H68-F70 HydrophobicContact CB-CE1 4.49Å; H68-F70 HydrophobicContact CB-CE2 3.54Å; H68-F70 HydrophobicContact CB-CZ 3.51Å; H68-V85 WeakPolarHBondContact NE2-CG1 3.35Å; H68-C86 VanDerWaalsContact CE1-SG 3.58Å; H68-C86 PolarHBondContact ND1-SG 3.41Å
69I86.5Confident79.6Confident38 Ų3852.6 Ų52.620%0.19531%0.311CS..EExtended strand (participates in β ladder)trans-123.6136.6-178.3-52.2160.6000108.2S51 L57 P60 L101S51-I69 PolarHBondContact N-O 2.84Å; S51-I69 PolarHBondContact OG-N 3.49Å; S51-I69 PolarHBondContact OG-O 3.05Å; L57-I69 HydrophobicContact CD1-CB 4.19Å; L57-I69 HydrophobicContact CD1-CG2 3.59Å; L57-I69 HydrophobicContact CD2-CB 4.42Å; L57-I69 HydrophobicContact CD2-CG2 3.79Å; L57-I69 HydrophobicContact CG-CG2 4.36Å; P60-I69 HydrophobicContact CB-CG2 4.07Å; I69-L101 HydrophobicContact CD1-CD1 3.76Å; I69-L101 HydrophobicContact CG1-CD1 4.43Å; I69-L101 HydrophobicContact CG2-CD1 3.9Å
70F87.4Confident78.6Confident0 Ų049.7 Ų49.70%031%0.311CS..EExtended strand (participates in β ladder)trans-131.3160.8-173.7-54.4-84.7000111.7R52 L57 P60 V61 L63 H68 C74 V75 P84 V85R52-F70 HydrophobicContact CB-CD1 3.78Å; R52-F70 HydrophobicContact CB-CE1 4.02Å; L57-F70 WeakPolarHBondContact CD2-O 3.42Å; P60-F70 CarbonylContact C-O 3.57Å; P60-F70 WeakPolarHBondContact CA-O 3.47Å; V61-F70 PolarHBondContact N-O 2.61Å; V61-F70 PolarHBondContact O-N 3.01Å; V61-F70 VanDerWaalsContact O-N 3.1Å; L63-F70 HydrophobicContact CD1-CD2 4.07Å; L63-F70 HydrophobicContact CD1-CE2 3.68Å; L63-F70 HydrophobicContact CG-CD2 4.22Å; L63-F70 HydrophobicContact CG-CE2 4.2Å; H68-F70 HydrophobicContact CB-CE1 4.49Å; H68-F70 HydrophobicContact CB-CE2 3.54Å; H68-F70 HydrophobicContact CB-CZ 3.51Å; F70-C74 HydrophobicContact CB-CB 4.33Å; F70-V75 HydrophobicContact CB-CG1 3.39Å; F70-V75 HydrophobicContact CD1-CG1 4.34Å; F70-V75 HydrophobicContact CD2-CG1 3.71Å; F70-V75 HydrophobicContact CG-CG1 3.56Å; F70-P84 HydrophobicContact CE1-CG 4.48Å; F70-P84 HydrophobicContact CZ-CG 4.42Å; F70-V85 HydrophobicContact CE1-CG2 3.85Å; F70-V85 HydrophobicContact CZ-CG2 3.86Å
71C88.7Confident77.9Confident11 Ų1155.5 Ų55.57%0.07435%0.346CS..EExtended strand (participates in β ladder)trans-70.5150.3164.3-52.70000109.8C50 R58 N73 C74 V75C50-C71 PolarHBondContact SG-N 3.13Å; R58-C71 PolarHBondContact N-SG 3.38Å; R58-C71 VanDerWaalsContact O-CA 3.23Å; R58-C71 WeakPolarHBondContact O-CA 3.34Å; R58-C71 VanDerWaalsContact O-CB 3.25Å; R58-C71 WeakPolarHBondContact O-CB 3.32Å; C71-N73 VanDerWaalsContact C-N 3.29Å; C71-N73 PolarHBondContact O-N 3.13Å; C71-C74 HydrophobicContact CB-CB 4.09Å; C71-C74 WeakPolarHBondContact O-CA 3.4Å; C71-C74 WeakPolarHBondContact O-CB 3.48Å; C71-C74 PolarHBondContact O-N 3.13Å; C71-V75 PolarHBondContact O-N 2.88Å
72S86.2Confident77.4Confident35 Ų3555.3 Ų55.325%0.24535%0.346CS..Hα-helixtrans-47.1-51.6173.4-1770000112.3R58 E59 C74 V75 S76R58-S72 PolarHBondContact O-N 3.08Å; E59-S72 PolarHBondContact O-N 3.21Å; S72-C74 PolarHBondContact O-N 3.36Å; S72-V75 VanDerWaalsContact O-CG2 3.23Å; S72-V75 WeakPolarHBondContact O-CG2 3.49Å; S72-V75 PolarHBondContact O-N 3.48Å; S72-S76 PolarHBondContact O-N 3.19Å; S72-S76 PolarHBondContact O-OG 3.47Å
73N85.1Confident77.4Confident126 Ų12653.9 Ų53.967%0.67434%0.337SS*.Hα-helixtrans-65.8-21.6178.5-62.4-10.2000114.1C71 V75C71-N73 VanDerWaalsContact C-N 3.29Å; C71-N73 PolarHBondContact O-N 3.13Å; N73-V75 VanDerWaalsContact C-N 3.3Å
74C84.1Confident77.6Confident21 Ų2155.2 Ų55.214%0.14235%0.346CS..Hα-helixtrans-81.5-10.4179.9-72.30000112.9R52 C53 F70 C71 S72R52-C74 HydrophobicContact CB-CB 4.32Å; R52-C74 VanDerWaalsContact CD-O 3.24Å; R52-C74 WeakPolarHBondContact CD-O 3.36Å; R52-C74 PolarHBondContact NH1-O 2.81Å; C53-C74 VanDerWaalsContact SG-SG 3.67Å; F70-C74 HydrophobicContact CB-CB 4.33Å; C71-C74 HydrophobicContact CB-CB 4.09Å; C71-C74 WeakPolarHBondContact O-CA 3.4Å; C71-C74 WeakPolarHBondContact O-CB 3.48Å; C71-C74 PolarHBondContact O-N 3.13Å; S72-C74 PolarHBondContact O-N 3.36Å
75V79.9Confident78.3Confident9 Ų955.2 Ų55.26%0.05533%0.332CS..Hα-helixtrans-116.4-5.5179.3-68.60000113.3V61 L63 F70 C71 S72 N73 D77 C78 I79V61-V75 HydrophobicContact CB-CG2 4.29Å; V61-V75 HydrophobicContact CG1-CG2 4.29Å; V61-V75 HydrophobicContact CG2-CG2 4.49Å; L63-V75 HydrophobicContact CD2-CG1 4.49Å; F70-V75 HydrophobicContact CB-CG1 3.39Å; F70-V75 HydrophobicContact CD1-CG1 4.34Å; F70-V75 HydrophobicContact CD2-CG1 3.71Å; F70-V75 HydrophobicContact CG-CG1 3.56Å; C71-V75 PolarHBondContact O-N 2.88Å; S72-V75 VanDerWaalsContact O-CG2 3.23Å; S72-V75 WeakPolarHBondContact O-CG2 3.49Å; S72-V75 PolarHBondContact O-N 3.48Å; N73-V75 VanDerWaalsContact C-N 3.3Å; V75-D77 PolarHBondContact O-N 3.49Å; V75-D77 VanDerWaalsContact O-N 3.15Å; V75-C78 PolarHBondContact O-N 2.92Å; V75-I79 WeakPolarHBondContact O-CG1 3.37Å
76S75.3Confident78.7Confident58 Ų5855.4 Ų55.441%0.40633%0.326SS..G310 helixtrans-52.5-37.2-179.3-54.30000113.8S72 I79S72-S76 PolarHBondContact O-N 3.19Å; S72-S76 PolarHBondContact O-OG 3.47Å; S76-I79 WeakPolarHBondContact O-CD1 3.24Å; S76-I79 WeakPolarHBondContact O-CG1 3.42Å
77D71.1Confident78.5Confident140 Ų14062.9 Ų62.975%0.74935%0.351SS*.G310 helixtrans-89.7-4.2-178.8-52.4-33.4000114V75V75-D77 PolarHBondContact O-N 3.49Å; V75-D77 VanDerWaalsContact O-N 3.15Å
78C64.8Low78.4Confident29 Ų2956 Ų5620%0.19632%0.322CS..G310 helixtrans-114.116.7-174.3-580000112.6R52 V75 G80 T81 P84R52-C78 PolarHBondContact NH1-SG 2.97Å; R52-C78 VanDerWaalsContact NH1-SG 3.35Å; V75-C78 PolarHBondContact O-N 2.92Å; C78-G80 PolarHBondContact O-N 3.27Å; C78-T81 PolarHBondContact O-OG1 3.5Å; C78-P84 HydrophobicContact CB-CG 3.91Å
79I64.2Low77.7Confident86 Ų8657.9 Ų57.944%0.44134%0.339SS..THydrogen-bonded Turntrans-70.1117.1-177.5-62.3178000109.3V75 S76 I92 L95V75-I79 WeakPolarHBondContact O-CG1 3.37Å; S76-I79 WeakPolarHBondContact O-CD1 3.24Å; S76-I79 WeakPolarHBondContact O-CG1 3.42Å; I79-I92 HydrophobicContact CG2-CB 4.28Å; I79-I92 HydrophobicContact CG2-CD1 3.63Å; I79-I92 HydrophobicContact CG2-CG1 3.54Å; I79-I92 HydrophobicContact CG2-CG2 3.93Å; I79-L95 HydrophobicContact CG2-CD1 4.49Å
80G62.6Low76.6Confident49 Ų4956.9 Ų56.951%0.50534%0.336SS..THydrogen-bonded Turntrans94.2-3.817400000116.4C78C78-G80 PolarHBondContact O-N 3.27Å
81T69.4Low75.4Confident121 Ų12166.4 Ų66.474%0.74237%0.372SS*.THydrogen-bonded Turntrans-102-26.2179.849.40000114.1C78C78-T81 PolarHBondContact O-OG1 3.5Å
82G72.8Confident73.9Confident5 Ų570.7 Ų70.75%0.05239%0.393CS..  trans124.4174.8-176.400000113.5T88G82-T88 CarbonylContact C-O 3.54Å; G82-T88 VanDerWaalsContact CA-O 3.32Å; G82-T88 WeakPolarHBondContact CA-O 3.24Å
83C80.7Confident72.4Confident1 Ų177.9 Ų77.91%0.00742%0.423CS..  trans-61.1128.1179.3178.40000111.5L63 V85 C86 Y87 T88L63-C83 HydrophobicContact CD1-CB 4.02Å; C83-V85 PolarHBondContact O-N 3.43Å; C83-C86 PolarHBondContact SG-SG 3.42Å; C83-Y87 VanDerWaalsContact O-CA 3.23Å; C83-Y87 WeakPolarHBondContact O-CA 3.42Å; C83-Y87 PolarHBondContact O-N 3.35Å; C83-T88 PolarHBondContact N-O 3.49Å
84P80.3Confident71.1Confident41 Ų4175.7 Ų75.727%0.26641%0.411SS..THydrogen-bonded Turntrans-62.7-15.3179.8-24.533.9000115.6F70 C78F70-P84 HydrophobicContact CE1-CG 4.48Å; F70-P84 HydrophobicContact CZ-CG 4.42Å; C78-P84 HydrophobicContact CB-CG 3.91Å
85V82.1Confident70.1Confident67 Ų6777.6 Ų77.641%0.40642%0.42SS..THydrogen-bonded Turntrans-103.7-44.8-174.2-178.40000111.7H68 F70 C83H68-V85 WeakPolarHBondContact NE2-CG1 3.35Å; F70-V85 HydrophobicContact CE1-CG2 3.85Å; F70-V85 HydrophobicContact CZ-CG2 3.86Å; C83-V85 PolarHBondContact O-N 3.43Å
86C82.8Confident69.5Low48 Ų4884.3 Ų84.332%0.32445%0.448SS..THydrogen-bonded Turntrans-119.94-173.3630000114.1C66 H68 C83 T88C66-C86 VanDerWaalsContact SG-SG 3.7Å; H68-C86 VanDerWaalsContact CE1-SG 3.58Å; H68-C86 PolarHBondContact ND1-SG 3.41Å; C83-C86 PolarHBondContact SG-SG 3.42Å; C86-T88 PolarHBondContact O-N 3.1Å; C86-T88 PolarHBondContact SG-OG1 3.4Å
87Y77.4Confident69.5Low192 Ų19286.4 Ų86.475%0.75345%0.454SS*.  trans57.412.1177.9-54.3-79.5000115.2C83C83-Y87 VanDerWaalsContact O-CA 3.23Å; C83-Y87 WeakPolarHBondContact O-CA 3.42Å; C83-Y87 PolarHBondContact O-N 3.35Å
88T78.4Confident69.7Low48 Ų4881.9 Ų81.929%0.29443%0.429SS..  trans-61.2129.5173.4-50.10000109G65 G82 C83 C86 A90G65-T88 WeakPolarHBondContact O-CG2 3.35Å; G82-T88 CarbonylContact C-O 3.54Å; G82-T88 VanDerWaalsContact CA-O 3.32Å; G82-T88 WeakPolarHBondContact CA-O 3.24Å; C83-T88 PolarHBondContact N-O 3.49Å; C86-T88 PolarHBondContact O-N 3.1Å; C86-T88 PolarHBondContact SG-OG1 3.4Å; T88-A90 PolarHBondContact O-N 2.74Å
89P71.4Confident70.4Confident91 Ų9190.1 Ų90.159%0.59146%0.457SS*.  trans-58.7133.2-178.122.3-33000110.5
90A63.6Low71.3Confident16 Ų1693.2 Ų93.213%0.13247%0.469CS..  trans-128.4110.9-17900000107.9L63 T88L63-A90 HydrophobicContact CB-CB 3.84Å; L63-A90 HydrophobicContact CD1-CB 4.16Å; L63-A90 HydrophobicContact CD2-CB 4.33Å; L63-A90 HydrophobicContact CG-CB 4.33Å; T88-A90 PolarHBondContact O-N 2.74Å
91W62.6Low72.3Confident200 Ų20092.1 Ų92.176%0.75845%0.452SS*.  trans-82.8142.8-179.9-67.790.3000110.4Q93 D94W91-Q93 PolarHBondContact O-N 2.82Å; W91-Q93 VanDerWaalsContact O-N 3.1Å; W91-D94 PolarHBondContact O-N 3.24Å
92I57.5Low72.9Confident101 Ų10189.1 Ų89.152%0.51843%0.431SS..G310 helixtrans-59.4-28.1-172.2-56.3179.1000112.3I79 D94 L95I79-I92 HydrophobicContact CG2-CB 4.28Å; I79-I92 HydrophobicContact CG2-CD1 3.63Å; I79-I92 HydrophobicContact CG2-CG1 3.54Å; I79-I92 HydrophobicContact CG2-CG2 3.93Å; I92-D94 VanDerWaalsContact C-N 3.29Å; I92-D94 PolarHBondContact O-N 3.35Å; I92-L95 HydrophobicContact CG2-CD1 4.35Å
93Q55.1Low73.6Confident187 Ų18792 Ų9287%0.87445%0.45SS*.G310 helixtrans-77.3-11.5-178.3-65.3-179.2-5.200113.8W91W91-Q93 PolarHBondContact O-N 2.82Å; W91-Q93 VanDerWaalsContact O-N 3.1Å
94D57.5Low73.9Confident80 Ų8095.8 Ų95.843%0.42847%0.469SS..G310 helixtrans-97.92.1-179.2-66.1-45.7000113.8W91 I92 K96W91-D94 PolarHBondContact O-N 3.24Å; I92-D94 VanDerWaalsContact C-N 3.29Å; I92-D94 PolarHBondContact O-N 3.35Å; D94-K96 PolarHBondContact O-N 3.19Å
95L62.8Low74.3Confident61 Ų6194.5 Ų94.532%0.31946%0.459SS..  trans-66.195.8176.8-73.3165.3000110.4V61 L63 I79 I92V61-L95 HydrophobicContact CG1-CB 4.48Å; V61-L95 HydrophobicContact CG1-CD2 3.53Å; L63-L95 HydrophobicContact CD2-CD2 3.48Å; L63-L95 VanDerWaalsContact CD2-CD2 3.48Å; I79-L95 HydrophobicContact CG2-CD1 4.49Å; I92-L95 HydrophobicContact CG2-CD1 4.35Å
96K67.1Low74.5Confident150 Ų15096 Ų9665%0.65246%0.462SS*.EExtended strand (participates in β ladder)trans-105.5120177.1-69.3-178.5-178.2174.60110.1C62 D94 N98C62-K96 PolarHBondContact N-O 3.33Å; D94-K96 PolarHBondContact O-N 3.19Å; K96-N98 PolarHBondContact O-N 2.69Å
97I76.3Confident74.7Confident102 Ų10298.7 Ų98.752%0.52347%0.472SS..EExtended strand (participates in β ladder)trans-63.7119.3163.6-60.6174.7000107.3P60 R99P60-I97 WeakPolarHBondContact O-CA 3.42Å; I97-R99 PolarHBondContact O-N 3.14Å; I97-R99 VanDerWaalsContact O-N 3.16Å
98N74.6Confident75.1Confident44 Ų4489.7 Ų89.724%0.23544%0.438CS..  trans-87.886.7-178.8-165.5-36.8000110.3P60 K96 Q100 L101 D102P60-N98 WeakPolarHBondContact CG-O 3.32Å; P60-N98 PolarHBondContact O-N 3.25Å; K96-N98 PolarHBondContact O-N 2.69Å; N98-Q100 PolarHBondContact O-N 2.96Å; N98-Q100 VanDerWaalsContact O-N 3.15Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.24Å; N98-Q100 PolarHBondContact OD1-N 3.33Å; N98-L101 HydrophobicContact CB-CB 4.16Å; N98-L101 HydrophobicContact CB-CD1 3.89Å; N98-L101 HydrophobicContact CB-CG 4.14Å; N98-L101 PolarHBondContact O-N 3.24Å; N98-L101 VanDerWaalsContact O-N 3.12Å; N98-L101 PolarHBondContact OD1-N 3.02Å; N98-D102 PolarHBondContact O-N 3.44Å; N98-D102 VanDerWaalsContact O-N 3.1Å
99R79.8Confident75.4Confident203 Ų20389.1 Ų89.177%0.76644%0.436SS*.Hα-helixtrans-58.7-25178.1-66.9-172.7177-174.5-0.4113.6I97 S103I97-R99 PolarHBondContact O-N 3.14Å; I97-R99 VanDerWaalsContact O-N 3.16Å; R99-S103 WeakPolarHBondContact O-CB 3.39Å; R99-S103 PolarHBondContact O-N 2.77Å; R99-S103 PolarHBondContact O-OG 3.04Å
100Q82.2Confident76.1Confident151 Ų15191.1 Ų91.171%0.70644%0.435SS*.Hα-helixtrans-71.4-44.3176.9-62.9-179.2-60.600110.6N98 D102 S103 M104N98-Q100 PolarHBondContact O-N 2.96Å; N98-Q100 VanDerWaalsContact O-N 3.15Å; N98-Q100 WeakPolarHBondContact OD1-CB 3.24Å; N98-Q100 PolarHBondContact OD1-N 3.33Å; Q100-D102 VanDerWaalsContact C-N 3.31Å; Q100-D102 PolarHBondContact O-N 2.81Å; Q100-S103 WeakPolarHBondContact O-CB 3.46Å; Q100-S103 PolarHBondContact O-N 3.43Å; Q100-M104 VanDerWaalsContact O-CG 3.32Å; Q100-M104 WeakPolarHBondContact O-CG 3.35Å; Q100-M104 PolarHBondContact O-N 3.07Å
101L83.4Confident77.1Confident26 Ų2694.5 Ų94.514%0.13645%0.451CS..Hα-helixtrans-62.8-39.7173.7-71.4176.4000111.8L48 P60 I69 N98 S103 M104 I105L48-L101 HydrophobicContact CD2-CD2 3.9Å; P60-L101 HydrophobicContact CB-CB 4.05Å; P60-L101 HydrophobicContact CB-CD1 4.2Å; P60-L101 HydrophobicContact CG-CB 3.62Å; I69-L101 HydrophobicContact CD1-CD1 3.76Å; I69-L101 HydrophobicContact CG1-CD1 4.43Å; I69-L101 HydrophobicContact CG2-CD1 3.9Å; N98-L101 HydrophobicContact CB-CB 4.16Å; N98-L101 HydrophobicContact CB-CD1 3.89Å; N98-L101 HydrophobicContact CB-CG 4.14Å; N98-L101 PolarHBondContact O-N 3.24Å; N98-L101 VanDerWaalsContact O-N 3.12Å; N98-L101 PolarHBondContact OD1-N 3.02Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.49Å; L101-M104 HydrophobicContact CD2-SD 4.25Å; L101-M104 WeakPolarHBondContact O-CB 3.45Å; L101-M104 PolarHBondContact O-N 3.04Å; L101-M104 VanDerWaalsContact O-N 3.16Å; L101-I105 WeakPolarHBondContact O-CD1 3.47Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 2.91Å
