A0A087XB59_POEFO Loading...

Cholesterol 24-hydroxylase

P450 monooxygenase that plays a major role in cholesterol homeostasis in the brain. Primarily catalyzes the hydroxylation (with S stereochemistry) at C-24 of cholesterol side chain, triggering cholesterol diffusion out of neurons and its further degradation. By promoting constant cholesterol elimination in neurons, may activate the mevalonate pathway and coordinate the synthesis of new cholesterol and nonsterol isoprenoids involved in synaptic activity and learning. Further hydroxylates cholesterol derivatives and hormone steroids on both the ring and side chain of these molecules, converting them into active oxysterols involved in lipid signaling and biosynthesis. Acts as an epoxidase converting cholesta-5,24-dien-3beta-ol/desmosterol into (24S),25-epoxycholesterol, an abundant lipid ligand of nuclear NR1H2 and NR1H3 receptors shown to promote neurogenesis in developing brain. May also catalyze the oxidative metabolism of xenobiotics, such as clotrimazole.

AlphaFold DB , UniProt , Accession A0A087XB59, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 508 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
1V58.6Low63.1Low166 Ų166109.5 Ų109.5100%1.00663%0.63SS**  0-54.90-173.10000112.1F3 M4 A5V1-F3 PolarHBondContact O-N 2.93Å; V1-M4 PolarHBondContact O-N 3.15Å; V1-A5 PolarHBondContact O-N 3.36Å; V1-A5 VanDerWaalsContact O-N 3.17Å
2A57.8Low64.3Low78 Ų78105.7 Ų105.765%0.64561%0.614SS**Hα-helixtrans-57.5-39.9179.500000114.7M4 A5 V6A2-M4 PolarHBondContact O-N 2.83Å; A2-A5 PolarHBondContact O-N 3.27Å; A2-V6 WeakPolarHBondContact O-CG2 3.35Å; A2-V6 PolarHBondContact O-N 3.38Å
3F56.8Low65.4Low190 Ų190103.5 Ų103.583%0.83360%0.603SS**Hα-helixtrans-66-36.4179-134.8-93.7000113.3V1 F7V1-F3 PolarHBondContact O-N 2.93Å; F3-F7 WeakPolarHBondContact O-CB 3.46Å; F3-F7 PolarHBondContact O-N 2.97Å; F3-F7 VanDerWaalsContact O-N 3.15Å
4M59.7Low66.5Low157 Ų15797.9 Ų97.977%0.77358%0.579SS**Hα-helixtrans-72-35.5176.1-71-172.1-167.700111.9V1 A2 F7 A8V1-M4 PolarHBondContact O-N 3.15Å; A2-M4 PolarHBondContact O-N 2.83Å; M4-F7 PolarHBondContact O-N 2.64Å; M4-A8 WeakPolarHBondContact O-CB 3.4Å; M4-A8 PolarHBondContact O-N 3.29Å
5A61Low67.5Low55 Ų5595.3 Ų95.346%0.45557%0.573SS.*Hα-helixtrans-67.2-42.4176.900000111.9V1 A2 A8 V9V1-A5 PolarHBondContact O-N 3.36Å; V1-A5 VanDerWaalsContact O-N 3.17Å; A2-A5 PolarHBondContact O-N 3.27Å; A5-A8 PolarHBondContact O-N 3.39Å; A5-V9 WeakPolarHBondContact O-CG2 3.36Å; A5-V9 PolarHBondContact O-N 2.98Å
6V64.4Low68.6Low87 Ų8794.2 Ų94.253%0.52757%0.566SS.*Hα-helixtrans-64.6-40.5175.5173.70000111.3A2 V9 L10A2-V6 WeakPolarHBondContact O-CG2 3.35Å; A2-V6 PolarHBondContact O-N 3.38Å; V6-V9 PolarHBondContact O-N 2.95Å; V6-L10 HydrophobicContact CG1-CD1 3.81Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CB 3.31Å; V6-L10 VanDerWaalsContact O-CG 3.3Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 2.76Å
7F67.3Low69.8Low152 Ų15293.2 Ų93.267%0.66756%0.56SS**Hα-helixtrans-64.6-38.8175.9-170.7-97.5000112.8F3 M4 L10 S11F3-F7 WeakPolarHBondContact O-CB 3.46Å; F3-F7 PolarHBondContact O-N 2.97Å; F3-F7 VanDerWaalsContact O-N 3.15Å; M4-F7 PolarHBondContact O-N 2.64Å; F7-L10 PolarHBondContact O-N 3.33Å; F7-S11 WeakPolarHBondContact O-CB 3.44Å; F7-S11 PolarHBondContact O-N 3.03Å; F7-S11 PolarHBondContact O-OG 3.31Å
8A65.5Low70.8Confident54 Ų5496.4 Ų96.445%0.44657%0.566SS.*Hα-helixtrans-68.5-35.5176.200000113.2M4 A5 S11 S12M4-A8 WeakPolarHBondContact O-CB 3.4Å; M4-A8 PolarHBondContact O-N 3.29Å; A5-A8 PolarHBondContact O-N 3.39Å; A8-S11 WeakPolarHBondContact CA-OG 3.31Å; A8-S11 PolarHBondContact O-OG 3.31Å; A8-S11 VanDerWaalsContact O-OG 3.04Å; A8-S12 WeakPolarHBondContact O-CB 3.37Å; A8-S12 PolarHBondContact O-N 2.83Å; A8-S12 VanDerWaalsContact O-N 3.12Å; A8-S12 PolarHBondContact O-OG 3.26Å
9V66.9Low71.8Confident89 Ų8994.6 Ų94.654%0.53956%0.563SS.*Hα-helixtrans-70.6-42.5173.7174.40000110.7A5 V6 S11 S12 V13A5-V9 WeakPolarHBondContact O-CG2 3.36Å; A5-V9 PolarHBondContact O-N 2.98Å; V6-V9 PolarHBondContact O-N 2.95Å; V9-S11 PolarHBondContact O-N 3.18Å; V9-S12 WeakPolarHBondContact CA-OG 3.49Å; V9-S12 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-OG 3.41Å; V9-V13 HydrophobicContact CG1-CG2 4.4Å; V9-V13 WeakPolarHBondContact O-CB 3.14Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.28Å; V9-V13 PolarHBondContact O-N 3.28Å
10L65.3Low72.8Confident114 Ų11498.4 Ų98.460%0.59757%0.567SS**Hα-helixtrans-65.9-37176.9-73.1168.8000112.6V6 F7 G14V6-L10 HydrophobicContact CG1-CD1 3.81Å; V6-L10 HydrophobicContact CG1-CG 4.38Å; V6-L10 WeakPolarHBondContact O-CB 3.31Å; V6-L10 VanDerWaalsContact O-CG 3.3Å; V6-L10 WeakPolarHBondContact O-CG 3.48Å; V6-L10 PolarHBondContact O-N 2.76Å; F7-L10 PolarHBondContact O-N 3.33Å; L10-G14 PolarHBondContact O-N 2.98Å
11S70.4Confident73.7Confident63 Ų6398.2 Ų98.244%0.44156%0.564SS.*Hα-helixtrans-70.9-36.2177670000112.7F7 A8 V9 G14 A15F7-S11 WeakPolarHBondContact O-CB 3.44Å; F7-S11 PolarHBondContact O-N 3.03Å; F7-S11 PolarHBondContact O-OG 3.31Å; A8-S11 WeakPolarHBondContact CA-OG 3.31Å; A8-S11 PolarHBondContact O-OG 3.31Å; A8-S11 VanDerWaalsContact O-OG 3.04Å; V9-S11 PolarHBondContact O-N 3.18Å; S11-G14 PolarHBondContact O-N 3.37Å; S11-A15 WeakPolarHBondContact O-CB 3.44Å; S11-A15 PolarHBondContact O-N 3.31Å
12S77.4Confident75.3Confident63 Ų6397.5 Ų97.544%0.44155%0.547SS..Hα-helixtrans-72.4-39.7175.456.10000112.9A8 V9 A15 T16A8-S12 WeakPolarHBondContact O-CB 3.37Å; A8-S12 PolarHBondContact O-N 2.83Å; A8-S12 VanDerWaalsContact O-N 3.12Å; A8-S12 PolarHBondContact O-OG 3.26Å; V9-S12 WeakPolarHBondContact CA-OG 3.49Å; V9-S12 PolarHBondContact O-N 3.32Å; V9-S12 PolarHBondContact O-OG 3.41Å; S12-A15 PolarHBondContact O-N 3.32Å; S12-T16 WeakPolarHBondContact O-CG2 3.19Å; S12-T16 PolarHBondContact O-N 2.93Å; S12-T16 PolarHBondContact O-OG1 3.29Å
13V79.1Confident76.9Confident78 Ų7898.6 Ų98.647%0.47354%0.538SS..Hα-helixtrans-64.3-41.8170.7175.30000110.5V9 T16 V17V9-V13 HydrophobicContact CG1-CG2 4.4Å; V9-V13 WeakPolarHBondContact O-CB 3.14Å; V9-V13 VanDerWaalsContact O-CG2 3.27Å; V9-V13 WeakPolarHBondContact O-CG2 3.28Å; V9-V13 PolarHBondContact O-N 3.28Å; V13-T16 WeakPolarHBondContact CA-OG1 3.47Å; V13-T16 PolarHBondContact O-N 3.42Å; V13-T16 PolarHBondContact O-OG1 2.94Å; V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.38Å; V13-V17 PolarHBondContact O-N 3.33Å
14G80.1Confident78.7Confident25 Ų2593 Ų9326%0.25852%0.521SS..Hα-helixtrans-59.3-48.5173.100000112.7L10 S11 T16 V17 F18L10-G14 PolarHBondContact O-N 2.98Å; S11-G14 PolarHBondContact O-N 3.37Å; G14-T16 VanDerWaalsContact C-N 3.34Å; G14-T16 PolarHBondContact O-N 2.99Å; G14-V17 PolarHBondContact O-N 3.3Å; G14-F18 WeakPolarHBondContact O-CD2 3.39Å; G14-F18 PolarHBondContact O-N 2.85Å
15A82.4Confident80.3Confident59 Ų5991.2 Ų91.249%0.48851%0.514SS..Hα-helixtrans-61.3-40.7179.400000112.6S11 S12 F18 A19S11-A15 WeakPolarHBondContact O-CB 3.44Å; S11-A15 PolarHBondContact O-N 3.31Å; S12-A15 PolarHBondContact O-N 3.32Å; A15-F18 PolarHBondContact O-N 3.46Å; A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.86Å
16T85.6Confident81.8Confident77 Ų7793.3 Ų93.347%0.47251%0.514SS..Hα-helixtrans-67-41.3175.548.30000112.1S12 V13 G14 A19 W20S12-T16 WeakPolarHBondContact O-CG2 3.19Å; S12-T16 PolarHBondContact O-N 2.93Å; S12-T16 PolarHBondContact O-OG1 3.29Å; V13-T16 WeakPolarHBondContact CA-OG1 3.47Å; V13-T16 PolarHBondContact O-N 3.42Å; V13-T16 PolarHBondContact O-OG1 2.94Å; G14-T16 VanDerWaalsContact C-N 3.34Å; G14-T16 PolarHBondContact O-N 2.99Å; T16-A19 PolarHBondContact O-N 2.97Å; T16-W20 PolarHBondContact O-N 2.93Å
17V88.1Confident83.3Confident77 Ų7793.2 Ų93.247%0.46751%0.509SS..Hα-helixtrans-61.2-44.8173.1171.30000111.2V13 G14 A19 W20 L21V13-V17 VanDerWaalsContact O-CG2 3.28Å; V13-V17 WeakPolarHBondContact O-CG2 3.38Å; V13-V17 PolarHBondContact O-N 3.33Å; G14-V17 PolarHBondContact O-N 3.3Å; V17-A19 PolarHBondContact O-N 3.12Å; V17-W20 PolarHBondContact O-N 2.7Å; V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.45Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 2.75Å
18F88.8Confident84.5Confident152 Ų15288.7 Ų88.767%0.66750%0.499SS*.Hα-helixtrans-63.3-39.8176-79.2-65.5000112.6G14 A15 L21 F22G14-F18 WeakPolarHBondContact O-CD2 3.39Å; G14-F18 PolarHBondContact O-N 2.85Å; A15-F18 PolarHBondContact O-N 3.46Å; F18-L21 PolarHBondContact O-N 3.32Å; F18-F22 WeakPolarHBondContact O-CB 3.25Å; F18-F22 PolarHBondContact O-N 3.15Å
19A88.3Confident85.8Confident61 Ų6191 Ų9150%0.50450%0.5SS..Hα-helixtrans-63.9-43.6175.900000111.7A15 T16 V17 F22 F23A15-A19 WeakPolarHBondContact O-CB 3.37Å; A15-A19 PolarHBondContact O-N 2.86Å; T16-A19 PolarHBondContact O-N 2.97Å; V17-A19 PolarHBondContact O-N 3.12Å; A19-F22 PolarHBondContact O-N 3Å; A19-F23 WeakPolarHBondContact O-CB 3.33Å; A19-F23 PolarHBondContact O-N 3.25Å
20W92Very high87.1Confident170 Ų17089.9 Ų89.964%0.64449%0.491SS*.Hα-helixtrans-63.1-43.1174.1-83.4113.4000112.3T16 V17 F22 F23 C24T16-W20 PolarHBondContact O-N 2.93Å; V17-W20 PolarHBondContact O-N 2.7Å; W20-F22 PolarHBondContact O-N 3.29Å; W20-F23 HydrophobicContact CE3-CD1 4.13Å; W20-F23 HydrophobicContact CZ3-CD1 4.01Å; W20-F23 HydrophobicContact CZ3-CE1 4.29Å; W20-F23 PolarHBondContact O-N 3.05Å; W20-C24 WeakPolarHBondContact O-CB 3.49Å; W20-C24 PolarHBondContact O-N 3.43Å; W20-C24 PolarHBondContact O-SG 3.34Å
21L92Very high88.5Confident95 Ų9587.1 Ų87.150%0.49748%0.484SS..Hα-helixtrans-60.6-45.2174.9-74.8170.9000111.5V17 F18 C24 L25V17-L21 HydrophobicContact CG1-CD1 4.04Å; V17-L21 HydrophobicContact CG1-CG 4.45Å; V17-L21 WeakPolarHBondContact O-CB 3.49Å; V17-L21 WeakPolarHBondContact O-CG 3.35Å; V17-L21 PolarHBondContact O-N 2.75Å; F18-L21 PolarHBondContact O-N 3.32Å; L21-C24 PolarHBondContact O-N 3.16Å; L21-L25 WeakPolarHBondContact O-CB 3.33Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.3Å; L21-L25 PolarHBondContact O-N 3.33Å
22F91.8Very high89.5Confident151 Ų15187.6 Ų87.666%0.66248%0.477SS*.Hα-helixtrans-63.4-42.1177-173.2-95.6000111.9F18 A19 W20 L25 F26F18-F22 WeakPolarHBondContact O-CB 3.25Å; F18-F22 PolarHBondContact O-N 3.15Å; A19-F22 PolarHBondContact O-N 3Å; W20-F22 PolarHBondContact O-N 3.29Å; F22-L25 PolarHBondContact O-N 3.04Å; F22-F26 WeakPolarHBondContact O-CB 3.16Å; F22-F26 PolarHBondContact O-N 2.93Å
23F92.8Very high90.3Very high102 Ų10285.8 Ų85.845%0.44746%0.464SS..Hα-helixtrans-63.3-45.2176.2-176.5-109000112.1A19 W20 L25 F26 I27A19-F23 WeakPolarHBondContact O-CB 3.33Å; A19-F23 PolarHBondContact O-N 3.25Å; W20-F23 HydrophobicContact CE3-CD1 4.13Å; W20-F23 HydrophobicContact CZ3-CD1 4.01Å; W20-F23 HydrophobicContact CZ3-CE1 4.29Å; W20-F23 PolarHBondContact O-N 3.05Å; F23-L25 VanDerWaalsContact C-N 3.35Å; F23-L25 PolarHBondContact O-N 3.5Å; F23-F26 PolarHBondContact O-N 3.44Å; F23-I27 HydrophobicContact CD1-CD1 3.77Å; F23-I27 HydrophobicContact CE1-CD1 3.26Å; F23-I27 HydrophobicContact CE1-CG1 4.28Å; F23-I27 HydrophobicContact CE2-CD1 4.24Å; F23-I27 HydrophobicContact CG-CD1 4.46Å; F23-I27 HydrophobicContact CZ-CD1 3.53Å; F23-I27 HydrophobicContact CZ-CG1 4.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.38Å; F23-I27 PolarHBondContact O-N 3.36Å
24C93.5Very high91.1Very high72 Ų7288.8 Ų88.849%0.48647%0.47SS..Hα-helixtrans-60.7-42.3174.2-72.70000111.9W20 L21 F26 I27 A28W20-C24 WeakPolarHBondContact O-CB 3.49Å; W20-C24 PolarHBondContact O-N 3.43Å; W20-C24 PolarHBondContact O-SG 3.34Å; L21-C24 PolarHBondContact O-N 3.16Å; C24-F26 VanDerWaalsContact C-N 3.35Å; C24-I27 PolarHBondContact O-N 3.01Å; C24-A28 WeakPolarHBondContact O-CB 3.45Å; C24-A28 PolarHBondContact O-N 2.87Å
25L93.3Very high91.7Very high119 Ų11992.7 Ų92.762%0.62348%0.478SS*.Hα-helixtrans-64.2-39.1175-74.2171.3000112L21 F22 F23 A28 F29L21-L25 WeakPolarHBondContact O-CB 3.33Å; L21-L25 VanDerWaalsContact O-CG 3.26Å; L21-L25 WeakPolarHBondContact O-CG 3.3Å; L21-L25 PolarHBondContact O-N 3.33Å; F22-L25 PolarHBondContact O-N 3.04Å; F23-L25 VanDerWaalsContact C-N 3.35Å; F23-L25 PolarHBondContact O-N 3.5Å; L25-A28 PolarHBondContact O-N 3.02Å; L25-F29 VanDerWaalsContact O-CB 3.32Å; L25-F29 WeakPolarHBondContact O-CB 3.21Å; L25-F29 PolarHBondContact O-N 3.06Å
26F93.6Very high92.2Very high100 Ų10089.9 Ų89.944%0.43946%0.455SS..Hα-helixtrans-66-44.7176.4-179.3-105.1000111.9F22 F23 C24 F29 L30F22-F26 WeakPolarHBondContact O-CB 3.16Å; F22-F26 PolarHBondContact O-N 2.93Å; F23-F26 PolarHBondContact O-N 3.44Å; C24-F26 VanDerWaalsContact C-N 3.35Å; F26-F29 WeakPolarHBondContact O-CB 2.84Å; F26-F29 PolarHBondContact O-N 2.75Å; F26-L30 HydrophobicContact CD1-CD1 4Å; F26-L30 HydrophobicContact CD1-CG 4.46Å; F26-L30 HydrophobicContact CE1-CD1 3.4Å; F26-L30 VanDerWaalsContact CE1-CD1 3.4Å; F26-L30 HydrophobicContact CE1-CG 4.07Å; F26-L30 HydrophobicContact CE2-CG 4.42Å; F26-L30 HydrophobicContact CZ-CD1 3.73Å; F26-L30 HydrophobicContact CZ-CD2 4.26Å; F26-L30 HydrophobicContact CZ-CG 4.05Å; F26-L30 WeakPolarHBondContact O-CG 3.23Å; F26-L30 PolarHBondContact O-N 3.12Å
27I94.6Very high92.6Very high85 Ų8591.8 Ų91.844%0.43646%0.457SS..Hα-helixtrans-60.5-46.5173.4-70.3174.2000110.5F23 C24 F29 L30 A31F23-I27 HydrophobicContact CD1-CD1 3.77Å; F23-I27 HydrophobicContact CE1-CD1 3.26Å; F23-I27 HydrophobicContact CE1-CG1 4.28Å; F23-I27 HydrophobicContact CE2-CD1 4.24Å; F23-I27 HydrophobicContact CG-CD1 4.46Å; F23-I27 HydrophobicContact CZ-CD1 3.53Å; F23-I27 HydrophobicContact CZ-CG1 4.24Å; F23-I27 WeakPolarHBondContact O-CG1 3.38Å; F23-I27 PolarHBondContact O-N 3.36Å; C24-I27 PolarHBondContact O-N 3.01Å; I27-F29 VanDerWaalsContact C-N 3.27Å; I27-F29 PolarHBondContact O-N 2.89Å; I27-L30 PolarHBondContact O-N 2.78Å; I27-A31 WeakPolarHBondContact O-CB 3.44Å; I27-A31 PolarHBondContact O-N 3.15Å
