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Guanine nucleotide-binding protein G(i) subunit alpha-2

Guanine nucleotide-binding proteins (G proteins) function as transducers downstream of G protein-coupled receptors (GPCRs) in numerous signaling cascades1,2,3,4. The alpha chain contains the guanine nucleotide binding site and alternates between an active, GTP-bound state and an inactive, GDP-bound state5. Signaling by an activated GPCR promotes GDP release and GTP binding6. Examples of interacting GPCRs include the adenosine A1 receptor/ADORA1, CNR1, and FPR27,8,9. The alpha subunit has a low GTPase activity that converts bound GTP to GDP, thereby terminating the signal. Both GDP release and GTP hydrolysis are modulated by numerous regulatory proteins10. Signaling is mediated via effector proteins, such as adenylate cyclase: inhibits adenylate cyclase activity of ADCY1, ADCY5 and ADCY6, leading to decreased intracellular cAMP levels. Plays an important role in the activation of the transcription factor NFAT in endothelial cells to promote angiogenesis11. The G(i) proteins are involved in hormonal regulation of adenylate cyclase: they inhibit the cyclase in response to beta-adrenergic stimuli. Plays an essential role for neutrophil recruitment in the context of acute inflammation suggesting a linked function of both GNAI2 in neutrophils and endothelial cells for polymorphonuclear neutrophils transmigration (By similarity). Regulates the cell surface density of dopamine receptors DRD2 by sequestrating them as an intracellular pool.

AlphaFold DB , UniProt , Accession P04899, Species HUMAN (Homo sapiens, Human), Gene GNAI2, Length 355 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
1M41.2Very low72Confident241 Ų241108.8 Ų108.8100%1.18766%0.655SS**  0108.10-67.9-165.3-129.700107.3C3M1-C3 PolarHBondContact O-N 3.21Å
2G52.7Low73.3Confident75 Ų75103.3 Ų103.377%0.77363%0.629SS**  trans-75.3109.3176.300000108.4T4G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.01Å
3C56.9Low74.5Confident125 Ų12599.3 Ų99.385%0.84561%0.614SS**  trans-64.194.2169.8-71.60000107.8M1 V5M1-C3 PolarHBondContact O-N 3.21Å; C3-V5 PolarHBondContact O-N 2.85Å
4T63.7Low75.6Confident134 Ų134100.7 Ų100.782%0.82261%0.61SS**  trans-66.8101.8170.948.20000107.1G2 S6G2-T4 VanDerWaalsContact C-N 3.27Å; G2-T4 PolarHBondContact O-N 3.01Å; T4-S6 PolarHBondContact O-N 3.28Å
5V68.7Low76.7Confident84 Ų84103.6 Ų103.651%0.50961%0.605SS.*  trans-49.9123171.3-175.70000107.8C3 D9 K10C3-V5 PolarHBondContact O-N 2.85Å; V5-D9 HydrophobicContact CG1-CB 3.5Å; V5-D9 VanDerWaalsContact CG1-CB 3.5Å; V5-K10 HydrophobicContact CB-CG 4.28Å; V5-K10 HydrophobicContact CG1-CG 3.71Å
6S81.6Confident77.6Confident45 Ų45100.9 Ų100.932%0.31559%0.594SS.*  trans-63.3156.1-177.673.30000110.2T4 E8 D9 K10T4-S6 PolarHBondContact O-N 3.28Å; S6-E8 PolarHBondContact O-N 2.67Å; S6-D9 WeakPolarHBondContact CB-OD2 3.43Å; S6-D9 PolarHBondContact N-OD2 3.17Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 WeakPolarHBondContact OG-CB 3.35Å; S6-D9 PolarHBondContact OG-N 3.01Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; S6-K10 PolarHBondContact O-N 3.26Å
7A83.1Confident78.5Confident86 Ų86104.1 Ų104.171%0.71160%0.599SS**Hα-helixtrans-58.5-32.5174.900000111.5A11A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.01Å
8E84.1Confident79.2Confident158 Ų158105 Ų10574%0.73860%0.598SS**Hα-helixtrans-67.2-43.6175.2-66.7-179.1172.900112.2S6 A11 A12S6-E8 PolarHBondContact O-N 2.67Å; E8-A11 PolarHBondContact O-N 2.81Å; E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.39Å
9D86.3Confident79.8Confident93 Ų93104.5 Ų104.550%0.49759%0.592SS.*Hα-helixtrans-64.7-39.7176.7-65.6-40.3000111.7V5 S6 A12 A13V5-D9 HydrophobicContact CG1-CB 3.5Å; V5-D9 VanDerWaalsContact CG1-CB 3.5Å; S6-D9 WeakPolarHBondContact CB-OD2 3.43Å; S6-D9 PolarHBondContact N-OD2 3.17Å; S6-D9 PolarHBondContact O-N 3.31Å; S6-D9 WeakPolarHBondContact OG-CB 3.35Å; S6-D9 PolarHBondContact OG-N 3.01Å; S6-D9 PolarHBondContact OG-OD2 3.02Å; D9-A12 PolarHBondContact O-N 3Å; D9-A13 WeakPolarHBondContact O-CB 3.35Å; D9-A13 PolarHBondContact O-N 2.89Å
10K86Confident80.3Confident124 Ų124103.9 Ų103.954%0.53959%0.588SS.*Hα-helixtrans-62.4-47.8174-70.9-173.8-177.1178.70111.1V5 S6 A12 A13 E14V5-K10 HydrophobicContact CB-CG 4.28Å; V5-K10 HydrophobicContact CG1-CG 3.71Å; S6-K10 PolarHBondContact O-N 3.26Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.31Å; K10-A13 PolarHBondContact O-N 2.93Å; K10-E14 WeakPolarHBondContact O-CG 3.36Å; K10-E14 PolarHBondContact O-N 3.43Å
11A87.9Confident80.8Confident32 Ų32104.5 Ų104.526%0.26458%0.584SS.*Hα-helixtrans-64.5-35.417800000112.1A7 E8 R15A7-A11 WeakPolarHBondContact O-CB 3.39Å; A7-A11 PolarHBondContact O-N 3.01Å; E8-A11 PolarHBondContact O-N 2.81Å; A11-R15 WeakPolarHBondContact O-CG 3.32Å; A11-R15 PolarHBondContact O-N 3.43Å; A11-R15 PolarHBondContact O-NH1 2.9Å
12A87.7Confident83.2Confident42 Ų4297 Ų9735%0.34755%0.548SS..Hα-helixtrans-67.5-43.7174.700000112E8 D9 K10 E14 R15 S16E8-A12 VanDerWaalsContact O-CB 3.32Å; E8-A12 WeakPolarHBondContact O-CB 3.46Å; E8-A12 PolarHBondContact O-N 3.39Å; D9-A12 PolarHBondContact O-N 3Å; K10-A12 VanDerWaalsContact C-N 3.31Å; K10-A12 PolarHBondContact O-N 3.31Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.37Å; A12-R15 PolarHBondContact O-N 3.49Å; A12-S16 PolarHBondContact O-N 3.3Å
13A88.8Confident84.8Confident52 Ų5298.6 Ų98.643%0.4354%0.539SS..Hα-helixtrans-64.4-37.8175.700000112.3D9 K10 S16 K17D9-A13 WeakPolarHBondContact O-CB 3.35Å; D9-A13 PolarHBondContact O-N 2.89Å; K10-A13 PolarHBondContact O-N 2.93Å; A13-S16 PolarHBondContact O-N 3.32Å; A13-K17 WeakPolarHBondContact O-CG 3.4Å; A13-K17 PolarHBondContact O-N 2.98Å
14E90.2Very high86.1Confident119 Ų119100.4 Ų100.456%0.55653%0.528SS*.Hα-helixtrans-64.6-45173.3-75.6175.4-178.400111.8K10 A12 S16 K17 M18K10-E14 WeakPolarHBondContact O-CG 3.36Å; K10-E14 PolarHBondContact O-N 3.43Å; A12-E14 VanDerWaalsContact C-N 3.34Å; A12-E14 PolarHBondContact O-N 3.37Å; E14-S16 PolarHBondContact O-N 3.49Å; E14-K17 PolarHBondContact O-N 3.49Å; E14-M18 WeakPolarHBondContact O-CG 3.35Å; E14-M18 PolarHBondContact O-N 3.04Å
15R91.2Very high87Confident144 Ų14497.2 Ų97.254%0.54350%0.504SS..Hα-helixtrans-60-44.8174-75.2-173.1-61.3-903112.3A11 A12 K17 M18 I19A11-R15 WeakPolarHBondContact O-CG 3.32Å; A11-R15 PolarHBondContact O-N 3.43Å; A11-R15 PolarHBondContact O-NH1 2.9Å; A12-R15 PolarHBondContact O-N 3.49Å; R15-K17 PolarHBondContact O-N 3.34Å; R15-M18 PolarHBondContact O-N 3.44Å; R15-I19 VanDerWaalsContact O-CG1 3.31Å; R15-I19 WeakPolarHBondContact O-CG1 3.31Å; R15-I19 PolarHBondContact O-N 2.91Å
16S92.2Very high87.7Confident60 Ų6097.5 Ų97.542%0.4250%0.502SS..Hα-helixtrans-60.1-46.9177.8-166.80000111.4A12 A13 E14 M18 I19 D20A12-S16 PolarHBondContact O-N 3.3Å; A13-S16 PolarHBondContact O-N 3.32Å; E14-S16 PolarHBondContact O-N 3.49Å; S16-M18 VanDerWaalsContact C-N 3.29Å; S16-M18 PolarHBondContact O-N 3.37Å; S16-I19 PolarHBondContact O-N 3.14Å; S16-I19 VanDerWaalsContact O-N 3.14Å; S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.89Å
17K92.1Very high87.7Confident156 Ų15697.3 Ų97.368%0.67851%0.507SS*.Hα-helixtrans-61.5-37.1176.4-74.2176.7-178.91800112.7A13 E14 R15 K21A13-K17 WeakPolarHBondContact O-CG 3.4Å; A13-K17 PolarHBondContact O-N 2.98Å; E14-K17 PolarHBondContact O-N 3.49Å; R15-K17 PolarHBondContact O-N 3.34Å; K17-K21 VanDerWaalsContact O-CB 3.3Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 PolarHBondContact O-N 2.92Å
18M91.1Very high87.5Confident120 Ų12098.1 Ų98.159%0.59150%0.496SS*.Hα-helixtrans-66.9-40.4174.6-72.2-178.8-177.900111.7E14 R15 S16 K21 N22E14-M18 WeakPolarHBondContact O-CG 3.35Å; E14-M18 PolarHBondContact O-N 3.04Å; R15-M18 PolarHBondContact O-N 3.44Å; S16-M18 VanDerWaalsContact C-N 3.29Å; S16-M18 PolarHBondContact O-N 3.37Å; M18-K21 PolarHBondContact O-N 3.22Å; M18-N22 WeakPolarHBondContact O-CB 3.3Å; M18-N22 PolarHBondContact O-N 3.01Å; M18-N22 PolarHBondContact O-OD1 3.49Å
19I90.8Very high87.2Confident95 Ų9596.7 Ų96.749%0.48749%0.487SS..Hα-helixtrans-62.8-49.5175.2-68163.9000110.3R15 S16 K21 N22 L23R15-I19 VanDerWaalsContact O-CG1 3.31Å; R15-I19 WeakPolarHBondContact O-CG1 3.31Å; R15-I19 PolarHBondContact O-N 2.91Å; S16-I19 PolarHBondContact O-N 3.14Å; S16-I19 VanDerWaalsContact O-N 3.14Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.97Å; I19-N22 PolarHBondContact O-N 2.84Å; I19-N22 VanDerWaalsContact O-N 3.16Å; I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.48Å
20D90.8Very high86.8Confident93 Ų9395.3 Ų95.350%0.49749%0.489SS..Hα-helixtrans-60.3-39.7179.3-65.3-30.2000111.8S16 R24S16-D20 VanDerWaalsContact O-CG 3.31Å; S16-D20 PolarHBondContact O-N 2.89Å; D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 VanDerWaalsContact O-N 3.08Å
21K90.8Very high86.5Confident116 Ų11692.5 Ų92.550%0.50449%0.489SS..Hα-helixtrans-63.5-47.9174.6-178.3-178.5167.7-174.80111.5K17 M18 I19 R24 E25K17-K21 VanDerWaalsContact O-CB 3.3Å; K17-K21 WeakPolarHBondContact O-CB 3.44Å; K17-K21 PolarHBondContact O-N 2.92Å; M18-K21 PolarHBondContact O-N 3.22Å; I19-K21 VanDerWaalsContact C-N 3.28Å; I19-K21 PolarHBondContact O-N 2.97Å; K21-R24 PolarHBondContact O-N 3.28Å; K21-E25 WeakPolarHBondContact CE-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.76Å; K21-E25 WeakPolarHBondContact O-CG 2.84Å; K21-E25 PolarHBondContact O-N 3.34Å
22N89.8Confident86.4Confident83 Ų8397.5 Ų97.544%0.44450%0.501SS..Hα-helixtrans-63.2-43.2179.2-69.5-6.8000111.3M18 I19 R24 E25 D26M18-N22 WeakPolarHBondContact O-CB 3.3Å; M18-N22 PolarHBondContact O-N 3.01Å; M18-N22 PolarHBondContact O-OD1 3.49Å; I19-N22 PolarHBondContact O-N 2.84Å; I19-N22 VanDerWaalsContact O-N 3.16Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 3.08Å; N22-E25 PolarHBondContact O-N 2.8Å; N22-D26 WeakPolarHBondContact O-CB 3.31Å; N22-D26 VanDerWaalsContact O-CG 3.23Å; N22-D26 PolarHBondContact O-N 3.35Å
23L87.2Confident86.6Confident110 Ų11099.3 Ų99.358%0.57650%0.502SS*.Hα-helixtrans-60.1-38.8176.5-72.8173.8000112.1I19 G27I19-L23 HydrophobicContact CG2-CD1 3.83Å; I19-L23 HydrophobicContact CG2-CG 4.21Å; I19-L23 WeakPolarHBondContact O-CB 3.32Å; I19-L23 VanDerWaalsContact O-CG 3.32Å; I19-L23 WeakPolarHBondContact O-CG 3.47Å; I19-L23 PolarHBondContact O-N 3.48Å; L23-G27 PolarHBondContact O-N 2.91Å
24R83.7Confident86.8Confident162 Ų16296.8 Ų96.861%0.61148%0.482SS*.Hα-helixtrans-67.9-45.5175.2-169.5-178.669.8169.55111.8D20 K21 N22 D26 G27 E28D20-R24 PolarHBondContact O-N 3.16Å; D20-R24 VanDerWaalsContact O-N 3.08Å; K21-R24 PolarHBondContact O-N 3.28Å; N22-R24 VanDerWaalsContact C-N 3.28Å; N22-R24 PolarHBondContact O-N 3.08Å; R24-D26 VanDerWaalsContact C-N 3.32Å; R24-D26 PolarHBondContact O-N 3.28Å; R24-G27 PolarHBondContact O-N 2.86Å; R24-E28 IonicContact NE-OE1 2.82Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.98Å
25E83.5Confident87Confident68 Ų6892.9 Ų92.932%0.31846%0.463SS..Hα-helixtrans-62.6-39.1177-72.4178.5-17400112K21 N22 E28 K29K21-E25 WeakPolarHBondContact CE-OE1 3.44Å; K21-E25 IonicContact NZ-OE1 3.76Å; K21-E25 WeakPolarHBondContact O-CG 2.84Å; K21-E25 PolarHBondContact O-N 3.34Å; N22-E25 PolarHBondContact O-N 2.8Å; E25-E28 PolarHBondContact O-N 3.45Å; E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.36Å; E25-K29 PolarHBondContact O-N 3.21Å
26D83.1Confident87.3Confident90 Ų9086 Ų8648%0.48144%0.437SS..Hα-helixtrans-68.6-38.9175.8-70.4-17.7000111.3N22 R24 K29 A30N22-D26 WeakPolarHBondContact O-CB 3.31Å; N22-D26 VanDerWaalsContact O-CG 3.23Å; N22-D26 PolarHBondContact O-N 3.35Å; R24-D26 VanDerWaalsContact C-N 3.32Å; R24-D26 PolarHBondContact O-N 3.28Å; D26-K29 PolarHBondContact O-N 2.92Å; D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.15Å
27G80.7Confident87.6Confident40 Ų4083.1 Ų83.141%0.41242%0.417SS..Hα-helixtrans-62.6-43172.800000112.9L23 R24 A30 A31L23-G27 PolarHBondContact O-N 2.91Å; R24-G27 PolarHBondContact O-N 2.86Å; G27-A30 PolarHBondContact O-N 3.37Å; G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.43Å
28E78.9Confident87.8Confident104 Ų10475.7 Ų75.749%0.48639%0.385SS..Hα-helixtrans-65.5-39.9176.1-74.3174.4-164.200112.2R24 E25 R32R24-E28 IonicContact NE-OE1 2.82Å; R24-E28 WeakPolarHBondContact O-CG 3.39Å; R24-E28 PolarHBondContact O-N 2.98Å; E25-E28 PolarHBondContact O-N 3.45Å; E28-R32 PolarHBondContact O-N 3.42Å
29K79Confident88.2Confident127 Ų12770 Ų7055%0.55236%0.357SS*.Hα-helixtrans-65.2-46.6173.9-74.6172-172.5165.40111.6E25 D26 A31 R32 E33E25-K29 VanDerWaalsContact O-CG 3.31Å; E25-K29 WeakPolarHBondContact O-CG 3.36Å; E25-K29 PolarHBondContact O-N 3.21Å; D26-K29 PolarHBondContact O-N 2.92Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.45Å; K29-R32 PolarHBondContact O-N 2.96Å; K29-E33 PolarHBondContact O-N 2.87Å; K29-E33 VanDerWaalsContact O-N 3.15Å
30A77Confident88.5Confident65 Ų6565.5 Ų65.554%0.53733%0.333SS..Hα-helixtrans-60.9-36.9178.400000111.8D26 G27 R32 E33D26-A30 VanDerWaalsContact O-CB 3.26Å; D26-A30 WeakPolarHBondContact O-CB 3.41Å; D26-A30 PolarHBondContact O-N 3.15Å; G27-A30 PolarHBondContact O-N 3.37Å; A30-R32 PolarHBondContact O-N 3.04Å; A30-E33 PolarHBondContact O-N 3.33Å
31A79.4Confident88.8Confident65 Ų6561.5 Ų61.554%0.53731%0.314SS..Hα-helixtrans-65.8-20.817600000113.8G27 K29G27-A31 WeakPolarHBondContact O-CB 3.26Å; G27-A31 PolarHBondContact O-N 3.43Å; K29-A31 VanDerWaalsContact C-N 3.26Å; K29-A31 PolarHBondContact O-N 3.45Å
32R86.7Confident89Confident136 Ų13657 Ų5751%0.51330%0.3SS..Hα-helixtrans-100.2-4.4176.5-63.5-177-172.9-166.21.2113.4E28 K29 A30 L195 H196E28-R32 PolarHBondContact O-N 3.42Å; K29-R32 PolarHBondContact O-N 2.96Å; A30-R32 PolarHBondContact O-N 3.04Å; R32-L195 HydrophobicContact CB-CD2 4.37Å; R32-L195 WeakPolarHBondContact O-CA 3.39Å; R32-H196 PolarHBondContact O-N 3.27Å
33E91.5Very high89.2Confident80 Ų8055.3 Ų55.337%0.37429%0.289SS..EExtended strand (participates in β ladder)trans-87.5129.5178.8-172.5170.3112.400110.4K29 A30 H196 K198K29-E33 PolarHBondContact O-N 2.87Å; K29-E33 VanDerWaalsContact O-N 3.15Å; A30-E33 PolarHBondContact O-N 3.33Å; E33-H196 WeakPolarHBondContact CA-O 3.4Å; E33-K198 HydrophobicContact CG-CD 4.25Å; E33-K198 HydrophobicContact CG-CG 4.41Å; E33-K198 WeakPolarHBondContact OE1-CE 3.4Å; E33-K198 IonicContact OE1-NZ 2.73Å; E33-K198 PolarHBondContact OE1-NZ 3.04Å; E33-K198 WeakPolarHBondContact OE2-CE 3.25Å; E33-K198 IonicContact OE2-NZ 2.96Å; E33-K198 PolarHBondContact OE2-NZ 2.97Å
34V93.5Very high89.7Confident0 Ų050.1 Ų50.10%026%0.262CS..EExtended strand (participates in β ladder)trans-120.4114.9178.2177.50000109.2L36 L195 H196 F197 K198 T220 I344V34-L36 HydrophobicContact CG1-CD2 3.91Å; V34-L36 HydrophobicContact CG1-CG 4.09Å; V34-L195 HydrophobicContact CG2-CB 4.34Å; V34-L195 HydrophobicContact CG2-CD1 4.01Å; V34-L195 HydrophobicContact CG2-CD2 4.37Å; V34-L195 HydrophobicContact CG2-CG 4.49Å; V34-H196 PolarHBondContact N-O 2.75Å; V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.86Å; V34-F197 HydrophobicContact CB-CG 4.4Å; V34-F197 HydrophobicContact CB-CZ 4.49Å; V34-F197 HydrophobicContact CG1-CD1 3.71Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG2-CE1 4.37Å; V34-F197 CarbonylContact O-C 3.55Å; V34-F197 WeakPolarHBondContact O-CA 3.19Å; V34-K198 PolarHBondContact O-N 3.09Å; V34-T220 HydrophobicContact CG1-CG2 4.01Å; V34-I344 HydrophobicContact CG1-CG2 3.99Å; V34-I344 HydrophobicContact CG2-CG2 4.27Å
35K94.8Very high90.3Very high36 Ų3642.9 Ų42.916%0.15724%0.238CC..EExtended strand (participates in β ladder)trans-90.5110.6173.7179.4166.9177.8-176.70110.2K198 F200 C215 E217 G218 V219 T220 A221K35-K198 WeakPolarHBondContact CA-O 3.32Å; K35-F200 HydrophobicContact CD-CD2 4.28Å; K35-F200 HydrophobicContact CD-CE2 3.83Å; K35-F200 HydrophobicContact CG-CD2 3.88Å; K35-F200 HydrophobicContact CG-CE2 3.69Å; K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.4Å; K35-C215 PolarHBondContact NZ-O 3.42Å; K35-E217 PolarHBondContact NZ-O 2.96Å; K35-G218 WeakPolarHBondContact CB-O 3.27Å; K35-G218 WeakPolarHBondContact CD-O 3.37Å; K35-V219 HydrophobicContact CD-CG2 4.41Å; K35-T220 PolarHBondContact N-OG1 3.17Å; K35-T220 WeakPolarHBondContact O-CB 3Å; K35-T220 PolarHBondContact O-N 3.27Å; K35-A221 PolarHBondContact O-N 3.03Å
36L96.5Very high91Very high0 Ų040 Ų400%023%0.225CC..EExtended strand (participates in β ladder)trans-99.7127.9174.5-65.5-176.7000110.7V34 F197 K198 M199 F200 A221 I223 F337 I344V34-L36 HydrophobicContact CG1-CD2 3.91Å; V34-L36 HydrophobicContact CG1-CG 4.09Å; L36-F197 HydrophobicContact CD1-CD1 3.48Å; L36-F197 VanDerWaalsContact CD1-CD1 3.48Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 3.84Å; L36-F197 HydrophobicContact CG-CE1 4.27Å; L36-K198 PolarHBondContact N-O 3.39Å; L36-M199 HydrophobicContact CB-CB 4.46Å; L36-M199 HydrophobicContact CB-CE 4.5Å; L36-M199 HydrophobicContact CB-CG 4.44Å; L36-M199 HydrophobicContact CD1-CE 3.67Å; L36-M199 CarbonylContact O-C 3.6Å; L36-M199 WeakPolarHBondContact O-CA 3.42Å; L36-F200 PolarHBondContact O-N 3.16Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.83Å; L36-I223 HydrophobicContact CD1-CD1 4.23Å; L36-F337 HydrophobicContact CD1-CE2 3.75Å; L36-F337 HydrophobicContact CD1-CZ 3.73Å; L36-I344 HydrophobicContact CD2-CD1 3.74Å
37L97.6Very high91.7Very high0 Ų037.2 Ų37.20%021%0.212CC..EExtended strand (participates in β ladder)trans-110.4117.3174.9-176.759.3000110.3L39 F200 V202 C215 F216 V219 A221 I222 I223 F260L37-L39 HydrophobicContact CD1-CD2 4.18Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L37-F200 HydrophobicContact CD1-CB 3.81Å; L37-V202 HydrophobicContact CD1-CG1 4.41Å; L37-C215 HydrophobicContact CD1-CB 3.61Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; L37-F216 HydrophobicContact CD2-CD1 3.81Å; L37-F216 HydrophobicContact CD2-CE1 3.95Å; L37-V219 HydrophobicContact CB-CG1 3.82Å; L37-V219 HydrophobicContact CB-CG2 4.18Å; L37-V219 HydrophobicContact CD2-CG2 4Å; L37-A221 PolarHBondContact N-O 2.73Å; L37-I222 HydrophobicContact CB-CG1 4.44Å; L37-I222 WeakPolarHBondContact O-CA 3.3Å; L37-I223 PolarHBondContact O-N 2.75Å; L37-F260 HydrophobicContact CD2-CE1 4.47Å; L37-F260 HydrophobicContact CD2-CZ 4.08Å
38L98Very high92.5Very high0 Ų036.5 Ų36.50%020%0.2CC..EExtended strand (participates in β ladder)trans-88.3115.3176.2-68.4169.6000110.2K46 I49 V50 M199 F200 D201 V202 I223L38-K46 HydrophobicContact CB-CB 4.21Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.24Å; L38-K46 HydrophobicContact CD1-CB 4.48Å; L38-K46 WeakPolarHBondContact O-CD 3.4Å; L38-I49 HydrophobicContact CD2-CG2 4.31Å; L38-V50 HydrophobicContact CD1-CG2 3.39Å; L38-M199 HydrophobicContact CD1-CG 3.72Å; L38-M199 HydrophobicContact CD1-SD 3.6Å; L38-M199 VanDerWaalsContact CD1-SD 3.6Å; L38-M199 HydrophobicContact CG-CG 4.09Å; L38-M199 HydrophobicContact CG-SD 4.27Å; L38-F200 PolarHBondContact N-O 3.28Å; L38-D201 HydrophobicContact CD1-CB 4.2Å; L38-V202 WeakPolarHBondContact O-CG2 3.45Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.63Å; L38-I223 HydrophobicContact CD2-CD1 4.2Å; L38-I223 HydrophobicContact CD2-CG1 4.5Å; L38-I223 HydrophobicContact CD2-CG2 3.66Å
39L98.1Very high93.4Very high0 Ų031.5 Ų31.50%018%0.176CC..EExtended strand (participates in β ladder)trans-121.9161.9179.6-61.5-178.8000111.7L37 V202 W212 F216 I222 I223 F224 C225 I254 F260L37-L39 HydrophobicContact CD1-CD2 4.18Å; L37-L39 HydrophobicContact CD2-CD1 4Å; L37-L39 HydrophobicContact CD2-CD2 4.09Å; L37-L39 HydrophobicContact CD2-CG 4.14Å; L37-L39 HydrophobicContact CG-CD1 4.28Å; L37-L39 HydrophobicContact CG-CD2 3.88Å; L37-L39 HydrophobicContact CG-CG 3.89Å; L39-V202 HydrophobicContact CD2-CG2 3.68Å; L39-W212 HydrophobicContact CB-CH2 4.4Å; L39-W212 HydrophobicContact CB-CZ3 4.27Å; L39-W212 HydrophobicContact CD1-CE3 4.49Å; L39-W212 HydrophobicContact CD1-CZ3 4.49Å; L39-W212 HydrophobicContact CD2-CD2 3.82Å; L39-W212 HydrophobicContact CD2-CE3 3.7Å; L39-W212 HydrophobicContact CD2-CG 4.3Å; L39-W212 HydrophobicContact CD2-CH2 4.31Å; L39-W212 HydrophobicContact CD2-CZ2 4.45Å; L39-W212 HydrophobicContact CD2-CZ3 3.93Å; L39-W212 HydrophobicContact CG-CZ3 4.46Å; L39-F216 HydrophobicContact CD1-CE1 4.5Å; L39-I222 HydrophobicContact CB-CG2 4.33Å; L39-I222 HydrophobicContact CD1-CD1 4.37Å; L39-I222 HydrophobicContact CD1-CG2 3.97Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; L39-I223 PolarHBondContact N-O 3.19Å; L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.29Å; L39-F224 CarbonylContact O-C 3.59Å; L39-F224 WeakPolarHBondContact O-CA 3.17Å; L39-C225 PolarHBondContact O-N 3.27Å; L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.06Å; L39-I254 HydrophobicContact CD1-CG2 3.81Å; L39-F260 HydrophobicContact CD1-CE2 4.38Å
40G97.8Very high94.2Very high0 Ų026.2 Ų26.20%016%0.155CC..  trans136.9166.4179.800000112.5K46 G204G40-K46 PolarHBondContact O-NZ 3.32Å; G40-G204 WeakPolarHBondContact O-CA 3.29Å
41A96.7Very high95.2Very high10 Ų1024.2 Ų24.28%0.08313%0.134CC..SBendtrans-59.1165.9-178.300000112.8S44 K46 L250A41-S44 PolarHBondContact O-N 3.48Å; A41-S44 PolarHBondContact O-OG 3Å; A41-S44 VanDerWaalsContact O-OG 3.08Å; A41-K46 PolarHBondContact O-NZ 3.43Å; A41-L250 HydrophobicContact CB-CD1 4.36Å
42G94.6Very high96Very high21 Ų2121.1 Ų21.122%0.21611%0.108CC..THydrogen-bonded Turntrans-51.9143.5168.700000110.4S44 G204G42-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact O-N 3.1Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.97Å
43E95.1Very high96.4Very high47 Ų4714.6 Ų14.622%0.228%0.084CC..THydrogen-bonded Turntrans64.411176.8-68.7154-152.400115.9G45 R179 R243 K271E43-G45 PolarHBondContact O-N 3.48Å; E43-R179 VanDerWaalsContact CG-NE 3.3Å; E43-R179 IonicContact OE1-CZ 2.68Å; E43-R179 IonicContact OE1-NE 3.72Å; E43-R179 PolarHBondContact OE1-NE 3.42Å; E43-R179 IonicContact OE1-NH2 3.55Å; E43-R179 PolarHBondContact OE1-NH2 2.87Å; E43-R243 IonicContact OE2-CZ 2.61Å; E43-R243 IonicContact OE2-NH1 2.87Å; E43-R243 PolarHBondContact OE2-NH1 3.39Å; E43-R243 IonicContact OE2-NH2 3.06Å; E43-R243 PolarHBondContact OE2-NH2 3.12Å; E43-K271 WeakPolarHBondContact O-CE 3.42Å; E43-K271 PolarHBondContact O-NZ 3.21Å
44S97.5Very high96.6Very high2 Ų212.8 Ų12.81%0.0148%0.075CC..SBendtrans-70.4-12.6176650000115.1A41 G42 C225 N270A41-S44 PolarHBondContact O-N 3.48Å; A41-S44 PolarHBondContact O-OG 3Å; A41-S44 VanDerWaalsContact O-OG 3.08Å; G42-S44 PolarHBondContact O-N 3.09Å; G42-S44 VanDerWaalsContact O-N 3.1Å; S44-C225 WeakPolarHBondContact CB-O 3.45Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 3.39Å; S44-C225 VanDerWaalsContact OG-O 3.09Å; S44-N270 PolarHBondContact O-ND2 2.85Å
45G96.9Very high96.7Very high10 Ų1014.1 Ų14.110%0.1038%0.081CC..SBendtrans105.59.217700000115.9E43 S47 T48 I49E43-G45 PolarHBondContact O-N 3.48Å; G45-S47 PolarHBondContact O-N 3.43Å; G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.29Å; G45-T48 PolarHBondContact O-N 3.3Å; G45-T48 VanDerWaalsContact O-N 3.08Å; G45-I49 PolarHBondContact O-N 3.44Å
46K97.5Very high96.7Very high8 Ų813.9 Ų13.94%0.0358%0.081CC..Hα-helixtrans-51.2-56.1178.4-61.4-176.9-62.7-67.60113.7L38 G40 A41 T48 I49 V50 D201 V202 C225L38-K46 HydrophobicContact CB-CB 4.21Å; L38-K46 HydrophobicContact CB-CD 4.14Å; L38-K46 HydrophobicContact CB-CG 4.24Å; L38-K46 HydrophobicContact CD1-CB 4.48Å; L38-K46 WeakPolarHBondContact O-CD 3.4Å; G40-K46 PolarHBondContact O-NZ 3.32Å; A41-K46 PolarHBondContact O-NZ 3.43Å; K46-T48 PolarHBondContact O-N 3.04Å; K46-I49 WeakPolarHBondContact O-CA 3.38Å; K46-I49 WeakPolarHBondContact O-CB 3.37Å; K46-I49 PolarHBondContact O-N 2.93Å; K46-V50 PolarHBondContact O-N 3.19Å; K46-V50 VanDerWaalsContact O-N 3.07Å; K46-D201 VanDerWaalsContact CB-OD1 3.23Å; K46-D201 WeakPolarHBondContact CB-OD1 3.49Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; K46-C225 HydrophobicContact CG-CB 3.96Å
47S97.4Very high96.6Very high31 Ų3116 Ų1622%0.2179%0.091CC..Hα-helixtrans-63.5-26.3179.9-450000112.5G45 V50 K51 T182 D201G45-S47 PolarHBondContact O-N 3.43Å; S47-V50 PolarHBondContact O-N 2.71Å; S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.44Å; S47-K51 PolarHBondContact O-N 3.24Å; S47-T182 PolarHBondContact OG-OG1 3.03Å; S47-D201 WeakPolarHBondContact CA-OD2 3.34Å; S47-D201 VanDerWaalsContact CB-OD2 3.29Å; S47-D201 WeakPolarHBondContact CB-OD2 3.43Å; S47-D201 PolarHBondContact OG-OD2 3.17Å
48T97.7Very high96.3Very high24 Ų2420 Ų2015%0.14711%0.11CC..Hα-helixtrans-69.5-38.9172.4-50.50000111G45 K46 K51 Q52 L176 A327 T328G45-T48 WeakPolarHBondContact O-CA 3.29Å; G45-T48 WeakPolarHBondContact O-CB 3.29Å; G45-T48 PolarHBondContact O-N 3.3Å; G45-T48 VanDerWaalsContact O-N 3.08Å; K46-T48 PolarHBondContact O-N 3.04Å; T48-K51 PolarHBondContact O-N 3.18Å; T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.06Å; T48-L176 HydrophobicContact CG2-CB 4.49Å; T48-L176 HydrophobicContact CG2-CD2 3.96Å; T48-A327 HydrophobicContact CG2-CB 3.67Å; T48-A327 WeakPolarHBondContact CG2-O 3.22Å; T48-T328 HydrophobicContact CG2-CG2 4.06Å
49I97.5Very high96Very high0 Ų028 Ų280%015%0.153CC..Hα-helixtrans-61.3-43.3172.1-61.5-61.1000111L38 G45 K46 K51 Q52 M53 F268 A327 V333L38-I49 HydrophobicContact CD2-CG2 4.31Å; G45-I49 PolarHBondContact O-N 3.44Å; K46-I49 WeakPolarHBondContact O-CA 3.38Å; K46-I49 WeakPolarHBondContact O-CB 3.37Å; K46-I49 PolarHBondContact O-N 2.93Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.18Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.04Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.85Å; I49-F268 HydrophobicContact CD1-CD2 4.2Å; I49-F268 HydrophobicContact CD1-CE2 4.14Å; I49-F268 HydrophobicContact CG1-CD2 4.31Å; I49-F268 HydrophobicContact CG1-CE2 4.41Å; I49-F268 HydrophobicContact CG2-CE2 4.48Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.26Å; I49-V333 HydrophobicContact CD1-CG1 4.25Å; I49-V333 HydrophobicContact CD1-CG2 4.04Å
50V96.8Very high95.8Very high16 Ų1628.2 Ų28.210%0.09716%0.155CC..Hα-helixtrans-58.3-47.9174179.80000111.2L38 K46 S47 Q52 M53 K54 T188 M199 D201L38-V50 HydrophobicContact CD1-CG2 3.39Å; K46-V50 PolarHBondContact O-N 3.19Å; K46-V50 VanDerWaalsContact O-N 3.07Å; S47-V50 PolarHBondContact O-N 2.71Å; V50-Q52 PolarHBondContact O-N 3.38Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.17Å; V50-K54 PolarHBondContact O-N 3.07Å; V50-T188 HydrophobicContact CG1-CG2 4.04Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.13Å; V50-M199 HydrophobicContact CG2-CG 4.38Å; V50-M199 HydrophobicContact CG2-SD 3.91Å; V50-D201 HydrophobicContact CG2-CB 3.63Å
51K96.8Very high95.7Very high22 Ų2229.3 Ų29.310%0.09616%0.159CC..Hα-helixtrans-58.9-35.8177.8-69.9171178.2178.80111.8S47 T48 I49 K54 I55 Y61 V175 L176 T178S47-K51 VanDerWaalsContact O-CG 3.25Å; S47-K51 WeakPolarHBondContact O-CG 3.44Å; S47-K51 PolarHBondContact O-N 3.24Å; T48-K51 PolarHBondContact O-N 3.18Å; I49-K51 VanDerWaalsContact C-N 3.35Å; I49-K51 PolarHBondContact O-N 3.18Å; K51-K54 PolarHBondContact O-N 2.85Å; K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 3Å; K51-Y61 VanDerWaalsContact CA-OH 3.25Å; K51-Y61 WeakPolarHBondContact CA-OH 3.24Å; K51-Y61 HydrophobicContact CB-CE2 4.44Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.01Å; K51-Y61 VanDerWaalsContact CG-OH 3.27Å; K51-Y61 WeakPolarHBondContact CG-OH 3.31Å; K51-V175 HydrophobicContact CD-CG1 4.47Å; K51-V175 PolarHBondContact NZ-O 3.17Å; K51-L176 HydrophobicContact CB-CD2 3.82Å; K51-T178 PolarHBondContact NZ-O 3.47Å; K51-T178 VanDerWaalsContact NZ-O 3.12Å; K51-T178 PolarHBondContact NZ-OG1 2.99Å
52Q97.4Very high95.7Very high0 Ų031.6 Ų31.60%018%0.175CC..Hα-helixtrans-68.2-34.2175.5-71.3-76.320.900112.7T48 I49 V50 K54 I55 I56 L176 A327 T330 V333T48-Q52 WeakPolarHBondContact O-CG 3.48Å; T48-Q52 PolarHBondContact O-N 3.06Å; I49-Q52 WeakPolarHBondContact O-CB 3.49Å; I49-Q52 PolarHBondContact O-N 3.04Å; I49-Q52 VanDerWaalsContact O-N 3.13Å; V50-Q52 PolarHBondContact O-N 3.38Å; Q52-K54 PolarHBondContact O-N 3.18Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I55 VanDerWaalsContact O-N 3.08Å; Q52-I56 HydrophobicContact CB-CD1 4.14Å; Q52-I56 WeakPolarHBondContact O-CB 3.35Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 2.8Å; Q52-L176 HydrophobicContact CG-CD2 3.74Å; Q52-A327 VanDerWaalsContact CG-O 3.22Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 2.77Å; Q52-T330 PolarHBondContact NE2-OG1 3.12Å; Q52-T330 PolarHBondContact OE1-OG1 3.21Å; Q52-V333 HydrophobicContact CB-CB 4.37Å; Q52-V333 HydrophobicContact CB-CG1 3.75Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.16Å; Q52-V333 HydrophobicContact CG-CG2 4.12Å
53M96Very high95.9Very high0 Ų036.1 Ų36.10%019%0.19CC..Hα-helixtrans-60.2-39.6175.4-62.1-58.691.400111.2I49 V50 I56 H57 F190 M199 V333 F337I49-M53 WeakPolarHBondContact O-CG 3.45Å; I49-M53 PolarHBondContact O-N 2.85Å; V50-M53 WeakPolarHBondContact O-CB 3.44Å; V50-M53 PolarHBondContact O-N 3.17Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 2.86Å; M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.46Å; M53-H57 PolarHBondContact O-N 3.27Å; M53-F190 HydrophobicContact CB-CD1 3.87Å; M53-F190 HydrophobicContact CB-CE1 3.77Å; M53-F190 HydrophobicContact CB-CG 4.36Å; M53-F190 HydrophobicContact CB-CZ 4.17Å; M53-F190 HydrophobicContact CG-CD1 4.25Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.47Å; M53-F190 HydrophobicContact CG-CZ 3.75Å; M53-F190 HydrophobicContact SD-CE1 4.09Å; M53-F190 HydrophobicContact SD-CE2 3.94Å; M53-F190 HydrophobicContact SD-CZ 3.55Å; M53-F190 VanDerWaalsContact SD-CZ 3.55Å; M53-M199 HydrophobicContact CG-CE 3.61Å; M53-M199 HydrophobicContact CG-SD 3.76Å; M53-M199 HydrophobicContact SD-CE 3.98Å; M53-V333 HydrophobicContact CE-CG1 3.8Å; M53-F337 HydrophobicContact CE-CB 4.32Å; M53-F337 HydrophobicContact CE-CD1 4.45Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CE2 4.48Å; M53-F337 HydrophobicContact CE-CG 3.98Å; M53-F337 HydrophobicContact SD-CD1 4.02Å; M53-F337 HydrophobicContact SD-CD2 3.74Å; M53-F337 HydrophobicContact SD-CE1 3.95Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 3.94Å; M53-F337 HydrophobicContact SD-CZ 3.77Å
