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Peptidoglycan recognition protein 3

Pattern receptor that binds to murein peptidoglycans (PGN) of Gram-positive bacteria. Has bactericidal activity towards Gram-positive bacteria. May kill Gram-positive bacteria by interfering with peptidoglycan biosynthesis. Also binds to Gram-negative bacteria, and has bacteriostatic activity towards Gram-negative bacteria. Plays a role in innate immunity.

AlphaFold DB (A0A2K5Z6E4), UniProt , Accession A0A096NWG8, Species PAPAN (Papio anubis, Olive baboon), Gene PGLYRP3, Length 341 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M28.8Very low32.4Very low140 Ų140134.4 Ų134.469%0.6967%0.674SS**  0890-179.1164.4154.400108.5G126 H341M1-G126 WeakPolarHBondContact CE-O 2.95Å; M1-H341 WeakPolarHBondContact CA-OXT 3.26Å; M1-H341 PolarHBondContact N-OXT 2.71Å; M1-H341 VanDerWaalsContact O-OXT 3.05Å
2R24.8Very low32.6Very low216 Ų216137.3 Ų137.382%0.81569%0.691SS**  trans29.6110163.7-74178.7174.8176.7-2.4115.6L4R2-L4 PolarHBondContact O-N 2.91Å; R2-L4 VanDerWaalsContact O-N 3.07Å
3M23.2Very low32.7Very low128 Ų128139.8 Ų139.863%0.63171%0.706SS**  trans-43123.8139.3-83.5-167.5157.700107.4P5M3-P5 VanDerWaalsContact O-CD 3.22Å; M3-P5 WeakPolarHBondContact O-CD 3.44Å
4L29.6Very low32.5Very low75 Ų75134.9 Ų134.939%0.39371%0.708SS.*  trans-51.5113.2173.7-84.7152.5000107.1R2 W6 L134R2-L4 PolarHBondContact O-N 2.91Å; R2-L4 VanDerWaalsContact O-N 3.07Å; L4-W6 PolarHBondContact O-N 2.9Å; L4-L134 HydrophobicContact CD1-CD1 4Å; L4-L134 HydrophobicContact CD1-CD2 4.04Å; L4-L134 HydrophobicContact CD2-CD1 3.93Å
5P30.5Very low32.8Very low83 Ų83138.7 Ų138.754%0.53973%0.728SS.*THydrogen-bonded Turntrans-76.921-164.528.9-32.8000113.4M3M3-P5 VanDerWaalsContact O-CD 3.22Å; M3-P5 WeakPolarHBondContact O-CD 3.44Å
6W38.5Very low33.2Very low179 Ų179139.9 Ų139.968%0.67873%0.729SS**THydrogen-bonded Turntrans-103.3-7.2-164.8-69.711.7000114.8L4 L8 P131L4-W6 PolarHBondContact O-N 2.9Å; W6-L8 VanDerWaalsContact C-N 3.31Å; W6-L8 PolarHBondContact O-N 2.04Å; W6-P131 HydrophobicContact CZ3-CB 4.2Å
7L35.1Very low33.7Very low128 Ų128137.2 Ų137.267%0.6773%0.732SS**SBendtrans-8910.3173.5-80.8159.7000114.1E138L7-E138 HydrophobicContact CD2-CG 4.47Å
8L34.8Very low34.7Very low161 Ų161141.2 Ų141.284%0.84374%0.735SS**  trans-121.461.7177.4-73170.2000111.9W6W6-L8 VanDerWaalsContact C-N 3.31Å; W6-L8 PolarHBondContact O-N 2.04Å
9A35.3Very low36Very low66 Ų66141.4 Ų141.455%0.54574%0.737SS.*  trans-136.6131.714000000106
10F43.8Very low37.5Very low191 Ų191139.6 Ų139.684%0.83873%0.732SS**  173.989.1127.9-84-60.9000108.6
11S32.2Very low39.3Very low111 Ų111134 Ų13478%0.77671%0.705SS**  trans-56.6142.6147.8-57.90000109.4L13S11-L13 PolarHBondContact O-N 3.33Å; S11-L13 VanDerWaalsContact O-N 3.1Å
12I35.1Very low42.2Very low170 Ų170131.3 Ų131.387%0.87270%0.696SS**SBendtrans-42.5108.7171.5-56.9156000109.9
13L33.3Very low45.6Very low169 Ų169123.6 Ų123.689%0.88567%0.673SS**  trans174.7110.9152.3-93.9157.7000109.7S11S11-L13 PolarHBondContact O-N 3.33Å; S11-L13 VanDerWaalsContact O-N 3.1Å
14G30.6Very low49.1Very low72 Ų72117.6 Ų117.674%0.74264%0.643SS**  trans110.9103.5164.200000115.5Q16G14-Q16 VanDerWaalsContact C-N 3.32Å; G14-Q16 PolarHBondContact O-N 3.39Å
15L36.6Very low52.4Low191 Ų191115.6 Ų115.6100%164%0.636SS**  trans-62.989.7162.1-81.6137.5000109.3
16Q40Very low55.6Low159 Ų159113 Ų11374%0.74362%0.615SS**  trans-83.3124.3154.1-94.3177-35.600107.5G14 W18G14-Q16 VanDerWaalsContact C-N 3.32Å; G14-Q16 PolarHBondContact O-N 3.39Å; Q16-W18 PolarHBondContact O-N 2.67Å; Q16-W18 VanDerWaalsContact O-N 3.08Å
17A41Very low58.4Low94 Ų94113.6 Ų113.678%0.77762%0.623SS**  trans-56.9114.6170.300000108.1D19A17-D19 PolarHBondContact O-N 3.43Å
18W51.5Low61.4Low208 Ų208113 Ų11379%0.78862%0.616SS**  trans-69.7113.1171.9-63.1-22.3000107.6Q16 T20Q16-W18 PolarHBondContact O-N 2.67Å; Q16-W18 VanDerWaalsContact O-N 3.08Å; W18-T20 PolarHBondContact O-N 2.78Å
19D59Low64.3Low145 Ų145105.3 Ų105.378%0.77558%0.576SS**PPolyproline II helixtrans-57127.8177.8-80.7-34000109.4A17A17-D19 PolarHBondContact O-N 3.43Å
20T66.3Low67.3Low106 Ų106104 Ų10465%0.6557%0.569SS**PPolyproline II helixtrans-54.4132.6173.316.20000109.6W18 T22 Y143W18-T20 PolarHBondContact O-N 2.78Å; T20-T22 PolarHBondContact O-N 3.29Å; T20-Y143 HydrophobicContact CG2-CD2 4.2Å; T20-Y143 HydrophobicContact CG2-CE2 4.43Å
21P76.4Confident69.9Low23 Ų2396.1 Ų96.115%0.14954%0.539CS..PPolyproline II helixtrans-58.3134.9-178.826.6-36.5000109.6V23 V95 L140 Y143P21-V23 HydrophobicContact CB-CG2 4.24Å; P21-V23 HydrophobicContact CG-CG2 4.14Å; P21-V23 PolarHBondContact O-N 2.93Å; P21-V95 HydrophobicContact CB-CG2 4.23Å; P21-L140 HydrophobicContact CB-CB 4.43Å; P21-L140 HydrophobicContact CG-CD1 4.33Å; P21-Y143 HydrophobicContact CG-CG 4.45Å
22T89.5Confident72.9Confident82 Ų8296 Ų9650%0.50352%0.522SS..  trans-7696.4172.4-59.30000108.4T20 R94 V95T20-T22 PolarHBondContact O-N 3.29Å; T22-R94 VanDerWaalsContact CG2-NH1 3.25Å; T22-V95 PolarHBondContact O-N 2.79Å; T22-V95 VanDerWaalsContact O-N 3.08Å
23V95.3Very high75.8Confident54 Ų5493.7 Ų93.733%0.32752%0.518SS..EExtended strand (participates in β ladder)trans-92118.1179.9-175.50000109.9P21 S25 V95 E97 L140P21-V23 HydrophobicContact CB-CG2 4.24Å; P21-V23 HydrophobicContact CG-CG2 4.14Å; P21-V23 PolarHBondContact O-N 2.93Å; V23-S25 PolarHBondContact O-N 3.41Å; V23-V95 CarbonylContact C-O 3.56Å; V23-V95 VanDerWaalsContact CA-O 3.3Å; V23-V95 WeakPolarHBondContact CA-O 3.47Å; V23-V95 HydrophobicContact CG2-CB 4.21Å; V23-V95 HydrophobicContact CG2-CG1 4.33Å; V23-E97 HydrophobicContact CG1-CB 4.28Å; V23-L140 HydrophobicContact CG2-CD1 4.48Å
24V97.8Very high78.7Confident2 Ų288.7 Ų88.71%0.01249%0.492CS..EExtended strand (participates in β ladder)trans-81.3110168-176.10000107.9E28 W29 Q60 R94 V95 Y96 E97V24-E28 HydrophobicContact CG1-CB 3.63Å; V24-W29 HydrophobicContact CG1-CB 4.02Å; V24-Q60 HydrophobicContact CG2-CG 4.4Å; V24-R94 HydrophobicContact CG2-CB 4.18Å; V24-V95 PolarHBondContact N-O 3.03Å; V24-Y96 HydrophobicContact CB-CD1 3.72Å; V24-Y96 HydrophobicContact CB-CE1 3.88Å; V24-Y96 HydrophobicContact CB-CG 4.4Å; V24-Y96 HydrophobicContact CG1-CD1 3.94Å; V24-Y96 HydrophobicContact CG1-CE1 3.97Å; V24-Y96 HydrophobicContact CG2-CD1 4.14Å; V24-Y96 HydrophobicContact CG2-CE1 3.83Å; V24-E97 PolarHBondContact O-N 3.02Å
25S97.8Very high81.7Confident34 Ų3488.1 Ų88.124%0.23848%0.48CS..  trans-66.6161.9-178.365.80000112.4V23 K27 E28 W29 E97V23-S25 PolarHBondContact O-N 3.41Å; S25-K27 PolarHBondContact O-N 3.17Å; S25-K27 VanDerWaalsContact O-N 3.15Å; S25-E28 VanDerWaalsContact CB-OE2 3.25Å; S25-E28 WeakPolarHBondContact CB-OE2 3.38Å; S25-E28 PolarHBondContact N-OE2 2.88Å; S25-E28 PolarHBondContact O-N 3.49Å; S25-E28 WeakPolarHBondContact OG-CG 3.23Å; S25-E28 PolarHBondContact OG-N 2.87Å; S25-E28 PolarHBondContact OG-OE2 2.9Å; S25-W29 PolarHBondContact O-N 3.03Å; S25-W29 VanDerWaalsContact O-N 3.1Å; S25-E97 WeakPolarHBondContact CA-OE2 3.41Å
26R97.3Very high84.3Confident29 Ų2979.6 Ų79.611%0.10944%0.436CS..Hα-helixtrans-49.7-39.6172.1-71.6-175.768.5881.3113.4W29 G30 A31 R32 Q71 D82 E97 G98R26-W29 HydrophobicContact CG-CZ2 4.37Å; R26-G30 PolarHBondContact O-N 2.81Å; R26-A31 HydrophobicContact CB-CB 3.72Å; R26-A31 HydrophobicContact CG-CB 4.2Å; R26-A31 WeakPolarHBondContact O-CB 3.11Å; R26-A31 PolarHBondContact O-N 2.83Å; R26-R32 PolarHBondContact NH2-O 3.46Å; R26-Q71 VanDerWaalsContact NH2-NE2 3.19Å; R26-D82 IonicContact CZ-OD2 3.37Å; R26-D82 IonicContact NH1-OD1 3.48Å; R26-D82 PolarHBondContact NH1-OD1 3Å; R26-D82 IonicContact NH1-OD2 3.27Å; R26-D82 PolarHBondContact NH1-OD2 3.21Å; R26-D82 IonicContact NH2-OD1 3.7Å; R26-D82 IonicContact NH2-OD2 2.67Å; R26-D82 PolarHBondContact NH2-OD2 3.14Å; R26-E97 HydrophobicContact CG-CB 4.14Å; R26-E97 HydrophobicContact CG-CG 3.92Å; R26-E97 PolarHBondContact N-OE2 3.39Å; R26-G98 WeakPolarHBondContact CD-O 3.34Å; R26-G98 PolarHBondContact NH1-O 2.99Å
27K97.3Very high86.9Confident191 Ų19182.7 Ų82.783%0.8344%0.441SS*.Hα-helixtrans-66.5-41.9177.9-174.4-179.9177.1-175.90111.6S25 G30S25-K27 PolarHBondContact O-N 3.17Å; S25-K27 VanDerWaalsContact O-N 3.15Å; K27-G30 PolarHBondContact O-N 2.91Å
28E97.8Very high89.4Confident114 Ų11480.6 Ų80.653%0.53342%0.423SS..Hα-helixtrans-70.4-39.3-176-72.7167.110700113.1V24 S25 G30V24-E28 HydrophobicContact CG1-CB 3.63Å; S25-E28 VanDerWaalsContact CB-OE2 3.25Å; S25-E28 WeakPolarHBondContact CB-OE2 3.38Å; S25-E28 PolarHBondContact N-OE2 2.88Å; S25-E28 PolarHBondContact O-N 3.49Å; S25-E28 WeakPolarHBondContact OG-CG 3.23Å; S25-E28 PolarHBondContact OG-N 2.87Å; S25-E28 PolarHBondContact OG-OE2 2.9Å; E28-G30 VanDerWaalsContact C-N 3.25Å; E28-G30 PolarHBondContact O-N 3.44Å
29W97.6Very high91.4Very high0 Ų076.5 Ų76.50%042%0.417CS..Hα-helixtrans-81.9-4.7175.468-106.4000113.5V24 S25 R26 A31 N64 L67 R68 Q71 Y96 E97V24-W29 HydrophobicContact CG1-CB 4.02Å; S25-W29 PolarHBondContact O-N 3.03Å; S25-W29 VanDerWaalsContact O-N 3.1Å; R26-W29 HydrophobicContact CG-CZ2 4.37Å; W29-A31 HydrophobicContact CD2-CB 3.94Å; W29-A31 HydrophobicContact CE3-CB 3.96Å; W29-A31 VanDerWaalsContact CH2-CA 3.49Å; W29-A31 HydrophobicContact CH2-CB 3.24Å; W29-A31 HydrophobicContact CZ2-CB 3.21Å; W29-A31 HydrophobicContact CZ3-CB 3.63Å; W29-N64 WeakPolarHBondContact CA-OD1 3.06Å; W29-N64 HydrophobicContact CB-CB 4.19Å; W29-N64 WeakPolarHBondContact CB-OD1 3.41Å; W29-L67 HydrophobicContact CB-CD2 4.46Å; W29-L67 HydrophobicContact CD2-CD2 3.55Å; W29-L67 HydrophobicContact CD2-CG 3.94Å; W29-L67 HydrophobicContact CE3-CB 4.29Å; W29-L67 HydrophobicContact CE3-CD2 3.98Å; W29-L67 HydrophobicContact CE3-CG 3.83Å; W29-L67 HydrophobicContact CG-CD2 3.79Å; W29-L67 HydrophobicContact CH2-CD2 4.4Å; W29-L67 HydrophobicContact CH2-CG 4.04Å; W29-L67 HydrophobicContact CZ2-CD2 4Å; W29-L67 HydrophobicContact CZ2-CG 4.13Å; W29-L67 HydrophobicContact CZ3-CD2 4.38Å; W29-L67 HydrophobicContact CZ3-CG 3.88Å; W29-R68 HydrophobicContact CE3-CG 3.89Å; W29-R68 HydrophobicContact CZ3-CG 3.97Å; W29-R68 PolarHBondContact O-NH1 3.37Å; W29-Q71 HydrophobicContact CH2-CB 4.23Å; W29-Q71 HydrophobicContact CH2-CG 4.39Å; W29-Q71 HydrophobicContact CZ3-CB 4.44Å; W29-Y96 HydrophobicContact CB-CD1 4.3Å; W29-E97 PolarHBondContact NE1-O 3.08Å
30G97.8Very high93.1Very high39 Ų3970.3 Ų70.340%0.40238%0.383SS..THydrogen-bonded Turntrans79.241.5175.900000113.2R26 K27 E28R26-G30 PolarHBondContact O-N 2.81Å; K27-G30 PolarHBondContact O-N 2.91Å; E28-G30 VanDerWaalsContact C-N 3.25Å; E28-G30 PolarHBondContact O-N 3.44Å
31A97.3Very high94.2Very high26 Ų2671 Ų7122%0.21539%0.388CS..PPolyproline II helixtrans-62.8145.6176.500000112.4R26 W29R26-A31 HydrophobicContact CB-CB 3.72Å; R26-A31 HydrophobicContact CG-CB 4.2Å; R26-A31 WeakPolarHBondContact O-CB 3.11Å; R26-A31 PolarHBondContact O-N 2.83Å; W29-A31 HydrophobicContact CD2-CB 3.94Å; W29-A31 HydrophobicContact CE3-CB 3.96Å; W29-A31 VanDerWaalsContact CH2-CA 3.49Å; W29-A31 HydrophobicContact CH2-CB 3.24Å; W29-A31 HydrophobicContact CZ2-CB 3.21Å; W29-A31 HydrophobicContact CZ3-CB 3.63Å
32R96.5Very high95.1Very high108 Ų10872.8 Ų72.841%0.40840%0.395SS..PPolyproline II helixtrans-65.5160.6161.4-65.1172.1179.4-100.73.9110.5R26 L34 Y76R26-R32 PolarHBondContact NH2-O 3.46Å; R32-L34 PolarHBondContact O-N 2.81Å; R32-Y76 PolarHBondContact NH1-OH 3.39Å
33P94.9Very high95.4Very high122 Ų12272.5 Ų72.579%0.79240%0.395SS*.PPolyproline II helixtrans-54.1134.5173.6-26.135.4000111.8A35P33-A35 PolarHBondContact O-N 3.47Å
34L93.9Very high95.2Very high64 Ų6470 Ų7034%0.33538%0.38SS..PPolyproline II helixtrans-68.8119.1-179.8179.261.9000110.2R32 C36 D82 V99 I103R32-L34 PolarHBondContact O-N 2.81Å; L34-C36 HydrophobicContact CD1-CB 3.99Å; L34-D82 HydrophobicContact CD1-CB 3.92Å; L34-D82 VanDerWaalsContact CD1-OD2 3.24Å; L34-D82 WeakPolarHBondContact CD1-OD2 3.24Å; L34-V99 HydrophobicContact CD1-CB 4.24Å; L34-V99 HydrophobicContact CD1-CG1 3.94Å; L34-I103 HydrophobicContact CD2-CG1 4.03Å
35A93.4Very high94.7Very high60 Ų6071.9 Ų71.950%0.49640%0.395SS..  trans-98.4-13.9178.800000113.7P33 C81P33-A35 PolarHBondContact O-N 3.47Å; A35-C81 HydrophobicContact CB-CB 4.34Å; A35-C81 WeakPolarHBondContact CB-O 3.45Å
36C92.8Very high94.2Very high11 Ų1173.3 Ų73.37%0.07440%0.396CS..  trans-68.1134.3176.5-57.10000111.1L34 C81 D82 I103L34-C36 HydrophobicContact CD1-CB 3.99Å; C36-C81 WeakPolarHBondContact CA-SG 3.36Å; C36-C81 HydrophobicContact CB-CB 4.02Å; C36-C81 WeakPolarHBondContact CB-SG 3.34Å; C36-C81 VanDerWaalsContact SG-C 3.54Å; C36-C81 WeakPolarHBondContact SG-CB 3.12Å; C36-C81 CovalentContact SG-SG 2.04Å; C36-C81 PolarHBondContact SG-SG 3.17Å; C36-D82 VanDerWaalsContact SG-CB 3.57Å; C36-I103 HydrophobicContact CB-CG2 3.67Å
37R93.6Very high94Very high225 Ų22572 Ų7285%0.84939%0.391SS*.  trans-121.6-17.2-174.1-59.5-173.5-177.9-162.4-0.5114.9L39R37-L39 PolarHBondContact O-N 3.05Å
38A93Very high93.5Very high49 Ų4963.2 Ų63.241%0.40535%0.353SS..PPolyproline II helixtrans-66.4131-179.600000109.6I103 Q104A38-I103 WeakPolarHBondContact O-CA 3.32Å; A38-Q104 HydrophobicContact CB-CB 3.92Å; A38-Q104 HydrophobicContact CB-CG 4.28Å; A38-Q104 PolarHBondContact O-N 2.63Å
39L94.9Very high93.1Very high123 Ų12360.5 Ų60.564%0.64435%0.345SS*.BIsolated β-bridgetrans-96.4145.8-177.2-64.2173.4000111R37 N102 I103R37-L39 PolarHBondContact O-N 3.05Å; L39-N102 CarbonylContact C-O 3.39Å; L39-N102 VanDerWaalsContact CA-O 3.32Å; L39-N102 WeakPolarHBondContact CA-O 3.49Å; L39-N102 WeakPolarHBondContact CD2-O 3.43Å; L39-I103 HydrophobicContact CD2-CD1 3.85Å
40L93.4Very high92.6Very high15 Ų1561.7 Ų61.78%0.07935%0.351CS..PPolyproline II helixtrans-78145.3168.7-72.7173.5000110.7L42 V44 N102 Q104 N112 N113 L116L40-L42 HydrophobicContact CB-CD2 4Å; L40-L42 HydrophobicContact CB-CG 4.45Å; L40-L42 HydrophobicContact CD1-CD2 4.46Å; L40-V44 HydrophobicContact CB-CG1 4.31Å; L40-V44 HydrophobicContact CD1-CG1 4.18Å; L40-V44 HydrophobicContact CD2-CG1 4.01Å; L40-V44 HydrophobicContact CG-CG1 4.4Å; L40-N102 PolarHBondContact N-O 2.76Å; L40-Q104 HydrophobicContact CD2-CB 4.06Å; L40-Q104 HydrophobicContact CG-CB 4.37Å; L40-N112 WeakPolarHBondContact CD2-O 3.24Å; L40-N113 WeakPolarHBondContact CD2-O 2.86Å; L40-L116 HydrophobicContact CD1-CD2 3.89Å
41T90.8Very high92.1Very high121 Ų12162.2 Ų62.274%0.74234%0.343SS*.  trans-89.5111.9163.9-560000108
42L93.5Very high91.6Very high59 Ų5961.9 Ų61.931%0.30934%0.337SS..SBendtrans-96.7150-176.3-60.6179000112L40 V44 N102 H149L40-L42 HydrophobicContact CB-CD2 4Å; L40-L42 HydrophobicContact CB-CG 4.45Å; L40-L42 HydrophobicContact CD1-CD2 4.46Å; L42-V44 HydrophobicContact CD2-CG1 4.11Å; L42-N102 WeakPolarHBondContact CD1-OD1 3.3Å; L42-H149 WeakPolarHBondContact CD1-ND1 3.4Å; L42-H149 WeakPolarHBondContact CD2-O 3.37Å
43P96.1Very high90.9Very high77 Ų7759.6 Ų59.650%0.534%0.336SS..SBendcis-70.9140.4-6.929.1-33.6000111.2G148 H149P43-G148 WeakPolarHBondContact CA-O 3.37Å; P43-G148 WeakPolarHBondContact CB-O 3.32Å; P43-H149 WeakPolarHBondContact CA-O 3.19Å
44V91.9Very high90.4Very high2 Ų256.6 Ų56.61%0.01233%0.328CS..EExtended strand (participates in β ladder)trans-71.5153.1171-67.40000110.6L40 L42 I114 L116 H149 L150 S151L40-V44 HydrophobicContact CB-CG1 4.31Å; L40-V44 HydrophobicContact CD1-CG1 4.18Å; L40-V44 HydrophobicContact CD2-CG1 4.01Å; L40-V44 HydrophobicContact CG-CG1 4.4Å; L42-V44 HydrophobicContact CD2-CG1 4.11Å; V44-I114 WeakPolarHBondContact CB-O 2.97Å; V44-L116 HydrophobicContact CG2-CB 4.47Å; V44-L116 HydrophobicContact CG2-CD1 4.28Å; V44-L116 HydrophobicContact CG2-CG 3.7Å; V44-H149 WeakPolarHBondContact CG2-O 3.39Å; V44-H149 PolarHBondContact N-O 3.45Å; V44-L150 HydrophobicContact CG2-CD1 3.81Å; V44-S151 WeakPolarHBondContact O-CB 3.43Å; V44-S151 PolarHBondContact O-N 3.3Å
45A87.7Confident90.1Very high40 Ų4054.6 Ų54.633%0.33132%0.317SS..EExtended strand (participates in β ladder)trans-96.1-9.2-177.800000113.4I114 Y154 I155A45-I114 PolarHBondContact N-O 3.48Å; A45-Y154 CarbonylContact O-C 3.53Å; A45-Y154 WeakPolarHBondContact O-CA 3.48Å; A45-I155 PolarHBondContact O-N 3.18Å
46Y87.6Confident89.8Confident64 Ų6456.4 Ų56.425%0.25132%0.315SS..EExtended strand (participates in β ladder)trans-130.7148.5-171.9-59.8-93.2000113.5Y111 I114 S115 L116 I155 P157Y46-Y111 HydrophobicContact CD1-CD1 4.37Å; Y46-Y111 HydrophobicContact CD1-CE1 4.1Å; Y46-Y111 HydrophobicContact CE1-CE1 4.22Å; Y46-Y111 HydrophobicContact CG-CD1 4.27Å; Y46-Y111 HydrophobicContact CG-CE1 4.43Å; Y46-I114 HydrophobicContact CD2-CB 4.28Å; Y46-I114 HydrophobicContact CD2-CD1 3.85Å; Y46-I114 HydrophobicContact CD2-CG1 4.04Å; Y46-I114 WeakPolarHBondContact CD2-O 3.38Å; Y46-I114 HydrophobicContact CE2-CD1 3.77Å; Y46-I114 HydrophobicContact CE2-CG1 4.43Å; Y46-I114 PolarHBondContact N-O 3.33Å; Y46-S115 CarbonylContact O-C 3.51Å; Y46-S115 WeakPolarHBondContact O-CA 3.4Å; Y46-S115 WeakPolarHBondContact O-CB 3.41Å; Y46-L116 PolarHBondContact O-N 2.88Å; Y46-I155 CarbonylContact C-O 3.59Å; Y46-I155 WeakPolarHBondContact CA-O 3.39Å; Y46-I155 HydrophobicContact CD1-CB 3.65Å; Y46-I155 HydrophobicContact CD1-CG2 3.97Å; Y46-I155 HydrophobicContact CE1-CB 3.68Å; Y46-I155 HydrophobicContact CE1-CD1 3.87Å; Y46-I155 HydrophobicContact CE1-CG1 4.35Å; Y46-I155 HydrophobicContact CE1-CG2 3.86Å; Y46-P157 HydrophobicContact CD1-CG 4Å
47I92.6Very high89.6Confident1 Ų156 Ų561%0.00531%0.313CS..EExtended strand (participates in β ladder)trans-113.6129.8163.1-79-176.4000108.2T49 I118 I141 L150 Y154 I155 Q156 P157I47-T49 HydrophobicContact CG2-CG2 3.88Å; I47-I118 HydrophobicContact CD1-CD1 4.29Å; I47-I118 HydrophobicContact CG2-CD1 4.28Å; I47-I141 HydrophobicContact CD1-CB 4.3Å; I47-I141 HydrophobicContact CD1-CD1 3.63Å; I47-I141 HydrophobicContact CD1-CG1 3.51Å; I47-I141 HydrophobicContact CD1-CG2 3.93Å; I47-L150 HydrophobicContact CD1-CD1 4.43Å; I47-L150 HydrophobicContact CD1-CD2 3.41Å; I47-L150 VanDerWaalsContact CD1-CD2 3.41Å; I47-L150 HydrophobicContact CG1-CD1 3.9Å; I47-L150 HydrophobicContact CG1-CD2 3.83Å; I47-Y154 HydrophobicContact CB-CD2 4.06Å; I47-Y154 HydrophobicContact CB-CE2 4.19Å; I47-Y154 HydrophobicContact CD1-CD2 4Å; I47-Y154 HydrophobicContact CD1-CE2 3.8Å; I47-Y154 HydrophobicContact CG1-CD2 3.96Å; I47-Y154 HydrophobicContact CG1-CE2 4.2Å; I47-I155 PolarHBondContact N-O 3.5Å; I47-Q156 HydrophobicContact CG2-CG 4.37Å; I47-Q156 WeakPolarHBondContact O-CA 3.48Å; I47-Q156 WeakPolarHBondContact O-CG 3.47Å; I47-P157 VanDerWaalsContact O-CD 3.28Å; I47-P157 WeakPolarHBondContact O-CD 3.35Å
48I86.9Confident89.2Confident7 Ų753.4 Ų53.44%0.03631%0.31CS..EExtended strand (participates in β ladder)trans-109.9122.4167.8-51.2-46.7000108.6T108 Y111 L116 G117 I118 P157 L159I48-T108 WeakPolarHBondContact CG2-OG1 3.14Å; I48-Y111 HydrophobicContact CD1-CD1 4.11Å; I48-Y111 HydrophobicContact CD1-CG 4.19Å; I48-L116 PolarHBondContact N-O 2.6Å; I48-G117 CarbonylContact O-C 3.6Å; I48-G117 WeakPolarHBondContact O-CA 3.04Å; I48-I118 PolarHBondContact O-N 3.27Å; I48-P157 HydrophobicContact CD1-CG 3.29Å; I48-L159 HydrophobicContact CD1-CD1 3.35Å; I48-L159 HydrophobicContact CD1-CG 4.13Å; I48-L159 HydrophobicContact CG1-CD1 3.89Å; I48-L159 HydrophobicContact CG2-CD1 3.96Å
49T89.7Confident89.2Confident58 Ų5857.1 Ų57.136%0.35632%0.319SS..EExtended strand (participates in β ladder)trans-103141.8174.151.20000110.9I47 I118 F120 Q156I47-T49 HydrophobicContact CG2-CG2 3.88Å; T49-I118 CarbonylContact C-O 3.6Å; T49-I118 VanDerWaalsContact CA-O 3.24Å; T49-I118 WeakPolarHBondContact CA-O 3.12Å; T49-I118 HydrophobicContact CG2-CB 4.48Å; T49-F120 HydrophobicContact CG2-CE2 3.99Å; T49-Q156 PolarHBondContact OG1-NE2 2.98Å
50D86.3Confident89.2Confident24 Ų2454.1 Ų54.113%0.12830%0.302CS..EExtended strand (participates in β ladder)trans-139.1159.7177.5-162.16.5000111.8Y85 I118 A119 F120 K161D50-Y85 HydrophobicContact CB-CE1 3.59Å; D50-Y85 PolarHBondContact OD2-OH 2.89Å; D50-I118 PolarHBondContact N-O 3.15Å; D50-A119 CarbonylContact O-C 3.58Å; D50-A119 WeakPolarHBondContact O-CA 3.48Å; D50-F120 PolarHBondContact O-N 3.26Å; D50-K161 WeakPolarHBondContact OD1-CE 3.39Å; D50-K161 IonicContact OD1-NZ 2.63Å; D50-K161 PolarHBondContact OD1-NZ 3.15Å; D50-K161 WeakPolarHBondContact OD2-CE 3.37Å; D50-K161 IonicContact OD2-NZ 2.69Å; D50-K161 PolarHBondContact OD2-NZ 3.07Å
51Q86.4Confident89.3Confident51 Ų5156.6 Ų56.624%0.23832%0.32CS..EExtended strand (participates in β ladder)trans-111.2143172.6-65.5-167.7-26.600110.6P53 S127 K161Q51-P53 VanDerWaalsContact O-CD 3.31Å; Q51-P53 WeakPolarHBondContact O-CD 3.42Å; Q51-S127 PolarHBondContact NE2-O 3.37Å; Q51-S127 PolarHBondContact OE1-O 2.83Å; Q51-K161 PolarHBondContact O-NZ 3.28Å
52L87.6Confident89.5Confident18 Ų1854 Ų549%0.09430%0.301CS..EExtended strand (participates in β ladder)trans-113.388.3175-60178000109.1M55 L70 Y85 L88 A119 F120 F121 G122L52-M55 HydrophobicContact CB-CB 4.18Å; L52-M55 HydrophobicContact CB-CG 4.05Å; L52-M55 HydrophobicContact CB-SD 3.85Å; L52-M55 HydrophobicContact CD1-SD 3.8Å; L52-M55 HydrophobicContact CG-SD 4.38Å; L52-M55 PolarHBondContact O-N 3.26Å; L52-L70 HydrophobicContact CD1-CD2 3.7Å; L52-Y85 HydrophobicContact CD1-CE2 4.43Å; L52-Y85 HydrophobicContact CD2-CE2 4.02Å; L52-L88 HydrophobicContact CD1-CD2 3.68Å; L52-A119 HydrophobicContact CD1-CB 3.76Å; L52-A119 HydrophobicContact CG-CB 3.99Å; L52-F120 PolarHBondContact N-O 3.18Å; L52-F121 HydrophobicContact CB-CD1 4.46Å; L52-F121 HydrophobicContact CD1-CD1 4.02Å; L52-F121 HydrophobicContact CD1-CE1 3.97Å; L52-G122 PolarHBondContact O-N 3.46Å; L52-G122 VanDerWaalsContact O-N 3.12Å
53P82.7Confident89.6Confident60 Ų6051.2 Ų51.239%0.3929%0.287SS..EExtended strand (participates in β ladder)trans-61.3142.5178.3-17.128.6000111.4Q51 M55 G122 I125Q51-P53 VanDerWaalsContact O-CD 3.31Å; Q51-P53 WeakPolarHBondContact O-CD 3.42Å; P53-M55 VanDerWaalsContact C-N 3.26Å; P53-M55 PolarHBondContact O-N 2.77Å; P53-G122 CarbonylContact C-O 3.53Å; P53-I125 HydrophobicContact CB-CG1 3.91Å; P53-I125 HydrophobicContact CG-CB 4.37Å; P53-I125 HydrophobicContact CG-CD1 4.42Å; P53-I125 HydrophobicContact CG-CG1 3.37Å
54G83.4Confident89.6Confident59 Ų5948.4 Ų48.461%0.60827%0.267SS*.THydrogen-bonded Turntrans77.95.6-18000000114.7G122 S123G54-G122 PolarHBondContact N-O 3.32Å; G54-S123 PolarHBondContact N-O 3.01Å
55M88.1Confident89.8Confident23 Ų2354 Ų5411%0.11329%0.293CS..  trans-102.828.9177.3-66.4-158.66700113.3L52 P53 C57 M66 L70 F121 G122L52-M55 HydrophobicContact CB-CB 4.18Å; L52-M55 HydrophobicContact CB-CG 4.05Å; L52-M55 HydrophobicContact CB-SD 3.85Å; L52-M55 HydrophobicContact CD1-SD 3.8Å; L52-M55 HydrophobicContact CG-SD 4.38Å; L52-M55 PolarHBondContact O-N 3.26Å; P53-M55 VanDerWaalsContact C-N 3.26Å; P53-M55 PolarHBondContact O-N 2.77Å; M55-C57 PolarHBondContact O-N 2.88Å; M55-M66 HydrophobicContact CB-SD 4.3Å; M55-M66 HydrophobicContact CE-CB 3.67Å; M55-M66 VanDerWaalsContact CE-O 3.3Å; M55-M66 WeakPolarHBondContact CE-O 3.37Å; M55-L70 HydrophobicContact CE-CB 3.76Å; M55-L70 HydrophobicContact CE-CD2 4.18Å; M55-L70 HydrophobicContact CE-CG 4.46Å; M55-L70 HydrophobicContact SD-CB 4.14Å; M55-L70 HydrophobicContact SD-CD1 4.08Å; M55-L70 HydrophobicContact SD-CD2 3.99Å; M55-L70 HydrophobicContact SD-CG 4.3Å; M55-F121 HydrophobicContact CB-CB 4.38Å; M55-F121 HydrophobicContact CB-CD1 3.98Å; M55-F121 HydrophobicContact CB-CG 4.18Å; M55-F121 HydrophobicContact CE-CD1 4.35Å; M55-F121 HydrophobicContact CE-CE1 3.79Å; M55-F121 HydrophobicContact CE-CZ 4.05Å; M55-F121 VanDerWaalsContact O-CB 3.28Å; M55-F121 WeakPolarHBondContact O-CB 3.31Å; M55-F121 WeakPolarHBondContact O-CG 3.28Å; M55-F121 HydrophobicContact SD-CD1 4.4Å; M55-F121 HydrophobicContact SD-CE1 4.21Å; M55-G122 PolarHBondContact N-O 3.35Å; M55-G122 VanDerWaalsContact N-O 3.13Å
56Q86.4Confident90.2Very high98 Ų9854.8 Ų54.846%0.45829%0.291SS..  trans-68128.6-173.8-139178.813.100112.6M66 D91 G122 S123Q56-M66 WeakPolarHBondContact O-CE 3.3Å; Q56-M66 VanDerWaalsContact O-SD 3.41Å; Q56-D91 WeakPolarHBondContact CA-OD2 3.34Å; Q56-D91 WeakPolarHBondContact CG-OD2 3.49Å; Q56-G122 PolarHBondContact N-O 3.49Å; Q56-S123 VanDerWaalsContact CD-CB 3.4Å; Q56-S123 VanDerWaalsContact NE2-CB 3.34Å
57C88.9Confident90.6Very high3 Ų351.8 Ų51.82%0.0228%0.279CS..  trans-149.7134.6-179.566.40000112.3M55 I62 C63 M66 D91 D92 F121M55-C57 PolarHBondContact O-N 2.88Å; C57-I62 HydrophobicContact CB-CB 4.19Å; C57-I62 HydrophobicContact CB-CG2 3.79Å; C57-C63 HydrophobicContact CB-CB 3.97Å; C57-C63 WeakPolarHBondContact CB-SG 3.16Å; C57-C63 WeakPolarHBondContact SG-CA 3.34Å; C57-C63 WeakPolarHBondContact SG-CB 3.36Å; C57-C63 CovalentContact SG-SG 2.02Å; C57-C63 PolarHBondContact SG-SG 3.05Å; C57-M66 HydrophobicContact CB-SD 3.99Å; C57-D91 PolarHBondContact N-OD2 3.3Å; C57-D91 VanDerWaalsContact O-CB 3.29Å; C57-D91 WeakPolarHBondContact O-CB 3.41Å; C57-D91 PolarHBondContact O-N 3.46Å; C57-D92 PolarHBondContact O-N 3.38Å; C57-F121 WeakPolarHBondContact SG-CD2 3.48Å
58Q86.3Confident90.9Very high169 Ų16956.2 Ų56.279%0.7930%0.296SS*.SBendtrans-110.1-8.3-178.7-65.1-171.4-21.700113.7
59E92.2Very high91.3Very high127 Ų12757.9 Ų57.959%0.59332%0.315SS*.SBendtrans-125.4141.2177.1-66.5-175.6-171.200110.3S61 I62 C63E59-S61 PolarHBondContact O-N 3.36Å; E59-S61 VanDerWaalsContact O-N 3.17Å; E59-I62 HydrophobicContact CB-CG1 4.21Å; E59-I62 WeakPolarHBondContact O-CB 3.18Å; E59-I62 PolarHBondContact O-N 3.48Å; E59-C63 PolarHBondContact O-N 2.75Å; E59-C63 PolarHBondContact O-SG 3.07Å; E59-C63 VanDerWaalsContact O-SG 3.34Å
60Q94.6Very high91.6Very high61 Ų6156.5 Ų56.529%0.28531%0.305SS..Hα-helixtrans-55.9-37.3-178.4-177.4-179.1-18.300112.6V24 I62 C63 N64 Y96V24-Q60 HydrophobicContact CG2-CG 4.4Å; Q60-I62 VanDerWaalsContact C-N 3.32Å; Q60-I62 PolarHBondContact O-N 3.44Å; Q60-C63 PolarHBondContact O-N 3.07Å; Q60-N64 VanDerWaalsContact O-CB 3.27Å; Q60-N64 WeakPolarHBondContact O-CB 3.44Å; Q60-N64 PolarHBondContact O-N 3.1Å; Q60-N64 PolarHBondContact O-ND2 3.49Å; Q60-N64 PolarHBondContact O-OD1 2.8Å; Q60-Y96 WeakPolarHBondContact CA-OH 3.42Å; Q60-Y96 HydrophobicContact CG-CE1 4.42Å