28A92.9Very high92.8Very high56 Ų5694.9 Ų94.946%0.46346%0.461SS..Hα-helixtrans-60.1-39.6177.500000111.7C24 L25 Y32C24-A28 WeakPolarHBondContact O-CB 3.45Å; C24-A28 PolarHBondContact O-N 2.87Å; L25-A28 PolarHBondContact O-N 3.02Å; A28-Y32 WeakPolarHBondContact O-CB 3.47Å; A28-Y32 PolarHBondContact O-N 3.11Å
29F92.9Very high93Very high102 Ų10288.4 Ų88.445%0.44743%0.433SS..Hα-helixtrans-64.3-45.5175176-101.5000112.1L25 F26 I27 Y32 C33 F55L25-F29 VanDerWaalsContact O-CB 3.32Å; L25-F29 WeakPolarHBondContact O-CB 3.21Å; L25-F29 PolarHBondContact O-N 3.06Å; F26-F29 WeakPolarHBondContact O-CB 2.84Å; F26-F29 PolarHBondContact O-N 2.75Å; I27-F29 VanDerWaalsContact C-N 3.27Å; I27-F29 PolarHBondContact O-N 2.89Å; F29-Y32 WeakPolarHBondContact O-CB 3.44Å; F29-Y32 PolarHBondContact O-N 3.04Å; F29-C33 PolarHBondContact O-N 2.89Å; F29-C33 PolarHBondContact O-SG 3.43Å; F29-F55 AromaticContact CE2-CE1 3.96Å; F29-F55 HydrophobicContact CE2-CE1 3.96Å; F29-F55 AromaticContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CZ-CE1 4.22Å; F29-F55 HydrophobicContact CZ-CE2 4.36Å; F29-F55 AromaticContact CZ-CZ 3.6Å; F29-F55 HydrophobicContact CZ-CZ 3.6Å
30L94.1Very high93.2Very high67 Ų6786.1 Ų86.135%0.35141%0.412SS..Hα-helixtrans-62.6-45.9175.8-72.8-179.5000111.6F26 I27 Y32 C33 F34F26-L30 HydrophobicContact CD1-CD1 4Å; F26-L30 HydrophobicContact CD1-CG 4.46Å; F26-L30 HydrophobicContact CE1-CD1 3.4Å; F26-L30 VanDerWaalsContact CE1-CD1 3.4Å; F26-L30 HydrophobicContact CE1-CG 4.07Å; F26-L30 HydrophobicContact CE2-CG 4.42Å; F26-L30 HydrophobicContact CZ-CD1 3.73Å; F26-L30 HydrophobicContact CZ-CD2 4.26Å; F26-L30 HydrophobicContact CZ-CG 4.05Å; F26-L30 WeakPolarHBondContact O-CG 3.23Å; F26-L30 PolarHBondContact O-N 3.12Å; I27-L30 PolarHBondContact O-N 2.78Å; L30-Y32 VanDerWaalsContact C-N 3.26Å; L30-Y32 PolarHBondContact O-N 2.93Å; L30-C33 WeakPolarHBondContact O-CB 3.39Å; L30-C33 PolarHBondContact O-N 2.66Å; L30-C33 VanDerWaalsContact O-N 3.07Å; L30-F34 WeakPolarHBondContact O-CD2 3.46Å; L30-F34 PolarHBondContact O-N 3.06Å
31A94.2Very high93.2Very high55 Ų5584 Ų8446%0.45541%0.411SS..Hα-helixtrans-57.3-41.8175.100000111.3I27 F34 Y35I27-A31 WeakPolarHBondContact O-CB 3.44Å; I27-A31 PolarHBondContact O-N 3.15Å; A31-F34 PolarHBondContact O-N 3.24Å; A31-Y35 WeakPolarHBondContact O-CB 3.27Å; A31-Y35 PolarHBondContact O-N 3.47Å
32Y92.9Very high93.3Very high74 Ų7482.7 Ų82.729%0.2940%0.401SS..Hα-helixtrans-65.6-38.3174.6-175.3-114000112.8A28 F29 L30 Y35 I36 F55 H93A28-Y32 WeakPolarHBondContact O-CB 3.47Å; A28-Y32 PolarHBondContact O-N 3.11Å; F29-Y32 WeakPolarHBondContact O-CB 3.44Å; F29-Y32 PolarHBondContact O-N 3.04Å; L30-Y32 VanDerWaalsContact C-N 3.26Å; L30-Y32 PolarHBondContact O-N 2.93Å; Y32-Y35 HydrophobicContact CD2-CD1 4.27Å; Y32-Y35 HydrophobicContact CE2-CD1 4.34Å; Y32-Y35 PolarHBondContact O-N 3.3Å; Y32-I36 HydrophobicContact CD1-CD1 3.9Å; Y32-I36 HydrophobicContact CE1-CD1 3.35Å; Y32-I36 HydrophobicContact CE1-CG1 4.19Å; Y32-I36 HydrophobicContact CE2-CD1 4.29Å; Y32-I36 HydrophobicContact CE2-CG1 4.3Å; Y32-I36 WeakPolarHBondContact O-CG1 3.42Å; Y32-I36 PolarHBondContact O-N 3.16Å; Y32-F55 HydrophobicContact CD1-CD1 4.49Å; Y32-F55 HydrophobicContact CD1-CE1 4.42Å; Y32-F55 HydrophobicContact CE1-CD1 4.16Å; Y32-H93 HydrophobicContact CE2-CB 4.34Å; Y32-H93 AromaticContact CE2-ND1 3.71Å; Y32-H93 AromaticContact CZ-ND1 3.79Å; Y32-H93 PolarHBondContact OH-ND1 2.83Å
33C93.6Very high93.4Very high25 Ų2575.6 Ų75.617%0.16937%0.37CS..Hα-helixtrans-62.1-44.7173.5-66.20000111.8F29 L30 Y35 I36 K37F29-C33 PolarHBondContact O-N 2.89Å; F29-C33 PolarHBondContact O-SG 3.43Å; L30-C33 WeakPolarHBondContact O-CB 3.39Å; L30-C33 PolarHBondContact O-N 2.66Å; L30-C33 VanDerWaalsContact O-N 3.07Å; C33-Y35 VanDerWaalsContact C-N 3.34Å; C33-I36 PolarHBondContact O-N 3.47Å; C33-K37 WeakPolarHBondContact O-CB 3.36Å; C33-K37 PolarHBondContact O-N 3.31Å
34F94.8Very high93.3Very high140 Ų14074.3 Ų74.361%0.61437%0.368SS*.Hα-helixtrans-64-40.4175.4-74.9-64000111.8L30 A31 K37 Y38L30-F34 WeakPolarHBondContact O-CD2 3.46Å; L30-F34 PolarHBondContact O-N 3.06Å; A31-F34 PolarHBondContact O-N 3.24Å; F34-K37 PolarHBondContact O-N 2.89Å; F34-Y38 WeakPolarHBondContact O-CB 3.47Å; F34-Y38 PolarHBondContact O-N 3.21Å
35Y94Very high93.3Very high108 Ų10876 Ų7642%0.42437%0.368SS..Hα-helixtrans-60.6-47.8174.5175-106.7000111.9A31 Y32 C33 K37 Y38 I39 H93A31-Y35 WeakPolarHBondContact O-CB 3.27Å; A31-Y35 PolarHBondContact O-N 3.47Å; Y32-Y35 HydrophobicContact CD2-CD1 4.27Å; Y32-Y35 HydrophobicContact CE2-CD1 4.34Å; Y32-Y35 PolarHBondContact O-N 3.3Å; C33-Y35 VanDerWaalsContact C-N 3.34Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.09Å; Y35-Y38 WeakPolarHBondContact O-CB 3.32Å; Y35-Y38 PolarHBondContact O-N 3.31Å; Y35-I39 HydrophobicContact CD1-CG1 4.48Å; Y35-I39 HydrophobicContact CD2-CG1 4.31Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 HydrophobicContact CE2-CD1 4.04Å; Y35-I39 HydrophobicContact CE2-CG1 3.87Å; Y35-I39 WeakPolarHBondContact O-CG1 3.4Å; Y35-I39 PolarHBondContact O-N 3.17Å; Y35-H93 HydrophobicContact CD1-CB 4.44Å; Y35-H93 HydrophobicContact CE1-CB 3.96Å; Y35-H93 AromaticContact CE1-CD2 3.9Å
36I92.6Very high93.3Very high0 Ų070.5 Ų70.50%034%0.34CS..Hα-helixtrans-59.1-45.9175.2-73.4177.4000110.7Y32 C33 Y38 I39 H40 F54 F55 H93Y32-I36 HydrophobicContact CD1-CD1 3.9Å; Y32-I36 HydrophobicContact CE1-CD1 3.35Å; Y32-I36 HydrophobicContact CE1-CG1 4.19Å; Y32-I36 HydrophobicContact CE2-CD1 4.29Å; Y32-I36 HydrophobicContact CE2-CG1 4.3Å; Y32-I36 WeakPolarHBondContact O-CG1 3.42Å; Y32-I36 PolarHBondContact O-N 3.16Å; C33-I36 PolarHBondContact O-N 3.47Å; I36-Y38 VanDerWaalsContact C-N 3.33Å; I36-Y38 PolarHBondContact O-N 2.88Å; I36-I39 PolarHBondContact O-N 2.9Å; I36-H40 WeakPolarHBondContact CG2-CE1 3.37Å; I36-H40 VanDerWaalsContact O-CG 3.28Å; I36-H40 PolarHBondContact O-N 3.48Å; I36-F54 HydrophobicContact CB-CE1 4.05Å; I36-F54 HydrophobicContact CB-CZ 4.06Å; I36-F54 HydrophobicContact CD1-CE1 4.49Å; I36-F54 HydrophobicContact CG2-CD1 4.19Å; I36-F54 HydrophobicContact CG2-CE1 3.67Å; I36-F54 HydrophobicContact CG2-CE2 4.03Å; I36-F54 HydrophobicContact CG2-CZ 3.58Å; I36-F55 HydrophobicContact CD1-CD1 3.65Å; I36-F55 HydrophobicContact CD1-CE1 4.16Å; I36-H93 HydrophobicContact CG1-CB 4.07Å
37K93Very high93.3Very high117 Ų11768.4 Ų68.451%0.50934%0.336SS..Hα-helixtrans-59.8-44.8178.7-175.1178.6178.8-1790111.4C33 F34 Y35 H40 M41 F54C33-K37 WeakPolarHBondContact O-CB 3.36Å; C33-K37 PolarHBondContact O-N 3.31Å; F34-K37 PolarHBondContact O-N 2.89Å; Y35-K37 VanDerWaalsContact C-N 3.33Å; Y35-K37 PolarHBondContact O-N 3.09Å; K37-H40 PolarHBondContact O-N 2.72Å; K37-M41 HydrophobicContact CG-SD 4.23Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 3.04Å; K37-F54 HydrophobicContact CB-CZ 4.35Å
38Y94.1Very high93.2Very high141 Ų14165.2 Ų65.255%0.55332%0.324SS*.Hα-helixtrans-59.1-47.5175.2169.7-103.4000111.7F34 Y35 I36 H40 M41 K42F34-Y38 WeakPolarHBondContact O-CB 3.47Å; F34-Y38 PolarHBondContact O-N 3.21Å; Y35-Y38 WeakPolarHBondContact O-CB 3.32Å; Y35-Y38 PolarHBondContact O-N 3.31Å; I36-Y38 VanDerWaalsContact C-N 3.33Å; I36-Y38 PolarHBondContact O-N 2.88Å; Y38-H40 VanDerWaalsContact C-N 3.33Å; Y38-H40 PolarHBondContact O-N 2.99Å; Y38-M41 PolarHBondContact O-N 3Å; Y38-K42 WeakPolarHBondContact O-CB 3.42Å; Y38-K42 PolarHBondContact O-N 3.32Å
39I92.9Very high93.3Very high17 Ų1762.7 Ų62.79%0.08730%0.303CS..Hα-helixtrans-61.5-41.5176.4-68.4-63.8000111Y35 I36 K42 Y43 I95Y35-I39 HydrophobicContact CD1-CG1 4.48Å; Y35-I39 HydrophobicContact CD2-CG1 4.31Å; Y35-I39 HydrophobicContact CE1-CG1 4.07Å; Y35-I39 HydrophobicContact CE2-CD1 4.04Å; Y35-I39 HydrophobicContact CE2-CG1 3.87Å; Y35-I39 WeakPolarHBondContact O-CG1 3.4Å; Y35-I39 PolarHBondContact O-N 3.17Å; I36-I39 PolarHBondContact O-N 2.9Å; I39-K42 PolarHBondContact O-N 2.8Å; I39-Y43 HydrophobicContact CG2-CD2 4.4Å; I39-Y43 WeakPolarHBondContact O-CD2 3.44Å; I39-Y43 PolarHBondContact O-N 3.24Å; I39-I95 HydrophobicContact CG2-CD1 3.46Å; I39-I95 VanDerWaalsContact CG2-CD1 3.46Å; I39-I95 HydrophobicContact CG2-CG1 3.58Å
40H92.3Very high93.2Very high13 Ų1362.7 Ų62.76%0.0631%0.313CS..Hα-helixtrans-60.6-51.4175.7-69.7172.5000111.4I36 K37 Y38 K42 Y43 D44 R51 F54I36-H40 WeakPolarHBondContact CG2-CE1 3.37Å; I36-H40 VanDerWaalsContact O-CG 3.28Å; I36-H40 PolarHBondContact O-N 3.48Å; K37-H40 PolarHBondContact O-N 2.72Å; Y38-H40 VanDerWaalsContact C-N 3.33Å; Y38-H40 PolarHBondContact O-N 2.99Å; H40-K42 VanDerWaalsContact C-N 3.28Å; H40-K42 PolarHBondContact O-N 2.76Å; H40-Y43 CarbonylContact O-C 3.54Å; H40-Y43 PolarHBondContact O-N 2.91Å; H40-Y43 VanDerWaalsContact O-N 3.13Å; H40-D44 VanDerWaalsContact C-CG 3.48Å; H40-D44 VanDerWaalsContact O-CB 3.31Å; H40-D44 WeakPolarHBondContact O-CB 3.29Å; H40-D44 PolarHBondContact O-N 3.03Å; H40-D44 VanDerWaalsContact O-OD1 3.06Å; H40-R51 VanDerWaalsContact CD2-CZ 3.43Å; H40-R51 PolarHBondContact CD2-NE 2.7Å; H40-R51 PolarHBondContact CD2-NH2 2.88Å; H40-R51 VanDerWaalsContact CD2-NH2 3.3Å; H40-R51 VanDerWaalsContact CG-CZ 3.47Å; H40-R51 PolarHBondContact NE2-NE 3.07Å; H40-F54 PolarHBondContact CE1-O 3.42Å; H40-F54 AromaticContact ND1-CE2 3.97Å
41M92.4Very high93Very high126 Ų12662.3 Ų62.362%0.62131%0.307SS*.Hα-helixtrans-57.8-39.8178.6-70.2176.966.100112.4K37 Y38 Y43K37-M41 HydrophobicContact CG-SD 4.23Å; K37-M41 WeakPolarHBondContact O-CG 3.49Å; K37-M41 PolarHBondContact O-N 3.04Å; Y38-M41 PolarHBondContact O-N 3Å; M41-Y43 PolarHBondContact O-N 3.09Å
42K93Very high92.6Very high66 Ų6663.9 Ų63.929%0.28731%0.308SS..Hα-helixtrans-61.5-29179.7-176.5178.8178.5-168.40113.6Y38 I39 H40 H45 P404 G405Y38-K42 WeakPolarHBondContact O-CB 3.42Å; Y38-K42 PolarHBondContact O-N 3.32Å; I39-K42 PolarHBondContact O-N 2.8Å; H40-K42 VanDerWaalsContact C-N 3.28Å; H40-K42 PolarHBondContact O-N 2.76Å; K42-H45 PolarHBondContact O-CE1 2.82Å; K42-H45 PolarHBondContact O-ND1 2.97Å; K42-P404 HydrophobicContact CD-CG 4.48Å; K42-P404 VanDerWaalsContact CE-CB 3.44Å; K42-P404 HydrophobicContact CG-CG 4.01Å; K42-G405 PolarHBondContact NZ-O 2.9Å
43Y93.2Very high92.4Very high3 Ų362 Ų621%0.01231%0.305CS..Hα-helixtrans-121.97.5-174.7-64-91.4000113.2I39 H40 M41 H45 I46 R88 I95 P404 G405 G406 F407I39-Y43 HydrophobicContact CG2-CD2 4.4Å; I39-Y43 WeakPolarHBondContact O-CD2 3.44Å; I39-Y43 PolarHBondContact O-N 3.24Å; H40-Y43 CarbonylContact O-C 3.54Å; H40-Y43 PolarHBondContact O-N 2.91Å; H40-Y43 VanDerWaalsContact O-N 3.13Å; M41-Y43 PolarHBondContact O-N 3.09Å; Y43-H45 VanDerWaalsContact C-N 3.25Å; Y43-H45 PolarHBondContact O-N 2.96Å; Y43-I46 HydrophobicContact CD1-CD1 3.74Å; Y43-I46 PolarHBondContact O-N 3.3Å; Y43-R88 VanDerWaalsContact O-CD 3.28Å; Y43-R88 WeakPolarHBondContact O-CD 3.23Å; Y43-R88 PolarHBondContact O-NH1 2.73Å; Y43-I95 HydrophobicContact CD1-CG2 3.92Å; Y43-I95 HydrophobicContact CD2-CB 4.5Å; Y43-I95 HydrophobicContact CD2-CD1 4.22Å; Y43-I95 HydrophobicContact CD2-CG1 3.64Å; Y43-I95 HydrophobicContact CD2-CG2 4.37Å; Y43-I95 HydrophobicContact CE1-CG2 4.07Å; Y43-I95 HydrophobicContact CE2-CB 4.37Å; Y43-I95 HydrophobicContact CE2-CG1 3.68Å; Y43-I95 HydrophobicContact CE2-CG2 4.49Å; Y43-I95 HydrophobicContact CG-CG1 4.15Å; Y43-I95 HydrophobicContact CG-CG2 4.06Å; Y43-P404 HydrophobicContact CD1-CG 3.84Å; Y43-P404 HydrophobicContact CE1-CG 3.58Å; Y43-P404 VanDerWaalsContact CE1-O 3.31Å; Y43-P404 WeakPolarHBondContact CE1-O 3.26Å; Y43-P404 PolarHBondContact OH-O 2.8Å; Y43-G405 PolarHBondContact OH-O 2.95Å; Y43-G406 PolarHBondContact OH-O 2.95Å; Y43-F407 HydrophobicContact CE1-CB 4.14Å; Y43-F407 HydrophobicContact CE1-CD1 4.23Å
44D91.7Very high92.2Very high75 Ų7565 Ų6540%0.40132%0.316SS..THydrogen-bonded Turntrans-69.9-16.9179.5-82.5-16.2000113.7H40 I46 R51 R88H40-D44 VanDerWaalsContact C-CG 3.48Å; H40-D44 VanDerWaalsContact O-CB 3.31Å; H40-D44 WeakPolarHBondContact O-CB 3.29Å; H40-D44 PolarHBondContact O-N 3.03Å; H40-D44 VanDerWaalsContact O-OD1 3.06Å; D44-I46 VanDerWaalsContact C-N 3.3Å; D44-R51 IonicContact OD1-CZ 2.88Å; D44-R51 VanDerWaalsContact OD1-CZ 3.26Å; D44-R51 IonicContact OD1-NH1 3.86Å; D44-R51 PolarHBondContact OD1-NH1 3.47Å; D44-R51 IonicContact OD1-NH2 3.4Å; D44-R51 PolarHBondContact OD1-NH2 2.88Å; D44-R51 IonicContact OD2-NH1 3.98Å; D44-R88 IonicContact OD1-CZ 3.68Å; D44-R88 IonicContact OD1-NH1 2.71Å; D44-R88 PolarHBondContact OD1-NH1 3.44Å; D44-R88 IonicContact OD1-NH2 2.73Å; D44-R88 PolarHBondContact OD1-NH2 3.24Å
45H92.4Very high91.9Very high107 Ų10761.7 Ų61.750%0.49530%0.301SS..THydrogen-bonded Turntrans-75.1-16.6172.367.3-70.8000113.9K42 Y43 H402K42-H45 PolarHBondContact O-CE1 2.82Å; K42-H45 PolarHBondContact O-ND1 2.97Å; Y43-H45 VanDerWaalsContact C-N 3.25Å; Y43-H45 PolarHBondContact O-N 2.96Å; H45-H402 PolarHBondContact NE2-O 3.23Å
46I94.1Very high91.7Very high4 Ų458.5 Ų58.52%0.02129%0.291CS..SBendtrans-84.7135.4179.9-57.2168.8000109.1Y43 D44 R88 L97 V401 L403Y43-I46 HydrophobicContact CD1-CD1 3.74Å; Y43-I46 PolarHBondContact O-N 3.3Å; D44-I46 VanDerWaalsContact C-N 3.3Å; I46-R88 HydrophobicContact CB-CB 4.45Å; I46-R88 HydrophobicContact CG2-CB 4.16Å; I46-R88 WeakPolarHBondContact O-CD 3.48Å; I46-L97 HydrophobicContact CD1-CD1 3.98Å; I46-L97 HydrophobicContact CD1-CD2 4.06Å; I46-L97 HydrophobicContact CG2-CD2 4.31Å; I46-V401 HydrophobicContact CG1-CG1 4.33Å; I46-L403 HydrophobicContact CD1-CD2 3.7Å; I46-L403 HydrophobicContact CG1-CD2 4.17Å
47P93.9Very high91.6Very high55 Ų5558.5 Ų58.536%0.35729%0.291SS..  trans-54.8147174.5-25.934.9000112.7Y87 R88P47-Y87 CarbonylContact O-C 3.55Å; P47-Y87 VanDerWaalsContact O-CA 3.22Å; P47-Y87 WeakPolarHBondContact O-CA 3.44Å; P47-R88 PolarHBondContact O-N 3.01Å