54K95Very high95.9Very high42 Ų4238.9 Ų38.918%0.18320%0.203CC..Hα-helixtrans-61.9-43.6172-178.3165.6-179.8169.40112.6V50 K51 Q52 E58 G60 Y61 E65V50-K54 PolarHBondContact O-N 3.07Å; K51-K54 PolarHBondContact O-N 2.85Å; Q52-K54 PolarHBondContact O-N 3.18Å; K54-E58 HydrophobicContact CG-CB 4.18Å; K54-E58 CarbonylContact O-C 3.59Å; K54-E58 VanDerWaalsContact O-C 3.27Å; K54-E58 WeakPolarHBondContact O-CA 3.46Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.83Å; K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.3Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 2.94Å; K54-Y61 HydrophobicContact CB-CE2 4.48Å; K54-Y61 HydrophobicContact CD-CD1 4.21Å; K54-Y61 HydrophobicContact CD-CE1 3.75Å; K54-Y61 HydrophobicContact CD-CE2 4.3Å; K54-Y61 HydrophobicContact CG-CE2 4.4Å; K54-E65 IonicContact NZ-OE1 2.59Å; K54-E65 PolarHBondContact NZ-OE1 2.83Å; K54-E65 IonicContact NZ-OE2 3.24Å
55I95.6Very high95.9Very high28 Ų2841.5 Ų41.514%0.14422%0.215CC..Hα-helixtrans-64.3-42.1177.8-63.6175.2000112.5K51 Q52 Y61 Q172 L176 T330K51-I55 WeakPolarHBondContact O-CG1 3.5Å; K51-I55 PolarHBondContact O-N 3Å; Q52-I55 PolarHBondContact O-N 2.95Å; Q52-I55 VanDerWaalsContact O-N 3.08Å; I55-Y61 HydrophobicContact CD1-CD2 4.2Å; I55-Y61 HydrophobicContact CD1-CE2 3.99Å; I55-Y61 HydrophobicContact CG1-CD2 3.85Å; I55-Y61 HydrophobicContact CG1-CE2 3.7Å; I55-Q172 HydrophobicContact CD1-CB 4.19Å; I55-L176 HydrophobicContact CD1-CD1 3.78Å; I55-L176 HydrophobicContact CD1-CD2 3.83Å; I55-L176 HydrophobicContact CD1-CG 3.78Å; I55-T330 HydrophobicContact CG2-CG2 3.97Å
56I95.1Very high96Very high30 Ų3041.3 Ų41.315%0.15421%0.212CC..Hα-helixtrans-84.7-31.9-171.9-62.3164.7000111.2Q52 M53 T330 V333 Q334Q52-I56 HydrophobicContact CB-CD1 4.14Å; Q52-I56 WeakPolarHBondContact O-CB 3.35Å; Q52-I56 VanDerWaalsContact O-CG1 3.23Å; Q52-I56 WeakPolarHBondContact O-CG1 3.45Å; Q52-I56 PolarHBondContact O-N 2.8Å; M53-I56 HydrophobicContact CE-CD1 4.12Å; M53-I56 PolarHBondContact O-N 2.86Å; I56-T330 HydrophobicContact CD1-CG2 4.25Å; I56-T330 HydrophobicContact CG1-CG2 3.76Å; I56-V333 HydrophobicContact CD1-CB 4.18Å; I56-V333 HydrophobicContact CD1-CG1 3.87Å; I56-Q334 HydrophobicContact CD1-CB 3.96Å; I56-Q334 HydrophobicContact CG1-CB 4.43Å; I56-Q334 HydrophobicContact CG2-CB 4.25Å; I56-Q334 HydrophobicContact CG2-CG 3.88Å
57H93.2Very high96Very high45 Ų4545.3 Ų45.321%0.20823%0.227CC..Hα-helixtrans-123.7-7.6-169-56.2-59000115.4M53 F190 F192 F337M53-H57 WeakPolarHBondContact O-CA 3.42Å; M53-H57 WeakPolarHBondContact O-CB 3.46Å; M53-H57 PolarHBondContact O-N 3.27Å; H57-F190 HydrophobicContact CB-CB 4.19Å; H57-F190 HydrophobicContact CB-CD2 4.17Å; H57-F190 HydrophobicContact CB-CG 4.49Å; H57-F190 AromaticContact CD2-CD2 3.7Å; H57-F190 AromaticContact CD2-CE2 3.86Å; H57-F192 AromaticContact CE1-CD2 3.26Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.41Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.55Å; H57-F192 AromaticContact ND1-CD2 3.64Å; H57-F337 AromaticContact NE2-CD1 3.87Å
58E91.3Very high95.9Very high83 Ų8350.2 Ų50.239%0.38825%0.246SC..SBendtrans-134.239.9-177.9-54.8-168.4135.600113K54 G60 F190K54-E58 HydrophobicContact CG-CB 4.18Å; K54-E58 CarbonylContact O-C 3.59Å; K54-E58 VanDerWaalsContact O-C 3.27Å; K54-E58 WeakPolarHBondContact O-CA 3.46Å; K54-E58 WeakPolarHBondContact O-CB 3.46Å; K54-E58 PolarHBondContact O-N 2.83Å; E58-G60 PolarHBondContact O-N 2.85Å; E58-F190 HydrophobicContact CG-CB 4.28Å
59D92.1Very high96Very high169 Ų16951.8 Ų51.890%0.90425%0.25SS*.  trans60.45.2178.5-56.9-47.3000115.8
60G94.4Very high96Very high5 Ų554.9 Ų54.95%0.05226%0.262CS..  trans74.2-151.8-179.800000114.9K54 E58K54-G60 VanDerWaalsContact CE-O 3.24Å; K54-G60 WeakPolarHBondContact CE-O 3.3Å; K54-G60 WeakPolarHBondContact O-CA 3.49Å; K54-G60 PolarHBondContact O-N 2.94Å; E58-G60 PolarHBondContact O-N 2.85Å
61Y96.2Very high96Very high22 Ų2256.1 Ų56.19%0.08627%0.274CS..  trans-98.8125.3-177.7-63.3-94000109.1K51 K54 I55 E65 C66 Y69 Q172 V175K51-Y61 VanDerWaalsContact CA-OH 3.25Å; K51-Y61 WeakPolarHBondContact CA-OH 3.24Å; K51-Y61 HydrophobicContact CB-CE2 4.44Å; K51-Y61 VanDerWaalsContact CB-OH 3.26Å; K51-Y61 WeakPolarHBondContact CB-OH 3.01Å; K51-Y61 VanDerWaalsContact CG-OH 3.27Å; K51-Y61 WeakPolarHBondContact CG-OH 3.31Å; K54-Y61 HydrophobicContact CB-CE2 4.48Å; K54-Y61 HydrophobicContact CD-CD1 4.21Å; K54-Y61 HydrophobicContact CD-CE1 3.75Å; K54-Y61 HydrophobicContact CD-CE2 4.3Å; K54-Y61 HydrophobicContact CG-CE2 4.4Å; I55-Y61 HydrophobicContact CD1-CD2 4.2Å; I55-Y61 HydrophobicContact CD1-CE2 3.99Å; I55-Y61 HydrophobicContact CG1-CD2 3.85Å; I55-Y61 HydrophobicContact CG1-CE2 3.7Å; Y61-E65 HydrophobicContact CD1-CB 4.22Å; Y61-C66 VanDerWaalsContact CB-SG 3.59Å; Y61-Y69 HydrophobicContact CD1-CE2 4.13Å; Y61-Y69 AromaticContact CE1-CE2 3.98Å; Y61-Y69 HydrophobicContact CE1-CE2 3.98Å; Y61-Q172 HydrophobicContact CD2-CG 4.43Å; Y61-V175 HydrophobicContact CD1-CG1 4.22Å; Y61-V175 HydrophobicContact CD2-CG1 4.18Å; Y61-V175 HydrophobicContact CE1-CG1 4.01Å; Y61-V175 HydrophobicContact CE2-CG1 3.99Å; Y61-V175 HydrophobicContact CG-CG1 4.32Å
62S96.7Very high96Very high58 Ų5856.8 Ų56.841%0.40628%0.28SS..  trans-63.4161.3168.363.60000110.9E64 E65 C66S62-E64 PolarHBondContact O-N 3.16Å; S62-E65 WeakPolarHBondContact CB-OE2 3.39Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.35Å; S62-E65 PolarHBondContact OG-OE2 3.25Å; S62-C66 WeakPolarHBondContact O-CB 3.32Å; S62-C66 PolarHBondContact O-N 2.91Å
63E96.8Very high96.1Very high117 Ų11756.8 Ų56.855%0.54728%0.28SS..Hα-helixtrans-56.4-38.1177.2-168.5-169.6122.800112.1C66 R67 I169E63-C66 WeakPolarHBondContact O-CB 3.33Å; E63-C66 PolarHBondContact O-N 3.44Å; E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE1-CZ 3.2Å; E63-R67 IonicContact OE1-NH1 3.72Å; E63-R67 PolarHBondContact OE1-NH1 2.97Å; E63-R67 IonicContact OE1-NH2 2.8Å; E63-R67 PolarHBondContact OE1-NH2 2.8Å; E63-I169 HydrophobicContact CG-CD1 3.9Å; E63-I169 HydrophobicContact CG-CG2 3.94Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å
64E96.9Very high96.2Very high104 Ų10456.9 Ų56.949%0.48628%0.28SS..Hα-helixtrans-69.4-39.3179.9-173.455.4-157.400112.2S62 R67 Q68S62-E64 PolarHBondContact O-N 3.16Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NH1 2.59Å; E64-R67 PolarHBondContact OE2-NH1 3.18Å; E64-Q68 WeakPolarHBondContact O-CG 3.47Å; E64-Q68 PolarHBondContact O-N 3.49Å
65E97.1Very high96.3Very high57 Ų5756.2 Ų56.227%0.26628%0.281SS..Hα-helixtrans-67.2-41.9173.5-68.3168.612200111.3K54 Y61 S62 R67 Q68 Y69K54-E65 IonicContact NZ-OE1 2.59Å; K54-E65 PolarHBondContact NZ-OE1 2.83Å; K54-E65 IonicContact NZ-OE2 3.24Å; Y61-E65 HydrophobicContact CD1-CB 4.22Å; S62-E65 WeakPolarHBondContact CB-OE2 3.39Å; S62-E65 PolarHBondContact N-OE2 3.33Å; S62-E65 PolarHBondContact O-N 3.36Å; S62-E65 VanDerWaalsContact OG-CG 3.25Å; S62-E65 WeakPolarHBondContact OG-CG 3.45Å; S62-E65 PolarHBondContact OG-N 3.35Å; S62-E65 PolarHBondContact OG-OE2 3.25Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 2.86Å; E65-Q68 WeakPolarHBondContact O-CB 3.31Å; E65-Q68 PolarHBondContact O-N 2.72Å; E65-Q68 VanDerWaalsContact O-N 3.11Å; E65-Y69 VanDerWaalsContact O-CD2 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.5Å
66C98.1Very high96.4Very high6 Ų655.2 Ų55.24%0.04128%0.276CS..Hα-helixtrans-56.7-42.5172.1-80.20000111.7Y61 S62 E63 Q68 Y69 I169 P170Y61-C66 VanDerWaalsContact CB-SG 3.59Å; S62-C66 WeakPolarHBondContact O-CB 3.32Å; S62-C66 PolarHBondContact O-N 2.91Å; E63-C66 WeakPolarHBondContact O-CB 3.33Å; E63-C66 PolarHBondContact O-N 3.44Å; C66-Q68 PolarHBondContact O-N 3.24Å; C66-Y69 WeakPolarHBondContact O-CB 3.38Å; C66-Y69 PolarHBondContact O-N 2.84Å; C66-I169 HydrophobicContact CB-CG2 4.15Å; C66-P170 WeakPolarHBondContact CB-O 3.4Å; C66-P170 WeakPolarHBondContact O-CD 3.05Å; C66-P170 WeakPolarHBondContact O-CG 3.06Å; C66-P170 PolarHBondContact SG-O 3.09Å
67R97.3Very high96.6Very high93 Ų9353.8 Ų53.835%0.35127%0.268SS..Hα-helixtrans-58.6-34.7176.6-174.9176.1-78.4110.24.5112.1E63 E64 E65 Y69 R70E63-R67 WeakPolarHBondContact O-CB 3.26Å; E63-R67 PolarHBondContact O-N 3.26Å; E63-R67 IonicContact OE1-CZ 3.2Å; E63-R67 IonicContact OE1-NH1 3.72Å; E63-R67 PolarHBondContact OE1-NH1 2.97Å; E63-R67 IonicContact OE1-NH2 2.8Å; E63-R67 PolarHBondContact OE1-NH2 2.8Å; E64-R67 WeakPolarHBondContact O-CB 3.5Å; E64-R67 PolarHBondContact O-N 2.82Å; E64-R67 IonicContact OE2-CZ 2.71Å; E64-R67 IonicContact OE2-NH1 2.59Å; E64-R67 PolarHBondContact OE2-NH1 3.18Å; E65-R67 VanDerWaalsContact C-N 3.28Å; E65-R67 PolarHBondContact O-N 2.86Å; R67-Y69 VanDerWaalsContact C-N 3.26Å; R67-Y69 PolarHBondContact O-N 3.29Å; R67-R70 WeakPolarHBondContact O-CB 3.33Å; R67-R70 PolarHBondContact O-N 3Å; R67-R70 VanDerWaalsContact O-N 3.14Å
68Q96.8Very high96.8Very high133 Ų13351.7 Ų51.762%0.62126%0.259SS*.Hα-helixtrans-65.7-26.2176-64169.95.400113.2E64 E65 C66 R70E64-Q68 WeakPolarHBondContact O-CG 3.47Å; E64-Q68 PolarHBondContact O-N 3.49Å; E65-Q68 WeakPolarHBondContact O-CB 3.31Å; E65-Q68 PolarHBondContact O-N 2.72Å; E65-Q68 VanDerWaalsContact O-N 3.11Å; C66-Q68 PolarHBondContact O-N 3.24Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.15Å
69Y97.8Very high97.1Very high57 Ų5751.8 Ų51.822%0.22426%0.259CS..THydrogen-bonded Turntrans-78.6-7.6175.7-77.1-84.8000113.8Y61 E65 C66 R67 A71 V72 V73 V175 T178Y61-Y69 HydrophobicContact CD1-CE2 4.13Å; Y61-Y69 AromaticContact CE1-CE2 3.98Å; Y61-Y69 HydrophobicContact CE1-CE2 3.98Å; E65-Y69 VanDerWaalsContact O-CD2 3.3Å; E65-Y69 WeakPolarHBondContact O-CD2 3.5Å; C66-Y69 WeakPolarHBondContact O-CB 3.38Å; C66-Y69 PolarHBondContact O-N 2.84Å; R67-Y69 VanDerWaalsContact C-N 3.26Å; R67-Y69 PolarHBondContact O-N 3.29Å; Y69-A71 PolarHBondContact O-N 2.94Å; Y69-V72 WeakPolarHBondContact O-CA 3.33Å; Y69-V72 WeakPolarHBondContact O-CB 3.29Å; Y69-V72 PolarHBondContact O-N 3.26Å; Y69-V73 PolarHBondContact O-N 2.95Å; Y69-V175 HydrophobicContact CD1-CG1 4.18Å; Y69-V175 HydrophobicContact CD2-CB 4.35Å; Y69-V175 HydrophobicContact CD2-CG1 3.79Å; Y69-V175 HydrophobicContact CD2-CG2 3.69Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.65Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.4Å; Y69-V175 HydrophobicContact CG-CG1 4.06Å; Y69-V175 HydrophobicContact CG-CG2 3.84Å; Y69-T178 HydrophobicContact CD1-CG2 4.09Å
70R97.7Very high97.4Very high65 Ų6543.8 Ų43.825%0.24522%0.216CC..Hα-helixtrans-57.2-49.2-175-176176.9178175.2-1.2112.4R67 Q68 V72 V73 Y74 Q165 S166 Y168 P170R67-R70 WeakPolarHBondContact O-CB 3.33Å; R67-R70 PolarHBondContact O-N 3Å; R67-R70 VanDerWaalsContact O-N 3.14Å; Q68-R70 VanDerWaalsContact C-N 3.27Å; Q68-R70 PolarHBondContact O-N 3.15Å; R70-V72 PolarHBondContact O-N 3.22Å; R70-V73 PolarHBondContact O-N 3.14Å; R70-Y74 HydrophobicContact CG-CD2 4.11Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.56Å; R70-Y74 VanDerWaalsContact CZ-OH 3.27Å; R70-Y74 VanDerWaalsContact NE-CE2 3.32Å; R70-Y74 VanDerWaalsContact NE-CZ 3.31Å; R70-Y74 PolarHBondContact NE-OH 3.29Å; R70-Y74 PolarHBondContact NH2-OH 2.89Å; R70-Y74 PolarHBondContact O-N 2.61Å; R70-Q165 PolarHBondContact NH2-O 3.48Å; R70-S166 PolarHBondContact NH1-O 3.37Å; R70-S166 PolarHBondContact NH2-O 2.76Å; R70-Y168 WeakPolarHBondContact CD-O 3.37Å; R70-Y168 HydrophobicContact CG-CD1 4.15Å; R70-Y168 HydrophobicContact CG-CE1 4.44Å; R70-Y168 PolarHBondContact NE-O 3.23Å; R70-Y168 PolarHBondContact NH1-O 3.02Å; R70-P170 HydrophobicContact CB-CG 3.98Å
71A97.1Very high97.6Very high42 Ų4243.5 Ų43.535%0.34721%0.214SC..Hα-helixtrans-60.7-34.6177.600000112.3Y69 Y74 S75Y69-A71 PolarHBondContact O-N 2.94Å; A71-Y74 PolarHBondContact O-N 2.59Å; A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.81Å
72V97.7Very high97.7Very high36 Ų3643.5 Ų43.522%0.21822%0.215CC..Hα-helixtrans-69.6-43.1177.7-173.40000111Y69 R70 Y74 S75 N76 T178 V180Y69-V72 WeakPolarHBondContact O-CA 3.33Å; Y69-V72 WeakPolarHBondContact O-CB 3.29Å; Y69-V72 PolarHBondContact O-N 3.26Å; R70-V72 PolarHBondContact O-N 3.22Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.22Å; V72-S75 PolarHBondContact O-N 3Å; V72-N76 WeakPolarHBondContact O-CB 3.29Å; V72-N76 PolarHBondContact O-N 3.41Å; V72-N76 PolarHBondContact O-ND2 2.88Å; V72-N76 PolarHBondContact O-OD1 3.02Å; V72-T178 HydrophobicContact CB-CG2 4.24Å; V72-T178 HydrophobicContact CG1-CG2 3.97Å; V72-V180 HydrophobicContact CG1-CG2 3.64Å; V72-V180 HydrophobicContact CG2-CG2 4.47Å
73V98.3Very high97.8Very high0 Ų042 Ų420%021%0.206CC..Hα-helixtrans-58.5-46.9174.4172.40000110.4Y69 R70 N76 T77 Y156 I163 Y168 P170 D174 T178Y69-V73 PolarHBondContact O-N 2.95Å; R70-V73 PolarHBondContact O-N 3.14Å; V73-N76 PolarHBondContact O-N 3Å; V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 2.87Å; V73-Y156 HydrophobicContact CB-CE1 4.44Å; V73-Y156 HydrophobicContact CG1-CD1 3.84Å; V73-Y156 HydrophobicContact CG1-CE1 3.66Å; V73-Y156 HydrophobicContact CG2-CE1 4.18Å; V73-I163 HydrophobicContact CG1-CD1 4.42Å; V73-I163 HydrophobicContact CG1-CG2 3.99Å; V73-Y168 HydrophobicContact CB-CE1 4.48Å; V73-Y168 HydrophobicContact CG1-CE1 4.1Å; V73-P170 HydrophobicContact CG2-CB 4.43Å; V73-P170 HydrophobicContact CG2-CG 4.25Å; V73-D174 HydrophobicContact CG2-CB 4.13Å; V73-T178 HydrophobicContact CG2-CG2 3.62Å
74Y98.1Very high97.9Very high2 Ų236.5 Ų36.51%0.00818%0.18CC..Hα-helixtrans-61.1-50.6177.7-65.8-18.4000112.3R70 A71 V72 N76 T77 I78 G118 V119 L120 I163 Y168R70-Y74 HydrophobicContact CG-CD2 4.11Å; R70-Y74 HydrophobicContact CG-CE1 4.34Å; R70-Y74 HydrophobicContact CG-CE2 3.56Å; R70-Y74 VanDerWaalsContact CZ-OH 3.27Å; R70-Y74 VanDerWaalsContact NE-CE2 3.32Å; R70-Y74 VanDerWaalsContact NE-CZ 3.31Å; R70-Y74 PolarHBondContact NE-OH 3.29Å; R70-Y74 PolarHBondContact NH2-OH 2.89Å; R70-Y74 PolarHBondContact O-N 2.61Å; A71-Y74 PolarHBondContact O-N 2.59Å; V72-Y74 VanDerWaalsContact C-N 3.32Å; V72-Y74 PolarHBondContact O-N 3.22Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.33Å; Y74-T77 WeakPolarHBondContact O-CB 3.3Å; Y74-T77 PolarHBondContact O-N 2.99Å; Y74-T77 VanDerWaalsContact O-N 3.14Å; Y74-I78 WeakPolarHBondContact O-CB 3.43Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.4Å; Y74-I78 PolarHBondContact O-N 2.56Å; Y74-G118 WeakPolarHBondContact CD2-O 3.41Å; Y74-V119 VanDerWaalsContact CD2-C 3.5Å; Y74-L120 HydrophobicContact CD1-CB 3.78Å; Y74-L120 HydrophobicContact CD1-CD2 4.11Å; Y74-L120 HydrophobicContact CD2-CB 3.97Å; Y74-L120 HydrophobicContact CE1-CB 3.82Å; Y74-L120 HydrophobicContact CE1-CD2 4.15Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.83Å; Y74-I163 HydrophobicContact CD1-CG2 3.77Å; Y74-I163 HydrophobicContact CE1-CG2 3.55Å; Y74-I163 WeakPolarHBondContact CE1-O 3.43Å; Y74-I163 PolarHBondContact OH-O 2.9Å; Y74-Y168 AromaticContact CE1-CD1 3.68Å; Y74-Y168 HydrophobicContact CE1-CD1 3.68Å; Y74-Y168 AromaticContact CE1-CE1 3.98Å; Y74-Y168 HydrophobicContact CE1-CE1 3.98Å; Y74-Y168 AromaticContact CZ-CD1 3.88Å
75S97.7Very high98Very high28 Ų2832.1 Ų32.120%0.19616%0.161CC..Hα-helixtrans-58.6-44.8176.71770000111.6A71 V72 T77 I78 Q79 E115A71-S75 WeakPolarHBondContact O-CB 3.41Å; A71-S75 PolarHBondContact O-N 2.81Å; V72-S75 PolarHBondContact O-N 3Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.81Å; S75-I78 PolarHBondContact O-N 2.71Å; S75-Q79 VanDerWaalsContact O-CB 3.25Å; S75-Q79 WeakPolarHBondContact O-CB 3.49Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 2.8Å; S75-Q79 PolarHBondContact OG-NE2 3.05Å; S75-E115 PolarHBondContact OG-OE1 2.9Å; S75-E115 VanDerWaalsContact OG-OE1 3.1Å
76N98.2Very high98Very high8 Ų835.4 Ų35.44%0.04317%0.174CC..Hα-helixtrans-62.4-37.2177.2-69.9174.4000112.7V72 V73 Y74 S80 Y156 T178 R179V72-N76 WeakPolarHBondContact O-CB 3.29Å; V72-N76 PolarHBondContact O-N 3.41Å; V72-N76 PolarHBondContact O-ND2 2.88Å; V72-N76 PolarHBondContact O-OD1 3.02Å; V73-N76 PolarHBondContact O-N 3Å; Y74-N76 VanDerWaalsContact C-N 3.34Å; Y74-N76 PolarHBondContact O-N 3.33Å; N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.06Å; N76-S80 PolarHBondContact O-N 3.19Å; N76-S80 VanDerWaalsContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 3.33Å; N76-Y156 HydrophobicContact CB-CD2 4.4Å; N76-Y156 HydrophobicContact CB-CE2 4.07Å; N76-T178 WeakPolarHBondContact OD1-CA 3.44Å; N76-R179 PolarHBondContact ND2-O 3.28Å; N76-R179 PolarHBondContact OD1-N 3Å; N76-R179 PolarHBondContact OD1-O 2.92Å
77T98.4Very high98Very high0 Ų035.2 Ų35.20%017%0.173CC..Hα-helixtrans-67.5-51.5177.5-54.70000110.8V73 Y74 S75 S80 I81 Y156 L157 L160V73-T77 WeakPolarHBondContact O-CB 3.34Å; V73-T77 PolarHBondContact O-N 2.96Å; V73-T77 PolarHBondContact O-OG1 2.87Å; Y74-T77 WeakPolarHBondContact O-CB 3.3Å; Y74-T77 PolarHBondContact O-N 2.99Å; Y74-T77 VanDerWaalsContact O-N 3.14Å; S75-T77 VanDerWaalsContact C-N 3.31Å; S75-T77 PolarHBondContact O-N 2.81Å; T77-S80 PolarHBondContact O-N 2.76Å; T77-I81 PolarHBondContact O-N 3.04Å; T77-Y156 WeakPolarHBondContact OG1-CB 3.23Å; T77-L157 HydrophobicContact CG2-CD2 3.89Å; T77-L160 HydrophobicContact CG2-CD1 3.9Å
78I98.3Very high98.1Very high1 Ų131 Ų311%0.00516%0.158CC..Hα-helixtrans-61.1-48.1-179.9-67165.3000110.7Y74 S75 S80 I81 M82 A114 E115 L120 L124 I128Y74-I78 WeakPolarHBondContact O-CB 3.43Å; Y74-I78 VanDerWaalsContact O-CG1 3.28Å; Y74-I78 WeakPolarHBondContact O-CG1 3.4Å; Y74-I78 PolarHBondContact O-N 2.56Å; S75-I78 PolarHBondContact O-N 2.71Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.48Å; I78-I81 WeakPolarHBondContact O-CG2 3.35Å; I78-I81 PolarHBondContact O-N 2.8Å; I78-M82 HydrophobicContact CG2-CG 4.36Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.48Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 2.72Å; I78-A114 HydrophobicContact CD1-CB 3.99Å; I78-E115 HydrophobicContact CD1-CG 4.33Å; I78-E115 HydrophobicContact CG2-CG 4.2Å; I78-L120 HydrophobicContact CD1-CD1 4.21Å; I78-L120 HydrophobicContact CG1-CD1 4.21Å; I78-L124 HydrophobicContact CD1-CD2 3.91Å; I78-L124 HydrophobicContact CG1-CD2 4.22Å; I78-I128 HydrophobicContact CG1-CD1 4.1Å
79Q97.9Very high98.1Very high84 Ų8427.5 Ų27.539%0.39316%0.157SC..Hα-helixtrans-63.1-35.5178.6-71.5174.23.800112.3S75 A83 E115S75-Q79 VanDerWaalsContact O-CB 3.25Å; S75-Q79 WeakPolarHBondContact O-CB 3.49Å; S75-Q79 WeakPolarHBondContact O-CG 3.38Å; S75-Q79 PolarHBondContact O-N 2.8Å; S75-Q79 PolarHBondContact OG-NE2 3.05Å; Q79-A83 VanDerWaalsContact O-CB 3.32Å; Q79-A83 WeakPolarHBondContact O-CB 3.37Å; Q79-A83 PolarHBondContact O-N 3.04Å; Q79-E115 VanDerWaalsContact CG-OE1 3.26Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.21Å; Q79-E115 PolarHBondContact NE2-OE1 3.46Å
80S98.5Very high98Very high1 Ų131.5 Ų31.51%0.00718%0.182CC..Hα-helixtrans-65.6-48.5179.1-63.10000111.5N76 T77 I78 A83 I84 L149N76-S80 VanDerWaalsContact O-CB 3.28Å; N76-S80 WeakPolarHBondContact O-CB 3.06Å; N76-S80 PolarHBondContact O-N 3.19Å; N76-S80 VanDerWaalsContact O-N 3.12Å; N76-S80 PolarHBondContact O-OG 3.33Å; T77-S80 PolarHBondContact O-N 2.76Å; I78-S80 VanDerWaalsContact C-N 3.28Å; I78-S80 PolarHBondContact O-N 3.48Å; S80-A83 PolarHBondContact O-N 3.44Å; S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 3.42Å; S80-I84 VanDerWaalsContact O-N 3.12Å; S80-L149 WeakPolarHBondContact O-CD1 3.36Å
81I98.6Very high98Very high0 Ų030 Ų300%018%0.179CC..Hα-helixtrans-67.7-37.4177.9-171.364.6000112T77 I78 A83 I84 V85 L107 I128 L131 W132 V137 L157T77-I81 PolarHBondContact O-N 3.04Å; I78-I81 WeakPolarHBondContact O-CG2 3.35Å; I78-I81 PolarHBondContact O-N 2.8Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.08Å; I81-I84 PolarHBondContact O-N 3.36Å; I81-V85 HydrophobicContact CD1-CG2 4.49Å; I81-V85 HydrophobicContact CG1-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.91Å; I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 3.95Å; I81-L107 HydrophobicContact CG2-CD2 4.12Å; I81-I128 HydrophobicContact CB-CG2 4.28Å; I81-I128 HydrophobicContact CG1-CG2 4.24Å; I81-I128 HydrophobicContact CG2-CD1 4.04Å; I81-I128 HydrophobicContact CG2-CG1 3.96Å; I81-I128 HydrophobicContact CG2-CG2 4.08Å; I81-L131 HydrophobicContact CD1-CB 4.26Å; I81-L131 HydrophobicContact CG1-CB 4.45Å; I81-W132 HydrophobicContact CD1-CE3 4.34Å; I81-V137 HydrophobicContact CD1-CG1 4.08Å; I81-L157 HydrophobicContact CB-CD2 4.01Å
82M98.4Very high98Very high22 Ų2236.4 Ų36.411%0.10820%0.201CC..Hα-helixtrans-61.3-39.5173.6-73171.879.400112.2I78 K86 L107 F108 S111I78-M82 HydrophobicContact CG2-CG 4.36Å; I78-M82 HydrophobicContact CG2-SD 3.64Å; I78-M82 WeakPolarHBondContact O-CB 3.48Å; I78-M82 WeakPolarHBondContact O-CG 3.4Å; I78-M82 PolarHBondContact O-N 2.72Å; M82-K86 WeakPolarHBondContact O-CB 3.33Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.33Å; M82-K86 PolarHBondContact O-N 3.1Å; M82-L107 HydrophobicContact CG-CD1 4.15Å; M82-L107 HydrophobicContact CG-CD2 4.1Å; M82-L107 HydrophobicContact CG-CG 4.05Å; M82-F108 HydrophobicContact CB-CE1 3.98Å; M82-F108 HydrophobicContact CE-CD1 3.67Å; M82-F108 HydrophobicContact CE-CE1 3.86Å; M82-F108 HydrophobicContact CG-CD1 4.33Å; M82-F108 HydrophobicContact CG-CE1 3.95Å; M82-S111 VanDerWaalsContact CE-OG 3.27Å; M82-S111 WeakPolarHBondContact CE-OG 3.44Å; M82-S111 VanDerWaalsContact SD-CB 3.51Å
83A98.4Very high98.1Very high27 Ų2736.1 Ų36.122%0.22320%0.199CC..Hα-helixtrans-63.5-44.3176.800000111.3Q79 S80 I81 K86 A87 L149Q79-A83 VanDerWaalsContact O-CB 3.32Å; Q79-A83 WeakPolarHBondContact O-CB 3.37Å; Q79-A83 PolarHBondContact O-N 3.04Å; S80-A83 PolarHBondContact O-N 3.44Å; I81-A83 VanDerWaalsContact C-N 3.31Å; I81-A83 PolarHBondContact O-N 3.08Å; A83-K86 PolarHBondContact O-N 3Å; A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 3.14Å; A83-L149 HydrophobicContact CB-CD1 4.14Å
84I98.7Very high98.1Very high0 Ų042.9 Ų42.90%024%0.235CC..Hα-helixtrans-62.2-49.9177-61.6159.9000110.5S80 I81 K86 A87 M88 W132 V137 C140 F141 Y147 L149 L157S80-I84 WeakPolarHBondContact O-CG1 3.31Å; S80-I84 PolarHBondContact O-N 3.42Å; S80-I84 VanDerWaalsContact O-N 3.12Å; I81-I84 PolarHBondContact O-N 3.36Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.25Å; I84-A87 WeakPolarHBondContact O-CB 3.43Å; I84-A87 PolarHBondContact O-N 3.33Å; I84-A87 VanDerWaalsContact O-N 3.08Å; I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 3.2Å; I84-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CZ3 3.8Å; I84-V137 HydrophobicContact CG2-CG1 3.87Å; I84-C140 HydrophobicContact CG2-CB 4.1Å; I84-F141 HydrophobicContact CD1-CD2 4.02Å; I84-Y147 HydrophobicContact CG1-CE2 4.18Å; I84-L149 HydrophobicContact CD1-CD1 4.2Å; I84-L149 HydrophobicContact CD1-CD2 4.18Å; I84-L149 HydrophobicContact CG1-CD1 3.87Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; I84-L157 HydrophobicContact CD1-CD1 4Å
85V98.4Very high98.1Very high13 Ų1345 Ų458%0.07924%0.244CC..Hα-helixtrans-63.5-38-179.31740000112I81 M88 F95 A104 L107 F108 L131I81-V85 HydrophobicContact CD1-CG2 4.49Å; I81-V85 HydrophobicContact CG1-CG2 4.42Å; I81-V85 WeakPolarHBondContact O-CG2 3.45Å; I81-V85 PolarHBondContact O-N 2.91Å; V85-M88 WeakPolarHBondContact O-CB 3.47Å; V85-M88 PolarHBondContact O-N 3.07Å; V85-F95 HydrophobicContact CG1-CZ 4.31Å; V85-A104 HydrophobicContact CG1-CB 3.91Å; V85-L107 HydrophobicContact CB-CD2 4.43Å; V85-L107 HydrophobicContact CG2-CD2 4.02Å; V85-F108 HydrophobicContact CB-CE2 4.41Å; V85-F108 HydrophobicContact CB-CZ 4.19Å; V85-F108 HydrophobicContact CG1-CE2 3.66Å; V85-F108 HydrophobicContact CG1-CZ 3.91Å; V85-L131 HydrophobicContact CG2-CD1 4.38Å
86K98.2Very high98.1Very high125 Ų12546.6 Ų46.654%0.54326%0.259SS..Hα-helixtrans-63.4-42.8172.1-77173.2176.4172.10111.6M82 A83 I84 M88 G89 N90 F108M82-K86 WeakPolarHBondContact O-CB 3.33Å; M82-K86 VanDerWaalsContact O-CG 3.3Å; M82-K86 WeakPolarHBondContact O-CG 3.33Å; M82-K86 PolarHBondContact O-N 3.1Å; A83-K86 PolarHBondContact O-N 3Å; I84-K86 VanDerWaalsContact C-N 3.34Å; I84-K86 PolarHBondContact O-N 3.25Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 2.83Å; K86-G89 PolarHBondContact O-N 2.75Å; K86-N90 PolarHBondContact O-N 3.46Å; K86-F108 HydrophobicContact CD-CE1 4.29Å; K86-F108 HydrophobicContact CG-CE1 4.01Å; K86-F108 HydrophobicContact CG-CZ 3.77Å
87A98.3Very high98.1Very high3 Ų349.1 Ų49.13%0.02527%0.272CS..Hα-helixtrans-64.8-32.6178.900000112.6A83 I84 G89 N90 L91 Y147A83-A87 WeakPolarHBondContact O-CB 3.44Å; A83-A87 PolarHBondContact O-N 3.14Å; I84-A87 WeakPolarHBondContact O-CB 3.43Å; I84-A87 PolarHBondContact O-N 3.33Å; I84-A87 VanDerWaalsContact O-N 3.08Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.25Å; A87-N90 PolarHBondContact O-N 3.34Å; A87-N90 VanDerWaalsContact O-N 3.13Å; A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 3.42Å; A87-Y147 HydrophobicContact CB-CD1 3.38Å; A87-Y147 HydrophobicContact CB-CD2 3.66Å; A87-Y147 HydrophobicContact CB-CE1 3.58Å; A87-Y147 HydrophobicContact CB-CE2 3.85Å; A87-Y147 HydrophobicContact CB-CG 3.42Å; A87-Y147 VanDerWaalsContact CB-CG 3.42Å
88M98.4Very high98Very high5 Ų554.1 Ų54.13%0.02531%0.305CS..Hα-helixtrans-54.4-43.7173.6-70.6179.673.100112.1I84 V85 K86 L91 Q92 I93 F95 V137 C140I84-M88 WeakPolarHBondContact O-CG 3.25Å; I84-M88 PolarHBondContact O-N 3.2Å; V85-M88 WeakPolarHBondContact O-CB 3.47Å; V85-M88 PolarHBondContact O-N 3.07Å; K86-M88 VanDerWaalsContact C-N 3.3Å; K86-M88 PolarHBondContact O-N 2.83Å; M88-L91 PolarHBondContact O-N 3.01Å; M88-Q92 WeakPolarHBondContact O-CA 3.43Å; M88-Q92 PolarHBondContact O-N 2.87Å; M88-I93 HydrophobicContact CB-CB 4.47Å; M88-I93 HydrophobicContact CE-CG2 4.22Å; M88-I93 WeakPolarHBondContact CE-O 3.5Å; M88-I93 HydrophobicContact CG-CB 4.5Å; M88-I93 PolarHBondContact O-N 3.5Å; M88-F95 HydrophobicContact CE-CD1 3.57Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.07Å; M88-F95 HydrophobicContact CE-CZ 4.23Å; M88-F95 HydrophobicContact SD-CD1 4.15Å; M88-F95 HydrophobicContact SD-CE1 3.65Å; M88-F95 HydrophobicContact SD-CZ 4.17Å; M88-V137 HydrophobicContact CE-CG2 4.14Å; M88-V137 HydrophobicContact SD-CB 4.26Å; M88-V137 HydrophobicContact SD-CG2 3.53Å; M88-V137 VanDerWaalsContact SD-CG2 3.53Å; M88-C140 HydrophobicContact CG-CB 3.51Å; M88-C140 VanDerWaalsContact CG-SG 3.55Å; M88-C140 HydrophobicContact SD-CB 4.49Å
89G96.6Very high97.9Very high59 Ų5956.8 Ų56.861%0.60832%0.324SS*.Hα-helixtrans-62.5-43.2176.700000112.9K86 A87 Q92K86-G89 PolarHBondContact O-N 2.75Å; A87-G89 VanDerWaalsContact C-N 3.27Å; A87-G89 PolarHBondContact O-N 3.25Å; G89-Q92 PolarHBondContact O-N 2.87Å
90N96.3Very high97.9Very high141 Ų14154.8 Ų54.875%0.75431%0.313SS*.Hα-helixtrans-69-37.5179.1-66.8-13.4000112.6K86 A87 Q92K86-N90 PolarHBondContact O-N 3.46Å; A87-N90 PolarHBondContact O-N 3.34Å; A87-N90 VanDerWaalsContact O-N 3.13Å; N90-Q92 VanDerWaalsContact C-N 3.31Å
91L97.8Very high97.9Very high34 Ų3456.8 Ų56.818%0.17833%0.329CS..Hα-helixtrans-88.40.4-178.2-61.8-178.6000113.3A87 M88 I93 R143 E146 Y147A87-L91 WeakPolarHBondContact O-CB 3.47Å; A87-L91 VanDerWaalsContact O-CG 3.31Å; A87-L91 WeakPolarHBondContact O-CG 3.24Å; A87-L91 PolarHBondContact O-N 3.42Å; M88-L91 PolarHBondContact O-N 3.01Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.92Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-I93 PolarHBondContact O-N 3.4Å; L91-R143 HydrophobicContact CD1-CB 4.1Å; L91-E146 HydrophobicContact CD1-CB 4.36Å; L91-E146 HydrophobicContact CD2-CB 4.17Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.49Å; L91-Y147 HydrophobicContact CD1-CD1 4.13Å; L91-Y147 HydrophobicContact CD1-CE1 4.18Å
92Q97.7Very high97.8Very high175 Ų17559.7 Ų59.782%0.81835%0.345SS*.THydrogen-bonded Turntrans53.846.4-178.1-57.4-176.6-35.800112.5M88 G89 N90M88-Q92 WeakPolarHBondContact O-CA 3.43Å; M88-Q92 PolarHBondContact O-N 2.87Å; G89-Q92 PolarHBondContact O-N 2.87Å; N90-Q92 VanDerWaalsContact C-N 3.31Å
93I98.1Very high97.8Very high31 Ų3159 Ų5916%0.15934%0.341CS..PPolyproline II helixtrans-101.9116.5176.9-57.3172.8000108M88 L91 G136 C140M88-I93 HydrophobicContact CB-CB 4.47Å; M88-I93 HydrophobicContact CE-CG2 4.22Å; M88-I93 WeakPolarHBondContact CE-O 3.5Å; M88-I93 HydrophobicContact CG-CB 4.5Å; M88-I93 PolarHBondContact O-N 3.5Å; L91-I93 VanDerWaalsContact C-N 3.32Å; L91-I93 HydrophobicContact CB-CD1 3.83Å; L91-I93 HydrophobicContact CB-CG1 3.92Å; L91-I93 HydrophobicContact CD1-CD1 4.16Å; L91-I93 PolarHBondContact O-N 3.4Å; I93-G136 WeakPolarHBondContact CG2-O 3.17Å; I93-C140 HydrophobicContact CD1-CB 3.71Å
94D98.1Very high97.8Very high141 Ų14158.1 Ų58.175%0.75433%0.334SS*.PPolyproline II helixtrans-74.9153175.3-66-39.7000111.4G136D94-G136 WeakPolarHBondContact O-CA 3.22Å
95F98.5Very high97.8Very high46 Ų4665.8 Ų65.820%0.20236%0.363CS..PPolyproline II helixtrans-64.2141.4165.1-63.4-73.6000109.9V85 M88 D97 R100 A101 A104 L131 V137V85-F95 HydrophobicContact CG1-CZ 4.31Å; M88-F95 HydrophobicContact CE-CD1 3.57Å; M88-F95 HydrophobicContact CE-CE1 3.66Å; M88-F95 HydrophobicContact CE-CG 4.07Å; M88-F95 HydrophobicContact CE-CZ 4.23Å; M88-F95 HydrophobicContact SD-CD1 4.15Å; M88-F95 HydrophobicContact SD-CE1 3.65Å; M88-F95 HydrophobicContact SD-CZ 4.17Å; F95-D97 WeakPolarHBondContact CB-O 3.47Å; F95-R100 HydrophobicContact CB-CB 3.95Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.46Å; F95-R100 HydrophobicContact CD2-CB 4.38Å; F95-R100 HydrophobicContact CE1-CB 4.23Å; F95-R100 HydrophobicContact CG-CB 3.72Å; F95-A101 HydrophobicContact CD2-CB 4.34Å; F95-A101 HydrophobicContact CE2-CB 4.43Å; F95-A104 HydrophobicContact CE2-CB 4.15Å; F95-A104 HydrophobicContact CZ-CB 3.67Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.82Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; F95-V137 HydrophobicContact CD1-CG2 3.95Å; F95-V137 HydrophobicContact CE1-CG2 3.79Å
96A98.2Very high97.7Very high62 Ų6268.4 Ų68.451%0.51238%0.375SS..SBendtrans-69.1-38.3175.500000111.4D134 H135A96-D134 WeakPolarHBondContact CB-OD2 3.43Å; A96-D134 PolarHBondContact N-OD1 3.34Å; A96-D134 PolarHBondContact N-OD2 2.9Å; A96-D134 VanDerWaalsContact N-OD2 3.1Å; A96-H135 HydrophobicContact CB-CB 3.76Å