61S95.5Very high92.1Very high66 Ų6655.4 Ų55.446%0.46230%0.299SS..Hα-helixtrans-59.7-41.6177.357.80000112.2E59 Q65E59-S61 PolarHBondContact O-N 3.36Å; E59-S61 VanDerWaalsContact O-N 3.17Å; S61-Q65 PolarHBondContact O-N 3.39Å; S61-Q65 VanDerWaalsContact O-N 3.14Å
62I95.1Very high92.5Very high68 Ų6854.7 Ų54.735%0.34930%0.3SS..Hα-helixtrans-73.1-44.9178.3-57.1-59000110.3C57 E59 Q60 N64 Q65 M66C57-I62 HydrophobicContact CB-CB 4.19Å; C57-I62 HydrophobicContact CB-CG2 3.79Å; E59-I62 HydrophobicContact CB-CG1 4.21Å; E59-I62 WeakPolarHBondContact O-CB 3.18Å; E59-I62 PolarHBondContact O-N 3.48Å; Q60-I62 VanDerWaalsContact C-N 3.32Å; Q60-I62 PolarHBondContact O-N 3.44Å; I62-N64 VanDerWaalsContact C-N 3.31Å; I62-N64 PolarHBondContact O-N 2.87Å; I62-Q65 WeakPolarHBondContact O-CB 3.48Å; I62-Q65 PolarHBondContact O-N 2.93Å; I62-M66 HydrophobicContact CG2-CE 4.34Å; I62-M66 HydrophobicContact CG2-CG 4.5Å; I62-M66 WeakPolarHBondContact O-CG 3.44Å; I62-M66 PolarHBondContact O-N 2.82Å
63C94.6Very high92.6Very high0 Ų058.1 Ų58.10%032%0.315CS..Hα-helixtrans-59.2-42.8175.5-61.10000111.7C57 E59 Q60 Q65 M66 L67 Y96 F121C57-C63 HydrophobicContact CB-CB 3.97Å; C57-C63 WeakPolarHBondContact CB-SG 3.16Å; C57-C63 WeakPolarHBondContact SG-CA 3.34Å; C57-C63 WeakPolarHBondContact SG-CB 3.36Å; C57-C63 CovalentContact SG-SG 2.02Å; C57-C63 PolarHBondContact SG-SG 3.05Å; E59-C63 PolarHBondContact O-N 2.75Å; E59-C63 PolarHBondContact O-SG 3.07Å; E59-C63 VanDerWaalsContact O-SG 3.34Å; Q60-C63 PolarHBondContact O-N 3.07Å; C63-Q65 VanDerWaalsContact C-N 3.32Å; C63-Q65 PolarHBondContact O-N 2.89Å; C63-M66 PolarHBondContact O-N 3.11Å; C63-L67 WeakPolarHBondContact O-CB 3.45Å; C63-L67 PolarHBondContact O-N 3.35Å; C63-Y96 HydrophobicContact CB-CE1 3.95Å; C63-Y96 HydrophobicContact CB-CE2 3.95Å; C63-Y96 VanDerWaalsContact CB-CZ 3.41Å; C63-Y96 WeakPolarHBondContact CB-OH 3.38Å; C63-F121 HydrophobicContact CB-CE2 4.15Å
64N97.4Very high93.1Very high17 Ų1755.4 Ų55.49%0.09130%0.297CS..Hα-helixtrans-58.2-43.8173.3-71-15.7000111.5W29 Q60 I62 R68 Y96W29-N64 WeakPolarHBondContact CA-OD1 3.06Å; W29-N64 HydrophobicContact CB-CB 4.19Å; W29-N64 WeakPolarHBondContact CB-OD1 3.41Å; Q60-N64 VanDerWaalsContact O-CB 3.27Å; Q60-N64 WeakPolarHBondContact O-CB 3.44Å; Q60-N64 PolarHBondContact O-N 3.1Å; Q60-N64 PolarHBondContact O-ND2 3.49Å; Q60-N64 PolarHBondContact O-OD1 2.8Å; I62-N64 VanDerWaalsContact C-N 3.31Å; I62-N64 PolarHBondContact O-N 2.87Å; N64-R68 WeakPolarHBondContact O-CG 3.47Å; N64-R68 PolarHBondContact O-N 3.02Å; N64-R68 VanDerWaalsContact O-N 3.07Å; N64-Y96 VanDerWaalsContact OD1-CE1 3.31Å; N64-Y96 WeakPolarHBondContact OD1-CE1 3.39Å
65Q96.1Very high93.6Very high120 Ų12054.7 Ų54.756%0.56128%0.279SS*.Hα-helixtrans-65.3-45.3178.6-175.51799.800112S61 I62 C63 L67 R68 G69S61-Q65 PolarHBondContact O-N 3.39Å; S61-Q65 VanDerWaalsContact O-N 3.14Å; I62-Q65 WeakPolarHBondContact O-CB 3.48Å; I62-Q65 PolarHBondContact O-N 2.93Å; C63-Q65 VanDerWaalsContact C-N 3.32Å; C63-Q65 PolarHBondContact O-N 2.89Å; Q65-L67 VanDerWaalsContact C-N 3.35Å; Q65-R68 PolarHBondContact O-N 3.38Å; Q65-G69 PolarHBondContact O-N 3.07Å
66M95.1Very high93.7Very high57 Ų5760.9 Ų60.928%0.28130%0.302SS..Hα-helixtrans-61.8-42.9177.1-71.9-167.5165.800111.7M55 Q56 C57 I62 C63 R68 G69 L70M55-M66 HydrophobicContact CB-SD 4.3Å; M55-M66 HydrophobicContact CE-CB 3.67Å; M55-M66 VanDerWaalsContact CE-O 3.3Å; M55-M66 WeakPolarHBondContact CE-O 3.37Å; Q56-M66 WeakPolarHBondContact O-CE 3.3Å; Q56-M66 VanDerWaalsContact O-SD 3.41Å; C57-M66 HydrophobicContact CB-SD 3.99Å; I62-M66 HydrophobicContact CG2-CE 4.34Å; I62-M66 HydrophobicContact CG2-CG 4.5Å; I62-M66 WeakPolarHBondContact O-CG 3.44Å; I62-M66 PolarHBondContact O-N 2.82Å; C63-M66 PolarHBondContact O-N 3.11Å; M66-R68 PolarHBondContact O-N 2.83Å; M66-G69 WeakPolarHBondContact O-CA 3.48Å; M66-G69 PolarHBondContact O-N 3.05Å; M66-G69 VanDerWaalsContact O-N 3.11Å; M66-L70 PolarHBondContact O-N 2.88Å
67L97.2Very high93.6Very high0 Ų060.9 Ų60.90%031%0.309CS..Hα-helixtrans-64.4-39.3178-174.351.5000112.7W29 C63 Q65 G69 L70 Q71 V83 L88 Y96 F121W29-L67 HydrophobicContact CB-CD2 4.46Å; W29-L67 HydrophobicContact CD2-CD2 3.55Å; W29-L67 HydrophobicContact CD2-CG 3.94Å; W29-L67 HydrophobicContact CE3-CB 4.29Å; W29-L67 HydrophobicContact CE3-CD2 3.98Å; W29-L67 HydrophobicContact CE3-CG 3.83Å; W29-L67 HydrophobicContact CG-CD2 3.79Å; W29-L67 HydrophobicContact CH2-CD2 4.4Å; W29-L67 HydrophobicContact CH2-CG 4.04Å; W29-L67 HydrophobicContact CZ2-CD2 4Å; W29-L67 HydrophobicContact CZ2-CG 4.13Å; W29-L67 HydrophobicContact CZ3-CD2 4.38Å; W29-L67 HydrophobicContact CZ3-CG 3.88Å; C63-L67 WeakPolarHBondContact O-CB 3.45Å; C63-L67 PolarHBondContact O-N 3.35Å; Q65-L67 VanDerWaalsContact C-N 3.35Å; L67-G69 VanDerWaalsContact C-N 3.3Å; L67-G69 PolarHBondContact O-N 3.08Å; L67-L70 HydrophobicContact CD1-CD2 4.13Å; L67-L70 PolarHBondContact O-N 2.65Å; L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 3.19Å; L67-V83 HydrophobicContact CD1-CG1 4.1Å; L67-L88 HydrophobicContact CD1-CD1 3.79Å; L67-L88 HydrophobicContact CD1-CD2 3.85Å; L67-L88 HydrophobicContact CD1-CG 4.38Å; L67-L88 HydrophobicContact CD2-CD1 4.45Å; L67-Y96 HydrophobicContact CD2-CD1 4.11Å; L67-Y96 HydrophobicContact CD2-CG 4.13Å; L67-F121 HydrophobicContact CB-CZ 4.27Å; L67-F121 HydrophobicContact CD1-CZ 4.46Å
68R97.9Very high93.6Very high94 Ų9464.4 Ų64.436%0.35533%0.327SS..Hα-helixtrans-62.7-36.8171.6-72.5-175.4-62.6-99.73.3112.5W29 N64 Q65 M66 S72W29-R68 HydrophobicContact CE3-CG 3.89Å; W29-R68 HydrophobicContact CZ3-CG 3.97Å; W29-R68 PolarHBondContact O-NH1 3.37Å; N64-R68 WeakPolarHBondContact O-CG 3.47Å; N64-R68 PolarHBondContact O-N 3.02Å; N64-R68 VanDerWaalsContact O-N 3.07Å; Q65-R68 PolarHBondContact O-N 3.38Å; M66-R68 PolarHBondContact O-N 2.83Å; R68-S72 WeakPolarHBondContact O-CB 3.47Å; R68-S72 PolarHBondContact O-N 2.95Å; R68-S72 PolarHBondContact O-OG 3.33Å
69G95.1Very high93.8Very high42 Ų4259.3 Ų59.343%0.43332%0.32SS..Hα-helixtrans-62.1-48.917300000111.8Q65 M66 L67 Q71 S72 H73Q65-G69 PolarHBondContact O-N 3.07Å; M66-G69 WeakPolarHBondContact O-CA 3.48Å; M66-G69 PolarHBondContact O-N 3.05Å; M66-G69 VanDerWaalsContact O-N 3.11Å; L67-G69 VanDerWaalsContact C-N 3.3Å; L67-G69 PolarHBondContact O-N 3.08Å; G69-Q71 PolarHBondContact O-N 2.87Å; G69-S72 PolarHBondContact O-N 2.66Å; G69-H73 PolarHBondContact O-N 3.1Å
70L95.7Very high93.8Very high29 Ų2957.5 Ų57.515%0.15231%0.308CS..Hα-helixtrans-60.4-44.8176.5179.768.4000112.3L52 M55 M66 L67 S72 H73 S74 V83 L88L52-L70 HydrophobicContact CD1-CD2 3.7Å; M55-L70 HydrophobicContact CE-CB 3.76Å; M55-L70 HydrophobicContact CE-CD2 4.18Å; M55-L70 HydrophobicContact CE-CG 4.46Å; M55-L70 HydrophobicContact SD-CB 4.14Å; M55-L70 HydrophobicContact SD-CD1 4.08Å; M55-L70 HydrophobicContact SD-CD2 3.99Å; M55-L70 HydrophobicContact SD-CG 4.3Å; M66-L70 PolarHBondContact O-N 2.88Å; L67-L70 HydrophobicContact CD1-CD2 4.13Å; L67-L70 PolarHBondContact O-N 2.65Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 2.79Å; L70-H73 PolarHBondContact O-N 2.96Å; L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 2.96Å; L70-S74 PolarHBondContact O-OG 3.4Å; L70-V83 HydrophobicContact CD2-CG1 4.29Å; L70-V83 HydrophobicContact CG-CG1 4.27Å; L70-L88 HydrophobicContact CD2-CD2 3.63Å
71Q97.5Very high93.7Very high2 Ų256.7 Ų56.71%0.00931%0.308CS..Hα-helixtrans-60.5-43.6176-174-178.753.200111R26 W29 L67 G69 S74 I75 D82 V83R26-Q71 VanDerWaalsContact NH2-NE2 3.19Å; W29-Q71 HydrophobicContact CH2-CB 4.23Å; W29-Q71 HydrophobicContact CH2-CG 4.39Å; W29-Q71 HydrophobicContact CZ3-CB 4.44Å; L67-Q71 WeakPolarHBondContact O-CB 3.48Å; L67-Q71 PolarHBondContact O-N 3.19Å; G69-Q71 PolarHBondContact O-N 2.87Å; Q71-S74 PolarHBondContact O-N 3.5Å; Q71-I75 HydrophobicContact CG-CD1 3.79Å; Q71-I75 VanDerWaalsContact O-CG1 3.32Å; Q71-I75 WeakPolarHBondContact O-CG1 3.48Å; Q71-I75 PolarHBondContact O-N 2.8Å; Q71-D82 PolarHBondContact NE2-OD1 3.26Å; Q71-D82 PolarHBondContact NE2-OD2 3.42Å; Q71-V83 HydrophobicContact CB-CG1 3.75Å; Q71-V83 HydrophobicContact CG-CG1 4.23Å
72S95.1Very high93.8Very high36 Ų3653.6 Ų53.625%0.25229%0.286SS..Hα-helixtrans-64.7-43.1178.9-58.90000111.6R68 G69 L70 I75 Y76R68-S72 WeakPolarHBondContact O-CB 3.47Å; R68-S72 PolarHBondContact O-N 2.95Å; R68-S72 PolarHBondContact O-OG 3.33Å; G69-S72 PolarHBondContact O-N 2.66Å; L70-S72 VanDerWaalsContact C-N 3.32Å; L70-S72 PolarHBondContact O-N 2.79Å; S72-I75 PolarHBondContact O-N 2.91Å; S72-Y76 WeakPolarHBondContact O-CB 3.33Å; S72-Y76 VanDerWaalsContact O-CD2 3.23Å; S72-Y76 WeakPolarHBondContact O-CD2 3.44Å; S72-Y76 PolarHBondContact O-N 2.9Å
73H90.7Very high93.9Very high89 Ų8950.4 Ų50.441%0.41227%0.27SS..Hα-helixtrans-63.5-44.2175.4-177.767.7000112.1G69 L70 I75 T77 I78G69-H73 PolarHBondContact O-N 3.1Å; L70-H73 PolarHBondContact O-N 2.96Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 2.52Å; H73-T77 WeakPolarHBondContact ND1-CB 3.42Å; H73-T77 PolarHBondContact ND1-OG1 3.33Å; H73-T77 WeakPolarHBondContact O-CA 3.46Å; H73-T77 WeakPolarHBondContact O-CB 3.23Å; H73-T77 PolarHBondContact O-N 2.84Å; H73-I78 PolarHBondContact O-N 3.41Å; H73-I78 VanDerWaalsContact O-N 3.14Å
74S92.4Very high93.9Very high3 Ų350.4 Ų50.42%0.02127%0.27CS..Iπ-helixtrans-59.5-44.5178.4-56.30000111.6L70 Q71 I78 G79 W80 D82L70-S74 WeakPolarHBondContact O-CB 3.42Å; L70-S74 PolarHBondContact O-N 2.96Å; L70-S74 PolarHBondContact O-OG 3.4Å; Q71-S74 PolarHBondContact O-N 3.5Å; S74-I78 WeakPolarHBondContact O-CB 3.42Å; S74-G79 PolarHBondContact O-N 3.31Å; S74-W80 PolarHBondContact O-N 3.32Å; S74-D82 WeakPolarHBondContact CB-O 3.31Å
75I92.8Very high93.9Very high44 Ų4450.6 Ų50.623%0.22627%0.27CS..Iπ-helixtrans-74.3-51.1-178.5-65.8170.1000111.8Q71 S72 H73 G79 W80Q71-I75 HydrophobicContact CG-CD1 3.79Å; Q71-I75 VanDerWaalsContact O-CG1 3.32Å; Q71-I75 WeakPolarHBondContact O-CG1 3.48Å; Q71-I75 PolarHBondContact O-N 2.8Å; S72-I75 PolarHBondContact O-N 2.91Å; H73-I75 VanDerWaalsContact C-N 3.34Å; H73-I75 PolarHBondContact O-N 2.52Å; I75-G79 WeakPolarHBondContact O-CA 3.25Å; I75-W80 WeakPolarHBondContact CA-O 3.32Å
76Y91.4Very high94Very high153 Ų15344.9 Ų44.960%0.624%0.243SC*.Iπ-helixtrans-92.2-23.4-167.9-63-60.2000114.2R32 S72R32-Y76 PolarHBondContact NH1-OH 3.39Å; S72-Y76 WeakPolarHBondContact O-CB 3.33Å; S72-Y76 VanDerWaalsContact O-CD2 3.23Å; S72-Y76 WeakPolarHBondContact O-CD2 3.44Å; S72-Y76 PolarHBondContact O-N 2.9Å
77T83.4Confident94.2Very high98 Ų9842.2 Ų42.260%0.60123%0.23SC*.Iπ-helixtrans-103.9-46.1-179.4-47.90000111.8H73H73-T77 WeakPolarHBondContact ND1-CB 3.42Å; H73-T77 PolarHBondContact ND1-OG1 3.33Å; H73-T77 WeakPolarHBondContact O-CA 3.46Å; H73-T77 WeakPolarHBondContact O-CB 3.23Å; H73-T77 PolarHBondContact O-N 2.84Å
78I89.8Confident94.2Very high77 Ų7742.2 Ų42.240%0.39523%0.23SC..Iπ-helixtrans-88.1-25.8-176.9-50.8178.9000111.5H73 S74 W80H73-I78 PolarHBondContact O-N 3.41Å; H73-I78 VanDerWaalsContact O-N 3.14Å; S74-I78 WeakPolarHBondContact O-CB 3.42Å; I78-W80 HydrophobicContact CB-CD2 4.36Å; I78-W80 HydrophobicContact CB-CG 4.42Å; I78-W80 HydrophobicContact CD1-CE3 4.43Å; I78-W80 HydrophobicContact CD1-CZ3 4.28Å; I78-W80 HydrophobicContact CG2-CD2 3.74Å; I78-W80 VanDerWaalsContact CG2-CE2 3.46Å; I78-W80 HydrophobicContact CG2-CE3 4.38Å; I78-W80 HydrophobicContact CG2-CG 3.95Å; I78-W80 HydrophobicContact CG2-CZ2 3.93Å
79G90.1Very high94.1Very high62 Ų6237.7 Ų37.764%0.63921%0.213SC*.  trans8319.4-179.100000113.8S74 I75S74-G79 PolarHBondContact O-N 3.31Å; I75-G79 WeakPolarHBondContact O-CA 3.25Å
80W92.3Very high94Very high90 Ų9035.7 Ų35.734%0.34119%0.192SC..  trans-78.1158.3175-69.6-8.8000112S74 I75 I78 D82 A84 L106S74-W80 PolarHBondContact O-N 3.32Å; I75-W80 WeakPolarHBondContact CA-O 3.32Å; I78-W80 HydrophobicContact CB-CD2 4.36Å; I78-W80 HydrophobicContact CB-CG 4.42Å; I78-W80 HydrophobicContact CD1-CE3 4.43Å; I78-W80 HydrophobicContact CD1-CZ3 4.28Å; I78-W80 HydrophobicContact CG2-CD2 3.74Å; I78-W80 VanDerWaalsContact CG2-CE2 3.46Å; I78-W80 HydrophobicContact CG2-CE3 4.38Å; I78-W80 HydrophobicContact CG2-CG 3.95Å; I78-W80 HydrophobicContact CG2-CZ2 3.93Å; W80-D82 VanDerWaalsContact C-N 3.29Å; W80-D82 PolarHBondContact O-N 3.4Å; W80-A84 HydrophobicContact CE3-CB 3.67Å; W80-A84 HydrophobicContact CH2-CB 3.91Å; W80-A84 HydrophobicContact CZ3-CB 3.25Å; W80-L106 HydrophobicContact CB-CD1 3.72Å; W80-L106 HydrophobicContact CD2-CB 4.29Å; W80-L106 HydrophobicContact CD2-CD1 4.23Å; W80-L106 HydrophobicContact CG-CD1 3.7Å
81C93.6Very high93.7Very high44 Ų4435.5 Ų35.530%0.29719%0.192SC..SBendtrans-72.3-21.3179.753.90000113.6A35 C36A35-C81 HydrophobicContact CB-CB 4.34Å; A35-C81 WeakPolarHBondContact CB-O 3.45Å; C36-C81 WeakPolarHBondContact CA-SG 3.36Å; C36-C81 HydrophobicContact CB-CB 4.02Å; C36-C81 WeakPolarHBondContact CB-SG 3.34Å; C36-C81 VanDerWaalsContact SG-C 3.54Å; C36-C81 WeakPolarHBondContact SG-CB 3.12Å; C36-C81 CovalentContact SG-SG 2.04Å; C36-C81 PolarHBondContact SG-SG 3.17Å
82D97.4Very high93.4Very high0 Ų037.1 Ų37.10%020%0.2CC..SBendtrans-167.6-165.4176-147.2-57.3000109.2R26 L34 C36 Q71 S74 W80 V99R26-D82 IonicContact CZ-OD2 3.37Å; R26-D82 IonicContact NH1-OD1 3.48Å; R26-D82 PolarHBondContact NH1-OD1 3Å; R26-D82 IonicContact NH1-OD2 3.27Å; R26-D82 PolarHBondContact NH1-OD2 3.21Å; R26-D82 IonicContact NH2-OD1 3.7Å; R26-D82 IonicContact NH2-OD2 2.67Å; R26-D82 PolarHBondContact NH2-OD2 3.14Å; L34-D82 HydrophobicContact CD1-CB 3.92Å; L34-D82 VanDerWaalsContact CD1-OD2 3.24Å; L34-D82 WeakPolarHBondContact CD1-OD2 3.24Å; C36-D82 VanDerWaalsContact SG-CB 3.57Å; Q71-D82 PolarHBondContact NE2-OD1 3.26Å; Q71-D82 PolarHBondContact NE2-OD2 3.42Å; S74-D82 WeakPolarHBondContact CB-O 3.31Å; W80-D82 VanDerWaalsContact C-N 3.29Å; W80-D82 PolarHBondContact O-N 3.4Å; D82-V99 HydrophobicContact CB-CG1 4.09Å
83V96.3Very high93.3Very high1 Ų136.5 Ų36.51%0.00620%0.199CC..  trans-55.2143.2162.2-61.60000110.6L67 L70 Q71 Y85 L88 V99L67-V83 HydrophobicContact CD1-CG1 4.1Å; L70-V83 HydrophobicContact CD2-CG1 4.29Å; L70-V83 HydrophobicContact CG-CG1 4.27Å; Q71-V83 HydrophobicContact CB-CG1 3.75Å; Q71-V83 HydrophobicContact CG-CG1 4.23Å; V83-Y85 VanDerWaalsContact C-N 3.32Å; V83-Y85 PolarHBondContact O-N 3.09Å; V83-L88 HydrophobicContact CG2-CD1 4.4Å; V83-V99 WeakPolarHBondContact O-CG1 3.43Å
84A95.2Very high93.5Very high1 Ų136.5 Ų36.51%0.00820%0.196CC..SBendtrans-70.6-23.6-174.500000115.1W80 G105 L106 H107W80-A84 HydrophobicContact CE3-CB 3.67Å; W80-A84 HydrophobicContact CH2-CB 3.91Å; W80-A84 HydrophobicContact CZ3-CB 3.25Å; A84-G105 CarbonylContact O-C 3.52Å; A84-G105 WeakPolarHBondContact O-CA 3.33Å; A84-L106 HydrophobicContact CB-CB 4.08Å; A84-L106 PolarHBondContact O-N 3.25Å; A84-H107 HydrophobicContact CB-CB 4.32Å; A84-H107 PolarHBondContact O-N 2.82Å
85Y97.5Very high93.8Very high20 Ų2036.4 Ų36.48%0.07820%0.195CC..  trans-100.4150.9-167.8-50.5-87.3000111.9D50 L52 V83 L88 G98 V99 H107 A119D50-Y85 HydrophobicContact CB-CE1 3.59Å; D50-Y85 PolarHBondContact OD2-OH 2.89Å; L52-Y85 HydrophobicContact CD1-CE2 4.43Å; L52-Y85 HydrophobicContact CD2-CE2 4.02Å; V83-Y85 VanDerWaalsContact C-N 3.32Å; V83-Y85 PolarHBondContact O-N 3.09Å; Y85-L88 HydrophobicContact CD2-CD2 4.4Å; Y85-G98 WeakPolarHBondContact O-CA 3.16Å; Y85-V99 PolarHBondContact O-N 2.73Å; Y85-H107 HydrophobicContact CD1-CB 3.47Å; Y85-H107 VanDerWaalsContact CD1-CB 3.47Å; Y85-H107 HydrophobicContact CE1-CB 3.58Å; Y85-H107 HydrophobicContact CG-CB 4.3Å; Y85-A119 HydrophobicContact CD1-CB 3.7Å; Y85-A119 HydrophobicContact CD2-CB 3.56Å; Y85-A119 HydrophobicContact CE1-CB 3.92Å; Y85-A119 HydrophobicContact CE2-CB 3.81Å; Y85-A119 HydrophobicContact CG-CB 3.52Å
86N98.2Very high94Very high0 Ų034.3 Ų34.30%018%0.184CC..SBendtrans-66.9-42.6173.7-64.284.7000110.7G98 V99 G100 I103 L116 G117N86-G98 CarbonylContact O-C 3.56Å; N86-G98 VanDerWaalsContact O-CA 3.23Å; N86-G98 WeakPolarHBondContact O-CA 3.4Å; N86-G98 PolarHBondContact O-N 2.93Å; N86-V99 HydrophobicContact CB-CG2 4.42Å; N86-V99 PolarHBondContact O-N 3.05Å; N86-G100 PolarHBondContact ND2-O 3.41Å; N86-G100 PolarHBondContact O-N 2.68Å; N86-I103 PolarHBondContact ND2-O 3.43Å; N86-L116 HydrophobicContact CB-CD2 4.02Å; N86-G117 WeakPolarHBondContact CB-O 3.27Å; N86-G117 PolarHBondContact N-O 3.07Å; N86-G117 PolarHBondContact OD1-N 3.14Å
87F98.4Very high94.4Very high1 Ų129.5 Ų29.50%0.00417%0.167CC..EExtended strand (participates in β ladder)trans-139.8153.1178.6-63.3-81.1000111.2V95 Y96 E97 W101 G117 I118 A119 L140F87-V95 HydrophobicContact CB-CG1 4.02Å; F87-V95 HydrophobicContact CD1-CG1 3.78Å; F87-V95 HydrophobicContact CG-CG1 4.22Å; F87-Y96 WeakPolarHBondContact CA-O 3.46Å; F87-E97 HydrophobicContact CE1-CG 4.27Å; F87-W101 HydrophobicContact CD2-CH2 4.38Å; F87-W101 HydrophobicContact CD2-CZ3 4.3Å; F87-W101 HydrophobicContact CE1-CZ2 4.14Å; F87-W101 AromaticContact CE2-CD2 3.59Å; F87-W101 HydrophobicContact CE2-CD2 3.59Å; F87-W101 AromaticContact CE2-CE2 3.77Å; F87-W101 AromaticContact CE2-CE3 3.46Å; F87-W101 HydrophobicContact CE2-CE3 3.46Å; F87-W101 VanDerWaalsContact CE2-CE3 3.46Å; F87-W101 HydrophobicContact CE2-CG 4.32Å; F87-W101 AromaticContact CE2-CH2 3.72Å; F87-W101 HydrophobicContact CE2-CH2 3.72Å; F87-W101 AromaticContact CE2-CZ2 3.84Å; F87-W101 HydrophobicContact CE2-CZ2 3.84Å; F87-W101 AromaticContact CE2-CZ3 3.52Å; F87-W101 HydrophobicContact CE2-CZ3 3.52Å; F87-W101 AromaticContact CZ-CD1 3.97Å; F87-W101 AromaticContact CZ-CD2 3.4Å; F87-W101 HydrophobicContact CZ-CD2 3.4Å; F87-W101 VanDerWaalsContact CZ-CD2 3.4Å; F87-W101 AromaticContact CZ-CE2 3.23Å; F87-W101 AromaticContact CZ-CE3 3.81Å; F87-W101 HydrophobicContact CZ-CE3 3.81Å; F87-W101 AromaticContact CZ-CG 3.88Å; F87-W101 HydrophobicContact CZ-CG 3.88Å; F87-W101 AromaticContact CZ-CH2 3.91Å; F87-W101 HydrophobicContact CZ-CH2 3.91Å; F87-W101 AromaticContact CZ-CZ2 3.51Å; F87-W101 HydrophobicContact CZ-CZ2 3.51Å; F87-W101 HydrophobicContact CZ-CZ3 4.04Å; F87-W101 AromaticContact CZ-NE1 3.6Å; F87-G117 PolarHBondContact N-O 2.95Å; F87-G117 VanDerWaalsContact N-O 3.07Å; F87-I118 WeakPolarHBondContact O-CA 3.02Å; F87-A119 PolarHBondContact O-N 3.12Å; F87-L140 HydrophobicContact CB-CD2 3.63Å; F87-L140 HydrophobicContact CD1-CD1 4.31Å; F87-L140 HydrophobicContact CD1-CD2 4.3Å; F87-L140 HydrophobicContact CD2-CD2 4.01Å; F87-L140 HydrophobicContact CE1-CD1 4.49Å; F87-L140 HydrophobicContact CG-CD1 4.39Å; F87-L140 HydrophobicContact CG-CD2 3.7Å
88L97.5Very high95Very high0 Ų024.9 Ų24.90%014%0.139CC..EExtended strand (participates in β ladder)trans-125.1153.6172-54.894.9000109.6L52 L67 L70 V83 Y85 V95 Y96 A119 F121L52-L88 HydrophobicContact CD1-CD2 3.68Å; L67-L88 HydrophobicContact CD1-CD1 3.79Å; L67-L88 HydrophobicContact CD1-CD2 3.85Å; L67-L88 HydrophobicContact CD1-CG 4.38Å; L67-L88 HydrophobicContact CD2-CD1 4.45Å; L70-L88 HydrophobicContact CD2-CD2 3.63Å; V83-L88 HydrophobicContact CG2-CD1 4.4Å; Y85-L88 HydrophobicContact CD2-CD2 4.4Å; L88-V95 CarbonylContact O-C 3.47Å; L88-V95 WeakPolarHBondContact O-CA 3.07Å; L88-Y96 PolarHBondContact N-O 2.9Å; L88-Y96 PolarHBondContact O-N 3Å; L88-A119 CarbonylContact C-O 3.48Å; L88-A119 WeakPolarHBondContact CA-O 3.49Å; L88-A119 HydrophobicContact CD2-CB 4.09Å; L88-A119 HydrophobicContact CG-CB 4.18Å; L88-F121 HydrophobicContact CB-CE1 4.07Å; L88-F121 HydrophobicContact CB-CZ 4.3Å; L88-F121 HydrophobicContact CD2-CE1 3.63Å; L88-F121 HydrophobicContact CD2-CZ 4.25Å
89V96.2Very high95.4Very high0 Ų021.4 Ų21.40%012%0.121CC..EExtended strand (participates in β ladder)trans-128.9120.2-177.6-168.40000109.4R94 V95 I118 A119 F120 F121 A133 A136 A137V89-R94 WeakPolarHBondContact CA-O 3.41Å; V89-V95 HydrophobicContact CG2-CG2 4.5Å; V89-I118 HydrophobicContact CG2-CG2 3.81Å; V89-A119 PolarHBondContact N-O 2.96Å; V89-F120 HydrophobicContact CB-CD1 3.86Å; V89-F120 HydrophobicContact CB-CE1 4.04Å; V89-F120 HydrophobicContact CG1-CD1 4.3Å; V89-F120 HydrophobicContact CG1-CE1 4.27Å; V89-F120 HydrophobicContact CG2-CD1 4.4Å; V89-F120 HydrophobicContact CG2-CE1 4.19Å; V89-F121 PolarHBondContact O-N 3.07Å; V89-A133 HydrophobicContact CG1-CB 3.77Å; V89-A133 WeakPolarHBondContact CG1-O 3.48Å; V89-A136 HydrophobicContact CG1-CB 3.95Å; V89-A137 HydrophobicContact CG2-CB 4.31Å
90G93.1Very high95.7Very high0 Ų018.6 Ų18.60%09%0.092CC..  trans-83.3157.9179.500000112.7D92 G93 R94 A133G90-D92 WeakPolarHBondContact CA-OD1 3.49Å; G90-D92 PolarHBondContact O-N 2.97Å; G90-G93 PolarHBondContact O-N 2.85Å; G90-R94 PolarHBondContact N-O 3.09Å; G90-A133 WeakPolarHBondContact O-CB 3.5Å
91D89.3Confident95.9Very high25 Ų2516.2 Ų16.213%0.1348%0.083CC..THydrogen-bonded Turntrans-66-15.9173.6-56.1-71.7000112Q56 C57 G93 S130Q56-D91 WeakPolarHBondContact CA-OD2 3.34Å; Q56-D91 WeakPolarHBondContact CG-OD2 3.49Å; C57-D91 PolarHBondContact N-OD2 3.3Å; C57-D91 VanDerWaalsContact O-CB 3.29Å; C57-D91 WeakPolarHBondContact O-CB 3.41Å; C57-D91 PolarHBondContact O-N 3.46Å; D91-G93 PolarHBondContact O-N 3.29Å; D91-S130 PolarHBondContact O-OG 3.46Å
92D91.4Very high96.1Very high36 Ų3618.4 Ų18.419%0.1939%0.092CC..THydrogen-bonded Turntrans-70.8-1.7171.174.4-23.1000114.2C57 G90 R94 Y96C57-D92 PolarHBondContact O-N 3.38Å; G90-D92 WeakPolarHBondContact CA-OD1 3.49Å; G90-D92 PolarHBondContact O-N 2.97Å; D92-R94 VanDerWaalsContact C-N 3.34Å; D92-R94 PolarHBondContact OD1-N 3.01Å; D92-R94 VanDerWaalsContact OD1-N 3.14Å; D92-R94 WeakPolarHBondContact OD2-CD 3.48Å; D92-R94 IonicContact OD2-NE 3.98Å; D92-Y96 PolarHBondContact OD2-OH 2.74Å
93G92.1Very high96Very high22 Ų2219.6 Ų19.623%0.22710%0.098CC..SBendtrans7619177.800000114.2G90 D91 A136G90-G93 PolarHBondContact O-N 2.85Å; D91-G93 PolarHBondContact O-N 3.29Å; G93-A136 VanDerWaalsContact O-CB 3.24Å; G93-A136 WeakPolarHBondContact O-CB 3.33Å
94R95.6Very high96Very high90 Ų9022 Ų2234%0.3411%0.109SC..  trans-105150.1175.1-63.3180-176-93.6-5.8111.3T22 V24 V89 G90 D92 Y96T22-R94 VanDerWaalsContact CG2-NH1 3.25Å; V24-R94 HydrophobicContact CG2-CB 4.18Å; V89-R94 WeakPolarHBondContact CA-O 3.41Å; G90-R94 PolarHBondContact N-O 3.09Å; D92-R94 VanDerWaalsContact C-N 3.34Å; D92-R94 PolarHBondContact OD1-N 3.01Å; D92-R94 VanDerWaalsContact OD1-N 3.14Å; D92-R94 WeakPolarHBondContact OD2-CD 3.48Å; D92-R94 IonicContact OD2-NE 3.98Å; R94-Y96 HydrophobicContact CB-CE2 3.81Å
95V97.8Very high95.8Very high0 Ų022 Ų220%011%0.109CC..EExtended strand (participates in β ladder)trans-94.6134.3170.1179.60000108.3P21 T22 V23 V24 F87 L88 V89 A136 L140P21-V95 HydrophobicContact CB-CG2 4.23Å; T22-V95 PolarHBondContact O-N 2.79Å; T22-V95 VanDerWaalsContact O-N 3.08Å; V23-V95 CarbonylContact C-O 3.56Å; V23-V95 VanDerWaalsContact CA-O 3.3Å; V23-V95 WeakPolarHBondContact CA-O 3.47Å; V23-V95 HydrophobicContact CG2-CB 4.21Å; V23-V95 HydrophobicContact CG2-CG1 4.33Å; V24-V95 PolarHBondContact N-O 3.03Å; F87-V95 HydrophobicContact CB-CG1 4.02Å; F87-V95 HydrophobicContact CD1-CG1 3.78Å; F87-V95 HydrophobicContact CG-CG1 4.22Å; L88-V95 CarbonylContact O-C 3.47Å; L88-V95 WeakPolarHBondContact O-CA 3.07Å; V89-V95 HydrophobicContact CG2-CG2 4.5Å; V95-A136 HydrophobicContact CG2-CB 4.12Å; V95-L140 HydrophobicContact CG1-CD1 3.97Å; V95-L140 HydrophobicContact CG1-CD2 3.75Å; V95-L140 HydrophobicContact CG1-CG 4.38Å; V95-L140 HydrophobicContact CG2-CB 4.18Å; V95-L140 HydrophobicContact CG2-CD2 4.35Å
96Y98.2Very high95.5Very high0 Ų023.6 Ų23.60%012%0.119CC..EExtended strand (participates in β ladder)trans-111128.2177.2-64-95.3000109.4V24 W29 Q60 C63 N64 L67 F87 L88 D92 R94 G98V24-Y96 HydrophobicContact CB-CD1 3.72Å; V24-Y96 HydrophobicContact CB-CE1 3.88Å; V24-Y96 HydrophobicContact CB-CG 4.4Å; V24-Y96 HydrophobicContact CG1-CD1 3.94Å; V24-Y96 HydrophobicContact CG1-CE1 3.97Å; V24-Y96 HydrophobicContact CG2-CD1 4.14Å; V24-Y96 HydrophobicContact CG2-CE1 3.83Å; W29-Y96 HydrophobicContact CB-CD1 4.3Å; Q60-Y96 WeakPolarHBondContact CA-OH 3.42Å; Q60-Y96 HydrophobicContact CG-CE1 4.42Å; C63-Y96 HydrophobicContact CB-CE1 3.95Å; C63-Y96 HydrophobicContact CB-CE2 3.95Å; C63-Y96 VanDerWaalsContact CB-CZ 3.41Å; C63-Y96 WeakPolarHBondContact CB-OH 3.38Å; N64-Y96 VanDerWaalsContact OD1-CE1 3.31Å; N64-Y96 WeakPolarHBondContact OD1-CE1 3.39Å; L67-Y96 HydrophobicContact CD2-CD1 4.11Å; L67-Y96 HydrophobicContact CD2-CG 4.13Å; F87-Y96 WeakPolarHBondContact CA-O 3.46Å; L88-Y96 PolarHBondContact N-O 2.9Å; L88-Y96 PolarHBondContact O-N 3Å; D92-Y96 PolarHBondContact OD2-OH 2.74Å; R94-Y96 HydrophobicContact CB-CE2 3.81Å; Y96-G98 PolarHBondContact O-N 2.84Å
97E98.2Very high94.9Very high53 Ų5324.4 Ų24.425%0.24812%0.123CC..EExtended strand (participates in β ladder)trans-70.5115.9178.9-172.6-175.4-163.700110.6V23 V24 S25 R26 W29 F87V23-E97 HydrophobicContact CG1-CB 4.28Å; V24-E97 PolarHBondContact O-N 3.02Å; S25-E97 WeakPolarHBondContact CA-OE2 3.41Å; R26-E97 HydrophobicContact CG-CB 4.14Å; R26-E97 HydrophobicContact CG-CG 3.92Å; R26-E97 PolarHBondContact N-OE2 3.39Å; W29-E97 PolarHBondContact NE1-O 3.08Å; F87-E97 HydrophobicContact CE1-CG 4.27Å
98G97.9Very high94.2Very high0 Ų026.1 Ų26.10%013%0.133CC..SBendtrans-85.5-117.7171.600000110.4R26 Y85 N86 Y96 G100R26-G98 WeakPolarHBondContact CD-O 3.34Å; R26-G98 PolarHBondContact NH1-O 2.99Å; Y85-G98 WeakPolarHBondContact O-CA 3.16Å; N86-G98 CarbonylContact O-C 3.56Å; N86-G98 VanDerWaalsContact O-CA 3.23Å; N86-G98 WeakPolarHBondContact O-CA 3.4Å; N86-G98 PolarHBondContact O-N 2.93Å; Y96-G98 PolarHBondContact O-N 2.84Å; G98-G100 PolarHBondContact O-N 2.78Å
99V97.4Very high93.3Very high5 Ų534.7 Ų34.73%0.0317%0.173CC..SBendtrans-75.6-10.4172.9-580000113.5L34 D82 V83 Y85 N86 I103L34-V99 HydrophobicContact CD1-CB 4.24Å; L34-V99 HydrophobicContact CD1-CG1 3.94Å; D82-V99 HydrophobicContact CB-CG1 4.09Å; V83-V99 WeakPolarHBondContact O-CG1 3.43Å; Y85-V99 PolarHBondContact O-N 2.73Å; N86-V99 HydrophobicContact CB-CG2 4.42Å; N86-V99 PolarHBondContact O-N 3.05Å; V99-I103 HydrophobicContact CB-CB 4.09Å; V99-I103 HydrophobicContact CB-CG2 3.89Å; V99-I103 HydrophobicContact CG2-CB 4.29Å; V99-I103 HydrophobicContact CG2-CG2 4.24Å; V99-I103 WeakPolarHBondContact CG2-O 3.36Å; V99-I103 WeakPolarHBondContact O-CB 3.46Å