102D83.3Confident78.2Confident58 Ų5887.6 Ų87.631%0.3142%0.424SS..Hα-helixtrans-59.6-46.1173.7-166.266.5000111.4P60 N98 Q100 M104 I105 Q106P60-D102 HydrophobicContact CG-CB 4.26Å; N98-D102 PolarHBondContact O-N 3.44Å; N98-D102 VanDerWaalsContact O-N 3.1Å; Q100-D102 VanDerWaalsContact C-N 3.31Å; Q100-D102 PolarHBondContact O-N 2.81Å; D102-M104 VanDerWaalsContact C-N 3.29Å; D102-M104 PolarHBondContact O-N 3.25Å; D102-I105 PolarHBondContact O-N 3.3Å; D102-I105 VanDerWaalsContact O-N 3.14Å; D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 3.41Å
103S86.3Confident79.2Confident65 Ų6587.6 Ų87.646%0.45543%0.425SS..Hα-helixtrans-58.2-41174.1-57.80000112.2R99 Q100 L101 Q106 L107R99-S103 WeakPolarHBondContact O-CB 3.39Å; R99-S103 PolarHBondContact O-N 2.77Å; R99-S103 PolarHBondContact O-OG 3.04Å; Q100-S103 WeakPolarHBondContact O-CB 3.46Å; Q100-S103 PolarHBondContact O-N 3.43Å; L101-S103 VanDerWaalsContact C-N 3.33Å; L101-S103 PolarHBondContact O-N 3.49Å; S103-Q106 PolarHBondContact O-N 3.41Å; S103-L107 WeakPolarHBondContact O-CB 3.32Å; S103-L107 VanDerWaalsContact O-CG 3.29Å; S103-L107 WeakPolarHBondContact O-CG 3.42Å; S103-L107 PolarHBondContact O-N 3.39Å
104M87.6Confident80.4Confident81 Ų8183.8 Ų83.840%0.39941%0.411SS..Hα-helixtrans-65.5-40.8176.6-68.317884.300111.9L44 Q100 L101 D102 L107 C108L44-M104 HydrophobicContact CD1-CE 4.25Å; Q100-M104 VanDerWaalsContact O-CG 3.32Å; Q100-M104 WeakPolarHBondContact O-CG 3.35Å; Q100-M104 PolarHBondContact O-N 3.07Å; L101-M104 HydrophobicContact CD2-SD 4.25Å; L101-M104 WeakPolarHBondContact O-CB 3.45Å; L101-M104 PolarHBondContact O-N 3.04Å; L101-M104 VanDerWaalsContact O-N 3.16Å; D102-M104 VanDerWaalsContact C-N 3.29Å; D102-M104 PolarHBondContact O-N 3.25Å; M104-L107 PolarHBondContact O-N 3.33Å; M104-C108 WeakPolarHBondContact O-CB 3.49Å; M104-C108 PolarHBondContact O-N 2.86Å; M104-C108 PolarHBondContact O-SG 3.16Å
105I87.9Confident81.1Confident13 Ų1380.9 Ų80.97%0.06740%0.395CS..Hα-helixtrans-63.7-42.4176.9-67156000110.7L48 I56 L57 P60 L101 D102 C108 S109L48-I105 HydrophobicContact CB-CG1 4.27Å; L48-I105 HydrophobicContact CD1-CG1 3.89Å; L48-I105 HydrophobicContact CD2-CG1 4.12Å; L48-I105 HydrophobicContact CG-CG1 4.32Å; I56-I105 HydrophobicContact CG2-CG1 4.33Å; I56-I105 HydrophobicContact CG2-CG2 3.78Å; L57-I105 HydrophobicContact CB-CD1 3.64Å; P60-I105 HydrophobicContact CG-CD1 4.22Å; L101-I105 WeakPolarHBondContact O-CD1 3.47Å; L101-I105 WeakPolarHBondContact O-CG1 3.34Å; L101-I105 PolarHBondContact O-N 2.91Å; D102-I105 PolarHBondContact O-N 3.3Å; D102-I105 VanDerWaalsContact O-N 3.14Å; I105-C108 PolarHBondContact O-N 3.18Å; I105-S109 WeakPolarHBondContact O-CB 3.28Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-OG 3.11Å
106Q86.4Confident81.3Confident100 Ų10083.5 Ų83.547%0.46741%0.405SS..Hα-helixtrans-62.8-44.8175.2-66.4-58.7-27.200111.7D102 S103 S109 K110D102-Q106 WeakPolarHBondContact O-CG 3.34Å; D102-Q106 PolarHBondContact O-N 3.41Å; S103-Q106 PolarHBondContact O-N 3.41Å; Q106-S109 PolarHBondContact O-N 3.24Å; Q106-K110 WeakPolarHBondContact O-CG 3.45Å; Q106-K110 PolarHBondContact O-N 3.49Å; Q106-K110 VanDerWaalsContact O-N 3.07Å
107L87.5Confident80.8Confident103 Ų10381.8 Ų81.854%0.53940%0.403SS..Hα-helixtrans-64.5-42.5176.4-73.2170.6000112.1S103 M104 S109 K110 L111S103-L107 WeakPolarHBondContact O-CB 3.32Å; S103-L107 VanDerWaalsContact O-CG 3.29Å; S103-L107 WeakPolarHBondContact O-CG 3.42Å; S103-L107 PolarHBondContact O-N 3.39Å; M104-L107 PolarHBondContact O-N 3.33Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 3.31Å; L107-K110 PolarHBondContact O-N 3.13Å; L107-L111 WeakPolarHBondContact O-CB 3.38Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.39Å
108C86.3Confident79.8Confident4 Ų479.8 Ų79.83%0.02739%0.393CS..Hα-helixtrans-59.4-42.7176-71.30000111.4L41 L44 L48 M104 I105 L111 R112L41-C108 HydrophobicContact CD1-CB 4.02Å; L44-C108 WeakPolarHBondContact CD2-SG 3.44Å; L48-C108 HydrophobicContact CD1-CB 4.45Å; M104-C108 WeakPolarHBondContact O-CB 3.49Å; M104-C108 PolarHBondContact O-N 2.86Å; M104-C108 PolarHBondContact O-SG 3.16Å; I105-C108 PolarHBondContact O-N 3.18Å; C108-L111 PolarHBondContact O-N 2.98Å; C108-R112 WeakPolarHBondContact O-CB 3.39Å; C108-R112 PolarHBondContact O-N 3.36Å
109S85.2Confident78.7Confident35 Ų3583.7 Ų83.725%0.24541%0.41CS..Hα-helixtrans-64.6-43.1178.9-580000111.6I105 Q106 L107 R112 N113I105-S109 WeakPolarHBondContact O-CB 3.28Å; I105-S109 PolarHBondContact O-N 2.89Å; I105-S109 PolarHBondContact O-OG 3.11Å; Q106-S109 PolarHBondContact O-N 3.24Å; L107-S109 VanDerWaalsContact C-N 3.29Å; L107-S109 PolarHBondContact O-N 3.31Å; S109-R112 WeakPolarHBondContact O-CB 3.49Å; S109-R112 PolarHBondContact O-N 3.13Å; S109-N113 PolarHBondContact O-N 3.37Å; S109-N113 VanDerWaalsContact O-N 3.11Å
110K86.1Confident77.6Confident133 Ų13380.5 Ų80.558%0.57841%0.408SS*.Hα-helixtrans-62.3-46.1174.5-71.2176.1-177.2-179.90112.1Q106 L107 R112 N113 L114Q106-K110 WeakPolarHBondContact O-CG 3.45Å; Q106-K110 PolarHBondContact O-N 3.49Å; Q106-K110 VanDerWaalsContact O-N 3.07Å; L107-K110 PolarHBondContact O-N 3.13Å; K110-R112 VanDerWaalsContact C-N 3.31Å; K110-R112 PolarHBondContact O-N 3.47Å; K110-N113 PolarHBondContact O-N 2.98Å; K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 2.87Å; K110-L114 VanDerWaalsContact O-N 3.13Å
111L84.7Confident77Confident88 Ų8875 Ų7546%0.46139%0.386SS..Hα-helixtrans-62.8-39.1177.1-75170.9000111.7L41 L107 C108 N113 L114 L115L41-L111 HydrophobicContact CD1-CB 4.34Å; L41-L111 HydrophobicContact CD2-CB 4.45Å; L107-L111 WeakPolarHBondContact O-CB 3.38Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 3.39Å; C108-L111 PolarHBondContact O-N 2.98Å; L111-N113 PolarHBondContact O-N 3.4Å; L111-L114 PolarHBondContact O-N 3.1Å; L111-L115 WeakPolarHBondContact O-CB 3.25Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å
112R83.9Confident76.4Confident54 Ų5474.6 Ų74.620%0.20439%0.388CS..Hα-helixtrans-57.1-51.1175.1-163177.4-50.7111.70.5110L41 E45 C108 S109 K110 L114 L115 H116L41-R112 HydrophobicContact CD2-CB 3.79Å; L41-R112 HydrophobicContact CD2-CG 4.15Å; E45-R112 VanDerWaalsContact CD-CZ 3.49Å; E45-R112 VanDerWaalsContact CD-NE 3.29Å; E45-R112 IonicContact OE1-CZ 2.75Å; E45-R112 IonicContact OE1-NE 2.73Å; E45-R112 PolarHBondContact OE1-NE 3.38Å; E45-R112 VanDerWaalsContact OE1-NE 3.14Å; E45-R112 IonicContact OE1-NH2 3.34Å; E45-R112 PolarHBondContact OE1-NH2 3.41Å; E45-R112 IonicContact OE2-CZ 3.6Å; E45-R112 IonicContact OE2-NE 3.18Å; E45-R112 PolarHBondContact OE2-NE 2.89Å; E45-R112 IonicContact OE2-NH2 3.81Å; E45-R112 PolarHBondContact OE2-NH2 3.09Å; C108-R112 WeakPolarHBondContact O-CB 3.39Å; C108-R112 PolarHBondContact O-N 3.36Å; S109-R112 WeakPolarHBondContact O-CB 3.49Å; S109-R112 PolarHBondContact O-N 3.13Å; K110-R112 VanDerWaalsContact C-N 3.31Å; K110-R112 PolarHBondContact O-N 3.47Å; R112-L114 PolarHBondContact O-N 3.34Å; R112-L115 PolarHBondContact O-N 2.83Å; R112-L115 VanDerWaalsContact O-N 3.13Å; R112-H116 VanDerWaalsContact CG-CD2 3.45Å; R112-H116 WeakPolarHBondContact CG-CD2 3.48Å; R112-H116 PolarHBondContact O-CD2 3.35Å; R112-H116 PolarHBondContact O-N 3.14Å
113N80.3Confident76.3Confident101 Ų10176.6 Ų76.654%0.5440%0.402SS..Hα-helixtrans-57.4-48.9179.6-65-15.8000111.8S109 K110 L111 L115 H116 D117S109-N113 PolarHBondContact O-N 3.37Å; S109-N113 VanDerWaalsContact O-N 3.11Å; K110-N113 PolarHBondContact O-N 2.98Å; L111-N113 PolarHBondContact O-N 3.4Å; N113-L115 VanDerWaalsContact C-N 3.27Å; N113-L115 PolarHBondContact O-N 2.82Å; N113-H116 PolarHBondContact O-N 3.32Å; N113-H116 VanDerWaalsContact O-N 3.16Å; N113-D117 WeakPolarHBondContact O-CB 3.33Å; N113-D117 PolarHBondContact O-N 2.79Å
114L79.4Confident76.1Confident108 Ų10877 Ų7757%0.56540%0.396SS*.Hα-helixtrans-61.2-33178.3-66.7173.8000113.8K110 L111 R112 N118K110-L114 WeakPolarHBondContact O-CG 3.39Å; K110-L114 PolarHBondContact O-N 2.87Å; K110-L114 VanDerWaalsContact O-N 3.13Å; L111-L114 PolarHBondContact O-N 3.1Å; R112-L114 PolarHBondContact O-N 3.34Å; L114-N118 PolarHBondContact O-ND2 3.17Å
115L73.1Confident75.8Confident19 Ų1973.9 Ų73.910%0.09938%0.383CS..Hα-helixtrans-80.3-29.9178.4-70.2179.4000112.7W34 R38 L41 L111 R112 N113W34-L115 HydrophobicContact CB-CD2 3.78Å; W34-L115 HydrophobicContact CD2-CD2 3.91Å; W34-L115 HydrophobicContact CE3-CD2 4.01Å; W34-L115 HydrophobicContact CG-CD2 3.82Å; R38-L115 HydrophobicContact CG-CB 4.33Å; R38-L115 HydrophobicContact CG-CD1 4.13Å; L41-L115 HydrophobicContact CD2-CD1 4.05Å; L111-L115 WeakPolarHBondContact O-CB 3.25Å; L111-L115 VanDerWaalsContact O-CG 3.28Å; L111-L115 WeakPolarHBondContact O-CG 3.32Å; L111-L115 PolarHBondContact O-N 2.88Å; R112-L115 PolarHBondContact O-N 2.83Å; R112-L115 VanDerWaalsContact O-N 3.13Å; N113-L115 VanDerWaalsContact C-N 3.27Å; N113-L115 PolarHBondContact O-N 2.82Å
116H66.4Low75.7Confident116 Ų11675 Ų7554%0.53739%0.391SS..Hα-helixtrans-79.3-33.4174.7-82.7-87.3000112.7R112 N113 N118 E119R112-H116 VanDerWaalsContact CG-CD2 3.45Å; R112-H116 WeakPolarHBondContact CG-CD2 3.48Å; R112-H116 PolarHBondContact O-CD2 3.35Å; R112-H116 PolarHBondContact O-N 3.14Å; N113-H116 PolarHBondContact O-N 3.32Å; N113-H116 VanDerWaalsContact O-N 3.16Å; H116-N118 PolarHBondContact O-N 3.29Å; H116-E119 PolarHBondContact O-N 3.45Å; H116-E119 VanDerWaalsContact O-N 3.16Å
117D56.6Low75.8Confident114 Ų11476.3 Ų76.361%0.6140%0.401SS*.THydrogen-bonded Turntrans-59.6-17.7174.9-72.3-23.9000112.9N113N113-D117 WeakPolarHBondContact O-CB 3.33Å; N113-D117 PolarHBondContact O-N 2.79Å
118N54Low75.7Confident59 Ų5981.4 Ų81.432%0.31641%0.413SS..THydrogen-bonded Turntrans-83.6-9.1-179.2-91.9-53.7000115L114 H116 K124L114-N118 PolarHBondContact O-ND2 3.17Å; H116-N118 PolarHBondContact O-N 3.29Å; N118-K124 PolarHBondContact O-NZ 3.34Å; N118-K124 PolarHBondContact OD1-NZ 3.15Å
119E52.4Low75.7Confident127 Ų12788.5 Ų88.559%0.59344%0.439SS*.THydrogen-bonded Turntrans-104.5-12.2-175.6-71.2-167168.700115.6R38 H116R38-E119 IonicContact CZ-OE1 3.79Å; R38-E119 IonicContact NH1-OE1 2.81Å; R38-E119 PolarHBondContact NH1-OE1 3.19Å; R38-E119 IonicContact NH2-OE1 3.25Å; R38-E119 PolarHBondContact NH2-OE1 2.87Å; H116-E119 PolarHBondContact O-N 3.45Å; H116-E119 VanDerWaalsContact O-N 3.16Å
120L56.4Low75.9Confident135 Ų13596 Ų9671%0.70747%0.467SS*.SBendtrans-115.817-175.1-92.7154.1000115.1G122L120-G122 PolarHBondContact O-N 3.38Å
121S68.8Low76.2Confident37 Ų3794 Ų9426%0.25947%0.466SS..  trans-82.2109.3-178.4121.50000111V123 K124 A125S121-V123 PolarHBondContact O-N 3.27Å; S121-V123 VanDerWaalsContact O-N 3.13Å; S121-K124 WeakPolarHBondContact O-CB 3.22Å; S121-K124 PolarHBondContact O-N 3.16Å; S121-K124 WeakPolarHBondContact OG-CG 3.25Å; S121-K124 PolarHBondContact OG-N 3.27Å; S121-A125 PolarHBondContact O-N 2.98Å
122G72.1Confident76.3Confident17 Ų1794.7 Ų94.718%0.17548%0.477CS..Hα-helixtrans-51.1-31.616800000111.6L120 K124 A125 C126L120-G122 PolarHBondContact O-N 3.38Å; G122-K124 VanDerWaalsContact C-N 3.34Å; G122-K124 PolarHBondContact O-N 3.1Å; G122-A125 WeakPolarHBondContact O-CB 3.23Å; G122-A125 PolarHBondContact O-N 2.87Å; G122-A125 VanDerWaalsContact O-N 3.09Å; G122-C126 PolarHBondContact O-N 3.41Å; G122-C126 PolarHBondContact O-SG 3.39Å
123V81.1Confident76.5Confident100 Ų10093.4 Ų93.461%0.60647%0.473SS*.Hα-helixtrans-55-43.9172.7-177.60000112.4S121 C126 L127S121-V123 PolarHBondContact O-N 3.27Å; S121-V123 VanDerWaalsContact O-N 3.13Å; V123-C126 PolarHBondContact O-N 2.97Å; V123-L127 HydrophobicContact CG1-CD1 3.95Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.24Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.16Å
124K81.6Confident76.9Confident74 Ų7495.8 Ų95.832%0.32248%0.481SS..Hα-helixtrans-66.5-38.2177.1-76.6173.7-173.5-170.60112.1N118 S121 G122 R128N118-K124 PolarHBondContact O-NZ 3.34Å; N118-K124 PolarHBondContact OD1-NZ 3.15Å; S121-K124 WeakPolarHBondContact O-CB 3.22Å; S121-K124 PolarHBondContact O-N 3.16Å; S121-K124 WeakPolarHBondContact OG-CG 3.25Å; S121-K124 PolarHBondContact OG-N 3.27Å; G122-K124 VanDerWaalsContact C-N 3.34Å; G122-K124 PolarHBondContact O-N 3.1Å; K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 VanDerWaalsContact O-CG 3.28Å; K124-R128 WeakPolarHBondContact O-CG 3.23Å; K124-R128 PolarHBondContact O-N 3.43Å; K124-R128 VanDerWaalsContact O-N 3.09Å
125A82.4Confident77.3Confident14 Ų1497.4 Ų97.412%0.11649%0.486CS..Hα-helixtrans-65.7-45.4176.800000110.7S121 G122 R128 R129 E133 Y138S121-A125 PolarHBondContact O-N 2.98Å; G122-A125 WeakPolarHBondContact O-CB 3.23Å; G122-A125 PolarHBondContact O-N 2.87Å; G122-A125 VanDerWaalsContact O-N 3.09Å; A125-R128 PolarHBondContact O-N 3.3Å; A125-R129 PolarHBondContact O-N 3.38Å; A125-R129 VanDerWaalsContact O-N 3.07Å; A125-E133 HydrophobicContact CB-CG 3.87Å; A125-Y138 HydrophobicContact CB-CE1 4.13Å; A125-Y138 HydrophobicContact CB-CE2 4.21Å; A125-Y138 WeakPolarHBondContact CB-OH 3.25Å
126C85.6Confident78Confident36 Ų36101.5 Ų101.524%0.24350%0.504CS..Hα-helixtrans-60.2-47.1175.4-63.70000112.2G122 V123 R128 R129 K130 V131 E133G122-C126 PolarHBondContact O-N 3.41Å; G122-C126 PolarHBondContact O-SG 3.39Å; V123-C126 PolarHBondContact O-N 2.97Å; C126-R128 VanDerWaalsContact C-N 3.35Å; C126-R128 PolarHBondContact O-N 3.21Å; C126-R129 PolarHBondContact O-N 3.37Å; C126-K130 VanDerWaalsContact O-CA 3.28Å; C126-K130 WeakPolarHBondContact O-CA 3.41Å; C126-K130 PolarHBondContact O-N 3.32Å; C126-V131 WeakPolarHBondContact CA-O 3.24Å; C126-V131 WeakPolarHBondContact CB-O 3.49Å; C126-V131 PolarHBondContact O-N 3.49Å; C126-E133 PolarHBondContact SG-N 3.1Å