97D97.9Very high97.7Very high61 Ų6162.4 Ų62.433%0.32635%0.349SS..SBendtrans-101.8112.7167.6177.3-6.7000110.1F95 S99 R100 D134F95-D97 WeakPolarHBondContact CB-O 3.47Å; D97-S99 PolarHBondContact O-N 2.78Å; D97-S99 VanDerWaalsContact OD1-CB 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 3.37Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.19Å; D97-S99 PolarHBondContact OD2-OG 2.88Å; D97-R100 HydrophobicContact CB-CG 4.02Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.3Å; D97-R100 VanDerWaalsContact O-CG 3.29Å; D97-R100 WeakPolarHBondContact O-CG 3.23Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD2-CZ 3.59Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.25Å; D97-R100 IonicContact OD2-NH2 3.54Å; D97-D134 PolarHBondContact N-OD2 3.33Å
98P96.9Very high97.7Very high106 Ų10665.9 Ų65.969%0.68836%0.363SS*.THydrogen-bonded Turntrans-56-23.6179.6-27.435.4000114.7R100 A101P98-R100 PolarHBondContact O-N 3.11Å; P98-A101 WeakPolarHBondContact O-CB 3.42Å; P98-A101 PolarHBondContact O-N 3.28Å
99S96.3Very high97.6Very high57 Ų5769.2 Ų69.240%0.39939%0.391SS..THydrogen-bonded Turntrans-66.3-20.9176.170.50000113D97 A101 D102D97-S99 PolarHBondContact O-N 2.78Å; D97-S99 VanDerWaalsContact OD1-CB 3.29Å; D97-S99 WeakPolarHBondContact OD1-CB 3.37Å; D97-S99 PolarHBondContact OD1-N 3.36Å; D97-S99 PolarHBondContact OD1-OG 3.19Å; D97-S99 PolarHBondContact OD2-OG 2.88Å; S99-A101 PolarHBondContact O-N 2.91Å; S99-D102 PolarHBondContact O-N 3.38Å; S99-D102 VanDerWaalsContact O-N 3.12Å
100R98.1Very high97.6Very high42 Ų4268.8 Ų68.816%0.15838%0.375CS..Hα-helixtrans-64.4-16.9174.2-61.3-66.78777.410113.3F95 D97 P98 D102 D103 A104 R130 L131 D134F95-R100 HydrophobicContact CB-CB 3.95Å; F95-R100 HydrophobicContact CD1-CB 3.62Å; F95-R100 HydrophobicContact CD1-CG 4.46Å; F95-R100 HydrophobicContact CD2-CB 4.38Å; F95-R100 HydrophobicContact CE1-CB 4.23Å; F95-R100 HydrophobicContact CG-CB 3.72Å; D97-R100 HydrophobicContact CB-CG 4.02Å; D97-R100 VanDerWaalsContact O-CB 3.25Å; D97-R100 WeakPolarHBondContact O-CB 3.3Å; D97-R100 VanDerWaalsContact O-CG 3.29Å; D97-R100 WeakPolarHBondContact O-CG 3.23Å; D97-R100 PolarHBondContact O-N 3.03Å; D97-R100 IonicContact OD2-CZ 3.59Å; D97-R100 IonicContact OD2-NH1 2.75Å; D97-R100 PolarHBondContact OD2-NH1 3.25Å; D97-R100 IonicContact OD2-NH2 3.54Å; P98-R100 PolarHBondContact O-N 3.11Å; R100-D102 PolarHBondContact O-N 3.3Å; R100-D103 IonicContact CZ-OD2 3.57Å; R100-D103 IonicContact NE-OD2 3.39Å; R100-D103 PolarHBondContact NE-OD2 3.42Å; R100-D103 IonicContact NH2-OD2 2.71Å; R100-D103 PolarHBondContact NH2-OD2 3.37Å; R100-D103 WeakPolarHBondContact O-CB 3.42Å; R100-D103 PolarHBondContact O-N 3.08Å; R100-D103 VanDerWaalsContact O-N 3.17Å; R100-A104 PolarHBondContact O-N 2.88Å; R100-R130 WeakPolarHBondContact CD-O 3.4Å; R100-L131 HydrophobicContact CB-CD2 4.12Å; R100-D134 HydrophobicContact CG-CB 4.1Å
101A97.3Very high97.6Very high43 Ų4362.3 Ų62.336%0.35534%0.341SS..Hα-helixtrans-62.1-30.2172.200000112.6F95 P98 S99 R105F95-A101 HydrophobicContact CD2-CB 4.34Å; F95-A101 HydrophobicContact CE2-CB 4.43Å; P98-A101 WeakPolarHBondContact O-CB 3.42Å; P98-A101 PolarHBondContact O-N 3.28Å; S99-A101 PolarHBondContact O-N 2.91Å; A101-R105 PolarHBondContact O-N 2.99Å
102D97.8Very high97.4Very high61 Ų6163.9 Ų63.933%0.32635%0.354SS..Hα-helixtrans-73.5-42.4172.1-167.774.1000111.5S99 R100 A104 R105 Q106S99-D102 PolarHBondContact O-N 3.38Å; S99-D102 VanDerWaalsContact O-N 3.12Å; R100-D102 PolarHBondContact O-N 3.3Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.46Å; D102-R105 WeakPolarHBondContact O-CB 3.46Å; D102-R105 PolarHBondContact O-N 2.82Å; D102-R105 IonicContact OD1-CZ 3.61Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 3.48Å; D102-R105 IonicContact OD1-NH2 2.76Å; D102-R105 PolarHBondContact OD1-NH2 2.61Å; D102-Q106 WeakPolarHBondContact O-CG 3.11Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact OD2-NE2 2.66Å
103D98.3Very high97.2Very high7 Ų759 Ų594%0.03734%0.336CS..Hα-helixtrans-58.3-40.8174.1-72.5-39.3000111.8R100 R105 Q106 L107 V127 R130 L131R100-D103 IonicContact CZ-OD2 3.57Å; R100-D103 IonicContact NE-OD2 3.39Å; R100-D103 PolarHBondContact NE-OD2 3.42Å; R100-D103 IonicContact NH2-OD2 2.71Å; R100-D103 PolarHBondContact NH2-OD2 3.37Å; R100-D103 WeakPolarHBondContact O-CB 3.42Å; R100-D103 PolarHBondContact O-N 3.08Å; R100-D103 VanDerWaalsContact O-N 3.17Å; D103-R105 VanDerWaalsContact C-N 3.35Å; D103-R105 PolarHBondContact O-N 3.25Å; D103-Q106 PolarHBondContact O-N 3.36Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 3.44Å; D103-V127 HydrophobicContact CB-CG1 4.12Å; D103-V127 WeakPolarHBondContact O-CG1 3.43Å; D103-R130 IonicContact OD1-CZ 2.91Å; D103-R130 VanDerWaalsContact OD1-CZ 3.28Å; D103-R130 IonicContact OD1-NE 3.29Å; D103-R130 PolarHBondContact OD1-NE 2.86Å; D103-R130 IonicContact OD1-NH2 3.55Å; D103-R130 PolarHBondContact OD1-NH2 2.7Å; D103-R130 IonicContact OD2-CZ 3.3Å; D103-R130 IonicContact OD2-NE 3.51Å; D103-R130 PolarHBondContact OD2-NE 3.19Å; D103-L131 HydrophobicContact CB-CD1 4.35Å; D103-L131 HydrophobicContact CB-CD2 3.89Å; D103-L131 HydrophobicContact CB-CG 3.92Å
104A98Very high97.1Very high9 Ų957.7 Ų57.77%0.07433%0.33CS..Hα-helixtrans-62.1-40.3174.600000112.3V85 F95 R100 D102 L107 F108 L131V85-A104 HydrophobicContact CG1-CB 3.91Å; F95-A104 HydrophobicContact CE2-CB 4.15Å; F95-A104 HydrophobicContact CZ-CB 3.67Å; R100-A104 PolarHBondContact O-N 2.88Å; D102-A104 VanDerWaalsContact C-N 3.29Å; D102-A104 PolarHBondContact O-N 3.46Å; A104-L107 PolarHBondContact O-N 3.03Å; A104-F108 WeakPolarHBondContact O-CD2 3.27Å; A104-F108 PolarHBondContact O-N 3.13Å; A104-L131 HydrophobicContact CB-CD2 4.36Å
105R97.7Very high96.9Very high160 Ų16053.8 Ų53.860%0.60431%0.307SS*.Hα-helixtrans-64.1-43.5173.9-75-174.8-79.2114.8-1.4111.4A101 D102 D103 F108 A109A101-R105 PolarHBondContact O-N 2.99Å; D102-R105 WeakPolarHBondContact O-CB 3.46Å; D102-R105 PolarHBondContact O-N 2.82Å; D102-R105 IonicContact OD1-CZ 3.61Å; D102-R105 IonicContact OD1-NH1 2.82Å; D102-R105 PolarHBondContact OD1-NH1 3.48Å; D102-R105 IonicContact OD1-NH2 2.76Å; D102-R105 PolarHBondContact OD1-NH2 2.61Å; D103-R105 VanDerWaalsContact C-N 3.35Å; D103-R105 PolarHBondContact O-N 3.25Å; R105-F108 PolarHBondContact O-N 3.46Å; R105-A109 PolarHBondContact O-N 2.95Å; R105-A109 VanDerWaalsContact O-N 3.15Å
106Q97.8Very high96.7Very high68 Ų6859 Ų5932%0.31833%0.332SS..Hα-helixtrans-63.6-41.3176.8-67.4-176.439.900112D102 D103 F108 A109 L110 V127D102-Q106 WeakPolarHBondContact O-CG 3.11Å; D102-Q106 PolarHBondContact O-N 3.07Å; D102-Q106 PolarHBondContact OD2-NE2 2.66Å; D103-Q106 PolarHBondContact O-N 3.36Å; Q106-F108 PolarHBondContact O-N 3.2Å; Q106-A109 PolarHBondContact O-N 3.44Å; Q106-A109 VanDerWaalsContact O-N 3.15Å; Q106-L110 WeakPolarHBondContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.25Å; Q106-L110 PolarHBondContact O-N 3.45Å; Q106-V127 HydrophobicContact CB-CG1 4.47Å; Q106-V127 HydrophobicContact CB-CG2 3.94Å
107L98.2Very high96.5Very high0 Ų062.2 Ų62.20%034%0.336CS..Hα-helixtrans-52.3-53.4176.417162000111.1I81 M82 V85 D103 A104 A109 L110 S111 L124 V127 I128 L131I81-L107 HydrophobicContact CG1-CD2 4.13Å; I81-L107 HydrophobicContact CG2-CD1 3.95Å; I81-L107 HydrophobicContact CG2-CD2 4.12Å; M82-L107 HydrophobicContact CG-CD1 4.15Å; M82-L107 HydrophobicContact CG-CD2 4.1Å; M82-L107 HydrophobicContact CG-CG 4.05Å; V85-L107 HydrophobicContact CB-CD2 4.43Å; V85-L107 HydrophobicContact CG2-CD2 4.02Å; D103-L107 WeakPolarHBondContact O-CB 3.37Å; D103-L107 PolarHBondContact O-N 3.44Å; A104-L107 PolarHBondContact O-N 3.03Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.05Å; L107-L110 PolarHBondContact O-N 3.27Å; L107-S111 VanDerWaalsContact O-CB 3.23Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 3Å; L107-S111 PolarHBondContact O-OG 3.26Å; L107-L124 HydrophobicContact CD1-CD1 3.79Å; L107-V127 HydrophobicContact CB-CG1 3.91Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L107-L131 HydrophobicContact CB-CD1 4.01Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.44Å
108F97.2Very high96.3Very high76 Ų7660.2 Ų60.233%0.33333%0.33SS..Hα-helixtrans-69.7-28.3-179.3-68.1-64.9000113.5M82 V85 K86 A104 R105 Q106 S111M82-F108 HydrophobicContact CB-CE1 3.98Å; M82-F108 HydrophobicContact CE-CD1 3.67Å; M82-F108 HydrophobicContact CE-CE1 3.86Å; M82-F108 HydrophobicContact CG-CD1 4.33Å; M82-F108 HydrophobicContact CG-CE1 3.95Å; V85-F108 HydrophobicContact CB-CE2 4.41Å; V85-F108 HydrophobicContact CB-CZ 4.19Å; V85-F108 HydrophobicContact CG1-CE2 3.66Å; V85-F108 HydrophobicContact CG1-CZ 3.91Å; K86-F108 HydrophobicContact CD-CE1 4.29Å; K86-F108 HydrophobicContact CG-CE1 4.01Å; K86-F108 HydrophobicContact CG-CZ 3.77Å; A104-F108 WeakPolarHBondContact O-CD2 3.27Å; A104-F108 PolarHBondContact O-N 3.13Å; R105-F108 PolarHBondContact O-N 3.46Å; Q106-F108 PolarHBondContact O-N 3.2Å; F108-S111 PolarHBondContact O-OG 2.9Å
109A96.9Very high96.2Very high74 Ų7457.8 Ų57.861%0.61231%0.313SS*.Hα-helixtrans-72.7-37.5177.200000112.4R105 Q106 L107R105-A109 PolarHBondContact O-N 2.95Å; R105-A109 VanDerWaalsContact O-N 3.15Å; Q106-A109 PolarHBondContact O-N 3.44Å; Q106-A109 VanDerWaalsContact O-N 3.15Å; L107-A109 VanDerWaalsContact C-N 3.33Å; L107-A109 PolarHBondContact O-N 3.05Å
110L96.5Very high96.3Very high50 Ų5055.6 Ų55.626%0.26230%0.297SS..Hα-helixtrans-90.3-27.4-175.4-63.8173.7000113.2Q106 L107 C112 T113 A114 D123 L124Q106-L110 WeakPolarHBondContact O-CB 3.26Å; Q106-L110 WeakPolarHBondContact O-CG 3.25Å; Q106-L110 PolarHBondContact O-N 3.45Å; L107-L110 PolarHBondContact O-N 3.27Å; L110-C112 PolarHBondContact O-N 3.42Å; L110-T113 PolarHBondContact O-N 3.48Å; L110-A114 PolarHBondContact O-N 2.95Å; L110-A114 VanDerWaalsContact O-N 3.16Å; L110-D123 HydrophobicContact CD1-CB 4.49Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.14Å; L110-L124 HydrophobicContact CB-CD2 4.49Å; L110-L124 HydrophobicContact CD1-CB 4.27Å
111S95.9Very high96.1Very high5 Ų555.9 Ų55.94%0.03530%0.304CS..Hα-helixtrans-58.9-42.8-171.364.70000113.6M82 L107 F108 T113 A114 E115M82-S111 VanDerWaalsContact CE-OG 3.27Å; M82-S111 WeakPolarHBondContact CE-OG 3.44Å; M82-S111 VanDerWaalsContact SD-CB 3.51Å; L107-S111 VanDerWaalsContact O-CB 3.23Å; L107-S111 WeakPolarHBondContact O-CB 3.25Å; L107-S111 PolarHBondContact O-N 3Å; L107-S111 PolarHBondContact O-OG 3.26Å; F108-S111 PolarHBondContact O-OG 2.9Å; S111-T113 PolarHBondContact O-N 3.41Å; S111-A114 PolarHBondContact O-N 3.24Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 WeakPolarHBondContact O-CG 3.5Å; S111-E115 PolarHBondContact O-N 3.2Å
112C93.2Very high96Very high68 Ų6860 Ų6046%0.45932%0.32SS..Hα-helixtrans-59.8-47.4-176-164.60000111.3L110 E115 E116L110-C112 PolarHBondContact O-N 3.42Å; C112-E115 PolarHBondContact O-N 3.32Å; C112-E116 WeakPolarHBondContact O-CG 3.46Å; C112-E116 PolarHBondContact O-N 3.07Å; C112-E116 PolarHBondContact SG-OE1 2.95Å
113T94.4Very high95.9Very high72 Ų7261.3 Ų61.344%0.44233%0.327SS..Hα-helixtrans-67.2-41.5179.9-58.20000111L110 S111 E116 Q117L110-T113 PolarHBondContact O-N 3.48Å; S111-T113 PolarHBondContact O-N 3.41Å; T113-E116 PolarHBondContact O-N 3.26Å; T113-Q117 HydrophobicContact CG2-CG 4.5Å; T113-Q117 WeakPolarHBondContact O-CB 3.45Å; T113-Q117 WeakPolarHBondContact O-CG 3.34Å; T113-Q117 PolarHBondContact O-N 3.05Å
114A95.1Very high95.9Very high3 Ų361 Ų613%0.02533%0.326CS..Hα-helixtrans-63.3-42.317900000112.3I78 L110 S111 G118 V119 L124I78-A114 HydrophobicContact CD1-CB 3.99Å; L110-A114 PolarHBondContact O-N 2.95Å; L110-A114 VanDerWaalsContact O-N 3.16Å; S111-A114 PolarHBondContact O-N 3.24Å; A114-G118 PolarHBondContact O-N 3.47Å; A114-V119 PolarHBondContact O-N 3.45Å; A114-L124 HydrophobicContact CB-CD2 3.45Å; A114-L124 VanDerWaalsContact CB-CD2 3.45Å
115E94.2Very high95.9Very high60 Ų6060.9 Ų60.928%0.2832%0.324SS..Hα-helixtrans-66.6-44.1176.8-73-169.9100.300112.3S75 I78 Q79 S111 C112 Q117 G118S75-E115 PolarHBondContact OG-OE1 2.9Å; S75-E115 VanDerWaalsContact OG-OE1 3.1Å; I78-E115 HydrophobicContact CD1-CG 4.33Å; I78-E115 HydrophobicContact CG2-CG 4.2Å; Q79-E115 VanDerWaalsContact CG-OE1 3.26Å; Q79-E115 WeakPolarHBondContact CG-OE1 3.21Å; Q79-E115 PolarHBondContact NE2-OE1 3.46Å; S111-E115 WeakPolarHBondContact O-CB 3.4Å; S111-E115 WeakPolarHBondContact O-CG 3.5Å; S111-E115 PolarHBondContact O-N 3.2Å; C112-E115 PolarHBondContact O-N 3.32Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.19Å; E115-G118 PolarHBondContact O-N 2.67Å
116E93.9Very high95.9Very high154 Ų15454 Ų5472%0.7230%0.304SS*.Hα-helixtrans-61.2-38.4177.4-76.2173.2-167.400112.5C112 T113C112-E116 WeakPolarHBondContact O-CG 3.46Å; C112-E116 PolarHBondContact O-N 3.07Å; C112-E116 PolarHBondContact SG-OE1 2.95Å; T113-E116 PolarHBondContact O-N 3.26Å
117Q94.5Very high95.9Very high131 Ų13150.8 Ų50.861%0.61229%0.288SS*.Hα-helixtrans-84.8-12.6179-69.1179.31.300113.3T113 E115 V119T113-Q117 HydrophobicContact CG2-CG 4.5Å; T113-Q117 WeakPolarHBondContact O-CB 3.45Å; T113-Q117 WeakPolarHBondContact O-CG 3.34Å; T113-Q117 PolarHBondContact O-N 3.05Å; E115-Q117 VanDerWaalsContact C-N 3.3Å; E115-Q117 PolarHBondContact O-N 3.19Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; Q117-V119 HydrophobicContact CB-CG1 4.45Å; Q117-V119 HydrophobicContact CB-CG2 3.77Å; Q117-V119 PolarHBondContact O-N 3.08Å
118G94.3Very high95.9Very high19 Ų1950.8 Ų50.820%0.19629%0.288CS..THydrogen-bonded Turntrans64.434.8-176.500000113.4Y74 A114 E115Y74-G118 WeakPolarHBondContact CD2-O 3.41Å; A114-G118 PolarHBondContact O-N 3.47Å; E115-G118 PolarHBondContact O-N 2.67Å
119V95.3Very high96Very high55 Ų5552.4 Ų52.433%0.33329%0.292SS..  trans-124.2162.9-178-62.20000111.4Y74 A114 Q117 P121Y74-V119 VanDerWaalsContact CD2-C 3.5Å; A114-V119 PolarHBondContact O-N 3.45Å; Q117-V119 VanDerWaalsContact C-N 3.33Å; Q117-V119 HydrophobicContact CB-CG1 4.45Å; Q117-V119 HydrophobicContact CB-CG2 3.77Å; Q117-V119 PolarHBondContact O-N 3.08Å; V119-P121 HydrophobicContact CG2-CG 3.93Å
120L96.8Very high96.1Very high11 Ų1153.5 Ų53.56%0.05828%0.281CS..  trans-125.889.3171.8-177.961.8000108.8Y74 I78 L124 I128 L160 I163 A164Y74-L120 HydrophobicContact CD1-CB 3.78Å; Y74-L120 HydrophobicContact CD1-CD2 4.11Å; Y74-L120 HydrophobicContact CD2-CB 3.97Å; Y74-L120 HydrophobicContact CE1-CB 3.82Å; Y74-L120 HydrophobicContact CE1-CD2 4.15Å; Y74-L120 HydrophobicContact CE2-CB 3.99Å; Y74-L120 HydrophobicContact CG-CB 3.83Å; I78-L120 HydrophobicContact CD1-CD1 4.21Å; I78-L120 HydrophobicContact CG1-CD1 4.21Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; L120-I128 HydrophobicContact CD1-CD1 4.04Å; L120-L160 HydrophobicContact CD2-CD1 3.94Å; L120-I163 HydrophobicContact CD2-CG2 4.17Å; L120-A164 HydrophobicContact CD2-CB 4.12Å
121P95.2Very high96.2Very high48 Ų4851.1 Ų51.131%0.31227%0.268SS..  trans-67.9156.7-177.3-22.236.6000112.7V119 D123 L124 S125V119-P121 HydrophobicContact CG2-CG 3.93Å; P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 VanDerWaalsContact CB-OD1 3.23Å; P121-D123 WeakPolarHBondContact CB-OD1 3.28Å; P121-D123 PolarHBondContact O-N 2.88Å; P121-L124 PolarHBondContact O-N 2.88Å; P121-S125 PolarHBondContact O-N 2.79Å
122D95.7Very high96.3Very high129 Ų12951.9 Ų51.969%0.6927%0.27SS*.Hα-helixtrans-62.1-35-174.7-71.4-22.3000114S125 G126D122-S125 WeakPolarHBondContact CA-OG 3.39Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-S125 VanDerWaalsContact O-OG 3.14Å; D122-G126 PolarHBondContact O-N 3.11Å
123D95.8Very high96.5Very high89 Ų8952.1 Ų52.148%0.47628%0.277SS..Hα-helixtrans-64.3-47.8175.858.8-13.5000111L110 P121 G126 V127L110-D123 HydrophobicContact CD1-CB 4.49Å; P121-D123 VanDerWaalsContact C-N 3.32Å; P121-D123 VanDerWaalsContact CB-OD1 3.23Å; P121-D123 WeakPolarHBondContact CB-OD1 3.28Å; P121-D123 PolarHBondContact O-N 2.88Å; D123-G126 PolarHBondContact O-N 3.1Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 2.8Å
124L97.6Very high96.7Very high1 Ų149.2 Ų49.21%0.00526%0.259CS..Hα-helixtrans-66.1-44.7176.5179.456.2000111.6I78 L107 L110 A114 L120 P121 G126 V127 I128I78-L124 HydrophobicContact CD1-CD2 3.91Å; I78-L124 HydrophobicContact CG1-CD2 4.22Å; L107-L124 HydrophobicContact CD1-CD1 3.79Å; L110-L124 HydrophobicContact CB-CB 4.42Å; L110-L124 HydrophobicContact CB-CD1 4.14Å; L110-L124 HydrophobicContact CB-CD2 4.49Å; L110-L124 HydrophobicContact CD1-CB 4.27Å; A114-L124 HydrophobicContact CB-CD2 3.45Å; A114-L124 VanDerWaalsContact CB-CD2 3.45Å; L120-L124 HydrophobicContact CD1-CD2 4.06Å; L120-L124 HydrophobicContact CD1-CG 4.03Å; P121-L124 PolarHBondContact O-N 2.88Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 2.83Å; L124-V127 WeakPolarHBondContact O-CB 3.38Å; L124-V127 PolarHBondContact O-N 2.82Å; L124-I128 HydrophobicContact CD1-CD1 4.03Å; L124-I128 HydrophobicContact CD1-CG1 4.05Å; L124-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CG-CG1 4.41Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.84Å
125S97.5Very high96.9Very high6 Ų656.2 Ų56.24%0.04229%0.291CS..Hα-helixtrans-62.7-37.9178.378.90000111.6P121 D122 I128 R129P121-S125 PolarHBondContact O-N 2.79Å; D122-S125 WeakPolarHBondContact CA-OG 3.39Å; D122-S125 PolarHBondContact O-OG 3.26Å; D122-S125 VanDerWaalsContact O-OG 3.14Å; S125-I128 PolarHBondContact O-N 3.02Å; S125-R129 WeakPolarHBondContact O-CB 3.3Å; S125-R129 PolarHBondContact O-N 3.02Å
126G97.8Very high97.1Very high16 Ų1653.7 Ų53.717%0.16528%0.281CS..Hα-helixtrans-62.8-42.9172.700000113D122 D123 L124 R129 R130D122-G126 PolarHBondContact O-N 3.11Å; D123-G126 PolarHBondContact O-N 3.1Å; L124-G126 VanDerWaalsContact C-N 3.29Å; L124-G126 PolarHBondContact O-N 2.83Å; G126-R129 PolarHBondContact O-N 2.72Å; G126-R130 WeakPolarHBondContact O-CG 3.36Å; G126-R130 PolarHBondContact O-N 3.04Å; G126-R130 VanDerWaalsContact O-N 3.14Å; G126-R130 PolarHBondContact O-NH1 3.24Å
127V98.2Very high97.3Very high0 Ų046.3 Ų46.30%025%0.246CC..Hα-helixtrans-60.8-51174163.90000111.1D103 Q106 L107 D123 L124 R129 R130 L131D103-V127 HydrophobicContact CB-CG1 4.12Å; D103-V127 WeakPolarHBondContact O-CG1 3.43Å; Q106-V127 HydrophobicContact CB-CG1 4.47Å; Q106-V127 HydrophobicContact CB-CG2 3.94Å; L107-V127 HydrophobicContact CB-CG1 3.91Å; D123-V127 WeakPolarHBondContact O-CG2 3.33Å; D123-V127 PolarHBondContact O-N 2.8Å; L124-V127 WeakPolarHBondContact O-CB 3.38Å; L124-V127 PolarHBondContact O-N 2.82Å; V127-R129 VanDerWaalsContact C-N 3.28Å; V127-R129 PolarHBondContact O-N 3.26Å; V127-R130 PolarHBondContact O-N 3.15Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 2.68Å
128I98.6Very high97.5Very high0 Ų043.3 Ų43.30%023%0.232CC..Hα-helixtrans-59.6-41.7-179.7-65.3176.1000110.4I78 I81 L107 L120 L124 S125 L131 W132 L157 L160I78-I128 HydrophobicContact CG1-CD1 4.1Å; I81-I128 HydrophobicContact CB-CG2 4.28Å; I81-I128 HydrophobicContact CG1-CG2 4.24Å; I81-I128 HydrophobicContact CG2-CD1 4.04Å; I81-I128 HydrophobicContact CG2-CG1 3.96Å; I81-I128 HydrophobicContact CG2-CG2 4.08Å; L107-I128 HydrophobicContact CD1-CD1 4.42Å; L107-I128 HydrophobicContact CD1-CG1 3.99Å; L120-I128 HydrophobicContact CD1-CD1 4.04Å; L124-I128 HydrophobicContact CD1-CD1 4.03Å; L124-I128 HydrophobicContact CD1-CG1 4.05Å; L124-I128 HydrophobicContact CG-CD1 3.99Å; L124-I128 HydrophobicContact CG-CG1 4.41Å; L124-I128 VanDerWaalsContact O-CG1 3.29Å; L124-I128 WeakPolarHBondContact O-CG1 3.45Å; L124-I128 PolarHBondContact O-N 2.84Å; S125-I128 PolarHBondContact O-N 3.02Å; I128-L131 PolarHBondContact O-N 2.96Å; I128-W132 VanDerWaalsContact O-CB 3.3Å; I128-W132 WeakPolarHBondContact O-CB 3.26Å; I128-W132 PolarHBondContact O-N 3.42Å; I128-L157 HydrophobicContact CG2-CD2 3.67Å; I128-L160 HydrophobicContact CB-CD2 3.9Å; I128-L160 HydrophobicContact CG2-CD1 4.31Å; I128-L160 HydrophobicContact CG2-CD2 3.6Å
129R98.3Very high97.7Very high109 Ų10945 Ų4541%0.41124%0.244SC..Hα-helixtrans-60.8-47178-171.2-168.5-54.7-124.3-2.2112.6S125 G126 V127 L131 W132 A133 L160 E161S125-R129 WeakPolarHBondContact O-CB 3.3Å; S125-R129 PolarHBondContact O-N 3.02Å; G126-R129 PolarHBondContact O-N 2.72Å; V127-R129 VanDerWaalsContact C-N 3.28Å; V127-R129 PolarHBondContact O-N 3.26Å; R129-L131 VanDerWaalsContact C-N 3.35Å; R129-W132 PolarHBondContact O-N 2.87Å; R129-A133 WeakPolarHBondContact O-CB 3.48Å; R129-A133 PolarHBondContact O-N 3.27Å; R129-L160 HydrophobicContact CB-CD2 3.93Å; R129-E161 IonicContact CZ-OE2 3.28Å; R129-E161 IonicContact NH1-OE2 3.05Å; R129-E161 PolarHBondContact NH1-OE2 3.12Å; R129-E161 IonicContact NH2-OE2 3.03Å; R129-E161 PolarHBondContact NH2-OE2 3.02Å
130R98.5Very high97.9Very high98 Ų9842.3 Ų42.337%0.3723%0.228SC..Hα-helixtrans-64.6-40.8178.9-73.1-170.3-61.8-83.74111.7R100 D103 G126 V127 D134R100-R130 WeakPolarHBondContact CD-O 3.4Å; D103-R130 IonicContact OD1-CZ 2.91Å; D103-R130 VanDerWaalsContact OD1-CZ 3.28Å; D103-R130 IonicContact OD1-NE 3.29Å; D103-R130 PolarHBondContact OD1-NE 2.86Å; D103-R130 IonicContact OD1-NH2 3.55Å; D103-R130 PolarHBondContact OD1-NH2 2.7Å; D103-R130 IonicContact OD2-CZ 3.3Å; D103-R130 IonicContact OD2-NE 3.51Å; D103-R130 PolarHBondContact OD2-NE 3.19Å; G126-R130 WeakPolarHBondContact O-CG 3.36Å; G126-R130 PolarHBondContact O-N 3.04Å; G126-R130 VanDerWaalsContact O-N 3.14Å; G126-R130 PolarHBondContact O-NH1 3.24Å; V127-R130 PolarHBondContact O-N 3.15Å; R130-D134 PolarHBondContact O-N 2.82Å
131L98.7Very high98Very high0 Ų044.2 Ų44.20%024%0.236CC..Hα-helixtrans-64-49.6174.6-70.2169.6000111I81 V85 F95 R100 D103 A104 L107 V127 I128 R129 A133 D134 V137I81-L131 HydrophobicContact CD1-CB 4.26Å; I81-L131 HydrophobicContact CG1-CB 4.45Å; V85-L131 HydrophobicContact CG2-CD1 4.38Å; F95-L131 HydrophobicContact CD1-CD2 4.49Å; F95-L131 HydrophobicContact CE1-CD2 3.82Å; F95-L131 HydrophobicContact CZ-CD2 4.4Å; R100-L131 HydrophobicContact CB-CD2 4.12Å; D103-L131 HydrophobicContact CB-CD1 4.35Å; D103-L131 HydrophobicContact CB-CD2 3.89Å; D103-L131 HydrophobicContact CB-CG 3.92Å; A104-L131 HydrophobicContact CB-CD2 4.36Å; L107-L131 HydrophobicContact CB-CD1 4.01Å; L107-L131 HydrophobicContact CD2-CD1 3.77Å; L107-L131 HydrophobicContact CG-CD1 4.44Å; V127-L131 HydrophobicContact CG1-CD1 3.8Å; V127-L131 WeakPolarHBondContact O-CG 3.37Å; V127-L131 PolarHBondContact O-N 2.68Å; I128-L131 PolarHBondContact O-N 2.96Å; R129-L131 VanDerWaalsContact C-N 3.35Å; L131-A133 PolarHBondContact O-N 2.88Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.25Å; L131-V137 WeakPolarHBondContact O-CB 3.41Å; L131-V137 WeakPolarHBondContact O-CG1 3.22Å; L131-V137 WeakPolarHBondContact O-CG2 3.28Å
132W98.6Very high98Very high20 Ų2045 Ų458%0.07625%0.252CS..Hα-helixtrans-62.7-32.2-178.4-173.7-124000112.9I81 I84 I128 R129 D134 V137 Q138 F141 L157 N158I81-W132 HydrophobicContact CD1-CE3 4.34Å; I84-W132 HydrophobicContact CD1-CE3 4.4Å; I84-W132 HydrophobicContact CD1-CZ3 3.8Å; I128-W132 VanDerWaalsContact O-CB 3.3Å; I128-W132 WeakPolarHBondContact O-CB 3.26Å; I128-W132 PolarHBondContact O-N 3.42Å; R129-W132 PolarHBondContact O-N 2.87Å; W132-D134 VanDerWaalsContact C-N 3.29Å; W132-D134 PolarHBondContact O-N 2.82Å; W132-V137 HydrophobicContact CE3-CG1 4.08Å; W132-Q138 VanDerWaalsContact CE3-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.34Å; W132-Q138 PolarHBondContact O-NE2 3.02Å; W132-F141 HydrophobicContact CH2-CB 4.08Å; W132-F141 AromaticContact CH2-CD1 3.78Å; W132-F141 HydrophobicContact CH2-CD1 3.78Å; W132-F141 AromaticContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CE1 4.18Å; W132-F141 HydrophobicContact CH2-CE2 4.14Å; W132-F141 AromaticContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CZ 4.37Å; W132-F141 HydrophobicContact CZ3-CB 3.93Å; W132-F141 HydrophobicContact CZ3-CD1 4.49Å; W132-F141 HydrophobicContact CZ3-CD2 4.04Å; W132-F141 AromaticContact CZ3-CG 3.88Å; W132-F141 HydrophobicContact CZ3-CG 3.88Å; W132-L157 VanDerWaalsContact CD1-O 3.28Å; W132-L157 HydrophobicContact CD2-CB 3.66Å; W132-L157 HydrophobicContact CD2-CD1 3.93Å; W132-L157 HydrophobicContact CD2-CG 4.32Å; W132-L157 VanDerWaalsContact CE2-CB 3.5Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CG-CB 3.85Å; W132-L157 HydrophobicContact CH2-CD1 4.13Å; W132-L157 HydrophobicContact CZ2-CB 4.02Å; W132-L157 HydrophobicContact CZ2-CD1 4.35Å; W132-L157 HydrophobicContact CZ3-CD1 3.8Å; W132-N158 PolarHBondContact NE1-OD1 3.46Å
133A98.4Very high98.1Very high74 Ų7443.1 Ų43.161%0.61224%0.236SC*.THydrogen-bonded Turntrans-75.1-12.4174.900000114.4R129 L131R129-A133 WeakPolarHBondContact O-CB 3.48Å; R129-A133 PolarHBondContact O-N 3.27Å; L131-A133 PolarHBondContact O-N 2.88Å
134D98.7Very high98.1Very high10 Ų1040.6 Ų40.65%0.05323%0.225CC..  trans-72.2134.3-178.5-177.2-93.8000111.9A96 D97 R100 R130 L131 W132 G136 V137 Q138A96-D134 WeakPolarHBondContact CB-OD2 3.43Å; A96-D134 PolarHBondContact N-OD1 3.34Å; A96-D134 PolarHBondContact N-OD2 2.9Å; A96-D134 VanDerWaalsContact N-OD2 3.1Å; D97-D134 PolarHBondContact N-OD2 3.33Å; R100-D134 HydrophobicContact CG-CB 4.1Å; R130-D134 PolarHBondContact O-N 2.82Å; L131-D134 VanDerWaalsContact O-CB 3.27Å; L131-D134 WeakPolarHBondContact O-CB 3.39Å; L131-D134 PolarHBondContact O-N 3.25Å; W132-D134 VanDerWaalsContact C-N 3.29Å; W132-D134 PolarHBondContact O-N 2.82Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.38Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.33Å; D134-G136 PolarHBondContact OD1-N 3.01Å; D134-V137 HydrophobicContact CB-CB 4.17Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 2.97Å; D134-V137 PolarHBondContact OD1-N 3.48Å; D134-Q138 WeakPolarHBondContact O-CG 3.48Å; D134-Q138 PolarHBondContact O-N 3.14Å
135H98.4Very high98Very high151 Ų15145.5 Ų45.570%0.69924%0.243SC*.Hα-helixtrans-66.5-29.1-178.3-71.4-68000113.7A96 A139A96-H135 HydrophobicContact CB-CB 3.76Å; H135-A139 VanDerWaalsContact O-CB 3.3Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.44Å
136G98.6Very high97.9Very high6 Ų649.5 Ų49.56%0.06226%0.261CS..Hα-helixtrans-68.9-41.8173.600000111.6I93 D94 D134 A139 C140I93-G136 WeakPolarHBondContact CG2-O 3.17Å; D94-G136 WeakPolarHBondContact O-CA 3.22Å; D134-G136 VanDerWaalsContact C-N 3.3Å; D134-G136 PolarHBondContact O-N 3.38Å; D134-G136 VanDerWaalsContact OD1-CA 3.26Å; D134-G136 WeakPolarHBondContact OD1-CA 3.33Å; D134-G136 PolarHBondContact OD1-N 3.01Å; G136-A139 PolarHBondContact O-N 2.95Å; G136-C140 PolarHBondContact O-N 2.91Å
137V98.7Very high97.9Very high0 Ų050.2 Ų50.20%026%0.259CS..Hα-helixtrans-62.1-45.7172.8174.90000110.9I81 I84 M88 F95 L131 W132 D134 A139 C140 F141I81-V137 HydrophobicContact CD1-CG1 4.08Å; I84-V137 HydrophobicContact CG2-CG1 3.87Å; M88-V137 HydrophobicContact CE-CG2 4.14Å; M88-V137 HydrophobicContact SD-CB 4.26Å; M88-V137 HydrophobicContact SD-CG2 3.53Å; M88-V137 VanDerWaalsContact SD-CG2 3.53Å; F95-V137 HydrophobicContact CD1-CG2 3.95Å; F95-V137 HydrophobicContact CE1-CG2 3.79Å; L131-V137 WeakPolarHBondContact O-CB 3.41Å; L131-V137 WeakPolarHBondContact O-CG1 3.22Å; L131-V137 WeakPolarHBondContact O-CG2 3.28Å; W132-V137 HydrophobicContact CE3-CG1 4.08Å; D134-V137 HydrophobicContact CB-CB 4.17Å; D134-V137 HydrophobicContact CB-CG2 3.95Å; D134-V137 PolarHBondContact O-N 2.97Å; D134-V137 PolarHBondContact OD1-N 3.48Å; V137-A139 PolarHBondContact O-N 3.49Å; V137-C140 WeakPolarHBondContact O-CB 3.19Å; V137-C140 PolarHBondContact O-N 3.48Å; V137-F141 PolarHBondContact O-N 3.39Å
138Q98.6Very high97.8Very high67 Ų6753.9 Ų53.931%0.31328%0.276SS..Hα-helixtrans-62.3-40.2175.6-71.8-63-42.600112.5W132 D134 C140 F141 G142W132-Q138 VanDerWaalsContact CE3-NE2 3.29Å; W132-Q138 VanDerWaalsContact CZ2-NE2 3.34Å; W132-Q138 PolarHBondContact O-NE2 3.02Å; D134-Q138 WeakPolarHBondContact O-CG 3.48Å; D134-Q138 PolarHBondContact O-N 3.14Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.49Å; Q138-F141 WeakPolarHBondContact O-CB 3.43Å; Q138-F141 PolarHBondContact O-N 3.01Å; Q138-G142 PolarHBondContact O-N 3.03Å
139A98.3Very high97.8Very high54 Ų5455.1 Ų55.145%0.44628%0.283SS..Hα-helixtrans-62.9-38.6174.700000112H135 G136 V137 G142H135-A139 VanDerWaalsContact O-CB 3.3Å; H135-A139 WeakPolarHBondContact O-CB 3.35Å; H135-A139 PolarHBondContact O-N 3.44Å; G136-A139 PolarHBondContact O-N 2.95Å; V137-A139 PolarHBondContact O-N 3.49Å; A139-G142 PolarHBondContact O-N 3.36Å
140C98.6Very high97.6Very high0 Ų051.7 Ų51.70%027%0.273CS..Hα-helixtrans-68.3-38.3174.3-171.40000112.4I84 M88 I93 G136 V137 Q138 G142 R143 Y147I84-C140 HydrophobicContact CG2-CB 4.1Å; M88-C140 HydrophobicContact CG-CB 3.51Å; M88-C140 VanDerWaalsContact CG-SG 3.55Å; M88-C140 HydrophobicContact SD-CB 4.49Å; I93-C140 HydrophobicContact CD1-CB 3.71Å; G136-C140 PolarHBondContact O-N 2.91Å; V137-C140 WeakPolarHBondContact O-CB 3.19Å; V137-C140 PolarHBondContact O-N 3.48Å; Q138-C140 VanDerWaalsContact C-N 3.32Å; Q138-C140 PolarHBondContact O-N 3.49Å; C140-G142 VanDerWaalsContact C-N 3.31Å; C140-G142 PolarHBondContact O-N 3.46Å; C140-R143 CarbonylContact O-C 3.27Å; C140-R143 WeakPolarHBondContact O-CA 3.31Å; C140-R143 PolarHBondContact O-N 3.49Å; C140-Y147 WeakPolarHBondContact O-CE1 3.48Å; C140-Y147 PolarHBondContact O-OH 2.98Å
141F98.3Very high97.4Very high51 Ų5149.9 Ų49.922%0.22427%0.27CS..Hα-helixtrans-60.5-39.5172.9176.9-104.1000112.2I84 W132 V137 Q138 R143 S144 Y147 L149 A153 A154I84-F141 HydrophobicContact CD1-CD2 4.02Å; W132-F141 HydrophobicContact CH2-CB 4.08Å; W132-F141 AromaticContact CH2-CD1 3.78Å; W132-F141 HydrophobicContact CH2-CD1 3.78Å; W132-F141 AromaticContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CD2 3.74Å; W132-F141 HydrophobicContact CH2-CE1 4.18Å; W132-F141 HydrophobicContact CH2-CE2 4.14Å; W132-F141 AromaticContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CG 3.56Å; W132-F141 HydrophobicContact CH2-CZ 4.37Å; W132-F141 HydrophobicContact CZ3-CB 3.93Å; W132-F141 HydrophobicContact CZ3-CD1 4.49Å; W132-F141 HydrophobicContact CZ3-CD2 4.04Å; W132-F141 AromaticContact CZ3-CG 3.88Å; W132-F141 HydrophobicContact CZ3-CG 3.88Å; V137-F141 PolarHBondContact O-N 3.39Å; Q138-F141 WeakPolarHBondContact O-CB 3.43Å; Q138-F141 PolarHBondContact O-N 3.01Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-R143 VanDerWaalsContact O-N 3.1Å; F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-OG 2.95Å; F141-Y147 WeakPolarHBondContact CA-OH 3.38Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.56Å; F141-A153 HydrophobicContact CE2-CB 4.39Å; F141-A154 HydrophobicContact CE1-CB 4.29Å; F141-A154 HydrophobicContact CE2-CB 4.35Å; F141-A154 HydrophobicContact CZ-CB 3.69Å