100G96.6Very high92.4Very high3 Ų337.6 Ų37.63%0.03120%0.203CC..  trans83.3-168.7173.600000114.4N86 G98N86-G100 PolarHBondContact ND2-O 3.41Å; N86-G100 PolarHBondContact O-N 2.68Å; G98-G100 PolarHBondContact O-N 2.78Å
101W97Very high92Very high39 Ų3940.6 Ų40.615%0.14822%0.215CC..SBendtrans-73.9-30.2-168.2-63.3112.3000115.8F87 L116 L140 Y143 A144 H149F87-W101 HydrophobicContact CD2-CH2 4.38Å; F87-W101 HydrophobicContact CD2-CZ3 4.3Å; F87-W101 HydrophobicContact CE1-CZ2 4.14Å; F87-W101 AromaticContact CE2-CD2 3.59Å; F87-W101 HydrophobicContact CE2-CD2 3.59Å; F87-W101 AromaticContact CE2-CE2 3.77Å; F87-W101 AromaticContact CE2-CE3 3.46Å; F87-W101 HydrophobicContact CE2-CE3 3.46Å; F87-W101 VanDerWaalsContact CE2-CE3 3.46Å; F87-W101 HydrophobicContact CE2-CG 4.32Å; F87-W101 AromaticContact CE2-CH2 3.72Å; F87-W101 HydrophobicContact CE2-CH2 3.72Å; F87-W101 AromaticContact CE2-CZ2 3.84Å; F87-W101 HydrophobicContact CE2-CZ2 3.84Å; F87-W101 AromaticContact CE2-CZ3 3.52Å; F87-W101 HydrophobicContact CE2-CZ3 3.52Å; F87-W101 AromaticContact CZ-CD1 3.97Å; F87-W101 AromaticContact CZ-CD2 3.4Å; F87-W101 HydrophobicContact CZ-CD2 3.4Å; F87-W101 VanDerWaalsContact CZ-CD2 3.4Å; F87-W101 AromaticContact CZ-CE2 3.23Å; F87-W101 AromaticContact CZ-CE3 3.81Å; F87-W101 HydrophobicContact CZ-CE3 3.81Å; F87-W101 AromaticContact CZ-CG 3.88Å; F87-W101 HydrophobicContact CZ-CG 3.88Å; F87-W101 AromaticContact CZ-CH2 3.91Å; F87-W101 HydrophobicContact CZ-CH2 3.91Å; F87-W101 AromaticContact CZ-CZ2 3.51Å; F87-W101 HydrophobicContact CZ-CZ2 3.51Å; F87-W101 HydrophobicContact CZ-CZ3 4.04Å; F87-W101 AromaticContact CZ-NE1 3.6Å; W101-L116 HydrophobicContact CE3-CD1 4Å; W101-L116 HydrophobicContact CE3-CD2 4.36Å; W101-L116 HydrophobicContact CZ3-CD1 3.65Å; W101-L140 HydrophobicContact CH2-CD1 3.44Å; W101-L140 VanDerWaalsContact CH2-CD1 3.44Å; W101-L140 HydrophobicContact CH2-CG 3.96Å; W101-L140 HydrophobicContact CZ2-CD1 3.57Å; W101-Y143 HydrophobicContact CH2-CD1 4.13Å; W101-Y143 AromaticContact CZ2-CD1 3.67Å; W101-Y143 HydrophobicContact CZ2-CD1 3.67Å; W101-Y143 AromaticContact CZ2-CE1 3.93Å; W101-Y143 HydrophobicContact CZ2-CE1 3.93Å; W101-A144 HydrophobicContact CH2-CB 3.75Å; W101-A144 HydrophobicContact CZ3-CB 3.47Å; W101-A144 VanDerWaalsContact CZ3-CB 3.47Å; W101-H149 HydrophobicContact CD2-CB 4.43Å; W101-H149 AromaticContact CD2-CD2 3.61Å; W101-H149 AromaticContact CD2-CG 3.92Å; W101-H149 AromaticContact CD2-NE2 3.99Å; W101-H149 HydrophobicContact CE3-CB 3.69Å; W101-H149 AromaticContact CE3-CD2 3.7Å; W101-H149 AromaticContact CE3-CG 3.68Å; W101-H149 AromaticContact CG-CD2 3.91Å; W101-H149 AromaticContact CG-CE1 3.96Å; W101-H149 AromaticContact CG-NE2 3.8Å; W101-H149 HydrophobicContact CZ3-CB 4.13Å
102N96.2Very high91.8Very high91 Ų9140.6 Ų40.649%0.48722%0.215SC..SBendtrans-105.1-9.5-167.3-60.1-44.7000113.2L39 L40 L42L39-N102 CarbonylContact C-O 3.39Å; L39-N102 VanDerWaalsContact CA-O 3.32Å; L39-N102 WeakPolarHBondContact CA-O 3.49Å; L39-N102 WeakPolarHBondContact CD2-O 3.43Å; L40-N102 PolarHBondContact N-O 2.76Å; L42-N102 WeakPolarHBondContact CD1-OD1 3.3Å
103I97Very high91.7Very high25 Ų2542.9 Ų42.913%0.12823%0.227CC..BIsolated β-bridgetrans-107.6133.8-172.2-59-74.6000108.6L34 C36 A38 L39 N86 V99 G105L34-I103 HydrophobicContact CD2-CG1 4.03Å; C36-I103 HydrophobicContact CB-CG2 3.67Å; A38-I103 WeakPolarHBondContact O-CA 3.32Å; L39-I103 HydrophobicContact CD2-CD1 3.85Å; N86-I103 PolarHBondContact ND2-O 3.43Å; V99-I103 HydrophobicContact CB-CB 4.09Å; V99-I103 HydrophobicContact CB-CG2 3.89Å; V99-I103 HydrophobicContact CG2-CB 4.29Å; V99-I103 HydrophobicContact CG2-CG2 4.24Å; V99-I103 WeakPolarHBondContact CG2-O 3.36Å; V99-I103 WeakPolarHBondContact O-CB 3.46Å; I103-G105 PolarHBondContact O-N 2.69Å
104Q94.3Very high91.6Very high50 Ų5044.9 Ų44.923%0.23423%0.232CC..  trans-66.5130.4175.6156.6174.1-18.300110A38 L40 N112 N113A38-Q104 HydrophobicContact CB-CB 3.92Å; A38-Q104 HydrophobicContact CB-CG 4.28Å; A38-Q104 PolarHBondContact O-N 2.63Å; L40-Q104 HydrophobicContact CD2-CB 4.06Å; L40-Q104 HydrophobicContact CG-CB 4.37Å; Q104-N112 HydrophobicContact CG-CB 3.95Å; Q104-N112 WeakPolarHBondContact CG-O 3.24Å; Q104-N113 VanDerWaalsContact OE1-CB 3.28Å
105G91.5Very high91.5Very high1 Ų140.6 Ų40.61%0.0122%0.215CC..  trans-75.8-180171.800000113.7A84 I103 N112A84-G105 CarbonylContact O-C 3.52Å; A84-G105 WeakPolarHBondContact O-CA 3.33Å; I103-G105 PolarHBondContact O-N 2.69Å; G105-N112 WeakPolarHBondContact O-CB 3.48Å; G105-N112 VanDerWaalsContact O-CG 3.3Å
106L91.4Very high91.5Very high55 Ų5540.7 Ų40.729%0.28822%0.216SC..SBendtrans-123.324175.2-65.6171.5000111.4W80 A84W80-L106 HydrophobicContact CB-CD1 3.72Å; W80-L106 HydrophobicContact CD2-CB 4.29Å; W80-L106 HydrophobicContact CD2-CD1 4.23Å; W80-L106 HydrophobicContact CG-CD1 3.7Å; A84-L106 HydrophobicContact CB-CB 4.08Å; A84-L106 PolarHBondContact O-N 3.25Å
107H85.8Confident91.4Very high17 Ų1740.7 Ų40.78%0.07922%0.216CC..SBendtrans-81.1-31.5-168.756.1-66000114.5A84 Y85 N112 S115 G117A84-H107 HydrophobicContact CB-CB 4.32Å; A84-H107 PolarHBondContact O-N 2.82Å; Y85-H107 HydrophobicContact CD1-CB 3.47Å; Y85-H107 VanDerWaalsContact CD1-CB 3.47Å; Y85-H107 HydrophobicContact CE1-CB 3.58Å; Y85-H107 HydrophobicContact CG-CB 4.3Å; H107-N112 PolarHBondContact N-OD1 3.12Å; H107-N112 PolarHBondContact ND1-OD1 3.41Å; H107-S115 PolarHBondContact CE1-OG 2.78Å; H107-S115 PolarHBondContact NE2-OG 2.92Å; H107-G117 VanDerWaalsContact CD2-CA 3.44Å; H107-G117 WeakPolarHBondContact CD2-CA 3.42Å
108T82.7Confident91.3Very high36 Ų3638.3 Ų38.322%0.22121%0.205CC..SBendtrans-152.4124.3174.4-46.80000114.2I48 G110 Y111 N112 L159I48-T108 WeakPolarHBondContact CG2-OG1 3.14Å; T108-G110 PolarHBondContact O-N 2.02Å; T108-Y111 HydrophobicContact CG2-CD2 4.33Å; T108-Y111 PolarHBondContact O-N 3.34Å; T108-N112 PolarHBondContact N-OD1 3.45Å; T108-N112 PolarHBondContact O-N 2.84Å; T108-N112 VanDerWaalsContact O-N 3.08Å; T108-N112 PolarHBondContact O-OD1 3.45Å; T108-L159 HydrophobicContact CG2-CB 4.46Å; T108-L159 HydrophobicContact CG2-CD1 3.35Å; T108-L159 HydrophobicContact CG2-CG 4.44Å
109Q79.1Confident91.1Very high181 Ų18138.3 Ų38.385%0.84621%0.205SC*.THydrogen-bonded Turntrans-55.7132.8176.4-171.8174.5-1.600111.1Y111Q109-Y111 VanDerWaalsContact C-N 3.26Å; Q109-Y111 PolarHBondContact O-N 2.62Å
110G77.2Confident91Very high60 Ų6038.8 Ų38.862%0.61921%0.207SC*.THydrogen-bonded Turntrans83.8-14-176.600000115.3T108T108-G110 PolarHBondContact O-N 2.02Å
111Y84.7Confident90.7Very high64 Ų6438.7 Ų38.725%0.25121%0.205SC..THydrogen-bonded Turntrans-118.6-14.4-179.5-70.7-90.7000114.1Y46 I48 T108 Q109 N113 I114 S115 P157 L159Y46-Y111 HydrophobicContact CD1-CD1 4.37Å; Y46-Y111 HydrophobicContact CD1-CE1 4.1Å; Y46-Y111 HydrophobicContact CE1-CE1 4.22Å; Y46-Y111 HydrophobicContact CG-CD1 4.27Å; Y46-Y111 HydrophobicContact CG-CE1 4.43Å; I48-Y111 HydrophobicContact CD1-CD1 4.11Å; I48-Y111 HydrophobicContact CD1-CG 4.19Å; T108-Y111 HydrophobicContact CG2-CD2 4.33Å; T108-Y111 PolarHBondContact O-N 3.34Å; Q109-Y111 VanDerWaalsContact C-N 3.26Å; Q109-Y111 PolarHBondContact O-N 2.62Å; Y111-N113 VanDerWaalsContact C-N 3.27Å; Y111-N113 PolarHBondContact O-N 3.13Å; Y111-N113 VanDerWaalsContact O-N 3.1Å; Y111-I114 HydrophobicContact CD1-CD1 4.24Å; Y111-I114 HydrophobicContact CD1-CG1 4.48Å; Y111-I114 WeakPolarHBondContact O-CG1 3.47Å; Y111-I114 PolarHBondContact O-N 3.45Å; Y111-S115 WeakPolarHBondContact O-CB 3.38Å; Y111-S115 PolarHBondContact O-N 3.31Å; Y111-S115 VanDerWaalsContact O-N 3.09Å; Y111-S115 PolarHBondContact O-OG 3.08Å; Y111-P157 HydrophobicContact CD1-CG 4.16Å; Y111-P157 HydrophobicContact CE1-CB 4.27Å; Y111-P157 HydrophobicContact CE1-CG 3.77Å; Y111-L159 HydrophobicContact CD2-CD1 3.56Å; Y111-L159 HydrophobicContact CD2-CD2 4.01Å; Y111-L159 HydrophobicContact CD2-CG 4.49Å; Y111-L159 HydrophobicContact CE2-CD1 3.88Å; Y111-L159 HydrophobicContact CE2-CD2 3.43Å; Y111-L159 VanDerWaalsContact CE2-CD2 3.43Å; Y111-L159 HydrophobicContact CE2-CG 4.35Å; Y111-L159 HydrophobicContact CG-CD1 3.91Å
112N86.1Confident89.9Confident25 Ų2537.1 Ų37.113%0.13420%0.202CC..THydrogen-bonded Turntrans-48.7-41.3-174.8-73.3-23.4000114.8L40 Q104 G105 H107 T108L40-N112 WeakPolarHBondContact CD2-O 3.24Å; Q104-N112 HydrophobicContact CG-CB 3.95Å; Q104-N112 WeakPolarHBondContact CG-O 3.24Å; G105-N112 WeakPolarHBondContact O-CB 3.48Å; G105-N112 VanDerWaalsContact O-CG 3.3Å; H107-N112 PolarHBondContact N-OD1 3.12Å; H107-N112 PolarHBondContact ND1-OD1 3.41Å; T108-N112 PolarHBondContact N-OD1 3.45Å; T108-N112 PolarHBondContact O-N 2.84Å; T108-N112 VanDerWaalsContact O-N 3.08Å; T108-N112 PolarHBondContact O-OD1 3.45Å
113N88.4Confident88.8Confident83 Ų8334.9 Ų34.944%0.44419%0.193SC..THydrogen-bonded Turntrans-87.2-10.2-175.465.2-22.2000114.8L40 Q104 Y111L40-N113 WeakPolarHBondContact CD2-O 2.86Å; Q104-N113 VanDerWaalsContact OE1-CB 3.28Å; Y111-N113 VanDerWaalsContact C-N 3.27Å; Y111-N113 PolarHBondContact O-N 3.13Å; Y111-N113 VanDerWaalsContact O-N 3.1Å
114I89.4Confident87.4Confident64 Ų6441 Ų4133%0.32822%0.219SC..THydrogen-bonded Turntrans-125.810.8-173.158.6172.5000112.7V44 A45 Y46 Y111V44-I114 WeakPolarHBondContact CB-O 2.97Å; A45-I114 PolarHBondContact N-O 3.48Å; Y46-I114 HydrophobicContact CD2-CB 4.28Å; Y46-I114 HydrophobicContact CD2-CD1 3.85Å; Y46-I114 HydrophobicContact CD2-CG1 4.04Å; Y46-I114 WeakPolarHBondContact CD2-O 3.38Å; Y46-I114 HydrophobicContact CE2-CD1 3.77Å; Y46-I114 HydrophobicContact CE2-CG1 4.43Å; Y46-I114 PolarHBondContact N-O 3.33Å; Y111-I114 HydrophobicContact CD1-CD1 4.24Å; Y111-I114 HydrophobicContact CD1-CG1 4.48Å; Y111-I114 WeakPolarHBondContact O-CG1 3.47Å; Y111-I114 PolarHBondContact O-N 3.45Å
115S94.1Very high85.9Confident0 Ų045.4 Ų45.40%024%0.242CC..EExtended strand (participates in β ladder)trans-142156.2-176.169.20000113.2Y46 H107 Y111Y46-S115 CarbonylContact O-C 3.51Å; Y46-S115 WeakPolarHBondContact O-CA 3.4Å; Y46-S115 WeakPolarHBondContact O-CB 3.41Å; H107-S115 PolarHBondContact CE1-OG 2.78Å; H107-S115 PolarHBondContact NE2-OG 2.92Å; Y111-S115 WeakPolarHBondContact O-CB 3.38Å; Y111-S115 PolarHBondContact O-N 3.31Å; Y111-S115 VanDerWaalsContact O-N 3.09Å; Y111-S115 PolarHBondContact O-OG 3.08Å
116L97.4Very high84.2Confident3 Ų347.5 Ų47.52%0.01626%0.264CS..EExtended strand (participates in β ladder)trans-92.7127.4161-68.9175000109.1L40 V44 Y46 I48 N86 W101 A144L40-L116 HydrophobicContact CD1-CD2 3.89Å; V44-L116 HydrophobicContact CG2-CB 4.47Å; V44-L116 HydrophobicContact CG2-CD1 4.28Å; V44-L116 HydrophobicContact CG2-CG 3.7Å; Y46-L116 PolarHBondContact O-N 2.88Å; I48-L116 PolarHBondContact N-O 2.6Å; N86-L116 HydrophobicContact CB-CD2 4.02Å; W101-L116 HydrophobicContact CE3-CD1 4Å; W101-L116 HydrophobicContact CE3-CD2 4.36Å; W101-L116 HydrophobicContact CZ3-CD1 3.65Å; L116-A144 HydrophobicContact CD1-CB 4.24Å
117G96.5Very high83.1Confident0 Ų046.4 Ų46.40%026%0.261CS..EExtended strand (participates in β ladder)trans-87.9124.7169.900000111.7I48 N86 F87 H107I48-G117 CarbonylContact O-C 3.6Å; I48-G117 WeakPolarHBondContact O-CA 3.04Å; N86-G117 WeakPolarHBondContact CB-O 3.27Å; N86-G117 PolarHBondContact N-O 3.07Å; N86-G117 PolarHBondContact OD1-N 3.14Å; F87-G117 PolarHBondContact N-O 2.95Å; F87-G117 VanDerWaalsContact N-O 3.07Å; H107-G117 VanDerWaalsContact CD2-CA 3.44Å; H107-G117 WeakPolarHBondContact CD2-CA 3.42Å
118I96.4Very high82.5Confident3 Ų348.7 Ų48.72%0.01528%0.279CS..EExtended strand (participates in β ladder)trans-121.3115.2175.5-56.9175.3000109I47 I48 T49 D50 F87 V89 F120 L140 I141I47-I118 HydrophobicContact CD1-CD1 4.29Å; I47-I118 HydrophobicContact CG2-CD1 4.28Å; I48-I118 PolarHBondContact O-N 3.27Å; T49-I118 CarbonylContact C-O 3.6Å; T49-I118 VanDerWaalsContact CA-O 3.24Å; T49-I118 WeakPolarHBondContact CA-O 3.12Å; T49-I118 HydrophobicContact CG2-CB 4.48Å; D50-I118 PolarHBondContact N-O 3.15Å; F87-I118 WeakPolarHBondContact O-CA 3.02Å; V89-I118 HydrophobicContact CG2-CG2 3.81Å; I118-F120 HydrophobicContact CG2-CE2 4.18Å; I118-F120 HydrophobicContact CG2-CZ 4.4Å; I118-L140 HydrophobicContact CD1-CD2 4.16Å; I118-L140 HydrophobicContact CG1-CD2 4.45Å; I118-I141 HydrophobicContact CD1-CD1 4.39Å; I118-I141 HydrophobicContact CD1-CG1 4.05Å
119A94.7Very high82.7Confident0 Ų047.8 Ų47.80%027%0.273CS..EExtended strand (participates in β ladder)trans-104.3132.7177.800000112.3D50 L52 Y85 F87 L88 V89D50-A119 CarbonylContact O-C 3.58Å; D50-A119 WeakPolarHBondContact O-CA 3.48Å; L52-A119 HydrophobicContact CD1-CB 3.76Å; L52-A119 HydrophobicContact CG-CB 3.99Å; Y85-A119 HydrophobicContact CD1-CB 3.7Å; Y85-A119 HydrophobicContact CD2-CB 3.56Å; Y85-A119 HydrophobicContact CE1-CB 3.92Å; Y85-A119 HydrophobicContact CE2-CB 3.81Å; Y85-A119 HydrophobicContact CG-CB 3.52Å; F87-A119 PolarHBondContact O-N 3.12Å; L88-A119 CarbonylContact C-O 3.48Å; L88-A119 WeakPolarHBondContact CA-O 3.49Å; L88-A119 HydrophobicContact CD2-CB 4.09Å; L88-A119 HydrophobicContact CG-CB 4.18Å; V89-A119 PolarHBondContact N-O 2.96Å
120F93.4Very high83Confident14 Ų1440.5 Ų40.56%0.06124%0.242CC..EExtended strand (participates in β ladder)trans-96.2132174.2-66.8-91.9000110.4T49 D50 L52 V89 I118 P129 A133 L134 A137T49-F120 HydrophobicContact CG2-CE2 3.99Å; D50-F120 PolarHBondContact O-N 3.26Å; L52-F120 PolarHBondContact N-O 3.18Å; V89-F120 HydrophobicContact CB-CD1 3.86Å; V89-F120 HydrophobicContact CB-CE1 4.04Å; V89-F120 HydrophobicContact CG1-CD1 4.3Å; V89-F120 HydrophobicContact CG1-CE1 4.27Å; V89-F120 HydrophobicContact CG2-CD1 4.4Å; V89-F120 HydrophobicContact CG2-CE1 4.19Å; I118-F120 HydrophobicContact CG2-CE2 4.18Å; I118-F120 HydrophobicContact CG2-CZ 4.4Å; F120-P129 HydrophobicContact CB-CB 4.27Å; F120-P129 HydrophobicContact CB-CG 3.98Å; F120-P129 HydrophobicContact CD1-CB 3.59Å; F120-P129 HydrophobicContact CD1-CG 3.71Å; F120-P129 HydrophobicContact CD2-CG 4.23Å; F120-P129 HydrophobicContact CE1-CB 4.14Å; F120-P129 HydrophobicContact CE1-CG 4.22Å; F120-P129 HydrophobicContact CG-CB 4.04Å; F120-P129 HydrophobicContact CG-CG 3.7Å; F120-A133 HydrophobicContact CD1-CB 4.08Å; F120-A133 HydrophobicContact CE1-CB 4.36Å; F120-L134 HydrophobicContact CE1-CD2 4.43Å; F120-A137 HydrophobicContact CE1-CB 3.73Å; F120-A137 HydrophobicContact CZ-CB 3.53Å
121F91.6Very high83.5Confident1 Ų141.6 Ų41.60%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-67.1142.8165.5-69.7-7.3000110L52 M55 C57 C63 L67 L88 V89L52-F121 HydrophobicContact CB-CD1 4.46Å; L52-F121 HydrophobicContact CD1-CD1 4.02Å; L52-F121 HydrophobicContact CD1-CE1 3.97Å; M55-F121 HydrophobicContact CB-CB 4.38Å; M55-F121 HydrophobicContact CB-CD1 3.98Å; M55-F121 HydrophobicContact CB-CG 4.18Å; M55-F121 HydrophobicContact CE-CD1 4.35Å; M55-F121 HydrophobicContact CE-CE1 3.79Å; M55-F121 HydrophobicContact CE-CZ 4.05Å; M55-F121 VanDerWaalsContact O-CB 3.28Å; M55-F121 WeakPolarHBondContact O-CB 3.31Å; M55-F121 WeakPolarHBondContact O-CG 3.28Å; M55-F121 HydrophobicContact SD-CD1 4.4Å; M55-F121 HydrophobicContact SD-CE1 4.21Å; C57-F121 WeakPolarHBondContact SG-CD2 3.48Å; C63-F121 HydrophobicContact CB-CE2 4.15Å; L67-F121 HydrophobicContact CB-CZ 4.27Å; L67-F121 HydrophobicContact CD1-CZ 4.46Å; L88-F121 HydrophobicContact CB-CE1 4.07Å; L88-F121 HydrophobicContact CB-CZ 4.3Å; L88-F121 HydrophobicContact CD2-CE1 3.63Å; L88-F121 HydrophobicContact CD2-CZ 4.25Å; V89-F121 PolarHBondContact O-N 3.07Å
122G80.5Confident83.6Confident7 Ų740.8 Ų40.87%0.07225%0.245CC..EExtended strand (participates in β ladder)trans-158164.8-175.400000114.4L52 P53 G54 M55 Q56L52-G122 PolarHBondContact O-N 3.46Å; L52-G122 VanDerWaalsContact O-N 3.12Å; P53-G122 CarbonylContact C-O 3.53Å; G54-G122 PolarHBondContact N-O 3.32Å; M55-G122 PolarHBondContact N-O 3.35Å; M55-G122 VanDerWaalsContact N-O 3.13Å; Q56-G122 PolarHBondContact N-O 3.49Å
123S72.5Confident83.9Confident43 Ų4339.7 Ų39.730%0.30124%0.24SC..SBendtrans-80.3-50.9178.545.80000112.9G54 Q56 S127G54-S123 PolarHBondContact N-O 3.01Å; Q56-S123 VanDerWaalsContact CD-CB 3.4Å; Q56-S123 VanDerWaalsContact NE2-CB 3.34Å; S123-S127 PolarHBondContact OG-OG 3.01Å
124K68.4Low84Confident155 Ų15537.3 Ų37.367%0.67423%0.227SC*.SBendtrans-141.5154.1-168.7-63.9-177.1-177-179.20109.6G126 S127K124-G126 PolarHBondContact O-N 3.29Å; K124-S127 PolarHBondContact O-N 2.89Å; K124-S127 PolarHBondContact O-OG 3.4Å
125I62.1Low84Confident141 Ų14137.9 Ų37.972%0.72324%0.236SC*.THydrogen-bonded Turntrans-56.8128.5172.4-64.3166.3000108.4P53 S127P53-I125 HydrophobicContact CB-CG1 3.91Å; P53-I125 HydrophobicContact CG-CB 4.37Å; P53-I125 HydrophobicContact CG-CD1 4.42Å; P53-I125 HydrophobicContact CG-CG1 3.37Å; I125-S127 PolarHBondContact O-N 3.04Å
126G56.3Low84Confident45 Ų4538.4 Ų38.446%0.46424%0.241SC..THydrogen-bonded Turntrans83.20.1176.700000115.8M1 K124M1-G126 WeakPolarHBondContact CE-O 2.95Å; K124-G126 PolarHBondContact O-N 3.29Å
127S68.1Low83.9Confident33 Ų3338.5 Ų38.523%0.23124%0.242CC..PPolyproline II helixtrans-75.8132.3171.5640000110.7Q51 S123 K124 I125Q51-S127 PolarHBondContact NE2-O 3.37Å; Q51-S127 PolarHBondContact OE1-O 2.83Å; S123-S127 PolarHBondContact OG-OG 3.01Å; K124-S127 PolarHBondContact O-N 2.89Å; K124-S127 PolarHBondContact O-OG 3.4Å; I125-S127 PolarHBondContact O-N 3.04Å
128S73.9Confident83.6Confident65 Ų6542 Ų4246%0.45526%0.259SS..PPolyproline II helixtrans-62.6143.6175.5-55.20000111.9
129P85.1Confident83.5Confident16 Ų1642.5 Ų42.510%0.10426%0.264CS..PPolyproline II helixtrans-59.1156.6173.9-20.733000112F120 A133 L134F120-P129 HydrophobicContact CB-CB 4.27Å; F120-P129 HydrophobicContact CB-CG 3.98Å; F120-P129 HydrophobicContact CD1-CB 3.59Å; F120-P129 HydrophobicContact CD1-CG 3.71Å; F120-P129 HydrophobicContact CD2-CG 4.23Å; F120-P129 HydrophobicContact CE1-CB 4.14Å; F120-P129 HydrophobicContact CE1-CG 4.22Å; F120-P129 HydrophobicContact CG-CB 4.04Å; F120-P129 HydrophobicContact CG-CG 3.7Å; P129-A133 HydrophobicContact CB-CB 4.18Å; P129-L134 HydrophobicContact CB-CD2 4.04Å; P129-L134 HydrophobicContact CB-CG 4.2Å; P129-L134 HydrophobicContact CG-CD2 4.09Å
130S85.4Confident83.6Confident28 Ų2842.6 Ų42.620%0.19627%0.265CS..PPolyproline II helixtrans-61.2151.1177.184.10000111.3D91 A132 A133 L134D91-S130 PolarHBondContact O-OG 3.46Å; S130-A132 PolarHBondContact O-N 3.38Å; S130-A133 WeakPolarHBondContact O-CB 3.35Å; S130-A133 PolarHBondContact O-N 2.94Å; S130-A133 WeakPolarHBondContact OG-CB 3.47Å; S130-A133 PolarHBondContact OG-N 3.22Å; S130-A133 VanDerWaalsContact OG-N 3.08Å; S130-L134 PolarHBondContact O-N 2.93Å
131P87.4Confident83.7Confident84 Ų8443.1 Ų43.155%0.54527%0.268SS..Hα-helixtrans-54.8-34.7175-27.935.8000113.4W6 L134 S135W6-P131 HydrophobicContact CZ3-CB 4.2Å; P131-L134 PolarHBondContact O-N 2.84Å; P131-S135 WeakPolarHBondContact O-CB 3.45Å; P131-S135 PolarHBondContact O-N 3.15Å
132A88.8Confident83.8Confident47 Ų4744.7 Ų44.739%0.38828%0.279SS..Hα-helixtrans-66.1-42.8175.700000111.6S130 S135 A136S130-A132 PolarHBondContact O-N 3.38Å; A132-S135 PolarHBondContact O-N 3.43Å; A132-A136 WeakPolarHBondContact O-CB 3.16Å; A132-A136 PolarHBondContact O-N 3.35Å
133A91Very high84.5Confident1 Ų147.8 Ų47.81%0.00829%0.289CS..Hα-helixtrans-64.1-41.5175.300000111.8V89 G90 F120 P129 S130 A136 A137V89-A133 HydrophobicContact CG1-CB 3.77Å; V89-A133 WeakPolarHBondContact CG1-O 3.48Å; G90-A133 WeakPolarHBondContact O-CB 3.5Å; F120-A133 HydrophobicContact CD1-CB 4.08Å; F120-A133 HydrophobicContact CE1-CB 4.36Å; P129-A133 HydrophobicContact CB-CB 4.18Å; S130-A133 WeakPolarHBondContact O-CB 3.35Å; S130-A133 PolarHBondContact O-N 2.94Å; S130-A133 WeakPolarHBondContact OG-CB 3.47Å; S130-A133 PolarHBondContact OG-N 3.22Å; S130-A133 VanDerWaalsContact OG-N 3.08Å; A133-A136 PolarHBondContact O-N 3.03Å; A133-A137 WeakPolarHBondContact O-CB 3.19Å; A133-A137 PolarHBondContact O-N 3.38Å
134L90Very high85.6Confident33 Ų3345.8 Ų45.817%0.17328%0.275CS..Hα-helixtrans-61.6-47.8176.2-67.5173.9000111.4L4 F120 P129 S130 P131 A136 A137 E138L4-L134 HydrophobicContact CD1-CD1 4Å; L4-L134 HydrophobicContact CD1-CD2 4.04Å; L4-L134 HydrophobicContact CD2-CD1 3.93Å; F120-L134 HydrophobicContact CE1-CD2 4.43Å; P129-L134 HydrophobicContact CB-CD2 4.04Å; P129-L134 HydrophobicContact CB-CG 4.2Å; P129-L134 HydrophobicContact CG-CD2 4.09Å; S130-L134 PolarHBondContact O-N 2.93Å; P131-L134 PolarHBondContact O-N 2.84Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 2.85Å; L134-A137 PolarHBondContact O-N 2.89Å; L134-E138 WeakPolarHBondContact O-CG 3.4Å; L134-E138 PolarHBondContact O-N 3.04Å
135S90.7Very high86.8Confident76 Ų7640.9 Ų40.953%0.53126%0.256SS..Hα-helixtrans-60.3-41177.4-175.10000112.3P131 A132 A137 E138 G139P131-S135 WeakPolarHBondContact O-CB 3.45Å; P131-S135 PolarHBondContact O-N 3.15Å; A132-S135 PolarHBondContact O-N 3.43Å; S135-A137 PolarHBondContact O-N 2.88Å; S135-E138 PolarHBondContact O-N 3.04Å; S135-G139 PolarHBondContact O-N 3.16Å
136A93.8Very high88.4Confident11 Ų1141.3 Ų41.39%0.09126%0.255CS..Hα-helixtrans-64.1-40.4176.300000112.5V89 G93 V95 A132 A133 L134 G139 L140V89-A136 HydrophobicContact CG1-CB 3.95Å; G93-A136 VanDerWaalsContact O-CB 3.24Å; G93-A136 WeakPolarHBondContact O-CB 3.33Å; V95-A136 HydrophobicContact CG2-CB 4.12Å; A132-A136 WeakPolarHBondContact O-CB 3.16Å; A132-A136 PolarHBondContact O-N 3.35Å; A133-A136 PolarHBondContact O-N 3.03Å; L134-A136 VanDerWaalsContact C-N 3.32Å; L134-A136 PolarHBondContact O-N 2.85Å; A136-G139 PolarHBondContact O-N 2.97Å; A136-L140 PolarHBondContact O-N 3.01Å
137A94.6Very high90.3Very high6 Ų644.5 Ų44.55%0.0526%0.256CS..Hα-helixtrans-66.2-41.6175.500000111.9V89 F120 A133 L134 S135 G139 L140 I141V89-A137 HydrophobicContact CG2-CB 4.31Å; F120-A137 HydrophobicContact CE1-CB 3.73Å; F120-A137 HydrophobicContact CZ-CB 3.53Å; A133-A137 WeakPolarHBondContact O-CB 3.19Å; A133-A137 PolarHBondContact O-N 3.38Å; L134-A137 PolarHBondContact O-N 2.89Å; S135-A137 PolarHBondContact O-N 2.88Å; A137-G139 VanDerWaalsContact C-N 3.34Å; A137-G139 PolarHBondContact O-N 3.45Å; A137-L140 WeakPolarHBondContact O-CB 3.41Å; A137-L140 PolarHBondContact O-N 3.45Å; A137-L140 VanDerWaalsContact O-N 3.16Å; A137-I141 VanDerWaalsContact O-CG1 3.24Å; A137-I141 WeakPolarHBondContact O-CG1 3.36Å; A137-I141 PolarHBondContact O-N 3.46Å
138E91.9Very high91.7Very high74 Ų7444.7 Ų44.735%0.34626%0.263SS..Hα-helixtrans-59.9-43.9175-73.9173.217600111.9L7 L134 S135 L140 I141 S142L7-E138 HydrophobicContact CD2-CG 4.47Å; L134-E138 WeakPolarHBondContact O-CG 3.4Å; L134-E138 PolarHBondContact O-N 3.04Å; S135-E138 PolarHBondContact O-N 3.04Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.46Å; E138-I141 PolarHBondContact O-N 3.34Å; E138-S142 WeakPolarHBondContact O-CB 3.49Å; E138-S142 PolarHBondContact O-N 2.85Å; E138-S142 PolarHBondContact O-OG 2.97Å
139G94.2Very high92.8Very high13 Ų1343 Ų4313%0.13425%0.248CC..Hα-helixtrans-60.7-40.8173.600000112.3S135 A136 A137 Y143S135-G139 PolarHBondContact O-N 3.16Å; A136-G139 PolarHBondContact O-N 2.97Å; A137-G139 VanDerWaalsContact C-N 3.34Å; A137-G139 PolarHBondContact O-N 3.45Å; G139-Y143 WeakPolarHBondContact O-CB 3.44Å; G139-Y143 PolarHBondContact O-N 2.9Å
140L96.9Very high93.3Very high2 Ų242.3 Ų42.31%0.0124%0.243CC..Hα-helixtrans-63.8-46.1176.2-173.767.7000112.9P21 V23 F87 V95 W101 I118 A136 A137 E138 Y143 A144P21-L140 HydrophobicContact CB-CB 4.43Å; P21-L140 HydrophobicContact CG-CD1 4.33Å; V23-L140 HydrophobicContact CG2-CD1 4.48Å; F87-L140 HydrophobicContact CB-CD2 3.63Å; F87-L140 HydrophobicContact CD1-CD1 4.31Å; F87-L140 HydrophobicContact CD1-CD2 4.3Å; F87-L140 HydrophobicContact CD2-CD2 4.01Å; F87-L140 HydrophobicContact CE1-CD1 4.49Å; F87-L140 HydrophobicContact CG-CD1 4.39Å; F87-L140 HydrophobicContact CG-CD2 3.7Å; V95-L140 HydrophobicContact CG1-CD1 3.97Å; V95-L140 HydrophobicContact CG1-CD2 3.75Å; V95-L140 HydrophobicContact CG1-CG 4.38Å; V95-L140 HydrophobicContact CG2-CB 4.18Å; V95-L140 HydrophobicContact CG2-CD2 4.35Å; W101-L140 HydrophobicContact CH2-CD1 3.44Å; W101-L140 VanDerWaalsContact CH2-CD1 3.44Å; W101-L140 HydrophobicContact CH2-CG 3.96Å; W101-L140 HydrophobicContact CZ2-CD1 3.57Å; I118-L140 HydrophobicContact CD1-CD2 4.16Å; I118-L140 HydrophobicContact CG1-CD2 4.45Å; A136-L140 PolarHBondContact O-N 3.01Å; A137-L140 WeakPolarHBondContact O-CB 3.41Å; A137-L140 PolarHBondContact O-N 3.45Å; A137-L140 VanDerWaalsContact O-N 3.16Å; E138-L140 VanDerWaalsContact C-N 3.32Å; E138-L140 PolarHBondContact O-N 3.46Å; L140-Y143 PolarHBondContact O-N 3.15Å; L140-A144 WeakPolarHBondContact O-CB 3.5Å; L140-A144 PolarHBondContact O-N 2.95Å
141I95.3Very high93.5Very high25 Ų2542.4 Ų42.413%0.12824%0.244CC..Hα-helixtrans-64.3-44.6179.7-67.1173.4000109.9I47 I118 A137 E138 Y143 A144 I145 L150 Y154I47-I141 HydrophobicContact CD1-CB 4.3Å; I47-I141 HydrophobicContact CD1-CD1 3.63Å; I47-I141 HydrophobicContact CD1-CG1 3.51Å; I47-I141 HydrophobicContact CD1-CG2 3.93Å; I118-I141 HydrophobicContact CD1-CD1 4.39Å; I118-I141 HydrophobicContact CD1-CG1 4.05Å; A137-I141 VanDerWaalsContact O-CG1 3.24Å; A137-I141 WeakPolarHBondContact O-CG1 3.36Å; A137-I141 PolarHBondContact O-N 3.46Å; E138-I141 PolarHBondContact O-N 3.34Å; I141-Y143 VanDerWaalsContact C-N 3.33Å; I141-Y143 PolarHBondContact O-N 2.85Å; I141-A144 WeakPolarHBondContact O-CB 3.29Å; I141-A144 PolarHBondContact O-N 3.37Å; I141-A144 VanDerWaalsContact O-N 3.15Å; I141-I145 HydrophobicContact CG2-CD1 4.14Å; I141-I145 WeakPolarHBondContact O-CG1 3.28Å; I141-I145 PolarHBondContact O-N 3.18Å; I141-L150 HydrophobicContact CG2-CD2 3.94Å; I141-Y154 HydrophobicContact CG2-CE1 3.94Å