127L87.1Confident78.9Confident129 Ų129102.1 Ų102.168%0.67551%0.505SS*.Hα-helixtrans-62.5-39.3179.6-74.9171.4000112.6V123V123-L127 HydrophobicContact CG1-CD1 3.95Å; V123-L127 HydrophobicContact CG1-CG 4.37Å; V123-L127 WeakPolarHBondContact O-CB 3.4Å; V123-L127 VanDerWaalsContact O-CG 3.24Å; V123-L127 WeakPolarHBondContact O-CG 3.48Å; V123-L127 PolarHBondContact O-N 3.16Å
128R87.1Confident80.2Confident210 Ų21099.6 Ų99.679%0.79249%0.488SS*.Hα-helixtrans-69.2-41.3179-76.5175.8178.1-179.1-0.2112.5K124 A125 C126K124-R128 WeakPolarHBondContact O-CB 3.46Å; K124-R128 VanDerWaalsContact O-CG 3.28Å; K124-R128 WeakPolarHBondContact O-CG 3.23Å; K124-R128 PolarHBondContact O-N 3.43Å; K124-R128 VanDerWaalsContact O-N 3.09Å; A125-R128 PolarHBondContact O-N 3.3Å; C126-R128 VanDerWaalsContact C-N 3.35Å; C126-R128 PolarHBondContact O-N 3.21Å
129R85.7Confident81.6Confident153 Ų15399 Ų9958%0.57748%0.483SS*.Hα-helixtrans-90.7-10-176.2-69.1172.8172.2-166.2-2.6113.2A125 C126 V131 E133A125-R129 PolarHBondContact O-N 3.38Å; A125-R129 VanDerWaalsContact O-N 3.07Å; C126-R129 PolarHBondContact O-N 3.37Å; R129-V131 PolarHBondContact O-N 3.15Å; R129-E133 WeakPolarHBondContact CD-OE1 3.38Å; R129-E133 IonicContact CZ-OE1 3.95Å; R129-E133 IonicContact CZ-OE2 3.47Å; R129-E133 IonicContact NE-OE1 3.56Å; R129-E133 IonicContact NH1-OE1 2.91Å; R129-E133 PolarHBondContact NH1-OE1 2.98Å; R129-E133 IonicContact NH1-OE2 3.73Å; R129-E133 PolarHBondContact NH1-OE2 2.95Å
130K89.3Confident83.1Confident192 Ų19298.9 Ų98.984%0.83549%0.485SS*.THydrogen-bonded Turntrans54.531-174.4-57.9-178179.4179.70112.9C126C126-K130 VanDerWaalsContact O-CA 3.28Å; C126-K130 WeakPolarHBondContact O-CA 3.41Å; C126-K130 PolarHBondContact O-N 3.32Å
131V92.1Very high84.5Confident92 Ų9296.4 Ų96.456%0.55848%0.477SS*.SBendtrans-137.4149.5-178.1174.20000108.2C126 R129 E133C126-V131 WeakPolarHBondContact CA-O 3.24Å; C126-V131 WeakPolarHBondContact CB-O 3.49Å; C126-V131 PolarHBondContact O-N 3.49Å; R129-V131 PolarHBondContact O-N 3.15Å; V131-E133 PolarHBondContact O-N 3.12Å
132C87.3Confident85.6Confident101 Ų101100.8 Ų100.868%0.68249%0.494SS*.  trans-71.3108.6169.2-173.60000108.7
133E88Confident86.5Confident28 Ų28100.2 Ų100.213%0.13149%0.487CS..  trans-68.3155.1175.6-73.2-74.313400111.1A125 C126 R129 V131 E135 Y138A125-E133 HydrophobicContact CB-CG 3.87Å; C126-E133 PolarHBondContact SG-N 3.1Å; R129-E133 WeakPolarHBondContact CD-OE1 3.38Å; R129-E133 IonicContact CZ-OE1 3.95Å; R129-E133 IonicContact CZ-OE2 3.47Å; R129-E133 IonicContact NE-OE1 3.56Å; R129-E133 IonicContact NH1-OE1 2.91Å; R129-E133 PolarHBondContact NH1-OE1 2.98Å; R129-E133 IonicContact NH1-OE2 3.73Å; R129-E133 PolarHBondContact NH1-OE2 2.95Å; V131-E133 PolarHBondContact O-N 3.12Å; E133-E135 PolarHBondContact O-N 3.38Å; E133-E135 VanDerWaalsContact O-N 3.15Å; E133-Y138 HydrophobicContact CB-CD2 4.45Å; E133-Y138 HydrophobicContact CB-CE2 3.87Å; E133-Y138 HydrophobicContact CG-CE2 4.29Å
134Q88.4Confident87.1Confident150 Ų15098.4 Ų98.470%0.70148%0.478SS*.  trans-57.3118.9170.5-73.7-179.3-12.300110.2E136 K137Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 3.33Å; Q134-K137 PolarHBondContact O-N 3.43Å
135E87.6Confident87.5Confident143 Ų143101.5 Ų101.567%0.66849%0.488SS*.G310 helixtrans-67.5-32.1-171.7-63.6179.3143.900111.6E133 K137 Y138 E139E133-E135 PolarHBondContact O-N 3.38Å; E133-E135 VanDerWaalsContact O-N 3.15Å; E135-K137 PolarHBondContact O-N 3.5Å; E135-K137 VanDerWaalsContact O-N 3.14Å; E135-Y138 CarbonylContact O-C 3.51Å; E135-Y138 PolarHBondContact O-N 2.94Å; E135-E139 PolarHBondContact O-N 3.29Å
136E87.4Confident88.1Confident105 Ų105105 Ų10549%0.49150%0.498SS..G310 helixtrans-59.5-29.4-178.8-60.485.4170.500112.8Q134 Y138Q134-E136 VanDerWaalsContact C-N 3.3Å; Q134-E136 PolarHBondContact O-N 3.33Å; E136-Y138 VanDerWaalsContact C-N 3.25Å; E136-Y138 PolarHBondContact O-N 2.94Å
137K85.3Confident88.6Confident128 Ų128105.6 Ų105.656%0.55750%0.502SS*.G310 helixtrans-69-26.5178-178178.9174.2-1690112.7Q134 E135Q134-K137 PolarHBondContact O-N 3.43Å; E135-K137 PolarHBondContact O-N 3.5Å; E135-K137 VanDerWaalsContact O-N 3.14Å
138Y84.8Confident89Confident61 Ų61102.2 Ų102.224%0.23948%0.48CS..G310 helixtrans-1126.3-176.9-58.4-83.4000111.8A125 E133 E135 E136A125-Y138 HydrophobicContact CB-CE1 4.13Å; A125-Y138 HydrophobicContact CB-CE2 4.21Å; A125-Y138 WeakPolarHBondContact CB-OH 3.25Å; E133-Y138 HydrophobicContact CB-CD2 4.45Å; E133-Y138 HydrophobicContact CB-CE2 3.87Å; E133-Y138 HydrophobicContact CG-CE2 4.29Å; E135-Y138 CarbonylContact O-C 3.51Å; E135-Y138 PolarHBondContact O-N 2.94Å; E136-Y138 VanDerWaalsContact C-N 3.25Å; E136-Y138 PolarHBondContact O-N 2.94Å
139E83.8Confident89.4Confident48 Ų4895.1 Ų95.122%0.22446%0.458CS..  trans-70.2137.6-178.3-178.9169.6-139.600111.2E135 R145 R148E135-E139 PolarHBondContact O-N 3.29Å; E139-R145 HydrophobicContact CG-CB 4.3Å; E139-R145 WeakPolarHBondContact OE1-CA 3.47Å; E139-R145 WeakPolarHBondContact OE2-CG 3.24Å; E139-R148 WeakPolarHBondContact OE1-CD 3.47Å; E139-R148 IonicContact OE1-CZ 3.81Å; E139-R148 IonicContact OE1-NE 2.94Å; E139-R148 PolarHBondContact OE1-NE 3.29Å; E139-R148 IonicContact OE1-NH2 3.57Å; E139-R148 IonicContact OE2-CZ 2.68Å; E139-R148 IonicContact OE2-NE 3.14Å; E139-R148 PolarHBondContact OE2-NE 3.07Å; E139-R148 IonicContact OE2-NH2 3.13Å; E139-R148 PolarHBondContact OE2-NH2 2.96Å
140I84.3Confident89.9Confident124 Ų12488.7 Ų88.764%0.63644%0.435SS*.  trans-70.6126.4171.9-59.7174.8000108P144I140-P144 HydrophobicContact CB-CG 4.17Å; I140-P144 HydrophobicContact CG2-CG 4.18Å
141P84.1Confident90.2Very high82 Ų8289.3 Ų89.353%0.53243%0.432SS..THydrogen-bonded Turntrans-69.4175.7-175.129.8-36.5000113G143 P144P141-G143 PolarHBondContact O-N 2.83Å; P141-P144 WeakPolarHBondContact O-CD 3.42Å
142E92Very high90.3Very high130 Ų13090.5 Ų90.561%0.60743%0.431SS*.THydrogen-bonded Turntrans67.6-112.3178-50.2-49.8123.600114.8R145 R146E142-R145 PolarHBondContact O-N 2.85Å; E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.49Å
143G91.9Very high90.7Very high4 Ų491.8 Ų91.84%0.04143%0.428CS..Hα-helixtrans-58.8-52.7-170.600000114.4P141 R145 R146 S147 S256 F257P141-G143 PolarHBondContact O-N 2.83Å; G143-R145 PolarHBondContact O-N 2.74Å; G143-R146 PolarHBondContact O-N 2.95Å; G143-S147 WeakPolarHBondContact O-CB 3.26Å; G143-S147 PolarHBondContact O-N 3.29Å; G143-S256 VanDerWaalsContact CA-O 3.25Å; G143-S256 WeakPolarHBondContact CA-O 3.25Å; G143-F257 WeakPolarHBondContact O-CB 3.44Å
144P92.6Very high91.1Very high63 Ų6398.1 Ų98.141%0.40946%0.461SS..Hα-helixtrans-56.7-46.9177.5-27.336.2000112.9I140 P141 S147 R148I140-P144 HydrophobicContact CB-CG 4.17Å; I140-P144 HydrophobicContact CG2-CG 4.18Å; P141-P144 WeakPolarHBondContact O-CD 3.42Å; P144-S147 WeakPolarHBondContact O-CB 3.33Å; P144-S147 PolarHBondContact O-N 3.26Å; P144-R148 PolarHBondContact O-N 2.91Å
145R91.6Very high91.4Very high139 Ų13993.7 Ų93.753%0.52544%0.442SS..Hα-helixtrans-62.4-44.4177.8-176173.9179.3-167.81.1112.6E139 E142 G143 S147 R148 L149E139-R145 HydrophobicContact CG-CB 4.3Å; E139-R145 WeakPolarHBondContact OE1-CA 3.47Å; E139-R145 WeakPolarHBondContact OE2-CG 3.24Å; E142-R145 PolarHBondContact O-N 2.85Å; G143-R145 PolarHBondContact O-N 2.74Å; R145-S147 VanDerWaalsContact C-N 3.34Å; R145-S147 PolarHBondContact O-N 3.11Å; R145-R148 PolarHBondContact O-N 3.48Å; R145-L149 HydrophobicContact CG-CD1 4.13Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.37Å
146R93.9Very high91.9Very high88 Ų8888.8 Ų88.833%0.33242%0.423SS..Hα-helixtrans-59-45.8175.1-76.5-171.5-77.4-178.4-13.7111.5E142 G143 L149 N150 S256 F257 E258E142-R146 WeakPolarHBondContact O-CB 3.41Å; E142-R146 VanDerWaalsContact O-CG 3.32Å; E142-R146 WeakPolarHBondContact O-CG 3.44Å; E142-R146 PolarHBondContact O-N 3.49Å; G143-R146 PolarHBondContact O-N 2.95Å; R146-L149 PolarHBondContact O-N 2.95Å; R146-N150 VanDerWaalsContact O-CB 3.25Å; R146-N150 WeakPolarHBondContact O-CB 3.38Å; R146-N150 PolarHBondContact O-N 3.43Å; R146-S256 PolarHBondContact NE-O 2.83Å; R146-S256 VanDerWaalsContact NE-O 3.11Å; R146-S256 PolarHBondContact NH2-O 3.38Å; R146-F257 HydrophobicContact CB-CB 4.34Å; R146-F257 HydrophobicContact CB-CD1 3.97Å; R146-E258 IonicContact CZ-OE2 2.61Å; R146-E258 IonicContact NH1-OE2 3.41Å; R146-E258 PolarHBondContact NH1-OE2 3.11Å; R146-E258 IonicContact NH2-OE2 3.25Å
147S95.9Very high92.4Very high47 Ų4789.2 Ų89.233%0.32942%0.423SS..Hα-helixtrans-61.6-45.3178.6-174.30000112.7G143 P144 R145 N150 R151 F257G143-S147 WeakPolarHBondContact O-CB 3.26Å; G143-S147 PolarHBondContact O-N 3.29Å; P144-S147 WeakPolarHBondContact O-CB 3.33Å; P144-S147 PolarHBondContact O-N 3.26Å; R145-S147 VanDerWaalsContact C-N 3.34Å; R145-S147 PolarHBondContact O-N 3.11Å; S147-N150 PolarHBondContact O-N 3.32Å; S147-R151 PolarHBondContact O-N 3.21Å; S147-R151 VanDerWaalsContact O-N 3.1Å; S147-F257 WeakPolarHBondContact OG-CD2 3.42Å; S147-F257 VanDerWaalsContact OG-CE2 3.28Å; S147-F257 WeakPolarHBondContact OG-CE2 3.29Å
148R95.9Very high92.9Very high59 Ų5983.4 Ų83.422%0.22340%0.398CS..Hα-helixtrans-60.8-52.2177.2-177.3-175.958.884.7-7.8111.5E139 P144 R145 N150 R151 E152E139-R148 WeakPolarHBondContact OE1-CD 3.47Å; E139-R148 IonicContact OE1-CZ 3.81Å; E139-R148 IonicContact OE1-NE 2.94Å; E139-R148 PolarHBondContact OE1-NE 3.29Å; E139-R148 IonicContact OE1-NH2 3.57Å; E139-R148 IonicContact OE2-CZ 2.68Å; E139-R148 IonicContact OE2-NE 3.14Å; E139-R148 PolarHBondContact OE2-NE 3.07Å; E139-R148 IonicContact OE2-NH2 3.13Å; E139-R148 PolarHBondContact OE2-NH2 2.96Å; P144-R148 PolarHBondContact O-N 2.91Å; R145-R148 PolarHBondContact O-N 3.48Å; R148-N150 VanDerWaalsContact C-N 3.31Å; R148-N150 PolarHBondContact O-N 3.16Å; R148-R151 PolarHBondContact O-N 2.97Å; R148-R151 VanDerWaalsContact O-N 3.15Å; R148-E152 WeakPolarHBondContact CG-OE1 3.46Å; R148-E152 IonicContact CZ-OE1 3.26Å; R148-E152 VanDerWaalsContact NH1-CD 3.31Å; R148-E152 IonicContact NH1-OE1 3.29Å; R148-E152 PolarHBondContact NH1-OE1 3.07Å; R148-E152 IonicContact NH1-OE2 3.85Å; R148-E152 PolarHBondContact NH1-OE2 3.15Å; R148-E152 PolarHBondContact O-N 3.1Å
149L94.7Very high93.5Very high61 Ų6180.6 Ų80.632%0.31939%0.387SS..Hα-helixtrans-61.8-38.1180-68.3174.9000112.2R145 R146 R151 E152 Q153R145-L149 HydrophobicContact CG-CD1 4.13Å; R145-L149 WeakPolarHBondContact O-CG 3.34Å; R145-L149 PolarHBondContact O-N 3.37Å; R146-L149 PolarHBondContact O-N 2.95Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.46Å; L149-E152 PolarHBondContact O-N 3.12Å; L149-Q153 WeakPolarHBondContact O-CG 3.42Å; L149-Q153 PolarHBondContact O-N 3.2Å; L149-Q153 VanDerWaalsContact O-N 3.16Å; L149-Q153 PolarHBondContact O-NE2 2.84Å
150N96.4Very high94.1Very high18 Ų1881.9 Ų81.910%0.09640%0.395CS..Hα-helixtrans-60.4-43.7175.4176.9-93.4000111.7R146 S147 R148 Q153 L154 L155 P156 H210 F257R146-N150 VanDerWaalsContact O-CB 3.25Å; R146-N150 WeakPolarHBondContact O-CB 3.38Å; R146-N150 PolarHBondContact O-N 3.43Å; S147-N150 PolarHBondContact O-N 3.32Å; R148-N150 VanDerWaalsContact C-N 3.31Å; R148-N150 PolarHBondContact O-N 3.16Å; N150-Q153 PolarHBondContact O-N 2.8Å; N150-L154 PolarHBondContact O-N 3.26Å; N150-L155 WeakPolarHBondContact ND2-CB 3.5Å; N150-L155 WeakPolarHBondContact O-CB 3.5Å; N150-L155 PolarHBondContact O-N 2.9Å; N150-L155 VanDerWaalsContact O-N 3.12Å; N150-P156 PolarHBondContact OD1-O 3.06Å; N150-H210 PolarHBondContact ND2-CE1 3.47Å; N150-H210 VanDerWaalsContact ND2-CE1 3.32Å; N150-F257 HydrophobicContact CB-CE1 3.6Å; N150-F257 HydrophobicContact CB-CZ 3.88Å
151R95.7Very high94.4Very high205 Ų20576.7 Ų76.777%0.77437%0.373SS*.Hα-helixtrans-69.5-38.9178.2-175175.1179.6177.1-1.6113S147 R148 L149 Q153 L154S147-R151 PolarHBondContact O-N 3.21Å; S147-R151 VanDerWaalsContact O-N 3.1Å; R148-R151 PolarHBondContact O-N 2.97Å; R148-R151 VanDerWaalsContact O-N 3.15Å; L149-R151 VanDerWaalsContact C-N 3.34Å; L149-R151 PolarHBondContact O-N 3.46Å; R151-Q153 PolarHBondContact O-N 3.07Å; R151-L154 PolarHBondContact O-N 2.92Å
152E94.6Very high95Very high116 Ų11672.8 Ų72.854%0.54235%0.347SS..Hα-helixtrans-60.3-34.5175.1-75.8171.8-171.300112R148 L149 L154R148-E152 WeakPolarHBondContact CG-OE1 3.46Å; R148-E152 IonicContact CZ-OE1 3.26Å; R148-E152 VanDerWaalsContact NH1-CD 3.31Å; R148-E152 IonicContact NH1-OE1 3.29Å; R148-E152 PolarHBondContact NH1-OE1 3.07Å; R148-E152 IonicContact NH1-OE2 3.85Å; R148-E152 PolarHBondContact NH1-OE2 3.15Å; R148-E152 PolarHBondContact O-N 3.1Å; L149-E152 PolarHBondContact O-N 3.12Å; E152-L154 PolarHBondContact O-N 3.42Å
153Q96.1Very high95.1Very high129 Ų12968.5 Ų68.560%0.60333%0.326SS*.THydrogen-bonded Turntrans-81.83.5174.9-66.5172.944.900113.5L149 N150 R151 L155L149-Q153 WeakPolarHBondContact O-CG 3.42Å; L149-Q153 PolarHBondContact O-N 3.2Å; L149-Q153 VanDerWaalsContact O-N 3.16Å; L149-Q153 PolarHBondContact O-NE2 2.84Å; N150-Q153 PolarHBondContact O-N 2.8Å; R151-Q153 PolarHBondContact O-N 3.07Å; Q153-L155 HydrophobicContact CB-CD1 4.03Å; Q153-L155 HydrophobicContact CB-CG 3.82Å; Q153-L155 PolarHBondContact O-N 3.16Å
154L95.6Very high95.4Very high160 Ų16068.3 Ų68.384%0.83832%0.324SS*.THydrogen-bonded Turntrans55.831.7-179.1-54.5173.9000113.4N150 R151 E152N150-L154 PolarHBondContact O-N 3.26Å; R151-L154 PolarHBondContact O-N 2.92Å; E152-L154 PolarHBondContact O-N 3.42Å