48G93.4Very high91.6Very high18 Ų1853 Ų5319%0.18627%0.267CS..  trans165.6172.3168.900000114Y83G48-Y83 WeakPolarHBondContact O-CE1 2.93Å
49P93.4Very high91.4Very high4 Ų446.5 Ų46.53%0.02624%0.243CC..PPolyproline II helixtrans-57.9149.2-179.622.7-35.9000113.8R51 H58 W79 Y83 R88P49-R51 PolarHBondContact O-N 3.31Å; P49-H58 WeakPolarHBondContact CG-NE2 3.24Å; P49-H58 PolarHBondContact O-NE2 3.11Å; P49-W79 HydrophobicContact CB-CD2 4.29Å; P49-W79 HydrophobicContact CB-CZ2 3.83Å; P49-W79 HydrophobicContact CG-CD2 3.76Å; P49-W79 HydrophobicContact CG-CE3 4Å; P49-W79 HydrophobicContact CG-CG 4.33Å; P49-W79 HydrophobicContact CG-CH2 4.01Å; P49-W79 HydrophobicContact CG-CZ2 3.77Å; P49-W79 HydrophobicContact CG-CZ3 4.11Å; P49-Y83 WeakPolarHBondContact CA-OH 3.15Å; P49-Y83 HydrophobicContact CB-CE2 4.01Å; P49-Y83 HydrophobicContact CG-CE2 4.37Å; P49-R88 WeakPolarHBondContact CD-O 3.08Å
50P90.8Very high91.4Very high102 Ų10247.9 Ų47.966%0.66225%0.253SS*.PPolyproline II helixtrans-66134.5170.628.1-33.2000110.1N52P50-N52 PolarHBondContact O-N 2.9Å
51R89.6Confident91.4Very high58 Ų5848.4 Ų48.422%0.21926%0.257CS..PPolyproline II helixtrans-67.4131.8179.7-59.1176.8-172104.2-12110H40 D44 P49 S53 R88 N90H40-R51 VanDerWaalsContact CD2-CZ 3.43Å; H40-R51 PolarHBondContact CD2-NE 2.7Å; H40-R51 PolarHBondContact CD2-NH2 2.88Å; H40-R51 VanDerWaalsContact CD2-NH2 3.3Å; H40-R51 VanDerWaalsContact CG-CZ 3.47Å; H40-R51 PolarHBondContact NE2-NE 3.07Å; D44-R51 IonicContact OD1-CZ 2.88Å; D44-R51 VanDerWaalsContact OD1-CZ 3.26Å; D44-R51 IonicContact OD1-NH1 3.86Å; D44-R51 PolarHBondContact OD1-NH1 3.47Å; D44-R51 IonicContact OD1-NH2 3.4Å; D44-R51 PolarHBondContact OD1-NH2 2.88Å; D44-R51 IonicContact OD2-NH1 3.98Å; P49-R51 PolarHBondContact O-N 3.31Å; R51-S53 VanDerWaalsContact C-N 3.32Å; R51-R88 VanDerWaalsContact NH2-CZ 3.29Å; R51-N90 PolarHBondContact NE-OD1 3.35Å
52N86.9Confident91.4Very high88 Ų8842.6 Ų42.647%0.47123%0.228SC..SBendtrans-76.4-23.2177.5-54.3105.8000113P50 G57 P60 T61P50-N52 PolarHBondContact O-N 2.9Å; N52-G57 PolarHBondContact N-O 3.49Å; N52-P60 HydrophobicContact CB-CB 4.49Å; N52-P60 HydrophobicContact CB-CG 4.49Å; N52-T61 VanDerWaalsContact CG-OG1 3.28Å; N52-T61 PolarHBondContact ND2-OG1 3.31Å; N52-T61 PolarHBondContact OD1-OG1 2.93Å
53S88.4Confident91.2Very high34 Ų3440.5 Ų40.524%0.23822%0.221CC..BIsolated β-bridgetrans-146.4140.7-178.2175.20000109.6R51 F55 L56 G57R51-S53 VanDerWaalsContact C-N 3.32Å; S53-F55 VanDerWaalsContact C-N 3.31Å; S53-F55 PolarHBondContact O-N 2.92Å; S53-F55 PolarHBondContact OG-N 3.28Å; S53-L56 PolarHBondContact OG-N 3.5Å; S53-L56 VanDerWaalsContact OG-N 3.15Å; S53-G57 PolarHBondContact N-O 3.41Å; S53-G57 WeakPolarHBondContact O-CA 3.26Å; S53-G57 PolarHBondContact O-N 3.48Å
54F88.9Confident91.2Very high88 Ų8848.6 Ų48.639%0.38625%0.251SS..THydrogen-bonded Turntrans-60-41.7173.1-176.6-97000112I36 K37 H40I36-F54 HydrophobicContact CB-CE1 4.05Å; I36-F54 HydrophobicContact CB-CZ 4.06Å; I36-F54 HydrophobicContact CD1-CE1 4.49Å; I36-F54 HydrophobicContact CG2-CD1 4.19Å; I36-F54 HydrophobicContact CG2-CE1 3.67Å; I36-F54 HydrophobicContact CG2-CE2 4.03Å; I36-F54 HydrophobicContact CG2-CZ 3.58Å; K37-F54 HydrophobicContact CB-CZ 4.35Å; H40-F54 PolarHBondContact CE1-O 3.42Å; H40-F54 AromaticContact ND1-CE2 3.97Å
55F89Confident91.2Very high71 Ų7146.4 Ų46.431%0.31124%0.24SC..THydrogen-bonded Turntrans-92.2-34.6-177.1-66-74.4000114F29 Y32 I36 S53 L92F29-F55 AromaticContact CE2-CE1 3.96Å; F29-F55 HydrophobicContact CE2-CE1 3.96Å; F29-F55 AromaticContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CE2-CZ 3.78Å; F29-F55 HydrophobicContact CZ-CE1 4.22Å; F29-F55 HydrophobicContact CZ-CE2 4.36Å; F29-F55 AromaticContact CZ-CZ 3.6Å; F29-F55 HydrophobicContact CZ-CZ 3.6Å; Y32-F55 HydrophobicContact CD1-CD1 4.49Å; Y32-F55 HydrophobicContact CD1-CE1 4.42Å; Y32-F55 HydrophobicContact CE1-CD1 4.16Å; I36-F55 HydrophobicContact CD1-CD1 3.65Å; I36-F55 HydrophobicContact CD1-CE1 4.16Å; S53-F55 VanDerWaalsContact C-N 3.31Å; S53-F55 PolarHBondContact O-N 2.92Å; S53-F55 PolarHBondContact OG-N 3.28Å; F55-L92 VanDerWaalsContact O-CA 3.3Å; F55-L92 WeakPolarHBondContact O-CA 3.37Å
56L88.8Confident91.1Very high42 Ų4243.1 Ų43.122%0.2223%0.225CC..THydrogen-bonded Turntrans-97.8-7.7-174.5-58.1177.1000113.2S53 H58 S59 P60 L92 L241S53-L56 PolarHBondContact OG-N 3.5Å; S53-L56 VanDerWaalsContact OG-N 3.15Å; L56-H58 PolarHBondContact O-N 3.1Å; L56-H58 VanDerWaalsContact O-N 3.13Å; L56-S59 PolarHBondContact O-N 3.49Å; L56-S59 VanDerWaalsContact O-N 3.14Å; L56-S59 PolarHBondContact O-OG 3.02Å; L56-S59 VanDerWaalsContact O-OG 3.08Å; L56-P60 HydrophobicContact CB-CG 4.04Å; L56-P60 HydrophobicContact CD1-CG 4.17Å; L56-L92 HydrophobicContact CD2-CD2 3.65Å; L56-L241 HydrophobicContact CD1-CD1 4.05Å; L56-L241 HydrophobicContact CD2-CD1 4.41Å; L56-L241 HydrophobicContact CD2-CG 4.42Å
57G91.3Very high90.8Very high0 Ų050.1 Ų50.10%026%0.255CS..BIsolated β-bridgetrans58.2-116.8-176.200000111.3N52 S53N52-G57 PolarHBondContact N-O 3.49Å; S53-G57 PolarHBondContact N-O 3.41Å; S53-G57 WeakPolarHBondContact O-CA 3.26Å; S53-G57 PolarHBondContact O-N 3.48Å
58H93.3Very high90.5Very high1 Ų153.4 Ų53.41%0.00527%0.27CS..THydrogen-bonded Turntrans-102.5-0.6-177.5-56.285.2000113.7P49 L56 P60 T61 F62 W79 N90P49-H58 WeakPolarHBondContact CG-NE2 3.24Å; P49-H58 PolarHBondContact O-NE2 3.11Å; L56-H58 PolarHBondContact O-N 3.1Å; L56-H58 VanDerWaalsContact O-N 3.13Å; H58-P60 VanDerWaalsContact C-N 3.29Å; H58-T61 WeakPolarHBondContact O-CB 3.41Å; H58-T61 PolarHBondContact O-N 2.93Å; H58-F62 HydrophobicContact CB-CE2 4Å; H58-F62 HydrophobicContact CB-CZ 3.93Å; H58-F62 PolarHBondContact O-N 2.77Å; H58-W79 HydrophobicContact CB-CH2 4.38Å; H58-N90 PolarHBondContact N-O 2.74Å; H58-N90 PolarHBondContact ND1-N 2.91Å; H58-N90 PolarHBondContact ND1-O 2.92Å
59S90.7Very high90.1Very high5 Ų557.5 Ų57.54%0.03529%0.287CS..Hα-helixtrans-50.9-41.1176.7-520000113.5L56 T61 F62 V63 I91L56-S59 PolarHBondContact O-N 3.49Å; L56-S59 VanDerWaalsContact O-N 3.14Å; L56-S59 PolarHBondContact O-OG 3.02Å; L56-S59 VanDerWaalsContact O-OG 3.08Å; S59-T61 VanDerWaalsContact C-N 3.26Å; S59-T61 PolarHBondContact O-N 3.34Å; S59-F62 PolarHBondContact O-N 3.49Å; S59-V63 WeakPolarHBondContact O-CG2 3.3Å; S59-V63 PolarHBondContact O-N 2.72Å; S59-I91 WeakPolarHBondContact OG-CG2 3.28Å
60P92.3Very high89.8Confident46 Ų4658.7 Ų58.730%0.29930%0.3SS..Hα-helixtrans-60.7-32.9177.7-24.736.2000113.7N52 L56 H58 R64N52-P60 HydrophobicContact CB-CB 4.49Å; N52-P60 HydrophobicContact CB-CG 4.49Å; L56-P60 HydrophobicContact CB-CG 4.04Å; L56-P60 HydrophobicContact CD1-CG 4.17Å; H58-P60 VanDerWaalsContact C-N 3.29Å; P60-R64 WeakPolarHBondContact O-CB 3.44Å; P60-R64 PolarHBondContact O-N 3.44Å
61T92.3Very high89.9Confident23 Ų2354.5 Ų54.514%0.14127%0.272CS..Hα-helixtrans-67-46.7175.3-72.60000110.6N52 H58 S59 V63 R64 I65 W79N52-T61 VanDerWaalsContact CG-OG1 3.28Å; N52-T61 PolarHBondContact ND2-OG1 3.31Å; N52-T61 PolarHBondContact OD1-OG1 2.93Å; H58-T61 WeakPolarHBondContact O-CB 3.41Å; H58-T61 PolarHBondContact O-N 2.93Å; S59-T61 VanDerWaalsContact C-N 3.26Å; S59-T61 PolarHBondContact O-N 3.34Å; T61-V63 PolarHBondContact O-N 2.97Å; T61-R64 PolarHBondContact O-N 2.89Å; T61-I65 HydrophobicContact CG2-CD1 3.84Å; T61-I65 WeakPolarHBondContact O-CG1 3.4Å; T61-I65 PolarHBondContact O-N 3.37Å; T61-W79 HydrophobicContact CG2-CH2 4.44Å; T61-W79 HydrophobicContact CG2-CZ2 4.38Å
62F91.5Very high90Very high4 Ų451.9 Ų51.92%0.01826%0.263CS..Hα-helixtrans-63-42.4177.5-53.4-36.6000112H58 S59 R64 I65 M66 V72 F76 W79 M89 I91H58-F62 HydrophobicContact CB-CE2 4Å; H58-F62 HydrophobicContact CB-CZ 3.93Å; H58-F62 PolarHBondContact O-N 2.77Å; S59-F62 PolarHBondContact O-N 3.49Å; F62-R64 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 2.76Å; F62-I65 PolarHBondContact O-N 3.07Å; F62-M66 WeakPolarHBondContact O-CB 3.41Å; F62-M66 VanDerWaalsContact O-CG 3.27Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 2.8Å; F62-V72 HydrophobicContact CB-CG2 4.3Å; F62-V72 HydrophobicContact CD1-CG1 3.6Å; F62-V72 HydrophobicContact CD1-CG2 4.42Å; F62-V72 HydrophobicContact CE1-CG1 3.96Å; F62-V72 HydrophobicContact CG-CG1 4.23Å; F62-F76 AromaticContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CZ 4.33Å; F62-F76 AromaticContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CZ 4.36Å; F62-W79 AromaticContact CE1-CH2 3.79Å; F62-W79 HydrophobicContact CE1-CH2 3.79Å; F62-W79 AromaticContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CZ-CH2 4.13Å; F62-W79 AromaticContact CZ-CZ3 3.96Å; F62-W79 HydrophobicContact CZ-CZ3 3.96Å; F62-M89 HydrophobicContact CZ-SD 3.84Å; F62-I91 HydrophobicContact CD2-CD1 4.31Å; F62-I91 HydrophobicContact CE2-CD1 3.89Å; F62-I91 HydrophobicContact CE2-CG1 3.94Å
63V90.5Very high90.2Very high23 Ų2348.4 Ų48.414%0.13924%0.244CC..Hα-helixtrans-61.7-39.9175.5173.10000111.7S59 T61 K67 D239S59-V63 WeakPolarHBondContact O-CG2 3.3Å; S59-V63 PolarHBondContact O-N 2.72Å; T61-V63 PolarHBondContact O-N 2.97Å; V63-K67 HydrophobicContact CG1-CD 4.25Å; V63-K67 WeakPolarHBondContact O-CB 3.18Å; V63-K67 VanDerWaalsContact O-CG 3.3Å; V63-K67 WeakPolarHBondContact O-CG 3.39Å; V63-K67 PolarHBondContact O-N 2.91Å; V63-D239 HydrophobicContact CG2-CB 3.75Å
64R92.6Very high90.5Very high172 Ų17250.4 Ų50.465%0.64925%0.251SS*.Hα-helixtrans-65.2-45.2176.7-174.6-176.3-63.4176.6-0.7111.5P60 T61 F62 K67 N68P60-R64 WeakPolarHBondContact O-CB 3.44Å; P60-R64 PolarHBondContact O-N 3.44Å; T61-R64 PolarHBondContact O-N 2.89Å; F62-R64 VanDerWaalsContact C-N 3.32Å; F62-R64 PolarHBondContact O-N 2.76Å; R64-K67 PolarHBondContact O-N 3.13Å; R64-N68 PolarHBondContact O-N 3.33Å
65I91.7Very high90.7Very high30 Ų3048.4 Ų48.415%0.15424%0.242CC..Hα-helixtrans-59.3-49.3177.1-69.2166.3000109.9T61 F62 K67 N68 D69 G70 V72 K75T61-I65 HydrophobicContact CG2-CD1 3.84Å; T61-I65 WeakPolarHBondContact O-CG1 3.4Å; T61-I65 PolarHBondContact O-N 3.37Å; F62-I65 PolarHBondContact O-N 3.07Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.9Å; I65-N68 CarbonylContact O-C 3.5Å; I65-N68 PolarHBondContact O-N 3.25Å; I65-N68 VanDerWaalsContact O-N 3.14Å; I65-D69 PolarHBondContact O-N 3.3Å; I65-G70 WeakPolarHBondContact CG2-O 3.48Å; I65-G70 WeakPolarHBondContact O-CA 3.29Å; I65-G70 PolarHBondContact O-N 2.83Å; I65-V72 HydrophobicContact CB-CG2 4.39Å; I65-V72 HydrophobicContact CG2-CG2 3.99Å; I65-K75 HydrophobicContact CD1-CB 3.87Å; I65-K75 HydrophobicContact CD1-CD 4.15Å; I65-K75 HydrophobicContact CD1-CG 3.97Å
66M89.1Confident91Very high37 Ų3745.6 Ų45.618%0.18223%0.23CC..Hα-helixtrans-61.8-39.1179.4-71.8171.857.200113.2F62 N68 D69 V72 V234 Y235 R238F62-M66 WeakPolarHBondContact O-CB 3.41Å; F62-M66 VanDerWaalsContact O-CG 3.27Å; F62-M66 WeakPolarHBondContact O-CG 3.38Å; F62-M66 PolarHBondContact O-N 2.8Å; M66-N68 PolarHBondContact O-N 3.14Å; M66-D69 PolarHBondContact O-N 3.02Å; M66-V72 HydrophobicContact CG-CG2 4.2Å; M66-V234 HydrophobicContact CE-CG1 3.54Å; M66-V234 HydrophobicContact SD-CG1 4.29Å; M66-Y235 HydrophobicContact CE-CD1 3.87Å; M66-Y235 HydrophobicContact CE-CE1 3.94Å; M66-R238 HydrophobicContact CE-CB 4.39Å; M66-R238 HydrophobicContact SD-CB 3.47Å; M66-R238 WeakPolarHBondContact SD-CB 3.49Å; M66-R238 VanDerWaalsContact SD-CD 3.52Å; M66-R238 HydrophobicContact SD-CG 4.15Å
67K87.7Confident91.3Very high152 Ų15244.6 Ų44.666%0.66123%0.225SC*.Hα-helixtrans-65.7-24.7177.5-80.4179.8176.9-174.30113.7V63 R64 I65 D69V63-K67 HydrophobicContact CG1-CD 4.25Å; V63-K67 WeakPolarHBondContact O-CB 3.18Å; V63-K67 VanDerWaalsContact O-CG 3.3Å; V63-K67 WeakPolarHBondContact O-CG 3.39Å; V63-K67 PolarHBondContact O-N 2.91Å; R64-K67 PolarHBondContact O-N 3.13Å; I65-K67 VanDerWaalsContact C-N 3.35Å; I65-K67 PolarHBondContact O-N 2.9Å; K67-D69 VanDerWaalsContact C-N 3.35Å
68N88.8Confident91.5Very high124 Ų12449 Ų4966%0.66325%0.245SC*.THydrogen-bonded Turntrans-99.318.3179.1-64.5-9.3000111.6R64 I65 M66 G70R64-N68 PolarHBondContact O-N 3.33Å; I65-N68 CarbonylContact O-C 3.5Å; I65-N68 PolarHBondContact O-N 3.25Å; I65-N68 VanDerWaalsContact O-N 3.14Å; M66-N68 PolarHBondContact O-N 3.14Å; N68-G70 PolarHBondContact O-N 3.5Å; N68-G70 VanDerWaalsContact O-N 3.11Å
69D84.1Confident91.6Very high104 Ų10449.5 Ų49.556%0.55625%0.247SC*.THydrogen-bonded Turntrans53.429.5-175.8-61.1-48.6000114.1I65 M66 K67I65-D69 PolarHBondContact O-N 3.3Å; M66-D69 PolarHBondContact O-N 3.02Å; K67-D69 VanDerWaalsContact C-N 3.35Å
70G88.4Confident91.8Very high29 Ų2949.4 Ų49.430%0.29925%0.247SC..  trans-87163176.900000112.9I65 N68I65-G70 WeakPolarHBondContact CG2-O 3.48Å; I65-G70 WeakPolarHBondContact O-CA 3.29Å; I65-G70 PolarHBondContact O-N 2.83Å; N68-G70 PolarHBondContact O-N 3.5Å; N68-G70 VanDerWaalsContact O-N 3.11Å
71I91.4Very high91.8Very high14 Ų1453.1 Ų53.17%0.07226%0.26CS..  trans-98.7115.7-179-52.2-56.9000110.5H73 N74 L488 D490 L494I71-H73 HydrophobicContact CG2-CB 3.98Å; I71-H73 PolarHBondContact O-N 2.75Å; I71-N74 HydrophobicContact CB-CB 4.44Å; I71-N74 WeakPolarHBondContact O-CB 3.39Å; I71-N74 PolarHBondContact O-N 2.96Å; I71-L488 HydrophobicContact CD1-CB 3.77Å; I71-L488 WeakPolarHBondContact CD1-O 3.28Å; I71-L488 HydrophobicContact CG1-CB 3.89Å; I71-D490 HydrophobicContact CD1-CB 3.91Å; I71-L494 HydrophobicContact CG2-CD2 4.44Å
72V91.9Very high92Very high3 Ų356.3 Ų56.32%0.01828%0.28CS..Hα-helixtrans-59.7-33.9178.9174.40000111.4F62 I65 M66 N74 K75 F76F62-V72 HydrophobicContact CB-CG2 4.3Å; F62-V72 HydrophobicContact CD1-CG1 3.6Å; F62-V72 HydrophobicContact CD1-CG2 4.42Å; F62-V72 HydrophobicContact CE1-CG1 3.96Å; F62-V72 HydrophobicContact CG-CG1 4.23Å; I65-V72 HydrophobicContact CB-CG2 4.39Å; I65-V72 HydrophobicContact CG2-CG2 3.99Å; M66-V72 HydrophobicContact CG-CG2 4.2Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.11Å; V72-K75 WeakPolarHBondContact O-CA 3.25Å; V72-K75 VanDerWaalsContact O-CB 3.26Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 3.01Å; V72-F76 HydrophobicContact CG1-CE1 3.83Å; V72-F76 HydrophobicContact CG1-CE2 3.94Å; V72-F76 HydrophobicContact CG1-CZ 3.49Å; V72-F76 VanDerWaalsContact CG1-CZ 3.49Å; V72-F76 PolarHBondContact O-N 3.2Å