142S93.4Very high93.4Very high34 Ų3443.3 Ų43.324%0.23825%0.25CC..Hα-helixtrans-59.6-44.7176.8-59.60000111.5E138 I145 Q146E138-S142 WeakPolarHBondContact O-CB 3.49Å; E138-S142 PolarHBondContact O-N 2.85Å; E138-S142 PolarHBondContact O-OG 2.97Å; S142-I145 PolarHBondContact O-N 2.96Å; S142-Q146 WeakPolarHBondContact O-CB 3.46Å; S142-Q146 PolarHBondContact O-N 3.2Å
143Y95.4Very high93.1Very high71 Ų7152 Ų5228%0.27827%0.272SS..Hα-helixtrans-61.3-43.8174.2-178.4-88.7000112.1T20 P21 W101 G139 L140 I141 I145 Q146 K147T20-Y143 HydrophobicContact CG2-CD2 4.2Å; T20-Y143 HydrophobicContact CG2-CE2 4.43Å; P21-Y143 HydrophobicContact CG-CG 4.45Å; W101-Y143 HydrophobicContact CH2-CD1 4.13Å; W101-Y143 AromaticContact CZ2-CD1 3.67Å; W101-Y143 HydrophobicContact CZ2-CD1 3.67Å; W101-Y143 AromaticContact CZ2-CE1 3.93Å; W101-Y143 HydrophobicContact CZ2-CE1 3.93Å; G139-Y143 WeakPolarHBondContact O-CB 3.44Å; G139-Y143 PolarHBondContact O-N 2.9Å; L140-Y143 PolarHBondContact O-N 3.15Å; I141-Y143 VanDerWaalsContact C-N 3.33Å; I141-Y143 PolarHBondContact O-N 2.85Å; Y143-I145 VanDerWaalsContact C-N 3.31Å; Y143-I145 PolarHBondContact O-N 3.14Å; Y143-Q146 PolarHBondContact O-N 3.26Å; Y143-K147 HydrophobicContact CD1-CG 4.05Å; Y143-K147 HydrophobicContact CD2-CG 4.31Å; Y143-K147 HydrophobicContact CE1-CB 4.37Å; Y143-K147 HydrophobicContact CE1-CG 3.62Å; Y143-K147 HydrophobicContact CE2-CD 4.46Å; Y143-K147 HydrophobicContact CE2-CG 3.94Å; Y143-K147 HydrophobicContact CG-CG 4.38Å; Y143-K147 WeakPolarHBondContact O-CB 3.5Å; Y143-K147 WeakPolarHBondContact O-CG 3.24Å; Y143-K147 PolarHBondContact O-N 3.49Å
144A96Very high92.7Very high1 Ų155.2 Ų55.21%0.00829%0.285CS..Hα-helixtrans-59.8-41.1179.400000112.1W101 L116 L140 I141 G148 H149 L150W101-A144 HydrophobicContact CH2-CB 3.75Å; W101-A144 HydrophobicContact CZ3-CB 3.47Å; W101-A144 VanDerWaalsContact CZ3-CB 3.47Å; L116-A144 HydrophobicContact CD1-CB 4.24Å; L140-A144 WeakPolarHBondContact O-CB 3.5Å; L140-A144 PolarHBondContact O-N 2.95Å; I141-A144 WeakPolarHBondContact O-CB 3.29Å; I141-A144 PolarHBondContact O-N 3.37Å; I141-A144 VanDerWaalsContact O-N 3.15Å; A144-G148 PolarHBondContact O-N 2.85Å; A144-H149 HydrophobicContact CB-CB 4.28Å; A144-H149 PolarHBondContact O-N 3.1Å; A144-L150 HydrophobicContact CB-CB 3.74Å; A144-L150 HydrophobicContact CB-CD2 4.4Å; A144-L150 PolarHBondContact O-N 3Å
145I93.6Very high91.9Very high53 Ų5357.6 Ų57.627%0.27230%0.297SS..Hα-helixtrans-66.1-48.9175.7-64.8168.4000110.1I141 S142 Y143 K147 G148 L150 P152 Y154I141-I145 HydrophobicContact CG2-CD1 4.14Å; I141-I145 WeakPolarHBondContact O-CG1 3.28Å; I141-I145 PolarHBondContact O-N 3.18Å; S142-I145 PolarHBondContact O-N 2.96Å; Y143-I145 VanDerWaalsContact C-N 3.31Å; Y143-I145 PolarHBondContact O-N 3.14Å; I145-K147 VanDerWaalsContact C-N 3.27Å; I145-K147 PolarHBondContact O-N 3.49Å; I145-G148 PolarHBondContact O-N 3.14Å; I145-G148 VanDerWaalsContact O-N 3.12Å; I145-L150 HydrophobicContact CD1-CD2 4.42Å; I145-L150 HydrophobicContact CG1-CB 4.16Å; I145-L150 HydrophobicContact CG1-CD2 3.92Å; I145-L150 HydrophobicContact CG1-CG 4.19Å; I145-P152 HydrophobicContact CG2-CB 4.04Å; I145-P152 HydrophobicContact CG2-CG 3.92Å; I145-Y154 HydrophobicContact CD1-CD1 4.15Å; I145-Y154 HydrophobicContact CD1-CE1 4Å
146Q95.8Very high91.3Very high150 Ų15058.1 Ų58.170%0.70129%0.291SS*.Hα-helixtrans-61-35.7-177.7-168.4-172.339.200112.8S142 Y143S142-Q146 WeakPolarHBondContact O-CB 3.46Å; S142-Q146 PolarHBondContact O-N 3.2Å; Y143-Q146 PolarHBondContact O-N 3.26Å
147K96.1Very high89.8Confident112 Ų11258.6 Ų58.649%0.48729%0.293SS..THydrogen-bonded Turntrans-89.21.2179.9-62.7-55.3-175.8-1770114.2Y143 I145 H149Y143-K147 HydrophobicContact CD1-CG 4.05Å; Y143-K147 HydrophobicContact CD2-CG 4.31Å; Y143-K147 HydrophobicContact CE1-CB 4.37Å; Y143-K147 HydrophobicContact CE1-CG 3.62Å; Y143-K147 HydrophobicContact CE2-CD 4.46Å; Y143-K147 HydrophobicContact CE2-CG 3.94Å; Y143-K147 HydrophobicContact CG-CG 4.38Å; Y143-K147 WeakPolarHBondContact O-CB 3.5Å; Y143-K147 WeakPolarHBondContact O-CG 3.24Å; Y143-K147 PolarHBondContact O-N 3.49Å; I145-K147 VanDerWaalsContact C-N 3.27Å; I145-K147 PolarHBondContact O-N 3.49Å; K147-H149 VanDerWaalsContact C-N 3.28Å; K147-H149 PolarHBondContact O-N 2.98Å
148G95.6Very high87.8Confident37 Ų3762.1 Ų62.138%0.38131%0.311SS..THydrogen-bonded Turntrans7319.1179.300000114.1P43 A144 I145P43-G148 WeakPolarHBondContact CA-O 3.37Å; P43-G148 WeakPolarHBondContact CB-O 3.32Å; A144-G148 PolarHBondContact O-N 2.85Å; I145-G148 PolarHBondContact O-N 3.14Å; I145-G148 VanDerWaalsContact O-N 3.12Å
149H97.3Very high86Confident30 Ų3060.7 Ų60.714%0.13931%0.306CS..SBendtrans-78-32.9170.5-61.6-56.2000111.3L42 P43 V44 W101 A144 K147L42-H149 WeakPolarHBondContact CD1-ND1 3.4Å; L42-H149 WeakPolarHBondContact CD2-O 3.37Å; P43-H149 WeakPolarHBondContact CA-O 3.19Å; V44-H149 WeakPolarHBondContact CG2-O 3.39Å; V44-H149 PolarHBondContact N-O 3.45Å; W101-H149 HydrophobicContact CD2-CB 4.43Å; W101-H149 AromaticContact CD2-CD2 3.61Å; W101-H149 AromaticContact CD2-CG 3.92Å; W101-H149 AromaticContact CD2-NE2 3.99Å; W101-H149 HydrophobicContact CE3-CB 3.69Å; W101-H149 AromaticContact CE3-CD2 3.7Å; W101-H149 AromaticContact CE3-CG 3.68Å; W101-H149 AromaticContact CG-CD2 3.91Å; W101-H149 AromaticContact CG-CE1 3.96Å; W101-H149 AromaticContact CG-NE2 3.8Å; W101-H149 HydrophobicContact CZ3-CB 4.13Å; A144-H149 HydrophobicContact CB-CB 4.28Å; A144-H149 PolarHBondContact O-N 3.1Å; K147-H149 VanDerWaalsContact C-N 3.28Å; K147-H149 PolarHBondContact O-N 2.98Å
150L96.1Very high83.7Confident1 Ų164.7 Ų64.71%0.00532%0.323CS..EExtended strand (participates in β ladder)trans-123.6139.4-178.3-175.866.6000110.8V44 I47 I141 A144 I145 Y154V44-L150 HydrophobicContact CG2-CD1 3.81Å; I47-L150 HydrophobicContact CD1-CD1 4.43Å; I47-L150 HydrophobicContact CD1-CD2 3.41Å; I47-L150 VanDerWaalsContact CD1-CD2 3.41Å; I47-L150 HydrophobicContact CG1-CD1 3.9Å; I47-L150 HydrophobicContact CG1-CD2 3.83Å; I141-L150 HydrophobicContact CG2-CD2 3.94Å; A144-L150 HydrophobicContact CB-CB 3.74Å; A144-L150 HydrophobicContact CB-CD2 4.4Å; A144-L150 PolarHBondContact O-N 3Å; I145-L150 HydrophobicContact CD1-CD2 4.42Å; I145-L150 HydrophobicContact CG1-CB 4.16Å; I145-L150 HydrophobicContact CG1-CD2 3.92Å; I145-L150 HydrophobicContact CG1-CG 4.19Å; L150-Y154 HydrophobicContact CD1-CG 4.04Å; L150-Y154 HydrophobicContact CD2-CD1 3.62Å; L150-Y154 HydrophobicContact CD2-CD2 4.33Å; L150-Y154 HydrophobicContact CD2-CE1 4.11Å; L150-Y154 HydrophobicContact CD2-CG 3.76Å; L150-Y154 HydrophobicContact CG-CD1 4.05Å; L150-Y154 HydrophobicContact CG-CG 3.98Å
151S90.3Very high81.3Confident30 Ų3070 Ų7021%0.2135%0.346CS..EExtended strand (participates in β ladder)trans-61.6136.1173.3177.10000110.8V44 R153 Y154V44-S151 WeakPolarHBondContact O-CB 3.43Å; V44-S151 PolarHBondContact O-N 3.3Å; S151-R153 PolarHBondContact O-N 3.05Å; S151-R153 PolarHBondContact OG-N 3.38Å; S151-Y154 WeakPolarHBondContact O-CB 3.39Å; S151-Y154 WeakPolarHBondContact O-CD1 3.47Å; S151-Y154 PolarHBondContact O-N 3.18Å
152P84.3Confident78.6Confident103 Ų10377.7 Ų77.767%0.66938%0.381SS*.EExtended strand (participates in β ladder)trans-60-16.6170.2-20.529.8000113.8I145I145-P152 HydrophobicContact CG2-CB 4.04Å; I145-P152 HydrophobicContact CG2-CG 3.92Å
153R82.7Confident75.9Confident228 Ų22883.7 Ų83.786%0.8641%0.406SS*.EExtended strand (participates in β ladder)trans-109.834.7175.1-60.4-176-179.5178.70.3111.3S151S151-R153 PolarHBondContact O-N 3.05Å; S151-R153 PolarHBondContact OG-N 3.38Å
154Y82.1Confident72.9Confident69 Ų6986.8 Ų86.827%0.27143%0.432SS..EExtended strand (participates in β ladder)trans-60.2152.9-178.874.8-85.6000111.5A45 I47 I141 I145 L150 S151 Q156A45-Y154 CarbonylContact O-C 3.53Å; A45-Y154 WeakPolarHBondContact O-CA 3.48Å; I47-Y154 HydrophobicContact CB-CD2 4.06Å; I47-Y154 HydrophobicContact CB-CE2 4.19Å; I47-Y154 HydrophobicContact CD1-CD2 4Å; I47-Y154 HydrophobicContact CD1-CE2 3.8Å; I47-Y154 HydrophobicContact CG1-CD2 3.96Å; I47-Y154 HydrophobicContact CG1-CE2 4.2Å; I141-Y154 HydrophobicContact CG2-CE1 3.94Å; I145-Y154 HydrophobicContact CD1-CD1 4.15Å; I145-Y154 HydrophobicContact CD1-CE1 4Å; L150-Y154 HydrophobicContact CD1-CG 4.04Å; L150-Y154 HydrophobicContact CD2-CD1 3.62Å; L150-Y154 HydrophobicContact CD2-CD2 4.33Å; L150-Y154 HydrophobicContact CD2-CE1 4.11Å; L150-Y154 HydrophobicContact CD2-CG 3.76Å; L150-Y154 HydrophobicContact CG-CD1 4.05Å; L150-Y154 HydrophobicContact CG-CG 3.98Å; S151-Y154 WeakPolarHBondContact O-CB 3.39Å; S151-Y154 WeakPolarHBondContact O-CD1 3.47Å; S151-Y154 PolarHBondContact O-N 3.18Å; Y154-Q156 HydrophobicContact CE2-CB 4.37Å
155I74.5Confident69.9Low84 Ų8492.7 Ų92.743%0.43147%0.472SS..EExtended strand (participates in β ladder)trans-109.9132.2176.8-60.4166.8000107.2A45 Y46 I47 P157A45-I155 PolarHBondContact O-N 3.18Å; Y46-I155 CarbonylContact C-O 3.59Å; Y46-I155 WeakPolarHBondContact CA-O 3.39Å; Y46-I155 HydrophobicContact CD1-CB 3.65Å; Y46-I155 HydrophobicContact CD1-CG2 3.97Å; Y46-I155 HydrophobicContact CE1-CB 3.68Å; Y46-I155 HydrophobicContact CE1-CD1 3.87Å; Y46-I155 HydrophobicContact CE1-CG1 4.35Å; Y46-I155 HydrophobicContact CE1-CG2 3.86Å; I47-I155 PolarHBondContact N-O 3.5Å; I155-P157 VanDerWaalsContact O-CD 3.29Å; I155-P157 WeakPolarHBondContact O-CD 3.24Å
156Q77.3Confident67Low86 Ų8697.9 Ų97.940%0.40250%0.499SS..  trans-102.293168.4-173.1172.60.500107.9I47 T49 Y154I47-Q156 HydrophobicContact CG2-CG 4.37Å; I47-Q156 WeakPolarHBondContact O-CA 3.48Å; I47-Q156 WeakPolarHBondContact O-CG 3.47Å; T49-Q156 PolarHBondContact OG1-NE2 2.98Å; Y154-Q156 HydrophobicContact CE2-CB 4.37Å
157P61.8Low64.1Low22 Ų2297.1 Ų97.114%0.14350%0.5CS..  trans-72.5142.3-177.832-28.6000108.5Y46 I47 I48 Y111 I155 L159Y46-P157 HydrophobicContact CD1-CG 4Å; I47-P157 VanDerWaalsContact O-CD 3.28Å; I47-P157 WeakPolarHBondContact O-CD 3.35Å; I48-P157 HydrophobicContact CD1-CG 3.29Å; Y111-P157 HydrophobicContact CD1-CG 4.16Å; Y111-P157 HydrophobicContact CE1-CB 4.27Å; Y111-P157 HydrophobicContact CE1-CG 3.77Å; I155-P157 VanDerWaalsContact O-CD 3.29Å; I155-P157 WeakPolarHBondContact O-CD 3.24Å; P157-L159 HydrophobicContact CB-CD2 3.99Å; P157-L159 HydrophobicContact CB-CG 4.31Å; P157-L159 HydrophobicContact CG-CD1 4.29Å; P157-L159 HydrophobicContact CG-CD2 4.11Å; P157-L159 HydrophobicContact CG-CG 4.06Å; P157-L159 PolarHBondContact O-N 2.89Å; P157-L159 VanDerWaalsContact O-N 3.15Å
158L54.4Low61.4Low79 Ų7995.4 Ų95.441%0.41450%0.501SS..  trans-86.391.2173.8-106.5127.6000109.5Y203 K340L158-Y203 PolarHBondContact O-OH 2.85Å; L158-K340 HydrophobicContact CB-CD 4.16Å; L158-K340 HydrophobicContact CD2-CD 3.66Å; L158-K340 HydrophobicContact CD2-CG 4.44Å; L158-K340 HydrophobicContact CG-CD 4.24Å
159L52.2Low58.7Low45 Ų45102.7 Ų102.724%0.23653%0.525CS..PPolyproline II helixtrans-86118.1176.8-54.3-173.7000108.4I48 T108 Y111 P157 K161I48-L159 HydrophobicContact CD1-CD1 3.35Å; I48-L159 HydrophobicContact CD1-CG 4.13Å; I48-L159 HydrophobicContact CG1-CD1 3.89Å; I48-L159 HydrophobicContact CG2-CD1 3.96Å; T108-L159 HydrophobicContact CG2-CB 4.46Å; T108-L159 HydrophobicContact CG2-CD1 3.35Å; T108-L159 HydrophobicContact CG2-CG 4.44Å; Y111-L159 HydrophobicContact CD2-CD1 3.56Å; Y111-L159 HydrophobicContact CD2-CD2 4.01Å; Y111-L159 HydrophobicContact CD2-CG 4.49Å; Y111-L159 HydrophobicContact CE2-CD1 3.88Å; Y111-L159 HydrophobicContact CE2-CD2 3.43Å; Y111-L159 VanDerWaalsContact CE2-CD2 3.43Å; Y111-L159 HydrophobicContact CE2-CG 4.35Å; Y111-L159 HydrophobicContact CG-CD1 3.91Å; P157-L159 HydrophobicContact CB-CD2 3.99Å; P157-L159 HydrophobicContact CB-CG 4.31Å; P157-L159 HydrophobicContact CG-CD1 4.29Å; P157-L159 HydrophobicContact CG-CD2 4.11Å; P157-L159 HydrophobicContact CG-CG 4.06Å; P157-L159 PolarHBondContact O-N 2.89Å; P157-L159 VanDerWaalsContact O-N 3.15Å; L159-K161 PolarHBondContact O-N 3.43Å
160L45.8Very low55.9Low96 Ų96108.3 Ų108.350%0.50355%0.551SS.*PPolyproline II helixtrans-70.5125.6165.6-71.2169.8000108.1E162 L312L160-E162 PolarHBondContact O-N 3.31Å; L160-L312 HydrophobicContact CD1-CD1 3.65Å; L160-L312 HydrophobicContact CD1-CD2 3.55Å; L160-L312 HydrophobicContact CD1-CG 3.36Å; L160-L312 HydrophobicContact CD2-CD1 4.03Å; L160-L312 HydrophobicContact CD2-CD2 3.81Å; L160-L312 HydrophobicContact CD2-CG 4.25Å; L160-L312 HydrophobicContact CG-CD1 3.59Å; L160-L312 HydrophobicContact CG-CD2 3.99Å; L160-L312 HydrophobicContact CG-CG 3.87Å
161K46.7Very low53.1Low114 Ų114113.2 Ų113.250%0.49658%0.583SS.*PPolyproline II helixtrans-58.8131.6153.8-85178.2155.7169.30106.8D50 Q51 L159 E163D50-K161 WeakPolarHBondContact OD1-CE 3.39Å; D50-K161 IonicContact OD1-NZ 2.63Å; D50-K161 PolarHBondContact OD1-NZ 3.15Å; D50-K161 WeakPolarHBondContact OD2-CE 3.37Å; D50-K161 IonicContact OD2-NZ 2.69Å; D50-K161 PolarHBondContact OD2-NZ 3.07Å; Q51-K161 PolarHBondContact O-NZ 3.28Å; L159-K161 PolarHBondContact O-N 3.43Å; K161-E163 VanDerWaalsContact C-N 3.3Å; K161-E163 PolarHBondContact O-N 3.06Å
162E39.2Very low50.5Low186 Ų186118.5 Ų118.587%0.86961%0.614SS**  trans-56.5100.6164.2-72.5-179.4165.100107.2L160 T164L160-E162 PolarHBondContact O-N 3.31Å; E162-T164 PolarHBondContact O-N 3.15Å; E162-T164 VanDerWaalsContact O-N 3.09Å
163E36Very low48.4Very low161 Ų161120.7 Ų120.775%0.75262%0.617SS**  trans-67.4109.1165-74-172.316300106.3K161 C165K161-E163 VanDerWaalsContact C-N 3.3Å; K161-E163 PolarHBondContact O-N 3.06Å; E163-C165 PolarHBondContact O-N 3.09Å; E163-C165 VanDerWaalsContact O-N 3.08Å
164T33.4Very low46.4Very low135 Ų135115.2 Ų115.283%0.82861%0.61SS**  trans-43.4118.1161.237.70000108.5E162 L166E162-T164 PolarHBondContact O-N 3.15Å; E162-T164 VanDerWaalsContact O-N 3.09Å; T164-L166 PolarHBondContact O-N 3.29Å
165C32.5Very low44.6Very low125 Ų125122.8 Ų122.885%0.84564%0.639SS**  trans-56.2103.9-177.1-49.10000110.6E163 D167E163-C165 PolarHBondContact O-N 3.09Å; E163-C165 VanDerWaalsContact O-N 3.08Å; C165-D167 VanDerWaalsContact C-N 3.34Å; C165-D167 PolarHBondContact O-N 3.28Å
166L33.8Very low43.6Very low162 Ų162123.3 Ų123.385%0.84864%0.638SS**  trans-81.697.9140.2-74.1173.3000104.6T164 P168T164-L166 PolarHBondContact O-N 3.29Å; L166-P168 WeakPolarHBondContact O-CD 3.41Å
167D34.4Very low43.1Very low134 Ų134125.3 Ų125.372%0.71766%0.655SS**  trans-45.8106.4163.4175.325.1000108.6C165C165-D167 VanDerWaalsContact C-N 3.34Å; C165-D167 PolarHBondContact O-N 3.28Å
168P38.6Very low44Very low76 Ų76126.3 Ų126.349%0.49466%0.662SS.*  trans-82.9124.7159.21012.2000104.4L166 H170L166-P168 WeakPolarHBondContact O-CD 3.41Å; P168-H170 PolarHBondContact O-N 2.72Å
169Q40.3Very low45.6Very low190 Ų190123.6 Ų123.689%0.88865%0.649SS**  trans-53.181.9157.4-68.8-177.80.500108.7
170H37.5Very low47.4Very low148 Ų148128.1 Ų128.169%0.68567%0.674SS**  trans-81.1131.3163.3-84.6100.3000105.6P168 V172P168-H170 PolarHBondContact O-N 2.72Å; H170-V172 PolarHBondContact O-N 2.93Å
171P36.7Very low49.8Very low104 Ų104125.1 Ų125.168%0.67566%0.658SS**  trans-55.1131.6177.524.7-32.1000107.6M173P171-M173 VanDerWaalsContact C-N 3.3Å; P171-M173 PolarHBondContact O-N 3.48Å
172V36.6Very low52.3Low142 Ų142120.8 Ų120.886%0.86164%0.64SS**  trans-50.5100.6170.3177.50000106.9H170H170-V172 PolarHBondContact O-N 2.93Å
173M40.3Very low55.1Low149 Ų149118.4 Ų118.473%0.73463%0.627SS**  trans-58.5129.9172.5-76.8-77.9-74.300106.2P171 R175P171-M173 VanDerWaalsContact C-N 3.3Å; P171-M173 PolarHBondContact O-N 3.48Å; M173-R175 PolarHBondContact O-N 3.4Å
174P41.1Very low58Low112 Ų112112.6 Ų112.673%0.72760%0.598SS**  trans-55.3132.8-176.421.2-30.9000108.9K176P174-K176 VanDerWaalsContact C-N 3.27Å; P174-K176 PolarHBondContact O-N 3.24Å
175R42.6Very low61.1Low229 Ų229110.8 Ų110.886%0.86459%0.591SS**  trans-56.686.9-178.5-148.3-179.7-163.4172.13109.1M173 V177M173-R175 PolarHBondContact O-N 3.4Å; R175-V177 PolarHBondContact O-N 2.76Å
176K53.6Low64.2Low94 Ų94108.4 Ų108.441%0.40957%0.572SS.*  trans-68.5126.4171.8-105.6-168.3174.7-168.80107.4P174 C178 E292 D296P174-K176 VanDerWaalsContact C-N 3.27Å; P174-K176 PolarHBondContact O-N 3.24Å; K176-C178 PolarHBondContact O-N 3.22Å; K176-E292 IonicContact NZ-OE1 3.68Å; K176-E292 PolarHBondContact NZ-OE1 3.03Å; K176-D296 VanDerWaalsContact CD-CG 3.5Å; K176-D296 WeakPolarHBondContact CD-OD1 3.16Å; K176-D296 WeakPolarHBondContact CD-OD2 3.19Å; K176-D296 IonicContact NZ-OD1 2.68Å; K176-D296 PolarHBondContact NZ-OD1 3.39Å; K176-D296 IonicContact NZ-OD2 2.88Å; K176-D296 PolarHBondContact NZ-OD2 3.37Å
177V67.9Low67.2Low128 Ų128100.7 Ų100.778%0.77653%0.532SS*.  trans-56.6135.8172.9-179.60000107.4R175R175-V177 PolarHBondContact O-N 2.76Å
178C81.1Confident70.2Confident43 Ų43100.7 Ų100.729%0.29153%0.528SS..  trans-42.4136172.8-75.70000111K176 C300K176-C178 PolarHBondContact O-N 3.22Å; C178-C300 HydrophobicContact CB-CB 3.77Å; C178-C300 WeakPolarHBondContact CB-SG 3.35Å; C178-C300 WeakPolarHBondContact SG-CB 3.32Å; C178-C300 CovalentContact SG-SG 2.03Å; C178-C300 PolarHBondContact SG-SG 3.43Å
179P87.6Confident73.1Confident22 Ų2298.4 Ų98.414%0.14352%0.515CS..  trans-60.8153.6-179.527.9-34.7000109.5I181 V252 D296 L297P179-I181 PolarHBondContact O-N 3.31Å; P179-V252 HydrophobicContact CB-CG2 4.22Å; P179-V252 HydrophobicContact CG-CG2 4.2Å; P179-D296 HydrophobicContact CB-CB 4.26Å; P179-D296 WeakPolarHBondContact CD-O 3.36Å; P179-D296 HydrophobicContact CG-CB 4.2Å; P179-L297 HydrophobicContact CG-CB 3.99Å; P179-L297 HydrophobicContact CG-CD1 4.19Å
180N89.1Confident75.8Confident140 Ų14093.5 Ų93.575%0.74949%0.488SS*.  trans-67.3104.5173.5-176.533.3000109.4I182N180-I182 PolarHBondContact O-N 3.12Å
181I97.3Very high78.5Confident33 Ų3394 Ų9417%0.16949%0.491CS..EExtended strand (participates in β ladder)trans-81.9116.5177.8-60.3173.3000108.6P179 K183 F244 V252 E254 W258 L297P179-I181 PolarHBondContact O-N 3.31Å; I181-K183 PolarHBondContact O-N 3.05Å; I181-K183 VanDerWaalsContact O-N 3.08Å; I181-F244 HydrophobicContact CD1-CE1 4.11Å; I181-F244 HydrophobicContact CG2-CD1 4.33Å; I181-F244 HydrophobicContact CG2-CE1 3.99Å; I181-V252 CarbonylContact C-O 3.45Å; I181-V252 HydrophobicContact CG1-CG1 4.24Å; I181-E254 HydrophobicContact CG2-CB 3.82Å; I181-W258 HydrophobicContact CD1-CZ2 3.72Å; I181-L297 HydrophobicContact CD1-CD1 3.88Å; I181-L297 HydrophobicContact CG1-CD1 4.23Å
182I98Very high81.3Confident23 Ų2391.3 Ų91.312%0.11847%0.473CS..EExtended strand (participates in β ladder)trans-69.1104.2171.4-62.7110.5000108.2N180 V186 V252 Y253 E254N180-I182 PolarHBondContact O-N 3.12Å; I182-V186 HydrophobicContact CG2-CB 3.73Å; I182-V186 HydrophobicContact CG2-CG1 3.74Å; I182-V186 HydrophobicContact CG2-CG2 4.34Å; I182-V252 WeakPolarHBondContact CD1-O 3.05Å; I182-V252 PolarHBondContact N-O 3.24Å; I182-Y253 HydrophobicContact CB-CD1 3.9Å; I182-Y253 HydrophobicContact CB-CE1 4.11Å; I182-Y253 HydrophobicContact CD1-CD1 4.26Å; I182-Y253 HydrophobicContact CD1-CE1 3.94Å; I182-Y253 HydrophobicContact CD1-CE2 4.22Å; I182-Y253 HydrophobicContact CG1-CD1 4.47Å; I182-Y253 HydrophobicContact CG1-CE1 4.22Å; I182-Y253 HydrophobicContact CG2-CD1 3.82Å; I182-Y253 HydrophobicContact CG2-CE1 3.93Å; I182-E254 WeakPolarHBondContact O-CB 3.4Å; I182-E254 PolarHBondContact O-N 3.5Å
183K98.1Very high84Confident136 Ų13691.3 Ų91.359%0.59146%0.463SS*.  trans-63.9156.1-175.2-62.8-173.1178.7-177.60112.4I181 S185 V186 E254I181-K183 PolarHBondContact O-N 3.05Å; I181-K183 VanDerWaalsContact O-N 3.08Å; K183-S185 PolarHBondContact O-N 3.48Å; K183-S185 VanDerWaalsContact O-N 3.12Å; K183-V186 HydrophobicContact CB-CG2 4.48Å; K183-V186 WeakPolarHBondContact O-CB 3.32Å; K183-V186 PolarHBondContact O-N 3.04Å; K183-E254 VanDerWaalsContact CA-OE2 3.3Å; K183-E254 WeakPolarHBondContact CA-OE2 3.46Å
184R98.1Very high86.6Confident40 Ų4085 Ų8515%0.15143%0.434CS..THydrogen-bonded Turntrans-46.3-40.8174.7-73.4-177.870.394.2-2.6114.9V186 W187 E188 A189 R190 D239 E254 G255R184-V186 VanDerWaalsContact C-N 3.28Å; R184-V186 PolarHBondContact O-N 3.05Å; R184-W187 HydrophobicContact CB-CZ2 4.46Å; R184-W187 HydrophobicContact CG-CZ2 4.03Å; R184-E188 PolarHBondContact O-N 2.95Å; R184-A189 HydrophobicContact CB-CB 3.66Å; R184-A189 HydrophobicContact CG-CB 4.14Å; R184-A189 VanDerWaalsContact O-CB 3.25Å; R184-A189 WeakPolarHBondContact O-CB 3.44Å; R184-A189 PolarHBondContact O-N 3.19Å; R184-R190 PolarHBondContact NH2-O 3.23Å; R184-D239 IonicContact CZ-OD2 3.13Å; R184-D239 IonicContact NH1-OD1 2.79Å; R184-D239 IonicContact NH1-OD2 3.74Å; R184-D239 PolarHBondContact NH1-OD2 2.78Å; R184-D239 IonicContact NH2-OD1 3.3Å; R184-D239 PolarHBondContact NH2-OD1 3.19Å; R184-D239 IonicContact NH2-OD2 2.76Å; R184-D239 PolarHBondContact NH2-OD2 3.37Å; R184-E254 HydrophobicContact CG-CB 4.16Å; R184-E254 HydrophobicContact CG-CG 3.87Å; R184-E254 WeakPolarHBondContact CG-OE2 3Å; R184-E254 PolarHBondContact N-OE2 2.94Å; R184-G255 WeakPolarHBondContact CD-O 3.43Å; R184-G255 VanDerWaalsContact NH1-C 3.34Å; R184-G255 PolarHBondContact NH1-O 3.47Å
185S97.5Very high89.2Confident97 Ų9783.1 Ų83.168%0.67842%0.421SS*.THydrogen-bonded Turntrans-66.6-27.3-179.557.60000113.6K183 E188K183-S185 PolarHBondContact O-N 3.48Å; K183-S185 VanDerWaalsContact O-N 3.12Å; S185-E188 PolarHBondContact O-N 3.29Å
186V97.6Very high91.7Very high75 Ų7580.8 Ų80.846%0.45542%0.417SS..THydrogen-bonded Turntrans-71.5-39.1-177.4-179.40000111.2I182 K183 R184 E188I182-V186 HydrophobicContact CG2-CB 3.73Å; I182-V186 HydrophobicContact CG2-CG1 3.74Å; I182-V186 HydrophobicContact CG2-CG2 4.34Å; K183-V186 HydrophobicContact CB-CG2 4.48Å; K183-V186 WeakPolarHBondContact O-CB 3.32Å; K183-V186 PolarHBondContact O-N 3.04Å; R184-V186 VanDerWaalsContact C-N 3.28Å; R184-V186 PolarHBondContact O-N 3.05Å; V186-E188 VanDerWaalsContact C-N 3.32Å
187W97.6Very high93.7Very high0 Ų077 Ų770%040%0.401CS..THydrogen-bonded Turntrans-93.211176.860.1-98000113.1R184 A189 Q221 V224 R225 Q228 E254R184-W187 HydrophobicContact CB-CZ2 4.46Å; R184-W187 HydrophobicContact CG-CZ2 4.03Å; W187-A189 HydrophobicContact CD2-CB 4Å; W187-A189 HydrophobicContact CE3-CB 3.8Å; W187-A189 HydrophobicContact CH2-CB 3.15Å; W187-A189 HydrophobicContact CZ2-CB 3.36Å; W187-A189 HydrophobicContact CZ3-CB 3.4Å; W187-Q221 HydrophobicContact CB-CB 3.93Å; W187-Q221 HydrophobicContact CB-CG 4.11Å; W187-V224 HydrophobicContact CD2-CG1 3.74Å; W187-V224 HydrophobicContact CE3-CG1 3.96Å; W187-V224 HydrophobicContact CG-CG1 4.17Å; W187-V224 HydrophobicContact CH2-CG1 4.29Å; W187-V224 HydrophobicContact CZ2-CG1 4.08Å; W187-V224 HydrophobicContact CZ3-CG1 4.21Å; W187-R225 HydrophobicContact CE3-CB 4.39Å; W187-R225 VanDerWaalsContact O-CZ 3.3Å; W187-R225 PolarHBondContact O-NE 3.24Å; W187-R225 PolarHBondContact O-NH2 2.03Å; W187-Q228 HydrophobicContact CH2-CB 4.27Å; W187-Q228 HydrophobicContact CH2-CG 4.33Å; W187-Q228 HydrophobicContact CZ3-CB 4.03Å; W187-Q228 HydrophobicContact CZ3-CG 4.35Å; W187-E254 VanDerWaalsContact CE2-O 3.31Å; W187-E254 WeakPolarHBondContact CZ2-O 3.47Å; W187-E254 PolarHBondContact NE1-O 2.82Å
188E97.9Very high94.8Very high134 Ų13475.6 Ų75.663%0.62639%0.389SS*.THydrogen-bonded Turntrans60.847.8177.7-53.9169.7160.300112.7R184 S185 V186 R225R184-E188 PolarHBondContact O-N 2.95Å; S185-E188 PolarHBondContact O-N 3.29Å; V186-E188 VanDerWaalsContact C-N 3.32Å; E188-R225 VanDerWaalsContact CD-NH2 3.34Å; E188-R225 IonicContact OE2-CZ 2.7Å; E188-R225 IonicContact OE2-NE 3.6Å; E188-R225 IonicContact OE2-NH1 3.71Å; E188-R225 IonicContact OE2-NH2 2.76Å; E188-R225 PolarHBondContact OE2-NH2 3.22Å
189A97.8Very high95.4Very high27 Ų2776.5 Ų76.522%0.22339%0.391CS..PPolyproline II helixtrans-59.513717800000112.8R184 W187R184-A189 HydrophobicContact CB-CB 3.66Å; R184-A189 HydrophobicContact CG-CB 4.14Å; R184-A189 VanDerWaalsContact O-CB 3.25Å; R184-A189 WeakPolarHBondContact O-CB 3.44Å; R184-A189 PolarHBondContact O-N 3.19Å; W187-A189 HydrophobicContact CD2-CB 4Å; W187-A189 HydrophobicContact CE3-CB 3.8Å; W187-A189 HydrophobicContact CH2-CB 3.15Å; W187-A189 HydrophobicContact CZ2-CB 3.36Å; W187-A189 HydrophobicContact CZ3-CB 3.4Å
190R97.9Very high95.9Very high87 Ų8778.7 Ų78.733%0.32841%0.406SS..PPolyproline II helixtrans-67.7161165-60.8-173.8-66.3178.3-2.5111.4R184 Q228 S229 M232 D233R184-R190 PolarHBondContact NH2-O 3.23Å; R190-Q228 PolarHBondContact NH2-O 2.88Å; R190-Q228 PolarHBondContact O-NE2 3.02Å; R190-S229 VanDerWaalsContact NH2-CA 3.33Å; R190-M232 HydrophobicContact CB-SD 4.3Å; R190-M232 VanDerWaalsContact CZ-SD 3.53Å; R190-M232 PolarHBondContact NE-SD 3.24Å; R190-M232 VanDerWaalsContact NH2-CB 3.29Å; R190-M232 PolarHBondContact NH2-SD 3.21Å; R190-D233 IonicContact CZ-OD1 3.03Å; R190-D233 IonicContact NH1-OD1 3.13Å; R190-D233 PolarHBondContact NH1-OD1 3.25Å; R190-D233 IonicContact NH1-OD2 3.35Å; R190-D233 IonicContact NH2-OD1 2.72Å; R190-D233 PolarHBondContact NH2-OD1 3.36Å; R190-D233 IonicContact NH2-OD2 3.51Å
191E95.1Very high96.1Very high158 Ų15872 Ų7274%0.73837%0.37SS*.PPolyproline II helixtrans-64.7143.3177.1-68.3-170.1158.900112.1
192T94.1Very high96Very high49 Ų4976.7 Ų76.730%0.30139%0.389SS..PPolyproline II helixtrans-93.3140.3177.2-169.90000110.5C194 D239 V260T192-C194 PolarHBondContact OG1-N 2.89Å; T192-D239 WeakPolarHBondContact CB-OD2 3.35Å; T192-D239 WeakPolarHBondContact OG1-CB 3.4Å; T192-D239 PolarHBondContact OG1-OD2 3.1Å; T192-D239 VanDerWaalsContact OG1-OD2 3.12Å; T192-V260 HydrophobicContact CG2-CG1 4.46Å; T192-V260 HydrophobicContact CG2-CG2 4.49Å
193H93.8Very high95.9Very high141 Ų14177 Ų7765%0.65339%0.389SS*.  trans-119.817.2172.4-54.284.1000111.4C238H193-C238 PolarHBondContact N-O 3.31Å
194C95.2Very high95.9Very high18 Ų1870.5 Ų70.512%0.12236%0.36CS..PPolyproline II helixtrans-73.2152.8-179.6-63.40000111.5T192 C238 D239 V260T192-C194 PolarHBondContact OG1-N 2.89Å; C194-C238 WeakPolarHBondContact CA-SG 3.39Å; C194-C238 HydrophobicContact CB-CB 3.96Å; C194-C238 WeakPolarHBondContact CB-SG 3.11Å; C194-C238 WeakPolarHBondContact SG-CB 3.48Å; C194-C238 CovalentContact SG-SG 2.03Å; C194-C238 PolarHBondContact SG-SG 3.15Å; C194-D239 VanDerWaalsContact SG-CB 3.58Å; C194-V260 HydrophobicContact CB-CG1 3.42Å; C194-V260 VanDerWaalsContact CB-CG1 3.42Å