155L95.8Very high95.6Very high57 Ų5767.5 Ų67.530%0.29831%0.313SS..PPolyproline II helixtrans-79.9162.7179.8-65.5177.7000111.8N150 Q153 Y209N150-L155 WeakPolarHBondContact ND2-CB 3.5Å; N150-L155 WeakPolarHBondContact O-CB 3.5Å; N150-L155 PolarHBondContact O-N 2.9Å; N150-L155 VanDerWaalsContact O-N 3.12Å; Q153-L155 HydrophobicContact CB-CD1 4.03Å; Q153-L155 HydrophobicContact CB-CG 3.82Å; Q153-L155 PolarHBondContact O-N 3.16Å; L155-Y209 HydrophobicContact CB-CE1 4.48Å
156P96.9Very high95.8Very high41 Ų4161.3 Ų61.327%0.26629%0.29SS..PPolyproline II helixtrans-57.5147.8177-2636000112.7N150 D160 Y209 H210N150-P156 PolarHBondContact OD1-O 3.06Å; P156-D160 HydrophobicContact CB-CB 3.75Å; P156-Y209 HydrophobicContact CB-CD1 4.24Å; P156-Y209 HydrophobicContact CB-CG 3.99Å; P156-Y209 HydrophobicContact CG-CD1 4.18Å; P156-Y209 HydrophobicContact CG-CD2 3.81Å; P156-Y209 HydrophobicContact CG-CE2 4.31Å; P156-Y209 HydrophobicContact CG-CG 3.74Å; P156-H210 PolarHBondContact O-NE2 3.1Å
157K97.6Very high95.7Very high113 Ų11361.4 Ų61.449%0.49129%0.291SS..PPolyproline II helixtrans-66.9162176.8-61179172.2-171.30111.3F159 D160 A184 G185 H210K157-F159 VanDerWaalsContact C-N 3.25Å; K157-F159 PolarHBondContact O-N 2.79Å; K157-F159 VanDerWaalsContact O-N 3.1Å; K157-D160 VanDerWaalsContact O-CB 3.28Å; K157-D160 WeakPolarHBondContact O-CB 3.36Å; K157-D160 PolarHBondContact O-N 3.18Å; K157-A184 WeakPolarHBondContact CD-O 3.41Å; K157-A184 PolarHBondContact NZ-O 3.43Å; K157-A184 VanDerWaalsContact NZ-O 3.12Å; K157-G185 WeakPolarHBondContact CB-O 3.49Å; K157-H210 PolarHBondContact O-CD2 2.72Å; K157-H210 PolarHBondContact O-NE2 3.42Å
158L97.4Very high95.4Very high7 Ų761.6 Ų61.64%0.03730%0.3CS..THydrogen-bonded Turntrans-49.2-43.2-173.2-176.961.2000114.3G185 H210 C253 F257L158-G185 PolarHBondContact N-O 3.44Å; L158-H210 VanDerWaalsContact CA-CD2 3.41Å; L158-H210 WeakPolarHBondContact CA-CD2 2.93Å; L158-H210 HydrophobicContact CD1-CB 4.15Å; L158-H210 PolarHBondContact O-CD2 3.08Å; L158-C253 WeakPolarHBondContact CD2-O 3.39Å; L158-F257 HydrophobicContact CB-CD2 4.19Å; L158-F257 HydrophobicContact CB-CE2 3.88Å; L158-F257 HydrophobicContact CB-CZ 4.39Å; L158-F257 HydrophobicContact CD1-CD2 4.48Å; L158-F257 HydrophobicContact CD2-CD2 4.31Å
159F97.6Very high95Very high1 Ų163.8 Ų63.80%0.00432%0.32CS..THydrogen-bonded Turntrans-107.822.2-175.9-57.8-50.3000113K157 G161 C162 F164 G185 G186 G187 F250 C253 V254 L259K157-F159 VanDerWaalsContact C-N 3.25Å; K157-F159 PolarHBondContact O-N 2.79Å; K157-F159 VanDerWaalsContact O-N 3.1Å; F159-G161 PolarHBondContact O-N 3.1Å; F159-C162 HydrophobicContact CB-CB 4.2Å; F159-C162 WeakPolarHBondContact O-CB 3.28Å; F159-C162 PolarHBondContact O-N 3.2Å; F159-F164 HydrophobicContact CB-CE2 3.92Å; F159-F164 HydrophobicContact CB-CZ 4.19Å; F159-F164 HydrophobicContact CD1-CE2 4.32Å; F159-F164 AromaticContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD2-CZ 4.44Å; F159-F164 HydrophobicContact CE1-CZ 4.17Å; F159-F164 HydrophobicContact CG-CE2 4.04Å; F159-F164 AromaticContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CG-CZ 3.88Å; F159-G185 WeakPolarHBondContact CA-O 3.49Å; F159-G185 WeakPolarHBondContact CB-O 3.48Å; F159-G185 PolarHBondContact N-O 3.15Å; F159-G186 CarbonylContact O-C 3.59Å; F159-G187 VanDerWaalsContact O-CA 3.32Å; F159-G187 WeakPolarHBondContact O-CA 3.41Å; F159-G187 PolarHBondContact O-N 3.47Å; F159-F250 HydrophobicContact CD2-CE2 4.05Å; F159-F250 HydrophobicContact CD2-CZ 4.44Å; F159-F250 HydrophobicContact CE1-CE2 4.31Å; F159-F250 HydrophobicContact CE2-CD2 4.22Å; F159-F250 AromaticContact CE2-CE2 3.36Å; F159-F250 HydrophobicContact CE2-CE2 3.36Å; F159-F250 AromaticContact CE2-CZ 3.66Å; F159-F250 HydrophobicContact CE2-CZ 3.66Å; F159-F250 AromaticContact CZ-CD2 3.91Å; F159-F250 HydrophobicContact CZ-CD2 3.91Å; F159-F250 AromaticContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CZ 4.14Å; F159-C253 HydrophobicContact CE1-CB 4.11Å; F159-C253 HydrophobicContact CZ-CB 4.06Å; F159-V254 HydrophobicContact CE2-CG2 3.72Å; F159-V254 HydrophobicContact CZ-CG2 3.83Å; F159-L259 HydrophobicContact CD1-CD1 4.28Å; F159-L259 HydrophobicContact CE1-CD1 4.19Å
160D95.1Very high94.7Very high75 Ų7562.2 Ų62.240%0.40131%0.311SS..THydrogen-bonded Turntrans-58.7128.4173.5-169.371.8000110.6P156 K157 C162P156-D160 HydrophobicContact CB-CB 3.75Å; K157-D160 VanDerWaalsContact O-CB 3.28Å; K157-D160 WeakPolarHBondContact O-CB 3.36Å; K157-D160 PolarHBondContact O-N 3.18Å; D160-C162 VanDerWaalsContact C-N 3.29Å; D160-C162 PolarHBondContact O-N 3.48Å
161G91.9Very high94.2Very high15 Ų1570.1 Ų70.116%0.15534%0.344CS..THydrogen-bonded Turntrans79.11.7-174.400000115.6F159 T206 T221F159-G161 PolarHBondContact O-N 3.1Å; G161-T206 PolarHBondContact O-OG1 2.87Å; G161-T206 VanDerWaalsContact O-OG1 3.14Å; G161-T221 WeakPolarHBondContact O-CB 3.37Å; G161-T221 PolarHBondContact O-OG1 3.26Å
162C95.5Very high93.6Very high1 Ų166.2 Ų66.21%0.00734%0.335CS..  trans-100.5145.5-180-62.10000113.4F159 D160 F164 G187 Q188 T221 Y223F159-C162 HydrophobicContact CB-CB 4.2Å; F159-C162 WeakPolarHBondContact O-CB 3.28Å; F159-C162 PolarHBondContact O-N 3.2Å; D160-C162 VanDerWaalsContact C-N 3.29Å; D160-C162 PolarHBondContact O-N 3.48Å; C162-F164 HydrophobicContact CB-CE2 3.56Å; C162-F164 HydrophobicContact CB-CZ 3.88Å; C162-G187 WeakPolarHBondContact O-CA 3.32Å; C162-Q188 PolarHBondContact O-N 3.01Å; C162-T221 CarbonylContact C-O 3.57Å; C162-T221 WeakPolarHBondContact CA-O 3.33Å; C162-Y223 HydrophobicContact CB-CD2 4.41Å; C162-Y223 HydrophobicContact CB-CE2 4.05Å
163Y95.2Very high93.3Very high39 Ų3962.5 Ų62.515%0.15332%0.317CS..EExtended strand (participates in β ladder)trans-122134.3-178.5-64.8-96.8000111Q188 L190 I204 T206 T221 Q222 Y223Y163-Q188 CarbonylContact C-O 3.58Å; Y163-Q188 WeakPolarHBondContact CA-O 3.28Å; Y163-Q188 HydrophobicContact CD1-CB 3.82Å; Y163-Q188 HydrophobicContact CE1-CB 4.02Å; Y163-Q188 HydrophobicContact CE1-CG 4.44Å; Y163-Q188 PolarHBondContact OH-OE1 3.08Å; Y163-L190 HydrophobicContact CD1-CD2 3.83Å; Y163-L190 HydrophobicContact CD1-CG 4.44Å; Y163-I204 HydrophobicContact CD2-CG2 4.36Å; Y163-I204 HydrophobicContact CE2-CG2 3.79Å; Y163-T206 HydrophobicContact CE2-CG2 4.06Å; Y163-T221 PolarHBondContact N-O 3.24Å; Y163-Q222 HydrophobicContact CD2-CG 4.37Å; Y163-Q222 HydrophobicContact CG-CG 4.43Å; Y163-Q222 CarbonylContact O-C 3.53Å; Y163-Q222 WeakPolarHBondContact O-CA 3.39Å; Y163-Y223 PolarHBondContact O-N 3.02Å
164F97Very high93.1Very high0 Ų059.2 Ų59.20%031%0.307CS..EExtended strand (participates in β ladder)trans-125.8125.7-174.2-62.2-91.9000111.4F159 C162 V182 Q188 I189 L190 Y223 I225 W249 F250F159-F164 HydrophobicContact CB-CE2 3.92Å; F159-F164 HydrophobicContact CB-CZ 4.19Å; F159-F164 HydrophobicContact CD1-CE2 4.32Å; F159-F164 AromaticContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD1-CZ 3.72Å; F159-F164 HydrophobicContact CD2-CZ 4.44Å; F159-F164 HydrophobicContact CE1-CZ 4.17Å; F159-F164 HydrophobicContact CG-CE2 4.04Å; F159-F164 AromaticContact CG-CZ 3.88Å; F159-F164 HydrophobicContact CG-CZ 3.88Å; C162-F164 HydrophobicContact CB-CE2 3.56Å; C162-F164 HydrophobicContact CB-CZ 3.88Å; F164-V182 HydrophobicContact CB-CG1 4.3Å; F164-V182 HydrophobicContact CB-CG2 4.06Å; F164-V182 HydrophobicContact CD1-CG2 4.37Å; F164-V182 HydrophobicContact CD2-CB 4.4Å; F164-V182 HydrophobicContact CD2-CG1 3.56Å; F164-V182 HydrophobicContact CD2-CG2 3.93Å; F164-V182 HydrophobicContact CE2-CG1 4.23Å; F164-V182 HydrophobicContact CG-CG1 4.17Å; F164-V182 HydrophobicContact CG-CG2 3.85Å; F164-Q188 PolarHBondContact N-O 3.39Å; F164-I189 HydrophobicContact CB-CD1 4.23Å; F164-I189 CarbonylContact O-C 3.58Å; F164-I189 WeakPolarHBondContact O-CA 3.29Å; F164-L190 PolarHBondContact O-N 2.91Å; F164-Y223 CarbonylContact C-O 3.56Å; F164-Y223 WeakPolarHBondContact CA-O 3.19Å; F164-Y223 HydrophobicContact CD1-CD2 4.34Å; F164-Y223 HydrophobicContact CD1-CG 4.33Å; F164-Y223 AromaticContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CG 4.03Å; F164-Y223 HydrophobicContact CZ-CD2 4.1Å; F164-I225 HydrophobicContact CD1-CD1 4.02Å; F164-I225 HydrophobicContact CD1-CG1 3.89Å; F164-I225 HydrophobicContact CE1-CD1 4.42Å; F164-W249 HydrophobicContact CE1-CH2 4.41Å; F164-W249 HydrophobicContact CE1-CZ3 4.18Å; F164-F250 HydrophobicContact CD1-CD2 4.18Å; F164-F250 HydrophobicContact CD1-CE2 4.26Å; F164-F250 AromaticContact CE1-CD2 3.75Å; F164-F250 HydrophobicContact CE1-CD2 3.75Å; F164-F250 AromaticContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CZ-CD2 4.36Å; F164-F250 HydrophobicContact CZ-CE2 4.14Å
165Y96.4Very high93Very high46 Ų4656.2 Ų56.218%0.1829%0.287CS..EExtended strand (participates in β ladder)trans-110115.9168.5177-106.3000109.3W167 L190 R192 K193 Y223 I224 I225Y165-W167 HydrophobicContact CD1-CB 3.95Å; Y165-W167 HydrophobicContact CE1-CB 3.65Å; Y165-W167 AromaticContact CE1-CD1 3.72Å; Y165-W167 HydrophobicContact CE1-CG 4.02Å; Y165-W167 PolarHBondContact O-N 3.23Å; Y165-L190 HydrophobicContact CD2-CB 4.38Å; Y165-L190 WeakPolarHBondContact CD2-O 3.49Å; Y165-R192 VanDerWaalsContact CD2-C 3.48Å; Y165-R192 WeakPolarHBondContact CD2-O 3.48Å; Y165-R192 VanDerWaalsContact CE2-C 3.49Å; Y165-K193 HydrophobicContact CD1-CB 4.09Å; Y165-K193 HydrophobicContact CD1-CG 4.02Å; Y165-K193 HydrophobicContact CE1-CB 3.6Å; Y165-K193 HydrophobicContact CE1-CD 4.29Å; Y165-K193 HydrophobicContact CE1-CG 3.76Å; Y165-K193 HydrophobicContact CE2-CB 4.21Å; Y165-K193 VanDerWaalsContact CE2-N 3.33Å; Y165-Y223 PolarHBondContact N-O 2.94Å; Y165-I224 HydrophobicContact CD1-CG1 4.23Å; Y165-I224 HydrophobicContact CD1-CG2 4.13Å; Y165-I224 CarbonylContact O-C 3.5Å; Y165-I224 WeakPolarHBondContact O-CA 3.48Å; Y165-I225 PolarHBondContact O-N 3.39Å
166L95.8Very high93Very high10 Ų1058.7 Ų58.75%0.05230%0.301CS..EExtended strand (participates in β ladder)trans-85.4104.9178.8-55.7-176.3000109.7F170 K175 L178 I179 I189 I225L166-F170 HydrophobicContact CB-CE2 3.82Å; L166-F170 HydrophobicContact CB-CZ 3.98Å; L166-F170 HydrophobicContact CD2-CZ 4.45Å; L166-K175 HydrophobicContact CB-CG 4.41Å; L166-K175 HydrophobicContact CD1-CG 3.62Å; L166-L178 HydrophobicContact CD1-CB 3.86Å; L166-L178 HydrophobicContact CD2-CB 4.29Å; L166-L178 HydrophobicContact CD2-CD1 4.26Å; L166-I179 HydrophobicContact CD1-CD1 4.41Å; L166-I179 HydrophobicContact CD1-CG1 3.7Å; L166-I189 HydrophobicContact CD1-CD1 4.39Å; L166-I189 HydrophobicContact CG-CD1 4.41Å; L166-I225 HydrophobicContact CD2-CB 3.77Å; L166-I225 HydrophobicContact CD2-CG1 4.05Å; L166-I225 HydrophobicContact CD2-CG2 4.25Å
167W93.3Very high92.9Very high90 Ų9060.8 Ų60.834%0.34131%0.31SS..  trans-99.1130.1-173.8-176.760.2000112.3Y165 I224 I225 Y232Y165-W167 HydrophobicContact CD1-CB 3.95Å; Y165-W167 HydrophobicContact CE1-CB 3.65Å; Y165-W167 AromaticContact CE1-CD1 3.72Å; Y165-W167 HydrophobicContact CE1-CG 4.02Å; Y165-W167 PolarHBondContact O-N 3.23Å; W167-I224 HydrophobicContact CB-CG2 3.72Å; W167-I224 HydrophobicContact CG-CG2 4.33Å; W167-I225 PolarHBondContact N-O 3.06Å; W167-Y232 HydrophobicContact CH2-CD2 4.24Å; W167-Y232 AromaticContact CH2-CE2 3.97Å; W167-Y232 HydrophobicContact CH2-CE2 3.97Å; W167-Y232 AromaticContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD2 4.18Å; W167-Y232 AromaticContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE2 4.05Å; W167-Y232 HydrophobicContact CZ3-CG 4.15Å; W167-Y232 AromaticContact CZ3-CZ 3.87Å
168G88.6Confident92.8Very high51 Ų5155.5 Ų55.553%0.52629%0.287SS..SBendtrans88-160175.700000114
169T86.9Confident92.8Very high104 Ų10457.8 Ų57.864%0.63830%0.298SS*.  trans-97.6143.8177.749.70000110
170F89Confident92.8Very high28 Ų2864.3 Ų64.312%0.12333%0.327CS..  trans-124.5113.4-178.8-69-95.9000109.5L166 H173 K175 L178 I225 E227L166-F170 HydrophobicContact CB-CE2 3.82Å; L166-F170 HydrophobicContact CB-CZ 3.98Å; L166-F170 HydrophobicContact CD2-CZ 4.45Å; F170-H173 VanDerWaalsContact CB-O 3.24Å; F170-H173 WeakPolarHBondContact CB-O 3.16Å; F170-K175 HydrophobicContact CD2-CB 4.32Å; F170-K175 HydrophobicContact CD2-CG 4.41Å; F170-L178 HydrophobicContact CD1-CD1 3.54Å; F170-L178 HydrophobicContact CE1-CD1 3.49Å; F170-L178 VanDerWaalsContact CE1-CD1 3.49Å; F170-L178 HydrophobicContact CG-CD1 4.3Å; F170-L178 HydrophobicContact CZ-CD1 4.23Å; F170-I225 HydrophobicContact CE1-CG2 4.25Å; F170-I225 HydrophobicContact CZ-CG2 4.44Å; F170-E227 HydrophobicContact CD1-CB 4.2Å; F170-E227 HydrophobicContact CE1-CB 4.47Å
171K85.6Confident92.9Very high184 Ų18463.6 Ų63.680%0.832%0.323SS*.SBendtrans-101.9-45.4179.1-65.3-175.9179.2-179.50112.3E227K171-E227 PolarHBondContact N-OE1 3.13Å; K171-E227 PolarHBondContact N-OE2 3.31Å
172H84.4Confident93.2Very high124 Ų12462.9 Ų62.957%0.57432%0.315SS*.SBendtrans-82.2-40.4-176.8-171.4-94000111.8P174 E227 L229H172-P174 WeakPolarHBondContact O-CD 3.46Å; H172-E227 PolarHBondContact N-OE1 2.83Å; H172-L229 HydrophobicContact CB-CD1 4.23Å
173H87.8Confident93.3Very high37 Ų3767 Ų6717%0.17134%0.341CS..SBendtrans-113.687.3176.9-61.9136.5000110.4F170 K175 L178 E227 S247F170-H173 VanDerWaalsContact CB-O 3.24Å; F170-H173 WeakPolarHBondContact CB-O 3.16Å; H173-K175 PolarHBondContact O-N 3.22Å; H173-L178 HydrophobicContact CB-CD1 4.19Å; H173-L178 HydrophobicContact CB-CD2 4.19Å; H173-L178 HydrophobicContact CB-CG 4.3Å; H173-E227 PolarHBondContact N-OE1 3.14Å; H173-S247 WeakPolarHBondContact ND1-CB 3.48Å; H173-S247 PolarHBondContact ND1-OG 3.2Å