142G96.5Very high97.3Very high63 Ų6350.7 Ų50.765%0.64928%0.276SS*.THydrogen-bonded Turntrans-62-15.3173.200000114.6Q138 A139 C140Q138-G142 PolarHBondContact O-N 3.03Å; A139-G142 PolarHBondContact O-N 3.36Å; C140-G142 VanDerWaalsContact C-N 3.31Å; C140-G142 PolarHBondContact O-N 3.46Å
143R96.8Very high97.3Very high91 Ų9149.8 Ų49.834%0.34327%0.272SS..THydrogen-bonded Turntrans-105.620.2174.5-66.1176.166.8-173.70.3112.5L91 C140 F141 R145 E146 Y147L91-R143 HydrophobicContact CD1-CB 4.1Å; C140-R143 CarbonylContact O-C 3.27Å; C140-R143 WeakPolarHBondContact O-CA 3.31Å; C140-R143 PolarHBondContact O-N 3.49Å; F141-R143 PolarHBondContact O-N 3.2Å; F141-R143 VanDerWaalsContact O-N 3.1Å; R143-R145 PolarHBondContact O-N 3.41Å; R143-E146 WeakPolarHBondContact CB-OE1 3.38Å; R143-E146 IonicContact CZ-OE1 3.45Å; R143-E146 IonicContact CZ-OE2 2.69Å; R143-E146 IonicContact NE-OE1 2.68Å; R143-E146 PolarHBondContact NE-OE1 2.71Å; R143-E146 IonicContact NE-OE2 2.63Å; R143-E146 IonicContact NH2-OE1 3.42Å; R143-E146 PolarHBondContact NH2-OE1 3.31Å; R143-E146 IonicContact NH2-OE2 3.51Å; R143-E146 PolarHBondContact NH2-OE2 2.78Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 2.82Å; R143-Y147 WeakPolarHBondContact O-CE1 3.22Å
144S96.6Very high97.3Very high35 Ų3547.4 Ų47.425%0.24525%0.253CS..G310 helixtrans-58.6-11.7-177.249.60000115.7F141 E146F141-S144 WeakPolarHBondContact O-CB 3.27Å; F141-S144 PolarHBondContact O-N 3.29Å; F141-S144 PolarHBondContact O-OG 2.95Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.29Å
145R94.8Very high97.3Very high105 Ų10549.9 Ų49.940%0.39626%0.262SS..G310 helixtrans-71-19.5169.372.7178.3-174.4-1732.2114.1R143 Y147 L233 S282R143-R145 PolarHBondContact O-N 3.41Å; R145-Y147 VanDerWaalsContact C-N 3.32Å; R145-L233 HydrophobicContact CB-CD2 3.87Å; R145-S282 PolarHBondContact NH1-OG 3.13Å; R145-S282 VanDerWaalsContact NH1-OG 3.1Å
146E96Very high97.3Very high90 Ų9042.7 Ų42.742%0.42123%0.228SC..G310 helixtrans-87.5-1-176.1-61.5177.3-127.900112.8L91 R143 S144L91-E146 HydrophobicContact CD1-CB 4.36Å; L91-E146 HydrophobicContact CD2-CB 4.17Å; L91-E146 WeakPolarHBondContact CD2-OE2 3.49Å; R143-E146 WeakPolarHBondContact CB-OE1 3.38Å; R143-E146 IonicContact CZ-OE1 3.45Å; R143-E146 IonicContact CZ-OE2 2.69Å; R143-E146 IonicContact NE-OE1 2.68Å; R143-E146 PolarHBondContact NE-OE1 2.71Å; R143-E146 IonicContact NE-OE2 2.63Å; R143-E146 IonicContact NH2-OE1 3.42Å; R143-E146 PolarHBondContact NH2-OE1 3.31Å; R143-E146 IonicContact NH2-OE2 3.51Å; R143-E146 PolarHBondContact NH2-OE2 2.78Å; R143-E146 WeakPolarHBondContact O-CB 3.39Å; R143-E146 PolarHBondContact O-N 2.82Å; S144-E146 VanDerWaalsContact C-N 3.26Å; S144-E146 PolarHBondContact O-N 3.29Å
147Y97.2Very high97.3Very high31 Ų3142.6 Ų42.612%0.12223%0.226CC..SBendtrans-152.5173.7177.157.9-85000110.8I84 A87 L91 C140 F141 R143 R145 L149I84-Y147 HydrophobicContact CG1-CE2 4.18Å; A87-Y147 HydrophobicContact CB-CD1 3.38Å; A87-Y147 HydrophobicContact CB-CD2 3.66Å; A87-Y147 HydrophobicContact CB-CE1 3.58Å; A87-Y147 HydrophobicContact CB-CE2 3.85Å; A87-Y147 HydrophobicContact CB-CG 3.42Å; A87-Y147 VanDerWaalsContact CB-CG 3.42Å; L91-Y147 HydrophobicContact CD1-CD1 4.13Å; L91-Y147 HydrophobicContact CD1-CE1 4.18Å; C140-Y147 WeakPolarHBondContact O-CE1 3.48Å; C140-Y147 PolarHBondContact O-OH 2.98Å; F141-Y147 WeakPolarHBondContact CA-OH 3.38Å; R143-Y147 WeakPolarHBondContact O-CE1 3.22Å; R145-Y147 VanDerWaalsContact C-N 3.32Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.91Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.39Å; Y147-L149 PolarHBondContact O-N 2.84Å
148Q96.9Very high97.2Very high76 Ų7648.1 Ų48.136%0.35526%0.256SS..  trans-85.6112.3-179-57.5-61.6-36.100110.1V234 A236Q148-V234 PolarHBondContact NE2-O 2.85Å; Q148-A236 HydrophobicContact CG-CB 4.3Å
149L97.6Very high97.2Very high27 Ų2747.6 Ų47.614%0.14126%0.255CS..  trans-132.5140.5176.5-172.162.3000110.8S80 A83 I84 F141 Y147 A153S80-L149 WeakPolarHBondContact O-CD1 3.36Å; A83-L149 HydrophobicContact CB-CD1 4.14Å; I84-L149 HydrophobicContact CD1-CD1 4.2Å; I84-L149 HydrophobicContact CD1-CD2 4.18Å; I84-L149 HydrophobicContact CG1-CD1 3.87Å; I84-L149 HydrophobicContact CG1-CD2 3.98Å; F141-L149 HydrophobicContact CD2-CD2 3.54Å; F141-L149 HydrophobicContact CE2-CD2 3.56Å; Y147-L149 HydrophobicContact CD2-CB 4.22Å; Y147-L149 HydrophobicContact CE2-CB 3.91Å; Y147-L149 HydrophobicContact CE2-CD1 4.42Å; Y147-L149 HydrophobicContact CE2-CD2 4.16Å; Y147-L149 HydrophobicContact CE2-CG 4.39Å; Y147-L149 PolarHBondContact O-N 2.84Å; L149-A153 HydrophobicContact CD1-CB 3.87Å; L149-A153 HydrophobicContact CD2-CB 4.03Å; L149-A153 HydrophobicContact CG-CB 3.89Å
150N94.9Very high97.2Very high37 Ų3745.3 Ų45.320%0.19824%0.236CC..  trans-70.8134.6174.9-71.3-35.7000110.4S152 A153N150-S152 PolarHBondContact O-N 3.39Å; N150-A153 WeakPolarHBondContact O-CB 3.34Å; N150-A153 PolarHBondContact O-N 3.07Å
151D94.8Very high97.1Very high60 Ų6050 Ų5032%0.32126%0.257SS..THydrogen-bonded Turntrans-56.6-27.8177.6-65.1-28.4000113.6A153 K271 L274D151-A153 PolarHBondContact O-N 3.21Å; D151-K271 WeakPolarHBondContact OD2-CD 3.32Å; D151-K271 WeakPolarHBondContact OD2-CE 3.45Å; D151-K271 IonicContact OD2-NZ 2.69Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; D151-L274 HydrophobicContact CB-CD1 3.67Å
152S96.7Very high97Very high17 Ų1750.8 Ų50.812%0.11926%0.259CS..THydrogen-bonded Turntrans-81.41.9179.4-50.60000113.5N150 Y155 Y156 R177N150-S152 PolarHBondContact O-N 3.39Å; S152-Y155 WeakPolarHBondContact O-CB 3.37Å; S152-Y155 PolarHBondContact O-N 2.95Å; S152-Y156 VanDerWaalsContact O-CD2 3.29Å; S152-Y156 WeakPolarHBondContact O-CD2 3.4Å; S152-Y156 PolarHBondContact O-N 3.06Å; S152-Y156 VanDerWaalsContact O-N 3.14Å; S152-R177 WeakPolarHBondContact CB-O 3.39Å; S152-R177 PolarHBondContact OG-O 3.25Å
153A98.3Very high97.1Very high0 Ų047.8 Ų47.80%023%0.228CC..Hα-helixtrans-54.4-55.5-179.700000111.8F141 L149 N150 D151 Y155 Y156 L157F141-A153 HydrophobicContact CE2-CB 4.39Å; L149-A153 HydrophobicContact CD1-CB 3.87Å; L149-A153 HydrophobicContact CD2-CB 4.03Å; L149-A153 HydrophobicContact CG-CB 3.89Å; N150-A153 WeakPolarHBondContact O-CB 3.34Å; N150-A153 PolarHBondContact O-N 3.07Å; D151-A153 PolarHBondContact O-N 3.21Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.41Å; A153-Y156 PolarHBondContact O-N 3.46Å; A153-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.33Å; A153-L157 PolarHBondContact O-N 2.86Å
154A97.7Very high97.1Very high24 Ų2443.8 Ų43.820%0.19822%0.215CC..Hα-helixtrans-61.9-39179.400000112.3F141 Y156 N158F141-A154 HydrophobicContact CE1-CB 4.29Å; F141-A154 HydrophobicContact CE2-CB 4.35Å; F141-A154 HydrophobicContact CZ-CB 3.69Å; A154-Y156 PolarHBondContact O-N 2.91Å; A154-N158 WeakPolarHBondContact O-CB 3.46Å; A154-N158 PolarHBondContact O-N 3.48Å; A154-N158 PolarHBondContact O-ND2 3.49Å; A154-N158 VanDerWaalsContact O-ND2 3.14Å
155Y98.2Very high97.1Very high62 Ų6246.1 Ų46.124%0.24322%0.221CC..Hα-helixtrans-56.7-49.7178.7174-99.5000111.8S152 A153 Q173 D174 R177S152-Y155 WeakPolarHBondContact O-CB 3.37Å; S152-Y155 PolarHBondContact O-N 2.95Å; A153-Y155 VanDerWaalsContact C-N 3.31Å; A153-Y155 PolarHBondContact O-N 3.41Å; Y155-Q173 HydrophobicContact CE2-CG 4.23Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.33Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.32Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.44Å; Y155-D174 PolarHBondContact OH-OD1 2.76Å; Y155-D174 VanDerWaalsContact OH-OD1 3.05Å; Y155-R177 HydrophobicContact CD1-CB 3.92Å; Y155-R177 HydrophobicContact CD1-CG 3.81Å; Y155-R177 HydrophobicContact CE1-CB 4.02Å; Y155-R177 HydrophobicContact CE1-CG 3.86Å; Y155-R177 HydrophobicContact CG-CG 4.17Å
156Y98.5Very high97Very high0 Ų046 Ų460%024%0.237CC..Hα-helixtrans-76.9-41.5-179.8-63.3-53.1000113.2V73 N76 T77 S152 A153 A154 N158 D159 L160 I163 D174 R177 T178V73-Y156 HydrophobicContact CB-CE1 4.44Å; V73-Y156 HydrophobicContact CG1-CD1 3.84Å; V73-Y156 HydrophobicContact CG1-CE1 3.66Å; V73-Y156 HydrophobicContact CG2-CE1 4.18Å; N76-Y156 HydrophobicContact CB-CD2 4.4Å; N76-Y156 HydrophobicContact CB-CE2 4.07Å; T77-Y156 WeakPolarHBondContact OG1-CB 3.23Å; S152-Y156 VanDerWaalsContact O-CD2 3.29Å; S152-Y156 WeakPolarHBondContact O-CD2 3.4Å; S152-Y156 PolarHBondContact O-N 3.06Å; S152-Y156 VanDerWaalsContact O-N 3.14Å; A153-Y156 PolarHBondContact O-N 3.46Å; A154-Y156 PolarHBondContact O-N 2.91Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.48Å; Y156-D159 CarbonylContact O-C 3.5Å; Y156-D159 PolarHBondContact O-N 3.42Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; Y156-L160 PolarHBondContact O-N 2.77Å; Y156-I163 HydrophobicContact CD1-CD1 3.64Å; Y156-I163 HydrophobicContact CG-CD1 4.23Å; Y156-I163 WeakPolarHBondContact O-CD1 3.47Å; Y156-D174 HydrophobicContact CE1-CB 4.29Å; Y156-D174 PolarHBondContact OH-O 2.78Å; Y156-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 HydrophobicContact CE2-CB 4.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.39Å; Y156-R177 PolarHBondContact OH-O 3.33Å; Y156-T178 WeakPolarHBondContact OH-CA 3.39Å; Y156-T178 WeakPolarHBondContact OH-CG2 3.4Å; Y156-T178 PolarHBondContact OH-N 3.36Å
157L98.6Very high96.9Very high4 Ų447.5 Ų47.52%0.02125%0.248CC..Hα-helixtrans-67.3-32.2-177-66.5169.3000112.2T77 I81 I84 I128 W132 A153 D159T77-L157 HydrophobicContact CG2-CD2 3.89Å; I81-L157 HydrophobicContact CB-CD2 4.01Å; I84-L157 HydrophobicContact CD1-CD1 4Å; I128-L157 HydrophobicContact CG2-CD2 3.67Å; W132-L157 VanDerWaalsContact CD1-O 3.28Å; W132-L157 HydrophobicContact CD2-CB 3.66Å; W132-L157 HydrophobicContact CD2-CD1 3.93Å; W132-L157 HydrophobicContact CD2-CG 4.32Å; W132-L157 VanDerWaalsContact CE2-CB 3.5Å; W132-L157 HydrophobicContact CE3-CB 4.31Å; W132-L157 HydrophobicContact CE3-CD1 3.68Å; W132-L157 HydrophobicContact CG-CB 3.85Å; W132-L157 HydrophobicContact CH2-CD1 4.13Å; W132-L157 HydrophobicContact CZ2-CB 4.02Å; W132-L157 HydrophobicContact CZ2-CD1 4.35Å; W132-L157 HydrophobicContact CZ3-CD1 3.8Å; A153-L157 HydrophobicContact CB-CD1 4.39Å; A153-L157 VanDerWaalsContact O-CB 3.3Å; A153-L157 WeakPolarHBondContact O-CB 3.27Å; A153-L157 WeakPolarHBondContact O-CD1 3.48Å; A153-L157 WeakPolarHBondContact O-CG 3.33Å; A153-L157 PolarHBondContact O-N 2.86Å; L157-D159 VanDerWaalsContact C-N 3.31Å
158N98.3Very high97Very high116 Ų11646.4 Ų46.462%0.6224%0.244SC*.Hα-helixtrans-72.6-23.4174.7-69.6-19.5000113.3W132 A154 Y156W132-N158 PolarHBondContact NE1-OD1 3.46Å; A154-N158 WeakPolarHBondContact O-CB 3.46Å; A154-N158 PolarHBondContact O-N 3.48Å; A154-N158 PolarHBondContact O-ND2 3.49Å; A154-N158 VanDerWaalsContact O-ND2 3.14Å; Y156-N158 VanDerWaalsContact C-N 3.3Å; Y156-N158 PolarHBondContact O-N 3.48Å
159D97.8Very high97Very high56 Ų5645.4 Ų45.430%0.29924%0.24SC..THydrogen-bonded Turntrans-111.824.4-176.6-152.72.7000112.1Y156 L157 E161 R162 I163Y156-D159 CarbonylContact O-C 3.5Å; Y156-D159 PolarHBondContact O-N 3.42Å; Y156-D159 VanDerWaalsContact O-N 3.15Å; L157-D159 VanDerWaalsContact C-N 3.31Å; D159-E161 PolarHBondContact O-N 3.5Å; D159-R162 VanDerWaalsContact CG-NE 3.31Å; D159-R162 PolarHBondContact O-N 3.49Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact OD1-CB 3.42Å; D159-R162 IonicContact OD1-NE 3.78Å; D159-R162 IonicContact OD2-CZ 3.85Å; D159-R162 IonicContact OD2-NE 2.88Å; D159-R162 PolarHBondContact OD2-NE 2.89Å; D159-R162 IonicContact OD2-NH2 3.46Å; D159-R162 PolarHBondContact OD2-NH2 2.87Å; D159-I163 HydrophobicContact CB-CD1 4.35Å; D159-I163 WeakPolarHBondContact O-CG1 3.42Å; D159-I163 PolarHBondContact O-N 2.85Å; D159-I163 VanDerWaalsContact O-N 3.15Å
160L97.8Very high97Very high6 Ų644.3 Ų44.33%0.03123%0.234CC..Hα-helixtrans-60.5-30.9-174.8-17168.3000112.5T77 L120 I128 R129 Y156 R162 I163 A164T77-L160 HydrophobicContact CG2-CD1 3.9Å; L120-L160 HydrophobicContact CD2-CD1 3.94Å; I128-L160 HydrophobicContact CB-CD2 3.9Å; I128-L160 HydrophobicContact CG2-CD1 4.31Å; I128-L160 HydrophobicContact CG2-CD2 3.6Å; R129-L160 HydrophobicContact CB-CD2 3.93Å; Y156-L160 PolarHBondContact O-N 2.77Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.43Å; L160-I163 PolarHBondContact O-N 2.76Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å
161E96.1Very high97.2Very high98 Ų9845.5 Ų45.546%0.45824%0.243SC..Hα-helixtrans-58.9-43.2176.1-179.160.7-152.500111.8R129 D159 Q165R129-E161 IonicContact CZ-OE2 3.28Å; R129-E161 IonicContact NH1-OE2 3.05Å; R129-E161 PolarHBondContact NH1-OE2 3.12Å; R129-E161 IonicContact NH2-OE2 3.03Å; R129-E161 PolarHBondContact NH2-OE2 3.02Å; D159-E161 PolarHBondContact O-N 3.5Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-NE2 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 3.1Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.14Å
162R97.8Very high97.3Very high69 Ų6945.9 Ų45.926%0.2624%0.243SC..Hα-helixtrans-72.1-43.3177.7179.9-179.761.3862.4111.3D159 L160 Q165 Y168 D174D159-R162 VanDerWaalsContact CG-NE 3.31Å; D159-R162 PolarHBondContact O-N 3.49Å; D159-R162 VanDerWaalsContact O-N 3.1Å; D159-R162 WeakPolarHBondContact OD1-CB 3.42Å; D159-R162 IonicContact OD1-NE 3.78Å; D159-R162 IonicContact OD2-CZ 3.85Å; D159-R162 IonicContact OD2-NE 2.88Å; D159-R162 PolarHBondContact OD2-NE 2.89Å; D159-R162 IonicContact OD2-NH2 3.46Å; D159-R162 PolarHBondContact OD2-NH2 2.87Å; L160-R162 VanDerWaalsContact C-N 3.32Å; L160-R162 PolarHBondContact O-N 3.43Å; R162-Q165 PolarHBondContact O-N 3.38Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.26Å; R162-D174 IonicContact CZ-OD1 3.6Å; R162-D174 IonicContact CZ-OD2 3.51Å; R162-D174 IonicContact NH1-OD1 2.7Å; R162-D174 IonicContact NH1-OD2 3.5Å; R162-D174 PolarHBondContact NH1-OD2 3.28Å; R162-D174 IonicContact NH2-OD1 2.71Å; R162-D174 PolarHBondContact NH2-OD1 2.96Å; R162-D174 IonicContact NH2-OD2 3.39Å
163I97.8Very high97.4Very high0 Ų048 Ų480%025%0.251CS..Hα-helixtrans-69-35.2-175-66.9166.1000111.3V73 Y74 L120 Y156 D159 L160 Q165 Y168V73-I163 HydrophobicContact CG1-CD1 4.42Å; V73-I163 HydrophobicContact CG1-CG2 3.99Å; Y74-I163 HydrophobicContact CD1-CG2 3.77Å; Y74-I163 HydrophobicContact CE1-CG2 3.55Å; Y74-I163 WeakPolarHBondContact CE1-O 3.43Å; Y74-I163 PolarHBondContact OH-O 2.9Å; L120-I163 HydrophobicContact CD2-CG2 4.17Å; Y156-I163 HydrophobicContact CD1-CD1 3.64Å; Y156-I163 HydrophobicContact CG-CD1 4.23Å; Y156-I163 WeakPolarHBondContact O-CD1 3.47Å; D159-I163 HydrophobicContact CB-CD1 4.35Å; D159-I163 WeakPolarHBondContact O-CG1 3.42Å; D159-I163 PolarHBondContact O-N 2.85Å; D159-I163 VanDerWaalsContact O-N 3.15Å; L160-I163 PolarHBondContact O-N 2.76Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.07Å; I163-Y168 HydrophobicContact CB-CE1 4.4Å; I163-Y168 HydrophobicContact CG1-CE1 4.39Å; I163-Y168 HydrophobicContact CG1-CE2 4.43Å; I163-Y168 HydrophobicContact CG2-CD1 4.34Å; I163-Y168 HydrophobicContact CG2-CE1 4.03Å; I163-Y168 VanDerWaalsContact O-CD1 3.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.26Å
164A96.4Very high97.4Very high7 Ų748 Ų486%0.05825%0.251CS..THydrogen-bonded Turntrans-76-8.5-178.900000114.4L120 L160L120-A164 HydrophobicContact CD2-CB 4.12Å; L160-A164 WeakPolarHBondContact O-CB 3.33Å; L160-A164 PolarHBondContact O-N 3.41Å
165Q96.6Very high97.4Very high83 Ų8346.9 Ų46.939%0.38824%0.242SC..SBendtrans-62.8141.6178.2-60.5-58.2-48.100111.5R70 E161 R162 I163 D167 Y168R70-Q165 PolarHBondContact NH2-O 3.48Å; E161-Q165 WeakPolarHBondContact O-CG 3.5Å; E161-Q165 PolarHBondContact O-NE2 2.9Å; E161-Q165 PolarHBondContact OE1-NE2 3.1Å; E161-Q165 VanDerWaalsContact OE1-NE2 3.14Å; R162-Q165 PolarHBondContact O-N 3.38Å; I163-Q165 VanDerWaalsContact C-N 3.27Å; I163-Q165 PolarHBondContact O-N 3.07Å; Q165-D167 VanDerWaalsContact C-N 3.25Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.19Å; Q165-D167 PolarHBondContact O-N 3Å; Q165-Y168 WeakPolarHBondContact O-CB 3.32Å; Q165-Y168 PolarHBondContact O-N 3.3Å
166S93Very high97.4Very high104 Ų10444 Ų4473%0.72723%0.231SC*.THydrogen-bonded Turntrans-61.9-32.8-178.665.80000113.3R70R70-S166 PolarHBondContact NH1-O 3.37Å; R70-S166 PolarHBondContact NH2-O 2.76Å
167D94.9Very high97.3Very high120 Ų12046 Ų4664%0.64224%0.238SC*.THydrogen-bonded Turntrans-94.510.9177.665.8-27.3000113.2Q165 I169Q165-D167 VanDerWaalsContact C-N 3.25Å; Q165-D167 WeakPolarHBondContact CB-OD1 3.19Å; Q165-D167 PolarHBondContact O-N 3Å; D167-I169 PolarHBondContact O-N 3.06Å
168Y97.6Very high97.3Very high9 Ų946.2 Ų46.24%0.03524%0.239CC..  trans-54.6126.8177.7170.9-122.1000112R70 V73 Y74 R162 I163 Q165 P170 D174R70-Y168 WeakPolarHBondContact CD-O 3.37Å; R70-Y168 HydrophobicContact CG-CD1 4.15Å; R70-Y168 HydrophobicContact CG-CE1 4.44Å; R70-Y168 PolarHBondContact NE-O 3.23Å; R70-Y168 PolarHBondContact NH1-O 3.02Å; V73-Y168 HydrophobicContact CB-CE1 4.48Å; V73-Y168 HydrophobicContact CG1-CE1 4.1Å; Y74-Y168 AromaticContact CE1-CD1 3.68Å; Y74-Y168 HydrophobicContact CE1-CD1 3.68Å; Y74-Y168 AromaticContact CE1-CE1 3.98Å; Y74-Y168 HydrophobicContact CE1-CE1 3.98Å; Y74-Y168 AromaticContact CZ-CD1 3.88Å; R162-Y168 VanDerWaalsContact NH1-CE2 3.26Å; I163-Y168 HydrophobicContact CB-CE1 4.4Å; I163-Y168 HydrophobicContact CG1-CE1 4.39Å; I163-Y168 HydrophobicContact CG1-CE2 4.43Å; I163-Y168 HydrophobicContact CG2-CD1 4.34Å; I163-Y168 HydrophobicContact CG2-CE1 4.03Å; I163-Y168 VanDerWaalsContact O-CD1 3.3Å; I163-Y168 WeakPolarHBondContact O-CD1 3.26Å; Q165-Y168 WeakPolarHBondContact O-CB 3.32Å; Q165-Y168 PolarHBondContact O-N 3.3Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-P170 WeakPolarHBondContact OH-CA 3.48Å; Y168-D174 PolarHBondContact OH-OD2 3.04Å
169I97.8Very high97.2Very high54 Ų5442.9 Ų42.928%0.27722%0.218SC..  trans-119.9125.7169.1-58.2166.8000107.4E63 C66 D167 T171E63-I169 HydrophobicContact CG-CD1 3.9Å; E63-I169 HydrophobicContact CG-CG2 3.94Å; E63-I169 WeakPolarHBondContact OE1-CD1 3.39Å; C66-I169 HydrophobicContact CB-CG2 4.15Å; D167-I169 PolarHBondContact O-N 3.06Å; I169-T171 PolarHBondContact O-N 3.08Å
170P98.5Very high97.1Very high4 Ų444.2 Ų44.23%0.02623%0.228CC..  trans-53.9137.7175.2-2936.7000112.9C66 R70 V73 Y168 D174 V175C66-P170 WeakPolarHBondContact CB-O 3.4Å; C66-P170 WeakPolarHBondContact O-CD 3.05Å; C66-P170 WeakPolarHBondContact O-CG 3.06Å; C66-P170 PolarHBondContact SG-O 3.09Å; R70-P170 HydrophobicContact CB-CG 3.98Å; V73-P170 HydrophobicContact CG2-CB 4.43Å; V73-P170 HydrophobicContact CG2-CG 4.25Å; Y168-P170 HydrophobicContact CE1-CG 3.97Å; Y168-P170 WeakPolarHBondContact OH-CA 3.48Å; P170-D174 HydrophobicContact CB-CB 3.95Å; P170-V175 HydrophobicContact CB-CG2 4.36Å
171T98Very high96.9Very high62 Ų6250.8 Ų50.838%0.3826%0.256SS..  trans-78164.116764.40000109.6I169 Q173 D174 V175I169-T171 PolarHBondContact O-N 3.08Å; T171-Q173 PolarHBondContact O-N 3.1Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 2.76Å; T171-D174 PolarHBondContact N-OD2 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.36Å; T171-D174 VanDerWaalsContact OG1-CG 3.25Å; T171-D174 PolarHBondContact OG1-N 3.45Å; T171-D174 VanDerWaalsContact OG1-N 3.09Å; T171-D174 PolarHBondContact OG1-OD2 3.07Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 2.66Å
172Q97.5Very high96.9Very high68 Ų6847.1 Ų47.132%0.31824%0.241SC..Hα-helixtrans-58-29.3170.7-61.4-169.223.900111.9I55 Y61 V175 L176I55-Q172 HydrophobicContact CD1-CB 4.19Å; Y61-Q172 HydrophobicContact CD2-CG 4.43Å; Q172-V175 WeakPolarHBondContact O-CB 3.4Å; Q172-V175 PolarHBondContact O-N 2.81Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.38Å; Q172-L176 PolarHBondContact O-N 3.17Å
173Q97.8Very high96.7Very high62 Ų6248.8 Ų48.829%0.2926%0.258SS..Hα-helixtrans-68.5-39.9175.1-168.163.19.200112.4Y155 T171 V175 L176 R177 T328Y155-Q173 HydrophobicContact CE2-CG 4.23Å; Y155-Q173 WeakPolarHBondContact OH-CG 3.33Å; T171-Q173 PolarHBondContact O-N 3.1Å; T171-Q173 VanDerWaalsContact O-N 3.16Å; T171-Q173 PolarHBondContact OG1-N 2.76Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; Q173-L176 PolarHBondContact O-N 3.44Å; Q173-R177 VanDerWaalsContact O-CG 3.25Å; Q173-R177 WeakPolarHBondContact O-CG 3.33Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-R177 VanDerWaalsContact O-N 3.08Å; Q173-T328 PolarHBondContact NE2-O 2.72Å; Q173-T328 PolarHBondContact OE1-O 3.44Å
174D98.3Very high96.5Very high0 Ų049.6 Ų49.60%027%0.267CS..Hα-helixtrans-60.9-47.4171.2-60.2-50.2000109.7V73 Y155 Y156 R162 Y168 P170 T171 L176 R177 T178V73-D174 HydrophobicContact CG2-CB 4.13Å; Y155-D174 VanDerWaalsContact CE1-OD1 3.32Å; Y155-D174 WeakPolarHBondContact CE1-OD1 3.44Å; Y155-D174 PolarHBondContact OH-OD1 2.76Å; Y155-D174 VanDerWaalsContact OH-OD1 3.05Å; Y156-D174 HydrophobicContact CE1-CB 4.29Å; Y156-D174 PolarHBondContact OH-O 2.78Å; R162-D174 IonicContact CZ-OD1 3.6Å; R162-D174 IonicContact CZ-OD2 3.51Å; R162-D174 IonicContact NH1-OD1 2.7Å; R162-D174 IonicContact NH1-OD2 3.5Å; R162-D174 PolarHBondContact NH1-OD2 3.28Å; R162-D174 IonicContact NH2-OD1 2.71Å; R162-D174 PolarHBondContact NH2-OD1 2.96Å; R162-D174 IonicContact NH2-OD2 3.39Å; Y168-D174 PolarHBondContact OH-OD2 3.04Å; P170-D174 HydrophobicContact CB-CB 3.95Å; T171-D174 PolarHBondContact N-OD2 3.31Å; T171-D174 WeakPolarHBondContact O-CB 3.35Å; T171-D174 PolarHBondContact O-N 3.36Å; T171-D174 VanDerWaalsContact OG1-CG 3.25Å; T171-D174 PolarHBondContact OG1-N 3.45Å; T171-D174 VanDerWaalsContact OG1-N 3.09Å; T171-D174 PolarHBondContact OG1-OD2 3.07Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.12Å; D174-R177 CarbonylContact O-C 3.59Å; D174-R177 PolarHBondContact O-N 2.91Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3.29Å
175V98.2Very high96.4Very high0 Ų052.6 Ų52.60%028%0.282CS..Hα-helixtrans-55.7-44.3177.3175.90000111.5K51 Y61 Y69 P170 T171 Q172 Q173 R177 T178K51-V175 HydrophobicContact CD-CG1 4.47Å; K51-V175 PolarHBondContact NZ-O 3.17Å; Y61-V175 HydrophobicContact CD1-CG1 4.22Å; Y61-V175 HydrophobicContact CD2-CG1 4.18Å; Y61-V175 HydrophobicContact CE1-CG1 4.01Å; Y61-V175 HydrophobicContact CE2-CG1 3.99Å; Y61-V175 HydrophobicContact CG-CG1 4.32Å; Y69-V175 HydrophobicContact CD1-CG1 4.18Å; Y69-V175 HydrophobicContact CD2-CB 4.35Å; Y69-V175 HydrophobicContact CD2-CG1 3.79Å; Y69-V175 HydrophobicContact CD2-CG2 3.69Å; Y69-V175 HydrophobicContact CE1-CG1 4.05Å; Y69-V175 HydrophobicContact CE2-CG1 3.65Å; Y69-V175 HydrophobicContact CE2-CG2 4.35Å; Y69-V175 HydrophobicContact CG-CB 4.4Å; Y69-V175 HydrophobicContact CG-CG1 4.06Å; Y69-V175 HydrophobicContact CG-CG2 3.84Å; P170-V175 HydrophobicContact CB-CG2 4.36Å; T171-V175 WeakPolarHBondContact O-CG2 3.4Å; T171-V175 PolarHBondContact O-N 2.66Å; Q172-V175 WeakPolarHBondContact O-CB 3.4Å; Q172-V175 PolarHBondContact O-N 2.81Å; Q173-V175 VanDerWaalsContact C-N 3.35Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; V175-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-OG1 3.31Å
176L98Very high96.4Very high2 Ų251.8 Ų51.81%0.0128%0.282CS..Hα-helixtrans-62.7-34.9176.5-75.4172.8000113.1T48 K51 Q52 I55 Q172 Q173 D174 T328T48-L176 HydrophobicContact CG2-CB 4.49Å; T48-L176 HydrophobicContact CG2-CD2 3.96Å; K51-L176 HydrophobicContact CB-CD2 3.82Å; Q52-L176 HydrophobicContact CG-CD2 3.74Å; I55-L176 HydrophobicContact CD1-CD1 3.78Å; I55-L176 HydrophobicContact CD1-CD2 3.83Å; I55-L176 HydrophobicContact CD1-CG 3.78Å; Q172-L176 VanDerWaalsContact O-CG 3.31Å; Q172-L176 WeakPolarHBondContact O-CG 3.38Å; Q172-L176 PolarHBondContact O-N 3.17Å; Q173-L176 PolarHBondContact O-N 3.44Å; D174-L176 VanDerWaalsContact C-N 3.3Å; D174-L176 PolarHBondContact O-N 3.12Å; L176-T328 HydrophobicContact CB-CG2 4.47Å
177R97.9Very high96.5Very high43 Ų4350.9 Ų50.916%0.16227%0.266CS..Hα-helixtrans-83.5-12.6-179.7-68.1-76.7-178.2-173.50.3113.2S152 Y155 Y156 Q173 D174 V175 D273 T328S152-R177 WeakPolarHBondContact CB-O 3.39Å; S152-R177 PolarHBondContact OG-O 3.25Å; Y155-R177 HydrophobicContact CD1-CB 3.92Å; Y155-R177 HydrophobicContact CD1-CG 3.81Å; Y155-R177 HydrophobicContact CE1-CB 4.02Å; Y155-R177 HydrophobicContact CE1-CG 3.86Å; Y155-R177 HydrophobicContact CG-CG 4.17Å; Y156-R177 HydrophobicContact CE1-CB 4.44Å; Y156-R177 HydrophobicContact CE2-CB 4.45Å; Y156-R177 WeakPolarHBondContact OH-CB 3.39Å; Y156-R177 PolarHBondContact OH-O 3.33Å; Q173-R177 VanDerWaalsContact O-CG 3.25Å; Q173-R177 WeakPolarHBondContact O-CG 3.33Å; Q173-R177 PolarHBondContact O-N 2.95Å; Q173-R177 VanDerWaalsContact O-N 3.08Å; D174-R177 CarbonylContact O-C 3.59Å; D174-R177 PolarHBondContact O-N 2.91Å; V175-R177 VanDerWaalsContact C-N 3.3Å; V175-R177 PolarHBondContact O-N 3.3Å; R177-D273 IonicContact NH2-OD2 4Å; R177-T328 HydrophobicContact CG-CG2 4.47Å; R177-T328 VanDerWaalsContact CZ-OG1 3.28Å; R177-T328 PolarHBondContact NH2-OG1 2.96Å
178T97.9Very high96.5Very high7 Ų746.4 Ų46.44%0.04324%0.244CC..  trans-64.4139.8176.159.80000112.1K51 Y69 V72 V73 N76 Y156 D174 V175K51-T178 PolarHBondContact NZ-O 3.47Å; K51-T178 VanDerWaalsContact NZ-O 3.12Å; K51-T178 PolarHBondContact NZ-OG1 2.99Å; Y69-T178 HydrophobicContact CD1-CG2 4.09Å; V72-T178 HydrophobicContact CB-CG2 4.24Å; V72-T178 HydrophobicContact CG1-CG2 3.97Å; V73-T178 HydrophobicContact CG2-CG2 3.62Å; N76-T178 WeakPolarHBondContact OD1-CA 3.44Å; Y156-T178 WeakPolarHBondContact OH-CA 3.39Å; Y156-T178 WeakPolarHBondContact OH-CG2 3.4Å; Y156-T178 PolarHBondContact OH-N 3.36Å; D174-T178 WeakPolarHBondContact O-CG2 3.4Å; D174-T178 PolarHBondContact O-N 3.29Å; V175-T178 PolarHBondContact O-N 3.2Å; V175-T178 PolarHBondContact O-OG1 3.31Å
179R95.9Very high96.4Very high47 Ų4750.5 Ų50.518%0.17726%0.263CS..  trans-114.5112.8178.2174.857179.1136-1.6109.6E43 N76 K181E43-R179 VanDerWaalsContact CG-NE 3.3Å; E43-R179 IonicContact OE1-CZ 2.68Å; E43-R179 IonicContact OE1-NE 3.72Å; E43-R179 PolarHBondContact OE1-NE 3.42Å; E43-R179 IonicContact OE1-NH2 3.55Å; E43-R179 PolarHBondContact OE1-NH2 2.87Å; N76-R179 PolarHBondContact ND2-O 3.28Å; N76-R179 PolarHBondContact OD1-N 3Å; N76-R179 PolarHBondContact OD1-O 2.92Å; R179-K181 VanDerWaalsContact NH1-CA 3.34Å
180V95.5Very high96.2Very high83 Ų8348.3 Ų48.350%0.50325%0.251SS..  trans-121.2133.7166.2-177.50000107.7V72 T182V72-V180 HydrophobicContact CG1-CG2 3.64Å; V72-V180 HydrophobicContact CG2-CG2 4.47Å; V180-T182 PolarHBondContact O-N 2.63Å; V180-T182 VanDerWaalsContact O-N 3.11Å
181K94.6Very high95.9Very high145 Ų14551.8 Ų51.863%0.6327%0.272SS*.  trans-66.3108.2173.9-71.2-178.3-177.81770109R179 T183R179-K181 VanDerWaalsContact NH1-CA 3.34Å; K181-T183 PolarHBondContact O-N 2.84Å
182T94.5Very high95.6Very high21 Ų2150.8 Ų50.813%0.12926%0.263CS..  trans-62.1124.7173.3-43.30000109.6S47 V180 V186 G203S47-T182 PolarHBondContact OG-OG1 3.03Å; V180-T182 PolarHBondContact O-N 2.63Å; V180-T182 VanDerWaalsContact O-N 3.11Å; T182-V186 HydrophobicContact CG2-CG2 4.32Å; T182-G203 WeakPolarHBondContact O-CA 3.4Å
183T93.7Very high95.1Very high103 Ų10351.4 Ų51.463%0.63226%0.264SS*.  trans-117.8139.3174.461.20000108.6K181 E208K181-T183 PolarHBondContact O-N 2.84Å; T183-E208 WeakPolarHBondContact CA-OE2 3.24Å
184G94Very high94.6Very high18 Ų1854.6 Ų54.619%0.18628%0.284CS..SBendtrans70.5-144.1-177.100000113.7G203 E208G184-G203 PolarHBondContact O-N 3.21Å; G184-E208 PolarHBondContact N-OE2 3.23Å
185I95Very high94.3Very high70 Ų7055.5 Ų55.536%0.35929%0.288SS..EExtended strand (participates in β ladder)trans-125.1127.3-174.9-60157.6000107F200 V202 H214 C215I185-F200 HydrophobicContact CG2-CD1 3.94Å; I185-V202 HydrophobicContact CB-CG1 4.35Å; I185-V202 HydrophobicContact CG1-CG1 3.87Å; I185-V202 HydrophobicContact CG2-CG1 4.2Å; I185-H214 HydrophobicContact CD1-CB 3.96Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I185-C215 VanDerWaalsContact CG2-SG 3.55Å
186V95.3Very high94Very high66 Ų6659.9 Ų59.940%0.431%0.309SS..EExtended strand (participates in β ladder)trans-114.5125.3175.41800000107.9T182 F200 D201T182-V186 HydrophobicContact CG2-CG2 4.32Å; V186-F200 WeakPolarHBondContact O-CA 3.23Å; V186-D201 PolarHBondContact N-O 3.4Å; V186-D201 PolarHBondContact O-N 3.29Å
187E95.8Very high93.9Very high84 Ų8459.9 Ų59.939%0.39331%0.308SS..EExtended strand (participates in β ladder)trans-101.5135.8175.6-172173.117900109.4H189 M199 F200E187-H189 IonicContact OE1-CE1 3.33Å; E187-H189 PolarHBondContact OE1-CE1 2.82Å; E187-H189 IonicContact OE1-NE2 3.93Å; E187-H189 PolarHBondContact OE1-NE2 3.45Å; E187-M199 CarbonylContact C-O 3.57Å; E187-M199 WeakPolarHBondContact CA-O 3.24Å; E187-F200 HydrophobicContact CB-CD1 4.28Å; E187-F200 HydrophobicContact CB-CE1 4.06Å; E187-F200 VanDerWaalsContact CD-CZ 3.4Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.78Å; E187-F200 HydrophobicContact CG-CE2 4.38Å; E187-F200 HydrophobicContact CG-CZ 3.84Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.47Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.47Å
188T95Very high93.8Very high27 Ų2760.5 Ų60.517%0.16631%0.312CS..EExtended strand (participates in β ladder)trans-133.9135.4176.3-58.70000108.7V50 M199V50-T188 HydrophobicContact CG1-CG2 4.04Å; V50-T188 WeakPolarHBondContact CG1-OG1 3.13Å; T188-M199 PolarHBondContact N-O 3.26Å; T188-M199 PolarHBondContact O-N 3.28Å
189H95Very high93.7Very high94 Ų9460.1 Ų60.144%0.43531%0.31SS..EExtended strand (participates in β ladder)trans-110.7145-177.9-57.3-96.8000109.1E187 F197E187-H189 IonicContact OE1-CE1 3.33Å; E187-H189 PolarHBondContact OE1-CE1 2.82Å; E187-H189 IonicContact OE1-NE2 3.93Å; E187-H189 PolarHBondContact OE1-NE2 3.45Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.41Å