195P95.1Very high95.9Very high71 Ų7168.6 Ų68.646%0.46135%0.353SS..PPolyproline II helixtrans-67.3167.4175.128.1-32.1000111.5Q261P195-Q261 HydrophobicContact CG-CB 3.91Å; P195-Q261 HydrophobicContact CG-CG 4.45Å; P195-Q261 WeakPolarHBondContact O-CB 3.29Å; P195-Q261 PolarHBondContact O-N 3.03Å
196K95.4Very high96Very high180 Ų18064 Ų6478%0.78332%0.321SS*.BIsolated β-bridgetrans-71.3148.3176.6-67.6-174.2178.4-177.50111.5
197M94.9Very high96Very high14 Ų1460.5 Ų60.57%0.06930%0.3CS..PPolyproline II helixtrans-77.6147175-171.758.9176.600111.6L199 A201 H259 Q261 D270 A272M197-L199 HydrophobicContact CB-CG 4.39Å; M197-L199 HydrophobicContact CG-CD2 3.95Å; M197-L199 HydrophobicContact CG-CG 4.14Å; M197-A201 HydrophobicContact CE-CB 4.18Å; M197-H259 PolarHBondContact N-O 2.92Å; M197-Q261 HydrophobicContact SD-CG 4.48Å; M197-D270 VanDerWaalsContact CE-C 3.49Å; M197-D270 WeakPolarHBondContact CE-O 3.44Å; M197-A272 WeakPolarHBondContact CE-O 3.03Å
198N91.1Very high96.1Very high99 Ų9961 Ų6153%0.52930%0.302SS..  trans-86.5113.9166.3-60.6-42.2000109.2D270N198-D270 WeakPolarHBondContact CB-O 3.35Å; N198-D270 PolarHBondContact N-O 3.35Å
199L94.4Very high96.1Very high62 Ų6255.9 Ų55.933%0.32528%0.28SS..SBendtrans-111.2151.9-179-67.6171.3000111.6M197 Y306M197-L199 HydrophobicContact CB-CG 4.39Å; M197-L199 HydrophobicContact CG-CD2 3.95Å; M197-L199 HydrophobicContact CG-CG 4.14Å; L199-Y306 HydrophobicContact CD1-CD1 3.91Å; L199-Y306 HydrophobicContact CD1-CE1 4.41Å; L199-Y306 HydrophobicContact CD2-CD1 4.48Å; L199-Y306 WeakPolarHBondContact CD2-O 3.47Å
200P96.9Very high95.9Very high69 Ų6957.4 Ų57.445%0.44829%0.292SS..SBendcis-69.2145.2-6.829.6-34.8000111.7
201A95.3Very high95.6Very high0 Ų055 Ų550%030%0.295CS..EExtended strand (participates in β ladder)trans-63.3153.6171.800000110.4M197 L273 Y306 L307 T308M197-A201 HydrophobicContact CE-CB 4.18Å; A201-L273 HydrophobicContact CB-CD1 4.33Å; A201-L273 HydrophobicContact CB-CD2 4.23Å; A201-L273 HydrophobicContact CB-CG 3.73Å; A201-Y306 PolarHBondContact N-O 3.24Å; A201-L307 HydrophobicContact CB-CD1 4.08Å; A201-L307 WeakPolarHBondContact O-CD1 3.39Å; A201-T308 WeakPolarHBondContact O-CG2 3.49Å; A201-T308 PolarHBondContact O-N 3.49Å
202K93.6Very high95.4Very high131 Ų13153.1 Ų53.157%0.5729%0.294SS*.EExtended strand (participates in β ladder)trans-106.9-19.8-179-61.6-179-176.9-179.90113I271 Y311 L312K202-I271 PolarHBondContact N-O 2.84Å; K202-Y311 WeakPolarHBondContact O-CA 3.44Å; K202-L312 PolarHBondContact O-N 3.15Å
203Y96.1Very high95.5Very high28 Ų2853.2 Ų53.211%0.1130%0.297CS..EExtended strand (participates in β ladder)trans-128.2150.7-176.3-62.4-96.7000111.2L158 F268 I271 A272 L273 L312L158-Y203 PolarHBondContact O-OH 2.85Å; Y203-F268 HydrophobicContact CD1-CE1 4.33Å; Y203-F268 HydrophobicContact CD2-CD1 4.33Å; Y203-F268 HydrophobicContact CD2-CE1 4.5Å; Y203-F268 HydrophobicContact CE1-CE1 4.26Å; Y203-F268 HydrophobicContact CE2-CE1 4.45Å; Y203-F268 HydrophobicContact CG-CD1 4.35Å; Y203-F268 HydrophobicContact CG-CE1 4.46Å; Y203-I271 HydrophobicContact CD2-CD1 4.03Å; Y203-I271 HydrophobicContact CD2-CG1 4.3Å; Y203-I271 HydrophobicContact CE2-CD1 3.91Å; Y203-I271 PolarHBondContact N-O 2.88Å; Y203-A272 CarbonylContact O-C 3.36Å; Y203-A272 VanDerWaalsContact O-CA 3.3Å; Y203-A272 WeakPolarHBondContact O-CA 3.39Å; Y203-L273 PolarHBondContact O-N 3.08Å; Y203-L312 CarbonylContact C-O 3.51Å; Y203-L312 VanDerWaalsContact CA-O 3.27Å; Y203-L312 WeakPolarHBondContact CA-O 3.44Å; Y203-L312 HydrophobicContact CD1-CB 3.64Å; Y203-L312 HydrophobicContact CD1-CD1 4.17Å; Y203-L312 HydrophobicContact CE1-CB 3.89Å; Y203-L312 HydrophobicContact CE1-CD1 3.52Å; Y203-L312 HydrophobicContact CE1-CG 4.27Å
204V98.4Very high95.5Very high0 Ų046.8 Ų46.80%027%0.268CS..EExtended strand (participates in β ladder)trans-115.3123.4161.4176.50000107.2I206 L273 I275 I298 L307 Y311 L312 L313 V314V204-I206 HydrophobicContact CG1-CD1 3.76Å; V204-L273 WeakPolarHBondContact CA-O 3.19Å; V204-I275 HydrophobicContact CG1-CD1 3.7Å; V204-I275 HydrophobicContact CG1-CG1 4.28Å; V204-I298 HydrophobicContact CG1-CD1 4.02Å; V204-I298 HydrophobicContact CG1-CG1 4.15Å; V204-I298 HydrophobicContact CG2-CG1 4.39Å; V204-I298 HydrophobicContact CG2-CG2 4.41Å; V204-L307 HydrophobicContact CG2-CD1 3.92Å; V204-L307 HydrophobicContact CG2-CD2 3.47Å; V204-L307 VanDerWaalsContact CG2-CD2 3.47Å; V204-L307 HydrophobicContact CG2-CG 4.37Å; V204-Y311 HydrophobicContact CB-CD2 4.4Å; V204-Y311 HydrophobicContact CG2-CD2 3.82Å; V204-Y311 HydrophobicContact CG2-CE2 4.11Å; V204-L312 PolarHBondContact N-O 2.99Å; V204-L313 HydrophobicContact CB-CG 4.33Å; V204-L313 HydrophobicContact CG1-CD1 4.31Å; V204-L313 HydrophobicContact CG1-CG 4.35Å; V204-L313 WeakPolarHBondContact O-CA 3.32Å; V204-V314 PolarHBondContact O-N 2.82Å
205I98.6Very high95.4Very high0 Ų050.6 Ų50.60%029%0.291CS..EExtended strand (participates in β ladder)trans-110.1114.5177.2-56.6177.8000108.2I207 T265 F268 A272 L273 I275 V314 H316 V319I205-I207 HydrophobicContact CG2-CD1 4.33Å; I205-I207 HydrophobicContact CG2-CG1 4.02Å; I205-T265 HydrophobicContact CD1-CG2 3.91Å; I205-F268 HydrophobicContact CD1-CB 3.59Å; I205-F268 HydrophobicContact CD1-CD1 4.13Å; I205-F268 HydrophobicContact CD1-CG 3.85Å; I205-A272 HydrophobicContact CD1-CB 3.64Å; I205-A272 HydrophobicContact CG1-CB 3.91Å; I205-L273 PolarHBondContact N-O 2.89Å; I205-I275 PolarHBondContact O-N 2.77Å; I205-V314 WeakPolarHBondContact CA-O 3.45Å; I205-V314 HydrophobicContact CB-CG2 4.35Å; I205-V314 HydrophobicContact CG1-CG2 3.74Å; I205-V314 HydrophobicContact CG2-CG2 4.44Å; I205-H316 HydrophobicContact CG2-CB 4.12Å; I205-V319 HydrophobicContact CD1-CG2 4.27Å; I205-V319 HydrophobicContact CG2-CG2 4.5Å
206I98.8Very high95.4Very high0 Ų050.7 Ų50.70%029%0.29CS..EExtended strand (participates in β ladder)trans-85.1125.9176.5-54.4-56.9000109.8V204 I275 F277 I298 L313 V314 H316 P325 L329 I333 W336V204-I206 HydrophobicContact CG1-CD1 3.76Å; I206-I275 HydrophobicContact CD1-CB 4.12Å; I206-I275 HydrophobicContact CD1-CD1 4.49Å; I206-F277 HydrophobicContact CG2-CD2 3.76Å; I206-F277 HydrophobicContact CG2-CE2 3.66Å; I206-I298 HydrophobicContact CD1-CD1 4.49Å; I206-L313 HydrophobicContact CG1-CD2 3.93Å; I206-L313 HydrophobicContact CG1-CG 4.26Å; I206-V314 PolarHBondContact N-O 3.43Å; I206-H316 PolarHBondContact O-N 2.97Å; I206-P325 HydrophobicContact CG2-CB 4.07Å; I206-P325 HydrophobicContact CG2-CG 4.38Å; I206-P325 WeakPolarHBondContact O-CB 2.97Å; I206-L329 HydrophobicContact CG2-CD2 4.08Å; I206-L329 HydrophobicContact CG2-CG 4.33Å; I206-I333 HydrophobicContact CB-CD1 3.71Å; I206-I333 HydrophobicContact CB-CG2 4.5Å; I206-I333 HydrophobicContact CG1-CD1 4Å; I206-I333 HydrophobicContact CG1-CG2 4.2Å; I206-I333 HydrophobicContact CG2-CD1 4.09Å; I206-I333 HydrophobicContact CG2-CG2 4.15Å; I206-W336 HydrophobicContact CD1-CZ3 4.38Å
207I98.8Very high95.3Very high2 Ų244.3 Ų44.31%0.0127%0.268CS..EExtended strand (participates in β ladder)trans-124.6154-173.5-61.5156.5000108.7I205 Y242 H264 I275 A276 F277 H316 S324I205-I207 HydrophobicContact CG2-CD1 4.33Å; I205-I207 HydrophobicContact CG2-CG1 4.02Å; I207-Y242 HydrophobicContact CB-CE1 4.49Å; I207-Y242 HydrophobicContact CD1-CD1 3.81Å; I207-Y242 HydrophobicContact CD1-CE1 4.02Å; I207-Y242 HydrophobicContact CG2-CD1 4.35Å; I207-Y242 HydrophobicContact CG2-CE1 3.7Å; I207-H264 HydrophobicContact CD1-CB 3.64Å; I207-I275 PolarHBondContact N-O 3.49Å; I207-A276 HydrophobicContact CB-CB 4.09Å; I207-A276 HydrophobicContact CG2-CB 4.15Å; I207-A276 CarbonylContact O-C 3.59Å; I207-A276 WeakPolarHBondContact O-CA 3.15Å; I207-F277 PolarHBondContact O-N 3.39Å; I207-H316 HydrophobicContact CG1-CB 3.92Å; I207-S324 WeakPolarHBondContact CA-OG 3.08Å
208H98.5Very high95.3Very high12 Ų1247.6 Ų47.66%0.05629%0.289CS..EExtended strand (participates in β ladder)trans-109.4152.3158.670.8-170.2000110.3A210 F277 F281 S324 P325 G326H208-A210 PolarHBondContact O-N 2.94Å; H208-F277 CarbonylContact C-O 3.52Å; H208-F277 WeakPolarHBondContact CA-O 3.44Å; H208-F281 HydrophobicContact CB-CD2 3.72Å; H208-F281 HydrophobicContact CB-CE2 4.32Å; H208-F281 PolarHBondContact ND1-N 3.44Å; H208-S324 PolarHBondContact N-OG 3.41Å; H208-S324 VanDerWaalsContact N-OG 3.08Å; H208-S324 WeakPolarHBondContact NE2-CA 3.4Å; H208-P325 WeakPolarHBondContact CB-O 3.4Å; H208-P325 VanDerWaalsContact CG-O 3.28Å; H208-P325 PolarHBondContact ND1-O 2.95Å; H208-G326 PolarHBondContact ND1-N 3.49Å
209T98.1Very high95.6Very high26 Ų2646.9 Ų46.916%0.1629%0.285CS..  trans-76.7-12.4176.560.60000112.5G211 I227 Y242 L245 A276 F277 I278 G279T209-G211 PolarHBondContact O-N 3.36Å; T209-I227 HydrophobicContact CG2-CD1 3.72Å; T209-Y242 HydrophobicContact CG2-CE2 4.17Å; T209-L245 HydrophobicContact CG2-CD2 4.23Å; T209-A276 HydrophobicContact CG2-CB 4.17Å; T209-F277 PolarHBondContact N-O 3.1Å; T209-I278 HydrophobicContact CG2-CG1 4.42Å; T209-I278 WeakPolarHBondContact OG1-CA 3.35Å; T209-G279 PolarHBondContact OG1-N 2.97Å
210A94.6Very high95.8Very high58 Ų5843.9 Ų43.948%0.47927%0.27SS..SBendtrans55.227.6-175.200000113.7H208 G279 Y280H208-A210 PolarHBondContact O-N 2.94Å; A210-G279 WeakPolarHBondContact CA-O 3.39Å; A210-G279 PolarHBondContact N-O 3.16Å; A210-Y280 HydrophobicContact CB-CD2 4.17Å
211G90.9Very high95.8Very high37 Ų3742.4 Ų42.438%0.38126%0.256SS..SBendtrans-122.1-160.9-18000000112.6T209 G279 Y280T209-G211 PolarHBondContact O-N 3.36Å; G211-G279 CarbonylContact O-C 3.26Å; G211-G279 VanDerWaalsContact O-C 3.26Å; G211-G279 VanDerWaalsContact O-CA 3.27Å; G211-G279 WeakPolarHBondContact O-CA 3.38Å; G211-Y280 PolarHBondContact O-N 2.88Å
212T91Very high95.9Very high118 Ų11845.3 Ų45.372%0.72428%0.275SS*.  trans-69.6131.9176.6-46.70000110.6
213S95.6Very high96.2Very high52 Ų5240.6 Ų40.636%0.36426%0.257SS..  trans-71.8159.4170.6-53.30000111.1G279S213-G279 VanDerWaalsContact OG-CA 3.31Å; S213-G279 WeakPolarHBondContact OG-CA 3.24Å
214C95.3Very high96.3Very high6 Ų639.3 Ų39.34%0.04125%0.251CS..  trans-131.6136.5175.4620000109.5D219 C220 V223 Q248C214-D219 HydrophobicContact CB-CB 4.3Å; C214-C220 VanDerWaalsContact C-SG 3.55Å; C214-C220 HydrophobicContact CB-CB 3.89Å; C214-C220 WeakPolarHBondContact CB-SG 3.47Å; C214-C220 PolarHBondContact O-SG 3.49Å; C214-C220 VanDerWaalsContact O-SG 3.37Å; C214-C220 WeakPolarHBondContact SG-CA 3.39Å; C214-C220 WeakPolarHBondContact SG-CB 3.42Å; C214-C220 CovalentContact SG-SG 2.03Å; C214-C220 PolarHBondContact SG-SG 2.9Å; C214-V223 HydrophobicContact CB-CG2 4.28Å; C214-Q248 WeakPolarHBondContact O-CA 3.5Å; C214-Q248 WeakPolarHBondContact O-CB 3.44Å; C214-Q248 PolarHBondContact O-N 2.98Å
215T93.2Very high96.3Very high98 Ų9842.4 Ų42.460%0.60126%0.263SS*.  trans-117.9-5.1-177.452.80000113.2Q248 D249T215-Q248 HydrophobicContact CG2-CB 3.7Å; T215-Q248 HydrophobicContact CG2-CG 4.44Å; T215-D249 WeakPolarHBondContact O-CB 3.3Å
216V93.6Very high96.3Very high72 Ų7247 Ų4744%0.43629%0.288SS..SBendtrans-121.5135.6178.9-177.80000107.8T218 D219 C220V216-T218 VanDerWaalsContact C-N 3.32Å; V216-T218 PolarHBondContact O-N 2.92Å; V216-D219 HydrophobicContact CB-CB 4.41Å; V216-D219 WeakPolarHBondContact O-CB 3.27Å; V216-D219 PolarHBondContact O-N 3.34Å; V216-C220 PolarHBondContact O-N 3.01Å
217S93.6Very high96.3Very high46 Ų4648.1 Ų48.132%0.32229%0.294SS..Hα-helixtrans-58-40.9-171.9-176.40000113.6D219 C220 Q221 D249 Y253S217-D219 VanDerWaalsContact C-N 3.3Å; S217-D219 PolarHBondContact O-N 2.77Å; S217-C220 PolarHBondContact O-N 3.18Å; S217-Q221 VanDerWaalsContact O-CG 3.28Å; S217-Q221 WeakPolarHBondContact O-CG 3.05Å; S217-Q221 PolarHBondContact O-N 2.95Å; S217-Q221 PolarHBondContact OG-NE2 3.09Å; S217-D249 VanDerWaalsContact CA-OD2 3.32Å; S217-D249 WeakPolarHBondContact CA-OD2 3.45Å; S217-Y253 WeakPolarHBondContact CA-OH 3.36Å; S217-Y253 PolarHBondContact O-OH 3.24Å; S217-Y253 PolarHBondContact OG-OH 3.32Å; S217-Y253 VanDerWaalsContact OG-OH 3.13Å
218T95.6Very high96.3Very high84 Ų8448.1 Ų48.152%0.51529%0.293SS..Hα-helixtrans-62.1-37.1177.150.20000112.7V216 T222V216-T218 VanDerWaalsContact C-N 3.32Å; V216-T218 PolarHBondContact O-N 2.92Å; T218-T222 PolarHBondContact O-N 3.2Å; T218-T222 PolarHBondContact O-OG1 3.02Å
219D97Very high96.3Very high83 Ų8349.4 Ų49.444%0.44430%0.304SS..Hα-helixtrans-71-41177.3-61.4-12.2000110C214 V216 S217 T222 V223C214-D219 HydrophobicContact CB-CB 4.3Å; V216-D219 HydrophobicContact CB-CB 4.41Å; V216-D219 WeakPolarHBondContact O-CB 3.27Å; V216-D219 PolarHBondContact O-N 3.34Å; S217-D219 VanDerWaalsContact C-N 3.3Å; S217-D219 PolarHBondContact O-N 2.77Å; D219-T222 WeakPolarHBondContact O-CB 2.96Å; D219-T222 PolarHBondContact O-N 3.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.45Å; D219-V223 PolarHBondContact O-N 2.83Å
220C97.8Very high96.3Very high0 Ų052.4 Ų52.40%032%0.315CS..Hα-helixtrans-62.6-42.4175.9-71.50000112.7C214 V216 S217 T222 V223 V224 D249 Y253C214-C220 VanDerWaalsContact C-SG 3.55Å; C214-C220 HydrophobicContact CB-CB 3.89Å; C214-C220 WeakPolarHBondContact CB-SG 3.47Å; C214-C220 PolarHBondContact O-SG 3.49Å; C214-C220 VanDerWaalsContact O-SG 3.37Å; C214-C220 WeakPolarHBondContact SG-CA 3.39Å; C214-C220 WeakPolarHBondContact SG-CB 3.42Å; C214-C220 CovalentContact SG-SG 2.03Å; C214-C220 PolarHBondContact SG-SG 2.9Å; V216-C220 PolarHBondContact O-N 3.01Å; S217-C220 PolarHBondContact O-N 3.18Å; C220-T222 VanDerWaalsContact C-N 3.27Å; C220-T222 PolarHBondContact O-N 3.08Å; C220-V223 PolarHBondContact O-N 2.03Å; C220-V224 VanDerWaalsContact O-CG2 3.25Å; C220-V224 WeakPolarHBondContact O-CG2 3.27Å; C220-V224 PolarHBondContact O-N 3.37Å; C220-D249 VanDerWaalsContact SG-CG 3.57Å; C220-D249 PolarHBondContact SG-OD1 3.44Å; C220-Y253 HydrophobicContact CB-CE1 4.06Å; C220-Y253 HydrophobicContact CB-CE2 3.61Å; C220-Y253 WeakPolarHBondContact CB-OH 3.38Å
221Q98.2Very high96.5Very high37 Ų3750.3 Ų50.317%0.17330%0.295CS..Hα-helixtrans-58-42.2173.4-67169.333.700111.3W187 S217 V224 R225 Y253W187-Q221 HydrophobicContact CB-CB 3.93Å; W187-Q221 HydrophobicContact CB-CG 4.11Å; S217-Q221 VanDerWaalsContact O-CG 3.28Å; S217-Q221 WeakPolarHBondContact O-CG 3.05Å; S217-Q221 PolarHBondContact O-N 2.95Å; S217-Q221 PolarHBondContact OG-NE2 3.09Å; Q221-V224 PolarHBondContact O-N 3.48Å; Q221-R225 WeakPolarHBondContact O-CB 3.44Å; Q221-R225 PolarHBondContact O-N 3.42Å; Q221-Y253 HydrophobicContact CG-CD1 4.42Å; Q221-Y253 HydrophobicContact CG-CE1 3.71Å
222T98Very high96.8Very high62 Ų6250.1 Ų50.138%0.3829%0.285SS..Hα-helixtrans-63.8-43.8176-58.20000111.6T218 D219 C220 R225 N226T218-T222 PolarHBondContact O-N 3.2Å; T218-T222 PolarHBondContact O-OG1 3.02Å; D219-T222 WeakPolarHBondContact O-CB 2.96Å; D219-T222 PolarHBondContact O-N 3.28Å; C220-T222 VanDerWaalsContact C-N 3.27Å; C220-T222 PolarHBondContact O-N 3.08Å; T222-R225 PolarHBondContact O-N 2.73Å; T222-N226 WeakPolarHBondContact O-CB 3.04Å; T222-N226 PolarHBondContact O-N 2.73Å; T222-N226 PolarHBondContact O-ND2 3.3Å
223V98.4Very high97.1Very high32 Ų3249 Ų4919%0.19427%0.274CS..Hα-helixtrans-63.5-44.7177.1172.90000111.4C214 D219 C220 R225 N226 I227 I278C214-V223 HydrophobicContact CB-CG2 4.28Å; D219-V223 WeakPolarHBondContact O-CG2 3.45Å; D219-V223 PolarHBondContact O-N 2.83Å; C220-V223 PolarHBondContact O-N 2.03Å; V223-R225 VanDerWaalsContact C-N 3.34Å; V223-R225 PolarHBondContact O-N 3.25Å; V223-N226 PolarHBondContact O-N 3.31Å; V223-I227 HydrophobicContact CG1-CD1 3.8Å; V223-I227 HydrophobicContact CG1-CG1 4.38Å; V223-I227 VanDerWaalsContact O-CG1 3.27Å; V223-I227 WeakPolarHBondContact O-CG1 3.31Å; V223-I227 PolarHBondContact O-N 2.7Å; V223-I278 HydrophobicContact CB-CG2 4.39Å; V223-I278 HydrophobicContact CG1-CG2 3.49Å; V223-I278 VanDerWaalsContact CG1-CG2 3.49Å
224V98.6Very high97.2Very high0 Ų051 Ų510%028%0.284CS..Hα-helixtrans-59.6-45177.1173.80000110.9W187 C220 Q221 N226 I227 Q228 I240 L245 Y253 I278W187-V224 HydrophobicContact CD2-CG1 3.74Å; W187-V224 HydrophobicContact CE3-CG1 3.96Å; W187-V224 HydrophobicContact CG-CG1 4.17Å; W187-V224 HydrophobicContact CH2-CG1 4.29Å; W187-V224 HydrophobicContact CZ2-CG1 4.08Å; W187-V224 HydrophobicContact CZ3-CG1 4.21Å; C220-V224 VanDerWaalsContact O-CG2 3.25Å; C220-V224 WeakPolarHBondContact O-CG2 3.27Å; C220-V224 PolarHBondContact O-N 3.37Å; Q221-V224 PolarHBondContact O-N 3.48Å; V224-N226 PolarHBondContact O-N 2.76Å; V224-I227 PolarHBondContact O-N 2.74Å; V224-Q228 PolarHBondContact O-N 3.29Å; V224-I240 HydrophobicContact CG1-CD1 4.06Å; V224-L245 HydrophobicContact CG1-CD1 4.37Å; V224-L245 HydrophobicContact CG2-CB 4.43Å; V224-L245 HydrophobicContact CG2-CD2 4.31Å; V224-Y253 HydrophobicContact CG2-CD1 4.06Å; V224-Y253 HydrophobicContact CG2-CD2 4.35Å; V224-Y253 HydrophobicContact CG2-CG 3.78Å; V224-I278 HydrophobicContact CG2-CD1 3.79Å
225R98.5Very high97.2Very high66 Ų6657.9 Ų57.925%0.24931%0.309CS..Hα-helixtrans-60.5-44.6175.8-169.7-176.3-58.6135.8-4.9112.1W187 E188 Q221 T222 V223 I227 Q228 S229W187-R225 HydrophobicContact CE3-CB 4.39Å; W187-R225 VanDerWaalsContact O-CZ 3.3Å; W187-R225 PolarHBondContact O-NE 3.24Å; W187-R225 PolarHBondContact O-NH2 2.03Å; E188-R225 VanDerWaalsContact CD-NH2 3.34Å; E188-R225 IonicContact OE2-CZ 2.7Å; E188-R225 IonicContact OE2-NE 3.6Å; E188-R225 IonicContact OE2-NH1 3.71Å; E188-R225 IonicContact OE2-NH2 2.76Å; E188-R225 PolarHBondContact OE2-NH2 3.22Å; Q221-R225 WeakPolarHBondContact O-CB 3.44Å; Q221-R225 PolarHBondContact O-N 3.42Å; T222-R225 PolarHBondContact O-N 2.73Å; V223-R225 VanDerWaalsContact C-N 3.34Å; V223-R225 PolarHBondContact O-N 3.25Å; R225-I227 VanDerWaalsContact C-N 3.31Å; R225-I227 PolarHBondContact O-N 2.69Å; R225-Q228 WeakPolarHBondContact O-CB 3.45Å; R225-Q228 PolarHBondContact O-N 3.19Å; R225-Q228 VanDerWaalsContact O-N 3.14Å; R225-S229 PolarHBondContact O-N 2.85Å; R225-S229 PolarHBondContact O-OG 3.08Å
226N98.2Very high97.3Very high96 Ų9659.9 Ų59.951%0.51332%0.317SS..Hα-helixtrans-63.6-37.1177.4-70.5-20.1000112.3T222 V223 V224 S229 F230T222-N226 WeakPolarHBondContact O-CB 3.04Å; T222-N226 PolarHBondContact O-N 2.73Å; T222-N226 PolarHBondContact O-ND2 3.3Å; V223-N226 PolarHBondContact O-N 3.31Å; V224-N226 PolarHBondContact O-N 2.76Å; N226-S229 PolarHBondContact O-N 3.3Å; N226-F230 WeakPolarHBondContact O-CB 3.25Å; N226-F230 PolarHBondContact O-N 2.98Å
227I98.7Very high97.5Very high24 Ų2459.7 Ų59.712%0.12331%0.31CS..Hα-helixtrans-64.5-42.1173.5-67164.7000110.3T209 V223 V224 R225 F230 H231 I240 Y242 L245T209-I227 HydrophobicContact CG2-CD1 3.72Å; V223-I227 HydrophobicContact CG1-CD1 3.8Å; V223-I227 HydrophobicContact CG1-CG1 4.38Å; V223-I227 VanDerWaalsContact O-CG1 3.27Å; V223-I227 WeakPolarHBondContact O-CG1 3.31Å; V223-I227 PolarHBondContact O-N 2.7Å; V224-I227 PolarHBondContact O-N 2.74Å; R225-I227 VanDerWaalsContact C-N 3.31Å; R225-I227 PolarHBondContact O-N 2.69Å; I227-F230 PolarHBondContact O-N 3.16Å; I227-H231 VanDerWaalsContact CG2-CE1 3.42Å; I227-H231 WeakPolarHBondContact CG2-CE1 3.49Å; I227-H231 WeakPolarHBondContact O-CB 3.15Å; I227-H231 PolarHBondContact O-N 3.17Å; I227-H231 PolarHBondContact O-ND1 2.99Å; I227-I240 HydrophobicContact CB-CD1 4.09Å; I227-I240 HydrophobicContact CG2-CD1 3.71Å; I227-I240 HydrophobicContact CG2-CG1 3.91Å; I227-Y242 HydrophobicContact CG2-CD2 4.45Å; I227-Y242 HydrophobicContact CG2-CE2 4.01Å; I227-L245 HydrophobicContact CD1-CD2 3.79Å
228Q98.6Very high97.7Very high1 Ų159.2 Ų59.21%0.00531%0.306CS..Hα-helixtrans-61.2-45.2174.2-171.1-170.15200111.4W187 R190 V224 R225 H231 M232 D239 I240W187-Q228 HydrophobicContact CH2-CB 4.27Å; W187-Q228 HydrophobicContact CH2-CG 4.33Å; W187-Q228 HydrophobicContact CZ3-CB 4.03Å; W187-Q228 HydrophobicContact CZ3-CG 4.35Å; R190-Q228 PolarHBondContact NH2-O 2.88Å; R190-Q228 PolarHBondContact O-NE2 3.02Å; V224-Q228 PolarHBondContact O-N 3.29Å; R225-Q228 WeakPolarHBondContact O-CB 3.45Å; R225-Q228 PolarHBondContact O-N 3.19Å; R225-Q228 VanDerWaalsContact O-N 3.14Å; Q228-H231 PolarHBondContact O-N 3.12Å; Q228-M232 HydrophobicContact CG-CG 4.35Å; Q228-M232 HydrophobicContact CG-SD 3.72Å; Q228-M232 WeakPolarHBondContact O-CG 3.3Å; Q228-M232 PolarHBondContact O-N 2.89Å; Q228-D239 PolarHBondContact NE2-OD1 2.96Å; Q228-I240 HydrophobicContact CB-CB 4.08Å; Q228-I240 HydrophobicContact CB-CD1 4.39Å; Q228-I240 HydrophobicContact CG-CB 4.13Å
229S98.4Very high97.8Very high39 Ų3955.2 Ų55.227%0.27328%0.282SS..Hα-helixtrans-56.7-50.9175.4-610000111.6R190 R225 N226 H231 M232 D233R190-S229 VanDerWaalsContact NH2-CA 3.33Å; R225-S229 PolarHBondContact O-N 2.85Å; R225-S229 PolarHBondContact O-OG 3.08Å; N226-S229 PolarHBondContact O-N 3.3Å; S229-H231 PolarHBondContact O-N 3.45Å; S229-M232 PolarHBondContact O-N 2.86Å; S229-D233 WeakPolarHBondContact O-CB 3.42Å; S229-D233 PolarHBondContact O-N 2.93Å
230F98.2Very high97.9Very high90 Ų9051.3 Ų51.340%0.39526%0.261SS..Iπ-helixtrans-58.4-45.5176.9175.6-109.5000112.8N226 I227 T234 R235N226-F230 WeakPolarHBondContact O-CB 3.25Å; N226-F230 PolarHBondContact O-N 2.98Å; I227-F230 PolarHBondContact O-N 3.16Å; F230-T234 HydrophobicContact CD2-CG2 4.14Å; F230-T234 HydrophobicContact CE2-CG2 3.85Å; F230-T234 WeakPolarHBondContact O-CA 3.25Å; F230-T234 WeakPolarHBondContact O-CB 3.41Å; F230-T234 PolarHBondContact O-N 3.12Å; F230-R235 HydrophobicContact CD1-CG 4.36Å; F230-R235 HydrophobicContact CE1-CG 3.9Å; F230-R235 HydrophobicContact CZ-CG 4.09Å; F230-R235 VanDerWaalsContact CZ-NE 3.29Å; F230-R235 PolarHBondContact O-N 3.24Å; F230-R235 VanDerWaalsContact O-N 3.14Å
231H98.5Very high97.9Very high13 Ų1351.3 Ų51.36%0.0626%0.261CS..Iπ-helixtrans-65.3-45.7-179-74.4159.2000113.2I227 Q228 S229 R235 N236 F237 G241 Y242I227-H231 VanDerWaalsContact CG2-CE1 3.42Å; I227-H231 WeakPolarHBondContact CG2-CE1 3.49Å; I227-H231 WeakPolarHBondContact O-CB 3.15Å; I227-H231 PolarHBondContact O-N 3.17Å; I227-H231 PolarHBondContact O-ND1 2.99Å; Q228-H231 PolarHBondContact O-N 3.12Å; S229-H231 PolarHBondContact O-N 3.45Å; H231-R235 CarbonylContact O-C 3.53Å; H231-R235 WeakPolarHBondContact O-CA 3.33Å; H231-R235 VanDerWaalsContact O-CB 3.27Å; H231-R235 WeakPolarHBondContact O-CB 3.5Å; H231-R235 PolarHBondContact O-N 2.97Å; H231-N236 PolarHBondContact O-N 2.87Å; H231-F237 HydrophobicContact CB-CB 4.25Å; H231-F237 HydrophobicContact CB-CD2 3.95Å; H231-F237 HydrophobicContact CB-CG 4.4Å; H231-F237 AromaticContact CG-CD2 3.98Å; H231-F237 WeakPolarHBondContact O-CB 3.41Å; H231-F237 PolarHBondContact O-N 2.96Å; H231-G241 PolarHBondContact ND1-N 2.89Å; H231-Y242 AromaticContact CE1-CE2 3.53Å; H231-Y242 AromaticContact CE1-CZ 3.81Å
232M98.3Very high97.9Very high34 Ų3450.9 Ų50.917%0.16726%0.258CS..Iπ-helixtrans-80.3-42.6-178.2-47.6169.464.900111.6R190 Q228 S229 N236 F237R190-M232 HydrophobicContact CB-SD 4.3Å; R190-M232 VanDerWaalsContact CZ-SD 3.53Å; R190-M232 PolarHBondContact NE-SD 3.24Å; R190-M232 VanDerWaalsContact NH2-CB 3.29Å; R190-M232 PolarHBondContact NH2-SD 3.21Å; Q228-M232 HydrophobicContact CG-CG 4.35Å; Q228-M232 HydrophobicContact CG-SD 3.72Å; Q228-M232 WeakPolarHBondContact O-CG 3.3Å; Q228-M232 PolarHBondContact O-N 2.89Å; S229-M232 PolarHBondContact O-N 2.86Å; M232-N236 WeakPolarHBondContact O-CA 3.39Å; M232-N236 PolarHBondContact O-N 3.48Å; M232-F237 WeakPolarHBondContact CA-O 3.39Å
233D97.9Very high97.9Very high95 Ų9548 Ų4851%0.50824%0.24SC..Iπ-helixtrans-84.3-30.2-169-50.8-19.8000111.9R190 S229R190-D233 IonicContact CZ-OD1 3.03Å; R190-D233 IonicContact NH1-OD1 3.13Å; R190-D233 PolarHBondContact NH1-OD1 3.25Å; R190-D233 IonicContact NH1-OD2 3.35Å; R190-D233 IonicContact NH2-OD1 2.72Å; R190-D233 PolarHBondContact NH2-OD1 3.36Å; R190-D233 IonicContact NH2-OD2 3.51Å; S229-D233 WeakPolarHBondContact O-CB 3.42Å; S229-D233 PolarHBondContact O-N 2.93Å
234T97.5Very high98Very high93 Ų9346.5 Ų46.557%0.57123%0.231SC*.Iπ-helixtrans-107.8-35.5-177.4-46.70000112.8F230F230-T234 HydrophobicContact CD2-CG2 4.14Å; F230-T234 HydrophobicContact CE2-CG2 3.85Å; F230-T234 WeakPolarHBondContact O-CA 3.25Å; F230-T234 WeakPolarHBondContact O-CB 3.41Å; F230-T234 PolarHBondContact O-N 3.12Å
235R94.8Very high98Very high151 Ų15146.5 Ų46.557%0.5723%0.231SC*.THydrogen-bonded Turntrans-99-2.7-179.2-57.4-68.7-167.3147.51.6113.7F230 H231 F237F230-R235 HydrophobicContact CD1-CG 4.36Å; F230-R235 HydrophobicContact CE1-CG 3.9Å; F230-R235 HydrophobicContact CZ-CG 4.09Å; F230-R235 VanDerWaalsContact CZ-NE 3.29Å; F230-R235 PolarHBondContact O-N 3.24Å; F230-R235 VanDerWaalsContact O-N 3.14Å; H231-R235 CarbonylContact O-C 3.53Å; H231-R235 WeakPolarHBondContact O-CA 3.33Å; H231-R235 VanDerWaalsContact O-CB 3.27Å; H231-R235 WeakPolarHBondContact O-CB 3.5Å; H231-R235 PolarHBondContact O-N 2.97Å; R235-F237 HydrophobicContact CB-CD1 3.81Å; R235-F237 HydrophobicContact CB-CD2 4.47Å; R235-F237 HydrophobicContact CB-CE1 3.81Å; R235-F237 HydrophobicContact CB-CE2 4.48Å; R235-F237 HydrophobicContact CB-CG 4.16Å; R235-F237 HydrophobicContact CB-CZ 4.17Å; R235-F237 VanDerWaalsContact O-CD1 3.26Å; R235-F237 WeakPolarHBondContact O-CD1 3.47Å; R235-F237 PolarHBondContact O-N 2.9Å
236N95.6Very high98Very high140 Ų14043.3 Ų43.375%0.74922%0.219SC*.  trans54.631.8-176.9-62.6-24.7000113.3H231 M232H231-N236 PolarHBondContact O-N 2.87Å; M232-N236 WeakPolarHBondContact O-CA 3.39Å; M232-N236 PolarHBondContact O-N 3.48Å
237F97.6Very high98Very high67 Ų6738.8 Ų38.829%0.29420%0.195SC..  trans-76152.3173-67.70.8000109.9H231 M232 R235 D239 S263H231-F237 HydrophobicContact CB-CB 4.25Å; H231-F237 HydrophobicContact CB-CD2 3.95Å; H231-F237 HydrophobicContact CB-CG 4.4Å; H231-F237 AromaticContact CG-CD2 3.98Å; H231-F237 WeakPolarHBondContact O-CB 3.41Å; H231-F237 PolarHBondContact O-N 2.96Å; M232-F237 WeakPolarHBondContact CA-O 3.39Å; R235-F237 HydrophobicContact CB-CD1 3.81Å; R235-F237 HydrophobicContact CB-CD2 4.47Å; R235-F237 HydrophobicContact CB-CE1 3.81Å; R235-F237 HydrophobicContact CB-CE2 4.48Å; R235-F237 HydrophobicContact CB-CG 4.16Å; R235-F237 HydrophobicContact CB-CZ 4.17Å; R235-F237 VanDerWaalsContact O-CD1 3.26Å; R235-F237 WeakPolarHBondContact O-CD1 3.47Å; R235-F237 PolarHBondContact O-N 2.9Å; F237-D239 VanDerWaalsContact CB-O 3.24Å; F237-D239 WeakPolarHBondContact CB-O 3.43Å; F237-D239 PolarHBondContact O-N 2.88Å; F237-S263 VanDerWaalsContact CE2-O 3.27Å; F237-S263 WeakPolarHBondContact CE2-O 3.42Å