174P91.7Very high93.3Very high60 Ų6068.3 Ų68.339%0.3936%0.36SS..  trans-48.9131.4-174.3-28.934.3000112.6H172 D176 N177 L178H172-P174 WeakPolarHBondContact O-CD 3.46Å; P174-D176 PolarHBondContact O-N 3.33Å; P174-D176 VanDerWaalsContact O-N 3.13Å; P174-N177 WeakPolarHBondContact O-CB 3.46Å; P174-N177 PolarHBondContact O-N 3.46Å; P174-L178 PolarHBondContact O-N 3.17Å
175K93.6Very high93.3Very high98 Ų9869 Ų6943%0.42637%0.367SS..Hα-helixtrans-53.2-39.8-173.9-169.8178.1178.7170.80112.8L166 F170 H173 N177 L178 I179L166-K175 HydrophobicContact CB-CG 4.41Å; L166-K175 HydrophobicContact CD1-CG 3.62Å; F170-K175 HydrophobicContact CD2-CB 4.32Å; F170-K175 HydrophobicContact CD2-CG 4.41Å; H173-K175 PolarHBondContact O-N 3.22Å; K175-N177 VanDerWaalsContact C-N 3.3Å; K175-N177 PolarHBondContact O-N 3.15Å; K175-L178 PolarHBondContact O-N 3.06Å; K175-I179 HydrophobicContact CG-CD1 4.17Å; K175-I179 WeakPolarHBondContact O-CG1 3.28Å; K175-I179 PolarHBondContact O-N 2.84Å
176D94.9Very high93.3Very high108 Ų10867.9 Ų67.958%0.57837%0.369SS*.Hα-helixtrans-64.1-34.2178.8-64.9-21.2000112.8P174 K180P174-D176 PolarHBondContact O-N 3.33Å; P174-D176 VanDerWaalsContact O-N 3.13Å; D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.26Å; D176-K180 PolarHBondContact O-N 3.05Å
177N95.7Very high93.3Very high85 Ų8567.8 Ų67.846%0.45537%0.371SS..Hα-helixtrans-69.4-42.3175.4-69.3-4000110.5P174 K175 I179 K180 L181P174-N177 WeakPolarHBondContact O-CB 3.46Å; P174-N177 PolarHBondContact O-N 3.46Å; K175-N177 VanDerWaalsContact C-N 3.3Å; K175-N177 PolarHBondContact O-N 3.15Å; N177-I179 VanDerWaalsContact C-N 3.35Å; N177-I179 PolarHBondContact O-N 3.46Å; N177-K180 PolarHBondContact O-N 3.14Å; N177-L181 WeakPolarHBondContact O-CB 3.49Å; N177-L181 VanDerWaalsContact O-CG 3.29Å; N177-L181 WeakPolarHBondContact O-CG 3.39Å; N177-L181 PolarHBondContact O-N 3.4Å
178L95.6Very high93.5Very high2 Ų268.7 Ų68.71%0.0138%0.379CS..Hα-helixtrans-61.1-43.3175.2-63.5178.2000111.5L166 F170 H173 P174 K175 K180 L181 V182 F250 I251L166-L178 HydrophobicContact CD1-CB 3.86Å; L166-L178 HydrophobicContact CD2-CB 4.29Å; L166-L178 HydrophobicContact CD2-CD1 4.26Å; F170-L178 HydrophobicContact CD1-CD1 3.54Å; F170-L178 HydrophobicContact CE1-CD1 3.49Å; F170-L178 VanDerWaalsContact CE1-CD1 3.49Å; F170-L178 HydrophobicContact CG-CD1 4.3Å; F170-L178 HydrophobicContact CZ-CD1 4.23Å; H173-L178 HydrophobicContact CB-CD1 4.19Å; H173-L178 HydrophobicContact CB-CD2 4.19Å; H173-L178 HydrophobicContact CB-CG 4.3Å; P174-L178 PolarHBondContact O-N 3.17Å; K175-L178 PolarHBondContact O-N 3.06Å; L178-K180 VanDerWaalsContact C-N 3.35Å; L178-K180 PolarHBondContact O-N 3.02Å; L178-L181 PolarHBondContact O-N 3.1Å; L178-V182 WeakPolarHBondContact O-CG2 3.46Å; L178-V182 PolarHBondContact O-N 2.87Å; L178-F250 HydrophobicContact CD2-CD1 3.79Å; L178-F250 HydrophobicContact CD2-CE1 3.97Å; L178-I251 HydrophobicContact CD2-CD1 4.17Å
179I96.8Very high93.8Very high55 Ų5569.4 Ų69.428%0.28237%0.37SS..Hα-helixtrans-59.4-45.6175.6-69.6167.8000111.2L166 K175 N177 L181 V182 T183 I189L166-I179 HydrophobicContact CD1-CD1 4.41Å; L166-I179 HydrophobicContact CD1-CG1 3.7Å; K175-I179 HydrophobicContact CG-CD1 4.17Å; K175-I179 WeakPolarHBondContact O-CG1 3.28Å; K175-I179 PolarHBondContact O-N 2.84Å; N177-I179 VanDerWaalsContact C-N 3.35Å; N177-I179 PolarHBondContact O-N 3.46Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-L181 PolarHBondContact O-N 3.35Å; I179-V182 PolarHBondContact O-N 3.4Å; I179-T183 WeakPolarHBondContact O-CB 3.1Å; I179-T183 PolarHBondContact O-N 3.14Å; I179-T183 PolarHBondContact O-OG1 3.12Å; I179-I189 HydrophobicContact CG1-CD1 4.13Å; I179-I189 HydrophobicContact CG1-CG1 4.35Å; I179-I189 HydrophobicContact CG2-CG1 4.32Å
180K97.6Very high94.2Very high139 Ų13966.5 Ų66.560%0.60435%0.35SS*.Hα-helixtrans-61.2-43.5176.8-73.2169.8-175.11740111.6D176 N177 L178 T183 A184D176-K180 VanDerWaalsContact O-CG 3.26Å; D176-K180 WeakPolarHBondContact O-CG 3.26Å; D176-K180 PolarHBondContact O-N 3.05Å; N177-K180 PolarHBondContact O-N 3.14Å; L178-K180 VanDerWaalsContact C-N 3.35Å; L178-K180 PolarHBondContact O-N 3.02Å; K180-T183 PolarHBondContact O-N 2.94Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.23Å; K180-A184 PolarHBondContact O-N 3.37Å
181L97.8Very high94.2Very high59 Ų5970.6 Ų70.631%0.30938%0.382SS..Hα-helixtrans-64.9-46.3178.9-72.3172.4000112.1N177 L178 I179 T183 A184 G185 F250 I251 V254N177-L181 WeakPolarHBondContact O-CB 3.49Å; N177-L181 VanDerWaalsContact O-CG 3.29Å; N177-L181 WeakPolarHBondContact O-CG 3.39Å; N177-L181 PolarHBondContact O-N 3.4Å; L178-L181 PolarHBondContact O-N 3.1Å; I179-L181 VanDerWaalsContact C-N 3.35Å; I179-L181 PolarHBondContact O-N 3.35Å; L181-T183 VanDerWaalsContact C-N 3.33Å; L181-T183 PolarHBondContact O-N 2.89Å; L181-A184 PolarHBondContact O-N 3.38Å; L181-G185 PolarHBondContact O-N 3.35Å; L181-F250 HydrophobicContact CB-CE1 3.7Å; L181-F250 HydrophobicContact CB-CZ 3.84Å; L181-F250 HydrophobicContact CD1-CE1 3.97Å; L181-I251 HydrophobicContact CD1-CD1 3.88Å; L181-V254 HydrophobicContact CD2-CG1 4.36Å
182V97.7Very high94.5Very high1 Ų171.7 Ų71.71%0.00638%0.381CS..Hα-helixtrans-56.7-50.1175.8168.80000110.1F164 L178 I179 A184 G185 G186 G187 I189 F250F164-V182 HydrophobicContact CB-CG1 4.3Å; F164-V182 HydrophobicContact CB-CG2 4.06Å; F164-V182 HydrophobicContact CD1-CG2 4.37Å; F164-V182 HydrophobicContact CD2-CB 4.4Å; F164-V182 HydrophobicContact CD2-CG1 3.56Å; F164-V182 HydrophobicContact CD2-CG2 3.93Å; F164-V182 HydrophobicContact CE2-CG1 4.23Å; F164-V182 HydrophobicContact CG-CG1 4.17Å; F164-V182 HydrophobicContact CG-CG2 3.85Å; L178-V182 WeakPolarHBondContact O-CG2 3.46Å; L178-V182 PolarHBondContact O-N 2.87Å; I179-V182 PolarHBondContact O-N 3.4Å; V182-A184 PolarHBondContact O-N 3.37Å; V182-G185 CarbonylContact O-C 3.53Å; V182-G185 PolarHBondContact O-N 3.45Å; V182-G186 PolarHBondContact O-N 2.87Å; V182-G186 VanDerWaalsContact O-N 3.15Å; V182-G187 VanDerWaalsContact CG1-C 3.49Å; V182-G187 WeakPolarHBondContact CG1-O 3.34Å; V182-G187 PolarHBondContact O-N 3.46Å; V182-I189 HydrophobicContact CB-CD1 3.8Å; V182-I189 HydrophobicContact CB-CG1 4.28Å; V182-I189 HydrophobicContact CG1-CD1 3.68Å; V182-I189 HydrophobicContact CG1-CG1 3.9Å; V182-I189 HydrophobicContact CG2-CD1 3.89Å; V182-F250 HydrophobicContact CB-CZ 4.49Å; V182-F250 HydrophobicContact CG2-CE2 3.61Å; V182-F250 HydrophobicContact CG2-CZ 3.54Å
183T97.3Very high94.8Very high87 Ų8770.8 Ų70.853%0.53438%0.375SS..Hα-helixtrans-64.4-43.7-178.5-51.30000111.7I179 K180 L181 G185 G186I179-T183 WeakPolarHBondContact O-CB 3.1Å; I179-T183 PolarHBondContact O-N 3.14Å; I179-T183 PolarHBondContact O-OG1 3.12Å; K180-T183 PolarHBondContact O-N 2.94Å; L181-T183 VanDerWaalsContact C-N 3.33Å; L181-T183 PolarHBondContact O-N 2.89Å; T183-G185 VanDerWaalsContact C-N 3.31Å; T183-G185 PolarHBondContact O-N 2.82Å; T183-G186 PolarHBondContact O-N 3.33Å
184A97Very high94.8Very high67 Ų6769.5 Ų69.555%0.55437%0.371SS*.Hα-helixtrans-61.8-41.7177.700000111.6K157 K180 L181 V182 G186K157-A184 WeakPolarHBondContact CD-O 3.41Å; K157-A184 PolarHBondContact NZ-O 3.43Å; K157-A184 VanDerWaalsContact NZ-O 3.12Å; K180-A184 VanDerWaalsContact O-CB 3.23Å; K180-A184 WeakPolarHBondContact O-CB 3.23Å; K180-A184 PolarHBondContact O-N 3.37Å; L181-A184 PolarHBondContact O-N 3.38Å; V182-A184 PolarHBondContact O-N 3.37Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3Å
185G96.6Very high94.4Very high14 Ų1473.3 Ų73.314%0.14438%0.381CS..THydrogen-bonded Turntrans-76.4-0177.900000115.5K157 L158 F159 L181 V182 T183K157-G185 WeakPolarHBondContact CB-O 3.49Å; L158-G185 PolarHBondContact N-O 3.44Å; F159-G185 WeakPolarHBondContact CA-O 3.49Å; F159-G185 WeakPolarHBondContact CB-O 3.48Å; F159-G185 PolarHBondContact N-O 3.15Å; L181-G185 PolarHBondContact O-N 3.35Å; V182-G185 CarbonylContact O-C 3.53Å; V182-G185 PolarHBondContact O-N 3.45Å; T183-G185 VanDerWaalsContact C-N 3.31Å; T183-G185 PolarHBondContact O-N 2.82Å
186G96.3Very high93.5Very high22 Ų2270.9 Ų70.923%0.22738%0.375CS..THydrogen-bonded Turntrans87.15.2176.500000115.5F159 V182 T183 A184F159-G186 CarbonylContact O-C 3.59Å; V182-G186 PolarHBondContact O-N 2.87Å; V182-G186 VanDerWaalsContact O-N 3.15Å; T183-G186 PolarHBondContact O-N 3.33Å; A184-G186 VanDerWaalsContact C-N 3.26Å; A184-G186 PolarHBondContact O-N 3Å
187G96.3Very high92.3Very high9 Ų971.6 Ų71.69%0.09338%0.379CS..  trans-82.3162.4175.800000112.8F159 C162 V182F159-G187 VanDerWaalsContact O-CA 3.32Å; F159-G187 WeakPolarHBondContact O-CA 3.41Å; F159-G187 PolarHBondContact O-N 3.47Å; C162-G187 WeakPolarHBondContact O-CA 3.32Å; V182-G187 VanDerWaalsContact CG1-C 3.49Å; V182-G187 WeakPolarHBondContact CG1-O 3.34Å; V182-G187 PolarHBondContact O-N 3.46Å
188Q95.4Very high91.2Very high109 Ų10969.1 Ų69.151%0.50937%0.368SS..EExtended strand (participates in β ladder)trans-109.2132.7-179.9-64-168.4-28.100111.7C162 Y163 F164C162-Q188 PolarHBondContact O-N 3.01Å; Y163-Q188 CarbonylContact C-O 3.58Å; Y163-Q188 WeakPolarHBondContact CA-O 3.28Å; Y163-Q188 HydrophobicContact CD1-CB 3.82Å; Y163-Q188 HydrophobicContact CE1-CB 4.02Å; Y163-Q188 HydrophobicContact CE1-CG 4.44Å; Y163-Q188 PolarHBondContact OH-OE1 3.08Å; F164-Q188 PolarHBondContact N-O 3.39Å
189I96.6Very high89.6Confident66 Ų6674.9 Ų74.934%0.33840%0.399SS..EExtended strand (participates in β ladder)trans-84.7127175.7-65.8-70.7000110.3F164 L166 I179 V182F164-I189 HydrophobicContact CB-CD1 4.23Å; F164-I189 CarbonylContact O-C 3.58Å; F164-I189 WeakPolarHBondContact O-CA 3.29Å; L166-I189 HydrophobicContact CD1-CD1 4.39Å; L166-I189 HydrophobicContact CG-CD1 4.41Å; I179-I189 HydrophobicContact CG1-CD1 4.13Å; I179-I189 HydrophobicContact CG1-CG1 4.35Å; I179-I189 HydrophobicContact CG2-CG1 4.32Å; V182-I189 HydrophobicContact CB-CD1 3.8Å; V182-I189 HydrophobicContact CB-CG1 4.28Å; V182-I189 HydrophobicContact CG1-CD1 3.68Å; V182-I189 HydrophobicContact CG1-CG1 3.9Å; V182-I189 HydrophobicContact CG2-CD1 3.89Å
190L93.8Very high88.3Confident42 Ų4277.4 Ų77.422%0.2242%0.417CS..  trans-87.6128.1171.7-62.8177.8000110.1Y163 F164 Y165 P194Y163-L190 HydrophobicContact CD1-CD2 3.83Å; Y163-L190 HydrophobicContact CD1-CG 4.44Å; F164-L190 PolarHBondContact O-N 2.91Å; Y165-L190 HydrophobicContact CD2-CB 4.38Å; Y165-L190 WeakPolarHBondContact CD2-O 3.49Å; L190-P194 HydrophobicContact CD1-CB 4.13Å; L190-P194 HydrophobicContact CD1-CG 3.99Å
191S90.9Very high86.7Confident114 Ų11471.2 Ų71.280%0.79739%0.391SS*.SBendtrans-78.5-22.6175.258.50000113
192R90.4Very high85.2Confident208 Ų20873.4 Ų73.479%0.78540%0.4SS*.SBendtrans-122.1147.7-179.2-62.4-177.6-178.3-174.50.4110.1Y165Y165-R192 VanDerWaalsContact CD2-C 3.48Å; Y165-R192 WeakPolarHBondContact CD2-O 3.48Å; Y165-R192 VanDerWaalsContact CE2-C 3.49Å
193K90.9Very high83.6Confident104 Ų10478.4 Ų78.445%0.45243%0.43SS..PPolyproline II helixtrans-61.5125.1177-173.1175.8179.5177.70109.5Y165 K195 I224Y165-K193 HydrophobicContact CD1-CB 4.09Å; Y165-K193 HydrophobicContact CD1-CG 4.02Å; Y165-K193 HydrophobicContact CE1-CB 3.6Å; Y165-K193 HydrophobicContact CE1-CD 4.29Å; Y165-K193 HydrophobicContact CE1-CG 3.76Å; Y165-K193 HydrophobicContact CE2-CB 4.21Å; Y165-K193 VanDerWaalsContact CE2-N 3.33Å; K193-K195 PolarHBondContact O-N 3.3Å; K193-I224 HydrophobicContact CG-CD1 4.2Å
194P88Confident82.3Confident11 Ų1175.7 Ų75.77%0.07141%0.412CS..PPolyproline II helixtrans-66.4135176.126-32.1000109.7L190 T201 I224 V242L190-P194 HydrophobicContact CD1-CB 4.13Å; L190-P194 HydrophobicContact CD1-CG 3.99Å; P194-T201 HydrophobicContact CB-CG2 3.89Å; P194-I224 HydrophobicContact CG-CD1 4.16Å; P194-I224 HydrophobicContact CG-CG1 3.93Å; P194-V242 HydrophobicContact CB-CG1 4.46Å; P194-V242 HydrophobicContact CB-CG2 4.06Å; P194-V242 HydrophobicContact CG-CG1 3.83Å; P194-V242 HydrophobicContact CG-CG2 4.33Å
195K83.9Confident81.1Confident139 Ų13979.2 Ų79.260%0.60442%0.421SS*.PPolyproline II helixtrans-103.1118.9177.6-70.6-171.6-178.3-175.90108K193 D197 S198 T201K193-K195 PolarHBondContact O-N 3.3Å; K195-D197 WeakPolarHBondContact CB-OD1 3.25Å; K195-D197 PolarHBondContact O-N 3.44Å; K195-D197 VanDerWaalsContact O-N 3.11Å; K195-S198 PolarHBondContact O-N 3.04Å; K195-S198 VanDerWaalsContact O-N 3.07Å; K195-S198 PolarHBondContact O-OG 3.07Å; K195-T201 VanDerWaalsContact O-CG2 3.24Å; K195-T201 WeakPolarHBondContact O-CG2 3.47Å; K195-T201 PolarHBondContact O-OG1 3.09Å
196P73.4Confident80.3Confident48 Ų4880.4 Ų80.431%0.31243%0.426SS..THydrogen-bonded Turntrans-63.5-20.2-171.726.2-34.5000114Q202 Q239P196-Q202 PolarHBondContact O-NE2 3.49Å; P196-Q239 HydrophobicContact CB-CB 4.42Å; P196-Q239 HydrophobicContact CB-CG 3.9Å; P196-Q239 WeakPolarHBondContact CB-O 3.33Å; P196-Q239 HydrophobicContact CG-CG 3.79Å
197D69.3Low80Confident123 Ų12383 Ų8366%0.65844%0.437SS*.THydrogen-bonded Turntrans-94.8-1.4-179.557.3-35000113.8K195K195-D197 WeakPolarHBondContact CB-OD1 3.25Å; K195-D197 PolarHBondContact O-N 3.44Å; K195-D197 VanDerWaalsContact O-N 3.11Å
198S74.1Confident79.7Confident32 Ų3282.6 Ų82.622%0.22443%0.433CS..SBendtrans-86.5140.4-17979.70000113K195 V200 T201 Q202K195-S198 PolarHBondContact O-N 3.04Å; K195-S198 VanDerWaalsContact O-N 3.07Å; K195-S198 PolarHBondContact O-OG 3.07Å; S198-V200 PolarHBondContact O-N 2.83Å; S198-V200 VanDerWaalsContact O-N 3.11Å; S198-T201 PolarHBondContact O-N 3.42Å; S198-T201 PolarHBondContact O-OG1 2.75Å; S198-T201 WeakPolarHBondContact OG-CG2 3.26Å; S198-T201 PolarHBondContact OG-N 3.12Å; S198-T201 PolarHBondContact OG-OG1 3.47Å; S198-Q202 WeakPolarHBondContact O-CG 3.42Å; S198-Q202 PolarHBondContact O-N 3.22Å; S198-Q202 VanDerWaalsContact O-N 3.13Å