73H92.5Very high92.1Very high15 Ų1559.6 Ų59.67%0.06929%0.293CS..Hα-helixtrans-66.3-25.4177.8-63-75.9000114I71 K75 F76 L77 R238 P386 Y414 D490I71-H73 HydrophobicContact CG2-CB 3.98Å; I71-H73 PolarHBondContact O-N 2.75Å; H73-K75 VanDerWaalsContact C-N 3.29Å; H73-F76 AromaticContact CE1-CE2 3.93Å; H73-F76 AromaticContact ND1-CD2 3.55Å; H73-F76 AromaticContact ND1-CE2 3.76Å; H73-F76 PolarHBondContact O-N 3.04Å; H73-L77 PolarHBondContact O-N 3.14Å; H73-L77 VanDerWaalsContact O-N 3.1Å; H73-R238 PolarHBondContact NE2-NH2 3.21Å; H73-P386 WeakPolarHBondContact CE1-CG 3.35Å; H73-P386 WeakPolarHBondContact NE2-CG 3.39Å; H73-Y414 HydrophobicContact CB-CD1 3.52Å; H73-Y414 HydrophobicContact CB-CD2 4.29Å; H73-Y414 HydrophobicContact CB-CE1 3.84Å; H73-Y414 HydrophobicContact CB-CG 3.77Å; H73-D490 IonicContact CD2-OD2 3.19Å; H73-D490 IonicContact NE2-OD2 3.54Å
74N94Very high92.1Very high75 Ų7559.6 Ų59.640%0.40130%0.297SS..Hα-helixtrans-65.4-36.9169.3-73.4-14.9000111.1I71 V72 F76 L77 E78 Y414I71-N74 HydrophobicContact CB-CB 4.44Å; I71-N74 WeakPolarHBondContact O-CB 3.39Å; I71-N74 PolarHBondContact O-N 2.96Å; V72-N74 VanDerWaalsContact C-N 3.29Å; V72-N74 PolarHBondContact O-N 3.11Å; N74-F76 VanDerWaalsContact C-N 3.29Å; N74-F76 PolarHBondContact O-N 2.94Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 3.18Å; N74-E78 PolarHBondContact O-N 3.13Å; N74-Y414 VanDerWaalsContact OD1-CE1 3.3Å; N74-Y414 WeakPolarHBondContact OD1-CE1 3.34Å; N74-Y414 VanDerWaalsContact OD1-CZ 3.3Å; N74-Y414 PolarHBondContact OD1-OH 3.49Å
75K93.9Very high92.1Very high46 Ų4653 Ų5320%0.228%0.276CS..Hα-helixtrans-66.1-34.4175.8-162.473.1-160.7167.70111.8I65 V72 H73 E78 W79I65-K75 HydrophobicContact CD1-CB 3.87Å; I65-K75 HydrophobicContact CD1-CD 4.15Å; I65-K75 HydrophobicContact CD1-CG 3.97Å; V72-K75 WeakPolarHBondContact O-CA 3.25Å; V72-K75 VanDerWaalsContact O-CB 3.26Å; V72-K75 WeakPolarHBondContact O-CB 3.42Å; V72-K75 PolarHBondContact O-N 3.01Å; H73-K75 VanDerWaalsContact C-N 3.29Å; K75-E78 WeakPolarHBondContact CD-OE2 3.37Å; K75-E78 WeakPolarHBondContact CE-OE2 3.37Å; K75-E78 IonicContact NZ-OE1 3.28Å; K75-E78 PolarHBondContact NZ-OE1 3.43Å; K75-E78 IonicContact NZ-OE2 3.37Å; K75-E78 PolarHBondContact NZ-OE2 3.14Å; K75-W79 HydrophobicContact CD-CZ2 4.35Å; K75-W79 HydrophobicContact CG-CD2 4.04Å; K75-W79 HydrophobicContact CG-CE3 4.32Å; K75-W79 HydrophobicContact CG-CH2 4.04Å; K75-W79 HydrophobicContact CG-CZ2 3.71Å; K75-W79 HydrophobicContact CG-CZ3 4.34Å; K75-W79 WeakPolarHBondContact O-CB 3.47Å; K75-W79 VanDerWaalsContact O-CG 3.26Å; K75-W79 PolarHBondContact O-N 3.42Å
76F94.4Very high92.2Very high12 Ų1251.7 Ų51.75%0.05327%0.27CS..Hα-helixtrans-67.5-38.3174.4-60.2-22.9000112.6F62 V72 H73 N74 W79 A80 Y87 M89 M410F62-F76 AromaticContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CE1 3.69Å; F62-F76 HydrophobicContact CE1-CZ 4.33Å; F62-F76 AromaticContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CE1 3.83Å; F62-F76 HydrophobicContact CZ-CZ 4.36Å; V72-F76 HydrophobicContact CG1-CE1 3.83Å; V72-F76 HydrophobicContact CG1-CE2 3.94Å; V72-F76 HydrophobicContact CG1-CZ 3.49Å; V72-F76 VanDerWaalsContact CG1-CZ 3.49Å; V72-F76 PolarHBondContact O-N 3.2Å; H73-F76 AromaticContact CE1-CE2 3.93Å; H73-F76 AromaticContact ND1-CD2 3.55Å; H73-F76 AromaticContact ND1-CE2 3.76Å; H73-F76 PolarHBondContact O-N 3.04Å; N74-F76 VanDerWaalsContact C-N 3.29Å; N74-F76 PolarHBondContact O-N 2.94Å; F76-W79 HydrophobicContact CD1-CE3 4.05Å; F76-W79 HydrophobicContact CD1-CZ3 4.15Å; F76-W79 HydrophobicContact CE1-CZ3 4.2Å; F76-A80 WeakPolarHBondContact O-CB 3.31Å; F76-A80 PolarHBondContact O-N 3.2Å; F76-Y87 VanDerWaalsContact CA-OH 3.24Å; F76-Y87 WeakPolarHBondContact CA-OH 3.34Å; F76-Y87 WeakPolarHBondContact CB-OH 3.43Å; F76-Y87 PolarHBondContact O-OH 2.99Å; F76-M89 HydrophobicContact CD1-SD 4.2Å; F76-M89 HydrophobicContact CE1-CE 3.89Å; F76-M89 HydrophobicContact CE1-SD 3.53Å; F76-M89 VanDerWaalsContact CE1-SD 3.53Å; F76-M89 HydrophobicContact CZ-CE 3.88Å; F76-M89 HydrophobicContact CZ-SD 4.12Å; F76-M410 HydrophobicContact CD1-CE 4.27Å; F76-M410 HydrophobicContact CD2-CE 3.33Å; F76-M410 HydrophobicContact CD2-SD 4.48Å; F76-M410 HydrophobicContact CE1-CE 4.25Å; F76-M410 HydrophobicContact CE2-CE 3.31Å; F76-M410 HydrophobicContact CE2-SD 3.94Å; F76-M410 HydrophobicContact CG-CE 3.84Å; F76-M410 HydrophobicContact CZ-CE 3.79Å; F76-M410 HydrophobicContact CZ-SD 4.32Å
77L94.8Very high92.5Very high22 Ų2250 Ų5012%0.11526%0.261CS..Hα-helixtrans-62.5-50.8172.3176.261.9000111.2H73 N74 W79 A80 E81 A415 R418 M419H73-L77 PolarHBondContact O-N 3.14Å; H73-L77 VanDerWaalsContact O-N 3.1Å; N74-L77 WeakPolarHBondContact O-CB 3.42Å; N74-L77 PolarHBondContact O-N 3.18Å; L77-W79 VanDerWaalsContact C-N 3.27Å; L77-W79 PolarHBondContact O-N 2.97Å; L77-A80 WeakPolarHBondContact O-CB 3.22Å; L77-A80 PolarHBondContact O-N 2.91Å; L77-E81 HydrophobicContact CD1-CG 4.33Å; L77-E81 WeakPolarHBondContact O-CG 3.42Å; L77-E81 PolarHBondContact O-N 3.29Å; L77-A415 HydrophobicContact CB-CB 4.38Å; L77-A415 HydrophobicContact CD1-CB 4.3Å; L77-R418 HydrophobicContact CD1-CB 4.21Å; L77-R418 HydrophobicContact CD2-CB 3.72Å; L77-R418 HydrophobicContact CD2-CG 4.43Å; L77-M419 HydrophobicContact CD1-CG 3.88Å
78E95.3Very high92.9Very high91 Ų9143.8 Ų43.843%0.42523%0.234SC..Hα-helixtrans-55.4-43.1177.6-175.2-163.8140.600111.8N74 K75 E81 T82N74-E78 PolarHBondContact O-N 3.13Å; K75-E78 WeakPolarHBondContact CD-OE2 3.37Å; K75-E78 WeakPolarHBondContact CE-OE2 3.37Å; K75-E78 IonicContact NZ-OE1 3.28Å; K75-E78 PolarHBondContact NZ-OE1 3.43Å; K75-E78 IonicContact NZ-OE2 3.37Å; K75-E78 PolarHBondContact NZ-OE2 3.14Å; E78-E81 PolarHBondContact O-N 3.24Å; E78-T82 WeakPolarHBondContact O-CB 3.46Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 3.35Å
79W95.6Very high93.2Very high12 Ų1238 Ų385%0.04520%0.203CC..Hα-helixtrans-70.1-35.2177.2-71.3-18.1000113.3P49 H58 T61 F62 K75 F76 L77 E81 T82 Y83 Y87 M89P49-W79 HydrophobicContact CB-CD2 4.29Å; P49-W79 HydrophobicContact CB-CZ2 3.83Å; P49-W79 HydrophobicContact CG-CD2 3.76Å; P49-W79 HydrophobicContact CG-CE3 4Å; P49-W79 HydrophobicContact CG-CG 4.33Å; P49-W79 HydrophobicContact CG-CH2 4.01Å; P49-W79 HydrophobicContact CG-CZ2 3.77Å; P49-W79 HydrophobicContact CG-CZ3 4.11Å; H58-W79 HydrophobicContact CB-CH2 4.38Å; T61-W79 HydrophobicContact CG2-CH2 4.44Å; T61-W79 HydrophobicContact CG2-CZ2 4.38Å; F62-W79 AromaticContact CE1-CH2 3.79Å; F62-W79 HydrophobicContact CE1-CH2 3.79Å; F62-W79 AromaticContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CE1-CZ3 3.79Å; F62-W79 HydrophobicContact CZ-CH2 4.13Å; F62-W79 AromaticContact CZ-CZ3 3.96Å; F62-W79 HydrophobicContact CZ-CZ3 3.96Å; K75-W79 HydrophobicContact CD-CZ2 4.35Å; K75-W79 HydrophobicContact CG-CD2 4.04Å; K75-W79 HydrophobicContact CG-CE3 4.32Å; K75-W79 HydrophobicContact CG-CH2 4.04Å; K75-W79 HydrophobicContact CG-CZ2 3.71Å; K75-W79 HydrophobicContact CG-CZ3 4.34Å; K75-W79 WeakPolarHBondContact O-CB 3.47Å; K75-W79 VanDerWaalsContact O-CG 3.26Å; K75-W79 PolarHBondContact O-N 3.42Å; F76-W79 HydrophobicContact CD1-CE3 4.05Å; F76-W79 HydrophobicContact CD1-CZ3 4.15Å; F76-W79 HydrophobicContact CE1-CZ3 4.2Å; L77-W79 VanDerWaalsContact C-N 3.27Å; L77-W79 PolarHBondContact O-N 2.97Å; W79-E81 VanDerWaalsContact C-N 3.31Å; W79-T82 PolarHBondContact O-N 2.75Å; W79-Y83 HydrophobicContact CB-CD2 4Å; W79-Y83 HydrophobicContact CB-CE2 4.4Å; W79-Y83 AromaticContact CD1-CE2 3.69Å; W79-Y83 HydrophobicContact CG-CD2 4.25Å; W79-Y83 HydrophobicContact CG-CE2 4.15Å; W79-Y83 WeakPolarHBondContact O-CB 3.2Å; W79-Y83 WeakPolarHBondContact O-CD2 3.25Å; W79-Y83 PolarHBondContact O-N 2.78Å; W79-Y87 HydrophobicContact CB-CD1 4.37Å; W79-Y87 HydrophobicContact CB-CD2 4.09Å; W79-Y87 HydrophobicContact CB-CE1 3.97Å; W79-Y87 HydrophobicContact CB-CE2 3.7Å; W79-Y87 HydrophobicContact CB-CG 4.42Å; W79-Y87 HydrophobicContact CD2-CE2 4.31Å; W79-Y87 AromaticContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CG-CE2 4.37Å; W79-M89 HydrophobicContact CZ3-CB 4.45Å; W79-M89 HydrophobicContact CZ3-SD 4.17Å
80A94.3Very high93.5Very high3 Ų333.1 Ų33.13%0.02518%0.177CC..Hα-helixtrans-63.6-39.2173.100000111.6F76 L77 G84 Y87 T100F76-A80 WeakPolarHBondContact O-CB 3.31Å; F76-A80 PolarHBondContact O-N 3.2Å; L77-A80 WeakPolarHBondContact O-CB 3.22Å; L77-A80 PolarHBondContact O-N 2.91Å; A80-G84 CarbonylContact O-C 3.54Å; A80-G84 VanDerWaalsContact O-CA 3.31Å; A80-G84 WeakPolarHBondContact O-CA 3.26Å; A80-G84 PolarHBondContact O-N 3.2Å; A80-G84 VanDerWaalsContact O-N 3.1Å; A80-G84 VanDerWaalsContact O-O 3.11Å; A80-Y87 HydrophobicContact CB-CD1 4.42Å; A80-Y87 HydrophobicContact CB-CE1 3.96Å; A80-T100 HydrophobicContact CB-CG2 4.01Å
81E93.4Very high93.6Very high124 Ų12432.3 Ų32.358%0.57917%0.166SC*.Hα-helixtrans-71.1-34.6176.7-68.5175163.100112.3L77 E78 W79L77-E81 HydrophobicContact CD1-CG 4.33Å; L77-E81 WeakPolarHBondContact O-CG 3.42Å; L77-E81 PolarHBondContact O-N 3.29Å; E78-E81 PolarHBondContact O-N 3.24Å; W79-E81 VanDerWaalsContact C-N 3.31Å
82T95.2Very high93.4Very high90 Ų9033.3 Ų33.355%0.55217%0.171SC*.Hα-helixtrans-82.1-44.1-177.3-55.70000113.3E78 W79E78-T82 WeakPolarHBondContact O-CB 3.46Å; E78-T82 PolarHBondContact O-N 2.68Å; E78-T82 PolarHBondContact O-OG1 3.35Å; W79-T82 PolarHBondContact O-N 2.75Å
83Y93.9Very high93.3Very high74 Ų7435.1 Ų35.129%0.2918%0.179SC..Hα-helixtrans-104-6.5-171.2-61.8-68.6000113.4G48 P49 W79G48-Y83 WeakPolarHBondContact O-CE1 2.93Å; P49-Y83 WeakPolarHBondContact CA-OH 3.15Å; P49-Y83 HydrophobicContact CB-CE2 4.01Å; P49-Y83 HydrophobicContact CG-CE2 4.37Å; W79-Y83 HydrophobicContact CB-CD2 4Å; W79-Y83 HydrophobicContact CB-CE2 4.4Å; W79-Y83 AromaticContact CD1-CE2 3.69Å; W79-Y83 HydrophobicContact CG-CD2 4.25Å; W79-Y83 HydrophobicContact CG-CE2 4.15Å; W79-Y83 WeakPolarHBondContact O-CB 3.2Å; W79-Y83 WeakPolarHBondContact O-CD2 3.25Å; W79-Y83 PolarHBondContact O-N 2.78Å
84G91.9Very high93.2Very high22 Ų2238.7 Ų38.723%0.22719%0.192CC..  trans93.7-171178.600000113.8A80 V86A80-G84 CarbonylContact O-C 3.54Å; A80-G84 VanDerWaalsContact O-CA 3.31Å; A80-G84 WeakPolarHBondContact O-CA 3.26Å; A80-G84 PolarHBondContact O-N 3.2Å; A80-G84 VanDerWaalsContact O-N 3.1Å; A80-G84 VanDerWaalsContact O-O 3.11Å; G84-V86 PolarHBondContact O-N 3.18Å
85P91.4Very high93.2Very high33 Ų3335.4 Ų35.421%0.21418%0.175CC..SBendtrans-71.7-16.5-16626.7-33.6000114.5V99 T100 D399P85-V99 WeakPolarHBondContact O-CA 3.49Å; P85-T100 VanDerWaalsContact CA-OG1 3.28Å; P85-T100 WeakPolarHBondContact CA-OG1 3.43Å; P85-T100 PolarHBondContact O-N 3.28Å; P85-T100 PolarHBondContact O-OG1 2.88Å; P85-D399 HydrophobicContact CG-CB 4.24Å; P85-D399 WeakPolarHBondContact CG-OD2 3.46Å
86V94.8Very high93.2Very high4 Ų433.8 Ų33.82%0.02417%0.168CC..EExtended strand (participates in β ladder)trans-129.6114.2173.6-175.50000108.1G84 V99 I398 D399 L403G84-V86 PolarHBondContact O-N 3.18Å; V86-V99 HydrophobicContact CG1-CG2 4.47Å; V86-V99 HydrophobicContact CG2-CG2 4.49Å; V86-I398 HydrophobicContact CG2-CB 3.98Å; V86-I398 HydrophobicContact CG2-CG2 3.47Å; V86-I398 VanDerWaalsContact CG2-CG2 3.47Å; V86-D399 HydrophobicContact CG2-CB 4.44Å; V86-L403 HydrophobicContact CG1-CD1 4.26Å; V86-L403 HydrophobicContact CG1-CD2 4.09Å
87Y95.5Very high93.3Very high0 Ų033.2 Ų33.20%017%0.166CC..EExtended strand (participates in β ladder)trans-135.2151174.174-94000111.5P47 F76 W79 A80 L97 V98P47-Y87 CarbonylContact O-C 3.55Å; P47-Y87 VanDerWaalsContact O-CA 3.22Å; P47-Y87 WeakPolarHBondContact O-CA 3.44Å; F76-Y87 VanDerWaalsContact CA-OH 3.24Å; F76-Y87 WeakPolarHBondContact CA-OH 3.34Å; F76-Y87 WeakPolarHBondContact CB-OH 3.43Å; F76-Y87 PolarHBondContact O-OH 2.99Å; W79-Y87 HydrophobicContact CB-CD1 4.37Å; W79-Y87 HydrophobicContact CB-CD2 4.09Å; W79-Y87 HydrophobicContact CB-CE1 3.97Å; W79-Y87 HydrophobicContact CB-CE2 3.7Å; W79-Y87 HydrophobicContact CB-CG 4.42Å; W79-Y87 HydrophobicContact CD2-CE2 4.31Å; W79-Y87 AromaticContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CE3-CE2 3.71Å; W79-Y87 HydrophobicContact CG-CE2 4.37Å; A80-Y87 HydrophobicContact CB-CD1 4.42Å; A80-Y87 HydrophobicContact CB-CE1 3.96Å; Y87-L97 WeakPolarHBondContact O-CA 3.32Å; Y87-V98 HydrophobicContact CD1-CB 4.08Å; Y87-V98 HydrophobicContact CD2-CB 4.38Å; Y87-V98 HydrophobicContact CD2-CG2 4.41Å; Y87-V98 HydrophobicContact CE1-CB 3.49Å; Y87-V98 VanDerWaalsContact CE1-CB 3.49Å; Y87-V98 HydrophobicContact CE1-CG1 3.71Å; Y87-V98 HydrophobicContact CE1-CG2 4.18Å; Y87-V98 HydrophobicContact CE2-CB 3.8Å; Y87-V98 HydrophobicContact CE2-CG2 3.59Å; Y87-V98 HydrophobicContact CG-CB 4.49Å; Y87-V98 VanDerWaalsContact CZ-CG2 3.46Å; Y87-V98 PolarHBondContact N-O 3.36Å; Y87-V98 VanDerWaalsContact N-O 3.17Å; Y87-V98 PolarHBondContact O-N 2.68Å; Y87-V98 WeakPolarHBondContact OH-CB 3.37Å; Y87-V98 WeakPolarHBondContact OH-CG1 3.46Å; Y87-V98 WeakPolarHBondContact OH-CG2 3.39Å
88R95.2Very high93.3Very high23 Ų2332.2 Ų32.29%0.08716%0.161CC..EExtended strand (participates in β ladder)trans-92.4148.918079.9-168.7-174.7147.4-0.7112Y43 D44 I46 P47 P49 R51 L97Y43-R88 VanDerWaalsContact O-CD 3.28Å; Y43-R88 WeakPolarHBondContact O-CD 3.23Å; Y43-R88 PolarHBondContact O-NH1 2.73Å; D44-R88 IonicContact OD1-CZ 3.68Å; D44-R88 IonicContact OD1-NH1 2.71Å; D44-R88 PolarHBondContact OD1-NH1 3.44Å; D44-R88 IonicContact OD1-NH2 2.73Å; D44-R88 PolarHBondContact OD1-NH2 3.24Å; I46-R88 HydrophobicContact CB-CB 4.45Å; I46-R88 HydrophobicContact CG2-CB 4.16Å; I46-R88 WeakPolarHBondContact O-CD 3.48Å; P47-R88 PolarHBondContact O-N 3.01Å; P49-R88 WeakPolarHBondContact CD-O 3.08Å; R51-R88 VanDerWaalsContact NH2-CZ 3.29Å; R88-L97 HydrophobicContact CB-CD2 3.45Å; R88-L97 VanDerWaalsContact CB-CD2 3.45Å