190F94.4Very high93.8Very high8 Ų859 Ų594%0.03531%0.306CS..EExtended strand (participates in β ladder)trans-158.9162.1168.356.9-84.7000109.5M53 H57 E58 F192 F197 M199 F337M53-F190 HydrophobicContact CB-CD1 3.87Å; M53-F190 HydrophobicContact CB-CE1 3.77Å; M53-F190 HydrophobicContact CB-CG 4.36Å; M53-F190 HydrophobicContact CB-CZ 4.17Å; M53-F190 HydrophobicContact CG-CD1 4.25Å; M53-F190 HydrophobicContact CG-CE1 3.62Å; M53-F190 HydrophobicContact CG-CE2 4.47Å; M53-F190 HydrophobicContact CG-CZ 3.75Å; M53-F190 HydrophobicContact SD-CE1 4.09Å; M53-F190 HydrophobicContact SD-CE2 3.94Å; M53-F190 HydrophobicContact SD-CZ 3.55Å; M53-F190 VanDerWaalsContact SD-CZ 3.55Å; H57-F190 HydrophobicContact CB-CB 4.19Å; H57-F190 HydrophobicContact CB-CD2 4.17Å; H57-F190 HydrophobicContact CB-CG 4.49Å; H57-F190 AromaticContact CD2-CD2 3.7Å; H57-F190 AromaticContact CD2-CE2 3.86Å; E58-F190 HydrophobicContact CG-CB 4.28Å; F190-F192 HydrophobicContact CD2-CB 4.37Å; F190-F192 HydrophobicContact CE2-CB 4.46Å; F190-F197 HydrophobicContact CD1-CB 4.06Å; F190-F197 HydrophobicContact CD2-CB 3.93Å; F190-F197 HydrophobicContact CD2-CD2 4.09Å; F190-F197 HydrophobicContact CD2-CG 4.21Å; F190-F197 HydrophobicContact CE1-CB 3.71Å; F190-F197 HydrophobicContact CE1-CG 4.46Å; F190-F197 HydrophobicContact CE2-CB 3.57Å; F190-F197 HydrophobicContact CE2-CD1 4.27Å; F190-F197 AromaticContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CE2 4.41Å; F190-F197 AromaticContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CG-CB 4.16Å; F190-F197 HydrophobicContact CZ-CB 3.44Å; F190-F197 VanDerWaalsContact CZ-CB 3.44Å; F190-F197 HydrophobicContact CZ-CD1 4.14Å; F190-F197 HydrophobicContact CZ-CD2 4.28Å; F190-F197 AromaticContact CZ-CG 3.71Å; F190-F197 HydrophobicContact CZ-CG 3.71Å; F190-F197 PolarHBondContact N-O 3.06Å; F190-F197 PolarHBondContact O-N 2.83Å; F190-M199 HydrophobicContact CE1-CB 4Å; F190-M199 HydrophobicContact CE1-CE 3.84Å; F190-M199 HydrophobicContact CE1-SD 4.31Å; F190-M199 HydrophobicContact CZ-CE 3.84Å; F190-F337 AromaticContact CE2-CE1 3.74Å; F190-F337 HydrophobicContact CE2-CE1 3.74Å; F190-F337 AromaticContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CZ-CE1 4.04Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.57Å; F190-F337 HydrophobicContact CZ-CZ 3.57Å
191T91.8Very high93.9Very high77 Ų7755.2 Ų55.247%0.47228%0.284SS..EExtended strand (participates in β ladder)trans-112.7131.5177.5-59.50000110L195 H196T191-L195 WeakPolarHBondContact CA-O 3.3Å; T191-H196 PolarHBondContact OG1-ND1 3.3Å; T191-H196 VanDerWaalsContact OG1-ND1 3.17Å
192F91.1Very high94Very high41 Ų4148.4 Ų48.418%0.1825%0.254CS..EExtended strand (participates in β ladder)trans-149.6133.6178.2178.1-123.4000110.3H57 F190 D194 L195 F197 F337 D338 T341H57-F192 AromaticContact CE1-CD2 3.26Å; H57-F192 WeakPolarHBondContact CE1-CD2 3.41Å; H57-F192 AromaticContact CE1-CE2 3.66Å; H57-F192 AromaticContact CE1-CG 3.55Å; H57-F192 AromaticContact ND1-CD2 3.64Å; F190-F192 HydrophobicContact CD2-CB 4.37Å; F190-F192 HydrophobicContact CE2-CB 4.46Å; F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.45Å; F192-L195 PolarHBondContact N-O 2.79Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.92Å; F192-F197 HydrophobicContact CB-CD2 4.13Å; F192-F197 HydrophobicContact CB-CE2 3.84Å; F192-F197 HydrophobicContact CD1-CE2 4.22Å; F192-F337 HydrophobicContact CD1-CD1 4.19Å; F192-F337 AromaticContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CE1-CD1 4.24Å; F192-F337 HydrophobicContact CE1-CE1 4.45Å; F192-D338 WeakPolarHBondContact CZ-OD1 3.48Å; F192-T341 HydrophobicContact CD1-CG2 3.85Å; F192-T341 HydrophobicContact CE1-CG2 3.81Å; F192-T341 WeakPolarHBondContact CE1-OG1 3.43Å
193K88.6Confident94.1Very high81 Ų8147.4 Ų47.435%0.35225%0.248SC..THydrogen-bonded Turntrans48.946-177.7-70.2178.8161.3174.60113.4L195 D338 T341 D342 I345K193-L195 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact O-N 3.07Å; K193-D338 WeakPolarHBondContact CE-OD1 3.18Å; K193-D338 IonicContact NZ-OD1 3.53Å; K193-D338 PolarHBondContact NZ-OD1 2.93Å; K193-D338 IonicContact NZ-OD2 2.87Å; K193-T341 HydrophobicContact CD-CG2 3.92Å; K193-D342 IonicContact NZ-OD1 3.93Å; K193-D342 PolarHBondContact NZ-OD1 2.85Å; K193-D342 IonicContact NZ-OD2 3.5Å; K193-I345 HydrophobicContact CD-CD1 4.32Å
194D85.9Confident94.1Very high129 Ų12942.6 Ų42.669%0.6922%0.219SC*.THydrogen-bonded Turntrans60.311.3-176.9-57.7-44.6000115.8F192F192-D194 VanDerWaalsContact C-N 3.29Å; F192-D194 PolarHBondContact O-N 3.45Å
195L91.4Very high94.2Very high19 Ų1942.9 Ų42.910%0.09922%0.216CC..EExtended strand (participates in β ladder)trans-101.3143.4173.3-61.4173.6000110.8R32 V34 T191 F192 K193 F197 T341 I345R32-L195 HydrophobicContact CB-CD2 4.37Å; R32-L195 WeakPolarHBondContact O-CA 3.39Å; V34-L195 HydrophobicContact CG2-CB 4.34Å; V34-L195 HydrophobicContact CG2-CD1 4.01Å; V34-L195 HydrophobicContact CG2-CD2 4.37Å; V34-L195 HydrophobicContact CG2-CG 4.49Å; T191-L195 WeakPolarHBondContact CA-O 3.3Å; F192-L195 PolarHBondContact N-O 2.79Å; F192-L195 WeakPolarHBondContact O-CB 3.44Å; F192-L195 PolarHBondContact O-N 2.92Å; K193-L195 PolarHBondContact O-N 2.88Å; K193-L195 VanDerWaalsContact O-N 3.07Å; L195-F197 HydrophobicContact CB-CD2 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.3Å; L195-F197 HydrophobicContact CD1-CE2 4.25Å; L195-F197 HydrophobicContact CD1-CZ 4.1Å; L195-T341 HydrophobicContact CD1-CG2 4.36Å; L195-I345 HydrophobicContact CD1-CD1 3.9Å; L195-I345 HydrophobicContact CD1-CG1 3.57Å
196H92.7Very high94.2Very high92 Ų9243.8 Ų43.843%0.42621%0.214SC..EExtended strand (participates in β ladder)trans-98.5107.9174.6-61.5-61.1000109.3R32 E33 V34 T191R32-H196 PolarHBondContact O-N 3.27Å; E33-H196 WeakPolarHBondContact CA-O 3.4Å; V34-H196 PolarHBondContact N-O 2.75Å; T191-H196 PolarHBondContact OG1-ND1 3.3Å; T191-H196 VanDerWaalsContact OG1-ND1 3.17Å
197F95.1Very high94.2Very high2 Ų244.9 Ų44.91%0.00923%0.225CC..EExtended strand (participates in β ladder)trans-87.8132179.9-72.9-92.9000110.7V34 L36 H189 F190 F192 L195 F337 T341V34-F197 HydrophobicContact CB-CD1 3.79Å; V34-F197 HydrophobicContact CB-CE1 3.86Å; V34-F197 HydrophobicContact CB-CG 4.4Å; V34-F197 HydrophobicContact CB-CZ 4.49Å; V34-F197 HydrophobicContact CG1-CD1 3.71Å; V34-F197 HydrophobicContact CG1-CE1 3.58Å; V34-F197 HydrophobicContact CG2-CE1 4.37Å; V34-F197 CarbonylContact O-C 3.55Å; V34-F197 WeakPolarHBondContact O-CA 3.19Å; L36-F197 HydrophobicContact CD1-CD1 3.48Å; L36-F197 VanDerWaalsContact CD1-CD1 3.48Å; L36-F197 HydrophobicContact CD1-CE1 3.84Å; L36-F197 HydrophobicContact CG-CD1 3.84Å; L36-F197 HydrophobicContact CG-CE1 4.27Å; H189-F197 VanDerWaalsContact CA-O 3.29Å; H189-F197 WeakPolarHBondContact CA-O 3.41Å; F190-F197 HydrophobicContact CD1-CB 4.06Å; F190-F197 HydrophobicContact CD2-CB 3.93Å; F190-F197 HydrophobicContact CD2-CD2 4.09Å; F190-F197 HydrophobicContact CD2-CG 4.21Å; F190-F197 HydrophobicContact CE1-CB 3.71Å; F190-F197 HydrophobicContact CE1-CG 4.46Å; F190-F197 HydrophobicContact CE2-CB 3.57Å; F190-F197 HydrophobicContact CE2-CD1 4.27Å; F190-F197 AromaticContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CD2 3.65Å; F190-F197 HydrophobicContact CE2-CE2 4.41Å; F190-F197 AromaticContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CE2-CG 3.56Å; F190-F197 HydrophobicContact CG-CB 4.16Å; F190-F197 HydrophobicContact CZ-CB 3.44Å; F190-F197 VanDerWaalsContact CZ-CB 3.44Å; F190-F197 HydrophobicContact CZ-CD1 4.14Å; F190-F197 HydrophobicContact CZ-CD2 4.28Å; F190-F197 AromaticContact CZ-CG 3.71Å; F190-F197 HydrophobicContact CZ-CG 3.71Å; F190-F197 PolarHBondContact N-O 3.06Å; F190-F197 PolarHBondContact O-N 2.83Å; F192-F197 HydrophobicContact CB-CD2 4.13Å; F192-F197 HydrophobicContact CB-CE2 3.84Å; F192-F197 HydrophobicContact CD1-CE2 4.22Å; L195-F197 HydrophobicContact CB-CD2 4.21Å; L195-F197 HydrophobicContact CB-CE2 3.7Å; L195-F197 HydrophobicContact CB-CZ 4.3Å; L195-F197 HydrophobicContact CD1-CE2 4.25Å; L195-F197 HydrophobicContact CD1-CZ 4.1Å; F197-F337 HydrophobicContact CD1-CZ 4.2Å; F197-F337 HydrophobicContact CE1-CE1 4.43Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.39Å; F197-T341 HydrophobicContact CZ-CG2 3.93Å
198K95.8Very high94.2Very high56 Ų5641.9 Ų41.924%0.24321%0.211CC..EExtended strand (participates in β ladder)trans-111.6102.3164.5-63.6-175.1174.3161.90108.3E33 V34 K35 L36 F200E33-K198 HydrophobicContact CG-CD 4.25Å; E33-K198 HydrophobicContact CG-CG 4.41Å; E33-K198 WeakPolarHBondContact OE1-CE 3.4Å; E33-K198 IonicContact OE1-NZ 2.73Å; E33-K198 PolarHBondContact OE1-NZ 3.04Å; E33-K198 WeakPolarHBondContact OE2-CE 3.25Å; E33-K198 IonicContact OE2-NZ 2.96Å; E33-K198 PolarHBondContact OE2-NZ 2.97Å; V34-K198 PolarHBondContact O-N 3.09Å; K35-K198 WeakPolarHBondContact CA-O 3.32Å; L36-K198 PolarHBondContact N-O 3.39Å; K198-F200 HydrophobicContact CB-CE2 3.74Å; K198-F200 HydrophobicContact CB-CZ 4.42Å; K198-F200 WeakPolarHBondContact O-CD2 3.28Å
199M96.8Very high94.2Very high0 Ų043 Ų430%021%0.212CC..EExtended strand (participates in β ladder)trans-97.9123-178.5-175.9173.8-75.300110.4L36 L38 V50 M53 E187 T188 F190 F337L36-M199 HydrophobicContact CB-CB 4.46Å; L36-M199 HydrophobicContact CB-CE 4.5Å; L36-M199 HydrophobicContact CB-CG 4.44Å; L36-M199 HydrophobicContact CD1-CE 3.67Å; L36-M199 CarbonylContact O-C 3.6Å; L36-M199 WeakPolarHBondContact O-CA 3.42Å; L38-M199 HydrophobicContact CD1-CG 3.72Å; L38-M199 HydrophobicContact CD1-SD 3.6Å; L38-M199 VanDerWaalsContact CD1-SD 3.6Å; L38-M199 HydrophobicContact CG-CG 4.09Å; L38-M199 HydrophobicContact CG-SD 4.27Å; V50-M199 HydrophobicContact CG2-CG 4.38Å; V50-M199 HydrophobicContact CG2-SD 3.91Å; M53-M199 HydrophobicContact CG-CE 3.61Å; M53-M199 HydrophobicContact CG-SD 3.76Å; M53-M199 HydrophobicContact SD-CE 3.98Å; E187-M199 CarbonylContact C-O 3.57Å; E187-M199 WeakPolarHBondContact CA-O 3.24Å; T188-M199 PolarHBondContact N-O 3.26Å; T188-M199 PolarHBondContact O-N 3.28Å; F190-M199 HydrophobicContact CE1-CB 4Å; F190-M199 HydrophobicContact CE1-CE 3.84Å; F190-M199 HydrophobicContact CE1-SD 4.31Å; F190-M199 HydrophobicContact CZ-CE 3.84Å; M199-F337 HydrophobicContact CE-CE2 3.9Å; M199-F337 HydrophobicContact CE-CZ 4.37Å
200F97.6Very high94.1Very high22 Ų2247.3 Ų47.310%0.09623%0.23CC..EExtended strand (participates in β ladder)trans-106.6111.3180-67.5-94.8000109.8K35 L36 L37 L38 I185 V186 E187 K198K35-F200 HydrophobicContact CD-CD2 4.28Å; K35-F200 HydrophobicContact CD-CE2 3.83Å; K35-F200 HydrophobicContact CG-CD2 3.88Å; K35-F200 HydrophobicContact CG-CE2 3.69Å; L36-F200 PolarHBondContact O-N 3.16Å; L37-F200 HydrophobicContact CD1-CB 3.81Å; L38-F200 PolarHBondContact N-O 3.28Å; I185-F200 HydrophobicContact CG2-CD1 3.94Å; V186-F200 WeakPolarHBondContact O-CA 3.23Å; E187-F200 HydrophobicContact CB-CD1 4.28Å; E187-F200 HydrophobicContact CB-CE1 4.06Å; E187-F200 VanDerWaalsContact CD-CZ 3.4Å; E187-F200 HydrophobicContact CG-CD1 4.28Å; E187-F200 HydrophobicContact CG-CE1 3.78Å; E187-F200 HydrophobicContact CG-CE2 4.38Å; E187-F200 HydrophobicContact CG-CZ 3.84Å; E187-F200 WeakPolarHBondContact OE1-CZ 3.47Å; E187-F200 WeakPolarHBondContact OE2-CE1 3.47Å; K198-F200 HydrophobicContact CB-CE2 3.74Å; K198-F200 HydrophobicContact CB-CZ 4.42Å; K198-F200 WeakPolarHBondContact O-CD2 3.28Å
201D97.5Very high94.2Very high5 Ų550.5 Ų50.53%0.02724%0.243CC..EExtended strand (participates in β ladder)trans-97.8131170-178.333.3000110.4L38 K46 S47 V50 V186L38-D201 HydrophobicContact CD1-CB 4.2Å; K46-D201 VanDerWaalsContact CB-OD1 3.23Å; K46-D201 WeakPolarHBondContact CB-OD1 3.49Å; S47-D201 WeakPolarHBondContact CA-OD2 3.34Å; S47-D201 VanDerWaalsContact CB-OD2 3.29Å; S47-D201 WeakPolarHBondContact CB-OD2 3.43Å; S47-D201 PolarHBondContact OG-OD2 3.17Å; V50-D201 HydrophobicContact CG2-CB 3.63Å; V186-D201 PolarHBondContact N-O 3.4Å; V186-D201 PolarHBondContact O-N 3.29Å
202V97.1Very high94.4Very high1 Ų147.3 Ų47.31%0.00622%0.223CC..EExtended strand (participates in β ladder)trans-125.8147.5-175.7-60.90000110.8L37 L38 L39 K46 I185 G204 W212L37-V202 HydrophobicContact CD1-CG1 4.41Å; L38-V202 WeakPolarHBondContact O-CG2 3.45Å; L39-V202 HydrophobicContact CD2-CG2 3.68Å; K46-V202 WeakPolarHBondContact CE-O 3.36Å; I185-V202 HydrophobicContact CB-CG1 4.35Å; I185-V202 HydrophobicContact CG1-CG1 3.87Å; I185-V202 HydrophobicContact CG2-CG1 4.2Å; V202-G204 PolarHBondContact O-N 3.21Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.22Å; V202-W212 HydrophobicContact CG2-CG 4.07Å; V202-W212 HydrophobicContact CG2-CZ2 4.34Å; V202-W212 VanDerWaalsContact CG2-NE1 3.28Å
203G96.2Very high94.5Very high1 Ų149.2 Ų49.21%0.0123%0.234CC..  trans-53.8128.1174.300000111.9T182 G184 E208 W212T182-G203 WeakPolarHBondContact O-CA 3.4Å; G184-G203 PolarHBondContact O-N 3.21Å; G203-E208 WeakPolarHBondContact O-CB 3.23Å; G203-W212 PolarHBondContact O-NE1 3.14Å
204G94.9Very high94.7Very high1 Ų152.3 Ų52.31%0.0125%0.249CC..  trans-89.8-17.2-175.600000115.1G40 G42 V202 R209G40-G204 WeakPolarHBondContact O-CA 3.29Å; G42-G204 VanDerWaalsContact N-C 3.35Å; G42-G204 PolarHBondContact N-O 2.97Å; V202-G204 PolarHBondContact O-N 3.21Å; G204-R209 PolarHBondContact O-NE 3.3Å; G204-R209 VanDerWaalsContact O-NE 3.1Å
205Q95.3Very high95.1Very high25 Ų2546.3 Ų46.312%0.11722%0.217CC..SBendtrans-65.3151.1-178.9-62.186.7-21.200110.3S207 E208 R209 E237Q205-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact O-N 3.1Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 2.97Å; Q205-R209 WeakPolarHBondContact O-CG 3.41Å; Q205-R209 PolarHBondContact O-N 3.03Å; Q205-E237 WeakPolarHBondContact CA-OE1 3.47Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.29Å
206R95Very high95.3Very high89 Ų8946.2 Ų46.234%0.33622%0.216SC..THydrogen-bonded Turntrans-53.7-36.4-176-76.4-176.8170.2173.5-0113E208 E237 D238 E246R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3Å; R206-E237 PolarHBondContact N-OE1 3.18Å; R206-D238 IonicContact CZ-OD2 2.61Å; R206-D238 IonicContact NH1-OD2 3.57Å; R206-D238 PolarHBondContact NH1-OD2 2.82Å; R206-D238 IonicContact NH2-OD2 3.96Å; R206-D238 PolarHBondContact NH2-OD2 3.05Å; R206-E246 IonicContact CZ-OE1 3.64Å; R206-E246 IonicContact CZ-OE2 3.88Å; R206-E246 IonicContact NE-OE1 3.83Å; R206-E246 PolarHBondContact NE-OE1 2.88Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 2.75Å; R206-E246 IonicContact NH2-OE2 3.04Å; R206-E246 PolarHBondContact NH2-OE2 3.37Å
207S94.6Very high95.2Very high89 Ų8949.2 Ų49.262%0.62223%0.23SC*.THydrogen-bonded Turntrans-64.3-28.217862.10000113.9Q205Q205-S207 PolarHBondContact O-N 2.91Å; Q205-S207 VanDerWaalsContact O-N 3.1Å
208E96.1Very high95Very high20 Ų2052 Ų529%0.09326%0.26CS..THydrogen-bonded Turntrans-91.1-20.7-173.4-61-56.7102.300112.8T183 G184 G203 Q205 R206 K210 K211T183-E208 WeakPolarHBondContact CA-OE2 3.24Å; G184-E208 PolarHBondContact N-OE2 3.23Å; G203-E208 WeakPolarHBondContact O-CB 3.23Å; Q205-E208 HydrophobicContact CB-CG 4.45Å; Q205-E208 PolarHBondContact O-N 2.97Å; R206-E208 VanDerWaalsContact C-N 3.27Å; R206-E208 PolarHBondContact O-N 3Å; E208-K210 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact O-N 3.14Å; E208-K211 VanDerWaalsContact O-CB 3.3Å; E208-K211 WeakPolarHBondContact O-CB 3.19Å; E208-K211 PolarHBondContact O-N 3.42Å; E208-K211 IonicContact OE1-NZ 2.72Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-K211 IonicContact OE2-NZ 2.75Å; E208-K211 PolarHBondContact OE2-NZ 2.81Å
209R95.3Very high94.9Very high52 Ų5250 Ų5020%0.19625%0.252CS..G310 helixtrans-63.7-25.8-170.6-53.9-169-165.2154.12114.8G204 Q205 K211 W212 E246G204-R209 PolarHBondContact O-NE 3.3Å; G204-R209 VanDerWaalsContact O-NE 3.1Å; Q205-R209 WeakPolarHBondContact O-CG 3.41Å; Q205-R209 PolarHBondContact O-N 3.03Å; R209-K211 PolarHBondContact O-N 3.24Å; R209-W212 HydrophobicContact CB-CD2 4.2Å; R209-W212 HydrophobicContact CB-CZ2 4.46Å; R209-W212 HydrophobicContact CG-CD2 4.49Å; R209-W212 HydrophobicContact CG-CH2 4.36Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.25Å; R209-W212 VanDerWaalsContact O-CG 3.26Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.15Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.13Å; R209-E246 PolarHBondContact NH1-OE1 3.4Å; R209-E246 IonicContact NH2-OE1 2.7Å; R209-E246 PolarHBondContact NH2-OE1 2.77Å
210K94.2Very high94.7Very high184 Ų18451.5 Ų51.580%0.826%0.262SS*.G310 helixtrans-61-26.4174.2-68.2-177.8-179.7177.50112.2E208 W212 I213E208-K210 PolarHBondContact O-N 3.08Å; E208-K210 VanDerWaalsContact O-N 3.14Å; K210-W212 VanDerWaalsContact C-N 3.3Å; K210-I213 WeakPolarHBondContact O-CG2 3.28Å
211K95.5Very high94.6Very high75 Ų7550.5 Ų50.533%0.32626%0.257SS..G310 helixtrans-77.5-16-179.5-56.1175.2-174.4167.90112.6E208 R209 I213 H214E208-K211 VanDerWaalsContact O-CB 3.3Å; E208-K211 WeakPolarHBondContact O-CB 3.19Å; E208-K211 PolarHBondContact O-N 3.42Å; E208-K211 IonicContact OE1-NZ 2.72Å; E208-K211 PolarHBondContact OE1-NZ 3.02Å; E208-K211 IonicContact OE2-NZ 2.75Å; E208-K211 PolarHBondContact OE2-NZ 2.81Å; R209-K211 PolarHBondContact O-N 3.24Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.9Å; K211-H214 WeakPolarHBondContact O-CB 3.38Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 3.39Å
212W96Very high94.6Very high10 Ų1050.2 Ų50.24%0.03826%0.256CS..G310 helixtrans-61.6-34.3-174.3-66.84.5000113.3L39 V202 G203 R209 K210 H214 C215 F216 L250 I254L39-W212 HydrophobicContact CB-CH2 4.4Å; L39-W212 HydrophobicContact CB-CZ3 4.27Å; L39-W212 HydrophobicContact CD1-CE3 4.49Å; L39-W212 HydrophobicContact CD1-CZ3 4.49Å; L39-W212 HydrophobicContact CD2-CD2 3.82Å; L39-W212 HydrophobicContact CD2-CE3 3.7Å; L39-W212 HydrophobicContact CD2-CG 4.3Å; L39-W212 HydrophobicContact CD2-CH2 4.31Å; L39-W212 HydrophobicContact CD2-CZ2 4.45Å; L39-W212 HydrophobicContact CD2-CZ3 3.93Å; L39-W212 HydrophobicContact CG-CZ3 4.46Å; V202-W212 VanDerWaalsContact CG2-CD1 3.48Å; V202-W212 HydrophobicContact CG2-CD2 4.22Å; V202-W212 HydrophobicContact CG2-CG 4.07Å; V202-W212 HydrophobicContact CG2-CZ2 4.34Å; V202-W212 VanDerWaalsContact CG2-NE1 3.28Å; G203-W212 PolarHBondContact O-NE1 3.14Å; R209-W212 HydrophobicContact CB-CD2 4.2Å; R209-W212 HydrophobicContact CB-CZ2 4.46Å; R209-W212 HydrophobicContact CG-CD2 4.49Å; R209-W212 HydrophobicContact CG-CH2 4.36Å; R209-W212 HydrophobicContact CG-CZ2 3.87Å; R209-W212 VanDerWaalsContact O-CB 3.31Å; R209-W212 WeakPolarHBondContact O-CB 3.25Å; R209-W212 VanDerWaalsContact O-CG 3.26Å; R209-W212 PolarHBondContact O-N 2.89Å; R209-W212 VanDerWaalsContact O-N 3.15Å; K210-W212 VanDerWaalsContact C-N 3.3Å; W212-H214 PolarHBondContact O-N 2.74Å; W212-C215 PolarHBondContact O-N 3.36Å; W212-F216 HydrophobicContact CB-CE1 3.79Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.38Å; W212-L250 HydrophobicContact CH2-CD1 4.35Å; W212-L250 HydrophobicContact CH2-CD2 3.34Å; W212-L250 HydrophobicContact CH2-CG 4.43Å; W212-L250 HydrophobicContact CZ3-CD2 3.32Å; W212-I254 HydrophobicContact CE3-CD1 4.2Å; W212-I254 HydrophobicContact CZ3-CD1 4.08Å; W212-I254 HydrophobicContact CZ3-CG1 4.35Å
213I92.8Very high94.6Very high80 Ų8050.2 Ų50.241%0.4126%0.256SS..G310 helixtrans-55.8-27.4179.8-168.660000112.6K210 K211 C215 F216 W259K210-I213 WeakPolarHBondContact O-CG2 3.28Å; K211-I213 VanDerWaalsContact C-N 3.26Å; K211-I213 PolarHBondContact O-N 2.9Å; I213-C215 PolarHBondContact O-N 3.37Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.58Å; I213-F216 HydrophobicContact CD1-CE2 4.16Å; I213-F216 HydrophobicContact CD1-CG 4.11Å; I213-F216 PolarHBondContact O-N 3.06Å; I213-W259 HydrophobicContact CD1-CZ2 4.48Å
214H93.4Very high94.7Very high146 Ų14650.1 Ų50.168%0.67626%0.255SS*.G310 helixtrans-68.5-11.9177.7-59.2-59.9000113.7I185 K211 W212I185-H214 HydrophobicContact CD1-CB 3.96Å; K211-H214 WeakPolarHBondContact O-CB 3.38Å; K211-H214 PolarHBondContact O-CD2 2.92Å; K211-H214 PolarHBondContact O-N 3.39Å; W212-H214 PolarHBondContact O-N 2.74Å
215C94.9Very high94.9Very high3 Ų350.1 Ų50.12%0.0226%0.255CS..G310 helixtrans-107.2-2.2178.7-58.20000113.7K35 L37 I185 W212 I213 E217 V219K35-C215 VanDerWaalsContact CE-O 3.3Å; K35-C215 WeakPolarHBondContact CE-O 3.4Å; K35-C215 PolarHBondContact NZ-O 3.42Å; L37-C215 HydrophobicContact CD1-CB 3.61Å; L37-C215 HydrophobicContact CD2-CB 4.32Å; I185-C215 VanDerWaalsContact CD1-SG 3.55Å; I185-C215 VanDerWaalsContact CG2-SG 3.55Å; W212-C215 PolarHBondContact O-N 3.36Å; I213-C215 PolarHBondContact O-N 3.37Å; C215-E217 PolarHBondContact O-N 2.71Å; C215-V219 WeakPolarHBondContact O-CG2 3.47Å
216F94.2Very high95.1Very high17 Ų1748.9 Ų48.98%0.07525%0.249CC..  trans-77.2-18.5-166.8-78.217.3000114.5L37 L39 W212 I213 I254 W259 F260L37-F216 HydrophobicContact CD2-CD1 3.81Å; L37-F216 HydrophobicContact CD2-CE1 3.95Å; L39-F216 HydrophobicContact CD1-CE1 4.5Å; W212-F216 HydrophobicContact CB-CE1 3.79Å; W212-F216 HydrophobicContact CB-CZ 4.16Å; W212-F216 WeakPolarHBondContact O-CD1 3.45Å; W212-F216 VanDerWaalsContact O-CE1 3.24Å; W212-F216 WeakPolarHBondContact O-CE1 3.38Å; I213-F216 HydrophobicContact CD1-CB 4.35Å; I213-F216 HydrophobicContact CD1-CD2 3.58Å; I213-F216 HydrophobicContact CD1-CE2 4.16Å; I213-F216 HydrophobicContact CD1-CG 4.11Å; I213-F216 PolarHBondContact O-N 3.06Å; F216-I254 HydrophobicContact CZ-CD1 4.21Å; F216-W259 HydrophobicContact CB-CB 4.47Å; F216-W259 HydrophobicContact CB-CD2 4.33Å; F216-W259 HydrophobicContact CB-CE3 4.34Å; F216-W259 HydrophobicContact CB-CG 4.4Å; F216-W259 HydrophobicContact CD2-CB 3.94Å; F216-W259 AromaticContact CD2-CG 3.9Å; F216-W259 HydrophobicContact CD2-CG 3.9Å; F216-F260 HydrophobicContact CB-CE1 4.13Å; F216-F260 HydrophobicContact CB-CZ 4.18Å; F216-F260 HydrophobicContact CD1-CE1 4.11Å; F216-F260 HydrophobicContact CD1-CE2 4.31Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.16Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.53Å; F216-F260 HydrophobicContact CD2-CZ 3.53Å; F216-F260 AromaticContact CE1-CE2 3.98Å; F216-F260 HydrophobicContact CE1-CE2 3.98Å; F216-F260 AromaticContact CE1-CZ 3.45Å; F216-F260 HydrophobicContact CE1-CZ 3.45Å; F216-F260 VanDerWaalsContact CE1-CZ 3.45Å; F216-F260 AromaticContact CE2-CE2 3.62Å; F216-F260 HydrophobicContact CE2-CE2 3.62Å; F216-F260 AromaticContact CE2-CZ 3.6Å; F216-F260 HydrophobicContact CE2-CZ 3.6Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.43Å; F216-F260 HydrophobicContact CG-CZ 3.43Å; F216-F260 VanDerWaalsContact CG-CZ 3.43Å; F216-F260 AromaticContact CZ-CE2 3.62Å; F216-F260 HydrophobicContact CZ-CE2 3.62Å; F216-F260 AromaticContact CZ-CZ 3.56Å; F216-F260 HydrophobicContact CZ-CZ 3.56Å
217E92.2Very high95.2Very high155 Ų15545.2 Ų45.272%0.72424%0.237SC*.THydrogen-bonded Turntrans-73.4137.2177.7-173.8172.9-165.900111.7K35 C215 V219K35-E217 PolarHBondContact NZ-O 2.96Å; C215-E217 PolarHBondContact O-N 2.71Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.87Å
218G90.3Very high95.4Very high62 Ų6241 Ų4164%0.63921%0.208SC*.THydrogen-bonded Turntrans64.124.5171.900000115.2K35 T220K35-G218 WeakPolarHBondContact CB-O 3.27Å; K35-G218 WeakPolarHBondContact CD-O 3.37Å; G218-T220 PolarHBondContact O-N 3.26Å
219V94.3Very high95.5Very high13 Ų1340 Ų408%0.07920%0.204CC..  trans-74.5120.1178.5-179.70000110.2K35 L37 C215 E217 A221 I222 F260 T263K35-V219 HydrophobicContact CD-CG2 4.41Å; L37-V219 HydrophobicContact CB-CG1 3.82Å; L37-V219 HydrophobicContact CB-CG2 4.18Å; L37-V219 HydrophobicContact CD2-CG2 4Å; C215-V219 WeakPolarHBondContact O-CG2 3.47Å; E217-V219 VanDerWaalsContact C-N 3.27Å; E217-V219 PolarHBondContact O-N 2.87Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; V219-I222 HydrophobicContact CG1-CG1 3.94Å; V219-F260 HydrophobicContact CG2-CE1 4.31Å; V219-T263 HydrophobicContact CB-CG2 4.23Å; V219-T263 HydrophobicContact CG1-CG2 3.76Å; V219-T263 WeakPolarHBondContact O-CG2 3.45Å; V219-T263 PolarHBondContact O-OG1 2.93Å
220T92.5Very high95.6Very high32 Ų3238 Ų3820%0.19620%0.198CC..SBendtrans-73.4-47.9175.2-45.90000110.8V34 K35 G218 I344 N348V34-T220 HydrophobicContact CG1-CG2 4.01Å; K35-T220 PolarHBondContact N-OG1 3.17Å; K35-T220 WeakPolarHBondContact O-CB 3Å; K35-T220 PolarHBondContact O-N 3.27Å; G218-T220 PolarHBondContact O-N 3.26Å; T220-I344 HydrophobicContact CG2-CG2 3.95Å; T220-N348 WeakPolarHBondContact CG2-OD1 3.36Å
221A94.8Very high95.8Very high0 Ų029.2 Ų29.20%016%0.159CC..EExtended strand (participates in β ladder)trans-148.4149.3177.700000112.7K35 L36 L37 V219 S264 I266 I344K35-A221 PolarHBondContact O-N 3.03Å; L36-A221 WeakPolarHBondContact CA-O 3.48Å; L36-A221 HydrophobicContact CD2-CB 3.83Å; L37-A221 PolarHBondContact N-O 2.73Å; V219-A221 WeakPolarHBondContact CG1-O 3.41Å; A221-S264 CarbonylContact C-O 3.42Å; A221-S264 VanDerWaalsContact CA-O 3.3Å; A221-S264 WeakPolarHBondContact CA-O 3.32Å; A221-I266 HydrophobicContact CB-CD1 3.77Å; A221-I344 HydrophobicContact CB-CD1 3.92Å; A221-I344 HydrophobicContact CB-CG1 3.97Å
222I96.8Very high95.9Very high0 Ų026.3 Ų26.30%015%0.147CC..EExtended strand (participates in β ladder)trans-104.2130.5173.1-64.2170.6000108.5L37 L39 V219 F224 I254 F260 T263 S264 I265 I266L37-I222 HydrophobicContact CB-CG1 4.44Å; L37-I222 WeakPolarHBondContact O-CA 3.3Å; L39-I222 HydrophobicContact CB-CG2 4.33Å; L39-I222 HydrophobicContact CD1-CD1 4.37Å; L39-I222 HydrophobicContact CD1-CG2 3.97Å; L39-I222 HydrophobicContact CG-CG2 4.21Å; V219-I222 HydrophobicContact CG1-CG1 3.94Å; I222-F224 HydrophobicContact CG2-CB 4.44Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.37Å; I222-F260 HydrophobicContact CD1-CB 4.01Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.42Å; I222-F260 VanDerWaalsContact CD1-CD2 3.42Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.39Å; I222-F260 HydrophobicContact CD1-CZ 3.67Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.91Å; I222-S264 PolarHBondContact N-O 2.87Å; I222-I265 HydrophobicContact CB-CG1 4.41Å; I222-I266 PolarHBondContact O-N 2.94Å
223I97.7Very high96Very high0 Ų026.8 Ų26.80%015%0.151CC..EExtended strand (participates in β ladder)trans-103.6109.6164.4-64.5170.3000106.8L36 L37 L38 L39 I266 F268 F337L36-I223 HydrophobicContact CD1-CD1 4.23Å; L37-I223 PolarHBondContact O-N 2.75Å; L38-I223 WeakPolarHBondContact CA-O 3.47Å; L38-I223 HydrophobicContact CD2-CB 3.63Å; L38-I223 HydrophobicContact CD2-CD1 4.2Å; L38-I223 HydrophobicContact CD2-CG1 4.5Å; L38-I223 HydrophobicContact CD2-CG2 3.66Å; L39-I223 PolarHBondContact N-O 3.19Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.17Å; I223-I266 HydrophobicContact CG1-CB 4.25Å; I223-I266 HydrophobicContact CG1-CD1 4.25Å; I223-F268 HydrophobicContact CD1-CZ 4.38Å; I223-F268 HydrophobicContact CG2-CB 4.43Å; I223-F268 HydrophobicContact CG2-CD1 4.15Å; I223-F268 HydrophobicContact CG2-CD2 3.49Å; I223-F268 VanDerWaalsContact CG2-CD2 3.49Å; I223-F268 HydrophobicContact CG2-CE1 4.28Å; I223-F268 HydrophobicContact CG2-CE2 3.62Å; I223-F268 HydrophobicContact CG2-CG 3.76Å; I223-F268 HydrophobicContact CG2-CZ 4.02Å; I223-F337 HydrophobicContact CD1-CE2 4.32Å
224F98.5Very high96.2Very high0 Ų025.4 Ų25.40%015%0.146CC..EExtended strand (participates in β ladder)trans-96.4112.1177-166.1-83.1000110L39 I222 V226 L250 F251 I254 I266 L267 F268L39-F224 HydrophobicContact CB-CD2 3.82Å; L39-F224 HydrophobicContact CB-CE2 4.29Å; L39-F224 CarbonylContact O-C 3.59Å; L39-F224 WeakPolarHBondContact O-CA 3.17Å; I222-F224 HydrophobicContact CG2-CB 4.44Å; F224-V226 HydrophobicContact CD1-CG2 3.82Å; F224-V226 HydrophobicContact CE1-CG2 3.83Å; F224-L250 HydrophobicContact CE2-CD2 3.91Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 4.11Å; F224-F251 HydrophobicContact CB-CD2 4.05Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.3Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.32Å; F224-F251 HydrophobicContact CD1-CG 4.32Å; F224-F251 AromaticContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CE1-CB 3.75Å; F224-F251 AromaticContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CG 4.27Å; F224-F251 HydrophobicContact CE2-CB 4.32Å; F224-F251 HydrophobicContact CE2-CD2 4.26Å; F224-F251 AromaticContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CE2 4.15Å; F224-F251 HydrophobicContact CZ-CB 3.76Å; F224-F251 HydrophobicContact CZ-CD2 4.23Å; F224-I254 HydrophobicContact CD2-CB 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.37Å; F224-I254 HydrophobicContact CD2-CG2 4.33Å; F224-I254 HydrophobicContact CE2-CB 4.35Å; F224-I254 HydrophobicContact CE2-CG1 4.02Å; F224-I266 PolarHBondContact N-O 3.06Å; F224-L267 HydrophobicContact CD1-CD1 4.09Å; F224-F268 PolarHBondContact O-N 3.46Å
225C98.6Very high96.3Very high0 Ų018.8 Ų18.80%012%0.116CC..EExtended strand (participates in β ladder)trans-91.8128.7-179.7-60.90000111.6L39 S44 K46L39-C225 PolarHBondContact O-N 3.27Å; S44-C225 WeakPolarHBondContact CB-O 3.45Å; S44-C225 WeakPolarHBondContact OG-CB 3.34Å; S44-C225 PolarHBondContact OG-O 3.39Å; S44-C225 VanDerWaalsContact OG-O 3.09Å; K46-C225 HydrophobicContact CG-CB 3.96Å
226V98.8Very high96.2Very high0 Ų021.4 Ų21.40%014%0.137CC..EExtended strand (participates in β ladder)trans-116.3133174-1800000108.6F224 L228 M244 L267 F268 L269 N270 F308F224-V226 HydrophobicContact CD1-CG2 3.82Å; F224-V226 HydrophobicContact CE1-CG2 3.83Å; V226-L228 PolarHBondContact O-N 3.32Å; V226-M244 HydrophobicContact CG1-CE 4.18Å; V226-M244 HydrophobicContact CG1-SD 3.87Å; V226-L267 HydrophobicContact CG2-CD1 3.65Å; V226-F268 PolarHBondContact N-O 3.16Å; V226-L269 HydrophobicContact CB-CD2 3.99Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.23Å; V226-N270 WeakPolarHBondContact O-CA 3.38Å; V226-N270 WeakPolarHBondContact O-CB 3.15Å; V226-N270 PolarHBondContact O-N 2.97Å; V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.31Å; V226-F308 HydrophobicContact CG1-CE2 3.81Å; V226-F308 HydrophobicContact CG1-CZ 3.55Å; V226-F308 HydrophobicContact CG2-CD1 4.09Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.3Å; V226-F308 HydrophobicContact CG2-CZ 3.66Å
227A98.5Very high96.2Very high11 Ų1124.8 Ų24.89%0.09115%0.153CC..EExtended strand (participates in β ladder)trans-85.3106.2168.700000109.5S229 A230 M244 K271A227-S229 VanDerWaalsContact C-N 3.27Å; A227-S229 PolarHBondContact O-N 2.86Å; A227-A230 HydrophobicContact CB-CB 3.85Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.41Å; A227-M244 WeakPolarHBondContact O-CE 3.4Å; A227-K271 HydrophobicContact CB-CD 3.93Å