199D61.4Low79.5Confident124 Ų12483.1 Ų83.166%0.66343%0.431SS*.Hα-helixtrans-52.4-36.1175.6-63.1-29.1000112.3T201 Q202 T203D199-T201 PolarHBondContact O-N 3.42Å; D199-Q202 PolarHBondContact O-N 3.26Å; D199-T203 WeakPolarHBondContact O-CB 3.49Å; D199-T203 WeakPolarHBondContact O-CG2 3.49Å; D199-T203 PolarHBondContact O-N 3.38Å; D199-T203 PolarHBondContact O-OG1 3.44Å
200V69Low79.4Confident108 Ų10881.7 Ų81.766%0.65542%0.423SS*.Hα-helixtrans-63.3-40.8177.8-179.60000111.8S198 T203 I204S198-V200 PolarHBondContact O-N 2.83Å; S198-V200 VanDerWaalsContact O-N 3.11Å; V200-T203 PolarHBondContact O-OG1 3Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å
201T65.4Low79.4Confident8 Ų880.1 Ų80.15%0.04942%0.416CS..Hα-helixtrans-76.4-26.9178.563.10000112.6P194 K195 S198 D199 Q222P194-T201 HydrophobicContact CB-CG2 3.89Å; K195-T201 VanDerWaalsContact O-CG2 3.24Å; K195-T201 WeakPolarHBondContact O-CG2 3.47Å; K195-T201 PolarHBondContact O-OG1 3.09Å; S198-T201 PolarHBondContact O-N 3.42Å; S198-T201 PolarHBondContact O-OG1 2.75Å; S198-T201 WeakPolarHBondContact OG-CG2 3.26Å; S198-T201 PolarHBondContact OG-N 3.12Å; S198-T201 PolarHBondContact OG-OG1 3.47Å; D199-T201 PolarHBondContact O-N 3.42Å; T201-Q222 VanDerWaalsContact CG2-OE1 3.22Å; T201-Q222 PolarHBondContact O-NE2 3.47Å; T201-Q222 VanDerWaalsContact O-NE2 3.11Å
202Q65.3Low79.3Confident106 Ų10680.3 Ų80.350%0.49540%0.4SS..Hα-helixtrans-80.7-32.9-179.7-66.2-17910.500112.3P196 S198 D199 I204 K241P196-Q202 PolarHBondContact O-NE2 3.49Å; S198-Q202 WeakPolarHBondContact O-CG 3.42Å; S198-Q202 PolarHBondContact O-N 3.22Å; S198-Q202 VanDerWaalsContact O-N 3.13Å; D199-Q202 PolarHBondContact O-N 3.26Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; Q202-K241 PolarHBondContact O-NZ 2.98Å
203T64.3Low79.1Confident105 Ų10575.2 Ų75.264%0.64439%0.394SS*.Hα-helixtrans-76.5-13.8177.649.40000114.2D199 V200 N205D199-T203 WeakPolarHBondContact O-CB 3.49Å; D199-T203 WeakPolarHBondContact O-CG2 3.49Å; D199-T203 PolarHBondContact O-N 3.38Å; D199-T203 PolarHBondContact O-OG1 3.44Å; V200-T203 PolarHBondContact O-OG1 3Å; T203-N205 PolarHBondContact O-N 2.88Å
204I69.4Low78.9Confident31 Ų3177 Ų7716%0.15941%0.408CS..  trans-63.4111.7170.8-69.2166.6000108.6Y163 V200 Q202 T206 Q222 K241Y163-I204 HydrophobicContact CD2-CG2 4.36Å; Y163-I204 HydrophobicContact CE2-CG2 3.79Å; V200-I204 WeakPolarHBondContact O-CG1 3.36Å; Q202-I204 VanDerWaalsContact C-N 3.33Å; I204-T206 HydrophobicContact CG2-CG2 4.28Å; I204-T206 WeakPolarHBondContact CG2-OG1 3.48Å; I204-Q222 HydrophobicContact CD1-CG 4.41Å; I204-K241 PolarHBondContact O-NZ 3.09Å
205N72.5Confident79.1Confident140 Ų14077.2 Ų77.275%0.74941%0.41SS*.  trans-113.725.9179.9-159.529.1000112.1T203T203-N205 PolarHBondContact O-N 2.88Å
206T80.3Confident79.4Confident40 Ų4074 Ų7425%0.24540%0.399CS..  trans-73.3142.9174.551.20000110G161 Y163 I204 T221G161-T206 PolarHBondContact O-OG1 2.87Å; G161-T206 VanDerWaalsContact O-OG1 3.14Å; Y163-T206 HydrophobicContact CE2-CG2 4.06Å; I204-T206 HydrophobicContact CG2-CG2 4.28Å; I204-T206 WeakPolarHBondContact CG2-OG1 3.48Å; T206-T221 WeakPolarHBondContact O-CG2 3.36Å; T206-T221 PolarHBondContact OG1-OG1 3.05Å; T206-T221 VanDerWaalsContact OG1-OG1 3.13Å
207V88.8Confident80.3Confident75 Ų7571.7 Ų71.746%0.45538%0.384SS..  trans-108.3138.3174.6-66.30000110.3Y209 R218 F219V207-Y209 PolarHBondContact O-N 3.09Å; V207-R218 VanDerWaalsContact CA-O 3.25Å; V207-R218 WeakPolarHBondContact CA-O 3.26Å; V207-F219 HydrophobicContact CG1-CD1 3.84Å; V207-F219 HydrophobicContact CG1-CE1 3.76Å
208A91.6Very high81.2Confident2 Ų270.6 Ų70.62%0.01737%0.371CS..  trans-83.8110.417300000109.5H210 A211 R218 T221 L259A208-H210 VanDerWaalsContact C-N 3.29Å; A208-H210 PolarHBondContact O-N 3.24Å; A208-A211 HydrophobicContact CB-CB 3.93Å; A208-A211 WeakPolarHBondContact O-CB 3.44Å; A208-A211 PolarHBondContact O-N 2.73Å; A208-R218 PolarHBondContact N-O 3.01Å; A208-R218 VanDerWaalsContact N-O 3.07Å; A208-T221 HydrophobicContact CB-CG2 3.84Å; A208-L259 HydrophobicContact CB-CD2 3.96Å
209Y90.9Very high81.9Confident119 Ų11974.2 Ų74.247%0.46738%0.383SS..THydrogen-bonded Turntrans-59.2-39-176.5178.7-92.6000112.9L155 P156 V207 A211L155-Y209 HydrophobicContact CB-CE1 4.48Å; P156-Y209 HydrophobicContact CB-CD1 4.24Å; P156-Y209 HydrophobicContact CB-CG 3.99Å; P156-Y209 HydrophobicContact CG-CD1 4.18Å; P156-Y209 HydrophobicContact CG-CD2 3.81Å; P156-Y209 HydrophobicContact CG-CE2 4.31Å; P156-Y209 HydrophobicContact CG-CG 3.74Å; V207-Y209 PolarHBondContact O-N 3.09Å; Y209-A211 VanDerWaalsContact C-N 3.32Å
210H94Very high83.2Confident37 Ų3769 Ų6917%0.17136%0.356CS..THydrogen-bonded Turntrans-86.40.5-177.5-69.6-84.5000114N150 P156 K157 L158 A208 F257 L259N150-H210 PolarHBondContact ND2-CE1 3.47Å; N150-H210 VanDerWaalsContact ND2-CE1 3.32Å; P156-H210 PolarHBondContact O-NE2 3.1Å; K157-H210 PolarHBondContact O-CD2 2.72Å; K157-H210 PolarHBondContact O-NE2 3.42Å; L158-H210 VanDerWaalsContact CA-CD2 3.41Å; L158-H210 WeakPolarHBondContact CA-CD2 2.93Å; L158-H210 HydrophobicContact CD1-CB 4.15Å; L158-H210 PolarHBondContact O-CD2 3.08Å; A208-H210 VanDerWaalsContact C-N 3.29Å; A208-H210 PolarHBondContact O-N 3.24Å; H210-F257 AromaticContact CE1-CE1 3.78Å; H210-L259 HydrophobicContact CB-CB 4.23Å
211A92.9Very high84.3Confident9 Ų963.9 Ų63.97%0.07433%0.325CS..SBendtrans-71147171.100000110.4A208 Y209 Q217 R218 L259A208-A211 HydrophobicContact CB-CB 3.93Å; A208-A211 WeakPolarHBondContact O-CB 3.44Å; A208-A211 PolarHBondContact O-N 2.73Å; Y209-A211 VanDerWaalsContact C-N 3.32Å; A211-Q217 HydrophobicContact CB-CB 4.16Å; A211-R218 HydrophobicContact CB-CB 3.97Å; A211-L259 HydrophobicContact CB-CD2 3.85Å
212R89.4Confident85.6Confident117 Ų11763.6 Ų63.644%0.44232%0.323SS..  trans-61.2143.6172.8-61.2-175.5178.3170.41.6110.2D214 S215 E258R212-D214 VanDerWaalsContact CB-OD1 3.26Å; R212-D214 WeakPolarHBondContact CB-OD1 3.22Å; R212-D214 PolarHBondContact O-N 3.5Å; R212-D214 VanDerWaalsContact O-N 3.11Å; R212-S215 PolarHBondContact O-N 3.36Å; R212-E258 IonicContact NH2-OE1 3.24Å; R212-E258 PolarHBondContact NH2-OE1 3.21Å
213P86Confident87.1Confident102 Ų10258.5 Ų58.566%0.66230%0.299SS*.THydrogen-bonded Turntrans-58.5-28.7-173.7-26.935.5000114.9R218P213-R218 PolarHBondContact O-NH1 3.45Å
214D88Confident88.5Confident141 Ų14153.9 Ų53.975%0.75427%0.271SS*.THydrogen-bonded Turntrans-96.1-3.3-178.459-25.4000113.7R212R212-D214 VanDerWaalsContact CB-OD1 3.26Å; R212-D214 WeakPolarHBondContact CB-OD1 3.22Å; R212-D214 PolarHBondContact O-N 3.5Å; R212-D214 VanDerWaalsContact O-N 3.11Å
215S90.2Very high89.8Confident16 Ų1652.5 Ų52.511%0.11226%0.263CS..SBendtrans-87.4141.2-179.2179.10000112.4R212 Q217 R218R212-S215 PolarHBondContact O-N 3.36Å; S215-Q217 PolarHBondContact O-N 2.86Å; S215-Q217 VanDerWaalsContact O-N 3.14Å; S215-Q217 WeakPolarHBondContact OG-CB 3.43Å; S215-Q217 WeakPolarHBondContact OG-CG 3.47Å; S215-Q217 PolarHBondContact OG-N 3.22Å; S215-Q217 VanDerWaalsContact OG-N 3.1Å; S215-R218 VanDerWaalsContact O-CB 3.26Å; S215-R218 WeakPolarHBondContact O-CB 3.38Å; S215-R218 PolarHBondContact O-N 3.44Å
216D90.4Very high90.7Very high70 Ų7047 Ų4737%0.37423%0.232SC..G310 helixtrans-55.8-27.7168.8-83.2-6.5000112.2R218 F219 C220 R238 W243D216-R218 PolarHBondContact O-N 2.78Å; D216-R218 VanDerWaalsContact O-N 3.09Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-F219 VanDerWaalsContact O-N 3.12Å; D216-C220 VanDerWaalsContact O-CB 3.26Å; D216-C220 WeakPolarHBondContact O-CB 3.13Å; D216-C220 PolarHBondContact O-N 3.5Å; D216-R238 IonicContact OD2-CZ 2.69Å; D216-R238 VanDerWaalsContact OD2-CZ 3.26Å; D216-R238 IonicContact OD2-NE 3.76Å; D216-R238 PolarHBondContact OD2-NE 2.78Å; D216-R238 IonicContact OD2-NH2 2.73Å; D216-R238 PolarHBondContact OD2-NH2 2.91Å; D216-W243 HydrophobicContact CB-CH2 4.24Å; D216-W243 HydrophobicContact CB-CZ2 3.8Å
217Q92.5Very high91.1Very high1 Ų145.6 Ų45.61%0.00522%0.223CC..G310 helixtrans-61.2-17.8178-65.5177.6-4500113A211 S215 F219 W243 L259 L260A211-Q217 HydrophobicContact CB-CB 4.16Å; S215-Q217 PolarHBondContact O-N 2.86Å; S215-Q217 VanDerWaalsContact O-N 3.14Å; S215-Q217 WeakPolarHBondContact OG-CB 3.43Å; S215-Q217 WeakPolarHBondContact OG-CG 3.47Å; S215-Q217 PolarHBondContact OG-N 3.22Å; S215-Q217 VanDerWaalsContact OG-N 3.1Å; Q217-F219 VanDerWaalsContact C-N 3.28Å; Q217-F219 PolarHBondContact O-N 2.88Å; Q217-W243 HydrophobicContact CG-CH2 4.25Å; Q217-W243 HydrophobicContact CG-CZ2 3.57Å; Q217-L259 HydrophobicContact CB-CD2 4.38Å; Q217-L260 PolarHBondContact NE2-O 3.07Å; Q217-L260 PolarHBondContact OE1-O 2.9Å
218R89.5Confident90.7Very high99 Ų9945.3 Ų45.337%0.37422%0.219SC..G310 helixtrans-63.4-34.5175-169.7170.8-173.5177.42.8112.7V207 A208 A211 P213 S215 D216V207-R218 VanDerWaalsContact CA-O 3.25Å; V207-R218 WeakPolarHBondContact CA-O 3.26Å; A208-R218 PolarHBondContact N-O 3.01Å; A208-R218 VanDerWaalsContact N-O 3.07Å; A211-R218 HydrophobicContact CB-CB 3.97Å; P213-R218 PolarHBondContact O-NH1 3.45Å; S215-R218 VanDerWaalsContact O-CB 3.26Å; S215-R218 WeakPolarHBondContact O-CB 3.38Å; S215-R218 PolarHBondContact O-N 3.44Å; D216-R218 PolarHBondContact O-N 2.78Å; D216-R218 VanDerWaalsContact O-N 3.09Å
219F88.1Confident89.6Confident109 Ų10951.6 Ų51.648%0.47825%0.251SS..THydrogen-bonded Turntrans-119.2-19.5-176.7-54.7-73.2000113.2V207 D216 Q217 T221V207-F219 HydrophobicContact CG1-CD1 3.84Å; V207-F219 HydrophobicContact CG1-CE1 3.76Å; D216-F219 PolarHBondContact O-N 3.48Å; D216-F219 VanDerWaalsContact O-N 3.12Å; Q217-F219 VanDerWaalsContact C-N 3.28Å; Q217-F219 PolarHBondContact O-N 2.88Å; F219-T221 PolarHBondContact O-N 2.9Å
220C88.9Confident88.2Confident13 Ų1349.3 Ų49.39%0.08825%0.252CS..  trans-96.579.5172.7-590000108.5D216 K241 W243D216-C220 VanDerWaalsContact O-CB 3.26Å; D216-C220 WeakPolarHBondContact O-CB 3.13Å; D216-C220 PolarHBondContact O-N 3.5Å; C220-K241 CarbonylContact C-O 3.58Å; C220-K241 HydrophobicContact CB-CB 4.45Å; C220-W243 HydrophobicContact CB-CZ2 4.43Å; C220-W243 VanDerWaalsContact CB-NE1 3.32Å; C220-W243 PolarHBondContact O-NE1 2.85Å
221T92.1Very high86.9Confident1 Ų154.6 Ų54.61%0.00628%0.282CS..  trans-99.313.9-168.469.10000114.4G161 C162 Y163 T206 A208 F219 Y223G161-T221 WeakPolarHBondContact O-CB 3.37Å; G161-T221 PolarHBondContact O-OG1 3.26Å; C162-T221 CarbonylContact C-O 3.57Å; C162-T221 WeakPolarHBondContact CA-O 3.33Å; Y163-T221 PolarHBondContact N-O 3.24Å; T206-T221 WeakPolarHBondContact O-CG2 3.36Å; T206-T221 PolarHBondContact OG1-OG1 3.05Å; T206-T221 VanDerWaalsContact OG1-OG1 3.13Å; A208-T221 HydrophobicContact CB-CG2 3.84Å; F219-T221 PolarHBondContact O-N 2.9Å; T221-Y223 WeakPolarHBondContact O-CD2 3.38Å; T221-Y223 WeakPolarHBondContact O-CE2 3.12Å
222Q93.3Very high86Confident2 Ų257.8 Ų57.81%0.00929%0.292CS..EExtended strand (participates in β ladder)trans-103.5131.2-179.8-67.4168.162.800111Y163 T201 I204 K241 V242 W243Y163-Q222 HydrophobicContact CD2-CG 4.37Å; Y163-Q222 HydrophobicContact CG-CG 4.43Å; Y163-Q222 CarbonylContact O-C 3.53Å; Y163-Q222 WeakPolarHBondContact O-CA 3.39Å; T201-Q222 VanDerWaalsContact CG2-OE1 3.22Å; T201-Q222 PolarHBondContact O-NE2 3.47Å; T201-Q222 VanDerWaalsContact O-NE2 3.11Å; I204-Q222 HydrophobicContact CD1-CG 4.41Å; Q222-K241 PolarHBondContact N-O 2.84Å; Q222-V242 HydrophobicContact CB-CG2 4.16Å; Q222-V242 CarbonylContact O-C 3.4Å; Q222-V242 WeakPolarHBondContact O-CA 3.38Å; Q222-W243 PolarHBondContact O-N 3.44Å
223Y95.3Very high85.3Confident0 Ų059.7 Ų59.70%031%0.306CS..EExtended strand (participates in β ladder)trans-128.1125.6-174.4-58.5-91.2000111C162 Y163 F164 Y165 T221 W243 W249 L262C162-Y223 HydrophobicContact CB-CD2 4.41Å; C162-Y223 HydrophobicContact CB-CE2 4.05Å; Y163-Y223 PolarHBondContact O-N 3.02Å; F164-Y223 CarbonylContact C-O 3.56Å; F164-Y223 WeakPolarHBondContact CA-O 3.19Å; F164-Y223 HydrophobicContact CD1-CD2 4.34Å; F164-Y223 HydrophobicContact CD1-CG 4.33Å; F164-Y223 AromaticContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CD2 3.89Å; F164-Y223 HydrophobicContact CE1-CG 4.03Å; F164-Y223 HydrophobicContact CZ-CD2 4.1Å; Y165-Y223 PolarHBondContact N-O 2.94Å; T221-Y223 WeakPolarHBondContact O-CD2 3.38Å; T221-Y223 WeakPolarHBondContact O-CE2 3.12Å; Y223-W243 HydrophobicContact CD1-CB 3.69Å; Y223-W243 HydrophobicContact CD1-CG 4.07Å; Y223-W243 HydrophobicContact CE1-CB 4.05Å; Y223-W243 AromaticContact CE1-CD1 3.69Å; Y223-W243 AromaticContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CG-CB 4.49Å; Y223-W249 AromaticContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CH2 3.44Å; Y223-W249 VanDerWaalsContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CZ2 4.16Å; Y223-W249 AromaticContact CD1-CZ3 3.89Å; Y223-W249 HydrophobicContact CD1-CZ3 3.89Å; Y223-W249 AromaticContact CE1-CH2 3.43Å; Y223-W249 HydrophobicContact CE1-CH2 3.43Å; Y223-W249 VanDerWaalsContact CE1-CH2 3.43Å; Y223-W249 AromaticContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ3 4.32Å; Y223-W249 HydrophobicContact CG-CH2 4.08Å; Y223-W249 HydrophobicContact CG-CZ3 4.34Å; Y223-L262 HydrophobicContact CD1-CD1 4.02Å; Y223-L262 HydrophobicContact CE1-CD1 3.85Å