238C96.7Very high97.8Very high37 Ų3738.8 Ų38.825%0.2519%0.194CC..SBendtrans-67.4-16.1177.351.60000113.5H193 C194H193-C238 PolarHBondContact N-O 3.31Å; C194-C238 WeakPolarHBondContact CA-SG 3.39Å; C194-C238 HydrophobicContact CB-CB 3.96Å; C194-C238 WeakPolarHBondContact CB-SG 3.11Å; C194-C238 WeakPolarHBondContact SG-CB 3.48Å; C194-C238 CovalentContact SG-SG 2.03Å; C194-C238 PolarHBondContact SG-SG 3.15Å
239D98.6Very high97.6Very high0 Ų041 Ų410%021%0.206CC..SBendtrans-169.8-170.8176.2-160.6-5.2000110.2R184 T192 C194 Q228 F237 G241 V256R184-D239 IonicContact CZ-OD2 3.13Å; R184-D239 IonicContact NH1-OD1 2.79Å; R184-D239 IonicContact NH1-OD2 3.74Å; R184-D239 PolarHBondContact NH1-OD2 2.78Å; R184-D239 IonicContact NH2-OD1 3.3Å; R184-D239 PolarHBondContact NH2-OD1 3.19Å; R184-D239 IonicContact NH2-OD2 2.76Å; R184-D239 PolarHBondContact NH2-OD2 3.37Å; T192-D239 WeakPolarHBondContact CB-OD2 3.35Å; T192-D239 WeakPolarHBondContact OG1-CB 3.4Å; T192-D239 PolarHBondContact OG1-OD2 3.1Å; T192-D239 VanDerWaalsContact OG1-OD2 3.12Å; C194-D239 VanDerWaalsContact SG-CB 3.58Å; Q228-D239 PolarHBondContact NE2-OD1 2.96Å; F237-D239 VanDerWaalsContact CB-O 3.24Å; F237-D239 WeakPolarHBondContact CB-O 3.43Å; F237-D239 PolarHBondContact O-N 2.88Å; D239-G241 PolarHBondContact O-N 2.9Å; D239-V256 HydrophobicContact CB-CG1 3.8Å
240I98.6Very high97.4Very high0 Ų040.2 Ų40.20%021%0.205CC..  trans-54126.3163-169.9160.2000110.7V224 I227 Q228 Y242 L245 V256V224-I240 HydrophobicContact CG1-CD1 4.06Å; I227-I240 HydrophobicContact CB-CD1 4.09Å; I227-I240 HydrophobicContact CG2-CD1 3.71Å; I227-I240 HydrophobicContact CG2-CG1 3.91Å; Q228-I240 HydrophobicContact CB-CB 4.08Å; Q228-I240 HydrophobicContact CB-CD1 4.39Å; Q228-I240 HydrophobicContact CG-CB 4.13Å; I240-Y242 HydrophobicContact CG1-CD2 4.3Å; I240-Y242 PolarHBondContact O-N 2.95Å; I240-Y242 VanDerWaalsContact O-N 3.12Å; I240-L245 HydrophobicContact CD1-CD1 3.64Å; I240-L245 HydrophobicContact CD1-CD2 4.06Å; I240-L245 HydrophobicContact CG1-CD1 4.39Å; I240-V256 VanDerWaalsContact O-CG1 3.25Å; I240-V256 WeakPolarHBondContact O-CG1 3.44Å
241G97.7Very high97.2Very high1 Ų136.4 Ų36.41%0.0119%0.191CC..SBendtrans-67.7-14.5-170.100000116.4H231 D239 S263 H264H231-G241 PolarHBondContact ND1-N 2.89Å; D239-G241 PolarHBondContact O-N 2.9Å; G241-S263 CarbonylContact O-C 3.58Å; G241-S263 PolarHBondContact O-N 3.07Å; G241-H264 WeakPolarHBondContact O-CB 3.3Å; G241-H264 PolarHBondContact O-CD2 3.41Å; G241-H264 VanDerWaalsContact O-CD2 3.29Å; G241-H264 PolarHBondContact O-N 2.98Å
242Y98.7Very high97.2Very high28 Ų2835.9 Ų35.911%0.1119%0.188CC..  trans-99.9148.9-174.1-44.8-60.3000111.8I207 T209 I227 H231 I240 L245 G255 V256 H264 A276I207-Y242 HydrophobicContact CB-CE1 4.49Å; I207-Y242 HydrophobicContact CD1-CD1 3.81Å; I207-Y242 HydrophobicContact CD1-CE1 4.02Å; I207-Y242 HydrophobicContact CG2-CD1 4.35Å; I207-Y242 HydrophobicContact CG2-CE1 3.7Å; T209-Y242 HydrophobicContact CG2-CE2 4.17Å; I227-Y242 HydrophobicContact CG2-CD2 4.45Å; I227-Y242 HydrophobicContact CG2-CE2 4.01Å; H231-Y242 AromaticContact CE1-CE2 3.53Å; H231-Y242 AromaticContact CE1-CZ 3.81Å; I240-Y242 HydrophobicContact CG1-CD2 4.3Å; I240-Y242 PolarHBondContact O-N 2.95Å; I240-Y242 VanDerWaalsContact O-N 3.12Å; Y242-L245 HydrophobicContact CD2-CD1 4.38Å; Y242-L245 HydrophobicContact CD2-CD2 3.85Å; Y242-L245 HydrophobicContact CD2-CG 4.02Å; Y242-L245 HydrophobicContact CE2-CD2 4.38Å; Y242-G255 WeakPolarHBondContact O-CA 3.35Å; Y242-V256 PolarHBondContact O-N 2.94Å; Y242-H264 HydrophobicContact CD1-CB 3.72Å; Y242-H264 HydrophobicContact CE1-CB 4.1Å; Y242-A276 HydrophobicContact CD1-CB 3.77Å; Y242-A276 HydrophobicContact CD2-CB 3.62Å; Y242-A276 HydrophobicContact CE1-CB 4.09Å; Y242-A276 HydrophobicContact CE2-CB 3.9Å; Y242-A276 HydrophobicContact CG-CB 3.53Å
243H98.8Very high97.3Very high0 Ų034.3 Ų34.30%018%0.181CC..SBendtrans-71.8-46.4174.7-67.472.4000110.4G255 V256 G257 H264 A272 L273 G274H243-G255 CarbonylContact O-C 3.59Å; H243-G255 VanDerWaalsContact O-CA 3.25Å; H243-G255 WeakPolarHBondContact O-CA 3.26Å; H243-G255 PolarHBondContact O-N 3.46Å; H243-V256 HydrophobicContact CB-CG2 4.33Å; H243-G257 PolarHBondContact CD2-O 3.47Å; H243-G257 PolarHBondContact O-N 3.36Å; H243-G257 VanDerWaalsContact O-N 3.17Å; H243-H264 AromaticContact CE1-CD2 3.8Å; H243-H264 AromaticContact CE1-NE2 3.23Å; H243-H264 PolarHBondContact CE1-NE2 2.88Å; H243-H264 AromaticContact ND1-CD2 3.52Å; H243-H264 AromaticContact ND1-NE2 3.24Å; H243-H264 PolarHBondContact ND1-NE2 3.25Å; H243-A272 PolarHBondContact CE1-O 3.2Å; H243-L273 HydrophobicContact CB-CD2 4.48Å; H243-G274 WeakPolarHBondContact CB-O 3.5Å; H243-G274 PolarHBondContact N-O 3.37Å; H243-G274 PolarHBondContact ND1-N 3.03Å
244F98.9Very high97.3Very high1 Ų131.9 Ų31.90%0.00417%0.166CC..EExtended strand (participates in β ladder)trans-139.4151.9176.7-62.6-82.2000111.1I181 V252 Y253 E254 W258 G274 I275 A276 L297I181-F244 HydrophobicContact CD1-CE1 4.11Å; I181-F244 HydrophobicContact CG2-CD1 4.33Å; I181-F244 HydrophobicContact CG2-CE1 3.99Å; F244-V252 HydrophobicContact CB-CG1 4.2Å; F244-V252 HydrophobicContact CD1-CG1 3.91Å; F244-V252 HydrophobicContact CG-CG1 4.34Å; F244-Y253 WeakPolarHBondContact CA-O 3.26Å; F244-E254 HydrophobicContact CE1-CB 4.37Å; F244-E254 HydrophobicContact CE1-CG 4.17Å; F244-W258 HydrophobicContact CD2-CH2 4.22Å; F244-W258 HydrophobicContact CD2-CZ3 4.15Å; F244-W258 HydrophobicContact CE1-CZ2 4.14Å; F244-W258 AromaticContact CE2-CD2 3.58Å; F244-W258 HydrophobicContact CE2-CD2 3.58Å; F244-W258 AromaticContact CE2-CE2 3.74Å; F244-W258 AromaticContact CE2-CE3 3.38Å; F244-W258 HydrophobicContact CE2-CE3 3.38Å; F244-W258 HydrophobicContact CE2-CG 4.39Å; F244-W258 AromaticContact CE2-CH2 3.55Å; F244-W258 HydrophobicContact CE2-CH2 3.55Å; F244-W258 AromaticContact CE2-CZ2 3.75Å; F244-W258 HydrophobicContact CE2-CZ2 3.75Å; F244-W258 AromaticContact CE2-CZ3 3.35Å; F244-W258 HydrophobicContact CE2-CZ3 3.35Å; F244-W258 AromaticContact CZ-CD2 3.38Å; F244-W258 HydrophobicContact CZ-CD2 3.38Å; F244-W258 AromaticContact CZ-CE2 3.22Å; F244-W258 AromaticContact CZ-CE3 3.74Å; F244-W258 HydrophobicContact CZ-CE3 3.74Å; F244-W258 AromaticContact CZ-CG 3.93Å; F244-W258 HydrophobicContact CZ-CG 3.93Å; F244-W258 AromaticContact CZ-CH2 3.81Å; F244-W258 HydrophobicContact CZ-CH2 3.81Å; F244-W258 AromaticContact CZ-CZ2 3.47Å; F244-W258 HydrophobicContact CZ-CZ2 3.47Å; F244-W258 VanDerWaalsContact CZ-CZ2 3.47Å; F244-W258 AromaticContact CZ-CZ3 3.93Å; F244-W258 HydrophobicContact CZ-CZ3 3.93Å; F244-W258 AromaticContact CZ-NE1 3.67Å; F244-G274 PolarHBondContact N-O 2.77Å; F244-I275 WeakPolarHBondContact O-CA 3.4Å; F244-A276 PolarHBondContact O-N 3.33Å; F244-L297 HydrophobicContact CB-CD2 3.6Å; F244-L297 HydrophobicContact CD1-CD1 4.43Å; F244-L297 HydrophobicContact CD1-CD2 4.29Å; F244-L297 HydrophobicContact CD2-CD2 3.97Å; F244-L297 HydrophobicContact CG-CD1 4.45Å; F244-L297 HydrophobicContact CG-CD2 3.67Å
245L98.9Very high97.4Very high0 Ų027.5 Ų27.50%014%0.139CC..EExtended strand (participates in β ladder)trans-121.6146.9172.5-58.389.2000110.2T209 V224 I227 I240 Y242 V252 Y253 A276 I278T209-L245 HydrophobicContact CG2-CD2 4.23Å; V224-L245 HydrophobicContact CG1-CD1 4.37Å; V224-L245 HydrophobicContact CG2-CB 4.43Å; V224-L245 HydrophobicContact CG2-CD2 4.31Å; I227-L245 HydrophobicContact CD1-CD2 3.79Å; I240-L245 HydrophobicContact CD1-CD1 3.64Å; I240-L245 HydrophobicContact CD1-CD2 4.06Å; I240-L245 HydrophobicContact CG1-CD1 4.39Å; Y242-L245 HydrophobicContact CD2-CD1 4.38Å; Y242-L245 HydrophobicContact CD2-CD2 3.85Å; Y242-L245 HydrophobicContact CD2-CG 4.02Å; Y242-L245 HydrophobicContact CE2-CD2 4.38Å; L245-V252 CarbonylContact O-C 3.48Å; L245-Y253 PolarHBondContact N-O 3.24Å; L245-Y253 PolarHBondContact O-N 3.49Å; L245-A276 CarbonylContact C-O 3.49Å; L245-A276 WeakPolarHBondContact CA-O 3.36Å; L245-A276 HydrophobicContact CG-CB 4.3Å; L245-I278 HydrophobicContact CB-CD1 4.03Å; L245-I278 HydrophobicContact CB-CG1 3.98Å; L245-I278 HydrophobicContact CD2-CG1 4.2Å
246V98.8Very high97.5Very high0 Ų020.7 Ų20.70%011%0.114CC..EExtended strand (participates in β ladder)trans-125.1120.4-179-172.60000110.4G251 V252 I275 A276 F277 I278 A290 A293 A294V246-G251 WeakPolarHBondContact CA-O 3.43Å; V246-V252 HydrophobicContact CG2-CG2 4.48Å; V246-I275 HydrophobicContact CG2-CG2 3.92Å; V246-A276 PolarHBondContact N-O 3.39Å; V246-F277 HydrophobicContact CB-CD1 4.37Å; V246-F277 HydrophobicContact CG1-CE1 4.46Å; V246-I278 PolarHBondContact O-N 2.97Å; V246-A290 HydrophobicContact CG1-CB 3.95Å; V246-A290 WeakPolarHBondContact CG1-O 3.42Å; V246-A293 HydrophobicContact CG1-CB 4.03Å; V246-A294 HydrophobicContact CG2-CB 4.27Å
247G97.4Very high97.6Very high0 Ų014 Ų140%08%0.079CC..  trans-87.4162.917800000113D249 G250 G251 A290G247-D249 VanDerWaalsContact C-OD1 3.32Å; G247-D249 VanDerWaalsContact CA-OD1 3.26Å; G247-D249 WeakPolarHBondContact CA-OD1 3.43Å; G247-D249 PolarHBondContact O-N 3.09Å; G247-G250 PolarHBondContact O-N 3.08Å; G247-G250 VanDerWaalsContact O-N 3.1Å; G247-G251 PolarHBondContact N-O 3.19Å; G247-G251 VanDerWaalsContact N-O 3.09Å; G247-A290 WeakPolarHBondContact O-CB 3.22Å
248Q95.1Very high97.6Very high25 Ų2512 Ų1212%0.1177%0.07CC..THydrogen-bonded Turntrans-71.1-8.4171-57.8-74.4-43.400111.8C214 T215 G250 N287C214-Q248 WeakPolarHBondContact O-CA 3.5Å; C214-Q248 WeakPolarHBondContact O-CB 3.44Å; C214-Q248 PolarHBondContact O-N 2.98Å; T215-Q248 HydrophobicContact CG2-CB 3.7Å; T215-Q248 HydrophobicContact CG2-CG 4.44Å; Q248-G250 PolarHBondContact O-N 2.88Å; Q248-N287 PolarHBondContact O-ND2 3.14Å; Q248-N287 VanDerWaalsContact OE1-CB 3.27Å; Q248-N287 PolarHBondContact OE1-ND2 2.61Å; Q248-N287 PolarHBondContact OE1-OD1 2.79Å
249D95.3Very high97.7Very high46 Ų4615.4 Ų15.425%0.2468%0.082CC..THydrogen-bonded Turntrans-72.5-6.1167.867.3-26.1000112.9T215 S217 C220 G247 G251 Y253T215-D249 WeakPolarHBondContact O-CB 3.3Å; S217-D249 VanDerWaalsContact CA-OD2 3.32Å; S217-D249 WeakPolarHBondContact CA-OD2 3.45Å; C220-D249 VanDerWaalsContact SG-CG 3.57Å; C220-D249 PolarHBondContact SG-OD1 3.44Å; G247-D249 VanDerWaalsContact C-OD1 3.32Å; G247-D249 VanDerWaalsContact CA-OD1 3.26Å; G247-D249 WeakPolarHBondContact CA-OD1 3.43Å; G247-D249 PolarHBondContact O-N 3.09Å; D249-G251 VanDerWaalsContact C-N 3.26Å; D249-G251 PolarHBondContact OD1-N 3.33Å; D249-Y253 PolarHBondContact OD2-OH 3Å
250G94.1Very high97.6Very high24 Ų2416.8 Ų16.825%0.2479%0.09CC..SBendtrans797.2-173.500000113.5G247 Q248 A293G247-G250 PolarHBondContact O-N 3.08Å; G247-G250 VanDerWaalsContact O-N 3.1Å; Q248-G250 PolarHBondContact O-N 2.88Å; G250-A293 VanDerWaalsContact O-CB 3.3Å; G250-A293 WeakPolarHBondContact O-CB 3.22Å
251G94.5Very high97.6Very high10 Ų1019.1 Ų19.110%0.10310%0.101CC..  trans-80.3138.9178.900000112.3V246 G247 D249 Y253V246-G251 WeakPolarHBondContact CA-O 3.43Å; G247-G251 PolarHBondContact N-O 3.19Å; G247-G251 VanDerWaalsContact N-O 3.09Å; D249-G251 VanDerWaalsContact C-N 3.26Å; D249-G251 PolarHBondContact OD1-N 3.33Å; G251-Y253 WeakPolarHBondContact O-CD2 3.43Å; G251-Y253 WeakPolarHBondContact O-CE2 3.29Å
252V98.6Very high97.4Very high2 Ų219 Ų191%0.01210%0.1CC..EExtended strand (participates in β ladder)trans-99.3115.9168-179.60000109.3P179 I181 I182 F244 L245 V246 A293 L297P179-V252 HydrophobicContact CB-CG2 4.22Å; P179-V252 HydrophobicContact CG-CG2 4.2Å; I181-V252 CarbonylContact C-O 3.45Å; I181-V252 HydrophobicContact CG1-CG1 4.24Å; I182-V252 WeakPolarHBondContact CD1-O 3.05Å; I182-V252 PolarHBondContact N-O 3.24Å; F244-V252 HydrophobicContact CB-CG1 4.2Å; F244-V252 HydrophobicContact CD1-CG1 3.91Å; F244-V252 HydrophobicContact CG-CG1 4.34Å; L245-V252 CarbonylContact O-C 3.48Å; V246-V252 HydrophobicContact CG2-CG2 4.48Å; V252-A293 HydrophobicContact CG2-CB 3.95Å; V252-L297 HydrophobicContact CG1-CD1 3.96Å; V252-L297 HydrophobicContact CG1-CD2 3.68Å; V252-L297 HydrophobicContact CG1-CG 4.33Å; V252-L297 HydrophobicContact CG2-CB 4.47Å
253Y98.8Very high97.4Very high0 Ų019.2 Ų19.20%011%0.105CC..EExtended strand (participates in β ladder)trans-100.3123.1-178.8-62.6-91.4000109.9I182 S217 C220 Q221 V224 F244 L245 D249 G251 G255 I278I182-Y253 HydrophobicContact CB-CD1 3.9Å; I182-Y253 HydrophobicContact CB-CE1 4.11Å; I182-Y253 HydrophobicContact CD1-CD1 4.26Å; I182-Y253 HydrophobicContact CD1-CE1 3.94Å; I182-Y253 HydrophobicContact CD1-CE2 4.22Å; I182-Y253 HydrophobicContact CG1-CD1 4.47Å; I182-Y253 HydrophobicContact CG1-CE1 4.22Å; I182-Y253 HydrophobicContact CG2-CD1 3.82Å; I182-Y253 HydrophobicContact CG2-CE1 3.93Å; S217-Y253 WeakPolarHBondContact CA-OH 3.36Å; S217-Y253 PolarHBondContact O-OH 3.24Å; S217-Y253 PolarHBondContact OG-OH 3.32Å; S217-Y253 VanDerWaalsContact OG-OH 3.13Å; C220-Y253 HydrophobicContact CB-CE1 4.06Å; C220-Y253 HydrophobicContact CB-CE2 3.61Å; C220-Y253 WeakPolarHBondContact CB-OH 3.38Å; Q221-Y253 HydrophobicContact CG-CD1 4.42Å; Q221-Y253 HydrophobicContact CG-CE1 3.71Å; V224-Y253 HydrophobicContact CG2-CD1 4.06Å; V224-Y253 HydrophobicContact CG2-CD2 4.35Å; V224-Y253 HydrophobicContact CG2-CG 3.78Å; F244-Y253 WeakPolarHBondContact CA-O 3.26Å; L245-Y253 PolarHBondContact N-O 3.24Å; L245-Y253 PolarHBondContact O-N 3.49Å; D249-Y253 PolarHBondContact OD2-OH 3Å; G251-Y253 WeakPolarHBondContact O-CD2 3.43Å; G251-Y253 WeakPolarHBondContact O-CE2 3.29Å; Y253-G255 PolarHBondContact O-N 2.93Å; Y253-I278 HydrophobicContact CD2-CD1 4.32Å
254E98.8Very high97.2Very high45 Ų4520 Ų2021%0.2111%0.109CC..EExtended strand (participates in β ladder)trans-66.9114.3176.3-171.1179.8-151.800109.8I181 I182 K183 R184 W187 F244I181-E254 HydrophobicContact CG2-CB 3.82Å; I182-E254 WeakPolarHBondContact O-CB 3.4Å; I182-E254 PolarHBondContact O-N 3.5Å; K183-E254 VanDerWaalsContact CA-OE2 3.3Å; K183-E254 WeakPolarHBondContact CA-OE2 3.46Å; R184-E254 HydrophobicContact CG-CB 4.16Å; R184-E254 HydrophobicContact CG-CG 3.87Å; R184-E254 WeakPolarHBondContact CG-OE2 3Å; R184-E254 PolarHBondContact N-OE2 2.94Å; W187-E254 VanDerWaalsContact CE2-O 3.31Å; W187-E254 WeakPolarHBondContact CZ2-O 3.47Å; W187-E254 PolarHBondContact NE1-O 2.82Å; F244-E254 HydrophobicContact CE1-CB 4.37Å; F244-E254 HydrophobicContact CE1-CG 4.17Å
255G98.7Very high97Very high0 Ų020 Ų200%011%0.109CC..SBendtrans-83.7-123167.700000109.5R184 Y242 H243 Y253 G257R184-G255 WeakPolarHBondContact CD-O 3.43Å; R184-G255 VanDerWaalsContact NH1-C 3.34Å; R184-G255 PolarHBondContact NH1-O 3.47Å; Y242-G255 WeakPolarHBondContact O-CA 3.35Å; H243-G255 CarbonylContact O-C 3.59Å; H243-G255 VanDerWaalsContact O-CA 3.25Å; H243-G255 WeakPolarHBondContact O-CA 3.26Å; H243-G255 PolarHBondContact O-N 3.46Å; Y253-G255 PolarHBondContact O-N 2.93Å; G255-G257 PolarHBondContact O-N 3.08Å; G255-G257 VanDerWaalsContact O-N 3.16Å
256V98.3Very high96.4Very high8 Ų830 Ų305%0.04815%0.148CC..SBendtrans-63.5-15.4171.2-68.30000113.1D239 I240 Y242 H243 V260D239-V256 HydrophobicContact CB-CG1 3.8Å; I240-V256 VanDerWaalsContact O-CG1 3.25Å; I240-V256 WeakPolarHBondContact O-CG1 3.44Å; Y242-V256 PolarHBondContact O-N 2.94Å; H243-V256 HydrophobicContact CB-CG2 4.33Å; V256-V260 HydrophobicContact CB-CB 4.01Å; V256-V260 HydrophobicContact CB-CG1 3.94Å; V256-V260 HydrophobicContact CG1-CG1 4.22Å; V256-V260 WeakPolarHBondContact CG2-O 3.27Å; V256-V260 WeakPolarHBondContact O-CB 3.24Å
257G97.8Very high95.9Very high1 Ų132.5 Ų32.51%0.0117%0.174CC..  trans77.2-161.8176.900000112.5H243 G255H243-G257 PolarHBondContact CD2-O 3.47Å; H243-G257 PolarHBondContact O-N 3.36Å; H243-G257 VanDerWaalsContact O-N 3.17Å; G255-G257 PolarHBondContact O-N 3.08Å; G255-G257 VanDerWaalsContact O-N 3.16Å
258W97.8Very high95.6Very high24 Ų2434.2 Ų34.29%0.09118%0.182CC..SBendtrans-76.6-36.6-170.7-56.5114.3000114.8I181 F244 L273 L297 A301 Y306I181-W258 HydrophobicContact CD1-CZ2 3.72Å; F244-W258 HydrophobicContact CD2-CH2 4.22Å; F244-W258 HydrophobicContact CD2-CZ3 4.15Å; F244-W258 HydrophobicContact CE1-CZ2 4.14Å; F244-W258 AromaticContact CE2-CD2 3.58Å; F244-W258 HydrophobicContact CE2-CD2 3.58Å; F244-W258 AromaticContact CE2-CE2 3.74Å; F244-W258 AromaticContact CE2-CE3 3.38Å; F244-W258 HydrophobicContact CE2-CE3 3.38Å; F244-W258 HydrophobicContact CE2-CG 4.39Å; F244-W258 AromaticContact CE2-CH2 3.55Å; F244-W258 HydrophobicContact CE2-CH2 3.55Å; F244-W258 AromaticContact CE2-CZ2 3.75Å; F244-W258 HydrophobicContact CE2-CZ2 3.75Å; F244-W258 AromaticContact CE2-CZ3 3.35Å; F244-W258 HydrophobicContact CE2-CZ3 3.35Å; F244-W258 AromaticContact CZ-CD2 3.38Å; F244-W258 HydrophobicContact CZ-CD2 3.38Å; F244-W258 AromaticContact CZ-CE2 3.22Å; F244-W258 AromaticContact CZ-CE3 3.74Å; F244-W258 HydrophobicContact CZ-CE3 3.74Å; F244-W258 AromaticContact CZ-CG 3.93Å; F244-W258 HydrophobicContact CZ-CG 3.93Å; F244-W258 AromaticContact CZ-CH2 3.81Å; F244-W258 HydrophobicContact CZ-CH2 3.81Å; F244-W258 AromaticContact CZ-CZ2 3.47Å; F244-W258 HydrophobicContact CZ-CZ2 3.47Å; F244-W258 VanDerWaalsContact CZ-CZ2 3.47Å; F244-W258 AromaticContact CZ-CZ3 3.93Å; F244-W258 HydrophobicContact CZ-CZ3 3.93Å; F244-W258 AromaticContact CZ-NE1 3.67Å; W258-L273 HydrophobicContact CE3-CD1 4.18Å; W258-L273 HydrophobicContact CE3-CD2 4.27Å; W258-L273 HydrophobicContact CZ3-CD1 3.77Å; W258-L297 HydrophobicContact CH2-CD1 3.42Å; W258-L297 VanDerWaalsContact CH2-CD1 3.42Å; W258-L297 HydrophobicContact CH2-CG 3.97Å; W258-L297 HydrophobicContact CZ2-CD1 3.54Å; W258-A301 HydrophobicContact CE3-CB 4.46Å; W258-A301 HydrophobicContact CH2-CB 3.73Å; W258-A301 HydrophobicContact CZ3-CB 3.51Å; W258-Y306 HydrophobicContact CB-CD1 3.66Å; W258-Y306 HydrophobicContact CB-CD2 4.24Å; W258-Y306 HydrophobicContact CB-CE1 3.73Å; W258-Y306 HydrophobicContact CB-CE2 4.3Å; W258-Y306 HydrophobicContact CB-CG 3.94Å; W258-Y306 AromaticContact CD1-CE2 3.74Å; W258-Y306 AromaticContact CD1-CZ 3.94Å; W258-Y306 HydrophobicContact CD2-CD1 4.47Å; W258-Y306 AromaticContact CD2-CD2 3.55Å; W258-Y306 HydrophobicContact CD2-CD2 3.55Å; W258-Y306 AromaticContact CD2-CE2 3.98Å; W258-Y306 HydrophobicContact CD2-CE2 3.98Å; W258-Y306 AromaticContact CD2-CG 3.84Å; W258-Y306 HydrophobicContact CD2-CG 3.84Å; W258-Y306 AromaticContact CE2-CD2 3.91Å; W258-Y306 AromaticContact CE3-CD2 3.85Å; W258-Y306 HydrophobicContact CE3-CD2 3.85Å; W258-Y306 AromaticContact CE3-CG 3.85Å; W258-Y306 HydrophobicContact CE3-CG 3.85Å; W258-Y306 HydrophobicContact CG-CD1 4.08Å; W258-Y306 AromaticContact CG-CD2 3.74Å; W258-Y306 HydrophobicContact CG-CD2 3.74Å; W258-Y306 HydrophobicContact CG-CE1 4.1Å; W258-Y306 AromaticContact CG-CE2 3.76Å; W258-Y306 HydrophobicContact CG-CE2 3.76Å; W258-Y306 AromaticContact CG-CG 3.91Å; W258-Y306 HydrophobicContact CG-CG 3.91Å; W258-Y306 AromaticContact CG-CZ 3.94Å; W258-Y306 HydrophobicContact CZ3-CD2 4.45Å; W258-Y306 AromaticContact NE1-CE2 3.94Å
259H97.4Very high95.5Very high109 Ų10934.3 Ų34.351%0.50518%0.183SC..SBendtrans-100.2-2.1-163.8-64.592.7000114.2M197 Y306M197-H259 PolarHBondContact N-O 2.92Å; H259-Y306 AromaticContact CE1-CE1 3.43Å; H259-Y306 VanDerWaalsContact CE1-CE1 3.43Å; H259-Y306 WeakPolarHBondContact CE1-CE1 3.45Å; H259-Y306 AromaticContact CE1-CZ 3.84Å; H259-Y306 AromaticContact NE2-CE1 3.54Å
260V97.9Very high95.2Very high29 Ų2934.9 Ų34.918%0.17619%0.186CC..BIsolated β-bridgetrans-120.5134.1-172178.10000108.7T192 C194 V256 G262T192-V260 HydrophobicContact CG2-CG1 4.46Å; T192-V260 HydrophobicContact CG2-CG2 4.49Å; C194-V260 HydrophobicContact CB-CG1 3.42Å; C194-V260 VanDerWaalsContact CB-CG1 3.42Å; V256-V260 HydrophobicContact CB-CB 4.01Å; V256-V260 HydrophobicContact CB-CG1 3.94Å; V256-V260 HydrophobicContact CG1-CG1 4.22Å; V256-V260 WeakPolarHBondContact CG2-O 3.27Å; V256-V260 WeakPolarHBondContact O-CB 3.24Å; V260-G262 PolarHBondContact O-N 3.39Å
261Q97Very high95.1Very high48 Ų4836 Ų3622%0.22419%0.186CC..  trans-65.2131.8-179-166.2-169.1-66.400110.7P195 M197 N269 D270P195-Q261 HydrophobicContact CG-CB 3.91Å; P195-Q261 HydrophobicContact CG-CG 4.45Å; P195-Q261 WeakPolarHBondContact O-CB 3.29Å; P195-Q261 PolarHBondContact O-N 3.03Å; M197-Q261 HydrophobicContact SD-CG 4.48Å; Q261-N269 HydrophobicContact CG-CB 4.11Å; Q261-N269 WeakPolarHBondContact CG-O 3.4Å; Q261-D270 HydrophobicContact CG-CB 4.34Å
262G95Very high95.2Very high0 Ų035.5 Ų35.50%018%0.181CC..  trans-75.2-178.1173.200000114.3V260 N269V260-G262 PolarHBondContact O-N 3.39Å; G262-N269 WeakPolarHBondContact O-CB 3.27Å
263S97.1Very high95.2Very high31 Ų3135.5 Ų35.522%0.21718%0.181CC..SBendtrans-135.435172.5-66.90000111.1F237 G241 N269F237-S263 VanDerWaalsContact CE2-O 3.27Å; F237-S263 WeakPolarHBondContact CE2-O 3.42Å; G241-S263 CarbonylContact O-C 3.58Å; G241-S263 PolarHBondContact O-N 3.07Å; S263-N269 WeakPolarHBondContact CA-OD1 3.25Å
264H96Very high95.2Very high17 Ų1735.5 Ų35.58%0.07918%0.181CC..SBendtrans-92.5-32.5-171.354.881.9000114.6I207 G241 Y242 H243 N269 A272 G274 H316I207-H264 HydrophobicContact CD1-CB 3.64Å; G241-H264 WeakPolarHBondContact O-CB 3.3Å; G241-H264 PolarHBondContact O-CD2 3.41Å; G241-H264 VanDerWaalsContact O-CD2 3.29Å; G241-H264 PolarHBondContact O-N 2.98Å; Y242-H264 HydrophobicContact CD1-CB 3.72Å; Y242-H264 HydrophobicContact CE1-CB 4.1Å; H243-H264 AromaticContact CE1-CD2 3.8Å; H243-H264 AromaticContact CE1-NE2 3.23Å; H243-H264 PolarHBondContact CE1-NE2 2.88Å; H243-H264 AromaticContact ND1-CD2 3.52Å; H243-H264 AromaticContact ND1-NE2 3.24Å; H243-H264 PolarHBondContact ND1-NE2 3.25Å; H264-N269 PolarHBondContact N-OD1 3.08Å; H264-A272 PolarHBondContact NE2-O 2.79Å; H264-G274 PolarHBondContact NE2-N 2.94Å; H264-H316 PolarHBondContact O-CE1 3.32Å; H264-H316 PolarHBondContact O-NE2 3.35Å
265T94.1Very high95.2Very high2 Ų233.5 Ų33.51%0.01217%0.172CC..SBendtrans-146.4111.3-172.7-50.60000110.4I205 G267 F268 N269 H316 V319 V320I205-T265 HydrophobicContact CD1-CG2 3.91Å; T265-G267 PolarHBondContact O-N 3.39Å; T265-F268 HydrophobicContact CG2-CB 4.18Å; T265-F268 HydrophobicContact CG2-CD2 3.91Å; T265-F268 HydrophobicContact CG2-CG 4.36Å; T265-F268 PolarHBondContact O-N 3.12Å; T265-N269 PolarHBondContact N-OD1 2.91Å; T265-N269 PolarHBondContact O-N 3.33Å; T265-N269 PolarHBondContact O-ND2 3.48Å; T265-N269 PolarHBondContact O-OD1 2.9Å; T265-N269 VanDerWaalsContact O-OD1 3.05Å; T265-H316 PolarHBondContact OG1-NE2 3.3Å; T265-V319 HydrophobicContact CG2-CG2 3.71Å; T265-V320 HydrophobicContact CG2-CG2 3.58Å
266Y86.2Confident95.2Very high209 Ų20933.5 Ų33.582%0.8217%0.172SC*.THydrogen-bonded Turntrans-56.7131.9179.3-173.9-92.9000111.2F268Y266-F268 VanDerWaalsContact C-N 3.3Å; Y266-F268 PolarHBondContact O-N 2.81Å
267G87.4Confident95.2Very high53 Ų5333.1 Ų33.155%0.54617%0.169SC..THydrogen-bonded Turntrans82.2-3.8-176.700000115.7T265T265-G267 PolarHBondContact O-N 3.39Å
268F92.6Very high95.3Very high35 Ų3533 Ų3315%0.15417%0.169CC..THydrogen-bonded Turntrans-127.5-10.1179.7-70.9-93.2000114.1Y203 I205 T265 Y266 D270 I271 A272 V319Y203-F268 HydrophobicContact CD1-CE1 4.33Å; Y203-F268 HydrophobicContact CD2-CD1 4.33Å; Y203-F268 HydrophobicContact CD2-CE1 4.5Å; Y203-F268 HydrophobicContact CE1-CE1 4.26Å; Y203-F268 HydrophobicContact CE2-CE1 4.45Å; Y203-F268 HydrophobicContact CG-CD1 4.35Å; Y203-F268 HydrophobicContact CG-CE1 4.46Å; I205-F268 HydrophobicContact CD1-CB 3.59Å; I205-F268 HydrophobicContact CD1-CD1 4.13Å; I205-F268 HydrophobicContact CD1-CG 3.85Å; T265-F268 HydrophobicContact CG2-CB 4.18Å; T265-F268 HydrophobicContact CG2-CD2 3.91Å; T265-F268 HydrophobicContact CG2-CG 4.36Å; T265-F268 PolarHBondContact O-N 3.12Å; Y266-F268 VanDerWaalsContact C-N 3.3Å; Y266-F268 PolarHBondContact O-N 2.81Å; F268-D270 PolarHBondContact O-N 2.9Å; F268-I271 HydrophobicContact CD1-CD1 4.16Å; F268-I271 HydrophobicContact CD1-CG1 4.42Å; F268-I271 WeakPolarHBondContact O-CG1 3.42Å; F268-I271 PolarHBondContact O-N 2.77Å; F268-A272 HydrophobicContact CB-CB 3.92Å; F268-A272 VanDerWaalsContact O-CB 3.24Å; F268-A272 WeakPolarHBondContact O-CB 3.44Å; F268-A272 PolarHBondContact O-N 2.89Å; F268-V319 HydrophobicContact CD2-CB 4.22Å; F268-V319 HydrophobicContact CE1-CG1 4.11Å; F268-V319 HydrophobicContact CE2-CB 3.63Å; F268-V319 HydrophobicContact CE2-CG1 3.83Å; F268-V319 HydrophobicContact CE2-CG2 4.39Å; F268-V319 HydrophobicContact CZ-CB 3.93Å; F268-V319 HydrophobicContact CZ-CG1 3.55Å
269N91.6Very high95.2Very high28 Ų2831.9 Ų31.915%0.1516%0.164CC..THydrogen-bonded Turntrans-55.1-29.1-171.7-73.7-32.9000114.7Q261 G262 S263 H264 T265Q261-N269 HydrophobicContact CG-CB 4.11Å; Q261-N269 WeakPolarHBondContact CG-O 3.4Å; G262-N269 WeakPolarHBondContact O-CB 3.27Å; S263-N269 WeakPolarHBondContact CA-OD1 3.25Å; H264-N269 PolarHBondContact N-OD1 3.08Å; T265-N269 PolarHBondContact N-OD1 2.91Å; T265-N269 PolarHBondContact O-N 3.33Å; T265-N269 PolarHBondContact O-ND2 3.48Å; T265-N269 PolarHBondContact O-OD1 2.9Å; T265-N269 VanDerWaalsContact O-OD1 3.05Å
270D89.6Confident95.2Very high57 Ų5732.4 Ų32.431%0.30516%0.163SC..THydrogen-bonded Turntrans-94.6-8.4-177.767.2-39.6000114.3M197 N198 Q261 F268M197-D270 VanDerWaalsContact CE-C 3.49Å; M197-D270 WeakPolarHBondContact CE-O 3.44Å; N198-D270 WeakPolarHBondContact CB-O 3.35Å; N198-D270 PolarHBondContact N-O 3.35Å; Q261-D270 HydrophobicContact CG-CB 4.34Å; F268-D270 PolarHBondContact O-N 2.9Å
271I92.1Very high95.2Very high47 Ų4731.3 Ų31.324%0.24116%0.156CC..THydrogen-bonded Turntrans-129.2-7.1-175.160.2170.4000114K202 Y203 F268K202-I271 PolarHBondContact N-O 2.84Å; Y203-I271 HydrophobicContact CD2-CD1 4.03Å; Y203-I271 HydrophobicContact CD2-CG1 4.3Å; Y203-I271 HydrophobicContact CE2-CD1 3.91Å; Y203-I271 PolarHBondContact N-O 2.88Å; F268-I271 HydrophobicContact CD1-CD1 4.16Å; F268-I271 HydrophobicContact CD1-CG1 4.42Å; F268-I271 WeakPolarHBondContact O-CG1 3.42Å; F268-I271 PolarHBondContact O-N 2.77Å