228L98.7Very high96.3Very high0 Ų019.7 Ų19.70%013%0.131CC..G310 helixtrans-57.5-43.8175.8-76.9176.3000111.4V226 A230 Y231 L269 N270 K272 F275 I304 F324V226-L228 PolarHBondContact O-N 3.32Å; L228-A230 PolarHBondContact O-N 3.12Å; L228-Y231 WeakPolarHBondContact O-CD1 3.45Å; L228-Y231 PolarHBondContact O-N 2.63Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 4.25Å; L228-L269 HydrophobicContact CG-CB 3.94Å; L228-N270 WeakPolarHBondContact CB-O 3.46Å; L228-N270 PolarHBondContact N-O 2.98Å; L228-K272 HydrophobicContact CD1-CB 4.22Å; L228-F275 HydrophobicContact CB-CB 3.65Å; L228-F275 HydrophobicContact CB-CD1 4.38Å; L228-F275 HydrophobicContact CB-CD2 4.01Å; L228-F275 HydrophobicContact CB-CG 3.75Å; L228-F275 HydrophobicContact CD1-CD1 4.35Å; L228-F275 HydrophobicContact CD1-CG 4.49Å; L228-F275 WeakPolarHBondContact O-CD2 3.38Å; L228-I304 HydrophobicContact CD2-CB 4.14Å; L228-I304 HydrophobicContact CD2-CD1 3.97Å; L228-I304 HydrophobicContact CD2-CG2 3.7Å; L228-F324 HydrophobicContact CD1-CD1 3.8Å; L228-F324 HydrophobicContact CD1-CE1 4.06Å
229S97.9Very high96.3Very high1 Ų124.6 Ų24.61%0.00714%0.137CC..G310 helixtrans-65.2-4.6-179.465.20000115A227 K271 K278A227-S229 VanDerWaalsContact C-N 3.27Å; A227-S229 PolarHBondContact O-N 2.86Å; S229-K271 WeakPolarHBondContact OG-CD 3.28Å; S229-K278 PolarHBondContact O-NZ 3.34Å
230A97.9Very high96.3Very high8 Ų832.9 Ų32.97%0.06618%0.175CC..G310 helixtrans-91.54.2-17700000114.3A227 L228 D232 L233 R243A227-A230 HydrophobicContact CB-CB 3.85Å; A227-A230 WeakPolarHBondContact O-CB 3.48Å; A227-A230 PolarHBondContact O-N 3.41Å; L228-A230 PolarHBondContact O-N 3.12Å; A230-D232 PolarHBondContact O-N 3.25Å; A230-L233 HydrophobicContact CB-CD1 4.32Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-L233 VanDerWaalsContact O-N 3.15Å; A230-R243 HydrophobicContact CB-CB 3.93Å
231Y98.2Very high96.5Very high0 Ų032.4 Ų32.40%017%0.171CC..THydrogen-bonded Turntrans-60-28-177.571.3-85.8000114.1L228 N242 F275 K278 I279 S282 L284 C287L228-Y231 WeakPolarHBondContact O-CD1 3.45Å; L228-Y231 PolarHBondContact O-N 2.63Å; Y231-N242 PolarHBondContact O-ND2 3.49Å; Y231-F275 AromaticContact CD1-CD2 3.69Å; Y231-F275 HydrophobicContact CD1-CD2 3.69Å; Y231-F275 AromaticContact CD1-CE2 3.63Å; Y231-F275 HydrophobicContact CD1-CE2 3.63Å; Y231-F275 AromaticContact CE1-CD2 3.57Å; Y231-F275 HydrophobicContact CE1-CD2 3.57Å; Y231-F275 AromaticContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CG-CE2 4.47Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.5Å; Y231-I279 HydrophobicContact CE2-CD1 4.48Å; Y231-I279 WeakPolarHBondContact OH-CA 3.47Å; Y231-I279 PolarHBondContact OH-N 3.43Å; Y231-S282 WeakPolarHBondContact CE2-O 3.5Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 2.9Å; Y231-L284 HydrophobicContact CD2-CD1 3.91Å; Y231-L284 HydrophobicContact CE2-CD1 4.5Å; Y231-L284 HydrophobicContact CG-CD1 4.07Å; Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.48Å
232D97.5Very high96.7Very high14 Ų1433.5 Ų33.58%0.07518%0.177CC..THydrogen-bonded Turntrans-102.915.1179.768.9-15.3000113.6A230 K278 S282 I286A230-D232 PolarHBondContact O-N 3.25Å; D232-K278 WeakPolarHBondContact OD1-CD 3.31Å; D232-K278 IonicContact OD1-NZ 2.82Å; D232-K278 PolarHBondContact OD1-NZ 3.1Å; D232-K278 WeakPolarHBondContact OD2-CD 3.33Å; D232-K278 IonicContact OD2-NZ 3.25Å; D232-S282 WeakPolarHBondContact CB-OG 3.43Å; D232-S282 WeakPolarHBondContact OD2-CB 3.41Å; D232-S282 PolarHBondContact OD2-OG 3.18Å; D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.25Å
233L97.5Very high96.7Very high21 Ų2134.9 Ų34.911%0.1118%0.182CC..  trans-111.1153.6-177.9-57.8-177.3000111.8R145 A230 N242 R243R145-L233 HydrophobicContact CB-CD2 3.87Å; A230-L233 HydrophobicContact CB-CD1 4.32Å; A230-L233 PolarHBondContact O-N 3.34Å; A230-L233 VanDerWaalsContact O-N 3.15Å; L233-N242 CarbonylContact O-C 3.46Å; L233-N242 WeakPolarHBondContact O-CA 3.34Å; L233-N242 PolarHBondContact O-ND2 2.59Å; L233-R243 HydrophobicContact CB-CB 4.45Å; L233-R243 HydrophobicContact CB-CG 3.9Å; L233-R243 PolarHBondContact O-N 3.45Å
234V97.1Very high96.8Very high50 Ų5035 Ų3530%0.30318%0.182SC..EExtended strand (participates in β ladder)trans-102.2157.6167.8-610000111.2Q148 E239 M241 R243Q148-V234 PolarHBondContact NE2-O 2.85Å; V234-E239 WeakPolarHBondContact CG1-O 3.32Å; V234-M241 CarbonylContact C-O 3.6Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.43Å; V234-R243 PolarHBondContact O-NE 3.22Å
235L95.8Very high96.7Very high8 Ų838.3 Ų38.34%0.04220%0.198CC..EExtended strand (participates in β ladder)trans-64.5146.8177.8-66.4173.6000110.6E237 D238 M241 R243 E246L235-E237 PolarHBondContact O-N 3.01Å; L235-D238 HydrophobicContact CB-CB 4.17Å; L235-D238 HydrophobicContact CD1-CB 4.24Å; L235-D238 PolarHBondContact N-O 3.48Å; L235-D238 CarbonylContact O-C 3.58Å; L235-D238 PolarHBondContact O-N 3.39Å; L235-M241 HydrophobicContact CD1-CB 3.88Å; L235-M241 HydrophobicContact CD1-CG 3.67Å; L235-M241 HydrophobicContact CG-CB 4.36Å; L235-M241 HydrophobicContact CG-CG 4.32Å; L235-M241 PolarHBondContact N-O 2.91Å; L235-R243 HydrophobicContact CD2-CB 4.41Å; L235-R243 HydrophobicContact CD2-CG 3.95Å; L235-R243 HydrophobicContact CG-CG 4.4Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.69Å; L235-E246 HydrophobicContact CD2-CB 4.11Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.28Å; L235-E246 HydrophobicContact CG-CG 4.35Å
236A93.2Very high96.7Very high57 Ų5738.8 Ų38.847%0.47120%0.2SC..THydrogen-bonded Turntrans-68.6-27.1170.700000111.4Q148Q148-A236 HydrophobicContact CG-CB 4.3Å
237E93.6Very high96.7Very high89 Ų8939 Ų3942%0.41620%0.202SC..THydrogen-bonded Turntrans-85.5-9.8178.3-54.3100.1129.300114.1Q205 R206 L235Q205-E237 WeakPolarHBondContact CA-OE1 3.47Å; Q205-E237 WeakPolarHBondContact CB-OE1 3.29Å; R206-E237 PolarHBondContact N-OE1 3.18Å; L235-E237 PolarHBondContact O-N 3.01Å
238D94Very high96.7Very high48 Ų4839.6 Ų39.626%0.25720%0.203SC..EExtended strand (participates in β ladder)trans-163.899.6-171-175-15.8000110.2R206 L235 E240 M241R206-D238 IonicContact CZ-OD2 2.61Å; R206-D238 IonicContact NH1-OD2 3.57Å; R206-D238 PolarHBondContact NH1-OD2 2.82Å; R206-D238 IonicContact NH2-OD2 3.96Å; R206-D238 PolarHBondContact NH2-OD2 3.05Å; L235-D238 HydrophobicContact CB-CB 4.17Å; L235-D238 HydrophobicContact CD1-CB 4.24Å; L235-D238 PolarHBondContact N-O 3.48Å; L235-D238 CarbonylContact O-C 3.58Å; L235-D238 PolarHBondContact O-N 3.39Å; D238-E240 PolarHBondContact O-N 3.43Å; D238-E240 PolarHBondContact OD1-N 3.01Å; D238-M241 HydrophobicContact CB-CB 3.99Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.39Å; D238-M241 PolarHBondContact OD1-N 3.33Å; D238-M241 WeakPolarHBondContact OD2-CB 3.46Å
239E91.3Very high96.7Very high165 Ų16545.8 Ų45.877%0.77123%0.23SC*.EExtended strand (participates in β ladder)trans-71.6-9.4-172.9-64.4-177.3175.800113.9V234V234-E239 WeakPolarHBondContact CG1-O 3.32Å
240E94Very high96.7Very high186 Ų18646.3 Ų46.387%0.86923%0.233SC*.EExtended strand (participates in β ladder)trans-94.8-21.4174.9-61.5-172.115600112.1D238D238-E240 PolarHBondContact O-N 3.43Å; D238-E240 PolarHBondContact OD1-N 3.01Å
241M96.6Very high96.7Very high23 Ų2346 Ų4611%0.11323%0.229CC..EExtended strand (participates in β ladder)trans-91.1114.4-174.6-173.871.1-163.700111.6V234 L235 D238 R243 H245 E246 K249V234-M241 CarbonylContact C-O 3.6Å; V234-M241 WeakPolarHBondContact CA-O 3.34Å; L235-M241 HydrophobicContact CD1-CB 3.88Å; L235-M241 HydrophobicContact CD1-CG 3.67Å; L235-M241 HydrophobicContact CG-CB 4.36Å; L235-M241 HydrophobicContact CG-CG 4.32Å; L235-M241 PolarHBondContact N-O 2.91Å; D238-M241 HydrophobicContact CB-CB 3.99Å; D238-M241 VanDerWaalsContact CG-CB 3.49Å; D238-M241 PolarHBondContact O-N 3.39Å; D238-M241 PolarHBondContact OD1-N 3.33Å; D238-M241 WeakPolarHBondContact OD2-CB 3.46Å; M241-R243 PolarHBondContact O-N 2.89Å; M241-H245 VanDerWaalsContact CE-C 3.41Å; M241-H245 HydrophobicContact CE-CB 3.66Å; M241-E246 HydrophobicContact CE-CB 3.76Å; M241-E246 HydrophobicContact CG-CB 4.15Å; M241-K249 HydrophobicContact CE-CD 3.77Å
242N97.9Very high96.7Very high23 Ų2348.2 Ų48.212%0.12324%0.242CC..EExtended strand (participates in β ladder)trans-60.8134.5171.2179.3-79.3000112Y231 L233 M244 H245 E246Y231-N242 PolarHBondContact O-ND2 3.49Å; L233-N242 CarbonylContact O-C 3.46Å; L233-N242 WeakPolarHBondContact O-CA 3.34Å; L233-N242 PolarHBondContact O-ND2 2.59Å; N242-M244 PolarHBondContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CA 2.96Å; N242-M244 WeakPolarHBondContact OD1-CB 3.42Å; N242-M244 PolarHBondContact OD1-N 2.92Å; N242-H245 HydrophobicContact CB-CB 4.24Å; N242-H245 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact OD1-N 2.92Å; N242-H245 VanDerWaalsContact OD1-N 3.15Å; N242-E246 PolarHBondContact O-N 3.5Å
243R98Very high96.7Very high29 Ų2951 Ų5111%0.10926%0.262CS..Hα-helixtrans-64.4-35.9-175.6-65.6-162.8176.1-162.3-5.1113.3E43 A230 L233 V234 L235 M241 E246 S247E43-R243 IonicContact OE2-CZ 2.61Å; E43-R243 IonicContact OE2-NH1 2.87Å; E43-R243 PolarHBondContact OE2-NH1 3.39Å; E43-R243 IonicContact OE2-NH2 3.06Å; E43-R243 PolarHBondContact OE2-NH2 3.12Å; A230-R243 HydrophobicContact CB-CB 3.93Å; L233-R243 HydrophobicContact CB-CB 4.45Å; L233-R243 HydrophobicContact CB-CG 3.9Å; L233-R243 PolarHBondContact O-N 3.45Å; V234-R243 VanDerWaalsContact C-CG 3.42Å; V234-R243 WeakPolarHBondContact O-CG 3.43Å; V234-R243 PolarHBondContact O-NE 3.22Å; L235-R243 HydrophobicContact CD2-CB 4.41Å; L235-R243 HydrophobicContact CD2-CG 3.95Å; L235-R243 HydrophobicContact CG-CG 4.4Å; M241-R243 PolarHBondContact O-N 2.89Å; R243-E246 PolarHBondContact O-N 3.15Å; R243-S247 WeakPolarHBondContact O-CB 3.5Å; R243-S247 PolarHBondContact O-N 2.8Å
244M98.4Very high96.7Very high1 Ų150.2 Ų50.21%0.00526%0.258CS..Hα-helixtrans-70.9-44.7178.6-177.563.873.500111.1V226 A227 N242 E246 S247 M248 F288 I304 F308V226-M244 HydrophobicContact CG1-CE 4.18Å; V226-M244 HydrophobicContact CG1-SD 3.87Å; A227-M244 WeakPolarHBondContact O-CE 3.4Å; N242-M244 PolarHBondContact O-N 3.11Å; N242-M244 WeakPolarHBondContact OD1-CA 2.96Å; N242-M244 WeakPolarHBondContact OD1-CB 3.42Å; N242-M244 PolarHBondContact OD1-N 2.92Å; M244-E246 VanDerWaalsContact C-N 3.27Å; M244-E246 PolarHBondContact O-N 3.23Å; M244-S247 WeakPolarHBondContact O-CB 3.13Å; M244-S247 PolarHBondContact O-N 2.71Å; M244-S247 VanDerWaalsContact O-N 3.12Å; M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.91Å; M244-F288 HydrophobicContact CG-CE2 4.19Å; M244-F288 HydrophobicContact CG-CZ 3.92Å; M244-I304 HydrophobicContact CE-CD1 4.34Å; M244-I304 HydrophobicContact CE-CG2 4.16Å; M244-I304 HydrophobicContact SD-CG2 4.17Å; M244-F308 HydrophobicContact SD-CE2 3.52Å; M244-F308 VanDerWaalsContact SD-CE2 3.52Å; M244-F308 HydrophobicContact SD-CZ 3.78Å
245H98.3Very high96.6Very high70 Ų7047.9 Ų47.932%0.32424%0.243SC..Hα-helixtrans-59.9-37.6172.9-79.1-57.1000112.3M241 N242 M248 K249 C287 F288M241-H245 VanDerWaalsContact CE-C 3.41Å; M241-H245 HydrophobicContact CE-CB 3.66Å; N242-H245 HydrophobicContact CB-CB 4.24Å; N242-H245 PolarHBondContact O-N 3.41Å; N242-H245 PolarHBondContact OD1-N 2.92Å; N242-H245 VanDerWaalsContact OD1-N 3.15Å; H245-M248 PolarHBondContact O-N 3.3Å; H245-K249 WeakPolarHBondContact O-CG 3.37Å; H245-K249 PolarHBondContact O-N 2.84Å; H245-C287 PolarHBondContact NE2-O 3.5Å; H245-F288 AromaticContact CE1-CE1 3.98Å
246E98.1Very high96.7Very high11 Ų1149 Ų495%0.05125%0.25CC..Hα-helixtrans-63.5-48.2173.817776.8172.500110R206 R209 L235 M241 N242 R243 M244 M248 K249 L250R206-E246 IonicContact CZ-OE1 3.64Å; R206-E246 IonicContact CZ-OE2 3.88Å; R206-E246 IonicContact NE-OE1 3.83Å; R206-E246 PolarHBondContact NE-OE1 2.88Å; R206-E246 IonicContact NE-OE2 2.65Å; R206-E246 IonicContact NH2-OE1 2.75Å; R206-E246 IonicContact NH2-OE2 3.04Å; R206-E246 PolarHBondContact NH2-OE2 3.37Å; R209-E246 IonicContact CZ-OE1 3.51Å; R209-E246 IonicContact NH1-OE1 3.13Å; R209-E246 PolarHBondContact NH1-OE1 3.4Å; R209-E246 IonicContact NH2-OE1 2.7Å; R209-E246 PolarHBondContact NH2-OE1 2.77Å; L235-E246 HydrophobicContact CD1-CB 3.91Å; L235-E246 HydrophobicContact CD1-CG 3.69Å; L235-E246 HydrophobicContact CD2-CB 4.11Å; L235-E246 HydrophobicContact CD2-CG 3.97Å; L235-E246 HydrophobicContact CG-CB 4.28Å; L235-E246 HydrophobicContact CG-CG 4.35Å; M241-E246 HydrophobicContact CE-CB 3.76Å; M241-E246 HydrophobicContact CG-CB 4.15Å; N242-E246 PolarHBondContact O-N 3.5Å; R243-E246 PolarHBondContact O-N 3.15Å; M244-E246 VanDerWaalsContact C-N 3.27Å; M244-E246 PolarHBondContact O-N 3.23Å; E246-M248 VanDerWaalsContact C-N 3.27Å; E246-M248 PolarHBondContact O-N 3.15Å; E246-K249 PolarHBondContact O-N 3.39Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 3.43Å
247S98.6Very high96.8Very high5 Ų548.2 Ų48.24%0.03524%0.238CC..Hα-helixtrans-58-39.6178-168.60000112.1R243 M244 L250 F251R243-S247 WeakPolarHBondContact O-CB 3.5Å; R243-S247 PolarHBondContact O-N 2.8Å; M244-S247 WeakPolarHBondContact O-CB 3.13Å; M244-S247 PolarHBondContact O-N 2.71Å; M244-S247 VanDerWaalsContact O-N 3.12Å; S247-L250 WeakPolarHBondContact O-CB 3.45Å; S247-L250 PolarHBondContact O-N 3.37Å; S247-F251 WeakPolarHBondContact O-CB 3.29Å; S247-F251 PolarHBondContact O-N 3.14Å
248M98.7Very high96.8Very high23 Ų2352.8 Ų52.811%0.11326%0.256CS..Hα-helixtrans-65.3-48.9175.4-73.7178.767.600112.4M244 H245 E246 L250 F251 D252 F288 K307 F308 L311M244-M248 WeakPolarHBondContact O-CG 3.43Å; M244-M248 PolarHBondContact O-N 2.91Å; H245-M248 PolarHBondContact O-N 3.3Å; E246-M248 VanDerWaalsContact C-N 3.27Å; E246-M248 PolarHBondContact O-N 3.15Å; M248-L250 PolarHBondContact O-N 2.7Å; M248-F251 PolarHBondContact O-N 2.86Å; M248-F251 VanDerWaalsContact O-N 3.15Å; M248-D252 PolarHBondContact O-N 3.15Å; M248-F288 HydrophobicContact CE-CE1 4.48Å; M248-F288 HydrophobicContact SD-CE1 3.78Å; M248-F288 HydrophobicContact SD-CZ 3.8Å; M248-K307 HydrophobicContact CE-CB 3.84Å; M248-K307 HydrophobicContact SD-CB 4.41Å; M248-F308 HydrophobicContact CB-CE1 4.43Å; M248-F308 HydrophobicContact CB-CZ 4.36Å; M248-F308 HydrophobicContact CG-CD1 4.42Å; M248-F308 HydrophobicContact CG-CD2 4.25Å; M248-F308 HydrophobicContact CG-CE1 3.86Å; M248-F308 HydrophobicContact CG-CE2 3.67Å; M248-F308 HydrophobicContact CG-CZ 3.44Å; M248-F308 VanDerWaalsContact CG-CZ 3.44Å; M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.17Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.41Å
249K98.2Very high96.7Very high129 Ų12957.8 Ų57.856%0.56127%0.272SS*.Hα-helixtrans-55.9-40.1175-73.4176.5-176.6174.50111.6M241 H245 E246 S253M241-K249 HydrophobicContact CE-CD 3.77Å; H245-K249 WeakPolarHBondContact O-CG 3.37Å; H245-K249 PolarHBondContact O-N 2.84Å; E246-K249 PolarHBondContact O-N 3.39Å; K249-S253 PolarHBondContact O-N 2.75Å
250L97.8Very high96.9Very high13 Ų1350 Ų507%0.06824%0.235CC..Hα-helixtrans-68.5-44179.7-141167000110.8A41 W212 F224 E246 S247 M248 S253 I254A41-L250 HydrophobicContact CB-CD1 4.36Å; W212-L250 HydrophobicContact CH2-CD1 4.35Å; W212-L250 HydrophobicContact CH2-CD2 3.34Å; W212-L250 HydrophobicContact CH2-CG 4.43Å; W212-L250 HydrophobicContact CZ3-CD2 3.32Å; F224-L250 HydrophobicContact CE2-CD2 3.91Å; F224-L250 HydrophobicContact CZ-CB 4.17Å; F224-L250 HydrophobicContact CZ-CD2 4.11Å; E246-L250 VanDerWaalsContact O-CB 3.28Å; E246-L250 WeakPolarHBondContact O-CB 3.42Å; E246-L250 PolarHBondContact O-N 3.43Å; S247-L250 WeakPolarHBondContact O-CB 3.45Å; S247-L250 PolarHBondContact O-N 3.37Å; M248-L250 PolarHBondContact O-N 2.7Å; L250-S253 PolarHBondContact O-N 3.34Å; L250-I254 HydrophobicContact CD2-CG1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.18Å; L250-I254 VanDerWaalsContact O-N 3.14Å
251F98.5Very high96.7Very high0 Ų044 Ų440%021%0.211CC..Hα-helixtrans-62.4-46.5175.1-175.1-108.9000112.1F224 S247 M248 S253 I254 C255 I265 L267 F308 L311 I320F224-F251 HydrophobicContact CB-CD2 4.05Å; F224-F251 HydrophobicContact CB-CE2 4.12Å; F224-F251 HydrophobicContact CD1-CB 4.3Å; F224-F251 AromaticContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CD2 3.54Å; F224-F251 HydrophobicContact CD1-CE2 4.32Å; F224-F251 HydrophobicContact CD1-CG 4.32Å; F224-F251 AromaticContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CD2-CD2 3.95Å; F224-F251 HydrophobicContact CE1-CB 3.75Å; F224-F251 AromaticContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CD2 3.89Å; F224-F251 HydrophobicContact CE1-CG 4.27Å; F224-F251 HydrophobicContact CE2-CB 4.32Å; F224-F251 HydrophobicContact CE2-CD2 4.26Å; F224-F251 AromaticContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CD2 3.57Å; F224-F251 HydrophobicContact CG-CE2 4.15Å; F224-F251 HydrophobicContact CZ-CB 3.76Å; F224-F251 HydrophobicContact CZ-CD2 4.23Å; S247-F251 WeakPolarHBondContact O-CB 3.29Å; S247-F251 PolarHBondContact O-N 3.14Å; M248-F251 PolarHBondContact O-N 2.86Å; M248-F251 VanDerWaalsContact O-N 3.15Å; F251-S253 PolarHBondContact O-N 2.85Å; F251-I254 PolarHBondContact O-N 3.39Å; F251-C255 HydrophobicContact CD1-CB 4.4Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CE2-CB 4.15Å; F251-C255 HydrophobicContact CZ-CB 3.86Å; F251-C255 PolarHBondContact O-N 3.39Å; F251-C255 PolarHBondContact O-SG 3.35Å; F251-I265 HydrophobicContact CE2-CG2 4.07Å; F251-I265 HydrophobicContact CZ-CG2 4.46Å; F251-L267 HydrophobicContact CD2-CD1 4.27Å; F251-L267 HydrophobicContact CE2-CD1 4.01Å; F251-L267 HydrophobicContact CZ-CD1 4.42Å; F251-F308 HydrophobicContact CB-CD1 3.79Å; F251-F308 HydrophobicContact CB-CE1 3.82Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD2-CD1 4.47Å; F251-F308 HydrophobicContact CE1-CB 4.39Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 VanDerWaalsContact CE1-O 3.26Å; F251-F308 WeakPolarHBondContact CE1-O 3.19Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.24Å; F251-L311 HydrophobicContact CD1-CB 4.13Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-L311 HydrophobicContact CE1-CB 4.49Å; F251-I320 HydrophobicContact CZ-CD1 4.25Å; F251-I320 HydrophobicContact CZ-CG1 4.43Å; F251-I320 HydrophobicContact CZ-CG2 4.06Å
252D98.3Very high96.4Very high48 Ų4850.1 Ų50.126%0.25725%0.245SC..Hα-helixtrans-53.8-41.9176.118048.6000111.7M248 N256 L311 K313M248-D252 PolarHBondContact O-N 3.15Å; D252-N256 WeakPolarHBondContact O-CB 3.49Å; D252-N256 PolarHBondContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.43Å; D252-N256 VanDerWaalsContact O-ND2 3.07Å; D252-N256 PolarHBondContact OD1-ND2 3.38Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.36Å; D252-L311 HydrophobicContact CB-CD2 4.26Å; D252-K313 IonicContact OD1-NZ 2.78Å; D252-K313 PolarHBondContact OD1-NZ 3.21Å; D252-K313 IonicContact OD2-NZ 2.66Å; D252-K313 PolarHBondContact OD2-NZ 3.45Å
253S97Very high96.1Very high71 Ų7149.8 Ų49.850%0.49724%0.243SC..Hα-helixtrans-66.7-35.4177.3-179.80000113.3K249 L250 F251 N257K249-S253 PolarHBondContact O-N 2.75Å; L250-S253 PolarHBondContact O-N 3.34Å; F251-S253 PolarHBondContact O-N 2.85Å; S253-N257 WeakPolarHBondContact O-CB 3.33Å; S253-N257 PolarHBondContact O-N 2.89Å
254I96.7Very high95.8Very high6 Ų649.3 Ų49.33%0.03124%0.244CC..Hα-helixtrans-81-51.7-179.2-65.4-55.3000111.2L39 W212 F216 I222 F224 L250 F251 N256 N257 F260L39-I254 HydrophobicContact CD1-CD1 3.79Å; L39-I254 HydrophobicContact CD1-CG1 4.06Å; L39-I254 HydrophobicContact CD1-CG2 3.81Å; W212-I254 HydrophobicContact CE3-CD1 4.2Å; W212-I254 HydrophobicContact CZ3-CD1 4.08Å; W212-I254 HydrophobicContact CZ3-CG1 4.35Å; F216-I254 HydrophobicContact CZ-CD1 4.21Å; I222-I254 HydrophobicContact CD1-CG2 4Å; I222-I254 HydrophobicContact CG2-CG2 4.37Å; F224-I254 HydrophobicContact CD2-CB 4.39Å; F224-I254 HydrophobicContact CD2-CG1 4.37Å; F224-I254 HydrophobicContact CD2-CG2 4.33Å; F224-I254 HydrophobicContact CE2-CB 4.35Å; F224-I254 HydrophobicContact CE2-CG1 4.02Å; L250-I254 HydrophobicContact CD2-CG1 4.3Å; L250-I254 WeakPolarHBondContact O-CG1 3.3Å; L250-I254 PolarHBondContact O-N 3.18Å; L250-I254 VanDerWaalsContact O-N 3.14Å; F251-I254 PolarHBondContact O-N 3.39Å; I254-N256 PolarHBondContact O-N 3.23Å; I254-N257 VanDerWaalsContact O-CB 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; I254-F260 HydrophobicContact CD1-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å
255C96.7Very high95.7Very high0 Ų049.3 Ų49.30%024%0.244CC..Hα-helixtrans-66.4-23.7-173.7730000113F251 I265 R314 I320F251-C255 HydrophobicContact CD1-CB 4.4Å; F251-C255 HydrophobicContact CE1-CB 3.98Å; F251-C255 HydrophobicContact CE2-CB 4.15Å; F251-C255 HydrophobicContact CZ-CB 3.86Å; F251-C255 PolarHBondContact O-N 3.39Å; F251-C255 PolarHBondContact O-SG 3.35Å; C255-I265 HydrophobicContact CB-CD1 3.92Å; C255-R314 PolarHBondContact O-NH2 3.37Å; C255-I320 HydrophobicContact CB-CD1 4.47Å
256N96.8Very high95.6Very high33 Ų3346 Ų4618%0.17623%0.229CC..THydrogen-bonded Turntrans-103.97.9175.9-59.3-56.6000113.7D252 I254 L311 K313D252-N256 WeakPolarHBondContact O-CB 3.49Å; D252-N256 PolarHBondContact O-N 3.14Å; D252-N256 PolarHBondContact O-ND2 3.43Å; D252-N256 VanDerWaalsContact O-ND2 3.07Å; D252-N256 PolarHBondContact OD1-ND2 3.38Å; I254-N256 PolarHBondContact O-N 3.23Å; N256-L311 PolarHBondContact ND2-O 3.27Å; N256-K313 HydrophobicContact CB-CD 4.46Å; N256-K313 PolarHBondContact ND2-NZ 3.32Å; N256-K313 WeakPolarHBondContact OD1-CB 3.2Å; N256-K313 PolarHBondContact OD1-N 3.5Å
257N94.6Very high95.6Very high40 Ų4045.5 Ų45.521%0.21423%0.227CC..  trans-67.5144177.6-156.6-54.3000111.1S253 I254 W259 F260 R314S253-N257 WeakPolarHBondContact O-CB 3.33Å; S253-N257 PolarHBondContact O-N 2.89Å; I254-N257 VanDerWaalsContact O-CB 3.31Å; I254-N257 WeakPolarHBondContact O-CB 3.48Å; I254-N257 PolarHBondContact O-N 2.93Å; N257-W259 PolarHBondContact OD1-N 2.83Å; N257-F260 HydrophobicContact CB-CD2 3.72Å; N257-F260 HydrophobicContact CB-CE2 4.39Å; N257-F260 HydrophobicContact CB-CG 4.45Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.46Å; N257-R314 PolarHBondContact O-NH2 3.15Å
258K93.9Very high95.6Very high185 Ų18545.4 Ų45.480%0.80423%0.226SC*.G310 helixtrans-69.5-32.4176.6-67.3-174.6179-177.70112.8F260 T261K258-F260 PolarHBondContact O-N 3.39Å; K258-T261 PolarHBondContact O-N 3.43Å; K258-T261 PolarHBondContact O-OG1 3.45Å
259W93.3Very high95.6Very high153 Ų15344.3 Ų44.358%0.5822%0.22SC*.G310 helixtrans-59.5-26173.9-76.799.6000112.6I213 F216 N257I213-W259 HydrophobicContact CD1-CZ2 4.48Å; F216-W259 HydrophobicContact CB-CB 4.47Å; F216-W259 HydrophobicContact CB-CD2 4.33Å; F216-W259 HydrophobicContact CB-CE3 4.34Å; F216-W259 HydrophobicContact CB-CG 4.4Å; F216-W259 HydrophobicContact CD2-CB 3.94Å; F216-W259 AromaticContact CD2-CG 3.9Å; F216-W259 HydrophobicContact CD2-CG 3.9Å; N257-W259 PolarHBondContact OD1-N 2.83Å
260F93.9Very high95.7Very high0 Ų038.3 Ų38.30%019%0.194CC..G310 helixtrans-117.143.4-175.8-51.2-45.8000110.4L37 L39 F216 V219 I222 I254 N257 K258 T263 K318L37-F260 HydrophobicContact CD2-CE1 4.47Å; L37-F260 HydrophobicContact CD2-CZ 4.08Å; L39-F260 HydrophobicContact CD1-CE2 4.38Å; F216-F260 HydrophobicContact CB-CE1 4.13Å; F216-F260 HydrophobicContact CB-CZ 4.18Å; F216-F260 HydrophobicContact CD1-CE1 4.11Å; F216-F260 HydrophobicContact CD1-CE2 4.31Å; F216-F260 AromaticContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD1-CZ 3.39Å; F216-F260 HydrophobicContact CD2-CE1 4.16Å; F216-F260 AromaticContact CD2-CE2 3.97Å; F216-F260 HydrophobicContact CD2-CE2 3.97Å; F216-F260 AromaticContact CD2-CZ 3.53Å; F216-F260 HydrophobicContact CD2-CZ 3.53Å; F216-F260 AromaticContact CE1-CE2 3.98Å; F216-F260 HydrophobicContact CE1-CE2 3.98Å; F216-F260 AromaticContact CE1-CZ 3.45Å; F216-F260 HydrophobicContact CE1-CZ 3.45Å; F216-F260 VanDerWaalsContact CE1-CZ 3.45Å; F216-F260 AromaticContact CE2-CE2 3.62Å; F216-F260 HydrophobicContact CE2-CE2 3.62Å; F216-F260 AromaticContact CE2-CZ 3.6Å; F216-F260 HydrophobicContact CE2-CZ 3.6Å; F216-F260 AromaticContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE1 3.89Å; F216-F260 HydrophobicContact CG-CE2 4.3Å; F216-F260 AromaticContact CG-CZ 3.43Å; F216-F260 HydrophobicContact CG-CZ 3.43Å; F216-F260 VanDerWaalsContact CG-CZ 3.43Å; F216-F260 AromaticContact CZ-CE2 3.62Å; F216-F260 HydrophobicContact CZ-CE2 3.62Å; F216-F260 AromaticContact CZ-CZ 3.56Å; F216-F260 HydrophobicContact CZ-CZ 3.56Å; V219-F260 HydrophobicContact CG2-CE1 4.31Å; I222-F260 HydrophobicContact CD1-CB 4.01Å; I222-F260 HydrophobicContact CD1-CD1 3.57Å; I222-F260 HydrophobicContact CD1-CD2 3.42Å; I222-F260 VanDerWaalsContact CD1-CD2 3.42Å; I222-F260 HydrophobicContact CD1-CE1 3.71Å; I222-F260 HydrophobicContact CD1-CE2 3.58Å; I222-F260 HydrophobicContact CD1-CG 3.39Å; I222-F260 HydrophobicContact CD1-CZ 3.67Å; I222-F260 HydrophobicContact CG1-CE1 4.48Å; I254-F260 HydrophobicContact CD1-CE2 4.21Å; I254-F260 HydrophobicContact CG2-CD2 4.07Å; I254-F260 HydrophobicContact CG2-CE2 4.12Å; N257-F260 HydrophobicContact CB-CD2 3.72Å; N257-F260 HydrophobicContact CB-CE2 4.39Å; N257-F260 HydrophobicContact CB-CG 4.45Å; N257-F260 CarbonylContact O-C 3.5Å; N257-F260 PolarHBondContact O-N 3.46Å; K258-F260 PolarHBondContact O-N 3.39Å; F260-T263 HydrophobicContact CD1-CG2 4.46Å; F260-K318 PolarHBondContact O-NZ 2.98Å
261T91.5Very high95.7Very high60 Ų6038.9 Ų38.937%0.36820%0.196SC..SBendtrans-68.6-55.6176.9-58.80000109.1K258 K318K258-T261 PolarHBondContact O-N 3.43Å; K258-T261 PolarHBondContact O-OG1 3.45Å; T261-K318 PolarHBondContact O-NZ 3.4Å
262D88.8Confident95.7Very high153 Ų15341.7 Ų41.782%0.81821%0.209SC*.SBendtrans-93.2-5.2-175.8-48.5-51.3000113.6
263T92.3Very high95.6Very high16 Ų1641.6 Ų41.610%0.09821%0.208CC..SBendtrans-71.4130.1178.5-52.40000111.7V219 I222 F260 K318V219-T263 HydrophobicContact CB-CG2 4.23Å; V219-T263 HydrophobicContact CG1-CG2 3.76Å; V219-T263 WeakPolarHBondContact O-CG2 3.45Å; V219-T263 PolarHBondContact O-OG1 2.93Å; I222-T263 HydrophobicContact CD1-CG2 4.18Å; I222-T263 HydrophobicContact CG1-CG2 3.91Å; F260-T263 HydrophobicContact CD1-CG2 4.46Å; T263-K318 WeakPolarHBondContact O-CE 3.36Å; T263-K318 PolarHBondContact O-NZ 3.17Å
264S92.2Very high95.7Very high19 Ų1939.9 Ų39.913%0.13319%0.193CC..EExtended strand (participates in β ladder)trans-63.8137.4173.5-68.10000111.1A221 I222 N347A221-S264 CarbonylContact C-O 3.42Å; A221-S264 VanDerWaalsContact CA-O 3.3Å; A221-S264 WeakPolarHBondContact CA-O 3.32Å; I222-S264 PolarHBondContact N-O 2.87Å; S264-N347 PolarHBondContact OG-ND2 3.47Å
265I95.7Very high95.8Very high0 Ų039.6 Ų39.60%019%0.192CC..EExtended strand (participates in β ladder)trans-119.9123.8178.6-58.8-173.8000109.9I222 F251 C255 I320 Y321I222-I265 HydrophobicContact CB-CG1 4.41Å; F251-I265 HydrophobicContact CE2-CG2 4.07Å; F251-I265 HydrophobicContact CZ-CG2 4.46Å; C255-I265 HydrophobicContact CB-CD1 3.92Å; I265-I320 HydrophobicContact CB-CD1 3.72Å; I265-I320 HydrophobicContact CD1-CD1 4.31Å; I265-I320 HydrophobicContact CG1-CD1 4.49Å; I265-I320 HydrophobicContact CG2-CD1 3.86Å; I265-Y321 PolarHBondContact O-N 3.39Å
266I97.1Very high95.8Very high1 Ų144.7 Ų44.71%0.00522%0.215CC..EExtended strand (participates in β ladder)trans-108.3127.1173.5-57.1103.8000108.2A221 I222 I223 F224 F268 Y321 V340A221-I266 HydrophobicContact CB-CD1 3.77Å; I222-I266 PolarHBondContact O-N 2.94Å; I223-I266 CarbonylContact C-O 3.58Å; I223-I266 WeakPolarHBondContact CA-O 3.17Å; I223-I266 HydrophobicContact CG1-CB 4.25Å; I223-I266 HydrophobicContact CG1-CD1 4.25Å; F224-I266 PolarHBondContact N-O 3.06Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 VanDerWaalsContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.42Å; I266-Y321 CarbonylContact C-O 3.54Å; I266-Y321 VanDerWaalsContact CA-O 3.3Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-Y321 WeakPolarHBondContact CG2-O 3.21Å; I266-V340 HydrophobicContact CB-CG2 4.5Å; I266-V340 HydrophobicContact CD1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG1 3.86Å; I266-V340 HydrophobicContact CG1-CG2 4.19Å; I266-V340 HydrophobicContact CG2-CG2 3.61Å
267L98.2Very high95.8Very high0 Ų049.4 Ų49.40%024%0.236CC..EExtended strand (participates in β ladder)trans-101.1112.2177.9177.763.9000109.7F224 V226 F251 L269 F308 I320 Y321 T322 H323F224-L267 HydrophobicContact CD1-CD1 4.09Å; V226-L267 HydrophobicContact CG2-CD1 3.65Å; F251-L267 HydrophobicContact CD2-CD1 4.27Å; F251-L267 HydrophobicContact CE2-CD1 4.01Å; F251-L267 HydrophobicContact CZ-CD1 4.42Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4.05Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD2 4.03Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L267-F308 HydrophobicContact CD1-CD1 4.23Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.15Å; L267-I320 HydrophobicContact CB-CG2 3.74Å; L267-I320 HydrophobicContact CD2-CG2 4.44Å; L267-Y321 PolarHBondContact N-O 3.3Å; L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 3.96Å; L267-T322 HydrophobicContact CG-CG2 4.19Å; L267-T322 CarbonylContact O-C 3.39Å; L267-T322 WeakPolarHBondContact O-CA 3.41Å; L267-H323 PolarHBondContact O-N 2.88Å
268F98.6Very high96Very high3 Ų349.1 Ų49.11%0.01323%0.233CC..EExtended strand (participates in β ladder)trans-93.7105.8172.6-79.78.2000109.9I49 I223 F224 V226 I266 N270 H323 T325 V336 V340I49-F268 HydrophobicContact CD1-CD2 4.2Å; I49-F268 HydrophobicContact CD1-CE2 4.14Å; I49-F268 HydrophobicContact CG1-CD2 4.31Å; I49-F268 HydrophobicContact CG1-CE2 4.41Å; I49-F268 HydrophobicContact CG2-CE2 4.48Å; I223-F268 HydrophobicContact CD1-CZ 4.38Å; I223-F268 HydrophobicContact CG2-CB 4.43Å; I223-F268 HydrophobicContact CG2-CD1 4.15Å; I223-F268 HydrophobicContact CG2-CD2 3.49Å; I223-F268 VanDerWaalsContact CG2-CD2 3.49Å; I223-F268 HydrophobicContact CG2-CE1 4.28Å; I223-F268 HydrophobicContact CG2-CE2 3.62Å; I223-F268 HydrophobicContact CG2-CG 3.76Å; I223-F268 HydrophobicContact CG2-CZ 4.02Å; F224-F268 PolarHBondContact O-N 3.46Å; V226-F268 PolarHBondContact N-O 3.16Å; I266-F268 HydrophobicContact CG2-CD1 3.68Å; I266-F268 HydrophobicContact CG2-CE1 3.4Å; I266-F268 VanDerWaalsContact CG2-CE1 3.4Å; I266-F268 HydrophobicContact CG2-CZ 4.42Å; F268-N270 PolarHBondContact O-N 3.39Å; F268-N270 VanDerWaalsContact O-N 3.17Å; F268-H323 HydrophobicContact CD1-CB 4.19Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; F268-T325 HydrophobicContact CB-CG2 4.44Å; F268-T325 HydrophobicContact CD1-CG2 4.17Å; F268-T325 HydrophobicContact CD2-CG2 4.09Å; F268-T325 HydrophobicContact CE1-CG2 4.44Å; F268-T325 HydrophobicContact CE2-CG2 4.39Å; F268-T325 HydrophobicContact CG-CG2 3.99Å; F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.42Å; F268-V336 VanDerWaalsContact CE1-CG1 3.42Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.56Å; F268-V340 HydrophobicContact CE1-CG2 3.92Å; F268-V340 HydrophobicContact CZ-CG2 4.22Å