89M94.4Very high93.3Very high3 Ų327.9 Ų27.92%0.01514%0.14CC..EExtended strand (participates in β ladder)trans-142.1165160.165.8-179.2-177.900109.8F62 F76 W79 I96 V98 M410F62-M89 HydrophobicContact CZ-SD 3.84Å; F76-M89 HydrophobicContact CD1-SD 4.2Å; F76-M89 HydrophobicContact CE1-CE 3.89Å; F76-M89 HydrophobicContact CE1-SD 3.53Å; F76-M89 VanDerWaalsContact CE1-SD 3.53Å; F76-M89 HydrophobicContact CZ-CE 3.88Å; F76-M89 HydrophobicContact CZ-SD 4.12Å; W79-M89 HydrophobicContact CZ3-CB 4.45Å; W79-M89 HydrophobicContact CZ3-SD 4.17Å; M89-I96 HydrophobicContact CE-CB 3.87Å; M89-I96 HydrophobicContact CE-CD1 4.06Å; M89-I96 HydrophobicContact CE-CG2 3.41Å; M89-I96 VanDerWaalsContact CE-CG2 3.41Å; M89-I96 HydrophobicContact CG-CB 3.84Å; M89-I96 HydrophobicContact CG-CG2 4.28Å; M89-I96 PolarHBondContact N-O 3.27Å; M89-I96 PolarHBondContact O-N 3.47Å; M89-V98 HydrophobicContact CE-CG2 3.67Å; M89-V98 HydrophobicContact CG-CG2 4.31Å; M89-V98 HydrophobicContact SD-CG2 3.97Å; M89-M410 HydrophobicContact CE-CE 3.65Å; M89-M410 HydrophobicContact CE-SD 3.69Å
90N91.7Very high93.2Very high0 Ų027.3 Ų27.30%014%0.138CC..EExtended strand (participates in β ladder)trans-129.6132.9-174.1-70.270.1000109.3R51 H58 Y94 I95R51-N90 PolarHBondContact NE-OD1 3.35Å; H58-N90 PolarHBondContact N-O 2.74Å; H58-N90 PolarHBondContact ND1-N 2.91Å; H58-N90 PolarHBondContact ND1-O 2.92Å; N90-Y94 WeakPolarHBondContact CA-O 3.3Å; N90-I95 WeakPolarHBondContact ND2-CD1 3.37Å
91I89.8Confident93.1Very high13 Ų1327.7 Ų27.77%0.06714%0.141CC..EExtended strand (participates in β ladder)trans-124.3111.4165.3-61-178000106.1S59 F62 Y94 I96 F119S59-I91 WeakPolarHBondContact OG-CG2 3.28Å; F62-I91 HydrophobicContact CD2-CD1 4.31Å; F62-I91 HydrophobicContact CE2-CD1 3.89Å; F62-I91 HydrophobicContact CE2-CG1 3.94Å; I91-Y94 PolarHBondContact N-O 2.72Å; I91-Y94 VanDerWaalsContact N-O 3.11Å; I91-Y94 WeakPolarHBondContact O-CB 3.34Å; I91-Y94 PolarHBondContact O-N 3.01Å; I91-I96 HydrophobicContact CB-CD1 4.31Å; I91-I96 HydrophobicContact CD1-CD1 3.59Å; I91-I96 HydrophobicContact CG1-CD1 3.85Å; I91-F119 HydrophobicContact CB-CE1 4.4Å; I91-F119 HydrophobicContact CB-CZ 4.04Å; I91-F119 HydrophobicContact CD1-CE1 4.33Å; I91-F119 HydrophobicContact CG2-CE1 3.99Å; I91-F119 HydrophobicContact CG2-CE2 4.18Å; I91-F119 HydrophobicContact CG2-CZ 3.36Å
92L88.1Confident93.1Very high35 Ų3522.6 Ų22.618%0.18312%0.118CC..THydrogen-bonded Turntrans55.6-136.8-166.3-52171.8000111F55 L56 Y94F55-L92 VanDerWaalsContact O-CA 3.3Å; F55-L92 WeakPolarHBondContact O-CA 3.37Å; L56-L92 HydrophobicContact CD2-CD2 3.65Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 HydrophobicContact CB-CD2 4.4Å
93H88.8Confident93Very high40 Ų4024.6 Ų24.619%0.18512%0.121CC..THydrogen-bonded Turntrans-79.5-4.5172.961.8-91.6000113.5Y32 Y35 I36Y32-H93 HydrophobicContact CE2-CB 4.34Å; Y32-H93 AromaticContact CE2-ND1 3.71Å; Y32-H93 AromaticContact CZ-ND1 3.79Å; Y32-H93 PolarHBondContact OH-ND1 2.83Å; Y35-H93 HydrophobicContact CD1-CB 4.44Å; Y35-H93 HydrophobicContact CE1-CB 3.96Å; Y35-H93 AromaticContact CE1-CD2 3.9Å; I36-H93 HydrophobicContact CG1-CB 4.07Å
94Y91.3Very high93Very high90 Ų9021.2 Ų21.235%0.35311%0.109SC..EExtended strand (participates in β ladder)trans-80.3129.4-179-63.7-89.6000110.7N90 I91 L92 F119N90-Y94 WeakPolarHBondContact CA-O 3.3Å; I91-Y94 PolarHBondContact N-O 2.72Å; I91-Y94 VanDerWaalsContact N-O 3.11Å; I91-Y94 WeakPolarHBondContact O-CB 3.34Å; I91-Y94 PolarHBondContact O-N 3.01Å; L92-Y94 VanDerWaalsContact C-N 3.26Å; L92-Y94 HydrophobicContact CB-CD2 4.4Å; Y94-F119 HydrophobicContact CD1-CB 4.19Å; Y94-F119 AromaticContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CG 4.37Å; Y94-F119 AromaticContact CD2-CD2 3.18Å; Y94-F119 HydrophobicContact CD2-CD2 3.18Å; Y94-F119 AromaticContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CG 4.32Å; Y94-F119 HydrophobicContact CE1-CB 4.39Å; Y94-F119 AromaticContact CE1-CD2 3.99Å; Y94-F119 HydrophobicContact CE1-CD2 3.99Å; Y94-F119 AromaticContact CE2-CD2 3.36Å; Y94-F119 HydrophobicContact CE2-CD2 3.36Å; Y94-F119 AromaticContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CG-CB 4.47Å; Y94-F119 AromaticContact CG-CD2 3.41Å; Y94-F119 HydrophobicContact CG-CD2 3.41Å; Y94-F119 VanDerWaalsContact CG-CD2 3.41Å; Y94-F119 AromaticContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CG 4.17Å; Y94-F119 AromaticContact CZ-CD2 3.77Å
95I93.7Very high93.2Very high6 Ų620.2 Ų20.23%0.03110%0.098CC..EExtended strand (participates in β ladder)trans-89.7126.3173.9-55.7-52.7000109.2I39 Y43 N90 L97 F407 T408I39-I95 HydrophobicContact CG2-CD1 3.46Å; I39-I95 VanDerWaalsContact CG2-CD1 3.46Å; I39-I95 HydrophobicContact CG2-CG1 3.58Å; Y43-I95 HydrophobicContact CD1-CG2 3.92Å; Y43-I95 HydrophobicContact CD2-CB 4.5Å; Y43-I95 HydrophobicContact CD2-CD1 4.22Å; Y43-I95 HydrophobicContact CD2-CG1 3.64Å; Y43-I95 HydrophobicContact CD2-CG2 4.37Å; Y43-I95 HydrophobicContact CE1-CG2 4.07Å; Y43-I95 HydrophobicContact CE2-CB 4.37Å; Y43-I95 HydrophobicContact CE2-CG1 3.68Å; Y43-I95 HydrophobicContact CE2-CG2 4.49Å; Y43-I95 HydrophobicContact CG-CG1 4.15Å; Y43-I95 HydrophobicContact CG-CG2 4.06Å; N90-I95 WeakPolarHBondContact ND2-CD1 3.37Å; I95-L97 HydrophobicContact CG2-CD2 3.99Å; I95-L97 HydrophobicContact CG2-CG 4.3Å; I95-F407 HydrophobicContact CB-CB 4.12Å; I95-F407 HydrophobicContact CG2-CB 3.94Å; I95-T408 PolarHBondContact O-N 2.73Å
96I94.7Very high93.3Very high12 Ų1223.7 Ų23.76%0.06211%0.11CC..EExtended strand (participates in β ladder)trans-120.1120.2173.3-52172.4000107.3M89 I91 T408 M410M89-I96 HydrophobicContact CE-CB 3.87Å; M89-I96 HydrophobicContact CE-CD1 4.06Å; M89-I96 HydrophobicContact CE-CG2 3.41Å; M89-I96 VanDerWaalsContact CE-CG2 3.41Å; M89-I96 HydrophobicContact CG-CB 3.84Å; M89-I96 HydrophobicContact CG-CG2 4.28Å; M89-I96 PolarHBondContact N-O 3.27Å; M89-I96 PolarHBondContact O-N 3.47Å; I91-I96 HydrophobicContact CB-CD1 4.31Å; I91-I96 HydrophobicContact CD1-CD1 3.59Å; I91-I96 HydrophobicContact CG1-CD1 3.85Å; I96-T408 CarbonylContact C-O 3.58Å; I96-T408 VanDerWaalsContact CA-O 3.27Å; I96-T408 WeakPolarHBondContact CA-O 3.31Å; I96-T408 HydrophobicContact CG2-CG2 4.27Å; I96-M410 HydrophobicContact CG2-CB 3.8Å
97L95.3Very high93.3Very high0 Ų028 Ų280%013%0.13CC..EExtended strand (participates in β ladder)trans-100.1123.8171.5-59.9-170.8000108.2I46 Y87 R88 I95 L403 F407 T408 C409 M410I46-L97 HydrophobicContact CD1-CD1 3.98Å; I46-L97 HydrophobicContact CD1-CD2 4.06Å; I46-L97 HydrophobicContact CG2-CD2 4.31Å; Y87-L97 WeakPolarHBondContact O-CA 3.32Å; R88-L97 HydrophobicContact CB-CD2 3.45Å; R88-L97 VanDerWaalsContact CB-CD2 3.45Å; I95-L97 HydrophobicContact CG2-CD2 3.99Å; I95-L97 HydrophobicContact CG2-CG 4.3Å; L97-L403 HydrophobicContact CD1-CB 4.23Å; L97-L403 HydrophobicContact CD1-CD1 3.82Å; L97-L403 HydrophobicContact CD1-CD2 3.72Å; L97-L403 HydrophobicContact CD1-CG 4.14Å; L97-F407 HydrophobicContact CB-CD2 3.84Å; L97-F407 HydrophobicContact CB-CE2 4.06Å; L97-F407 HydrophobicContact CD1-CD1 4.23Å; L97-F407 HydrophobicContact CD1-CD2 3.58Å; L97-F407 HydrophobicContact CD1-CE1 4.26Å; L97-F407 HydrophobicContact CD1-CE2 3.64Å; L97-F407 HydrophobicContact CD1-CG 3.89Å; L97-F407 HydrophobicContact CD1-CZ 3.98Å; L97-F407 HydrophobicContact CG-CB 4.37Å; L97-F407 HydrophobicContact CG-CD2 3.62Å; L97-F407 HydrophobicContact CG-CE2 4.07Å; L97-F407 HydrophobicContact CG-CG 4.05Å; L97-T408 PolarHBondContact N-O 3.1Å; L97-C409 CarbonylContact O-C 3.49Å; L97-C409 WeakPolarHBondContact O-CA 3.07Å; L97-M410 PolarHBondContact O-N 2.94Å
98V95.3Very high93.3Very high1 Ų128 Ų281%0.00613%0.13CC..EExtended strand (participates in β ladder)trans-93.2126.4174.9-172.70000107.9Y87 M89 M410Y87-V98 HydrophobicContact CD1-CB 4.08Å; Y87-V98 HydrophobicContact CD2-CB 4.38Å; Y87-V98 HydrophobicContact CD2-CG2 4.41Å; Y87-V98 HydrophobicContact CE1-CB 3.49Å; Y87-V98 VanDerWaalsContact CE1-CB 3.49Å; Y87-V98 HydrophobicContact CE1-CG1 3.71Å; Y87-V98 HydrophobicContact CE1-CG2 4.18Å; Y87-V98 HydrophobicContact CE2-CB 3.8Å; Y87-V98 HydrophobicContact CE2-CG2 3.59Å; Y87-V98 HydrophobicContact CG-CB 4.49Å; Y87-V98 VanDerWaalsContact CZ-CG2 3.46Å; Y87-V98 PolarHBondContact N-O 3.36Å; Y87-V98 VanDerWaalsContact N-O 3.17Å; Y87-V98 PolarHBondContact O-N 2.68Å; Y87-V98 WeakPolarHBondContact OH-CB 3.37Å; Y87-V98 WeakPolarHBondContact OH-CG1 3.46Å; Y87-V98 WeakPolarHBondContact OH-CG2 3.39Å; M89-V98 HydrophobicContact CE-CG2 3.67Å; M89-V98 HydrophobicContact CG-CG2 4.31Å; M89-V98 HydrophobicContact SD-CG2 3.97Å; V98-M410 WeakPolarHBondContact CA-O 3.32Å; V98-M410 HydrophobicContact CB-CE 4.18Å; V98-M410 HydrophobicContact CG1-CE 3.75Å; V98-M410 HydrophobicContact CG2-CB 4.33Å; V98-M410 HydrophobicContact CG2-CE 3.41Å; V98-M410 VanDerWaalsContact CG2-CE 3.41Å
99V94.5Very high93.3Very high0 Ų027 Ų270%013%0.126CC..EExtended strand (participates in β ladder)trans-120.8127.4-174.3179.50000109.1P85 V86 C101 A104 I398 C409 M410 L411P85-V99 WeakPolarHBondContact O-CA 3.49Å; V86-V99 HydrophobicContact CG1-CG2 4.47Å; V86-V99 HydrophobicContact CG2-CG2 4.49Å; V99-C101 HydrophobicContact CG1-CB 3.93Å; V99-A104 HydrophobicContact CG1-CB 3.69Å; V99-I398 HydrophobicContact CG1-CD1 4.37Å; V99-I398 HydrophobicContact CG1-CG2 4.08Å; V99-I398 HydrophobicContact CG2-CD1 4Å; V99-C409 VanDerWaalsContact CG2-SG 3.53Å; V99-M410 PolarHBondContact N-O 2.89Å; V99-L411 HydrophobicContact CB-CD2 4.11Å; V99-L411 HydrophobicContact CG1-CD2 4.34Å
100T93.9Very high93.2Very high1 Ų131.3 Ų31.31%0.00615%0.148CC..  trans-117.520.5175.458.30000112A80 P85 A415 M416 M419 F422A80-T100 HydrophobicContact CB-CG2 4.01Å; P85-T100 VanDerWaalsContact CA-OG1 3.28Å; P85-T100 WeakPolarHBondContact CA-OG1 3.43Å; P85-T100 PolarHBondContact O-N 3.28Å; P85-T100 PolarHBondContact O-OG1 2.88Å; T100-A415 HydrophobicContact CG2-CB 4.25Å; T100-M416 HydrophobicContact CG2-CG 4.01Å; T100-M416 WeakPolarHBondContact O-CE 3.48Å; T100-M419 HydrophobicContact CG2-SD 4.14Å; T100-F422 WeakPolarHBondContact O-CE2 3.38Å; T100-F422 WeakPolarHBondContact O-CZ 3.42Å
101C93Very high93.2Very high11 Ų1133.1 Ų33.17%0.07416%0.16CC..  trans-87.5124.7175.9168.10000110.9V99 E103 A104 T105 I398V99-C101 HydrophobicContact CG1-CB 3.93Å; C101-E103 PolarHBondContact O-N 3.26Å; C101-E103 PolarHBondContact SG-OE2 3.43Å; C101-A104 HydrophobicContact CB-CB 4.01Å; C101-A104 PolarHBondContact O-N 2.85Å; C101-A104 PolarHBondContact SG-N 2.88Å; C101-T105 WeakPolarHBondContact O-CB 3.48Å; C101-T105 PolarHBondContact O-N 2.61Å; C101-T105 PolarHBondContact O-OG1 3.49Å; C101-I398 HydrophobicContact CB-CG2 4.09Å
102P93.7Very high93.1Very high16 Ų1635.8 Ų35.810%0.10418%0.178CC..Hα-helixtrans-62.5-38.2178.7-24.235.4000113.5T105 K106 M416 F422 Y443 C444P102-T105 WeakPolarHBondContact O-CB 3.18Å; P102-T105 PolarHBondContact O-N 3.18Å; P102-K106 PolarHBondContact O-N 3.33Å; P102-M416 HydrophobicContact CG-CE 4.1Å; P102-F422 HydrophobicContact CG-CD1 4.36Å; P102-F422 HydrophobicContact CG-CE1 3.56Å; P102-F422 HydrophobicContact CG-CZ 3.93Å; P102-Y443 VanDerWaalsContact O-CB 3.25Å; P102-Y443 WeakPolarHBondContact O-CB 3.45Å; P102-C444 WeakPolarHBondContact CG-SG 3.47Å
103E93.2Very high93.1Very high132 Ų13241.5 Ų41.562%0.61720%0.202SC*.Hα-helixtrans-65.5-45.9-179.8-63.268.4-151.100110.8C101 T105 K106 E107C101-E103 PolarHBondContact O-N 3.26Å; C101-E103 PolarHBondContact SG-OE2 3.43Å; E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 2.98Å; E103-K106 WeakPolarHBondContact O-CB 3.33Å; E103-K106 PolarHBondContact O-N 2.71Å; E103-E107 PolarHBondContact O-N 2.97Å
104A93.5Very high93.3Very high4 Ų440.5 Ų40.53%0.03320%0.196CC..Hα-helixtrans-64-38.3172.800000111.8V99 C101 K106 E107 I108 I398V99-A104 HydrophobicContact CG1-CB 3.69Å; C101-A104 HydrophobicContact CB-CB 4.01Å; C101-A104 PolarHBondContact O-N 2.85Å; C101-A104 PolarHBondContact SG-N 2.88Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.88Å; A104-E107 PolarHBondContact O-N 3.17Å; A104-I108 HydrophobicContact CB-CD1 4.39Å; A104-I108 VanDerWaalsContact O-CB 3.25Å; A104-I108 WeakPolarHBondContact O-CB 3.2Å; A104-I108 VanDerWaalsContact O-CG1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.39Å; A104-I398 HydrophobicContact CB-CD1 3.96Å; A104-I398 HydrophobicContact CB-CG1 4.22Å; A104-I398 HydrophobicContact CB-CG2 3.73Å
105T94.9Very high93.4Very high0 Ų037.3 Ų37.30%019%0.187CC..Hα-helixtrans-60.2-42.9174.9-57.50000111.1C101 P102 E103 L109 L411 Y443 F446 L450C101-T105 WeakPolarHBondContact O-CB 3.48Å; C101-T105 PolarHBondContact O-N 2.61Å; C101-T105 PolarHBondContact O-OG1 3.49Å; P102-T105 WeakPolarHBondContact O-CB 3.18Å; P102-T105 PolarHBondContact O-N 3.18Å; E103-T105 VanDerWaalsContact C-N 3.32Å; E103-T105 PolarHBondContact O-N 2.98Å; T105-L109 HydrophobicContact CG2-CD1 3.66Å; T105-L109 HydrophobicContact CG2-CG 4.26Å; T105-L109 VanDerWaalsContact O-CB 3.26Å; T105-L109 WeakPolarHBondContact O-CB 3.47Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 2.99Å; T105-L411 HydrophobicContact CG2-CD2 4.45Å; T105-Y443 WeakPolarHBondContact CG2-O 3.26Å; T105-F446 HydrophobicContact CG2-CD1 4Å; T105-F446 HydrophobicContact CG2-CE1 3.77Å; T105-F446 HydrophobicContact CG2-CZ 4.21Å; T105-L450 HydrophobicContact CG2-CD1 4.46Å