224I95.3Very high85.1Confident8 Ų855.9 Ų55.94%0.04128%0.281CS..EExtended strand (participates in β ladder)trans-93.8110.3166.3-63.5174000106.9Y165 W167 K193 P194 V242 W243 K244 A245Y165-I224 HydrophobicContact CD1-CG1 4.23Å; Y165-I224 HydrophobicContact CD1-CG2 4.13Å; Y165-I224 CarbonylContact O-C 3.5Å; Y165-I224 WeakPolarHBondContact O-CA 3.48Å; W167-I224 HydrophobicContact CB-CG2 3.72Å; W167-I224 HydrophobicContact CG-CG2 4.33Å; K193-I224 HydrophobicContact CG-CD1 4.2Å; P194-I224 HydrophobicContact CG-CD1 4.16Å; P194-I224 HydrophobicContact CG-CG1 3.93Å; I224-V242 HydrophobicContact CD1-CG1 3.67Å; I224-V242 HydrophobicContact CG1-CG1 3.79Å; I224-W243 PolarHBondContact N-O 2.91Å; I224-K244 HydrophobicContact CB-CG 4.33Å; I224-K244 WeakPolarHBondContact O-CA 3.4Å; I224-A245 PolarHBondContact O-N 2.77Å
225I95.6Very high84.6Confident1 Ų158.6 Ų58.61%0.00529%0.289CS..EExtended strand (participates in β ladder)trans-92.4131.1179.4-51.7-56000109.5F164 Y165 L166 W167 F170 A245 W249 F250F164-I225 HydrophobicContact CD1-CD1 4.02Å; F164-I225 HydrophobicContact CD1-CG1 3.89Å; F164-I225 HydrophobicContact CE1-CD1 4.42Å; Y165-I225 PolarHBondContact O-N 3.39Å; L166-I225 HydrophobicContact CD2-CB 3.77Å; L166-I225 HydrophobicContact CD2-CG1 4.05Å; L166-I225 HydrophobicContact CD2-CG2 4.25Å; W167-I225 PolarHBondContact N-O 3.06Å; F170-I225 HydrophobicContact CE1-CG2 4.25Å; F170-I225 HydrophobicContact CZ-CG2 4.44Å; I225-A245 VanDerWaalsContact CA-O 3.29Å; I225-A245 WeakPolarHBondContact CA-O 3.32Å; I225-A245 HydrophobicContact CD1-CB 4.03Å; I225-W249 HydrophobicContact CD1-CE3 4.11Å; I225-W249 HydrophobicContact CD1-CZ3 3.84Å; I225-F250 HydrophobicContact CD1-CB 4.5Å
226Y92.5Very high84.3Confident25 Ų2566.1 Ų66.110%0.09832%0.315CS..EExtended strand (participates in β ladder)trans-129.8159.2175.963.7-92.6000111Y232 P234 K244 A245 P246 S247Y226-Y232 HydrophobicContact CD1-CD1 4.25Å; Y226-Y232 HydrophobicContact CD1-CE1 4.3Å; Y226-Y232 AromaticContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CE1-CD1 4.34Å; Y226-Y232 HydrophobicContact CE1-CE1 4.38Å; Y226-Y232 AromaticContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CG-CD1 4.01Å; Y226-Y232 HydrophobicContact CG-CE1 4.45Å; Y226-P234 HydrophobicContact CE1-CG 4.34Å; Y226-P234 WeakPolarHBondContact OH-CD 3.39Å; Y226-K244 HydrophobicContact CE1-CB 4.15Å; Y226-A245 WeakPolarHBondContact CD1-O 3.28Å; Y226-A245 WeakPolarHBondContact CE1-O 3.46Å; Y226-A245 PolarHBondContact N-O 2.92Å; Y226-A245 VanDerWaalsContact N-O 3.12Å; Y226-P246 HydrophobicContact CE2-CB 4.07Å; Y226-P246 CarbonylContact O-C 3.55Å; Y226-P246 WeakPolarHBondContact O-CA 3.43Å; Y226-S247 PolarHBondContact O-N 2.81Å
227E88.9Confident84.2Confident10 Ų1065.7 Ų65.75%0.04732%0.315CS..  trans-82.7134.7179.1-173.8161.7-107.100112F170 K171 H172 H173 L229F170-E227 HydrophobicContact CD1-CB 4.2Å; F170-E227 HydrophobicContact CE1-CB 4.47Å; K171-E227 PolarHBondContact N-OE1 3.13Å; K171-E227 PolarHBondContact N-OE2 3.31Å; H172-E227 PolarHBondContact N-OE1 2.83Å; H173-E227 PolarHBondContact N-OE1 3.14Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.82Å
228D78.9Confident84Confident70 Ų7069.9 Ų69.937%0.37433%0.331SS..G310 helixtrans-60.3-32.1-173.6-68.8-86.8000114.5C230 P246 S247 S248D228-C230 PolarHBondContact O-N 2.84Å; D228-P246 WeakPolarHBondContact OD1-CB 3.37Å; D228-S247 PolarHBondContact OD2-OG 2.94Å; D228-S248 PolarHBondContact OD1-OG 2.73Å; D228-S248 WeakPolarHBondContact OD2-CB 3.38Å; D228-S248 PolarHBondContact OD2-N 3.12Å; D228-S248 PolarHBondContact OD2-OG 3.27Å; D228-S248 VanDerWaalsContact OD2-OG 3.09Å
229L68.8Low83.9Confident133 Ų13370 Ų7070%0.69634%0.336SS*.G310 helixtrans-80.53.6-170.1-68.7162.9000113.8H172 E227 N231H172-L229 HydrophobicContact CB-CD1 4.23Å; E227-L229 VanDerWaalsContact C-N 3.29Å; E227-L229 PolarHBondContact O-N 2.82Å; L229-N231 VanDerWaalsContact C-N 3.34Å; L229-N231 PolarHBondContact O-N 2.79Å
230C61.8Low83.8Confident71 Ų7166.6 Ų66.648%0.4833%0.331SS..G310 helixtrans-8710-173.7-61.50000114.9D228 Y232D228-C230 PolarHBondContact O-N 2.84Å; C230-Y232 PolarHBondContact O-N 2.77Å
231N66.1Low83.6Confident149 Ų14968.7 Ų68.780%0.79734%0.339SS*.  trans51.318-169.6-73.1-20.1000113.7L229 H233L229-N231 VanDerWaalsContact C-N 3.34Å; L229-N231 PolarHBondContact O-N 2.79Å; N231-H233 PolarHBondContact O-N 3.22Å; N231-H233 PolarHBondContact O-ND1 3.21Å
232Y74.3Confident83.6Confident75 Ų7569 Ų6929%0.29434%0.341SS..  trans-87.3112.5-177.5-179.3-102.4000109.6W167 Y226 C230 P234 K244W167-Y232 HydrophobicContact CH2-CD2 4.24Å; W167-Y232 AromaticContact CH2-CE2 3.97Å; W167-Y232 HydrophobicContact CH2-CE2 3.97Å; W167-Y232 AromaticContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD1 3.97Å; W167-Y232 HydrophobicContact CZ3-CD2 4.18Å; W167-Y232 AromaticContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE1 3.83Å; W167-Y232 HydrophobicContact CZ3-CE2 4.05Å; W167-Y232 HydrophobicContact CZ3-CG 4.15Å; W167-Y232 AromaticContact CZ3-CZ 3.87Å; Y226-Y232 HydrophobicContact CD1-CD1 4.25Å; Y226-Y232 HydrophobicContact CD1-CE1 4.3Å; Y226-Y232 AromaticContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CD2-CD1 3.86Å; Y226-Y232 HydrophobicContact CE1-CD1 4.34Å; Y226-Y232 HydrophobicContact CE1-CE1 4.38Å; Y226-Y232 AromaticContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CE2-CD1 3.97Å; Y226-Y232 HydrophobicContact CG-CD1 4.01Å; Y226-Y232 HydrophobicContact CG-CE1 4.45Å; C230-Y232 PolarHBondContact O-N 2.77Å; Y232-P234 HydrophobicContact CE1-CB 4.08Å; Y232-K244 PolarHBondContact OH-NZ 3.39Å
233H75.5Confident83.6Confident157 Ų15769 Ų6973%0.72734%0.34SS*.  trans-112.7114.6172.3-64.881000107.9N231 E235N231-H233 PolarHBondContact O-N 3.22Å; N231-H233 PolarHBondContact O-ND1 3.21Å; H233-E235 PolarHBondContact O-N 3.13Å
234P80.6Confident83.5Confident23 Ų2371.7 Ų71.715%0.14935%0.352CS..  trans-68.5133.7177.228.4-32.9000109.8Y226 Y232 R236 K244Y226-P234 HydrophobicContact CE1-CG 4.34Å; Y226-P234 WeakPolarHBondContact OH-CD 3.39Å; Y232-P234 HydrophobicContact CE1-CB 4.08Å; P234-R236 PolarHBondContact O-N 2.86Å; P234-R236 VanDerWaalsContact O-N 3.17Å; P234-K244 HydrophobicContact CB-CB 4.18Å; P234-K244 HydrophobicContact CB-CD 3.6Å; P234-K244 HydrophobicContact CG-CB 4.24Å
235E78.3Confident83.5Confident197 Ų19771.3 Ų71.392%0.92135%0.35SS*.SBendtrans-56.9-30.6174.7-66.9175.5-17200112.8H233H233-E235 PolarHBondContact O-N 3.13Å
236R83.6Confident83.4Confident174 Ų17472.3 Ų72.366%0.65736%0.357SS*.  trans-139.1132173.7-66.7-176.3172-168.1-4.6109.9P234 R238P234-R236 PolarHBondContact O-N 2.86Å; P234-R236 VanDerWaalsContact O-N 3.17Å; R236-R238 PolarHBondContact O-N 3.49Å
237V87.7Confident83.5Confident62 Ų6271.2 Ų71.238%0.37635%0.353SS..SBendtrans-69.6-21.9175.3-64.30000112.5W243 K244V237-W243 HydrophobicContact CG2-CE3 4.47Å; V237-W243 HydrophobicContact CG2-CZ3 4.19Å; V237-W243 CarbonylContact O-C 3.59Å; V237-W243 VanDerWaalsContact O-CA 3.28Å; V237-W243 WeakPolarHBondContact O-CA 3.24Å; V237-K244 PolarHBondContact O-N 3.48Å
238R89.2Confident83.7Confident89 Ų8972.4 Ų72.434%0.33636%0.362SS..EExtended strand (participates in β ladder)trans-135.4139.5177.4-169.9171.268.181.2-10.7112.6D216 R236 G240 V242 W243D216-R238 IonicContact OD2-CZ 2.69Å; D216-R238 VanDerWaalsContact OD2-CZ 3.26Å; D216-R238 IonicContact OD2-NE 3.76Å; D216-R238 PolarHBondContact OD2-NE 2.78Å; D216-R238 IonicContact OD2-NH2 2.73Å; D216-R238 PolarHBondContact OD2-NH2 2.91Å; R236-R238 PolarHBondContact O-N 3.49Å; R238-G240 WeakPolarHBondContact CG-O 3.44Å; R238-G240 PolarHBondContact NH1-O 2.76Å; R238-V242 WeakPolarHBondContact CA-O 3.29Å; R238-W243 HydrophobicContact CB-CD2 4.14Å; R238-W243 HydrophobicContact CB-CE3 3.71Å; R238-W243 HydrophobicContact CB-CH2 4.32Å; R238-W243 HydrophobicContact CB-CZ3 3.81Å; R238-W243 VanDerWaalsContact CD-CZ2 3.46Å; R238-W243 HydrophobicContact CG-CD2 4.11Å; R238-W243 HydrophobicContact CG-CE3 4.19Å; R238-W243 HydrophobicContact CG-CH2 4.49Å; R238-W243 HydrophobicContact CG-CZ2 4.43Å; R238-W243 HydrophobicContact CG-CZ3 4.38Å
239Q87.3Confident84.4Confident102 Ų10269.9 Ų69.948%0.47735%0.347SS..EExtended strand (participates in β ladder)trans-136.1114.9166.5-173.866.739.600108.9P196 K241 V242P196-Q239 HydrophobicContact CB-CB 4.42Å; P196-Q239 HydrophobicContact CB-CG 3.9Å; P196-Q239 WeakPolarHBondContact CB-O 3.33Å; P196-Q239 HydrophobicContact CG-CG 3.79Å; Q239-K241 PolarHBondContact O-N 2.8Å; Q239-V242 PolarHBondContact N-O 2.73Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-V242 VanDerWaalsContact O-N 3.11Å
240G85.7Confident85.7Confident36 Ų3663.7 Ų63.737%0.37132%0.315SS..THydrogen-bonded Turntrans60-130.2-172.800000111.2R238 V242R238-G240 WeakPolarHBondContact CG-O 3.44Å; R238-G240 PolarHBondContact NH1-O 2.76Å; G240-V242 VanDerWaalsContact C-N 3.3Å
241K85.4Confident87.3Confident58 Ų5862.1 Ų62.125%0.25230%0.302SS..THydrogen-bonded Turntrans-85.64.8176.3-69.9-176.3172.5179.90114.4Q202 I204 C220 Q222 Q239Q202-K241 PolarHBondContact O-NZ 2.98Å; I204-K241 PolarHBondContact O-NZ 3.09Å; C220-K241 CarbonylContact C-O 3.58Å; C220-K241 HydrophobicContact CB-CB 4.45Å; Q222-K241 PolarHBondContact N-O 2.84Å; Q239-K241 PolarHBondContact O-N 2.8Å
242V91.5Very high88.7Confident8 Ų858.9 Ų58.95%0.04828%0.284CS..EExtended strand (participates in β ladder)trans-111123.7-171.1-1730000111P194 Q222 I224 R238 Q239 G240P194-V242 HydrophobicContact CB-CG1 4.46Å; P194-V242 HydrophobicContact CB-CG2 4.06Å; P194-V242 HydrophobicContact CG-CG1 3.83Å; P194-V242 HydrophobicContact CG-CG2 4.33Å; Q222-V242 HydrophobicContact CB-CG2 4.16Å; Q222-V242 CarbonylContact O-C 3.4Å; Q222-V242 WeakPolarHBondContact O-CA 3.38Å; I224-V242 HydrophobicContact CD1-CG1 3.67Å; I224-V242 HydrophobicContact CG1-CG1 3.79Å; R238-V242 WeakPolarHBondContact CA-O 3.29Å; Q239-V242 PolarHBondContact N-O 2.73Å; Q239-V242 PolarHBondContact O-N 3.33Å; Q239-V242 VanDerWaalsContact O-N 3.11Å; G240-V242 VanDerWaalsContact C-N 3.3Å
243W93.6Very high89.7Confident1 Ų155.3 Ų55.30%0.00427%0.27CS..EExtended strand (participates in β ladder)trans-93.4152.7172.9-61.493000111.7D216 Q217 C220 Q222 Y223 I224 V237 R238 L262 D263D216-W243 HydrophobicContact CB-CH2 4.24Å; D216-W243 HydrophobicContact CB-CZ2 3.8Å; Q217-W243 HydrophobicContact CG-CH2 4.25Å; Q217-W243 HydrophobicContact CG-CZ2 3.57Å; C220-W243 HydrophobicContact CB-CZ2 4.43Å; C220-W243 VanDerWaalsContact CB-NE1 3.32Å; C220-W243 PolarHBondContact O-NE1 2.85Å; Q222-W243 PolarHBondContact O-N 3.44Å; Y223-W243 HydrophobicContact CD1-CB 3.69Å; Y223-W243 HydrophobicContact CD1-CG 4.07Å; Y223-W243 HydrophobicContact CE1-CB 4.05Å; Y223-W243 AromaticContact CE1-CD1 3.69Å; Y223-W243 AromaticContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CE1-CG 3.92Å; Y223-W243 HydrophobicContact CG-CB 4.49Å; I224-W243 PolarHBondContact N-O 2.91Å; V237-W243 HydrophobicContact CG2-CE3 4.47Å; V237-W243 HydrophobicContact CG2-CZ3 4.19Å; V237-W243 CarbonylContact O-C 3.59Å; V237-W243 VanDerWaalsContact O-CA 3.28Å; V237-W243 WeakPolarHBondContact O-CA 3.24Å; R238-W243 HydrophobicContact CB-CD2 4.14Å; R238-W243 HydrophobicContact CB-CE3 3.71Å; R238-W243 HydrophobicContact CB-CH2 4.32Å; R238-W243 HydrophobicContact CB-CZ3 3.81Å; R238-W243 VanDerWaalsContact CD-CZ2 3.46Å; R238-W243 HydrophobicContact CG-CD2 4.11Å; R238-W243 HydrophobicContact CG-CE3 4.19Å; R238-W243 HydrophobicContact CG-CH2 4.49Å; R238-W243 HydrophobicContact CG-CZ2 4.43Å; R238-W243 HydrophobicContact CG-CZ3 4.38Å; W243-L262 HydrophobicContact CB-CD1 3.89Å; W243-L262 HydrophobicContact CD2-CB 4.49Å; W243-L262 HydrophobicContact CD2-CD1 4.01Å; W243-L262 HydrophobicContact CE3-CB 3.68Å; W243-L262 HydrophobicContact CE3-CD1 3.88Å; W243-L262 HydrophobicContact CE3-CG 4.46Å; W243-L262 HydrophobicContact CG-CD1 4.03Å; W243-L262 HydrophobicContact CZ3-CB 3.75Å; W243-D263 HydrophobicContact CH2-CB 3.93Å; W243-D263 HydrophobicContact CZ3-CB 4.02Å
244K93.5Very high90.7Very high56 Ų5650 Ų5024%0.24325%0.249CC..EExtended strand (participates in β ladder)trans-113.7117.4163.9-65.7178.2-175.7176.60107.2I224 Y226 Y232 P234 V237I224-K244 HydrophobicContact CB-CG 4.33Å; I224-K244 WeakPolarHBondContact O-CA 3.4Å; Y226-K244 HydrophobicContact CE1-CB 4.15Å; Y232-K244 PolarHBondContact OH-NZ 3.39Å; P234-K244 HydrophobicContact CB-CB 4.18Å; P234-K244 HydrophobicContact CB-CD 3.6Å; P234-K244 HydrophobicContact CG-CB 4.24Å; V237-K244 PolarHBondContact O-N 3.48Å
245A94.4Very high91.3Very high0 Ų055.1 Ų55.10%027%0.272CS..EExtended strand (participates in β ladder)trans-129.4143.9-177.600000110.5I224 I225 Y226 W249 L262I224-A245 PolarHBondContact O-N 2.77Å; I225-A245 VanDerWaalsContact CA-O 3.29Å; I225-A245 WeakPolarHBondContact CA-O 3.32Å; I225-A245 HydrophobicContact CD1-CB 4.03Å; Y226-A245 WeakPolarHBondContact CD1-O 3.28Å; Y226-A245 WeakPolarHBondContact CE1-O 3.46Å; Y226-A245 PolarHBondContact N-O 2.92Å; Y226-A245 VanDerWaalsContact N-O 3.12Å; A245-W249 HydrophobicContact CB-CD2 3.79Å; A245-W249 HydrophobicContact CB-CE3 3.41Å; A245-W249 VanDerWaalsContact CB-CE3 3.41Å; A245-W249 HydrophobicContact CB-CG 4.29Å; A245-W249 HydrophobicContact CB-CZ3 3.91Å; A245-L262 HydrophobicContact CB-CD1 3.79Å; A245-L262 HydrophobicContact CB-CD2 3.78Å; A245-L262 HydrophobicContact CB-CG 4.46Å
246P93.8Very high92.1Very high23 Ų2347.6 Ų47.615%0.14924%0.241CC..EExtended strand (participates in β ladder)trans-69.9162172.826.1-30.5000112.4Y226 D228 S248 W249 F250Y226-P246 HydrophobicContact CE2-CB 4.07Å; Y226-P246 CarbonylContact O-C 3.55Å; Y226-P246 WeakPolarHBondContact O-CA 3.43Å; D228-P246 WeakPolarHBondContact OD1-CB 3.37Å; P246-S248 VanDerWaalsContact C-N 3.28Å; P246-S248 WeakPolarHBondContact CB-OG 3.42Å; P246-S248 WeakPolarHBondContact CG-OG 3.22Å; P246-S248 PolarHBondContact O-N 3.11Å; P246-W249 HydrophobicContact CG-CB 3.89Å; P246-W249 PolarHBondContact O-N 3.43Å; P246-F250 PolarHBondContact O-N 3.42Å