269L98.7Very high96.1Very high0 Ų040.4 Ų40.40%020%0.195CC..EExtended strand (participates in β ladder)trans-83.284.5168.4-61.8-179.3000108.2V226 L228 L267 Q305 F308 T322 H323 F324 T325V226-L269 HydrophobicContact CB-CD2 3.99Å; V226-L269 HydrophobicContact CG1-CD2 4.25Å; V226-L269 HydrophobicContact CG2-CD2 4.23Å; L228-L269 HydrophobicContact CD1-CB 3.94Å; L228-L269 HydrophobicContact CD2-CB 4.05Å; L228-L269 HydrophobicContact CD2-CD2 4.25Å; L228-L269 HydrophobicContact CG-CB 3.94Å; L267-L269 HydrophobicContact CD1-CD2 4.29Å; L267-L269 HydrophobicContact CD2-CD2 4.05Å; L267-L269 HydrophobicContact CD2-CG 4.37Å; L267-L269 HydrophobicContact CG-CD2 4.03Å; L267-L269 HydrophobicContact CG-CG 4.25Å; L269-Q305 HydrophobicContact CD1-CB 3.65Å; L269-Q305 HydrophobicContact CD1-CG 4.23Å; L269-F308 HydrophobicContact CD2-CD2 4.37Å; L269-T322 HydrophobicContact CD1-CG2 3.56Å; L269-T322 HydrophobicContact CG-CG2 3.87Å; L269-H323 PolarHBondContact N-O 3.32Å; L269-F324 HydrophobicContact CB-CD1 3.78Å; L269-F324 HydrophobicContact CB-CE1 3.95Å; L269-F324 HydrophobicContact CD1-CD1 4.08Å; L269-F324 HydrophobicContact CD1-CE1 3.43Å; L269-F324 VanDerWaalsContact CD1-CE1 3.43Å; L269-F324 HydrophobicContact CD1-CZ 3.74Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.48Å; L269-T325 PolarHBondContact O-N 3.42Å
270N98.7Very high96.3Very high3 Ų338 Ų382%0.01620%0.198CC..EExtended strand (participates in β ladder)trans-89.3167.8-169-170.935000113S44 V226 L228 F268 K272 T325 A327S44-N270 PolarHBondContact O-ND2 2.85Å; V226-N270 WeakPolarHBondContact O-CA 3.38Å; V226-N270 WeakPolarHBondContact O-CB 3.15Å; V226-N270 PolarHBondContact O-N 2.97Å; L228-N270 WeakPolarHBondContact CB-O 3.46Å; L228-N270 PolarHBondContact N-O 2.98Å; F268-N270 PolarHBondContact O-N 3.39Å; F268-N270 VanDerWaalsContact O-N 3.17Å; N270-K272 VanDerWaalsContact C-N 3.28Å; N270-K272 PolarHBondContact O-N 2.68Å; N270-T325 CarbonylContact C-O 3.48Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.45Å; N270-T325 WeakPolarHBondContact CA-OG1 3.44Å; N270-T325 VanDerWaalsContact CB-OG1 3.32Å; N270-T325 WeakPolarHBondContact CB-OG1 3.43Å; N270-T325 PolarHBondContact OD1-O 2.94Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; N270-A327 WeakPolarHBondContact OD1-CB 3.15Å; N270-A327 PolarHBondContact OD1-N 3.13Å
271K98.3Very high96.4Very high25 Ų2544 Ų4411%0.10923%0.225CC..  trans60.138.9-177-49.6-175.6-172.5178.10112E43 D151 A227 S229 D273 L274 F275 T325E43-K271 WeakPolarHBondContact O-CE 3.42Å; E43-K271 PolarHBondContact O-NZ 3.21Å; D151-K271 WeakPolarHBondContact OD2-CD 3.32Å; D151-K271 WeakPolarHBondContact OD2-CE 3.45Å; D151-K271 IonicContact OD2-NZ 2.69Å; D151-K271 PolarHBondContact OD2-NZ 2.98Å; A227-K271 HydrophobicContact CB-CD 3.93Å; S229-K271 WeakPolarHBondContact OG-CD 3.28Å; K271-D273 VanDerWaalsContact C-OD1 3.26Å; K271-D273 WeakPolarHBondContact CA-OD1 3.2Å; K271-D273 PolarHBondContact O-N 3.15Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CB-CD1 4.36Å; K271-L274 HydrophobicContact CD-CD1 4.22Å; K271-L274 PolarHBondContact O-N 2.95Å; K271-F275 WeakPolarHBondContact O-CB 3.3Å; K271-F275 PolarHBondContact O-N 3.42Å; K271-T325 PolarHBondContact N-O 2.97Å
272K98.1Very high96.6Very high60 Ų6041.2 Ų41.226%0.26121%0.209SC..Hα-helixtrans-59.7-32.4178.273.4176.9-172.7169.70112.1L228 N270 F275 E276 Y297 F324 T325 C326L228-K272 HydrophobicContact CD1-CB 4.22Å; N270-K272 VanDerWaalsContact C-N 3.28Å; N270-K272 PolarHBondContact O-N 2.68Å; K272-F275 PolarHBondContact O-N 3.12Å; K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.01Å; K272-E276 PolarHBondContact O-N 3.03Å; K272-Y297 HydrophobicContact CB-CE2 3.98Å; K272-F324 HydrophobicContact CD-CB 4.11Å; K272-T325 WeakPolarHBondContact CG-O 3.37Å; K272-T325 PolarHBondContact N-O 3.43Å; K272-T325 VanDerWaalsContact N-O 3.17Å; K272-C326 HydrophobicContact CG-CB 4.25Å
273D97.4Very high97Very high46 Ų4636.1 Ų36.125%0.24618%0.184CC..Hα-helixtrans-60.6-52.6175.757.7-40.1000111.3R177 K271 F275 E276 E277 C326R177-D273 IonicContact NH2-OD2 4Å; K271-D273 VanDerWaalsContact C-OD1 3.26Å; K271-D273 WeakPolarHBondContact CA-OD1 3.2Å; K271-D273 PolarHBondContact O-N 3.15Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.49Å; D273-E276 PolarHBondContact O-N 3.35Å; D273-E277 PolarHBondContact O-N 2.97Å; D273-C326 VanDerWaalsContact CG-SG 3.55Å
274L97.8Very high97.3Very high35 Ų3535.4 Ų35.418%0.18318%0.179CC..Hα-helixtrans-68.6-32.8178.5-59.1-178.4000111.8D151 K271 K278D151-L274 HydrophobicContact CB-CD1 3.67Å; K271-L274 HydrophobicContact CB-CB 4.4Å; K271-L274 HydrophobicContact CB-CD1 4.36Å; K271-L274 HydrophobicContact CD-CD1 4.22Å; K271-L274 PolarHBondContact O-N 2.95Å; L274-K278 WeakPolarHBondContact O-CB 3.07Å; L274-K278 PolarHBondContact O-N 3.29Å
275F98.5Very high97.6Very high0 Ų037.2 Ų37.20%019%0.19CC..Hα-helixtrans-67.7-44.2175.7177.8-104.7000112.1L228 Y231 K271 K272 D273 E277 K278 I279 Y297 A300 A301 I304L228-F275 HydrophobicContact CB-CB 3.65Å; L228-F275 HydrophobicContact CB-CD1 4.38Å; L228-F275 HydrophobicContact CB-CD2 4.01Å; L228-F275 HydrophobicContact CB-CG 3.75Å; L228-F275 HydrophobicContact CD1-CD1 4.35Å; L228-F275 HydrophobicContact CD1-CG 4.49Å; L228-F275 WeakPolarHBondContact O-CD2 3.38Å; Y231-F275 AromaticContact CD1-CD2 3.69Å; Y231-F275 HydrophobicContact CD1-CD2 3.69Å; Y231-F275 AromaticContact CD1-CE2 3.63Å; Y231-F275 HydrophobicContact CD1-CE2 3.63Å; Y231-F275 AromaticContact CE1-CD2 3.57Å; Y231-F275 HydrophobicContact CE1-CD2 3.57Å; Y231-F275 AromaticContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CE1-CE2 3.6Å; Y231-F275 HydrophobicContact CG-CE2 4.47Å; K271-F275 WeakPolarHBondContact O-CB 3.3Å; K271-F275 PolarHBondContact O-N 3.42Å; K272-F275 PolarHBondContact O-N 3.12Å; D273-F275 VanDerWaalsContact C-N 3.3Å; D273-F275 PolarHBondContact O-N 3.49Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.45Å; F275-K278 PolarHBondContact O-N 2.76Å; F275-I279 HydrophobicContact CE2-CB 4.44Å; F275-I279 HydrophobicContact CE2-CD1 4.32Å; F275-I279 HydrophobicContact CZ-CB 4.33Å; F275-I279 HydrophobicContact CZ-CD1 4.24Å; F275-I279 HydrophobicContact CZ-CG1 4.24Å; F275-I279 WeakPolarHBondContact O-CB 3.39Å; F275-I279 WeakPolarHBondContact O-CG2 3.45Å; F275-I279 PolarHBondContact O-N 2.95Å; F275-Y297 AromaticContact CD1-CD2 3.69Å; F275-Y297 HydrophobicContact CD1-CD2 3.69Å; F275-Y297 AromaticContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CE1-CD2 4.11Å; F275-A300 HydrophobicContact CE1-CB 4.14Å; F275-A300 HydrophobicContact CZ-CB 3.68Å; F275-A301 HydrophobicContact CE1-CB 3.91Å; F275-I304 HydrophobicContact CE2-CD1 3.67Å; F275-I304 HydrophobicContact CZ-CD1 3.71Å
276E98.2Very high97.6Very high107 Ų10740.8 Ų40.850%0.521%0.208SC..Hα-helixtrans-59.4-41.9178.4-179.5167.7-149.300112K272 D273 I279 Y297K272-E276 VanDerWaalsContact O-CB 3.28Å; K272-E276 WeakPolarHBondContact O-CB 3.01Å; K272-E276 PolarHBondContact O-N 3.03Å; D273-E276 PolarHBondContact O-N 3.35Å; E276-I279 WeakPolarHBondContact O-CG2 3.32Å; E276-Y297 HydrophobicContact CB-CD2 3.61Å; E276-Y297 HydrophobicContact CB-CE2 4.26Å; E276-Y297 HydrophobicContact CB-CG 4.19Å; E276-Y297 HydrophobicContact CG-CD2 4.12Å; E276-Y297 HydrophobicContact CG-CG 4.18Å
277E96.7Very high97.7Very high131 Ų13140.8 Ų40.861%0.61221%0.209SC*.Hα-helixtrans-66.7-51.5173.3-172.7-175.1162.500111.1D273 F275 I279 T280 H281D273-E277 PolarHBondContact O-N 2.97Å; F275-E277 VanDerWaalsContact C-N 3.32Å; F275-E277 PolarHBondContact O-N 3.45Å; E277-I279 PolarHBondContact O-N 3.28Å; E277-T280 PolarHBondContact O-N 3.44Å; E277-T280 PolarHBondContact O-OG1 3.47Å; E277-H281 PolarHBondContact O-CE1 2.78Å; E277-H281 VanDerWaalsContact O-CE1 3.26Å; E277-H281 PolarHBondContact O-ND1 3.48Å
278K97.3Very high97.7Very high34 Ų3440.9 Ų40.915%0.14821%0.209CC..Hα-helixtrans-65.5-38.3-171.1-173-175.2-86.1-161.20114S229 Y231 D232 L274 F275 T280 H281 S282S229-K278 PolarHBondContact O-NZ 3.34Å; Y231-K278 HydrophobicContact CE1-CD 3.72Å; Y231-K278 HydrophobicContact CE1-CG 4.15Å; Y231-K278 PolarHBondContact OH-O 3.5Å; D232-K278 WeakPolarHBondContact OD1-CD 3.31Å; D232-K278 IonicContact OD1-NZ 2.82Å; D232-K278 PolarHBondContact OD1-NZ 3.1Å; D232-K278 WeakPolarHBondContact OD2-CD 3.33Å; D232-K278 IonicContact OD2-NZ 3.25Å; L274-K278 WeakPolarHBondContact O-CB 3.07Å; L274-K278 PolarHBondContact O-N 3.29Å; F275-K278 PolarHBondContact O-N 2.76Å; K278-T280 PolarHBondContact O-N 3.28Å; K278-T280 VanDerWaalsContact O-N 3.11Å; K278-H281 VanDerWaalsContact CA-CE1 3.46Å; K278-H281 WeakPolarHBondContact CA-CE1 3.36Å; K278-H281 PolarHBondContact O-N 3Å; K278-H281 VanDerWaalsContact O-N 3.09Å; K278-S282 PolarHBondContact O-N 3.43Å
279I97.9Very high97.7Very high2 Ų245.7 Ų45.71%0.0124%0.24CC..Hα-helixtrans-61.3-25.7-176.3-167.260.1000112.4Y231 F275 E276 E277 H281 L284 N295 A300Y231-I279 HydrophobicContact CE2-CD1 4.48Å; Y231-I279 WeakPolarHBondContact OH-CA 3.47Å; Y231-I279 PolarHBondContact OH-N 3.43Å; F275-I279 HydrophobicContact CE2-CB 4.44Å; F275-I279 HydrophobicContact CE2-CD1 4.32Å; F275-I279 HydrophobicContact CZ-CB 4.33Å; F275-I279 HydrophobicContact CZ-CD1 4.24Å; F275-I279 HydrophobicContact CZ-CG1 4.24Å; F275-I279 WeakPolarHBondContact O-CB 3.39Å; F275-I279 WeakPolarHBondContact O-CG2 3.45Å; F275-I279 PolarHBondContact O-N 2.95Å; E276-I279 WeakPolarHBondContact O-CG2 3.32Å; E277-I279 PolarHBondContact O-N 3.28Å; I279-H281 PolarHBondContact O-N 3.26Å; I279-L284 HydrophobicContact CD1-CB 3.94Å; I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.14Å; I279-N295 WeakPolarHBondContact O-CB 3.39Å; I279-A300 HydrophobicContact CD1-CB 3.98Å; I279-A300 HydrophobicContact CG1-CB 3.89Å
280T96.6Very high97.6Very high104 Ų10450.6 Ų50.664%0.63826%0.263SS*.THydrogen-bonded Turntrans-65.9-22.1178.666.70000113.9E277 K278E277-T280 PolarHBondContact O-N 3.44Å; E277-T280 PolarHBondContact O-OG1 3.47Å; K278-T280 PolarHBondContact O-N 3.28Å; K278-T280 VanDerWaalsContact O-N 3.11Å
281H95.3Very high97.5Very high124 Ų12451.2 Ų51.257%0.57427%0.266SS*.THydrogen-bonded Turntrans-132.7-7.1-174.754.9-96.6000114.6E277 K278 I279E277-H281 PolarHBondContact O-CE1 2.78Å; E277-H281 VanDerWaalsContact O-CE1 3.26Å; E277-H281 PolarHBondContact O-ND1 3.48Å; K278-H281 VanDerWaalsContact CA-CE1 3.46Å; K278-H281 WeakPolarHBondContact CA-CE1 3.36Å; K278-H281 PolarHBondContact O-N 3Å; K278-H281 VanDerWaalsContact O-N 3.09Å; I279-H281 PolarHBondContact O-N 3.26Å
282S96.6Very high97.5Very high3 Ų356.8 Ų56.82%0.02130%0.302CS..SBendtrans-125.5108.1174.2-168.40000109.2R145 Y231 D232 K278R145-S282 PolarHBondContact NH1-OG 3.13Å; R145-S282 VanDerWaalsContact NH1-OG 3.1Å; Y231-S282 WeakPolarHBondContact CE2-O 3.5Å; Y231-S282 WeakPolarHBondContact OH-CB 3.4Å; Y231-S282 PolarHBondContact OH-O 2.9Å; D232-S282 WeakPolarHBondContact CB-OG 3.43Å; D232-S282 WeakPolarHBondContact OD2-CB 3.41Å; D232-S282 PolarHBondContact OD2-OG 3.18Å; K278-S282 PolarHBondContact O-N 3.43Å
283P97.3Very high97.4Very high46 Ų4655.4 Ų55.430%0.29930%0.304SS..  trans-69143.4-170.627.4-35.3000112.6T285 I286 N295P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.12Å; P283-I286 HydrophobicContact CG-CD1 4.11Å; P283-I286 HydrophobicContact CG-CG1 4.22Å; P283-I286 WeakPolarHBondContact O-CG1 3.4Å; P283-I286 PolarHBondContact O-N 3.14Å; P283-N295 WeakPolarHBondContact CA-OD1 3.31Å
284L98.3Very high97.3Very high0 Ų054.9 Ų54.90%031%0.306CS..G310 helixtrans-62.6-23-179.8-172.660.4000112.8Y231 I279 I286 C287 F288 Y291 N295 A300 Y303 I304Y231-L284 HydrophobicContact CD2-CD1 3.91Å; Y231-L284 HydrophobicContact CE2-CD1 4.5Å; Y231-L284 HydrophobicContact CG-CD1 4.07Å; I279-L284 HydrophobicContact CD1-CB 3.94Å; L284-I286 PolarHBondContact O-N 3.1Å; L284-I286 VanDerWaalsContact O-N 3.09Å; L284-C287 PolarHBondContact O-N 3.44Å; L284-F288 HydrophobicContact CD1-CD2 3.73Å; L284-F288 HydrophobicContact CD1-CE2 4.1Å; L284-F288 HydrophobicContact CD2-CD2 4.29Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.95Å; L284-Y291 HydrophobicContact CB-CD1 3.79Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.38Å; L284-Y291 HydrophobicContact CD2-CD1 3.86Å; L284-Y291 HydrophobicContact CD2-CD2 3.88Å; L284-Y291 HydrophobicContact CD2-CE1 3.92Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.81Å; L284-Y291 HydrophobicContact CG-CD1 4.19Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; L284-N295 PolarHBondContact N-OD1 2.9Å; L284-A300 HydrophobicContact CD2-CB 3.98Å; L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.49Å; L284-I304 HydrophobicContact CD1-CD1 3.93Å; L284-I304 HydrophobicContact CD1-CG1 4.21Å; L284-I304 HydrophobicContact CD2-CG1 4.45Å
285T98.1Very high97.3Very high58 Ų5856.3 Ų56.336%0.35631%0.314SS..G310 helixtrans-61.8-14.7178.252.30000114.5P283 C287 F288 P289 Y291P283-T285 PolarHBondContact O-N 3.48Å; P283-T285 VanDerWaalsContact O-N 3.12Å; T285-C287 VanDerWaalsContact C-N 3.28Å; T285-C287 PolarHBondContact O-N 2.65Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; T285-P289 WeakPolarHBondContact O-CA 3.35Å; T285-Y291 WeakPolarHBondContact CG2-O 3.48Å
286I96.8Very high97.3Very high74 Ų7462.8 Ų62.838%0.37934%0.342SS..G310 helixtrans-60.4-40.7168.9-67.8167.2000110.9D232 P283 L284D232-I286 HydrophobicContact CB-CD1 4.28Å; D232-I286 HydrophobicContact CB-CG2 4.25Å; P283-I286 HydrophobicContact CG-CD1 4.11Å; P283-I286 HydrophobicContact CG-CG1 4.22Å; P283-I286 WeakPolarHBondContact O-CG1 3.4Å; P283-I286 PolarHBondContact O-N 3.14Å; L284-I286 PolarHBondContact O-N 3.1Å; L284-I286 VanDerWaalsContact O-N 3.09Å
287C98Very high97.3Very high2 Ų259.6 Ų59.61%0.01433%0.326CS..THydrogen-bonded Turntrans-90.9-41.5178.3-171.20000111.9Y231 H245 L284 T285 P289Y231-C287 VanDerWaalsContact O-CB 3.31Å; Y231-C287 WeakPolarHBondContact O-CB 3.48Å; H245-C287 PolarHBondContact NE2-O 3.5Å; L284-C287 PolarHBondContact O-N 3.44Å; T285-C287 VanDerWaalsContact C-N 3.28Å; T285-C287 PolarHBondContact O-N 2.65Å; C287-P289 WeakPolarHBondContact O-CD 3.15Å
288F98.2Very high97.3Very high2 Ų259 Ų591%0.00933%0.327CS..  trans-125.381.5-173.2-57.6-73.6000110M244 H245 M248 L284 T285 E290 Y291 Y303 I304 K307M244-F288 HydrophobicContact CG-CE2 4.19Å; M244-F288 HydrophobicContact CG-CZ 3.92Å; H245-F288 AromaticContact CE1-CE1 3.98Å; M248-F288 HydrophobicContact CE-CE1 4.48Å; M248-F288 HydrophobicContact SD-CE1 3.78Å; M248-F288 HydrophobicContact SD-CZ 3.8Å; L284-F288 HydrophobicContact CD1-CD2 3.73Å; L284-F288 HydrophobicContact CD1-CE2 4.1Å; L284-F288 HydrophobicContact CD2-CD2 4.29Å; L284-F288 HydrophobicContact CG-CD2 3.86Å; L284-F288 PolarHBondContact O-N 2.95Å; T285-F288 WeakPolarHBondContact CA-O 3.35Å; F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.49Å; F288-E290 PolarHBondContact O-N 2.61Å; F288-Y291 VanDerWaalsContact O-CB 3.22Å; F288-Y291 WeakPolarHBondContact O-CB 3.46Å; F288-Y291 PolarHBondContact O-N 3.17Å; F288-Y303 HydrophobicContact CB-CE1 3.81Å; F288-Y303 HydrophobicContact CD1-CE1 4.17Å; F288-Y303 HydrophobicContact CD2-CD1 4.39Å; F288-Y303 HydrophobicContact CD2-CE1 4Å; F288-Y303 AromaticContact CG-CE1 3.73Å; F288-Y303 HydrophobicContact CG-CE1 3.73Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; F288-K307 HydrophobicContact CE1-CD 4.5Å; F288-K307 HydrophobicContact CE1-CG 4.22Å; F288-K307 HydrophobicContact CZ-CG 4.49Å
289P97.9Very high97.3Very high104 Ų10461.9 Ų61.968%0.67534%0.341SS*.THydrogen-bonded Turntrans-54.9-24.2-176.1-27.335.8000114.5T285 C287 Y291T285-P289 WeakPolarHBondContact O-CA 3.35Å; C287-P289 WeakPolarHBondContact O-CD 3.15Å; P289-Y291 VanDerWaalsContact C-N 3.34Å
290E97.1Very high97.4Very high102 Ų10261.8 Ų61.848%0.47734%0.34SS..THydrogen-bonded Turntrans-82-5.2177.677.4-79.6-164.100114.6F288 T292 Y303 K307F288-E290 VanDerWaalsContact C-OE2 3.24Å; F288-E290 WeakPolarHBondContact CA-OE2 3.49Å; F288-E290 PolarHBondContact O-N 2.61Å; E290-T292 PolarHBondContact O-N 3.46Å; E290-Y303 WeakPolarHBondContact CG-OH 3.46Å; E290-Y303 PolarHBondContact OE1-OH 3.25Å; E290-Y303 VanDerWaalsContact OE1-OH 3.13Å; E290-K307 IonicContact OE1-NZ 3.02Å; E290-K307 PolarHBondContact OE1-NZ 2.92Å
291Y98.1Very high97.4Very high17 Ų1756.9 Ų56.97%0.06731%0.31CS..  trans-68.3124.5179.1-179.8-109.9000111.4L284 T285 F288 P289 G293 A294 A300 Y303L284-Y291 HydrophobicContact CB-CD1 3.79Å; L284-Y291 HydrophobicContact CB-CE1 4.05Å; L284-Y291 HydrophobicContact CB-CG 4.38Å; L284-Y291 HydrophobicContact CD2-CD1 3.86Å; L284-Y291 HydrophobicContact CD2-CD2 3.88Å; L284-Y291 HydrophobicContact CD2-CE1 3.92Å; L284-Y291 HydrophobicContact CD2-CE2 3.96Å; L284-Y291 HydrophobicContact CD2-CG 3.81Å; L284-Y291 HydrophobicContact CG-CD1 4.19Å; L284-Y291 HydrophobicContact CG-CG 4.31Å; T285-Y291 WeakPolarHBondContact CG2-O 3.48Å; F288-Y291 VanDerWaalsContact O-CB 3.22Å; F288-Y291 WeakPolarHBondContact O-CB 3.46Å; F288-Y291 PolarHBondContact O-N 3.17Å; P289-Y291 VanDerWaalsContact C-N 3.34Å; Y291-G293 VanDerWaalsContact CE1-C 3.45Å; Y291-G293 WeakPolarHBondContact CE1-O 3.15Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å; Y291-A294 PolarHBondContact OH-O 3.15Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.86Å; Y291-Y303 AromaticContact CD2-CD1 3.71Å; Y291-Y303 HydrophobicContact CD2-CD1 3.71Å; Y291-Y303 AromaticContact CD2-CD2 3.54Å; Y291-Y303 HydrophobicContact CD2-CD2 3.54Å; Y291-Y303 AromaticContact CD2-CE1 3.92Å; Y291-Y303 HydrophobicContact CD2-CE1 3.92Å; Y291-Y303 AromaticContact CD2-CE2 3.75Å; Y291-Y303 HydrophobicContact CD2-CE2 3.75Å; Y291-Y303 AromaticContact CD2-CG 3.49Å; Y291-Y303 HydrophobicContact CD2-CG 3.49Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.49Å; Y291-Y303 AromaticContact CD2-CZ 3.91Å; Y291-Y303 HydrophobicContact CE2-CD1 4.17Å; Y291-Y303 AromaticContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CE2 4.46Å; Y291-Y303 AromaticContact CE2-CG 3.62Å; Y291-Y303 HydrophobicContact CE2-CG 3.62Å
292T97Very high97.6Very high142 Ų14254.1 Ų54.187%0.87131%0.305SS*.  trans-112.7-3.4-177.855.40000114E290E290-T292 PolarHBondContact O-N 3.46Å
293G95.9Very high97.7Very high30 Ų3056.2 Ų56.231%0.30931%0.313SS..SBendtrans-75.2174.8179.100000113.1Y291Y291-G293 VanDerWaalsContact CE1-C 3.45Å; Y291-G293 WeakPolarHBondContact CE1-O 3.15Å; Y291-G293 VanDerWaalsContact CZ-CA 3.43Å
294A96.5Very high97.7Very high35 Ų3554 Ų5429%0.28930%0.299SS..  trans-73.8147.2176.100000111.4Y291 K296 E299Y291-A294 PolarHBondContact OH-O 3.15Å; A294-K296 HydrophobicContact CB-CB 4.44Å; A294-K296 HydrophobicContact CB-CD 4.17Å; A294-K296 HydrophobicContact CB-CG 4.04Å; A294-K296 PolarHBondContact O-N 3.01Å; A294-E299 WeakPolarHBondContact CB-OE1 3.39Å; A294-E299 PolarHBondContact N-OE2 2.97Å
295N96.9Very high97.8Very high65 Ų6556.1 Ų56.135%0.34831%0.309SS..SBendtrans-74.561.8169.7-65.9-51.4000110.9I279 P283 L284I279-N295 HydrophobicContact CD1-CB 4.26Å; I279-N295 HydrophobicContact CG1-CB 4.14Å; I279-N295 WeakPolarHBondContact O-CB 3.39Å; P283-N295 WeakPolarHBondContact CA-OD1 3.31Å; L284-N295 PolarHBondContact N-OD1 2.9Å
296K97.6Very high97.8Very high136 Ų13655.4 Ų55.459%0.59131%0.306SS*.SBendtrans-121.5147.7176-68.7-178.6178.8177.10108.6A294 D298 E299 A300A294-K296 HydrophobicContact CB-CB 4.44Å; A294-K296 HydrophobicContact CB-CD 4.17Å; A294-K296 HydrophobicContact CB-CG 4.04Å; A294-K296 PolarHBondContact O-N 3.01Å; K296-D298 PolarHBondContact O-N 2.96Å; K296-E299 PolarHBondContact O-N 3.34Å; K296-A300 WeakPolarHBondContact O-CB 3.08Å; K296-A300 PolarHBondContact O-N 3.27Å
297Y98.2Very high97.8Very high40 Ų4054.3 Ų54.316%0.15730%0.298CS..Hα-helixtrans-48.6-58-175.7174.1-97.8000112.8K272 F275 E276 E299 A300 A301K272-Y297 HydrophobicContact CB-CE2 3.98Å; F275-Y297 AromaticContact CD1-CD2 3.69Å; F275-Y297 HydrophobicContact CD1-CD2 3.69Å; F275-Y297 AromaticContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CD1-CE2 3.93Å; F275-Y297 HydrophobicContact CE1-CD2 4.11Å; E276-Y297 HydrophobicContact CB-CD2 3.61Å; E276-Y297 HydrophobicContact CB-CE2 4.26Å; E276-Y297 HydrophobicContact CB-CG 4.19Å; E276-Y297 HydrophobicContact CG-CD2 4.12Å; E276-Y297 HydrophobicContact CG-CG 4.18Å; Y297-E299 PolarHBondContact O-N 3.14Å; Y297-A300 PolarHBondContact O-N 3.48Å; Y297-A301 HydrophobicContact CE2-CB 4.27Å; Y297-A301 WeakPolarHBondContact O-CB 3.46Å; Y297-A301 PolarHBondContact O-N 3.43Å
298D97.6Very high97.9Very high120 Ų12054.2 Ų54.264%0.64230%0.298SS*.Hα-helixtrans-60.7-47.6-172.8-64.2-40.6000113.1K296 S302K296-D298 PolarHBondContact O-N 2.96Å; D298-S302 WeakPolarHBondContact O-CB 3.36Å; D298-S302 PolarHBondContact O-N 3.14Å; D298-S302 PolarHBondContact O-OG 3.23Å
299E97.8Very high97.8Very high93 Ų9356.9 Ų56.944%0.43531%0.31SS..Hα-helixtrans-67.4-43.7-178.9-68.8179.6-124.700111.7A294 K296 Y297 Y303A294-E299 WeakPolarHBondContact CB-OE1 3.39Å; A294-E299 PolarHBondContact N-OE2 2.97Å; K296-E299 PolarHBondContact O-N 3.34Å; Y297-E299 PolarHBondContact O-N 3.14Å; E299-Y303 WeakPolarHBondContact O-CB 3.37Å; E299-Y303 PolarHBondContact O-N 3.39Å; E299-Y303 VanDerWaalsContact O-N 3.1Å
300A98.5Very high97.8Very high0 Ų056.6 Ų56.60%030%0.303CS..Hα-helixtrans-73.2-41.5-177.400000111.8F275 I279 L284 Y291 K296 Y297 Y303 I304F275-A300 HydrophobicContact CE1-CB 4.14Å; F275-A300 HydrophobicContact CZ-CB 3.68Å; I279-A300 HydrophobicContact CD1-CB 3.98Å; I279-A300 HydrophobicContact CG1-CB 3.89Å; L284-A300 HydrophobicContact CD2-CB 3.98Å; Y291-A300 WeakPolarHBondContact OH-CA 3.3Å; Y291-A300 PolarHBondContact OH-N 2.86Å; K296-A300 WeakPolarHBondContact O-CB 3.08Å; K296-A300 PolarHBondContact O-N 3.27Å; Y297-A300 PolarHBondContact O-N 3.48Å; A300-Y303 PolarHBondContact O-N 3.44Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å
301A98.6Very high97.9Very high1 Ų153.6 Ų53.61%0.00829%0.29CS..Hα-helixtrans-64.5-44176.300000111.4F275 Y297 Y303 I304 Q305 F324F275-A301 HydrophobicContact CE1-CB 3.91Å; Y297-A301 HydrophobicContact CE2-CB 4.27Å; Y297-A301 WeakPolarHBondContact O-CB 3.46Å; Y297-A301 PolarHBondContact O-N 3.43Å; A301-Y303 VanDerWaalsContact C-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.73Å; A301-I304 PolarHBondContact O-N 3.03Å; A301-Q305 WeakPolarHBondContact O-CB 3.1Å; A301-Q305 PolarHBondContact O-N 3.44Å; A301-F324 HydrophobicContact CB-CD1 4.43Å; A301-F324 HydrophobicContact CB-CE1 3.64Å; A301-F324 HydrophobicContact CB-CZ 4Å
302S98.3Very high97.8Very high67 Ų6753.1 Ų53.147%0.46929%0.289SS..Hα-helixtrans-63.1-36.8175.8-59.70000112.1D298 Q305 S306D298-S302 WeakPolarHBondContact O-CB 3.36Å; D298-S302 PolarHBondContact O-N 3.14Å; D298-S302 PolarHBondContact O-OG 3.23Å; S302-Q305 WeakPolarHBondContact O-CB 3.49Å; S302-Q305 PolarHBondContact O-N 2.89Å; S302-S306 PolarHBondContact O-N 3.41Å
303Y98.6Very high97.8Very high46 Ų4653.2 Ų53.218%0.1828%0.277CS..Hα-helixtrans-66.4-44.1174.7-177.3-91.5000112.3L284 F288 E290 Y291 E299 A300 A301 Q305 S306 K307L284-Y303 HydrophobicContact CD2-CD1 3.86Å; L284-Y303 HydrophobicContact CD2-CG 4.49Å; F288-Y303 HydrophobicContact CB-CE1 3.81Å; F288-Y303 HydrophobicContact CD1-CE1 4.17Å; F288-Y303 HydrophobicContact CD2-CD1 4.39Å; F288-Y303 HydrophobicContact CD2-CE1 4Å; F288-Y303 AromaticContact CG-CE1 3.73Å; F288-Y303 HydrophobicContact CG-CE1 3.73Å; E290-Y303 WeakPolarHBondContact CG-OH 3.46Å; E290-Y303 PolarHBondContact OE1-OH 3.25Å; E290-Y303 VanDerWaalsContact OE1-OH 3.13Å; Y291-Y303 AromaticContact CD2-CD1 3.71Å; Y291-Y303 HydrophobicContact CD2-CD1 3.71Å; Y291-Y303 AromaticContact CD2-CD2 3.54Å; Y291-Y303 HydrophobicContact CD2-CD2 3.54Å; Y291-Y303 AromaticContact CD2-CE1 3.92Å; Y291-Y303 HydrophobicContact CD2-CE1 3.92Å; Y291-Y303 AromaticContact CD2-CE2 3.75Å; Y291-Y303 HydrophobicContact CD2-CE2 3.75Å; Y291-Y303 AromaticContact CD2-CG 3.49Å; Y291-Y303 HydrophobicContact CD2-CG 3.49Å; Y291-Y303 VanDerWaalsContact CD2-CG 3.49Å; Y291-Y303 AromaticContact CD2-CZ 3.91Å; Y291-Y303 HydrophobicContact CE2-CD1 4.17Å; Y291-Y303 AromaticContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CD2 3.82Å; Y291-Y303 HydrophobicContact CE2-CE2 4.46Å; Y291-Y303 AromaticContact CE2-CG 3.62Å; Y291-Y303 HydrophobicContact CE2-CG 3.62Å; E299-Y303 WeakPolarHBondContact O-CB 3.37Å; E299-Y303 PolarHBondContact O-N 3.39Å; E299-Y303 VanDerWaalsContact O-N 3.1Å; A300-Y303 PolarHBondContact O-N 3.44Å; A301-Y303 VanDerWaalsContact C-N 3.3Å; A301-Y303 PolarHBondContact O-N 2.73Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.39Å; Y303-S306 PolarHBondContact O-N 3.44Å; Y303-S306 PolarHBondContact O-OG 3Å; Y303-K307 HydrophobicContact CD1-CG 4.2Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.41Å; Y303-K307 HydrophobicContact CE1-CG 3.92Å; Y303-K307 VanDerWaalsContact O-CG 3.31Å; Y303-K307 WeakPolarHBondContact O-CG 3.43Å; Y303-K307 PolarHBondContact O-N 3.45Å; Y303-K307 VanDerWaalsContact O-N 3.11Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 2.8Å
304I98.7Very high97.7Very high0 Ų054.2 Ų54.20%027%0.272CS..Hα-helixtrans-62.8-43.4175.2-65.6167.1000110L228 M244 F275 L284 F288 A300 A301 S306 K307 F308L228-I304 HydrophobicContact CD2-CB 4.14Å; L228-I304 HydrophobicContact CD2-CD1 3.97Å; L228-I304 HydrophobicContact CD2-CG2 3.7Å; M244-I304 HydrophobicContact CE-CD1 4.34Å; M244-I304 HydrophobicContact CE-CG2 4.16Å; M244-I304 HydrophobicContact SD-CG2 4.17Å; F275-I304 HydrophobicContact CE2-CD1 3.67Å; F275-I304 HydrophobicContact CZ-CD1 3.71Å; L284-I304 HydrophobicContact CD1-CD1 3.93Å; L284-I304 HydrophobicContact CD1-CG1 4.21Å; L284-I304 HydrophobicContact CD2-CG1 4.45Å; F288-I304 HydrophobicContact CE2-CG1 4.05Å; A300-I304 WeakPolarHBondContact O-CG1 3.46Å; A300-I304 PolarHBondContact O-N 3.38Å; A301-I304 PolarHBondContact O-N 3.03Å; I304-S306 PolarHBondContact O-N 3.35Å; I304-K307 WeakPolarHBondContact O-CB 3.44Å; I304-K307 PolarHBondContact O-N 3.26Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.88Å; I304-F308 WeakPolarHBondContact O-CD2 3.37Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.17Å
305Q98.6Very high97.5Very high45 Ų4558.3 Ų58.321%0.2128%0.283CS..Hα-helixtrans-53.3-52.4175.5170.2172.6-0.200111.8L269 A301 S302 Y303 K307 F308 E309 T322 F324L269-Q305 HydrophobicContact CD1-CB 3.65Å; L269-Q305 HydrophobicContact CD1-CG 4.23Å; A301-Q305 WeakPolarHBondContact O-CB 3.1Å; A301-Q305 PolarHBondContact O-N 3.44Å; S302-Q305 WeakPolarHBondContact O-CB 3.49Å; S302-Q305 PolarHBondContact O-N 2.89Å; Y303-Q305 VanDerWaalsContact C-N 3.32Å; Y303-Q305 PolarHBondContact O-N 3.39Å; Q305-K307 VanDerWaalsContact C-N 3.28Å; Q305-K307 PolarHBondContact O-N 2.8Å; Q305-F308 PolarHBondContact O-N 3.06Å; Q305-E309 HydrophobicContact CG-CG 4.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.48Å; Q305-E309 PolarHBondContact NE2-OE1 3.1Å; Q305-E309 PolarHBondContact O-N 2.94Å; Q305-T322 HydrophobicContact CG-CG2 3.97Å; Q305-F324 HydrophobicContact CB-CZ 4.12Å; Q305-F324 VanDerWaalsContact OE1-CZ 3.27Å
306S98Very high97.1Very high42 Ų4261.9 Ų61.929%0.29430%0.302SS..Hα-helixtrans-61.4-38.4-179.168.40000112S302 Y303 I304 F308 E309 D310S302-S306 PolarHBondContact O-N 3.41Å; Y303-S306 PolarHBondContact O-N 3.44Å; Y303-S306 PolarHBondContact O-OG 3Å; I304-S306 PolarHBondContact O-N 3.35Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.35Å; S306-E309 PolarHBondContact O-N 3.08Å; S306-D310 VanDerWaalsContact O-CB 3.24Å; S306-D310 WeakPolarHBondContact O-CB 3.46Å; S306-D310 PolarHBondContact O-N 2.84Å
307K98.5Very high96.8Very high51 Ų5160.5 Ų60.522%0.22231%0.305CS..Hα-helixtrans-58.8-36174.7-71.1-68.1-172169.70113.2M248 F288 E290 Y303 I304 Q305 L311M248-K307 HydrophobicContact CE-CB 3.84Å; M248-K307 HydrophobicContact SD-CB 4.41Å; F288-K307 HydrophobicContact CE1-CD 4.5Å; F288-K307 HydrophobicContact CE1-CG 4.22Å; F288-K307 HydrophobicContact CZ-CG 4.49Å; E290-K307 IonicContact OE1-NZ 3.02Å; E290-K307 PolarHBondContact OE1-NZ 2.92Å; Y303-K307 HydrophobicContact CD1-CG 4.2Å; Y303-K307 HydrophobicContact CE1-CD 4.36Å; Y303-K307 VanDerWaalsContact CE1-CE 3.41Å; Y303-K307 HydrophobicContact CE1-CG 3.92Å; Y303-K307 VanDerWaalsContact O-CG 3.31Å; Y303-K307 WeakPolarHBondContact O-CG 3.43Å; Y303-K307 PolarHBondContact O-N 3.45Å; Y303-K307 VanDerWaalsContact O-N 3.11Å; Y303-K307 WeakPolarHBondContact OH-CE 3.42Å; Y303-K307 PolarHBondContact OH-NZ 2.8Å; I304-K307 WeakPolarHBondContact O-CB 3.44Å; I304-K307 PolarHBondContact O-N 3.26Å; Q305-K307 VanDerWaalsContact C-N 3.28Å; Q305-K307 PolarHBondContact O-N 2.8Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å