106K94.9Very high93.3Very high106 Ų10637.8 Ų37.846%0.46119%0.189SC..Hα-helixtrans-59.9-55.5173.2178.6-176.9-175.3-179.10111.2P102 E103 A104 I108 M110 Y443P102-K106 PolarHBondContact O-N 3.33Å; E103-K106 WeakPolarHBondContact O-CB 3.33Å; E103-K106 PolarHBondContact O-N 2.71Å; A104-K106 VanDerWaalsContact C-N 3.31Å; A104-K106 PolarHBondContact O-N 2.88Å; K106-I108 PolarHBondContact O-N 3.01Å; K106-M110 HydrophobicContact CG-CG 4.27Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CG 3.37Å; K106-M110 PolarHBondContact O-N 3.42Å; K106-Y443 HydrophobicContact CB-CD1 3.56Å; K106-Y443 HydrophobicContact CB-CD2 3.91Å; K106-Y443 HydrophobicContact CB-CE1 3.6Å; K106-Y443 HydrophobicContact CB-CE2 3.94Å; K106-Y443 HydrophobicContact CB-CG 3.73Å; K106-Y443 HydrophobicContact CD-CD2 4.31Å; K106-Y443 HydrophobicContact CD-CE1 4.15Å; K106-Y443 HydrophobicContact CD-CE2 3.6Å; K106-Y443 WeakPolarHBondContact CD-OH 3.24Å; K106-Y443 WeakPolarHBondContact CE-OH 3.4Å; K106-Y443 HydrophobicContact CG-CD1 4.06Å; K106-Y443 HydrophobicContact CG-CD2 4.39Å; K106-Y443 HydrophobicContact CG-CE1 3.53Å; K106-Y443 HydrophobicContact CG-CE2 3.9Å; K106-Y443 HydrophobicContact CG-CG 4.47Å; K106-Y443 VanDerWaalsContact CG-CZ 3.43Å
107E94.6Very high93Very high96 Ų9637.3 Ų37.345%0.44919%0.186SC..Hα-helixtrans-58.7-47-175.9-175.4179.9163.400111.9E103 A104 S111 M396E103-E107 PolarHBondContact O-N 2.97Å; A104-E107 PolarHBondContact O-N 3.17Å; E107-S111 WeakPolarHBondContact O-CB 3.48Å; E107-M396 VanDerWaalsContact OE1-CE 3.23Å; E107-M396 WeakPolarHBondContact OE1-CE 3.45Å
108I94.8Very high92.7Very high0 Ų043.5 Ų43.50%021%0.21CC..Hα-helixtrans-77.6-41.7-172.5-64.8170.7000111.8A104 K106 Y114 R390 I392 M396 I398 C409 L411A104-I108 HydrophobicContact CB-CD1 4.39Å; A104-I108 VanDerWaalsContact O-CB 3.25Å; A104-I108 WeakPolarHBondContact O-CB 3.2Å; A104-I108 VanDerWaalsContact O-CG1 3.25Å; A104-I108 WeakPolarHBondContact O-CG1 3.33Å; A104-I108 PolarHBondContact O-N 3.39Å; K106-I108 PolarHBondContact O-N 3.01Å; I108-Y114 HydrophobicContact CB-CD2 4.43Å; I108-Y114 HydrophobicContact CG2-CD2 4.33Å; I108-Y114 HydrophobicContact CG2-CG 4.46Å; I108-R390 HydrophobicContact CG2-CB 3.79Å; I108-R390 HydrophobicContact CG2-CG 3.63Å; I108-I392 HydrophobicContact CD1-CD1 4.29Å; I108-I392 HydrophobicContact CG1-CD1 4.31Å; I108-I392 HydrophobicContact CG2-CD1 4.21Å; I108-M396 HydrophobicContact CD1-SD 4.17Å; I108-M396 HydrophobicContact CG1-CE 4.34Å; I108-M396 HydrophobicContact CG1-SD 4.35Å; I108-I398 HydrophobicContact CD1-CD1 4.25Å; I108-C409 HydrophobicContact CD1-CB 4.29Å; I108-C409 VanDerWaalsContact CD1-SG 3.53Å; I108-L411 HydrophobicContact CB-CD1 4.38Å; I108-L411 HydrophobicContact CG2-CD1 3.98Å
109L94.6Very high92.3Very high2 Ų244 Ų441%0.0121%0.212CC..Hα-helixtrans-83.7-33.3-176.5-63.6-175.4000113.5T105 S111 T388 R390 L411 F446 L450 G451T105-L109 HydrophobicContact CG2-CD1 3.66Å; T105-L109 HydrophobicContact CG2-CG 4.26Å; T105-L109 VanDerWaalsContact O-CB 3.26Å; T105-L109 WeakPolarHBondContact O-CB 3.47Å; T105-L109 WeakPolarHBondContact O-CG 3.49Å; T105-L109 PolarHBondContact O-N 2.99Å; L109-S111 VanDerWaalsContact C-N 3.29Å; L109-T388 HydrophobicContact CD1-CG2 4.45Å; L109-T388 HydrophobicContact CD2-CG2 3.72Å; L109-R390 HydrophobicContact CD2-CG 4.42Å; L109-L411 HydrophobicContact CD1-CD1 4.03Å; L109-L411 HydrophobicContact CD2-CD1 3.41Å; L109-L411 VanDerWaalsContact CD2-CD1 3.41Å; L109-L411 HydrophobicContact CG-CD1 3.55Å; L109-F446 HydrophobicContact CD1-CD2 4.25Å; L109-L450 HydrophobicContact CB-CB 3.93Å; L109-L450 HydrophobicContact CD1-CB 4.1Å; L109-L450 HydrophobicContact CD1-CD1 4.41Å; L109-L450 HydrophobicContact CD1-CG 4.4Å; L109-G451 WeakPolarHBondContact O-CA 3.5Å
110M93.7Very high91.9Very high93 Ų9346 Ų4646%0.45822%0.222SC..Hα-helixtrans-78.1-17.4-178.8-60.3-65-65.400112.6K106 Y443 L450 G451 P452K106-M110 HydrophobicContact CG-CG 4.27Å; K106-M110 WeakPolarHBondContact O-CB 3.4Å; K106-M110 WeakPolarHBondContact O-CG 3.37Å; K106-M110 PolarHBondContact O-N 3.42Å; M110-Y443 HydrophobicContact CG-CE1 4.18Å; M110-Y443 HydrophobicContact SD-CE1 4.5Å; M110-L450 HydrophobicContact SD-CB 4.02Å; M110-G451 PolarHBondContact SD-N 2.66Å; M110-P452 WeakPolarHBondContact O-CD 3.33Å
111S90.6Very high91.7Very high37 Ų3746.7 Ų46.726%0.25923%0.225SC..  trans-90.6134.3179.9-176.80000112.3E107 L109 K113E107-S111 WeakPolarHBondContact O-CB 3.48Å; L109-S111 VanDerWaalsContact C-N 3.29Å; S111-K113 PolarHBondContact O-N 2.71Å; S111-K113 VanDerWaalsContact OG-CB 3.23Å; S111-K113 WeakPolarHBondContact OG-CB 3.44Å; S111-K113 PolarHBondContact OG-N 2.94Å
112P87.2Confident91.5Very high70 Ų7051.5 Ų51.546%0.45524%0.244SC..THydrogen-bonded Turntrans-73.1-11.9171.531-34.5000113Y114 P452P112-Y114 PolarHBondContact O-N 2.83Å; P112-P452 HydrophobicContact CB-CG 4.2Å
113K89.8Confident91.2Very high155 Ų15552.9 Ų52.967%0.67425%0.248SC*.THydrogen-bonded Turntrans-59.8-32.8-176.4-178.3-178.7175.3-175.60113.3S111 P115S111-K113 PolarHBondContact O-N 2.71Å; S111-K113 VanDerWaalsContact OG-CB 3.23Å; S111-K113 WeakPolarHBondContact OG-CB 3.44Å; S111-K113 PolarHBondContact OG-N 2.94Å; K113-P115 WeakPolarHBondContact O-CD 3.48Å
114Y92.4Very high90.9Very high18 Ų1848.1 Ų48.17%0.07123%0.226CC..SBendtrans-96.3111.5-173-54-72.3000110I108 P112 R390 I392 M396I108-Y114 HydrophobicContact CB-CD2 4.43Å; I108-Y114 HydrophobicContact CG2-CD2 4.33Å; I108-Y114 HydrophobicContact CG2-CG 4.46Å; P112-Y114 PolarHBondContact O-N 2.83Å; Y114-R390 WeakPolarHBondContact O-CD 3.3Å; Y114-I392 HydrophobicContact CD1-CD1 3.33Å; Y114-I392 HydrophobicContact CE1-CD1 3.73Å; Y114-I392 HydrophobicContact CE1-CG2 4.36Å; Y114-I392 HydrophobicContact CG-CD1 3.89Å; Y114-M396 HydrophobicContact CE1-CE 4.12Å; Y114-M396 WeakPolarHBondContact OH-CE 3.35Å
115P92.8Very high90.8Very high24 Ų2450.2 Ų50.216%0.15623%0.234CC..PPolyproline II helixtrans-74168.9178.232-35000111.1K113 I141 R390 E391K113-P115 WeakPolarHBondContact O-CD 3.48Å; P115-I141 HydrophobicContact CB-CG2 4.05Å; P115-I141 WeakPolarHBondContact CB-O 3.36Å; P115-R390 CarbonylContact O-C 3.49Å; P115-R390 VanDerWaalsContact O-CA 3.27Å; P115-R390 WeakPolarHBondContact O-CA 3.48Å; P115-R390 VanDerWaalsContact O-CD 3.25Å; P115-R390 WeakPolarHBondContact O-CD 3.21Å; P115-E391 HydrophobicContact CG-CB 4.19Å; P115-E391 PolarHBondContact O-N 3.44Å
116K91.4Very high90.5Very high15 Ų1553.1 Ų53.17%0.06525%0.25CC..PPolyproline II helixtrans-62.7146.2169.6-69.1-59.3-159.4164.40110.2R118 Y121 I141 T388 R390K116-R118 PolarHBondContact O-N 2.82Å; K116-Y121 HydrophobicContact CB-CD1 4.45Å; K116-Y121 HydrophobicContact CB-CD2 3.64Å; K116-Y121 HydrophobicContact CB-CE2 3.86Å; K116-Y121 HydrophobicContact CB-CG 3.94Å; K116-Y121 HydrophobicContact CD-CD2 4.33Å; K116-Y121 HydrophobicContact CD-CE1 4.14Å; K116-Y121 HydrophobicContact CD-CE2 3.69Å; K116-Y121 HydrophobicContact CG-CD2 4.34Å; K116-Y121 HydrophobicContact CG-CE1 4.42Å; K116-Y121 HydrophobicContact CG-CE2 4.18Å; K116-Y121 PolarHBondContact NZ-OH 2.9Å; K116-I141 HydrophobicContact CB-CG1 4.22Å; K116-T388 PolarHBondContact NZ-OG1 3.39Å; K116-R390 VanDerWaalsContact NZ-NH1 3.1Å
117D89.6Confident90.3Very high3 Ų348.1 Ų48.12%0.01623%0.228CC..PPolyproline II helixtrans-68132.1-177.278.798.2000112.2F119 L120 Y121 S389 T408D117-F119 PolarHBondContact O-N 3.39Å; D117-F119 PolarHBondContact OD1-N 3.22Å; D117-L120 WeakPolarHBondContact OD1-CB 3.49Å; D117-L120 PolarHBondContact OD1-N 3.31Å; D117-L120 WeakPolarHBondContact OD2-CB 3.34Å; D117-Y121 WeakPolarHBondContact O-CB 3.49Å; D117-Y121 VanDerWaalsContact O-CD2 3.29Å; D117-Y121 WeakPolarHBondContact O-CD2 3.36Å; D117-Y121 PolarHBondContact O-N 3.12Å; D117-Y121 WeakPolarHBondContact OD2-CD2 3.24Å; D117-Y121 WeakPolarHBondContact OD2-CE2 3.33Å; D117-S389 WeakPolarHBondContact OD2-CB 3.38Å; D117-S389 PolarHBondContact OD2-OG 3.39Å; D117-T408 HydrophobicContact CB-CG2 3.5Å
118R89.4Confident90.2Very high130 Ų13043.6 Ų43.649%0.49121%0.207SC..Hα-helixtrans-66.3-26.9-176.7-70.7168.586.3-166.35.5113.1K116 K122 I141 E391K116-R118 PolarHBondContact O-N 2.82Å; R118-K122 WeakPolarHBondContact O-CB 3.13Å; R118-K122 WeakPolarHBondContact O-CG 3.36Å; R118-K122 PolarHBondContact O-N 3.48Å; R118-I141 HydrophobicContact CG-CD1 4.07Å; R118-I141 HydrophobicContact CG-CG2 4.25Å; R118-E391 WeakPolarHBondContact CB-OE2 3.34Å; R118-E391 VanDerWaalsContact CD-OE2 3.23Å; R118-E391 WeakPolarHBondContact CD-OE2 3.5Å; R118-E391 WeakPolarHBondContact CG-OE2 3.25Å; R118-E391 PolarHBondContact N-OE2 3.26Å; R118-E391 VanDerWaalsContact N-OE2 3.15Å
119F86.1Confident89.9Confident10 Ų1046.4 Ų46.44%0.04424%0.235CC..Hα-helixtrans-69.4-51.6-174.5177.8-92.6000112.6I91 Y94 D117 R123I91-F119 HydrophobicContact CB-CE1 4.4Å; I91-F119 HydrophobicContact CB-CZ 4.04Å; I91-F119 HydrophobicContact CD1-CE1 4.33Å; I91-F119 HydrophobicContact CG2-CE1 3.99Å; I91-F119 HydrophobicContact CG2-CE2 4.18Å; I91-F119 HydrophobicContact CG2-CZ 3.36Å; Y94-F119 HydrophobicContact CD1-CB 4.19Å; Y94-F119 AromaticContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CD2 3.82Å; Y94-F119 HydrophobicContact CD1-CG 4.37Å; Y94-F119 AromaticContact CD2-CD2 3.18Å; Y94-F119 HydrophobicContact CD2-CD2 3.18Å; Y94-F119 AromaticContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CE2 3.28Å; Y94-F119 HydrophobicContact CD2-CG 4.32Å; Y94-F119 HydrophobicContact CE1-CB 4.39Å; Y94-F119 AromaticContact CE1-CD2 3.99Å; Y94-F119 HydrophobicContact CE1-CD2 3.99Å; Y94-F119 AromaticContact CE2-CD2 3.36Å; Y94-F119 HydrophobicContact CE2-CD2 3.36Å; Y94-F119 AromaticContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CE2-CE2 3.59Å; Y94-F119 HydrophobicContact CG-CB 4.47Å; Y94-F119 AromaticContact CG-CD2 3.41Å; Y94-F119 HydrophobicContact CG-CD2 3.41Å; Y94-F119 VanDerWaalsContact CG-CD2 3.41Å; Y94-F119 AromaticContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CE2 3.88Å; Y94-F119 HydrophobicContact CG-CG 4.17Å; Y94-F119 AromaticContact CZ-CD2 3.77Å; D117-F119 PolarHBondContact O-N 3.39Å; D117-F119 PolarHBondContact OD1-N 3.22Å; F119-R123 VanDerWaalsContact CE2-CZ 3.4Å; F119-R123 VanDerWaalsContact CG-NH1 3.26Å; F119-R123 VanDerWaalsContact CZ-NH2 3.26Å; F119-R123 PolarHBondContact O-NH1 2.89Å
120L86.7Confident89.8Confident43 Ų4349 Ų4923%0.22525%0.248CC..Hα-helixtrans-74.5-52.7-179.4179.663.5000110.3D117 K122 R123 M124 V237D117-L120 WeakPolarHBondContact OD1-CB 3.49Å; D117-L120 PolarHBondContact OD1-N 3.31Å; D117-L120 WeakPolarHBondContact OD2-CB 3.34Å; L120-K122 PolarHBondContact O-N 3.43Å; L120-R123 WeakPolarHBondContact O-CB 3.49Å; L120-R123 PolarHBondContact O-N 3.29Å; L120-M124 HydrophobicContact CG-SD 4.3Å; L120-M124 PolarHBondContact O-N 3.48Å; L120-V237 HydrophobicContact CD1-CB 4.21Å; L120-V237 HydrophobicContact CD1-CG1 3.46Å; L120-V237 VanDerWaalsContact CD1-CG1 3.46Å; L120-V237 HydrophobicContact CD1-CG2 3.63Å
121Y89.1Confident89.7Confident16 Ų1648.1 Ų48.16%0.06324%0.239CC..Hα-helixtrans-73.1-27.3-168.8-70.3-86.1000113.1K116 D117 R123 M124 F125 V138 T139 T388K116-Y121 HydrophobicContact CB-CD1 4.45Å; K116-Y121 HydrophobicContact CB-CD2 3.64Å; K116-Y121 HydrophobicContact CB-CE2 3.86Å; K116-Y121 HydrophobicContact CB-CG 3.94Å; K116-Y121 HydrophobicContact CD-CD2 4.33Å; K116-Y121 HydrophobicContact CD-CE1 4.14Å; K116-Y121 HydrophobicContact CD-CE2 3.69Å; K116-Y121 HydrophobicContact CG-CD2 4.34Å; K116-Y121 HydrophobicContact CG-CE1 4.42Å; K116-Y121 HydrophobicContact CG-CE2 4.18Å; K116-Y121 PolarHBondContact NZ-OH 2.9Å; D117-Y121 WeakPolarHBondContact O-CB 3.49Å; D117-Y121 VanDerWaalsContact O-CD2 3.29Å; D117-Y121 WeakPolarHBondContact O-CD2 3.36Å; D117-Y121 PolarHBondContact O-N 3.12Å; D117-Y121 WeakPolarHBondContact OD2-CD2 3.24Å; D117-Y121 WeakPolarHBondContact OD2-CE2 3.33Å; Y121-R123 VanDerWaalsContact C-N 3.31Å; Y121-R123 PolarHBondContact O-N 3.36Å; Y121-M124 HydrophobicContact CD1-SD 4.18Å; Y121-M124 HydrophobicContact CE1-SD 4.36Å; Y121-M124 PolarHBondContact O-N 3.47Å; Y121-F125 WeakPolarHBondContact O-CB 3.24Å; Y121-F125 PolarHBondContact O-N 3.4Å; Y121-V138 HydrophobicContact CD1-CG1 4.43Å; Y121-V138 WeakPolarHBondContact CD1-O 3.48Å; Y121-V138 HydrophobicContact CE1-CG1 4.03Å; Y121-V138 WeakPolarHBondContact CE1-O 3.34Å; Y121-T139 HydrophobicContact CD1-CG2 4.09Å; Y121-T139 WeakPolarHBondContact O-CG2 3.43Å; Y121-T388 PolarHBondContact OH-OG1 3.35Å
122K88.4Confident89.7Confident111 Ų11146.4 Ų46.448%0.48323%0.227SC..Hα-helixtrans-68.1-28.9169.7-74.8-173.1168.2-167.90113.4R118 L120 M124 F125 N126 I141R118-K122 WeakPolarHBondContact O-CB 3.13Å; R118-K122 WeakPolarHBondContact O-CG 3.36Å; R118-K122 PolarHBondContact O-N 3.48Å; L120-K122 PolarHBondContact O-N 3.43Å; K122-M124 VanDerWaalsContact C-N 3.34Å; K122-F125 WeakPolarHBondContact O-CB 3.49Å; K122-N126 PolarHBondContact O-N 3.2Å; K122-I141 HydrophobicContact CG-CD1 4.12Å
123R88.3Confident89.8Confident46 Ų4643.1 Ų43.117%0.17421%0.206CC..Hα-helixtrans-75.6-26.8174.3-72.2-178.3170.785.2-5.2112.3F119 L120 Y121 N126 Q236 V237F119-R123 VanDerWaalsContact CE2-CZ 3.4Å; F119-R123 VanDerWaalsContact CG-NH1 3.26Å; F119-R123 VanDerWaalsContact CZ-NH2 3.26Å; F119-R123 PolarHBondContact O-NH1 2.89Å; L120-R123 WeakPolarHBondContact O-CB 3.49Å; L120-R123 PolarHBondContact O-N 3.29Å; Y121-R123 VanDerWaalsContact C-N 3.31Å; Y121-R123 PolarHBondContact O-N 3.36Å; R123-N126 CarbonylContact O-C 3.59Å; R123-Q236 HydrophobicContact CB-CG 4.23Å; R123-Q236 VanDerWaalsContact CD-O 3.3Å; R123-Q236 WeakPolarHBondContact CD-O 3.3Å; R123-Q236 HydrophobicContact CG-CG 4.21Å; R123-Q236 PolarHBondContact NE-O 3.15Å; R123-Q236 PolarHBondContact O-NE2 2.87Å; R123-V237 HydrophobicContact CB-CG2 4.11Å