272A96.3Very high95Very high0 Ų030.5 Ų30.50%015%0.154CC..EExtended strand (participates in β ladder)trans-124.7138.9-175.100000112.7M197 Y203 I205 H243 H264 F268M197-A272 WeakPolarHBondContact CE-O 3.03Å; Y203-A272 CarbonylContact O-C 3.36Å; Y203-A272 VanDerWaalsContact O-CA 3.3Å; Y203-A272 WeakPolarHBondContact O-CA 3.39Å; I205-A272 HydrophobicContact CD1-CB 3.64Å; I205-A272 HydrophobicContact CG1-CB 3.91Å; H243-A272 PolarHBondContact CE1-O 3.2Å; H264-A272 PolarHBondContact NE2-O 2.79Å; F268-A272 HydrophobicContact CB-CB 3.92Å; F268-A272 VanDerWaalsContact O-CB 3.24Å; F268-A272 WeakPolarHBondContact O-CB 3.44Å; F268-A272 PolarHBondContact O-N 2.89Å
273L98.7Very high94.8Very high2 Ų238.2 Ų38.21%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-82.7115.7165.8-61.9175.6000109.6A201 Y203 V204 I205 H243 W258 A301 L307A201-L273 HydrophobicContact CB-CD1 4.33Å; A201-L273 HydrophobicContact CB-CD2 4.23Å; A201-L273 HydrophobicContact CB-CG 3.73Å; Y203-L273 PolarHBondContact O-N 3.08Å; V204-L273 WeakPolarHBondContact CA-O 3.19Å; I205-L273 PolarHBondContact N-O 2.89Å; H243-L273 HydrophobicContact CB-CD2 4.48Å; W258-L273 HydrophobicContact CE3-CD1 4.18Å; W258-L273 HydrophobicContact CE3-CD2 4.27Å; W258-L273 HydrophobicContact CZ3-CD1 3.77Å; L273-A301 HydrophobicContact CD1-CB 4.07Å; L273-L307 HydrophobicContact CD1-CB 4.27Å; L273-L307 HydrophobicContact CD1-CD1 4.28Å
274G98.7Very high94.4Very high0 Ų044.4 Ų44.40%021%0.213CC..EExtended strand (participates in β ladder)trans-86.8112.917300000111.9H243 F244 H264H243-G274 WeakPolarHBondContact CB-O 3.5Å; H243-G274 PolarHBondContact N-O 3.37Å; H243-G274 PolarHBondContact ND1-N 3.03Å; F244-G274 PolarHBondContact N-O 2.77Å; H264-G274 PolarHBondContact NE2-N 2.94Å
275I98.9Very high94.2Very high3 Ų346.9 Ų46.92%0.01523%0.23CC..EExtended strand (participates in β ladder)trans-108.9113.7177.1-56.6174.3000108.7V204 I205 I206 I207 F244 V246 L297 I298V204-I275 HydrophobicContact CG1-CD1 3.7Å; V204-I275 HydrophobicContact CG1-CG1 4.28Å; I205-I275 PolarHBondContact O-N 2.77Å; I206-I275 HydrophobicContact CD1-CB 4.12Å; I206-I275 HydrophobicContact CD1-CD1 4.49Å; I207-I275 PolarHBondContact N-O 3.49Å; F244-I275 WeakPolarHBondContact O-CA 3.4Å; V246-I275 HydrophobicContact CG2-CG2 3.92Å; I275-L297 HydrophobicContact CD1-CD2 4.07Å; I275-L297 HydrophobicContact CG1-CD2 4.34Å; I275-L297 HydrophobicContact CG2-CD2 4.47Å; I275-I298 HydrophobicContact CD1-CD1 4.08Å; I275-I298 HydrophobicContact CD1-CG1 3.57Å
276A98.9Very high94.2Very high0 Ų047 Ų470%023%0.231CC..EExtended strand (participates in β ladder)trans-104120-176.800000112.5I207 T209 Y242 F244 L245 V246I207-A276 HydrophobicContact CB-CB 4.09Å; I207-A276 HydrophobicContact CG2-CB 4.15Å; I207-A276 CarbonylContact O-C 3.59Å; I207-A276 WeakPolarHBondContact O-CA 3.15Å; T209-A276 HydrophobicContact CG2-CB 4.17Å; Y242-A276 HydrophobicContact CD1-CB 3.77Å; Y242-A276 HydrophobicContact CD2-CB 3.62Å; Y242-A276 HydrophobicContact CE1-CB 4.09Å; Y242-A276 HydrophobicContact CE2-CB 3.9Å; Y242-A276 HydrophobicContact CG-CB 3.53Å; F244-A276 PolarHBondContact O-N 3.33Å; L245-A276 CarbonylContact C-O 3.49Å; L245-A276 WeakPolarHBondContact CA-O 3.36Å; L245-A276 HydrophobicContact CG-CB 4.3Å; V246-A276 PolarHBondContact N-O 3.39Å
277F98.8Very high94.2Very high0 Ų039.9 Ų39.90%021%0.207CC..EExtended strand (participates in β ladder)trans-75126.6168.2-74.1-101.2000109.9I206 I207 H208 T209 V246 G279 F281 P286 A290 L291 A294 L329 W336I206-F277 HydrophobicContact CG2-CD2 3.76Å; I206-F277 HydrophobicContact CG2-CE2 3.66Å; I207-F277 PolarHBondContact O-N 3.39Å; H208-F277 CarbonylContact C-O 3.52Å; H208-F277 WeakPolarHBondContact CA-O 3.44Å; T209-F277 PolarHBondContact N-O 3.1Å; V246-F277 HydrophobicContact CB-CD1 4.37Å; V246-F277 HydrophobicContact CG1-CE1 4.46Å; F277-G279 PolarHBondContact O-N 3.5Å; F277-G279 VanDerWaalsContact O-N 3.15Å; F277-F281 HydrophobicContact CB-CD2 3.91Å; F277-F281 HydrophobicContact CB-CE2 3.41Å; F277-F281 VanDerWaalsContact CB-CE2 3.41Å; F277-F281 HydrophobicContact CB-CZ 4.24Å; F277-P286 HydrophobicContact CD1-CB 3.82Å; F277-P286 HydrophobicContact CD1-CG 3.59Å; F277-P286 HydrophobicContact CE1-CB 4.07Å; F277-P286 HydrophobicContact CE1-CG 4.01Å; F277-P286 HydrophobicContact CG-CG 4.18Å; F277-A290 HydrophobicContact CD1-CB 4.14Å; F277-A290 HydrophobicContact CE1-CB 3.99Å; F277-L291 HydrophobicContact CE1-CD2 4.06Å; F277-L291 HydrophobicContact CZ-CD2 4.16Å; F277-A294 HydrophobicContact CE1-CB 4.24Å; F277-A294 HydrophobicContact CE2-CB 4.07Å; F277-A294 HydrophobicContact CZ-CB 3.47Å; F277-A294 VanDerWaalsContact CZ-CB 3.47Å; F277-L329 HydrophobicContact CB-CD2 3.86Å; F277-L329 HydrophobicContact CD1-CD2 4.39Å; F277-L329 HydrophobicContact CD2-CD1 4.43Å; F277-L329 HydrophobicContact CD2-CD2 3.54Å; F277-L329 HydrophobicContact CE2-CD1 4.25Å; F277-L329 HydrophobicContact CE2-CD2 4.15Å; F277-L329 HydrophobicContact CG-CD2 3.67Å; F277-L329 HydrophobicContact CZ-CD1 4.33Å; F277-W336 HydrophobicContact CZ-CH2 4.1Å
278I98.8Very high94.2Very high0 Ų041 Ų410%021%0.212CC..SBendtrans-75.8104.1179.7-56173.8000108.8T209 V223 V224 L245 V246 Y253 F281T209-I278 HydrophobicContact CG2-CG1 4.42Å; T209-I278 WeakPolarHBondContact OG1-CA 3.35Å; V223-I278 HydrophobicContact CB-CG2 4.39Å; V223-I278 HydrophobicContact CG1-CG2 3.49Å; V223-I278 VanDerWaalsContact CG1-CG2 3.49Å; V224-I278 HydrophobicContact CG2-CD1 3.79Å; L245-I278 HydrophobicContact CB-CD1 4.03Å; L245-I278 HydrophobicContact CB-CG1 3.98Å; L245-I278 HydrophobicContact CD2-CG1 4.2Å; V246-I278 PolarHBondContact O-N 2.97Å; Y253-I278 HydrophobicContact CD2-CD1 4.32Å; I278-F281 WeakPolarHBondContact O-CZ 3.47Å
279G97.2Very high93.8Very high0 Ų041.3 Ų41.30%022%0.221CC..SBendtrans148.5-170.6179.300000114.2T209 A210 G211 S213 F277T209-G279 PolarHBondContact OG1-N 2.97Å; A210-G279 WeakPolarHBondContact CA-O 3.39Å; A210-G279 PolarHBondContact N-O 3.16Å; G211-G279 CarbonylContact O-C 3.26Å; G211-G279 VanDerWaalsContact O-C 3.26Å; G211-G279 VanDerWaalsContact O-CA 3.27Å; G211-G279 WeakPolarHBondContact O-CA 3.38Å; S213-G279 VanDerWaalsContact OG-CA 3.31Å; S213-G279 WeakPolarHBondContact OG-CA 3.24Å; F277-G279 PolarHBondContact O-N 3.5Å; F277-G279 VanDerWaalsContact O-N 3.15Å
280Y96.5Very high94Very high119 Ų11940 Ų4047%0.46721%0.214SC..  trans-119.7107.7176.4-176.6-104.3000110.4A210 G211 V282A210-Y280 HydrophobicContact CB-CD2 4.17Å; G211-Y280 PolarHBondContact O-N 2.88Å; Y280-V282 HydrophobicContact CD1-CB 4.45Å; Y280-V282 HydrophobicContact CD1-CG2 4.45Å; Y280-V282 HydrophobicContact CD2-CG2 4.3Å; Y280-V282 HydrophobicContact CE1-CB 3.76Å; Y280-V282 HydrophobicContact CE1-CG2 3.79Å; Y280-V282 HydrophobicContact CE2-CB 4.48Å; Y280-V282 HydrophobicContact CE2-CG2 3.6Å; Y280-V282 WeakPolarHBondContact OH-CG2 3.24Å
281F96.9Very high94.2Very high6 Ų638.5 Ų38.53%0.02621%0.206CC..  trans-114.438.2-168.1-52.9-67.9000114.3H208 F277 I278 K284 P286 G326 Q327 A328 L329H208-F281 HydrophobicContact CB-CD2 3.72Å; H208-F281 HydrophobicContact CB-CE2 4.32Å; H208-F281 PolarHBondContact ND1-N 3.44Å; F277-F281 HydrophobicContact CB-CD2 3.91Å; F277-F281 HydrophobicContact CB-CE2 3.41Å; F277-F281 VanDerWaalsContact CB-CE2 3.41Å; F277-F281 HydrophobicContact CB-CZ 4.24Å; I278-F281 WeakPolarHBondContact O-CZ 3.47Å; F281-K284 VanDerWaalsContact CA-O 3.26Å; F281-K284 WeakPolarHBondContact CA-O 3.44Å; F281-K284 WeakPolarHBondContact CB-O 3.33Å; F281-K284 WeakPolarHBondContact CD1-O 3.42Å; F281-P286 HydrophobicContact CD1-CB 4.34Å; F281-P286 HydrophobicContact CD1-CG 3.65Å; F281-P286 HydrophobicContact CD2-CG 4.03Å; F281-P286 HydrophobicContact CE1-CB 4.04Å; F281-P286 HydrophobicContact CE1-CG 3.75Å; F281-P286 HydrophobicContact CE2-CG 4.14Å; F281-P286 HydrophobicContact CG-CG 3.81Å; F281-P286 HydrophobicContact CZ-CB 4.34Å; F281-P286 HydrophobicContact CZ-CG 3.99Å; F281-G326 CarbonylContact O-C 3.16Å; F281-G326 WeakPolarHBondContact O-CA 3Å; F281-Q327 PolarHBondContact O-N 3.24Å; F281-A328 WeakPolarHBondContact O-CB 3.27Å; F281-A328 PolarHBondContact O-N 2.94Å; F281-A328 VanDerWaalsContact O-N 3.12Å; F281-L329 HydrophobicContact CB-CB 3.67Å; F281-L329 HydrophobicContact CB-CD2 4.37Å; F281-L329 HydrophobicContact CD2-CD2 3.94Å; F281-L329 HydrophobicContact CG-CB 4.38Å; F281-L329 HydrophobicContact CG-CD2 4.35Å; F281-L329 PolarHBondContact O-N 3.04Å
282V93.6Very high94Very high31 Ų3140.9 Ų40.919%0.18822%0.216CC..SBendtrans-73.7-50.6174.5176.80000110.7Y280 L323 A328Y280-V282 HydrophobicContact CD1-CB 4.45Å; Y280-V282 HydrophobicContact CD1-CG2 4.45Å; Y280-V282 HydrophobicContact CD2-CG2 4.3Å; Y280-V282 HydrophobicContact CE1-CB 3.76Å; Y280-V282 HydrophobicContact CE1-CG2 3.79Å; Y280-V282 HydrophobicContact CE2-CB 4.48Å; Y280-V282 HydrophobicContact CE2-CG2 3.6Å; Y280-V282 WeakPolarHBondContact OH-CG2 3.24Å; V282-L323 HydrophobicContact CG1-CD2 4.42Å; V282-L323 HydrophobicContact CG2-CD2 3.51Å; V282-L323 HydrophobicContact CG2-CG 3.9Å; V282-A328 WeakPolarHBondContact O-CB 3.41Å; V282-A328 PolarHBondContact O-N 3.39Å
283E91.1Very high93.8Very high163 Ų16341.2 Ų41.276%0.76222%0.219SC*.SBendtrans-99.1-37.6-174.8-62.6177.1-17700113.1
284K89.5Confident93.7Very high160 Ų16041.1 Ų41.170%0.69622%0.218SC*.SBendtrans-115134.8-176.8-64.7-177.7-177.3177.50109.5F281 A328F281-K284 VanDerWaalsContact CA-O 3.26Å; F281-K284 WeakPolarHBondContact CA-O 3.44Å; F281-K284 WeakPolarHBondContact CB-O 3.33Å; F281-K284 WeakPolarHBondContact CD1-O 3.42Å; K284-A328 VanDerWaalsContact C-CB 3.5Å
285P91.7Very high93.4Very high69 Ų6944.9 Ų44.945%0.44824%0.236SC..PPolyproline II helixtrans-75.3163.1176.531.8-34.9000111.4A328 I332P285-A328 HydrophobicContact CB-CB 4.32Å; P285-I332 HydrophobicContact CB-CD1 3.32Å; P285-I332 HydrophobicContact CG-CD1 4.23Å
286P93.7Very high92.9Very high5 Ų546.3 Ų46.33%0.03224%0.243CC..PPolyproline II helixtrans-60.6157.3163.3-19.232.2000111.8F277 F281 A290 L291 L329F277-P286 HydrophobicContact CD1-CB 3.82Å; F277-P286 HydrophobicContact CD1-CG 3.59Å; F277-P286 HydrophobicContact CE1-CB 4.07Å; F277-P286 HydrophobicContact CE1-CG 4.01Å; F277-P286 HydrophobicContact CG-CG 4.18Å; F281-P286 HydrophobicContact CD1-CB 4.34Å; F281-P286 HydrophobicContact CD1-CG 3.65Å; F281-P286 HydrophobicContact CD2-CG 4.03Å; F281-P286 HydrophobicContact CE1-CB 4.04Å; F281-P286 HydrophobicContact CE1-CG 3.75Å; F281-P286 HydrophobicContact CE2-CG 4.14Å; F281-P286 HydrophobicContact CG-CG 3.81Å; F281-P286 HydrophobicContact CZ-CB 4.34Å; F281-P286 HydrophobicContact CZ-CG 3.99Å; P286-A290 HydrophobicContact CB-CB 4.04Å; P286-L291 HydrophobicContact CB-CD2 4.23Å; P286-L291 HydrophobicContact CB-CG 4.31Å; P286-L291 HydrophobicContact CG-CD2 4.26Å; P286-L329 HydrophobicContact CG-CB 4.43Å; P286-L329 HydrophobicContact CG-CD1 3.79Å; P286-L329 HydrophobicContact CG-CD2 4Å; P286-L329 HydrophobicContact CG-CG 4.3Å
287N86.2Confident92.9Very high59 Ų5946.4 Ų46.432%0.31624%0.244SC..PPolyproline II helixtrans-71.2167.4174.472.512.3000112.3Q248 A289 A290 L291Q248-N287 PolarHBondContact O-ND2 3.14Å; Q248-N287 VanDerWaalsContact OE1-CB 3.27Å; Q248-N287 PolarHBondContact OE1-ND2 2.61Å; Q248-N287 PolarHBondContact OE1-OD1 2.79Å; N287-A289 VanDerWaalsContact C-N 3.29Å; N287-A289 PolarHBondContact O-N 3.14Å; N287-A289 PolarHBondContact OD1-N 2.98Å; N287-A290 PolarHBondContact O-N 3.01Å; N287-A290 WeakPolarHBondContact OD1-CB 3.4Å; N287-A290 PolarHBondContact OD1-N 3.38Å; N287-L291 WeakPolarHBondContact O-CG 3.37Å; N287-L291 PolarHBondContact O-N 2.71Å
288A86.3Confident92.7Very high77 Ų7746.6 Ų46.664%0.63625%0.245SC*.Hα-helixtrans-58.6-39.1-176.900000112.9A290 L291 E292A288-A290 PolarHBondContact O-N 2.69Å; A288-L291 PolarHBondContact O-N 3.26Å; A288-E292 WeakPolarHBondContact O-CB 3.26Å; A288-E292 PolarHBondContact O-N 2.68Å
289A85.4Confident92.3Very high42 Ų4251 Ų5135%0.34727%0.266SS..Hα-helixtrans-62.4-42.8-179.400000112.2N287 A293N287-A289 VanDerWaalsContact C-N 3.29Å; N287-A289 PolarHBondContact O-N 3.14Å; N287-A289 PolarHBondContact OD1-N 2.98Å; A289-A293 VanDerWaalsContact O-CB 3.27Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 2.72Å
290A95.3Very high92.1Very high0 Ų051.4 Ų51.40%027%0.268CS..Hα-helixtrans-65.1-42.1175.500000112V246 G247 F277 P286 N287 A288 A293 A294V246-A290 HydrophobicContact CG1-CB 3.95Å; V246-A290 WeakPolarHBondContact CG1-O 3.42Å; G247-A290 WeakPolarHBondContact O-CB 3.22Å; F277-A290 HydrophobicContact CD1-CB 4.14Å; F277-A290 HydrophobicContact CE1-CB 3.99Å; P286-A290 HydrophobicContact CB-CB 4.04Å; N287-A290 PolarHBondContact O-N 3.01Å; N287-A290 WeakPolarHBondContact OD1-CB 3.4Å; N287-A290 PolarHBondContact OD1-N 3.38Å; A288-A290 PolarHBondContact O-N 2.69Å; A290-A293 PolarHBondContact O-N 3.14Å; A290-A294 PolarHBondContact O-N 3.28Å; A290-A294 VanDerWaalsContact O-N 3.1Å
291L93.3Very high92.1Very high26 Ų2645.8 Ų45.814%0.13625%0.246CC..Hα-helixtrans-65-44.3179.3-63.9169.2000111.3F277 P286 N287 A288 A294 Q295 L329 I332 W336F277-L291 HydrophobicContact CE1-CD2 4.06Å; F277-L291 HydrophobicContact CZ-CD2 4.16Å; P286-L291 HydrophobicContact CB-CD2 4.23Å; P286-L291 HydrophobicContact CB-CG 4.31Å; P286-L291 HydrophobicContact CG-CD2 4.26Å; N287-L291 WeakPolarHBondContact O-CG 3.37Å; N287-L291 PolarHBondContact O-N 2.71Å; A288-L291 PolarHBondContact O-N 3.26Å; L291-A294 PolarHBondContact O-N 3.03Å; L291-Q295 WeakPolarHBondContact O-CG 3.3Å; L291-Q295 PolarHBondContact O-N 2.92Å; L291-Q295 VanDerWaalsContact O-N 3.09Å; L291-L329 HydrophobicContact CD2-CD1 3.94Å; L291-I332 HydrophobicContact CD1-CD1 4.04Å; L291-I332 HydrophobicContact CD1-CG2 4.18Å; L291-I332 HydrophobicContact CD2-CG2 4.03Å; L291-W336 HydrophobicContact CB-CZ2 4.26Å; L291-W336 HydrophobicContact CD2-CH2 4.5Å; L291-W336 HydrophobicContact CD2-CZ2 3.84Å
292E87.6Confident91.8Very high97 Ų9747 Ų4745%0.45325%0.254SS..Hα-helixtrans-62.7-46176.8-175.6173.4-167.400111.4K176 A288 A294 Q295 D296K176-E292 IonicContact NZ-OE1 3.68Å; K176-E292 PolarHBondContact NZ-OE1 3.03Å; A288-E292 WeakPolarHBondContact O-CB 3.26Å; A288-E292 PolarHBondContact O-N 2.68Å; E292-A294 VanDerWaalsContact C-N 3.3Å; E292-A294 PolarHBondContact O-N 2.85Å; E292-Q295 PolarHBondContact O-N 3.42Å; E292-D296 WeakPolarHBondContact O-CB 3.4Å; E292-D296 VanDerWaalsContact O-CG 3.25Å; E292-D296 PolarHBondContact O-N 3.24Å
293A92.6Very high91.6Very high7 Ų749.3 Ų49.36%0.05827%0.268CS..Hα-helixtrans-59.3-39.9177.800000112.8V246 G250 V252 A289 A290 L297V246-A293 HydrophobicContact CG1-CB 4.03Å; G250-A293 VanDerWaalsContact O-CB 3.3Å; G250-A293 WeakPolarHBondContact O-CB 3.22Å; V252-A293 HydrophobicContact CG2-CB 3.95Å; A289-A293 VanDerWaalsContact O-CB 3.27Å; A289-A293 WeakPolarHBondContact O-CB 3.27Å; A289-A293 PolarHBondContact O-N 2.72Å; A290-A293 PolarHBondContact O-N 3.14Å; A293-L297 VanDerWaalsContact O-CB 3.3Å; A293-L297 WeakPolarHBondContact O-CB 3.43Å; A293-L297 PolarHBondContact O-N 2.9Å
294A97.2Very high91.6Very high0 Ų046.8 Ų46.80%026%0.256CS..Hα-helixtrans-67.9-41.9176.300000112.4V246 F277 A290 L291 E292 L297 I298 W336V246-A294 HydrophobicContact CG2-CB 4.27Å; F277-A294 HydrophobicContact CE1-CB 4.24Å; F277-A294 HydrophobicContact CE2-CB 4.07Å; F277-A294 HydrophobicContact CZ-CB 3.47Å; F277-A294 VanDerWaalsContact CZ-CB 3.47Å; A290-A294 PolarHBondContact O-N 3.28Å; A290-A294 VanDerWaalsContact O-N 3.1Å; L291-A294 PolarHBondContact O-N 3.03Å; E292-A294 VanDerWaalsContact C-N 3.3Å; E292-A294 PolarHBondContact O-N 2.85Å; A294-L297 WeakPolarHBondContact O-CB 3.46Å; A294-L297 PolarHBondContact O-N 2.93Å; A294-I298 WeakPolarHBondContact O-CD1 3.27Å; A294-I298 VanDerWaalsContact O-CG1 3.26Å; A294-I298 WeakPolarHBondContact O-CG1 3.25Å; A294-I298 PolarHBondContact O-N 2.92Å; A294-W336 HydrophobicContact CB-CH2 3.88Å; A294-W336 HydrophobicContact CB-CZ3 4.34Å
295Q92.6Very high91.8Very high79 Ų7941.2 Ų41.237%0.36925%0.245SC..Hα-helixtrans-64.4-43.7176.1-72.4-178.5-2500111.7L291 E292 L297 I298 Q299 W336L291-Q295 WeakPolarHBondContact O-CG 3.3Å; L291-Q295 PolarHBondContact O-N 2.92Å; L291-Q295 VanDerWaalsContact O-N 3.09Å; E292-Q295 PolarHBondContact O-N 3.42Å; Q295-L297 VanDerWaalsContact C-N 3.29Å; Q295-L297 PolarHBondContact O-N 3.1Å; Q295-I298 PolarHBondContact O-N 3.14Å; Q295-Q299 PolarHBondContact O-N 2.96Å; Q295-W336 HydrophobicContact CG-CD2 4.05Å; Q295-W336 HydrophobicContact CG-CE3 4.06Å; Q295-W336 HydrophobicContact CG-CH2 3.87Å; Q295-W336 HydrophobicContact CG-CZ2 3.83Å; Q295-W336 HydrophobicContact CG-CZ3 3.99Å; Q295-W336 VanDerWaalsContact NE2-CE2 3.32Å; Q295-W336 VanDerWaalsContact NE2-NE1 3.16Å
296D88.5Confident92Very high33 Ų3340.2 Ų40.218%0.17623%0.232CC..Hα-helixtrans-62.6-38.1176.9-69.5-7.9000111.2K176 P179 E292 Q299 C300K176-D296 VanDerWaalsContact CD-CG 3.5Å; K176-D296 WeakPolarHBondContact CD-OD1 3.16Å; K176-D296 WeakPolarHBondContact CD-OD2 3.19Å; K176-D296 IonicContact NZ-OD1 2.68Å; K176-D296 PolarHBondContact NZ-OD1 3.39Å; K176-D296 IonicContact NZ-OD2 2.88Å; K176-D296 PolarHBondContact NZ-OD2 3.37Å; P179-D296 HydrophobicContact CB-CB 4.26Å; P179-D296 WeakPolarHBondContact CD-O 3.36Å; P179-D296 HydrophobicContact CG-CB 4.2Å; E292-D296 WeakPolarHBondContact O-CB 3.4Å; E292-D296 VanDerWaalsContact O-CG 3.25Å; E292-D296 PolarHBondContact O-N 3.24Å; D296-Q299 PolarHBondContact O-N 3.42Å; D296-C300 VanDerWaalsContact O-CB 3.31Å; D296-C300 WeakPolarHBondContact O-CB 3.49Å; D296-C300 PolarHBondContact O-N 3.24Å
297L97.6Very high92.1Very high1 Ų140.1 Ų40.11%0.00523%0.231CC..Hα-helixtrans-64.3-44.4175.4-178.766.1000112.2P179 I181 F244 V252 W258 I275 A293 A294 Q295 C300 A301P179-L297 HydrophobicContact CG-CB 3.99Å; P179-L297 HydrophobicContact CG-CD1 4.19Å; I181-L297 HydrophobicContact CD1-CD1 3.88Å; I181-L297 HydrophobicContact CG1-CD1 4.23Å; F244-L297 HydrophobicContact CB-CD2 3.6Å; F244-L297 HydrophobicContact CD1-CD1 4.43Å; F244-L297 HydrophobicContact CD1-CD2 4.29Å; F244-L297 HydrophobicContact CD2-CD2 3.97Å; F244-L297 HydrophobicContact CG-CD1 4.45Å; F244-L297 HydrophobicContact CG-CD2 3.67Å; V252-L297 HydrophobicContact CG1-CD1 3.96Å; V252-L297 HydrophobicContact CG1-CD2 3.68Å; V252-L297 HydrophobicContact CG1-CG 4.33Å; V252-L297 HydrophobicContact CG2-CB 4.47Å; W258-L297 HydrophobicContact CH2-CD1 3.42Å; W258-L297 VanDerWaalsContact CH2-CD1 3.42Å; W258-L297 HydrophobicContact CH2-CG 3.97Å; W258-L297 HydrophobicContact CZ2-CD1 3.54Å; I275-L297 HydrophobicContact CD1-CD2 4.07Å; I275-L297 HydrophobicContact CG1-CD2 4.34Å; I275-L297 HydrophobicContact CG2-CD2 4.47Å; A293-L297 VanDerWaalsContact O-CB 3.3Å; A293-L297 WeakPolarHBondContact O-CB 3.43Å; A293-L297 PolarHBondContact O-N 2.9Å; A294-L297 WeakPolarHBondContact O-CB 3.46Å; A294-L297 PolarHBondContact O-N 2.93Å; Q295-L297 VanDerWaalsContact C-N 3.29Å; Q295-L297 PolarHBondContact O-N 3.1Å; L297-C300 WeakPolarHBondContact O-CB 3.47Å; L297-C300 PolarHBondContact O-N 2.76Å; L297-A301 PolarHBondContact O-N 2.96Å
298I96.2Very high92Very high5 Ų538.6 Ų38.63%0.02622%0.224CC..Hα-helixtrans-63.9-44.4178.1-68161.6000110V204 I206 I275 A294 Q295 C300 A301 V302 L307 Y311 L313 W336V204-I298 HydrophobicContact CG1-CD1 4.02Å; V204-I298 HydrophobicContact CG1-CG1 4.15Å; V204-I298 HydrophobicContact CG2-CG1 4.39Å; V204-I298 HydrophobicContact CG2-CG2 4.41Å; I206-I298 HydrophobicContact CD1-CD1 4.49Å; I275-I298 HydrophobicContact CD1-CD1 4.08Å; I275-I298 HydrophobicContact CD1-CG1 3.57Å; A294-I298 WeakPolarHBondContact O-CD1 3.27Å; A294-I298 VanDerWaalsContact O-CG1 3.26Å; A294-I298 WeakPolarHBondContact O-CG1 3.25Å; A294-I298 PolarHBondContact O-N 2.92Å; Q295-I298 PolarHBondContact O-N 3.14Å; I298-C300 VanDerWaalsContact C-N 3.32Å; I298-C300 PolarHBondContact O-N 2.92Å; I298-A301 WeakPolarHBondContact O-CB 3.26Å; I298-A301 PolarHBondContact O-N 3.23Å; I298-A301 VanDerWaalsContact O-N 3.16Å; I298-V302 PolarHBondContact O-N 2.91Å; I298-V302 VanDerWaalsContact O-N 3.15Å; I298-L307 HydrophobicContact CG2-CD2 3.92Å; I298-Y311 HydrophobicContact CG2-CE1 4.13Å; I298-Y311 HydrophobicContact CG2-CE2 3.77Å; I298-Y311 VanDerWaalsContact CG2-CZ 3.45Å; I298-Y311 VanDerWaalsContact CG2-OH 3.27Å; I298-Y311 WeakPolarHBondContact CG2-OH 3.45Å; I298-L313 HydrophobicContact CD1-CD1 3.74Å; I298-W336 HydrophobicContact CD1-CE3 4.28Å; I298-W336 HydrophobicContact CD1-CZ3 3.91Å
299Q88.6Confident91.7Very high93 Ų9339.4 Ų39.444%0.43522%0.223SC..Hα-helixtrans-61.9-41.7176.8-176.658.472.700111.9Q295 D296 A301 V302 V303Q295-Q299 PolarHBondContact O-N 2.96Å; D296-Q299 PolarHBondContact O-N 3.42Å; Q299-A301 VanDerWaalsContact C-N 3.34Å; Q299-V302 PolarHBondContact O-N 3.01Å; Q299-V303 WeakPolarHBondContact O-CG2 3.43Å; Q299-V303 PolarHBondContact O-N 3.44Å
300C93.1Very high91.6Very high7 Ų742.1 Ų42.15%0.04723%0.231CC..Hα-helixtrans-59.2-45173.4177.50000111.5C178 D296 L297 I298 V302 V303 E304C178-C300 HydrophobicContact CB-CB 3.77Å; C178-C300 WeakPolarHBondContact CB-SG 3.35Å; C178-C300 WeakPolarHBondContact SG-CB 3.32Å; C178-C300 CovalentContact SG-SG 2.03Å; C178-C300 PolarHBondContact SG-SG 3.43Å; D296-C300 VanDerWaalsContact O-CB 3.31Å; D296-C300 WeakPolarHBondContact O-CB 3.49Å; D296-C300 PolarHBondContact O-N 3.24Å; L297-C300 WeakPolarHBondContact O-CB 3.47Å; L297-C300 PolarHBondContact O-N 2.76Å; I298-C300 VanDerWaalsContact C-N 3.32Å; I298-C300 PolarHBondContact O-N 2.92Å; C300-V302 VanDerWaalsContact C-N 3.25Å; C300-V302 PolarHBondContact O-N 3.47Å; C300-V303 PolarHBondContact O-N 3.44Å; C300-V303 VanDerWaalsContact O-N 3.15Å; C300-E304 WeakPolarHBondContact O-CB 3.18Å; C300-E304 WeakPolarHBondContact O-CG 3.28Å; C300-E304 PolarHBondContact O-N 3.39Å
301A96.3Very high91.2Very high1 Ų143.1 Ų43.11%0.00824%0.235CC..Hα-helixtrans-58.5-37.7178.700000112.4W258 L273 L297 I298 Q299 G305 Y306 L307W258-A301 HydrophobicContact CE3-CB 4.46Å; W258-A301 HydrophobicContact CH2-CB 3.73Å; W258-A301 HydrophobicContact CZ3-CB 3.51Å; L273-A301 HydrophobicContact CD1-CB 4.07Å; L297-A301 PolarHBondContact O-N 2.96Å; I298-A301 WeakPolarHBondContact O-CB 3.26Å; I298-A301 PolarHBondContact O-N 3.23Å; I298-A301 VanDerWaalsContact O-N 3.16Å; Q299-A301 VanDerWaalsContact C-N 3.34Å; A301-G305 PolarHBondContact O-N 3.37Å; A301-Y306 PolarHBondContact O-N 3.41Å; A301-L307 HydrophobicContact CB-CB 3.7Å; A301-L307 HydrophobicContact CB-CD2 4.19Å; A301-L307 PolarHBondContact O-N 3.42Å
302V91.1Very high91Very high32 Ų3242.4 Ų42.419%0.19423%0.232CC..Hα-helixtrans-68.3-47.5174.9177.50000111.4I298 Q299 C300 E304 G305 L307 P309 Y311I298-V302 PolarHBondContact O-N 2.91Å; I298-V302 VanDerWaalsContact O-N 3.15Å; Q299-V302 PolarHBondContact O-N 3.01Å; C300-V302 VanDerWaalsContact C-N 3.25Å; C300-V302 PolarHBondContact O-N 3.47Å; V302-E304 VanDerWaalsContact C-N 3.32Å; V302-E304 PolarHBondContact O-N 2.87Å; V302-G305 PolarHBondContact O-N 2.95Å; V302-L307 HydrophobicContact CG2-CB 4.16Å; V302-L307 HydrophobicContact CG2-CD2 3.89Å; V302-L307 HydrophobicContact CG2-CG 4.12Å; V302-P309 HydrophobicContact CG1-CB 4.24Å; V302-P309 HydrophobicContact CG1-CG 4.26Å; V302-Y311 HydrophobicContact CG2-CD1 3.88Å; V302-Y311 HydrophobicContact CG2-CE1 3.77Å
303V89.3Confident91.3Very high80 Ų8037.9 Ų37.949%0.48521%0.21SC..Hα-helixtrans-63.1-39.8-177.8169.80000111.8Q299 C300 G305Q299-V303 WeakPolarHBondContact O-CG2 3.43Å; Q299-V303 PolarHBondContact O-N 3.44Å; C300-V303 PolarHBondContact O-N 3.44Å; C300-V303 VanDerWaalsContact O-N 3.15Å; V303-G305 VanDerWaalsContact C-N 3.29Å; V303-G305 PolarHBondContact O-N 3.19Å
304E92.4Very high91.4Very high109 Ų10937.5 Ų37.551%0.50921%0.208SC..THydrogen-bonded Turntrans-83.7-2.3-179.6-63-63.9134.400113.1C300 V302 Y306C300-E304 WeakPolarHBondContact O-CB 3.18Å; C300-E304 WeakPolarHBondContact O-CG 3.28Å; C300-E304 PolarHBondContact O-N 3.39Å; V302-E304 VanDerWaalsContact C-N 3.32Å; V302-E304 PolarHBondContact O-N 2.87Å; E304-Y306 VanDerWaalsContact C-N 3.34Å; E304-Y306 HydrophobicContact CB-CD2 3.57Å; E304-Y306 HydrophobicContact CB-CE2 3.5Å; E304-Y306 VanDerWaalsContact CB-CE2 3.5Å; E304-Y306 HydrophobicContact CG-CE2 4.28Å; E304-Y306 PolarHBondContact O-N 3.18Å
305G92.3Very high91.4Very high44 Ų4437.5 Ų37.545%0.45421%0.208SC..THydrogen-bonded Turntrans7714.8177.400000115.1A301 V302 V303 L307A301-G305 PolarHBondContact O-N 3.37Å; V302-G305 PolarHBondContact O-N 2.95Å; V303-G305 VanDerWaalsContact C-N 3.29Å; V303-G305 PolarHBondContact O-N 3.19Å; G305-L307 VanDerWaalsContact C-N 3.33Å
306Y97.2Very high91.6Very high48 Ų4834.6 Ų34.619%0.18819%0.194CC..SBendtrans-78.2-21.2171.8-60.7-56.7000112.8L199 A201 W258 H259 A301 E304L199-Y306 HydrophobicContact CD1-CD1 3.91Å; L199-Y306 HydrophobicContact CD1-CE1 4.41Å; L199-Y306 HydrophobicContact CD2-CD1 4.48Å; L199-Y306 WeakPolarHBondContact CD2-O 3.47Å; A201-Y306 PolarHBondContact N-O 3.24Å; W258-Y306 HydrophobicContact CB-CD1 3.66Å; W258-Y306 HydrophobicContact CB-CD2 4.24Å; W258-Y306 HydrophobicContact CB-CE1 3.73Å; W258-Y306 HydrophobicContact CB-CE2 4.3Å; W258-Y306 HydrophobicContact CB-CG 3.94Å; W258-Y306 AromaticContact CD1-CE2 3.74Å; W258-Y306 AromaticContact CD1-CZ 3.94Å; W258-Y306 HydrophobicContact CD2-CD1 4.47Å; W258-Y306 AromaticContact CD2-CD2 3.55Å; W258-Y306 HydrophobicContact CD2-CD2 3.55Å; W258-Y306 AromaticContact CD2-CE2 3.98Å; W258-Y306 HydrophobicContact CD2-CE2 3.98Å; W258-Y306 AromaticContact CD2-CG 3.84Å; W258-Y306 HydrophobicContact CD2-CG 3.84Å; W258-Y306 AromaticContact CE2-CD2 3.91Å; W258-Y306 AromaticContact CE3-CD2 3.85Å; W258-Y306 HydrophobicContact CE3-CD2 3.85Å; W258-Y306 AromaticContact CE3-CG 3.85Å; W258-Y306 HydrophobicContact CE3-CG 3.85Å; W258-Y306 HydrophobicContact CG-CD1 4.08Å; W258-Y306 AromaticContact CG-CD2 3.74Å; W258-Y306 HydrophobicContact CG-CD2 3.74Å; W258-Y306 HydrophobicContact CG-CE1 4.1Å; W258-Y306 AromaticContact CG-CE2 3.76Å; W258-Y306 HydrophobicContact CG-CE2 3.76Å; W258-Y306 AromaticContact CG-CG 3.91Å; W258-Y306 HydrophobicContact CG-CG 3.91Å; W258-Y306 AromaticContact CG-CZ 3.94Å; W258-Y306 HydrophobicContact CZ3-CD2 4.45Å; W258-Y306 AromaticContact NE1-CE2 3.94Å; H259-Y306 AromaticContact CE1-CE1 3.43Å; H259-Y306 VanDerWaalsContact CE1-CE1 3.43Å; H259-Y306 WeakPolarHBondContact CE1-CE1 3.45Å; H259-Y306 AromaticContact CE1-CZ 3.84Å; H259-Y306 AromaticContact NE2-CE1 3.54Å; A301-Y306 PolarHBondContact O-N 3.41Å; E304-Y306 VanDerWaalsContact C-N 3.34Å; E304-Y306 HydrophobicContact CB-CD2 3.57Å; E304-Y306 HydrophobicContact CB-CE2 3.5Å; E304-Y306 VanDerWaalsContact CB-CE2 3.5Å; E304-Y306 HydrophobicContact CG-CE2 4.28Å; E304-Y306 PolarHBondContact O-N 3.18Å