308F98.6Very high96.4Very high0 Ų059.4 Ų59.40%030%0.301CS..Hα-helixtrans-77.1-45.7174.9-84-91.7000112V226 M244 M248 F251 L267 L269 I304 Q305 S306 D310 L311V226-F308 HydrophobicContact CB-CZ 4.27Å; V226-F308 HydrophobicContact CG1-CE1 4.31Å; V226-F308 HydrophobicContact CG1-CE2 3.81Å; V226-F308 HydrophobicContact CG1-CZ 3.55Å; V226-F308 HydrophobicContact CG2-CD1 4.09Å; V226-F308 HydrophobicContact CG2-CE1 3.52Å; V226-F308 HydrophobicContact CG2-CE2 4.3Å; V226-F308 HydrophobicContact CG2-CZ 3.66Å; M244-F308 HydrophobicContact SD-CE2 3.52Å; M244-F308 VanDerWaalsContact SD-CE2 3.52Å; M244-F308 HydrophobicContact SD-CZ 3.78Å; M248-F308 HydrophobicContact CB-CE1 4.43Å; M248-F308 HydrophobicContact CB-CZ 4.36Å; M248-F308 HydrophobicContact CG-CD1 4.42Å; M248-F308 HydrophobicContact CG-CD2 4.25Å; M248-F308 HydrophobicContact CG-CE1 3.86Å; M248-F308 HydrophobicContact CG-CE2 3.67Å; M248-F308 HydrophobicContact CG-CZ 3.44Å; M248-F308 VanDerWaalsContact CG-CZ 3.44Å; F251-F308 HydrophobicContact CB-CD1 3.79Å; F251-F308 HydrophobicContact CB-CE1 3.82Å; F251-F308 HydrophobicContact CD1-CB 4.39Å; F251-F308 AromaticContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD1-CD1 3.7Å; F251-F308 HydrophobicContact CD2-CD1 4.47Å; F251-F308 HydrophobicContact CE1-CB 4.39Å; F251-F308 HydrophobicContact CE1-CD1 4.39Å; F251-F308 VanDerWaalsContact CE1-O 3.26Å; F251-F308 WeakPolarHBondContact CE1-O 3.19Å; F251-F308 AromaticContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CD1 3.73Å; F251-F308 HydrophobicContact CG-CE1 4.24Å; L267-F308 HydrophobicContact CD1-CD1 4.23Å; L267-F308 HydrophobicContact CD2-CB 3.54Å; L267-F308 HydrophobicContact CD2-CG 4.15Å; L269-F308 HydrophobicContact CD2-CD2 4.37Å; I304-F308 HydrophobicContact CG2-CD2 3.95Å; I304-F308 HydrophobicContact CG2-CE2 3.88Å; I304-F308 WeakPolarHBondContact O-CD2 3.37Å; I304-F308 PolarHBondContact O-N 2.87Å; I304-F308 VanDerWaalsContact O-N 3.17Å; Q305-F308 PolarHBondContact O-N 3.06Å; S306-F308 VanDerWaalsContact C-N 3.28Å; S306-F308 PolarHBondContact O-N 3.35Å; F308-D310 PolarHBondContact O-N 3.33Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.86Å
309E97.8Very high96.1Very high58 Ų5859.6 Ų59.627%0.27130%0.298SS..Hα-helixtrans-62.2-32.7-180-70.7174.7174.700112.2Q305 S306 L311 N312 K315 T322Q305-E309 HydrophobicContact CG-CG 4.31Å; Q305-E309 WeakPolarHBondContact CG-OE1 3.48Å; Q305-E309 PolarHBondContact NE2-OE1 3.1Å; Q305-E309 PolarHBondContact O-N 2.94Å; S306-E309 PolarHBondContact O-N 3.08Å; E309-L311 PolarHBondContact O-N 3.38Å; E309-N312 WeakPolarHBondContact O-CB 3.36Å; E309-N312 PolarHBondContact O-N 2.86Å; E309-K315 WeakPolarHBondContact O-CE 3.43Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 3.34Å
310D97.6Very high95.9Very high99 Ų9956 Ų5653%0.52928%0.282SS..THydrogen-bonded Turntrans-67.8-17.5175-75.6-19.9000114.2S306 F308 N312 K315S306-D310 VanDerWaalsContact O-CB 3.24Å; S306-D310 WeakPolarHBondContact O-CB 3.46Å; S306-D310 PolarHBondContact O-N 2.84Å; F308-D310 PolarHBondContact O-N 3.33Å; D310-N312 VanDerWaalsContact C-N 3.28Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 2.96Å
311L98.1Very high95.8Very high38 Ų3858.3 Ų58.320%0.19929%0.291CS..THydrogen-bonded Turntrans-75.9-17.8174.6-61.8170000112.5M248 F251 D252 N256 K307 F308 E309 K313M248-L311 HydrophobicContact CB-CD1 3.92Å; M248-L311 HydrophobicContact CE-CD1 4.17Å; M248-L311 HydrophobicContact CG-CD1 4.29Å; M248-L311 WeakPolarHBondContact O-CD1 3.41Å; F251-L311 HydrophobicContact CD1-CB 4.13Å; F251-L311 HydrophobicContact CD1-CD1 4.01Å; F251-L311 HydrophobicContact CE1-CB 4.49Å; D252-L311 HydrophobicContact CB-CB 4.31Å; D252-L311 HydrophobicContact CB-CD1 4.36Å; D252-L311 HydrophobicContact CB-CD2 4.26Å; N256-L311 PolarHBondContact ND2-O 3.27Å; K307-L311 WeakPolarHBondContact O-CG 3.4Å; F308-L311 WeakPolarHBondContact O-CB 3.49Å; F308-L311 PolarHBondContact O-N 2.86Å; E309-L311 PolarHBondContact O-N 3.38Å; L311-K313 PolarHBondContact O-N 3.26Å
312N97.3Very high95.7Very high8 Ų859.6 Ų59.64%0.04330%0.299CS..  trans-70.9111.4174.4177.418.7000110.1E309 D310 R314 K315 K318 I320E309-N312 WeakPolarHBondContact O-CB 3.36Å; E309-N312 PolarHBondContact O-N 2.86Å; D310-N312 VanDerWaalsContact C-N 3.28Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.04Å; N312-R314 PolarHBondContact OD1-N 2.89Å; N312-K315 HydrophobicContact CB-CG 4.49Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å; N312-K318 PolarHBondContact ND2-O 3.09Å; N312-I320 HydrophobicContact CB-CG1 3.99Å
313K96.4Very high95.7Very high144 Ų14458.4 Ų58.463%0.62629%0.285SS*.THydrogen-bonded Turntrans-81.2-5.6-178.6-63.5170.9176117.20113.3D252 N256 L311D252-K313 IonicContact OD1-NZ 2.78Å; D252-K313 PolarHBondContact OD1-NZ 3.21Å; D252-K313 IonicContact OD2-NZ 2.66Å; D252-K313 PolarHBondContact OD2-NZ 3.45Å; N256-K313 HydrophobicContact CB-CD 4.46Å; N256-K313 PolarHBondContact ND2-NZ 3.32Å; N256-K313 WeakPolarHBondContact OD1-CB 3.2Å; N256-K313 PolarHBondContact OD1-N 3.5Å; L311-K313 PolarHBondContact O-N 3.26Å
314R93.6Very high95.7Very high51 Ų5158.7 Ų58.719%0.19229%0.288CS..THydrogen-bonded Turntrans-11941.3-174.3-67.1179.1-71.6-149.54.1111.6C255 N257 N312 D316 T317 K318C255-R314 PolarHBondContact O-NH2 3.37Å; N257-R314 PolarHBondContact O-NH2 3.15Å; N312-R314 VanDerWaalsContact C-N 3.26Å; N312-R314 PolarHBondContact O-N 3.04Å; N312-R314 PolarHBondContact OD1-N 2.89Å; R314-D316 VanDerWaalsContact C-OD1 3.29Å; R314-D316 PolarHBondContact O-N 2.59Å; R314-D316 VanDerWaalsContact O-N 3.08Å; R314-T317 PolarHBondContact O-N 3.48Å; R314-T317 PolarHBondContact O-OG1 3.43Å; R314-K318 HydrophobicContact CB-CB 3.95Å; R314-K318 WeakPolarHBondContact O-CA 3.47Å; R314-K318 WeakPolarHBondContact O-CB 3.5Å; R314-K318 PolarHBondContact O-N 2.94Å
315K91.3Very high95.6Very high120 Ų12058.7 Ų58.752%0.52229%0.288SS..THydrogen-bonded Turntrans-58.5-24.5-173.5-60.5-169.8175.3-173.90114.2E309 D310 N312E309-K315 WeakPolarHBondContact O-CE 3.43Å; D310-K315 IonicContact OD1-NZ 2.77Å; D310-K315 PolarHBondContact OD1-NZ 2.96Å; N312-K315 HydrophobicContact CB-CG 4.49Å; N312-K315 VanDerWaalsContact O-CG 3.22Å; N312-K315 WeakPolarHBondContact O-CG 3.49Å
316D90.4Very high95.6Very high141 Ų14157 Ų5775%0.75428%0.281SS*.THydrogen-bonded Turntrans-76.3-28178.460.8-42.5000113.5R314R314-D316 VanDerWaalsContact C-OD1 3.29Å; R314-D316 PolarHBondContact O-N 2.59Å; R314-D316 VanDerWaalsContact O-N 3.08Å
317T90.1Very high95.6Very high107 Ų10755.2 Ų55.266%0.65627%0.268SS*.THydrogen-bonded Turntrans-120.8-14.7-17346.10000113.5R314R314-T317 PolarHBondContact O-N 3.48Å; R314-T317 PolarHBondContact O-OG1 3.43Å
318K89.9Confident95.5Very high16 Ų1653.7 Ų53.77%0.0726%0.263CS..  trans-135.3113.8-174.2-174.4166.2-167.71220110.6F260 T261 T263 N312 R314F260-K318 PolarHBondContact O-NZ 2.98Å; T261-K318 PolarHBondContact O-NZ 3.4Å; T263-K318 WeakPolarHBondContact O-CE 3.36Å; T263-K318 PolarHBondContact O-NZ 3.17Å; N312-K318 PolarHBondContact ND2-O 3.09Å; R314-K318 HydrophobicContact CB-CB 3.95Å; R314-K318 WeakPolarHBondContact O-CA 3.47Å; R314-K318 WeakPolarHBondContact O-CB 3.5Å; R314-K318 PolarHBondContact O-N 2.94Å
319E90.6Very high95.5Very high124 Ų12456.9 Ų56.958%0.57928%0.28SS*.  trans-87.2141.5173.4-169.1171.2-159.300110.4Y321E319-Y321 HydrophobicContact CB-CE2 4.37Å; E319-Y321 VanDerWaalsContact CD-CE1 3.45Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 HydrophobicContact CG-CE2 4.47Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.35Å; E319-Y321 PolarHBondContact OE2-OH 3.11Å
320I95.1Very high95.4Very high19 Ų1956 Ų5610%0.09728%0.28CS..EExtended strand (participates in β ladder)trans-108119.5171.5-57.1-59.5000107.3F251 C255 I265 L267 N312 T322F251-I320 HydrophobicContact CZ-CD1 4.25Å; F251-I320 HydrophobicContact CZ-CG1 4.43Å; F251-I320 HydrophobicContact CZ-CG2 4.06Å; C255-I320 HydrophobicContact CB-CD1 4.47Å; I265-I320 HydrophobicContact CB-CD1 3.72Å; I265-I320 HydrophobicContact CD1-CD1 4.31Å; I265-I320 HydrophobicContact CG1-CD1 4.49Å; I265-I320 HydrophobicContact CG2-CD1 3.86Å; L267-I320 HydrophobicContact CB-CG2 3.74Å; L267-I320 HydrophobicContact CD2-CG2 4.44Å; N312-I320 HydrophobicContact CB-CG1 3.99Å; I320-T322 PolarHBondContact O-N 3Å
321Y95Very high95.4Very high48 Ų4859.4 Ų59.419%0.18829%0.29CS..EExtended strand (participates in β ladder)trans-89.2104.1179.9-60.7-78.4000110.1I265 I266 L267 E319 V343I265-Y321 PolarHBondContact O-N 3.39Å; I266-Y321 CarbonylContact C-O 3.54Å; I266-Y321 VanDerWaalsContact CA-O 3.3Å; I266-Y321 WeakPolarHBondContact CA-O 3.46Å; I266-Y321 WeakPolarHBondContact CG2-O 3.21Å; L267-Y321 PolarHBondContact N-O 3.3Å; E319-Y321 HydrophobicContact CB-CE2 4.37Å; E319-Y321 VanDerWaalsContact CD-CE1 3.45Å; E319-Y321 HydrophobicContact CG-CD1 4.45Å; E319-Y321 HydrophobicContact CG-CE1 3.94Å; E319-Y321 HydrophobicContact CG-CE2 4.47Å; E319-Y321 VanDerWaalsContact OE2-CE1 3.28Å; E319-Y321 WeakPolarHBondContact OE2-CE1 3.35Å; E319-Y321 PolarHBondContact OE2-OH 3.11Å; Y321-V343 HydrophobicContact CD1-CG1 4.1Å; Y321-V343 HydrophobicContact CD1-CG2 4.16Å; Y321-V343 HydrophobicContact CD2-CG1 3.69Å; Y321-V343 HydrophobicContact CE1-CG1 3.86Å; Y321-V343 HydrophobicContact CE1-CG2 4.22Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.04Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.49Å
322T97.4Very high95.4Very high28 Ų2858.6 Ų58.617%0.17229%0.285CS..EExtended strand (participates in β ladder)trans-95.4132.2-174.8-53.50000112.3L267 L269 Q305 E309 I320L267-T322 HydrophobicContact CB-CG2 4.33Å; L267-T322 HydrophobicContact CD2-CG2 3.96Å; L267-T322 HydrophobicContact CG-CG2 4.19Å; L267-T322 CarbonylContact O-C 3.39Å; L267-T322 WeakPolarHBondContact O-CA 3.41Å; L269-T322 HydrophobicContact CD1-CG2 3.56Å; L269-T322 HydrophobicContact CG-CG2 3.87Å; Q305-T322 HydrophobicContact CG-CG2 3.97Å; E309-T322 WeakPolarHBondContact OE1-CB 3.31Å; E309-T322 PolarHBondContact OE1-OG1 3.34Å; I320-T322 PolarHBondContact O-N 3Å
323H97.8Very high95.4Very high41 Ų4158.3 Ų58.319%0.1928%0.284CS..EExtended strand (participates in β ladder)trans-134.2131.9175.1-64.6-86.9000112L267 F268 L269 T325 V336L267-H323 PolarHBondContact O-N 2.88Å; F268-H323 HydrophobicContact CD1-CB 4.19Å; F268-H323 HydrophobicContact CE1-CB 4.3Å; L269-H323 PolarHBondContact N-O 3.32Å; H323-T325 HydrophobicContact CB-CG2 4.38Å; H323-V336 HydrophobicContact CB-CG1 3.58Å; H323-V336 HydrophobicContact CB-CG2 4.23Å
324F98.2Very high95.3Very high53 Ų5356.5 Ų56.523%0.23228%0.277CS..EExtended strand (participates in β ladder)trans-78.2120.5168.5-66.8-78.4000110.4L228 L269 K272 A301 Q305L228-F324 HydrophobicContact CD1-CD1 3.8Å; L228-F324 HydrophobicContact CD1-CE1 4.06Å; L269-F324 HydrophobicContact CB-CD1 3.78Å; L269-F324 HydrophobicContact CB-CE1 3.95Å; L269-F324 HydrophobicContact CD1-CD1 4.08Å; L269-F324 HydrophobicContact CD1-CE1 3.43Å; L269-F324 VanDerWaalsContact CD1-CE1 3.43Å; L269-F324 HydrophobicContact CD1-CZ 3.74Å; L269-F324 HydrophobicContact CG-CE1 4.35Å; L269-F324 WeakPolarHBondContact O-CA 3.48Å; K272-F324 HydrophobicContact CD-CB 4.11Å; A301-F324 HydrophobicContact CB-CD1 4.43Å; A301-F324 HydrophobicContact CB-CE1 3.64Å; A301-F324 HydrophobicContact CB-CZ 4Å; Q305-F324 HydrophobicContact CB-CZ 4.12Å; Q305-F324 VanDerWaalsContact OE1-CZ 3.27Å
325T98.2Very high95.4Very high0 Ų061 Ų610%030%0.299CS..  trans-123.6150.3-17248.20000112.9F268 L269 N270 K271 K272 H323 N332 V336F268-T325 HydrophobicContact CB-CG2 4.44Å; F268-T325 HydrophobicContact CD1-CG2 4.17Å; F268-T325 HydrophobicContact CD2-CG2 4.09Å; F268-T325 HydrophobicContact CE1-CG2 4.44Å; F268-T325 HydrophobicContact CE2-CG2 4.39Å; F268-T325 HydrophobicContact CG-CG2 3.99Å; L269-T325 PolarHBondContact O-N 3.42Å; N270-T325 CarbonylContact C-O 3.48Å; N270-T325 VanDerWaalsContact CA-O 3.29Å; N270-T325 WeakPolarHBondContact CA-O 3.45Å; N270-T325 WeakPolarHBondContact CA-OG1 3.44Å; N270-T325 VanDerWaalsContact CB-OG1 3.32Å; N270-T325 WeakPolarHBondContact CB-OG1 3.43Å; N270-T325 PolarHBondContact OD1-O 2.94Å; N270-T325 PolarHBondContact OD1-OG1 2.84Å; K271-T325 PolarHBondContact N-O 2.97Å; K272-T325 WeakPolarHBondContact CG-O 3.37Å; K272-T325 PolarHBondContact N-O 3.43Å; K272-T325 VanDerWaalsContact N-O 3.17Å; H323-T325 HydrophobicContact CB-CG2 4.38Å; T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.36Å; T325-V336 HydrophobicContact CG2-CB 4.19Å; T325-V336 HydrophobicContact CG2-CG1 3.83Å; T325-V336 HydrophobicContact CG2-CG2 3.99Å
326C98Very high95.6Very high9 Ų955.5 Ų55.56%0.06128%0.275CS..  trans-123.498.5160.8175.10000106.5K272 D273 T328 D329 N332K272-C326 HydrophobicContact CG-CB 4.25Å; D273-C326 VanDerWaalsContact CG-SG 3.55Å; C326-T328 PolarHBondContact O-N 3.39Å; C326-T328 PolarHBondContact SG-OG1 2.67Å; C326-D329 HydrophobicContact CB-CB 3.98Å; C326-D329 PolarHBondContact O-N 3.1Å; C326-N332 PolarHBondContact N-OD1 3.4Å
327A97.4Very high95.7Very high4 Ų448.9 Ų48.93%0.03324%0.24CC..THydrogen-bonded Turntrans-60.3-18.7-175.100000113.5T48 I49 Q52 N270T48-A327 HydrophobicContact CG2-CB 3.67Å; T48-A327 WeakPolarHBondContact CG2-O 3.22Å; I49-A327 HydrophobicContact CD1-CB 3.66Å; I49-A327 HydrophobicContact CG1-CB 4.26Å; Q52-A327 VanDerWaalsContact CG-O 3.22Å; Q52-A327 WeakPolarHBondContact CG-O 3.33Å; Q52-A327 PolarHBondContact NE2-O 2.77Å; N270-A327 WeakPolarHBondContact OD1-CB 3.15Å; N270-A327 PolarHBondContact OD1-N 3.13Å
328T96.7Very high95.9Very high19 Ų1946.5 Ų46.512%0.11722%0.223CC..THydrogen-bonded Turntrans-92.51.5176.4520000113.7T48 Q173 L176 R177 C326T48-T328 HydrophobicContact CG2-CG2 4.06Å; Q173-T328 PolarHBondContact NE2-O 2.72Å; Q173-T328 PolarHBondContact OE1-O 3.44Å; L176-T328 HydrophobicContact CB-CG2 4.47Å; R177-T328 HydrophobicContact CG-CG2 4.47Å; R177-T328 VanDerWaalsContact CZ-OG1 3.28Å; R177-T328 PolarHBondContact NH2-OG1 2.96Å; C326-T328 PolarHBondContact O-N 3.39Å; C326-T328 PolarHBondContact SG-OG1 2.67Å
329D97.8Very high96Very high67 Ų6747.2 Ų47.236%0.35823%0.232SC..  trans-105.6104.1171.2176-7.6000109C326 K331 N332 V333C326-D329 HydrophobicContact CB-CB 3.98Å; C326-D329 PolarHBondContact O-N 3.1Å; D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.99Å; D329-K331 WeakPolarHBondContact OD1-CB 3.44Å; D329-K331 PolarHBondContact OD1-N 3.09Å; D329-N332 HydrophobicContact CB-CB 3.9Å; D329-N332 PolarHBondContact O-N 2.95Å; D329-N332 PolarHBondContact OD1-N 2.99Å; D329-N332 VanDerWaalsContact OD1-N 3.17Å; D329-V333 WeakPolarHBondContact O-CG2 3.41Å; D329-V333 PolarHBondContact O-N 3.48Å
330T97.4Very high96Very high41 Ų4141.4 Ų41.425%0.25221%0.205SC..Hα-helixtrans-59.4-35.7-177.8-57.20000112.7Q52 I55 I56 V333 Q334Q52-T330 PolarHBondContact NE2-OG1 3.12Å; Q52-T330 PolarHBondContact OE1-OG1 3.21Å; I55-T330 HydrophobicContact CG2-CG2 3.97Å; I56-T330 HydrophobicContact CD1-CG2 4.25Å; I56-T330 HydrophobicContact CG1-CG2 3.76Å; T330-V333 PolarHBondContact O-N 3.21Å; T330-Q334 VanDerWaalsContact O-CB 3.27Å; T330-Q334 WeakPolarHBondContact O-CB 3.41Å; T330-Q334 PolarHBondContact O-N 2.71Å
331K97.1Very high95.8Very high170 Ų17040.5 Ų40.574%0.73920%0.2SC*.Hα-helixtrans-69-42.7178.9-67.2-178.5180177.50110.9D329 Q334 F335D329-K331 VanDerWaalsContact C-N 3.27Å; D329-K331 PolarHBondContact O-N 2.99Å; D329-K331 WeakPolarHBondContact OD1-CB 3.44Å; D329-K331 PolarHBondContact OD1-N 3.09Å; K331-Q334 PolarHBondContact O-N 2.89Å; K331-F335 WeakPolarHBondContact O-CB 3.45Å; K331-F335 PolarHBondContact O-N 2.69Å
332N97.3Very high95.5Very high20 Ų2042 Ų4211%0.10721%0.211CC..Hα-helixtrans-62.8-45.3176.4176.9-104.7000111.5T325 C326 D329 F335 V336T325-N332 VanDerWaalsContact CA-OD1 3.24Å; T325-N332 WeakPolarHBondContact CA-OD1 3.36Å; C326-N332 PolarHBondContact N-OD1 3.4Å; D329-N332 HydrophobicContact CB-CB 3.9Å; D329-N332 PolarHBondContact O-N 2.95Å; D329-N332 PolarHBondContact OD1-N 2.99Å; D329-N332 VanDerWaalsContact OD1-N 3.17Å; N332-F335 PolarHBondContact O-N 3.03Å; N332-V336 WeakPolarHBondContact O-CB 3.37Å; N332-V336 WeakPolarHBondContact O-CG2 3.27Å; N332-V336 PolarHBondContact O-N 3.24Å
333V97Very high95Very high2 Ų242 Ų421%0.01221%0.211CC..Hα-helixtrans-65.1-42.7178.8176.70000111.4I49 Q52 M53 I56 D329 T330 F335 V336 F337I49-V333 HydrophobicContact CD1-CG1 4.25Å; I49-V333 HydrophobicContact CD1-CG2 4.04Å; Q52-V333 HydrophobicContact CB-CB 4.37Å; Q52-V333 HydrophobicContact CB-CG1 3.75Å; Q52-V333 HydrophobicContact CG-CB 4.31Å; Q52-V333 HydrophobicContact CG-CG1 4.16Å; Q52-V333 HydrophobicContact CG-CG2 4.12Å; M53-V333 HydrophobicContact CE-CG1 3.8Å; I56-V333 HydrophobicContact CD1-CB 4.18Å; I56-V333 HydrophobicContact CD1-CG1 3.87Å; D329-V333 WeakPolarHBondContact O-CG2 3.41Å; D329-V333 PolarHBondContact O-N 3.48Å; T330-V333 PolarHBondContact O-N 3.21Å; V333-F335 PolarHBondContact O-N 3.05Å; V333-V336 PolarHBondContact O-N 3.42Å; V333-F337 WeakPolarHBondContact O-CB 3.21Å; V333-F337 PolarHBondContact O-N 3.02Å
334Q95.9Very high94.4Very high106 Ų10640.1 Ų40.150%0.49520%0.203SC..Hα-helixtrans-59.4-48176.6-174.1174.722.700111.7I56 T330 K331 F337 D338I56-Q334 HydrophobicContact CD1-CB 3.96Å; I56-Q334 HydrophobicContact CG1-CB 4.43Å; I56-Q334 HydrophobicContact CG2-CB 4.25Å; I56-Q334 HydrophobicContact CG2-CG 3.88Å; T330-Q334 VanDerWaalsContact O-CB 3.27Å; T330-Q334 WeakPolarHBondContact O-CB 3.41Å; T330-Q334 PolarHBondContact O-N 2.71Å; K331-Q334 PolarHBondContact O-N 2.89Å; Q334-F337 PolarHBondContact O-N 3Å; Q334-D338 WeakPolarHBondContact O-CB 3.39Å; Q334-D338 PolarHBondContact O-N 2.99Å
335F95.7Very high93.8Very high146 Ų14639.8 Ų39.864%0.6420%0.203SC*.Hα-helixtrans-61.4-46.5178174.6-97.2000112.5K331 N332 V333 D338 A339K331-F335 WeakPolarHBondContact O-CB 3.45Å; K331-F335 PolarHBondContact O-N 2.69Å; N332-F335 PolarHBondContact O-N 3.03Å; V333-F335 PolarHBondContact O-N 3.05Å; F335-D338 PolarHBondContact O-N 3.4Å; F335-A339 PolarHBondContact O-N 3.21Å
336V94.2Very high93.1Very high4 Ų445 Ų452%0.02423%0.226CC..Hα-helixtrans-67.3-41.9-179.5171.20000110.9F268 H323 T325 N332 V333 D338 A339 V340F268-V336 HydrophobicContact CD1-CG1 4.28Å; F268-V336 HydrophobicContact CE1-CG1 3.42Å; F268-V336 VanDerWaalsContact CE1-CG1 3.42Å; F268-V336 HydrophobicContact CE2-CG1 4.48Å; F268-V336 HydrophobicContact CZ-CG1 3.56Å; H323-V336 HydrophobicContact CB-CG1 3.58Å; H323-V336 HydrophobicContact CB-CG2 4.23Å; T325-V336 HydrophobicContact CG2-CB 4.19Å; T325-V336 HydrophobicContact CG2-CG1 3.83Å; T325-V336 HydrophobicContact CG2-CG2 3.99Å; N332-V336 WeakPolarHBondContact O-CB 3.37Å; N332-V336 WeakPolarHBondContact O-CG2 3.27Å; N332-V336 PolarHBondContact O-N 3.24Å; V333-V336 PolarHBondContact O-N 3.42Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.45Å; V336-A339 PolarHBondContact O-N 2.67Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.43Å
337F93.4Very high92.2Very high2 Ų245.8 Ų45.81%0.00923%0.229CC..Hα-helixtrans-67.4-34.1-179.8-164.2-95.1000112.4L36 M53 H57 F190 F192 F197 M199 I223 V333 Q334 V340 T341L36-F337 HydrophobicContact CD1-CE2 3.75Å; L36-F337 HydrophobicContact CD1-CZ 3.73Å; M53-F337 HydrophobicContact CE-CB 4.32Å; M53-F337 HydrophobicContact CE-CD1 4.45Å; M53-F337 HydrophobicContact CE-CD2 3.98Å; M53-F337 HydrophobicContact CE-CE2 4.48Å; M53-F337 HydrophobicContact CE-CG 3.98Å; M53-F337 HydrophobicContact SD-CD1 4.02Å; M53-F337 HydrophobicContact SD-CD2 3.74Å; M53-F337 HydrophobicContact SD-CE1 3.95Å; M53-F337 HydrophobicContact SD-CE2 3.65Å; M53-F337 HydrophobicContact SD-CG 3.94Å; M53-F337 HydrophobicContact SD-CZ 3.77Å; H57-F337 AromaticContact NE2-CD1 3.87Å; F190-F337 AromaticContact CE2-CE1 3.74Å; F190-F337 HydrophobicContact CE2-CE1 3.74Å; F190-F337 AromaticContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CE2-CZ 3.76Å; F190-F337 HydrophobicContact CZ-CE1 4.04Å; F190-F337 HydrophobicContact CZ-CE2 4.35Å; F190-F337 AromaticContact CZ-CZ 3.57Å; F190-F337 HydrophobicContact CZ-CZ 3.57Å; F192-F337 HydrophobicContact CD1-CD1 4.19Å; F192-F337 AromaticContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CD1-CE1 3.98Å; F192-F337 HydrophobicContact CE1-CD1 4.24Å; F192-F337 HydrophobicContact CE1-CE1 4.45Å; F197-F337 HydrophobicContact CD1-CZ 4.2Å; F197-F337 HydrophobicContact CE1-CE1 4.43Å; F197-F337 HydrophobicContact CE1-CZ 4.01Å; F197-F337 HydrophobicContact CZ-CE1 4.35Å; F197-F337 HydrophobicContact CZ-CZ 4.39Å; M199-F337 HydrophobicContact CE-CE2 3.9Å; M199-F337 HydrophobicContact CE-CZ 4.37Å; I223-F337 HydrophobicContact CD1-CE2 4.32Å; V333-F337 WeakPolarHBondContact O-CB 3.21Å; V333-F337 PolarHBondContact O-N 3.02Å; Q334-F337 PolarHBondContact O-N 3Å; F337-V340 PolarHBondContact O-N 2.68Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.42Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.42Å; F337-T341 PolarHBondContact O-OG1 3.17Å
338D93.9Very high91.2Very high58 Ų5847.7 Ų47.731%0.3124%0.239SC..Hα-helixtrans-61-48.8172.4-16843.4000111.6F192 K193 Q334 F335 V336 V340 T341 D342F192-D338 WeakPolarHBondContact CZ-OD1 3.48Å; K193-D338 WeakPolarHBondContact CE-OD1 3.18Å; K193-D338 IonicContact NZ-OD1 3.53Å; K193-D338 PolarHBondContact NZ-OD1 2.93Å; K193-D338 IonicContact NZ-OD2 2.87Å; Q334-D338 WeakPolarHBondContact O-CB 3.39Å; Q334-D338 PolarHBondContact O-N 2.99Å; F335-D338 PolarHBondContact O-N 3.4Å; V336-D338 VanDerWaalsContact C-N 3.32Å; V336-D338 PolarHBondContact O-N 3.45Å; D338-V340 PolarHBondContact O-N 3.27Å; D338-T341 WeakPolarHBondContact O-CB 3.26Å; D338-T341 PolarHBondContact O-N 2.76Å; D338-D342 PolarHBondContact O-N 3.35Å
339A91.7Very high90Very high31 Ų3150.1 Ų50.126%0.25625%0.251SS..Hα-helixtrans-61.7-41.2176.500000112.6F335 V336 T341 D342 V343F335-A339 PolarHBondContact O-N 3.21Å; V336-A339 PolarHBondContact O-N 2.67Å; A339-T341 VanDerWaalsContact C-N 3.34Å; A339-D342 PolarHBondContact O-N 3.12Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.4Å
340V90.6Very high88.8Confident1 Ų151.8 Ų51.81%0.00626%0.255CS..Hα-helixtrans-63.3-41.3175.6167.70000111.3I266 F268 V336 F337 D338 D342 V343 I344I266-V340 HydrophobicContact CB-CG2 4.5Å; I266-V340 HydrophobicContact CD1-CG1 3.75Å; I266-V340 HydrophobicContact CG1-CG1 3.86Å; I266-V340 HydrophobicContact CG1-CG2 4.19Å; I266-V340 HydrophobicContact CG2-CG2 3.61Å; F268-V340 HydrophobicContact CE1-CG2 3.92Å; F268-V340 HydrophobicContact CZ-CG2 4.22Å; V336-V340 HydrophobicContact CG1-CG2 4.31Å; V336-V340 VanDerWaalsContact O-CG2 3.27Å; V336-V340 WeakPolarHBondContact O-CG2 3.29Å; V336-V340 PolarHBondContact O-N 3.43Å; F337-V340 PolarHBondContact O-N 2.68Å; D338-V340 PolarHBondContact O-N 3.27Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.33Å; V340-V343 PolarHBondContact O-N 3.26Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CG1 3.36Å; V340-I344 PolarHBondContact O-N 3.19Å
341T91.5Very high87.4Confident0 Ų056.2 Ų56.20%028%0.277CS..Hα-helixtrans-63.5-41179-61.70000111.3F192 K193 L195 F197 F337 D338 A339 V343 I344 I345F192-T341 HydrophobicContact CD1-CG2 3.85Å; F192-T341 HydrophobicContact CE1-CG2 3.81Å; F192-T341 WeakPolarHBondContact CE1-OG1 3.43Å; K193-T341 HydrophobicContact CD-CG2 3.92Å; L195-T341 HydrophobicContact CD1-CG2 4.36Å; F197-T341 HydrophobicContact CZ-CG2 3.93Å; F337-T341 WeakPolarHBondContact CE1-OG1 3.42Å; F337-T341 WeakPolarHBondContact O-CB 3.25Å; F337-T341 PolarHBondContact O-N 3.42Å; F337-T341 PolarHBondContact O-OG1 3.17Å; D338-T341 WeakPolarHBondContact O-CB 3.26Å; D338-T341 PolarHBondContact O-N 2.76Å; A339-T341 VanDerWaalsContact C-N 3.34Å; T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 3.25Å; T341-I344 PolarHBondContact O-N 3.21Å; T341-I345 HydrophobicContact CG2-CD1 3.73Å; T341-I345 HydrophobicContact CG2-CG1 4.3Å; T341-I345 WeakPolarHBondContact O-CB 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.31Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.69Å
342D89Confident85.8Confident79 Ų7952.1 Ų52.142%0.42227%0.269SS..Hα-helixtrans-63.1-37.3176.8-72.6-16.3000112.4K193 D338 A339 V340 K346K193-D342 IonicContact NZ-OD1 3.93Å; K193-D342 PolarHBondContact NZ-OD1 2.85Å; K193-D342 IonicContact NZ-OD2 3.5Å; D338-D342 PolarHBondContact O-N 3.35Å; A339-D342 PolarHBondContact O-N 3.12Å; V340-D342 VanDerWaalsContact C-N 3.34Å; V340-D342 PolarHBondContact O-N 3.33Å; D342-K346 VanDerWaalsContact O-CB 3.29Å; D342-K346 WeakPolarHBondContact O-CB 3.47Å; D342-K346 PolarHBondContact O-N 2.8Å
343V85.5Confident83.8Confident29 Ų2954.1 Ų54.118%0.17629%0.294CS..Hα-helixtrans-64.9-45.2173.7172.40000111.3Y321 A339 V340 T341 K346 N347Y321-V343 HydrophobicContact CD1-CG1 4.1Å; Y321-V343 HydrophobicContact CD1-CG2 4.16Å; Y321-V343 HydrophobicContact CD2-CG1 3.69Å; Y321-V343 HydrophobicContact CE1-CG1 3.86Å; Y321-V343 HydrophobicContact CE1-CG2 4.22Å; Y321-V343 HydrophobicContact CE2-CG1 3.39Å; Y321-V343 HydrophobicContact CG-CG1 4.04Å; Y321-V343 VanDerWaalsContact CZ-CG1 3.49Å; A339-V343 WeakPolarHBondContact O-CG2 3.45Å; A339-V343 PolarHBondContact O-N 3.4Å; V340-V343 PolarHBondContact O-N 3.26Å; T341-V343 VanDerWaalsContact C-N 3.31Å; T341-V343 PolarHBondContact O-N 3.25Å; V343-K346 PolarHBondContact O-N 3.18Å; V343-N347 PolarHBondContact O-N 3.2Å
344I86.7Confident81.8Confident2 Ų260.3 Ų60.31%0.0133%0.326CS..Hα-helixtrans-62.2-46.9178.7-68165.2000110.6V34 L36 T220 A221 V340 T341 K346 N347 N348V34-I344 HydrophobicContact CG1-CG2 3.99Å; V34-I344 HydrophobicContact CG2-CG2 4.27Å; L36-I344 HydrophobicContact CD2-CD1 3.74Å; T220-I344 HydrophobicContact CG2-CG2 3.95Å; A221-I344 HydrophobicContact CB-CD1 3.92Å; A221-I344 HydrophobicContact CB-CG1 3.97Å; V340-I344 HydrophobicContact CG1-CD1 3.74Å; V340-I344 HydrophobicContact CG1-CG1 4.42Å; V340-I344 WeakPolarHBondContact O-CG1 3.36Å; V340-I344 PolarHBondContact O-N 3.19Å; T341-I344 PolarHBondContact O-N 3.21Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.3Å; I344-N347 PolarHBondContact O-N 2.93Å; I344-N348 WeakPolarHBondContact O-CB 3.29Å; I344-N348 PolarHBondContact O-N 2.96Å
345I85.2Confident79.3Confident46 Ų4664.6 Ų64.624%0.23634%0.344CS..Hα-helixtrans-58.1-47.8176.9-72166.7000110.2K193 L195 T341 N347 N348 L349K193-I345 HydrophobicContact CD-CD1 4.32Å; L195-I345 HydrophobicContact CD1-CD1 3.9Å; L195-I345 HydrophobicContact CD1-CG1 3.57Å; T341-I345 HydrophobicContact CG2-CD1 3.73Å; T341-I345 HydrophobicContact CG2-CG1 4.3Å; T341-I345 WeakPolarHBondContact O-CB 3.48Å; T341-I345 VanDerWaalsContact O-CG1 3.31Å; T341-I345 WeakPolarHBondContact O-CG1 3.45Å; T341-I345 PolarHBondContact O-N 2.69Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3.03Å; I345-N348 PolarHBondContact O-N 3.33Å; I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.28Å; I345-L349 WeakPolarHBondContact O-CB 3.44Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.45Å
346K83Confident78.5Confident109 Ų10960.6 Ų60.647%0.47433%0.329SS..Hα-helixtrans-59.2-40.5179.7-176.3-178.6-179.9-176.50112.2D342 V343 I344 K350D342-K346 VanDerWaalsContact O-CB 3.29Å; D342-K346 WeakPolarHBondContact O-CB 3.47Å; D342-K346 PolarHBondContact O-N 2.8Å; V343-K346 PolarHBondContact O-N 3.18Å; I344-K346 VanDerWaalsContact C-N 3.33Å; I344-K346 PolarHBondContact O-N 3.3Å; K346-K350 WeakPolarHBondContact O-CG 3.3Å; K346-K350 PolarHBondContact O-N 3.26Å
347N79.7Confident77.6Confident26 Ų2663.5 Ų63.514%0.13935%0.345CS..Hα-helixtrans-73.5-43.9179.3-70.8-13.5000111.7S264 V343 I344 I345 L349 K350 D351S264-N347 PolarHBondContact OG-ND2 3.47Å; V343-N347 PolarHBondContact O-N 3.2Å; I344-N347 PolarHBondContact O-N 2.93Å; I345-N347 VanDerWaalsContact C-N 3.3Å; I345-N347 PolarHBondContact O-N 3.03Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.88Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 2.76Å; N347-K350 VanDerWaalsContact O-N 3.16Å; N347-D351 PolarHBondContact O-N 2.96Å
348N75.4Confident76.8Confident44 Ų4466.9 Ų66.924%0.23536%0.364CS..Hα-helixtrans-58.9-39.8175-78.2-19000112.6T220 I344 I345 D351 C352T220-N348 WeakPolarHBondContact CG2-OD1 3.36Å; I344-N348 WeakPolarHBondContact O-CB 3.29Å; I344-N348 PolarHBondContact O-N 2.96Å; I345-N348 PolarHBondContact O-N 3.33Å; N348-D351 PolarHBondContact O-N 3.4Å; N348-C352 PolarHBondContact O-N 3.01Å; N348-C352 VanDerWaalsContact O-N 3.12Å; N348-C352 PolarHBondContact O-SG 2.9Å
349L72.7Confident75.8Confident69 Ų6967.5 Ų67.536%0.36137%0.367SS..Hα-helixtrans-67.6-36.1177.5-72.3174.4000112.9I345 N347 C352 G353 L354I345-L349 HydrophobicContact CG2-CD1 3.77Å; I345-L349 HydrophobicContact CG2-CG 4.28Å; I345-L349 WeakPolarHBondContact O-CB 3.44Å; I345-L349 VanDerWaalsContact O-CG 3.29Å; I345-L349 WeakPolarHBondContact O-CG 3.49Å; I345-L349 PolarHBondContact O-N 3.45Å; N347-L349 VanDerWaalsContact C-N 3.31Å; N347-L349 PolarHBondContact O-N 2.88Å; L349-C352 PolarHBondContact O-N 3.42Å; L349-G353 PolarHBondContact O-N 2.66Å; L349-L354 HydrophobicContact CD2-CB 4.45Å; L349-L354 HydrophobicContact CD2-CD1 4Å; L349-L354 PolarHBondContact O-N 2.96Å; L349-L354 VanDerWaalsContact O-N 3.09Å
350K71.1Confident74.8Confident102 Ų10269.8 Ų69.844%0.44337%0.374SS..Hα-helixtrans-64-44.2173.1-75.1172.6176.8-179.20111.3K346 N347 C352 G353 F355K346-K350 WeakPolarHBondContact O-CG 3.3Å; K346-K350 PolarHBondContact O-N 3.26Å; N347-K350 WeakPolarHBondContact O-CB 3.44Å; N347-K350 PolarHBondContact O-N 2.76Å; N347-K350 VanDerWaalsContact O-N 3.16Å; K350-C352 PolarHBondContact O-N 2.71Å; K350-G353 PolarHBondContact O-N 2.89Å; K350-F355 HydrophobicContact CG-CB 4.12Å
351D68.8Low73.7Confident135 Ų13574.3 Ų74.372%0.72240%0.398SS*.Hα-helixtrans-64.9-29.5179.8-66.5-17.7000112N347 N348 G353N347-D351 PolarHBondContact O-N 2.96Å; N348-D351 PolarHBondContact O-N 3.4Å; D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.02Å
352C64.6Low72.4Confident84 Ų8479.6 Ų79.657%0.56843%0.427SS*.THydrogen-bonded Turntrans-80.1-3173.6-63.80000114.3N348 L349 K350 L354N348-C352 PolarHBondContact O-N 3.01Å; N348-C352 VanDerWaalsContact O-N 3.12Å; N348-C352 PolarHBondContact O-SG 2.9Å; L349-C352 PolarHBondContact O-N 3.42Å; K350-C352 PolarHBondContact O-N 2.71Å; C352-L354 VanDerWaalsContact C-N 3.33Å; C352-L354 HydrophobicContact CB-CD1 4.14Å; C352-L354 HydrophobicContact CB-CG 4.27Å; C352-L354 PolarHBondContact O-N 3.1Å
353G55.3Low71.2Confident62 Ų6279.7 Ų79.764%0.63943%0.427SS*.THydrogen-bonded Turntrans71.223-178.400000114.8L349 K350 D351L349-G353 PolarHBondContact O-N 2.66Å; K350-G353 PolarHBondContact O-N 2.89Å; D351-G353 VanDerWaalsContact C-N 3.3Å; D351-G353 PolarHBondContact O-N 3.02Å
354L53.8Low70Confident131 Ų13183.9 Ų83.969%0.68645%0.448SS*.  trans-95.310.6-178.7-68.6170.9000113.6L349 C352L349-L354 HydrophobicContact CD2-CB 4.45Å; L349-L354 HydrophobicContact CD2-CD1 4Å; L349-L354 PolarHBondContact O-N 2.96Å; L349-L354 VanDerWaalsContact O-N 3.09Å; C352-L354 VanDerWaalsContact C-N 3.33Å; C352-L354 HydrophobicContact CB-CD1 4.14Å; C352-L354 HydrophobicContact CB-CG 4.27Å; C352-L354 PolarHBondContact O-N 3.1Å
355F43.3Very low68.4Low197 Ų19791.4 Ų91.486%0.86449%0.488SS*.  trans-125.80-177.2-145.2-83.7000113.3K350K350-F355 HydrophobicContact CG-CB 4.12Å

Retrieved 355 of 355 residues in 2282.8 ms (Link to these results)