124M86.6Confident89.8Confident31 Ų3135.8 Ų35.815%0.15317%0.174CC..Hα-helixtrans-77.8-34.8171-60.617767.200111.4L120 Y121 K122 I133 V138 T139 I233L120-M124 HydrophobicContact CG-SD 4.3Å; L120-M124 PolarHBondContact O-N 3.48Å; Y121-M124 HydrophobicContact CD1-SD 4.18Å; Y121-M124 HydrophobicContact CE1-SD 4.36Å; Y121-M124 PolarHBondContact O-N 3.47Å; K122-M124 VanDerWaalsContact C-N 3.34Å; M124-I133 HydrophobicContact CB-CD1 3.99Å; M124-I133 HydrophobicContact CB-CG1 4.41Å; M124-I133 HydrophobicContact CE-CD1 4.06Å; M124-I133 WeakPolarHBondContact O-CG1 3.39Å; M124-V138 HydrophobicContact CE-CG1 4.06Å; M124-T139 HydrophobicContact CB-CG2 3.68Å; M124-I233 HydrophobicContact CG-CG2 4.07Å
125F89.9Confident89.6Confident48 Ų4836.5 Ų36.521%0.21118%0.18CC..Hα-helixtrans-54.6-52.3173.4174.3-76.3000111.7Y121 K122 F132 G134 T135Y121-F125 WeakPolarHBondContact O-CB 3.24Å; Y121-F125 PolarHBondContact O-N 3.4Å; K122-F125 WeakPolarHBondContact O-CB 3.49Å; F125-F132 PolarHBondContact O-N 3.4Å; F125-G134 WeakPolarHBondContact CD2-O 3.39Å; F125-G134 PolarHBondContact O-N 2.95Å; F125-T135 WeakPolarHBondContact CE2-OG1 3.42Å
126N90.4Very high89.3Confident62 Ų6235.3 Ų35.333%0.33217%0.173SC..EExtended strand (participates in β ladder)trans-118.5115.2178.3-80.1-28.3000110.9K122 R123 Q130 R131 Q236K122-N126 PolarHBondContact O-N 3.2Å; R123-N126 CarbonylContact O-C 3.59Å; N126-Q130 CarbonylContact C-O 3.44Å; N126-Q130 VanDerWaalsContact CA-O 3.26Å; N126-Q130 WeakPolarHBondContact CA-O 3.1Å; N126-R131 VanDerWaalsContact OD1-CA 3.3Å; N126-R131 WeakPolarHBondContact OD1-CA 3.42Å; N126-Q236 PolarHBondContact O-NE2 3.39Å
127L90.9Very high89.2Confident0 Ų035.4 Ų35.40%017%0.173CC..EExtended strand (participates in β ladder)trans-94.3110.9176.8-161.659000110G129 Q130 F132 C229 I233 Q236 V255L127-G129 PolarHBondContact O-N 3.32Å; L127-G129 VanDerWaalsContact O-N 3.13Å; L127-Q130 PolarHBondContact N-O 3.2Å; L127-Q130 PolarHBondContact O-N 2.99Å; L127-F132 HydrophobicContact CB-CB 3.78Å; L127-F132 HydrophobicContact CB-CD1 4.25Å; L127-F132 HydrophobicContact CB-CG 4.1Å; L127-F132 HydrophobicContact CD2-CD1 4.13Å; L127-F132 HydrophobicContact CD2-CE1 4.3Å; L127-F132 HydrophobicContact CD2-CG 4.28Å; L127-C229 HydrophobicContact CD2-CB 4.01Å; L127-C229 WeakPolarHBondContact CD2-O 3.3Å; L127-I233 HydrophobicContact CD1-CB 4.49Å; L127-I233 HydrophobicContact CD1-CG1 3.89Å; L127-I233 HydrophobicContact CD2-CG1 4.41Å; L127-Q236 VanDerWaalsContact CA-OE1 3.31Å; L127-Q236 HydrophobicContact CD1-CB 4.45Å; L127-V255 HydrophobicContact CD2-CG1 3.29Å; L127-V255 HydrophobicContact CG-CG1 3.59Å
128F91.8Very high89.1Confident2 Ų237.3 Ų37.31%0.00919%0.185CC..THydrogen-bonded Turntrans46.140.5-175-58-62.2000115.1Q236 F242 Q243 I252 V255 R256F128-Q236 HydrophobicContact CE1-CB 3.9Å; F128-Q236 HydrophobicContact CE1-CG 4.26Å; F128-Q236 HydrophobicContact CZ-CB 4.02Å; F128-F242 AromaticContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CE1 4.32Å; F128-F242 AromaticContact CZ-CD1 3.71Å; F128-F242 HydrophobicContact CZ-CD1 3.71Å; F128-F242 AromaticContact CZ-CE1 3.87Å; F128-F242 HydrophobicContact CZ-CE1 3.87Å; F128-Q243 HydrophobicContact CD1-CB 4.16Å; F128-Q243 HydrophobicContact CE1-CB 4.37Å; F128-I252 HydrophobicContact CB-CG2 3.61Å; F128-I252 HydrophobicContact CD1-CD1 4.34Å; F128-I252 HydrophobicContact CD1-CG1 4.08Å; F128-I252 HydrophobicContact CD1-CG2 4.36Å; F128-I252 HydrophobicContact CD2-CB 4.47Å; F128-I252 HydrophobicContact CD2-CG1 4.17Å; F128-I252 HydrophobicContact CD2-CG2 4.16Å; F128-I252 HydrophobicContact CE1-CD1 4.44Å; F128-I252 HydrophobicContact CE1-CG1 4.15Å; F128-I252 HydrophobicContact CE2-CG1 4.23Å; F128-I252 HydrophobicContact CG-CB 4.44Å; F128-I252 HydrophobicContact CG-CG1 4.1Å; F128-I252 HydrophobicContact CG-CG2 3.8Å; F128-I252 HydrophobicContact CZ-CG1 4.22Å; F128-V255 HydrophobicContact CD2-CB 4.03Å; F128-V255 HydrophobicContact CD2-CG1 3.74Å; F128-V255 HydrophobicContact CD2-CG2 4.46Å; F128-V255 HydrophobicContact CE2-CB 4.27Å; F128-V255 HydrophobicContact CE2-CG1 4.06Å; F128-V255 HydrophobicContact CE2-CG2 4.19Å; F128-R256 VanDerWaalsContact O-CZ 3.29Å; F128-R256 PolarHBondContact O-NE 3.37Å; F128-R256 PolarHBondContact O-NH2 3.36Å
129G89.2Confident89.2Confident58 Ų5831.4 Ų31.460%0.59816%0.163SC*.THydrogen-bonded Turntrans81.58.8179.300000114.8L127L127-G129 PolarHBondContact O-N 3.32Å; L127-G129 VanDerWaalsContact O-N 3.13Å
130Q90.8Very high89.4Confident57 Ų5730.9 Ų30.927%0.26616%0.161SC..EExtended strand (participates in β ladder)trans-104.1138.2165.3-61.7-68.1-84.900109.2N126 L127 F132 R256 C259N126-Q130 CarbonylContact C-O 3.44Å; N126-Q130 VanDerWaalsContact CA-O 3.26Å; N126-Q130 WeakPolarHBondContact CA-O 3.1Å; L127-Q130 PolarHBondContact N-O 3.2Å; L127-Q130 PolarHBondContact O-N 2.99Å; Q130-F132 PolarHBondContact O-N 3.25Å; Q130-R256 HydrophobicContact CG-CB 3.72Å; Q130-R256 HydrophobicContact CG-CG 3.47Å; Q130-R256 VanDerWaalsContact CG-CG 3.47Å; Q130-C259 HydrophobicContact CB-CB 4.36Å
131R92Very high89.5Confident75 Ų7530.8 Ų30.828%0.28316%0.161SC..EExtended strand (participates in β ladder)trans-62.2126.7169.7-168.4-178.4-175.4113.7-8.1108.4N126 R263 E307 D311N126-R131 VanDerWaalsContact OD1-CA 3.3Å; N126-R131 WeakPolarHBondContact OD1-CA 3.42Å; R131-R263 WeakPolarHBondContact O-CD 3.39Å; R131-E307 WeakPolarHBondContact CD-OE1 3.31Å; R131-E307 IonicContact CZ-OE1 3.47Å; R131-E307 IonicContact NE-OE1 2.72Å; R131-E307 PolarHBondContact NE-OE1 2.81Å; R131-E307 IonicContact NH2-OE1 3.95Å; R131-D311 IonicContact CZ-OD1 3.58Å; R131-D311 IonicContact CZ-OD2 3.14Å; R131-D311 IonicContact NE-OD1 2.67Å; R131-D311 PolarHBondContact NE-OD1 3.25Å; R131-D311 IonicContact NE-OD2 2.75Å; R131-D311 PolarHBondContact NE-OD2 3.29Å; R131-D311 IonicContact NH2-OD1 3.63Å; R131-D311 IonicContact NH2-OD2 2.78Å; R131-D311 PolarHBondContact NH2-OD2 2.99Å
132F90.5Very high89.5Confident0 Ų034.1 Ų34.10%018%0.179CC..SBendtrans-113.2-92.5-175.5178-131.9000110.6F125 L127 Q130 G134 C229 I233 C259 L262 R263 V314 I318F125-F132 PolarHBondContact O-N 3.4Å; L127-F132 HydrophobicContact CB-CB 3.78Å; L127-F132 HydrophobicContact CB-CD1 4.25Å; L127-F132 HydrophobicContact CB-CG 4.1Å; L127-F132 HydrophobicContact CD2-CD1 4.13Å; L127-F132 HydrophobicContact CD2-CE1 4.3Å; L127-F132 HydrophobicContact CD2-CG 4.28Å; Q130-F132 PolarHBondContact O-N 3.25Å; F132-G134 VanDerWaalsContact C-N 3.33Å; F132-C229 HydrophobicContact CE1-CB 4.22Å; F132-C229 HydrophobicContact CE2-CB 3.66Å; F132-C229 VanDerWaalsContact CE2-SG 3.53Å; F132-C229 HydrophobicContact CZ-CB 3.38Å; F132-I233 HydrophobicContact CD1-CD1 4.42Å; F132-I233 HydrophobicContact CE1-CD1 3.69Å; F132-I233 HydrophobicContact CE1-CG1 4.28Å; F132-C259 HydrophobicContact CD2-CB 4.19Å; F132-C259 VanDerWaalsContact CD2-SG 3.54Å; F132-L262 HydrophobicContact CE2-CD1 3.98Å; F132-R263 PolarHBondContact O-NH1 3.33Å; F132-V314 HydrophobicContact CD2-CG1 4.03Å; F132-V314 HydrophobicContact CE2-CG1 3.72Å; F132-V314 HydrophobicContact CZ-CG1 4.33Å; F132-I318 HydrophobicContact CE1-CD1 4.43Å; F132-I318 HydrophobicContact CE1-CG1 4.1Å; F132-I318 HydrophobicContact CE1-CG2 4.27Å; F132-I318 HydrophobicContact CE2-CD1 4.13Å; F132-I318 HydrophobicContact CE2-CG1 4.1Å; F132-I318 HydrophobicContact CZ-CB 4.47Å; F132-I318 HydrophobicContact CZ-CD1 3.47Å; F132-I318 VanDerWaalsContact CZ-CD1 3.47Å; F132-I318 HydrophobicContact CZ-CG1 3.41Å; F132-I318 VanDerWaalsContact CZ-CG1 3.41Å; F132-I318 HydrophobicContact CZ-CG2 4.3Å
133I90Very high89.5Confident2 Ų231.6 Ų31.61%0.0117%0.169CC..SBendtrans-90.21.7172.157.8169000113M124 T135 G136 V138 T139 D311 V314 I318M124-I133 HydrophobicContact CB-CD1 3.99Å; M124-I133 HydrophobicContact CB-CG1 4.41Å; M124-I133 HydrophobicContact CE-CD1 4.06Å; M124-I133 WeakPolarHBondContact O-CG1 3.39Å; I133-T135 PolarHBondContact O-N 3.36Å; I133-G136 PolarHBondContact O-N 3.37Å; I133-V138 HydrophobicContact CD1-CG1 4.44Å; I133-T139 HydrophobicContact CD1-CG2 3.43Å; I133-T139 VanDerWaalsContact CD1-CG2 3.43Å; I133-T139 HydrophobicContact CG1-CG2 3.85Å; I133-D311 WeakPolarHBondContact O-CB 3.17Å; I133-V314 HydrophobicContact CG2-CB 4.11Å; I133-V314 HydrophobicContact CG2-CG1 3.69Å; I133-I318 HydrophobicContact CG2-CB 4.38Å; I133-I318 HydrophobicContact CG2-CG1 4.19Å
134G89.7Confident89.5Confident0 Ų035.5 Ų35.50%019%0.189CC..THydrogen-bonded Turntrans45-13517100000113.7F125 F132 G136 T139 D311F125-G134 WeakPolarHBondContact CD2-O 3.39Å; F125-G134 PolarHBondContact O-N 2.95Å; F132-G134 VanDerWaalsContact C-N 3.33Å; G134-G136 VanDerWaalsContact C-N 3.25Å; G134-G136 PolarHBondContact O-N 2.97Å; G134-T139 VanDerWaalsContact O-CB 3.31Å; G134-T139 WeakPolarHBondContact O-CB 3.4Å; G134-T139 PolarHBondContact O-OG1 2.9Å; G134-D311 WeakPolarHBondContact CA-OD1 3.25Å; G134-D311 WeakPolarHBondContact CA-OD2 3.24Å
135T88.1Confident89.5Confident33 Ų3336 Ų3620%0.20219%0.194CC..THydrogen-bonded Turntrans-90.837.4176.5-41.90000111.4F125 I133 A140 T145 Q149 F308 D311F125-T135 WeakPolarHBondContact CE2-OG1 3.42Å; I133-T135 PolarHBondContact O-N 3.36Å; T135-A140 HydrophobicContact CG2-CB 4.11Å; T135-T145 HydrophobicContact CG2-CG2 3.75Å; T135-Q149 PolarHBondContact O-NE2 3.26Å; T135-Q149 PolarHBondContact O-OE1 2.9Å; T135-Q149 VanDerWaalsContact O-OE1 3.12Å; T135-F308 HydrophobicContact CG2-CE1 3.97Å; T135-D311 PolarHBondContact N-OD2 3.41Å
136G86.6Confident89.6Confident0 Ų034.2 Ų34.20%019%0.186CC..SBendtrans-66.1172.1173.300000112.9I133 G134 V138 T139 A140 N312I133-G136 PolarHBondContact O-N 3.37Å; G134-G136 VanDerWaalsContact C-N 3.25Å; G134-G136 PolarHBondContact O-N 2.97Å; G136-V138 PolarHBondContact O-N 3.25Å; G136-T139 PolarHBondContact N-OG1 3.23Å; G136-T139 PolarHBondContact O-N 2.88Å; G136-T139 PolarHBondContact O-OG1 3.27Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 2.92Å; G136-N312 WeakPolarHBondContact CA-OD1 3.19Å
137L88.2Confident89.6Confident16 Ų1636.7 Ų36.78%0.08419%0.192CC..THydrogen-bonded Turntrans-53.5-33.2-175.7-99.285.6000114.4Q149 M153 N312 L456L137-Q149 HydrophobicContact CD1-CB 3.76Å; L137-Q149 HydrophobicContact CG-CB 4.47Å; L137-M153 HydrophobicContact CD1-CE 3.54Å; L137-M153 HydrophobicContact CD1-CG 4.27Å; L137-M153 HydrophobicContact CD1-SD 3.19Å; L137-M153 WeakPolarHBondContact CD1-SD 3.4Å; L137-M153 HydrophobicContact CG-SD 4.46Å; L137-N312 WeakPolarHBondContact CD1-OD1 3.42Å; L137-N312 PolarHBondContact N-OD1 3.44Å; L137-L456 HydrophobicContact CD2-CB 4.43Å; L137-L456 HydrophobicContact CD2-CD2 3.85Å
138V88.6Confident89.4Confident44 Ų4440.2 Ų40.227%0.26721%0.207SC..THydrogen-bonded Turntrans-72-37.3-178.5170.80000111.3Y121 M124 I133 G136 T315 A319Y121-V138 HydrophobicContact CD1-CG1 4.43Å; Y121-V138 WeakPolarHBondContact CD1-O 3.48Å; Y121-V138 HydrophobicContact CE1-CG1 4.03Å; Y121-V138 WeakPolarHBondContact CE1-O 3.34Å; M124-V138 HydrophobicContact CE-CG1 4.06Å; I133-V138 HydrophobicContact CD1-CG1 4.44Å; G136-V138 PolarHBondContact O-N 3.25Å; V138-T315 HydrophobicContact CB-CG2 4.02Å; V138-T315 HydrophobicContact CG2-CG2 3.47Å; V138-T315 VanDerWaalsContact CG2-CG2 3.47Å; V138-A319 HydrophobicContact CG2-CB 3.98Å
139T90.6Very high89.3Confident5 Ų540.3 Ų40.33%0.03121%0.208CC..THydrogen-bonded Turntrans-106.9-10.2-170.439.50000114.5Y121 M124 I133 G134 G136 I141Y121-T139 HydrophobicContact CD1-CG2 4.09Å; Y121-T139 WeakPolarHBondContact O-CG2 3.43Å; M124-T139 HydrophobicContact CB-CG2 3.68Å; I133-T139 HydrophobicContact CD1-CG2 3.43Å; I133-T139 VanDerWaalsContact CD1-CG2 3.43Å; I133-T139 HydrophobicContact CG1-CG2 3.85Å; G134-T139 VanDerWaalsContact O-CB 3.31Å; G134-T139 WeakPolarHBondContact O-CB 3.4Å; G134-T139 PolarHBondContact O-OG1 2.9Å; G136-T139 PolarHBondContact N-OG1 3.23Å; G136-T139 PolarHBondContact O-N 2.88Å; G136-T139 PolarHBondContact O-OG1 3.27Å; T139-I141 PolarHBondContact O-N 3.12Å
140A90.7Very high89.3Confident0 Ų039 Ų390%019%0.185CC..  trans-60.1105.2174.900000110.5T135 G136 W146 R453T135-A140 HydrophobicContact CG2-CB 4.11Å; G136-A140 WeakPolarHBondContact O-CB 3.41Å; G136-A140 PolarHBondContact O-N 2.92Å; A140-W146 HydrophobicContact CB-CB 3.84Å; A140-R453 PolarHBondContact O-NH1 2.67Å; A140-R453 PolarHBondContact O-NH2 3.33Å
141I89.6Confident89.2Confident41 Ų4141.8 Ų41.821%0.2119%0.193CC..  trans-79.5-43.7-177.8-69.3154.9000110.6P115 K116 R118 K122 T139 R453P115-I141 HydrophobicContact CB-CG2 4.05Å; P115-I141 WeakPolarHBondContact CB-O 3.36Å; K116-I141 HydrophobicContact CB-CG1 4.22Å; R118-I141 HydrophobicContact CG-CD1 4.07Å; R118-I141 HydrophobicContact CG-CG2 4.25Å; K122-I141 HydrophobicContact CG-CD1 4.12Å; T139-I141 PolarHBondContact O-N 3.12Å; I141-R453 PolarHBondContact O-NH2 2.87Å
142D88.3Confident88.9Confident85 Ų8539 Ų3946%0.45518%0.183SC..SBendtrans-65.2140.6177.5177.161.7000111.7E144 T145 W146 R453D142-E144 PolarHBondContact OD2-N 3.32Å; D142-T145 WeakPolarHBondContact OD2-CB 3.45Å; D142-T145 PolarHBondContact OD2-N 3.27Å; D142-T145 PolarHBondContact OD2-OG1 3.23Å; D142-W146 WeakPolarHBondContact O-CB 2.99Å; D142-W146 PolarHBondContact O-N 3.45Å; D142-R453 PolarHBondContact O-NH2 3.44Å
143H88.3Confident88.8Confident59 Ų5939.3 Ų39.327%0.27319%0.185SC..Hα-helixtrans-73.4-45.5-175.8-176.777.6000111.8T145 W146 Y147H143-T145 PolarHBondContact O-N 3.09Å; H143-W146 AromaticContact CE1-CE3 3.88Å; H143-W146 AromaticContact CE1-CZ3 3.66Å; H143-W146 AromaticContact ND1-CE3 3.83Å; H143-W146 PolarHBondContact O-N 2.9Å; H143-Y147 WeakPolarHBondContact O-CB 3.3Å; H143-Y147 PolarHBondContact O-N 3.2Å
144E88.3Confident88.8Confident127 Ų12742.3 Ų42.359%0.59320%0.201SC*.Hα-helixtrans-64-45.2-177.4-64.3-55.3132.300111.1D142 W146 Y147 K148D142-E144 PolarHBondContact OD2-N 3.32Å; E144-W146 PolarHBondContact O-N 2.75Å; E144-Y147 PolarHBondContact O-N 2.97Å; E144-K148 WeakPolarHBondContact O-CB 3.37Å; E144-K148 PolarHBondContact O-N 3.27Å