307L95.6Very high91.9Very high2 Ų235 Ų351%0.0120%0.199CC..EExtended strand (participates in β ladder)trans-131.5134-178.3-174.763.2000109.1A201 V204 L273 I298 A301 V302 G305 Y311A201-L307 HydrophobicContact CB-CD1 4.08Å; A201-L307 WeakPolarHBondContact O-CD1 3.39Å; V204-L307 HydrophobicContact CG2-CD1 3.92Å; V204-L307 HydrophobicContact CG2-CD2 3.47Å; V204-L307 VanDerWaalsContact CG2-CD2 3.47Å; V204-L307 HydrophobicContact CG2-CG 4.37Å; L273-L307 HydrophobicContact CD1-CB 4.27Å; L273-L307 HydrophobicContact CD1-CD1 4.28Å; I298-L307 HydrophobicContact CG2-CD2 3.92Å; A301-L307 HydrophobicContact CB-CB 3.7Å; A301-L307 HydrophobicContact CB-CD2 4.19Å; A301-L307 PolarHBondContact O-N 3.42Å; V302-L307 HydrophobicContact CG2-CB 4.16Å; V302-L307 HydrophobicContact CG2-CD2 3.89Å; V302-L307 HydrophobicContact CG2-CG 4.12Å; G305-L307 VanDerWaalsContact C-N 3.33Å; L307-Y311 HydrophobicContact CD1-CD2 4.47Å; L307-Y311 HydrophobicContact CD1-CG 3.99Å; L307-Y311 HydrophobicContact CD2-CD1 3.69Å; L307-Y311 HydrophobicContact CD2-CD2 3.87Å; L307-Y311 HydrophobicContact CD2-CE1 4.08Å; L307-Y311 HydrophobicContact CD2-CE2 4.23Å; L307-Y311 HydrophobicContact CD2-CG 3.59Å; L307-Y311 HydrophobicContact CG-CD1 3.91Å; L307-Y311 HydrophobicContact CG-CD2 4.41Å; L307-Y311 HydrophobicContact CG-CG 3.74Å
308T84.8Confident91.5Very high28 Ų2835.9 Ų35.917%0.17220%0.204CC..EExtended strand (participates in β ladder)trans-64.2143.5177.2-173.40000111A201 N310 Y311A201-T308 WeakPolarHBondContact O-CG2 3.49Å; A201-T308 PolarHBondContact O-N 3.49Å; T308-N310 VanDerWaalsContact CG2-OD1 3.24Å; T308-N310 WeakPolarHBondContact CG2-OD1 3.39Å; T308-N310 PolarHBondContact O-N 2.54Å; T308-N310 VanDerWaalsContact O-N 3.14Å; T308-N310 PolarHBondContact OG1-OD1 2.92Å; T308-Y311 WeakPolarHBondContact O-CB 3.38Å; T308-Y311 WeakPolarHBondContact O-CD1 3.45Å; T308-Y311 PolarHBondContact O-N 3.13Å; T308-Y311 VanDerWaalsContact O-N 3.1Å
309P79.9Confident91.1Very high93 Ų9337.4 Ų37.460%0.60421%0.214SC*.EExtended strand (participates in β ladder)trans-59.6-25.5179.3-25.434.5000114.6V302 H338V302-P309 HydrophobicContact CG1-CB 4.24Å; V302-P309 HydrophobicContact CG1-CG 4.26Å; P309-H338 PolarHBondContact O-CE1 2.87Å
310N81.5Confident90.9Very high99 Ų9935.4 Ų35.453%0.52921%0.208SC..EExtended strand (participates in β ladder)trans-100.233.1176.967.1-21.6000112.8T308T308-N310 VanDerWaalsContact CG2-OD1 3.24Å; T308-N310 WeakPolarHBondContact CG2-OD1 3.39Å; T308-N310 PolarHBondContact O-N 2.54Å; T308-N310 VanDerWaalsContact O-N 3.14Å; T308-N310 PolarHBondContact OG1-OD1 2.92Å
311Y88.6Confident90.7Very high21 Ų2141.3 Ų41.38%0.08225%0.249CC..EExtended strand (participates in β ladder)trans-61162.3-17969.1-83.2000112.3K202 V204 I298 V302 L307 T308 L313 H338K202-Y311 WeakPolarHBondContact O-CA 3.44Å; V204-Y311 HydrophobicContact CB-CD2 4.4Å; V204-Y311 HydrophobicContact CG2-CD2 3.82Å; V204-Y311 HydrophobicContact CG2-CE2 4.11Å; I298-Y311 HydrophobicContact CG2-CE1 4.13Å; I298-Y311 HydrophobicContact CG2-CE2 3.77Å; I298-Y311 VanDerWaalsContact CG2-CZ 3.45Å; I298-Y311 VanDerWaalsContact CG2-OH 3.27Å; I298-Y311 WeakPolarHBondContact CG2-OH 3.45Å; V302-Y311 HydrophobicContact CG2-CD1 3.88Å; V302-Y311 HydrophobicContact CG2-CE1 3.77Å; L307-Y311 HydrophobicContact CD1-CD2 4.47Å; L307-Y311 HydrophobicContact CD1-CG 3.99Å; L307-Y311 HydrophobicContact CD2-CD1 3.69Å; L307-Y311 HydrophobicContact CD2-CD2 3.87Å; L307-Y311 HydrophobicContact CD2-CE1 4.08Å; L307-Y311 HydrophobicContact CD2-CE2 4.23Å; L307-Y311 HydrophobicContact CD2-CG 3.59Å; L307-Y311 HydrophobicContact CG-CD1 3.91Å; L307-Y311 HydrophobicContact CG-CD2 4.41Å; L307-Y311 HydrophobicContact CG-CG 3.74Å; T308-Y311 WeakPolarHBondContact O-CB 3.38Å; T308-Y311 WeakPolarHBondContact O-CD1 3.45Å; T308-Y311 PolarHBondContact O-N 3.13Å; T308-Y311 VanDerWaalsContact O-N 3.1Å; Y311-L313 HydrophobicContact CE2-CB 4.11Å; Y311-L313 HydrophobicContact CE2-CD1 4.39Å; Y311-H338 HydrophobicContact CD2-CB 3.97Å; Y311-H338 HydrophobicContact CE1-CB 4.17Å; Y311-H338 AromaticContact CE1-CD2 3.59Å; Y311-H338 AromaticContact CE1-CG 3.65Å; Y311-H338 AromaticContact CE1-ND1 3.98Å; Y311-H338 AromaticContact CE1-NE2 3.94Å; Y311-H338 HydrophobicContact CE2-CB 3.51Å; Y311-H338 AromaticContact CE2-CG 3.95Å; Y311-H338 HydrophobicContact CG-CB 4.46Å; Y311-H338 AromaticContact CZ-CD2 3.57Å; Y311-H338 AromaticContact CZ-CG 3.54Å; Y311-H338 WeakPolarHBondContact O-CB 3.32Å; Y311-H338 PolarHBondContact O-ND1 3.48Å; Y311-H338 VanDerWaalsContact O-ND1 3.09Å; Y311-H338 PolarHBondContact OH-CD2 2.95Å
312L87.9Confident90.3Very high12 Ų1245.4 Ų45.46%0.06327%0.27CS..EExtended strand (participates in β ladder)trans-105.8132.6168.1-77.3-177.8000112.1L160 K202 Y203 V204 K340L160-L312 HydrophobicContact CD1-CD1 3.65Å; L160-L312 HydrophobicContact CD1-CD2 3.55Å; L160-L312 HydrophobicContact CD1-CG 3.36Å; L160-L312 HydrophobicContact CD2-CD1 4.03Å; L160-L312 HydrophobicContact CD2-CD2 3.81Å; L160-L312 HydrophobicContact CD2-CG 4.25Å; L160-L312 HydrophobicContact CG-CD1 3.59Å; L160-L312 HydrophobicContact CG-CD2 3.99Å; L160-L312 HydrophobicContact CG-CG 3.87Å; K202-L312 PolarHBondContact O-N 3.15Å; Y203-L312 CarbonylContact C-O 3.51Å; Y203-L312 VanDerWaalsContact CA-O 3.27Å; Y203-L312 WeakPolarHBondContact CA-O 3.44Å; Y203-L312 HydrophobicContact CD1-CB 3.64Å; Y203-L312 HydrophobicContact CD1-CD1 4.17Å; Y203-L312 HydrophobicContact CE1-CB 3.89Å; Y203-L312 HydrophobicContact CE1-CD1 3.52Å; Y203-L312 HydrophobicContact CE1-CG 4.27Å; V204-L312 PolarHBondContact N-O 2.99Å; L312-K340 HydrophobicContact CD1-CD 3.76Å; L312-K340 HydrophobicContact CD1-CG 4.1Å; L312-K340 HydrophobicContact CD2-CB 4.09Å; L312-K340 HydrophobicContact CD2-CG 3.94Å
313L93.3Very high90.4Very high1 Ų148.5 Ų48.51%0.00529%0.285CS..EExtended strand (participates in β ladder)trans-100.7128.7169.5-164.5147.5000109.9V204 I206 I298 Y311 I333 W336 H338 F339 K340V204-L313 HydrophobicContact CB-CG 4.33Å; V204-L313 HydrophobicContact CG1-CD1 4.31Å; V204-L313 HydrophobicContact CG1-CG 4.35Å; V204-L313 WeakPolarHBondContact O-CA 3.32Å; I206-L313 HydrophobicContact CG1-CD2 3.93Å; I206-L313 HydrophobicContact CG1-CG 4.26Å; I298-L313 HydrophobicContact CD1-CD1 3.74Å; Y311-L313 HydrophobicContact CE2-CB 4.11Å; Y311-L313 HydrophobicContact CE2-CD1 4.39Å; L313-I333 HydrophobicContact CD2-CB 4.04Å; L313-I333 HydrophobicContact CD2-CD1 4.38Å; L313-W336 HydrophobicContact CD1-CE3 3.69Å; L313-W336 HydrophobicContact CD1-CZ3 4.31Å; L313-H338 PolarHBondContact N-O 3.49Å; L313-F339 HydrophobicContact CD2-CD2 3.57Å; L313-F339 HydrophobicContact CD2-CE2 4.26Å; L313-F339 WeakPolarHBondContact O-CA 3.26Å; L313-K340 PolarHBondContact O-N 2.84Å
314V94.8Very high90.7Very high0 Ų044.9 Ų44.90%026%0.263CS..EExtended strand (participates in β ladder)trans-136.3154.1178.3-640000110.7V204 I205 I206 D318 V319 K340V204-V314 PolarHBondContact O-N 2.82Å; I205-V314 WeakPolarHBondContact CA-O 3.45Å; I205-V314 HydrophobicContact CB-CG2 4.35Å; I205-V314 HydrophobicContact CG1-CG2 3.74Å; I205-V314 HydrophobicContact CG2-CG2 4.44Å; I206-V314 PolarHBondContact N-O 3.43Å; V314-D318 HydrophobicContact CB-CB 4.04Å; V314-D318 HydrophobicContact CG1-CB 4.44Å; V314-V319 HydrophobicContact CG2-CG1 4.19Å; V314-K340 HydrophobicContact CG1-CB 3.78Å; V314-K340 HydrophobicContact CG1-CD 3.95Å
315G97.4Very high91Very high0 Ų039.7 Ų39.70%024%0.239CC..EExtended strand (participates in β ladder)trans-75.5152.2161.100000110.6S317 D318G315-S317 PolarHBondContact O-N 3.09Å; G315-S317 VanDerWaalsContact O-N 3.15Å; G315-D318 PolarHBondContact N-OD2 3.43Å; G315-D318 WeakPolarHBondContact O-CB 3.26Å; G315-D318 PolarHBondContact O-N 3.39Å
316H97.2Very high91.2Very high17 Ų1737.6 Ų37.68%0.07922%0.218CC..G310 helixtrans-53.5-33.6174-165.3-175.4000112.8I205 I206 I207 H264 T265 D318 V319 V320 S324I205-H316 HydrophobicContact CG2-CB 4.12Å; I206-H316 PolarHBondContact O-N 2.97Å; I207-H316 HydrophobicContact CG1-CB 3.92Å; H264-H316 PolarHBondContact O-CE1 3.32Å; H264-H316 PolarHBondContact O-NE2 3.35Å; T265-H316 PolarHBondContact OG1-NE2 3.3Å; H316-D318 VanDerWaalsContact C-N 3.25Å; H316-D318 PolarHBondContact O-N 3.28Å; H316-V319 WeakPolarHBondContact O-CG2 3.42Å; H316-V319 PolarHBondContact O-N 3.1Å; H316-V320 PolarHBondContact O-N 3.32Å; H316-V320 VanDerWaalsContact O-N 3.12Å; H316-S324 CarbonylContact C-O 3.55Å; H316-S324 WeakPolarHBondContact CB-O 3.35Å; H316-S324 WeakPolarHBondContact CB-OG 3.44Å; H316-S324 PolarHBondContact ND1-OG 2.83Å
317S93.9Very high91Very high42 Ų4240.1 Ų40.129%0.29423%0.231SC..G310 helixtrans-66.1-19.7176.353.50000114.5G315 V319 V320 I322 S324G315-S317 PolarHBondContact O-N 3.09Å; G315-S317 VanDerWaalsContact O-N 3.15Å; S317-V319 VanDerWaalsContact C-N 3.26Å; S317-V319 PolarHBondContact O-N 3.35Å; S317-V320 CarbonylContact C-O 3.6Å; S317-V320 WeakPolarHBondContact CA-O 3.4Å; S317-I322 VanDerWaalsContact CB-O 3.26Å; S317-I322 WeakPolarHBondContact CB-O 3.49Å; S317-S324 WeakPolarHBondContact CA-O 3.37Å; S317-S324 VanDerWaalsContact CB-O 3.24Å; S317-S324 WeakPolarHBondContact CB-O 3.41Å; S317-S324 PolarHBondContact N-O 3.32Å
318D90.3Very high90.8Very high19 Ų1940.8 Ų40.810%0.10224%0.237CC..G310 helixtrans-77.9-17-179-62.2-31.1000112.8V314 G315 H316 Y330V314-D318 HydrophobicContact CB-CB 4.04Å; V314-D318 HydrophobicContact CG1-CB 4.44Å; G315-D318 PolarHBondContact N-OD2 3.43Å; G315-D318 WeakPolarHBondContact O-CB 3.26Å; G315-D318 PolarHBondContact O-N 3.39Å; H316-D318 VanDerWaalsContact C-N 3.25Å; H316-D318 PolarHBondContact O-N 3.28Å; D318-Y330 WeakPolarHBondContact OD1-CE2 3.47Å; D318-Y330 PolarHBondContact OD1-OH 3.28Å
319V88.4Confident91.4Very high37 Ų3739.4 Ų39.422%0.22423%0.228CC..THydrogen-bonded Turntrans-126.5-14.2-171.6-66.90000112.9I205 T265 F268 V314 H316 S317I205-V319 HydrophobicContact CD1-CG2 4.27Å; I205-V319 HydrophobicContact CG2-CG2 4.5Å; T265-V319 HydrophobicContact CG2-CG2 3.71Å; F268-V319 HydrophobicContact CD2-CB 4.22Å; F268-V319 HydrophobicContact CE1-CG1 4.11Å; F268-V319 HydrophobicContact CE2-CB 3.63Å; F268-V319 HydrophobicContact CE2-CG1 3.83Å; F268-V319 HydrophobicContact CE2-CG2 4.39Å; F268-V319 HydrophobicContact CZ-CB 3.93Å; F268-V319 HydrophobicContact CZ-CG1 3.55Å; V314-V319 HydrophobicContact CG2-CG1 4.19Å; H316-V319 WeakPolarHBondContact O-CG2 3.42Å; H316-V319 PolarHBondContact O-N 3.1Å; S317-V319 VanDerWaalsContact C-N 3.26Å; S317-V319 PolarHBondContact O-N 3.35Å
320V83.6Confident92.2Very high52 Ų5237.6 Ų37.632%0.31521%0.21SC..SBendtrans-139.6142.5175.7-179.40000108.9T265 H316 S317 I322T265-V320 HydrophobicContact CG2-CG2 3.58Å; H316-V320 PolarHBondContact O-N 3.32Å; H316-V320 VanDerWaalsContact O-N 3.12Å; S317-V320 CarbonylContact C-O 3.6Å; S317-V320 WeakPolarHBondContact CA-O 3.4Å; V320-I322 HydrophobicContact CB-CG2 4.1Å; V320-I322 HydrophobicContact CG1-CB 4.32Å; V320-I322 HydrophobicContact CG1-CG2 4.08Å; V320-I322 PolarHBondContact O-N 2.82Å
321S89.2Confident92.5Very high130 Ų13036.9 Ų36.991%0.90921%0.206SC*.SBendtrans-72.875.1175.2-166.80000111.2
322I87.5Confident92.3Very high88 Ų8838.1 Ų38.145%0.45121%0.214SC..SBendtrans-145.3157.5-179.7-166.2166.1000110.1S317 V320S317-I322 VanDerWaalsContact CB-O 3.26Å; S317-I322 WeakPolarHBondContact CB-O 3.49Å; V320-I322 HydrophobicContact CB-CG2 4.1Å; V320-I322 HydrophobicContact CG1-CB 4.32Å; V320-I322 HydrophobicContact CG1-CG2 4.08Å; V320-I322 PolarHBondContact O-N 2.82Å
323L93.3Very high92.6Very high96 Ų9637.5 Ų37.550%0.50321%0.211SC..  trans-74.7-23.6-178.4-173.658.9000114.3V282 G326V282-L323 HydrophobicContact CG1-CD2 4.42Å; V282-L323 HydrophobicContact CG2-CD2 3.51Å; V282-L323 HydrophobicContact CG2-CG 3.9Å; L323-G326 WeakPolarHBondContact O-CA 3.25Å; L323-G326 PolarHBondContact O-N 3.4Å
324S96.4Very high92.3Very high4 Ų439 Ų393%0.02822%0.221CC..THydrogen-bonded Turntrans-55.9140.5178173.10000110.7I207 H208 H316 S317 G326I207-S324 WeakPolarHBondContact CA-OG 3.08Å; H208-S324 PolarHBondContact N-OG 3.41Å; H208-S324 VanDerWaalsContact N-OG 3.08Å; H208-S324 WeakPolarHBondContact NE2-CA 3.4Å; H316-S324 CarbonylContact C-O 3.55Å; H316-S324 WeakPolarHBondContact CB-O 3.35Å; H316-S324 WeakPolarHBondContact CB-OG 3.44Å; H316-S324 PolarHBondContact ND1-OG 2.83Å; S317-S324 WeakPolarHBondContact CA-O 3.37Å; S317-S324 VanDerWaalsContact CB-O 3.24Å; S317-S324 WeakPolarHBondContact CB-O 3.41Å; S317-S324 PolarHBondContact N-O 3.32Å; S324-G326 VanDerWaalsContact C-N 3.3Å
325P97.8Very high91.8Very high0 Ų044.1 Ų44.10%025%0.252CS..THydrogen-bonded Turncis-84.812.37.434.3-34.3000114.7I206 H208 L329 Y330 I333I206-P325 HydrophobicContact CG2-CB 4.07Å; I206-P325 HydrophobicContact CG2-CG 4.38Å; I206-P325 WeakPolarHBondContact O-CB 2.97Å; H208-P325 WeakPolarHBondContact CB-O 3.4Å; H208-P325 VanDerWaalsContact CG-O 3.28Å; H208-P325 PolarHBondContact ND1-O 2.95Å; P325-L329 HydrophobicContact CB-CB 4.44Å; P325-L329 HydrophobicContact CB-CD2 3.8Å; P325-L329 HydrophobicContact CB-CG 4.02Å; P325-L329 HydrophobicContact CG-CG 4.4Å; P325-Y330 HydrophobicContact CG-CD2 4.34Å; P325-I333 HydrophobicContact CG-CD1 3.92Å
326G96.3Very high91.2Very high1 Ų145 Ų451%0.0126%0.256CS..  trans87145.1-173.800000111.8H208 F281 L323 S324 A328 L329 Y330H208-G326 PolarHBondContact ND1-N 3.49Å; F281-G326 CarbonylContact O-C 3.16Å; F281-G326 WeakPolarHBondContact O-CA 3Å; L323-G326 WeakPolarHBondContact O-CA 3.25Å; L323-G326 PolarHBondContact O-N 3.4Å; S324-G326 VanDerWaalsContact C-N 3.3Å; G326-A328 PolarHBondContact O-N 3.19Å; G326-L329 PolarHBondContact O-N 3.35Å; G326-Y330 VanDerWaalsContact O-CB 3.26Å; G326-Y330 WeakPolarHBondContact O-CB 3.41Å; G326-Y330 PolarHBondContact O-N 3.01Å
327Q94Very high90.3Very high100 Ų10048.5 Ų48.547%0.46728%0.28SS..Hα-helixtrans-58.4-42.5-169.5-168.764.959.900113.6F281 Y330 N331F281-Q327 PolarHBondContact O-N 3.24Å; Q327-Y330 PolarHBondContact O-N 3.19Å; Q327-N331 PolarHBondContact NE2-OD1 3.31Å; Q327-N331 WeakPolarHBondContact O-CB 3.31Å; Q327-N331 PolarHBondContact O-N 3.29Å; Q327-N331 PolarHBondContact O-ND2 2.95Å; Q327-N331 PolarHBondContact O-OD1 3.46Å
328A90.1Very high89.8Confident16 Ų1650.5 Ų50.513%0.13229%0.285CS..Hα-helixtrans-65.2-42.4-178.800000112.5F281 V282 K284 P285 G326F281-A328 WeakPolarHBondContact O-CB 3.27Å; F281-A328 PolarHBondContact O-N 2.94Å; F281-A328 VanDerWaalsContact O-N 3.12Å; V282-A328 WeakPolarHBondContact O-CB 3.41Å; V282-A328 PolarHBondContact O-N 3.39Å; K284-A328 VanDerWaalsContact C-CB 3.5Å; P285-A328 HydrophobicContact CB-CB 4.32Å; G326-A328 PolarHBondContact O-N 3.19Å
329L97.8Very high89.3Confident0 Ų050.3 Ų50.30%028%0.283CS..Hα-helixtrans-70.3-42.3174176.850.3000111.5I206 F277 F281 P286 L291 P325 G326 N331 I332 I333I206-L329 HydrophobicContact CG2-CD2 4.08Å; I206-L329 HydrophobicContact CG2-CG 4.33Å; F277-L329 HydrophobicContact CB-CD2 3.86Å; F277-L329 HydrophobicContact CD1-CD2 4.39Å; F277-L329 HydrophobicContact CD2-CD1 4.43Å; F277-L329 HydrophobicContact CD2-CD2 3.54Å; F277-L329 HydrophobicContact CE2-CD1 4.25Å; F277-L329 HydrophobicContact CE2-CD2 4.15Å; F277-L329 HydrophobicContact CG-CD2 3.67Å; F277-L329 HydrophobicContact CZ-CD1 4.33Å; F281-L329 HydrophobicContact CB-CB 3.67Å; F281-L329 HydrophobicContact CB-CD2 4.37Å; F281-L329 HydrophobicContact CD2-CD2 3.94Å; F281-L329 HydrophobicContact CG-CB 4.38Å; F281-L329 HydrophobicContact CG-CD2 4.35Å; F281-L329 PolarHBondContact O-N 3.04Å; P286-L329 HydrophobicContact CG-CB 4.43Å; P286-L329 HydrophobicContact CG-CD1 3.79Å; P286-L329 HydrophobicContact CG-CD2 4Å; P286-L329 HydrophobicContact CG-CG 4.3Å; L291-L329 HydrophobicContact CD2-CD1 3.94Å; P325-L329 HydrophobicContact CB-CB 4.44Å; P325-L329 HydrophobicContact CB-CD2 3.8Å; P325-L329 HydrophobicContact CB-CG 4.02Å; P325-L329 HydrophobicContact CG-CG 4.4Å; G326-L329 PolarHBondContact O-N 3.35Å; L329-N331 VanDerWaalsContact C-N 3.31Å; L329-N331 PolarHBondContact O-N 3.34Å; L329-I332 PolarHBondContact O-N 2.87Å; L329-I333 HydrophobicContact CD1-CG2 3.8Å; L329-I333 HydrophobicContact CG-CG2 4.41Å; L329-I333 PolarHBondContact O-N 3.22Å
330Y96.1Very high88.7Confident54 Ų5449.8 Ų49.821%0.21228%0.277CS..Hα-helixtrans-54.9-46.2177.5-174.8-88.4000111.9D318 P325 G326 Q327 I332 I333 S334 F339D318-Y330 WeakPolarHBondContact OD1-CE2 3.47Å; D318-Y330 PolarHBondContact OD1-OH 3.28Å; P325-Y330 HydrophobicContact CG-CD2 4.34Å; G326-Y330 VanDerWaalsContact O-CB 3.26Å; G326-Y330 WeakPolarHBondContact O-CB 3.41Å; G326-Y330 PolarHBondContact O-N 3.01Å; Q327-Y330 PolarHBondContact O-N 3.19Å; Y330-I332 PolarHBondContact O-N 3.18Å; Y330-I333 HydrophobicContact CD2-CD1 4.43Å; Y330-I333 VanDerWaalsContact O-CG1 3.26Å; Y330-I333 WeakPolarHBondContact O-CG1 3.39Å; Y330-I333 PolarHBondContact O-N 2.97Å; Y330-S334 WeakPolarHBondContact O-CB 3.17Å; Y330-S334 PolarHBondContact O-N 3.26Å; Y330-F339 HydrophobicContact CE1-CZ 4.48Å; Y330-F339 HydrophobicContact CE2-CE2 4.5Å; Y330-F339 HydrophobicContact CE2-CZ 4Å; Y330-F339 AromaticContact CZ-CZ 3.8Å
331N89.5Confident87.5Confident85 Ų8554.4 Ų54.446%0.45530%0.295SS..Hα-helixtrans-57.6-37.3177.3-70.5-11.3000112.2Q327 L329 S334Q327-N331 PolarHBondContact NE2-OD1 3.31Å; Q327-N331 WeakPolarHBondContact O-CB 3.31Å; Q327-N331 PolarHBondContact O-N 3.29Å; Q327-N331 PolarHBondContact O-ND2 2.95Å; Q327-N331 PolarHBondContact O-OD1 3.46Å; L329-N331 VanDerWaalsContact C-N 3.31Å; L329-N331 PolarHBondContact O-N 3.34Å; N331-S334 PolarHBondContact O-OG 3.46Å
332I84.2Confident87.4Confident46 Ų4650.7 Ų50.724%0.23627%0.265CS..Hα-helixtrans-73-52.6179.6-67.1173.6000110.8P285 L291 L329 Y330 S334 T335P285-I332 HydrophobicContact CB-CD1 3.32Å; P285-I332 HydrophobicContact CG-CD1 4.23Å; L291-I332 HydrophobicContact CD1-CD1 4.04Å; L291-I332 HydrophobicContact CD1-CG2 4.18Å; L291-I332 HydrophobicContact CD2-CG2 4.03Å; L329-I332 PolarHBondContact O-N 2.87Å; Y330-I332 PolarHBondContact O-N 3.18Å; I332-S334 PolarHBondContact O-N 2.03Å; I332-S334 VanDerWaalsContact O-N 3.14Å; I332-T335 PolarHBondContact O-N 3.35Å; I332-T335 PolarHBondContact O-OG1 2.93Å
333I92.8Very high87.4Confident0 Ų048.7 Ų48.70%026%0.255CS..Hα-helixtrans-62.4-25.1-178.165173.2000111.8I206 L313 P325 L329 Y330 T335 W336 F339I206-I333 HydrophobicContact CB-CD1 3.71Å; I206-I333 HydrophobicContact CB-CG2 4.5Å; I206-I333 HydrophobicContact CG1-CD1 4Å; I206-I333 HydrophobicContact CG1-CG2 4.2Å; I206-I333 HydrophobicContact CG2-CD1 4.09Å; I206-I333 HydrophobicContact CG2-CG2 4.15Å; L313-I333 HydrophobicContact CD2-CB 4.04Å; L313-I333 HydrophobicContact CD2-CD1 4.38Å; P325-I333 HydrophobicContact CG-CD1 3.92Å; L329-I333 HydrophobicContact CD1-CG2 3.8Å; L329-I333 HydrophobicContact CG-CG2 4.41Å; L329-I333 PolarHBondContact O-N 3.22Å; Y330-I333 HydrophobicContact CD2-CD1 4.43Å; Y330-I333 VanDerWaalsContact O-CG1 3.26Å; Y330-I333 WeakPolarHBondContact O-CG1 3.39Å; Y330-I333 PolarHBondContact O-N 2.97Å; I333-T335 PolarHBondContact O-N 3.38Å; I333-T335 VanDerWaalsContact O-N 3.08Å; I333-W336 HydrophobicContact CB-CD2 4.31Å; I333-W336 HydrophobicContact CB-CE3 4.46Å; I333-W336 HydrophobicContact CG2-CD2 4.14Å; I333-W336 HydrophobicContact CG2-CE3 4.16Å; I333-W336 HydrophobicContact CG2-CH2 4.14Å; I333-W336 HydrophobicContact CG2-CZ2 4.12Å; I333-W336 HydrophobicContact CG2-CZ3 4.15Å; I333-W336 WeakPolarHBondContact O-CB 3.36Å; I333-W336 PolarHBondContact O-N 3.02Å; I333-F339 VanDerWaalsContact C-CD2 3.49Å; I333-F339 HydrophobicContact CB-CD2 4.43Å; I333-F339 HydrophobicContact CD1-CE2 4.02Å; I333-F339 HydrophobicContact CG1-CD2 4.2Å; I333-F339 HydrophobicContact CG1-CE2 3.81Å; I333-F339 WeakPolarHBondContact O-CB 3.44Å; I333-F339 WeakPolarHBondContact O-CD2 3.48Å; I333-F339 WeakPolarHBondContact O-CG 3.46Å
334S87.9Confident87.1Confident32 Ų3246.1 Ų46.122%0.22424%0.241CC..THydrogen-bonded Turntrans-61.9-14.3174.180.80000114.4Y330 N331 I332 F339 H341Y330-S334 WeakPolarHBondContact O-CB 3.17Å; Y330-S334 PolarHBondContact O-N 3.26Å; N331-S334 PolarHBondContact O-OG 3.46Å; I332-S334 PolarHBondContact O-N 2.03Å; I332-S334 VanDerWaalsContact O-N 3.14Å; S334-F339 VanDerWaalsContact CA-CG 3.48Å; S334-H341 PolarHBondContact O-CE1 3.37Å
335T85.1Confident86.5Confident107 Ų10748.5 Ų48.566%0.65625%0.254SS*.THydrogen-bonded Turntrans-100.8-3.6176.270.50000113.2I332 I333I332-T335 PolarHBondContact O-N 3.35Å; I332-T335 PolarHBondContact O-OG1 2.93Å; I333-T335 PolarHBondContact O-N 3.38Å; I333-T335 VanDerWaalsContact O-N 3.08Å
336W83.6Confident85.8Confident19 Ų1951.6 Ų51.67%0.07227%0.27CS..SBendtrans-76.8153.8-178.7-68.77.6000111.9I206 F277 L291 A294 Q295 I298 L313 I333 F339I206-W336 HydrophobicContact CD1-CZ3 4.38Å; F277-W336 HydrophobicContact CZ-CH2 4.1Å; L291-W336 HydrophobicContact CB-CZ2 4.26Å; L291-W336 HydrophobicContact CD2-CH2 4.5Å; L291-W336 HydrophobicContact CD2-CZ2 3.84Å; A294-W336 HydrophobicContact CB-CH2 3.88Å; A294-W336 HydrophobicContact CB-CZ3 4.34Å; Q295-W336 HydrophobicContact CG-CD2 4.05Å; Q295-W336 HydrophobicContact CG-CE3 4.06Å; Q295-W336 HydrophobicContact CG-CH2 3.87Å; Q295-W336 HydrophobicContact CG-CZ2 3.83Å; Q295-W336 HydrophobicContact CG-CZ3 3.99Å; Q295-W336 VanDerWaalsContact NE2-CE2 3.32Å; Q295-W336 VanDerWaalsContact NE2-NE1 3.16Å; I298-W336 HydrophobicContact CD1-CE3 4.28Å; I298-W336 HydrophobicContact CD1-CZ3 3.91Å; L313-W336 HydrophobicContact CD1-CE3 3.69Å; L313-W336 HydrophobicContact CD1-CZ3 4.31Å; I333-W336 HydrophobicContact CB-CD2 4.31Å; I333-W336 HydrophobicContact CB-CE3 4.46Å; I333-W336 HydrophobicContact CG2-CD2 4.14Å; I333-W336 HydrophobicContact CG2-CE3 4.16Å; I333-W336 HydrophobicContact CG2-CH2 4.14Å; I333-W336 HydrophobicContact CG2-CZ2 4.12Å; I333-W336 HydrophobicContact CG2-CZ3 4.15Å; I333-W336 WeakPolarHBondContact O-CB 3.36Å; I333-W336 PolarHBondContact O-N 3.02Å; W336-F339 VanDerWaalsContact O-CB 3.29Å; W336-F339 WeakPolarHBondContact O-CB 3.49Å; W336-F339 PolarHBondContact O-N 3.41Å
337P78.6Confident85.1Confident91 Ų9154.9 Ų54.959%0.59129%0.287SS*.THydrogen-bonded Turntrans-53.9147.5169-24.234.7000111.1F339P337-F339 PolarHBondContact O-N 3.12Å; P337-F339 VanDerWaalsContact O-N 3.09Å
338H82.7Confident84.5Confident84 Ų8451.7 Ų51.739%0.38927%0.274SS..THydrogen-bonded Turntrans635.8-178.3-60-95.1000115.2P309 Y311 L313 K340P309-H338 PolarHBondContact O-CE1 2.87Å; Y311-H338 HydrophobicContact CD2-CB 3.97Å; Y311-H338 HydrophobicContact CE1-CB 4.17Å; Y311-H338 AromaticContact CE1-CD2 3.59Å; Y311-H338 AromaticContact CE1-CG 3.65Å; Y311-H338 AromaticContact CE1-ND1 3.98Å; Y311-H338 AromaticContact CE1-NE2 3.94Å; Y311-H338 HydrophobicContact CE2-CB 3.51Å; Y311-H338 AromaticContact CE2-CG 3.95Å; Y311-H338 HydrophobicContact CG-CB 4.46Å; Y311-H338 AromaticContact CZ-CD2 3.57Å; Y311-H338 AromaticContact CZ-CG 3.54Å; Y311-H338 WeakPolarHBondContact O-CB 3.32Å; Y311-H338 PolarHBondContact O-ND1 3.48Å; Y311-H338 VanDerWaalsContact O-ND1 3.09Å; Y311-H338 PolarHBondContact OH-CD2 2.95Å; L313-H338 PolarHBondContact N-O 3.49Å; H338-K340 PolarHBondContact O-N 2.92Å
339F79.9Confident84.1Confident14 Ų1454.5 Ų54.56%0.06129%0.285CS..BIsolated β-bridgetrans-62.4128.1172.1-171.5-90.9000110.2L313 Y330 I333 S334 W336 P337 H341L313-F339 HydrophobicContact CD2-CD2 3.57Å; L313-F339 HydrophobicContact CD2-CE2 4.26Å; L313-F339 WeakPolarHBondContact O-CA 3.26Å; Y330-F339 HydrophobicContact CE1-CZ 4.48Å; Y330-F339 HydrophobicContact CE2-CE2 4.5Å; Y330-F339 HydrophobicContact CE2-CZ 4Å; Y330-F339 AromaticContact CZ-CZ 3.8Å; I333-F339 VanDerWaalsContact C-CD2 3.49Å; I333-F339 HydrophobicContact CB-CD2 4.43Å; I333-F339 HydrophobicContact CD1-CE2 4.02Å; I333-F339 HydrophobicContact CG1-CD2 4.2Å; I333-F339 HydrophobicContact CG1-CE2 3.81Å; I333-F339 WeakPolarHBondContact O-CB 3.44Å; I333-F339 WeakPolarHBondContact O-CD2 3.48Å; I333-F339 WeakPolarHBondContact O-CG 3.46Å; S334-F339 VanDerWaalsContact CA-CG 3.48Å; W336-F339 VanDerWaalsContact O-CB 3.29Å; W336-F339 WeakPolarHBondContact O-CB 3.49Å; W336-F339 PolarHBondContact O-N 3.41Å; P337-F339 PolarHBondContact O-N 3.12Å; P337-F339 VanDerWaalsContact O-N 3.09Å; F339-H341 AromaticContact CD1-ND1 3.89Å; F339-H341 PolarHBondContact O-N 3.04Å
340K76.1Confident83Confident26 Ų2659 Ų5911%0.11331%0.309CS..  trans-76.595.8179.9-157.9-16891.4-1620109.7L158 L312 L313 V314 H338L158-K340 HydrophobicContact CB-CD 4.16Å; L158-K340 HydrophobicContact CD2-CD 3.66Å; L158-K340 HydrophobicContact CD2-CG 4.44Å; L158-K340 HydrophobicContact CG-CD 4.24Å; L312-K340 HydrophobicContact CD1-CD 3.76Å; L312-K340 HydrophobicContact CD1-CG 4.1Å; L312-K340 HydrophobicContact CD2-CB 4.09Å; L312-K340 HydrophobicContact CD2-CG 3.94Å; L313-K340 PolarHBondContact O-N 2.84Å; V314-K340 HydrophobicContact CG1-CB 3.78Å; V314-K340 HydrophobicContact CG1-CD 3.95Å; H338-K340 PolarHBondContact O-N 2.92Å
341H59Low81.8Confident150 Ų15059.5 Ų59.569%0.69432%0.317SS*.  trans-64.70-177.5-81-49.3000114.6M1 S334 F339M1-H341 WeakPolarHBondContact CA-OXT 3.26Å; M1-H341 PolarHBondContact N-OXT 2.71Å; M1-H341 VanDerWaalsContact O-OXT 3.05Å; S334-H341 PolarHBondContact O-CE1 3.37Å; F339-H341 AromaticContact CD1-ND1 3.89Å; F339-H341 PolarHBondContact O-N 3.04Å

Retrieved 341 of 341 residues in 341.2 ms (Link to these results)

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