247S94Very high92.7Very high1 Ų140.5 Ų40.51%0.00722%0.215CC..Hα-helixtrans-63.9-33.4174.564.60000112.5H173 Y226 D228 F250 I251H173-S247 WeakPolarHBondContact ND1-CB 3.48Å; H173-S247 PolarHBondContact ND1-OG 3.2Å; Y226-S247 PolarHBondContact O-N 2.81Å; D228-S247 PolarHBondContact OD2-OG 2.94Å; S247-F250 PolarHBondContact O-N 3.2Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.47Å; S247-I251 VanDerWaalsContact O-N 3.09Å
248S92.9Very high93.1Very high36 Ų3640 Ų4025%0.25221%0.209SC..Hα-helixtrans-55.7-52173.254.50000111.8D228 P246 F250 I251 D252D228-S248 PolarHBondContact OD1-OG 2.73Å; D228-S248 WeakPolarHBondContact OD2-CB 3.38Å; D228-S248 PolarHBondContact OD2-N 3.12Å; D228-S248 PolarHBondContact OD2-OG 3.27Å; D228-S248 VanDerWaalsContact OD2-OG 3.09Å; P246-S248 VanDerWaalsContact C-N 3.28Å; P246-S248 WeakPolarHBondContact CB-OG 3.42Å; P246-S248 WeakPolarHBondContact CG-OG 3.22Å; P246-S248 PolarHBondContact O-N 3.11Å; S248-F250 VanDerWaalsContact C-N 3.26Å; S248-F250 PolarHBondContact O-N 3.17Å; S248-I251 CarbonylContact O-C 3.56Å; S248-I251 WeakPolarHBondContact O-CA 3.42Å; S248-I251 WeakPolarHBondContact O-CB 3.37Å; S248-I251 PolarHBondContact O-N 3.35Å; S248-D252 VanDerWaalsContact O-CG 3.27Å; S248-D252 PolarHBondContact O-N 2.71Å
249W95Very high93.4Very high16 Ų1635.8 Ų35.86%0.06119%0.193CC..Hα-helixtrans-52.4-44.2176.1165.787.2000112.3F164 Y223 I225 A245 P246 I251 D252 C253 L259 L260 L262F164-W249 HydrophobicContact CE1-CH2 4.41Å; F164-W249 HydrophobicContact CE1-CZ3 4.18Å; Y223-W249 AromaticContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CH2 3.44Å; Y223-W249 VanDerWaalsContact CD1-CH2 3.44Å; Y223-W249 HydrophobicContact CD1-CZ2 4.16Å; Y223-W249 AromaticContact CD1-CZ3 3.89Å; Y223-W249 HydrophobicContact CD1-CZ3 3.89Å; Y223-W249 AromaticContact CE1-CH2 3.43Å; Y223-W249 HydrophobicContact CE1-CH2 3.43Å; Y223-W249 VanDerWaalsContact CE1-CH2 3.43Å; Y223-W249 AromaticContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ2 3.79Å; Y223-W249 HydrophobicContact CE1-CZ3 4.32Å; Y223-W249 HydrophobicContact CG-CH2 4.08Å; Y223-W249 HydrophobicContact CG-CZ3 4.34Å; I225-W249 HydrophobicContact CD1-CE3 4.11Å; I225-W249 HydrophobicContact CD1-CZ3 3.84Å; A245-W249 HydrophobicContact CB-CD2 3.79Å; A245-W249 HydrophobicContact CB-CE3 3.41Å; A245-W249 VanDerWaalsContact CB-CE3 3.41Å; A245-W249 HydrophobicContact CB-CG 4.29Å; A245-W249 HydrophobicContact CB-CZ3 3.91Å; P246-W249 HydrophobicContact CG-CB 3.89Å; P246-W249 PolarHBondContact O-N 3.43Å; W249-I251 PolarHBondContact O-N 2.96Å; W249-D252 PolarHBondContact O-N 3.2Å; W249-C253 PolarHBondContact O-N 2.88Å; W249-C253 PolarHBondContact O-SG 2.8Å; W249-L259 HydrophobicContact CH2-CD1 4.12Å; W249-L259 HydrophobicContact CZ2-CD1 3.92Å; W249-L260 PolarHBondContact NE1-O 3.11Å; W249-L262 HydrophobicContact CB-CD2 4.45Å; W249-L262 VanDerWaalsContact CD1-CD2 3.46Å; W249-L262 HydrophobicContact CD2-CD1 4.47Å; W249-L262 HydrophobicContact CD2-CD2 3.96Å; W249-L262 HydrophobicContact CD2-CG 4.41Å; W249-L262 HydrophobicContact CG-CD2 3.71Å; W249-L262 HydrophobicContact CZ2-CD1 4.02Å; W249-L262 HydrophobicContact CZ2-CG 4.3Å
250F96.1Very high93.8Very high3 Ų332.8 Ų32.81%0.01318%0.18CC..Hα-helixtrans-63.5-43178.9175.1-92.6000111.6F159 F164 L178 L181 V182 I225 P246 S247 S248 C253 V254F159-F250 HydrophobicContact CD2-CE2 4.05Å; F159-F250 HydrophobicContact CD2-CZ 4.44Å; F159-F250 HydrophobicContact CE1-CE2 4.31Å; F159-F250 HydrophobicContact CE2-CD2 4.22Å; F159-F250 AromaticContact CE2-CE2 3.36Å; F159-F250 HydrophobicContact CE2-CE2 3.36Å; F159-F250 AromaticContact CE2-CZ 3.66Å; F159-F250 HydrophobicContact CE2-CZ 3.66Å; F159-F250 AromaticContact CZ-CD2 3.91Å; F159-F250 HydrophobicContact CZ-CD2 3.91Å; F159-F250 AromaticContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CE2 3.52Å; F159-F250 HydrophobicContact CZ-CZ 4.14Å; F164-F250 HydrophobicContact CD1-CD2 4.18Å; F164-F250 HydrophobicContact CD1-CE2 4.26Å; F164-F250 AromaticContact CE1-CD2 3.75Å; F164-F250 HydrophobicContact CE1-CD2 3.75Å; F164-F250 AromaticContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CE1-CE2 3.89Å; F164-F250 HydrophobicContact CZ-CD2 4.36Å; F164-F250 HydrophobicContact CZ-CE2 4.14Å; L178-F250 HydrophobicContact CD2-CD1 3.79Å; L178-F250 HydrophobicContact CD2-CE1 3.97Å; L181-F250 HydrophobicContact CB-CE1 3.7Å; L181-F250 HydrophobicContact CB-CZ 3.84Å; L181-F250 HydrophobicContact CD1-CE1 3.97Å; V182-F250 HydrophobicContact CB-CZ 4.49Å; V182-F250 HydrophobicContact CG2-CE2 3.61Å; V182-F250 HydrophobicContact CG2-CZ 3.54Å; I225-F250 HydrophobicContact CD1-CB 4.5Å; P246-F250 PolarHBondContact O-N 3.42Å; S247-F250 PolarHBondContact O-N 3.2Å; S248-F250 VanDerWaalsContact C-N 3.26Å; S248-F250 PolarHBondContact O-N 3.17Å; F250-C253 WeakPolarHBondContact O-CB 3.33Å; F250-C253 PolarHBondContact O-N 3.46Å; F250-V254 HydrophobicContact CE1-CG2 4.08Å; F250-V254 HydrophobicContact CZ-CG2 4.18Å; F250-V254 WeakPolarHBondContact O-CG2 3.4Å; F250-V254 PolarHBondContact O-N 3.29Å
251I95.2Very high94.2Very high39 Ų3933 Ų3320%0.217%0.174CC..Hα-helixtrans-64.7-43.8176.4-64.3-60.4000110.6L178 L181 S247 S248 W249 C253 V254 M255L178-I251 HydrophobicContact CD2-CD1 4.17Å; L181-I251 HydrophobicContact CD1-CD1 3.88Å; S247-I251 WeakPolarHBondContact O-CG1 3.21Å; S247-I251 PolarHBondContact O-N 3.47Å; S247-I251 VanDerWaalsContact O-N 3.09Å; S248-I251 CarbonylContact O-C 3.56Å; S248-I251 WeakPolarHBondContact O-CA 3.42Å; S248-I251 WeakPolarHBondContact O-CB 3.37Å; S248-I251 PolarHBondContact O-N 3.35Å; W249-I251 PolarHBondContact O-N 2.96Å; I251-C253 VanDerWaalsContact C-N 3.27Å; I251-C253 PolarHBondContact O-N 3.28Å; I251-V254 WeakPolarHBondContact O-CB 3.5Å; I251-V254 PolarHBondContact O-N 3.29Å; I251-M255 HydrophobicContact CG2-CG 4.02Å; I251-M255 VanDerWaalsContact O-CG 3.28Å; I251-M255 WeakPolarHBondContact O-CG 3.24Å; I251-M255 PolarHBondContact O-N 3.13Å
252D95.1Very high94.4Very high80 Ų8031.5 Ų31.543%0.42817%0.169SC..Hα-helixtrans-62-37179-65.2-24.7000111.7S248 W249 M255 S256 L260S248-D252 VanDerWaalsContact O-CG 3.27Å; S248-D252 PolarHBondContact O-N 2.71Å; W249-D252 PolarHBondContact O-N 3.2Å; D252-M255 PolarHBondContact O-N 3.11Å; D252-S256 VanDerWaalsContact O-CB 3.24Å; D252-S256 WeakPolarHBondContact O-CB 3.41Å; D252-S256 PolarHBondContact O-N 3.41Å; D252-S256 PolarHBondContact O-OG 3.4Å; D252-L260 HydrophobicContact CB-CD1 3.61Å
253C96.2Very high93.6Very high0 Ų034.9 Ų34.90%019%0.187CC..Hα-helixtrans-60.3-46.5171.9-68.70000111.6L158 F159 W249 F250 I251 S256 F257 E258 L260L158-C253 WeakPolarHBondContact CD2-O 3.39Å; F159-C253 HydrophobicContact CE1-CB 4.11Å; F159-C253 HydrophobicContact CZ-CB 4.06Å; W249-C253 PolarHBondContact O-N 2.88Å; W249-C253 PolarHBondContact O-SG 2.8Å; F250-C253 WeakPolarHBondContact O-CB 3.33Å; F250-C253 PolarHBondContact O-N 3.46Å; I251-C253 VanDerWaalsContact C-N 3.27Å; I251-C253 PolarHBondContact O-N 3.28Å; C253-S256 PolarHBondContact O-N 2.87Å; C253-F257 WeakPolarHBondContact O-CA 3.47Å; C253-F257 PolarHBondContact O-N 3.23Å; C253-E258 WeakPolarHBondContact CA-O 3.41Å; C253-E258 WeakPolarHBondContact CB-O 3.42Å; C253-E258 PolarHBondContact O-N 3.46Å; C253-E258 VanDerWaalsContact O-N 3.15Å; C253-E258 PolarHBondContact SG-O 3.33Å; C253-L260 PolarHBondContact SG-N 3.49Å; C253-L260 VanDerWaalsContact SG-N 3.4Å
254V96.3Very high91.6Very high47 Ų4742.5 Ų42.529%0.28524%0.24SC..Hα-helixtrans-64.4-46.6178.3172.60000111.2F159 L181 F250 I251 S256 F257F159-V254 HydrophobicContact CE2-CG2 3.72Å; F159-V254 HydrophobicContact CZ-CG2 3.83Å; L181-V254 HydrophobicContact CD2-CG1 4.36Å; F250-V254 HydrophobicContact CE1-CG2 4.08Å; F250-V254 HydrophobicContact CZ-CG2 4.18Å; F250-V254 WeakPolarHBondContact O-CG2 3.4Å; F250-V254 PolarHBondContact O-N 3.29Å; I251-V254 WeakPolarHBondContact O-CB 3.5Å; I251-V254 PolarHBondContact O-N 3.29Å; V254-S256 VanDerWaalsContact C-N 3.26Å; V254-S256 PolarHBondContact O-N 2.8Å; V254-F257 PolarHBondContact O-N 3.11Å
255M93.6Very high91.5Very high130 Ų13041.8 Ų41.864%0.6424%0.24SC*.Hα-helixtrans-64.2-34-178.4-68.3-57.9-65.500112I251 D252I251-M255 HydrophobicContact CG2-CG 4.02Å; I251-M255 VanDerWaalsContact O-CG 3.28Å; I251-M255 WeakPolarHBondContact O-CG 3.24Å; I251-M255 PolarHBondContact O-N 3.13Å; D252-M255 PolarHBondContact O-N 3.11Å
256S94.1Very high91.3Very high38 Ų3844 Ų4427%0.26625%0.253SS..Hα-helixtrans-89.6-16.2178.8-54.60000113G143 R146 D252 C253 V254 E258G143-S256 VanDerWaalsContact CA-O 3.25Å; G143-S256 WeakPolarHBondContact CA-O 3.25Å; R146-S256 PolarHBondContact NE-O 2.83Å; R146-S256 VanDerWaalsContact NE-O 3.11Å; R146-S256 PolarHBondContact NH2-O 3.38Å; D252-S256 VanDerWaalsContact O-CB 3.24Å; D252-S256 WeakPolarHBondContact O-CB 3.41Å; D252-S256 PolarHBondContact O-N 3.41Å; D252-S256 PolarHBondContact O-OG 3.4Å; C253-S256 PolarHBondContact O-N 2.87Å; V254-S256 VanDerWaalsContact C-N 3.26Å; V254-S256 PolarHBondContact O-N 2.8Å; S256-E258 VanDerWaalsContact C-N 3.27Å; S256-E258 PolarHBondContact O-N 2.87Å
257F96.7Very high91.2Very high26 Ų2645.2 Ų45.211%0.11426%0.259CS..THydrogen-bonded Turntrans50.649.5-165.4-162-98.7000111.9G143 R146 S147 N150 L158 H210 C253 V254G143-F257 WeakPolarHBondContact O-CB 3.44Å; R146-F257 HydrophobicContact CB-CB 4.34Å; R146-F257 HydrophobicContact CB-CD1 3.97Å; S147-F257 WeakPolarHBondContact OG-CD2 3.42Å; S147-F257 VanDerWaalsContact OG-CE2 3.28Å; S147-F257 WeakPolarHBondContact OG-CE2 3.29Å; N150-F257 HydrophobicContact CB-CE1 3.6Å; N150-F257 HydrophobicContact CB-CZ 3.88Å; L158-F257 HydrophobicContact CB-CD2 4.19Å; L158-F257 HydrophobicContact CB-CE2 3.88Å; L158-F257 HydrophobicContact CB-CZ 4.39Å; L158-F257 HydrophobicContact CD1-CD2 4.48Å; L158-F257 HydrophobicContact CD2-CD2 4.31Å; H210-F257 AromaticContact CE1-CE1 3.78Å; C253-F257 WeakPolarHBondContact O-CA 3.47Å; C253-F257 PolarHBondContact O-N 3.23Å; V254-F257 PolarHBondContact O-N 3.11Å
258E95.9Very high91Very high51 Ų5147.8 Ų47.824%0.23827%0.273CS..SBendtrans-144.2140.4178.7-172.9170.2165.400109.5R146 R212 C253 S256 L260R146-E258 IonicContact CZ-OE2 2.61Å; R146-E258 IonicContact NH1-OE2 3.41Å; R146-E258 PolarHBondContact NH1-OE2 3.11Å; R146-E258 IonicContact NH2-OE2 3.25Å; R212-E258 IonicContact NH2-OE1 3.24Å; R212-E258 PolarHBondContact NH2-OE1 3.21Å; C253-E258 WeakPolarHBondContact CA-O 3.41Å; C253-E258 WeakPolarHBondContact CB-O 3.42Å; C253-E258 PolarHBondContact O-N 3.46Å; C253-E258 VanDerWaalsContact O-N 3.15Å; C253-E258 PolarHBondContact SG-O 3.33Å; S256-E258 VanDerWaalsContact C-N 3.27Å; S256-E258 PolarHBondContact O-N 2.87Å; E258-L260 HydrophobicContact CB-CD2 4.25Å; E258-L260 HydrophobicContact CG-CD2 4.17Å; E258-L260 PolarHBondContact O-N 2.95Å
259L96Very high90.9Very high1 Ų148.5 Ų48.51%0.00528%0.275CS..  trans-83.195.6170.8-170.666.6000108.4F159 A208 H210 A211 Q217 W249F159-L259 HydrophobicContact CD1-CD1 4.28Å; F159-L259 HydrophobicContact CE1-CD1 4.19Å; A208-L259 HydrophobicContact CB-CD2 3.96Å; H210-L259 HydrophobicContact CB-CB 4.23Å; A211-L259 HydrophobicContact CB-CD2 3.85Å; Q217-L259 HydrophobicContact CB-CD2 4.38Å; W249-L259 HydrophobicContact CH2-CD1 4.12Å; W249-L259 HydrophobicContact CZ2-CD1 3.92Å
260L95.8Very high90.6Very high39 Ų3950.7 Ų50.720%0.20429%0.289CS..  trans-69.8141.4-173.5-61.4173000111.5Q217 W249 D252 C253 E258Q217-L260 PolarHBondContact NE2-O 3.07Å; Q217-L260 PolarHBondContact OE1-O 2.9Å; W249-L260 PolarHBondContact NE1-O 3.11Å; D252-L260 HydrophobicContact CB-CD1 3.61Å; C253-L260 PolarHBondContact SG-N 3.49Å; C253-L260 VanDerWaalsContact SG-N 3.4Å; E258-L260 HydrophobicContact CB-CD2 4.25Å; E258-L260 HydrophobicContact CG-CD2 4.17Å; E258-L260 PolarHBondContact O-N 2.95Å
261P93.6Very high90.2Very high39 Ų3954.1 Ų54.125%0.25331%0.309SS..  trans-64151.5176.828.1-34.5000111.7
262L89.1Confident89.8Confident28 Ų2855.2 Ų55.215%0.14732%0.317CS..SBendtrans-117.1-8.7179-77.1169.2000112.8Y223 W243 A245 W249Y223-L262 HydrophobicContact CD1-CD1 4.02Å; Y223-L262 HydrophobicContact CE1-CD1 3.85Å; W243-L262 HydrophobicContact CB-CD1 3.89Å; W243-L262 HydrophobicContact CD2-CB 4.49Å; W243-L262 HydrophobicContact CD2-CD1 4.01Å; W243-L262 HydrophobicContact CE3-CB 3.68Å; W243-L262 HydrophobicContact CE3-CD1 3.88Å; W243-L262 HydrophobicContact CE3-CG 4.46Å; W243-L262 HydrophobicContact CG-CD1 4.03Å; W243-L262 HydrophobicContact CZ3-CB 3.75Å; A245-L262 HydrophobicContact CB-CD1 3.79Å; A245-L262 HydrophobicContact CB-CD2 3.78Å; A245-L262 HydrophobicContact CB-CG 4.46Å; W249-L262 HydrophobicContact CB-CD2 4.45Å; W249-L262 VanDerWaalsContact CD1-CD2 3.46Å; W249-L262 HydrophobicContact CD2-CD1 4.47Å; W249-L262 HydrophobicContact CD2-CD2 3.96Å; W249-L262 HydrophobicContact CD2-CG 4.41Å; W249-L262 HydrophobicContact CG-CD2 3.71Å; W249-L262 HydrophobicContact CZ2-CD1 4.02Å; W249-L262 HydrophobicContact CZ2-CG 4.3Å
263D73.9Confident89.4Confident78 Ų7853.2 Ų53.242%0.41731%0.308SS..  trans-109.511.1-170.847.1-18000113.1W243W243-D263 HydrophobicContact CH2-CB 3.93Å; W243-D263 HydrophobicContact CZ3-CB 4.02Å
264S51.6Low88.8Confident161 Ų16158 Ų58100%1.12634%0.336SS*.  trans-103.50178-52.90000112.7

Retrieved 264 of 264 residues in 1816.7 ms (Link to these results)