145T87.5Confident88.8Confident42 Ų4244.7 Ų44.726%0.25822%0.216SC..Hα-helixtrans-60.7-45.3176.3-54.80000111.3T135 D142 H143 Q149 F308T135-T145 HydrophobicContact CG2-CG2 3.75Å; D142-T145 WeakPolarHBondContact OD2-CB 3.45Å; D142-T145 PolarHBondContact OD2-N 3.27Å; D142-T145 PolarHBondContact OD2-OG1 3.23Å; H143-T145 PolarHBondContact O-N 3.09Å; T145-Q149 WeakPolarHBondContact O-CG 3.34Å; T145-Q149 PolarHBondContact O-N 2.68Å; T145-Q149 PolarHBondContact O-NE2 2.94Å; T145-F308 HydrophobicContact CG2-CE1 4.3Å; T145-F308 HydrophobicContact CG2-CZ 4.04Å
146W91.5Very high88.8Confident11 Ų1143.1 Ų43.14%0.04221%0.207CC..Hα-helixtrans-64.4-43.6175.9168.879.6000111.8A140 D142 H143 E144 Q149 R150 P452 R453A140-W146 HydrophobicContact CB-CB 3.84Å; D142-W146 WeakPolarHBondContact O-CB 2.99Å; D142-W146 PolarHBondContact O-N 3.45Å; H143-W146 AromaticContact CE1-CE3 3.88Å; H143-W146 AromaticContact CE1-CZ3 3.66Å; H143-W146 AromaticContact ND1-CE3 3.83Å; H143-W146 PolarHBondContact O-N 2.9Å; E144-W146 PolarHBondContact O-N 2.75Å; W146-Q149 PolarHBondContact O-N 2.99Å; W146-R150 HydrophobicContact CH2-CB 4.44Å; W146-R150 HydrophobicContact CH2-CG 4.16Å; W146-R150 HydrophobicContact CZ2-CB 4.11Å; W146-R150 HydrophobicContact CZ2-CG 3.83Å; W146-R150 VanDerWaalsContact O-CB 3.27Å; W146-R150 WeakPolarHBondContact O-CB 2.93Å; W146-R150 PolarHBondContact O-N 3.28Å; W146-P452 HydrophobicContact CH2-CB 3.79Å; W146-P452 WeakPolarHBondContact CH2-O 3.45Å; W146-P452 WeakPolarHBondContact CZ2-O 3.44Å; W146-P452 HydrophobicContact CZ3-CB 4.31Å; W146-R453 HydrophobicContact CD2-CG 4.18Å; W146-R453 HydrophobicContact CH2-CG 4.24Å; W146-R453 HydrophobicContact CZ2-CB 4.43Å; W146-R453 HydrophobicContact CZ2-CG 3.76Å
147Y90.3Very high89Confident114 Ų11443.8 Ų43.845%0.44721%0.21SC..Hα-helixtrans-66.9-41.9-176.3-178-109.2000111.6H143 E144 Q149 R150 R151H143-Y147 WeakPolarHBondContact O-CB 3.3Å; H143-Y147 PolarHBondContact O-N 3.2Å; E144-Y147 PolarHBondContact O-N 2.97Å; Y147-Q149 PolarHBondContact O-N 2.9Å; Y147-R150 PolarHBondContact O-N 2.99Å; Y147-R151 WeakPolarHBondContact O-CB 3.37Å; Y147-R151 PolarHBondContact O-N 3.06Å
148K87.7Confident89.1Confident73 Ų7345.1 Ų45.132%0.31722%0.22SC..Hα-helixtrans-55.3-52.9172.2-175-170.5-177.5-167.30110.9E144 R150 R151 I152 D305E144-K148 WeakPolarHBondContact O-CB 3.37Å; E144-K148 PolarHBondContact O-N 3.27Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-R150 PolarHBondContact O-N 3.49Å; K148-R151 PolarHBondContact O-N 2.86Å; K148-I152 HydrophobicContact CG-CD1 4.32Å; K148-I152 WeakPolarHBondContact O-CG1 3.3Å; K148-I152 PolarHBondContact O-N 3.01Å; K148-D305 IonicContact NZ-OD1 2.64Å; K148-D305 PolarHBondContact NZ-OD1 2.92Å; K148-D305 IonicContact NZ-OD2 3.63Å
149Q88.4Confident89.1Confident5 Ų545.1 Ų45.12%0.02322%0.22CC..Hα-helixtrans-63.5-40.5179.6-67.9179.655.400112T135 L137 T145 W146 Y147 R151 I152 M153 N312T135-Q149 PolarHBondContact O-NE2 3.26Å; T135-Q149 PolarHBondContact O-OE1 2.9Å; T135-Q149 VanDerWaalsContact O-OE1 3.12Å; L137-Q149 HydrophobicContact CD1-CB 3.76Å; L137-Q149 HydrophobicContact CG-CB 4.47Å; T145-Q149 WeakPolarHBondContact O-CG 3.34Å; T145-Q149 PolarHBondContact O-N 2.68Å; T145-Q149 PolarHBondContact O-NE2 2.94Å; W146-Q149 PolarHBondContact O-N 2.99Å; Y147-Q149 PolarHBondContact O-N 2.9Å; Q149-R151 PolarHBondContact O-N 3.34Å; Q149-I152 PolarHBondContact O-N 3.45Å; Q149-M153 HydrophobicContact CB-CE 4.48Å; Q149-M153 WeakPolarHBondContact O-CG 3.09Å; Q149-M153 PolarHBondContact O-N 2.56Å; Q149-M153 VanDerWaalsContact O-N 3.11Å; Q149-N312 PolarHBondContact OE1-ND2 2.84Å
150R90.1Very high89.1Confident30 Ų3051.6 Ų51.611%0.11325%0.254CS..Hα-helixtrans-60.5-44.9178.2-172.168.1-172.4-145.55.4111.5W146 Y147 K148 I152 M153 D154 S454W146-R150 HydrophobicContact CH2-CB 4.44Å; W146-R150 HydrophobicContact CH2-CG 4.16Å; W146-R150 HydrophobicContact CZ2-CB 4.11Å; W146-R150 HydrophobicContact CZ2-CG 3.83Å; W146-R150 VanDerWaalsContact O-CB 3.27Å; W146-R150 WeakPolarHBondContact O-CB 2.93Å; W146-R150 PolarHBondContact O-N 3.28Å; Y147-R150 PolarHBondContact O-N 2.99Å; K148-R150 VanDerWaalsContact C-N 3.33Å; K148-R150 PolarHBondContact O-N 3.49Å; R150-I152 VanDerWaalsContact C-N 3.31Å; R150-I152 PolarHBondContact O-N 3.03Å; R150-M153 PolarHBondContact O-N 3.07Å; R150-D154 IonicContact CZ-OD1 3.57Å; R150-D154 IonicContact NE-OD1 3.75Å; R150-D154 PolarHBondContact NE-OD1 3.2Å; R150-D154 IonicContact NE-OD2 3.81Å; R150-D154 IonicContact NH2-OD1 2.59Å; R150-D154 PolarHBondContact NH2-OD1 3.25Å; R150-D154 WeakPolarHBondContact O-CB 3.4Å; R150-D154 PolarHBondContact O-N 3.35Å; R150-S454 PolarHBondContact NH1-O 3.37Å
151R88.3Confident89Confident116 Ų11653.9 Ų53.944%0.43826%0.263SS..Hα-helixtrans-60.1-39.3176.9-174.5170.376.2-160.82.4112.6Y147 K148 Q149 M153 P155 E298Y147-R151 WeakPolarHBondContact O-CB 3.37Å; Y147-R151 PolarHBondContact O-N 3.06Å; K148-R151 PolarHBondContact O-N 2.86Å; Q149-R151 PolarHBondContact O-N 3.34Å; R151-M153 VanDerWaalsContact C-N 3.33Å; R151-P155 VanDerWaalsContact O-CD 3.3Å; R151-P155 WeakPolarHBondContact O-CD 3.18Å; R151-E298 IonicContact CZ-OE1 3.2Å; R151-E298 IonicContact CZ-OE2 3.61Å; R151-E298 IonicContact NE-OE1 2.73Å; R151-E298 PolarHBondContact NE-OE1 3.45Å; R151-E298 IonicContact NH2-OE1 3.38Å; R151-E298 PolarHBondContact NH2-OE1 2.72Å; R151-E298 IonicContact NH2-OE2 3.19Å; R151-E298 PolarHBondContact NH2-OE2 2.65Å
152I86.1Confident89Confident16 Ų1652 Ų528%0.08225%0.253CS..Hα-helixtrans-67.7-35.3178.2-67.3166.9000111.3K148 Q149 R150 I291 A295 E298K148-I152 HydrophobicContact CG-CD1 4.32Å; K148-I152 WeakPolarHBondContact O-CG1 3.3Å; K148-I152 PolarHBondContact O-N 3.01Å; Q149-I152 PolarHBondContact O-N 3.45Å; R150-I152 VanDerWaalsContact C-N 3.31Å; R150-I152 PolarHBondContact O-N 3.03Å; I152-I291 HydrophobicContact CG2-CG2 4.06Å; I152-A295 HydrophobicContact CG2-CB 4.12Å; I152-E298 HydrophobicContact CG1-CG 4.34Å
153M88.1Confident89.2Confident6 Ų653.3 Ų53.33%0.0325%0.252CS..Hα-helixtrans-94.7-31-172.2-60.8-170.2-16300114.7L137 Q149 R150 R151 P155 A156 F157 I291 N312 F316 L456L137-M153 HydrophobicContact CD1-CE 3.54Å; L137-M153 HydrophobicContact CD1-CG 4.27Å; L137-M153 HydrophobicContact CD1-SD 3.19Å; L137-M153 WeakPolarHBondContact CD1-SD 3.4Å; L137-M153 HydrophobicContact CG-SD 4.46Å; Q149-M153 HydrophobicContact CB-CE 4.48Å; Q149-M153 WeakPolarHBondContact O-CG 3.09Å; Q149-M153 PolarHBondContact O-N 2.56Å; Q149-M153 VanDerWaalsContact O-N 3.11Å; R150-M153 PolarHBondContact O-N 3.07Å; R151-M153 VanDerWaalsContact C-N 3.33Å; M153-P155 VanDerWaalsContact C-N 3.32Å; M153-A156 PolarHBondContact O-N 2.86Å; M153-F157 WeakPolarHBondContact O-CD2 3.42Å; M153-I291 HydrophobicContact CG-CD1 4.06Å; M153-I291 HydrophobicContact CG-CG1 4.23Å; M153-I291 HydrophobicContact SD-CD1 4.38Å; M153-N312 HydrophobicContact CE-CB 3.43Å; M153-N312 VanDerWaalsContact CE-CB 3.43Å; M153-N312 WeakPolarHBondContact CE-ND2 3.48Å; M153-N312 HydrophobicContact SD-CB 4.07Å; M153-F316 HydrophobicContact SD-CE1 4.07Å; M153-F316 HydrophobicContact SD-CZ 3.58Å; M153-F316 VanDerWaalsContact SD-CZ 3.58Å; M153-L456 HydrophobicContact CB-CD2 3.78Å; M153-L456 HydrophobicContact SD-CD2 4.48Å
154D89.5Confident89.3Confident66 Ų6653.8 Ų53.835%0.35327%0.273SS..G310 helixtrans-49.3-42.7-177.9-87.8-18000114R150 A156 F157 S158 L456R150-D154 IonicContact CZ-OD1 3.57Å; R150-D154 IonicContact NE-OD1 3.75Å; R150-D154 PolarHBondContact NE-OD1 3.2Å; R150-D154 IonicContact NE-OD2 3.81Å; R150-D154 IonicContact NH2-OD1 2.59Å; R150-D154 PolarHBondContact NH2-OD1 3.25Å; R150-D154 WeakPolarHBondContact O-CB 3.4Å; R150-D154 PolarHBondContact O-N 3.35Å; D154-A156 VanDerWaalsContact C-N 3.27Å; D154-A156 PolarHBondContact O-N 3.24Å; D154-F157 CarbonylContact O-C 3.59Å; D154-F157 PolarHBondContact O-N 3.13Å; D154-F157 VanDerWaalsContact O-N 3.12Å; D154-S158 PolarHBondContact O-N 3.48Å; D154-L456 WeakPolarHBondContact OD1-CD1 3.48Å
155P90.3Very high89.4Confident50 Ų5048.4 Ų48.433%0.32525%0.248SC..G310 helixtrans-57.5-37.7178.6-26.936.1000113.7R151 M153 F157 S158 T294R151-P155 VanDerWaalsContact O-CD 3.3Å; R151-P155 WeakPolarHBondContact O-CD 3.18Å; M153-P155 VanDerWaalsContact C-N 3.32Å; P155-F157 VanDerWaalsContact C-N 3.28Å; P155-F157 PolarHBondContact O-N 3.48Å; P155-S158 WeakPolarHBondContact O-CB 3.27Å; P155-S158 PolarHBondContact O-N 2.93Å; P155-S158 PolarHBondContact O-OG 3.35Å; P155-T294 HydrophobicContact CG-CG2 4.44Å
156A88.7Confident89.6Confident0 Ų047.1 Ų47.10%024%0.239CC..G310 helixtrans-75.1-16.9-177.900000113.3M153 D154 Y161 I287 Q290 I291M153-A156 PolarHBondContact O-N 2.86Å; D154-A156 VanDerWaalsContact C-N 3.27Å; D154-A156 PolarHBondContact O-N 3.24Å; A156-Y161 VanDerWaalsContact O-CD1 3.24Å; A156-Y161 WeakPolarHBondContact O-CD1 3.49Å; A156-I287 HydrophobicContact CB-CB 4.28Å; A156-I287 HydrophobicContact CB-CG2 3.62Å; A156-Q290 HydrophobicContact CB-CB 3.88Å; A156-Q290 HydrophobicContact CB-CG 3.78Å; A156-I291 HydrophobicContact CB-CG1 4.19Å
157F90.3Very high89.6Confident14 Ų1448.6 Ų48.66%0.06126%0.258CS..G310 helixtrans-109.98.7175-68.5-93.2000112.8M153 D154 P155 L162 I287 F316 L456M153-F157 WeakPolarHBondContact O-CD2 3.42Å; D154-F157 CarbonylContact O-C 3.59Å; D154-F157 PolarHBondContact O-N 3.13Å; D154-F157 VanDerWaalsContact O-N 3.12Å; P155-F157 VanDerWaalsContact C-N 3.28Å; P155-F157 PolarHBondContact O-N 3.48Å; F157-L162 WeakPolarHBondContact O-CD1 3.18Å; F157-I287 HydrophobicContact CD1-CD1 4.46Å; F157-I287 HydrophobicContact CD2-CG2 4.33Å; F157-I287 HydrophobicContact CE1-CD1 3.92Å; F157-I287 HydrophobicContact CE2-CD1 4.46Å; F157-I287 HydrophobicContact CE2-CG2 3.61Å; F157-I287 HydrophobicContact CZ-CD1 3.93Å; F157-I287 HydrophobicContact CZ-CG2 3.89Å; F157-F316 HydrophobicContact CE2-CE1 4.16Å; F157-F316 HydrophobicContact CE2-CE2 4.36Å; F157-F316 AromaticContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CZ-CD1 4.43Å; F157-F316 AromaticContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE2 4.27Å; F157-F316 AromaticContact CZ-CZ 3.89Å; F157-F316 HydrophobicContact CZ-CZ 3.89Å; F157-L456 HydrophobicContact CB-CD1 3.87Å; F157-L456 HydrophobicContact CB-CG 3.97Å; F157-L456 HydrophobicContact CD1-CG 4.2Å; F157-L456 HydrophobicContact CD2-CD1 4.01Å; F157-L456 HydrophobicContact CD2-CD2 3.47Å; F157-L456 VanDerWaalsContact CD2-CD2 3.47Å; F157-L456 HydrophobicContact CD2-CG 3.6Å; F157-L456 HydrophobicContact CE2-CD2 3.54Å; F157-L456 HydrophobicContact CE2-CG 4.08Å; F157-L456 HydrophobicContact CG-CD1 4.06Å; F157-L456 HydrophobicContact CG-CD2 4.06Å; F157-L456 HydrophobicContact CG-CG 3.66Å; F157-L456 HydrophobicContact CZ-CD2 4.18Å
158S90.6Very high89.7Confident43 Ų4344.6 Ų44.630%0.30125%0.245SC..SBendtrans-63.5145.8174.271.40000110.6D154 P155 L160 Y161 L162D154-S158 PolarHBondContact O-N 3.48Å; P155-S158 WeakPolarHBondContact O-CB 3.27Å; P155-S158 PolarHBondContact O-N 2.93Å; P155-S158 PolarHBondContact O-OG 3.35Å; S158-L160 PolarHBondContact O-N 3.24Å; S158-Y161 PolarHBondContact O-N 3.31Å; S158-Y161 VanDerWaalsContact O-N 3.08Å; S158-Y161 WeakPolarHBondContact OG-CB 3.12Å; S158-Y161 PolarHBondContact OG-N 3.49Å; S158-L162 WeakPolarHBondContact O-CG 3.35Å; S158-L162 PolarHBondContact O-N 3.43Å
159T88.5Confident89.9Confident44 Ų4441.2 Ų41.227%0.2723%0.231SC..Hα-helixtrans-55.3-37.1177.9-54.50000111.8R163 Y362 N459 M463T159-R163 WeakPolarHBondContact O-CG 3.41Å; T159-R163 PolarHBondContact O-N 3.06Å; T159-Y362 HydrophobicContact CG2-CE1 4.48Å; T159-Y362 HydrophobicContact CG2-CE2 4.05Å; T159-Y362 VanDerWaalsContact CG2-OH 3.27Å; T159-Y362 WeakPolarHBondContact CG2-OH 3.01Å; T159-N459 PolarHBondContact OG1-ND2 3.35Å; T159-M463 HydrophobicContact CG2-CE 4.06Å
160L89.1Confident90.2Very high142 Ų14241.4 Ų41.474%0.74323%0.232SC*.Hα-helixtrans-63.1-44.7178.3-177.664.9000111.8S158S158-L160 PolarHBondContact O-N 3.24Å
161Y88.7Confident90.4Very high48 Ų4843.9 Ų43.919%0.18825%0.245CC..Hα-helixtrans-68.2-45.5179-166.2-97.4000111.4A156 S158 R163 G164 L165 K285 D286 I287 Q290A156-Y161 VanDerWaalsContact O-CD1 3.24Å; A156-Y161 WeakPolarHBondContact O-CD1 3.49Å; S158-Y161 PolarHBondContact O-N 3.31Å; S158-Y161 VanDerWaalsContact O-N 3.08Å; S158-Y161 WeakPolarHBondContact OG-CB 3.12Å; S158-Y161 PolarHBondContact OG-N 3.49Å; Y161-R163 VanDerWaalsContact C-N 3.27Å; Y161-R163 PolarHBondContact O-N 3.16Å; Y161-G164 WeakPolarHBondContact O-CA 3.28Å; Y161-G164 PolarHBondContact O-N 2.96Å; Y161-L165 HydrophobicContact CD1-CD1 3.85Å; Y161-L165 HydrophobicContact CE1-CD1 3.74Å; Y161-L165 HydrophobicContact CE1-CG 4.42Å; Y161-K285 VanDerWaalsContact OH-C 3.26Å; Y161-K285 PolarHBondContact OH-O 2.87Å; Y161-D286 VanDerWaalsContact OH-C 3.25Å; Y161-D286 PolarHBondContact OH-N 3.22Å; Y161-D286 PolarHBondContact OH-O 2.96Å; Y161-I287 HydrophobicContact CE1-CG1 4.4Å; Y161-Q290 HydrophobicContact CD2-CG 4.43Å; Y161-Q290 HydrophobicContact CE1-CB 4.39Å; Y161-Q290 HydrophobicContact CE2-CB 4.13Å; Y161-Q290 HydrophobicContact CE2-CG 4.05Å
162L90.8Very high90.5Very high0 Ų038.5 Ų38.50%022%0.224CC..Hα-helixtrans-62.9-31.7179.3-65.1177.6000113F157 S158 G164 L165 N459 F460 M463F157-L162 WeakPolarHBondContact O-CD1 3.18Å; S158-L162 WeakPolarHBondContact O-CG 3.35Å; S158-L162 PolarHBondContact O-N 3.43Å; L162-G164 VanDerWaalsContact C-N 3.25Å; L162-G164 PolarHBondContact O-N 2.83Å; L162-L165 HydrophobicContact CD2-CD1 4.16Å; L162-L165 WeakPolarHBondContact O-CB 3.22Å; L162-L165 PolarHBondContact O-N 2.94Å; L162-N459 HydrophobicContact CD1-CB 3.8Å; L162-F460 HydrophobicContact CD1-CB 4.18Å; L162-F460 HydrophobicContact CD2-CB 4.48Å; L162-F460 HydrophobicContact CD2-CD2 3.84Å; L162-M463 HydrophobicContact CB-CE 3.75Å; L162-M463 HydrophobicContact CB-SD 3.66Å; L162-M463 HydrophobicContact CD1-CE 4.09Å; L162-M463 HydrophobicContact CD1-SD 4.24Å
163R91.8Very high90.9Very high114 Ų11437.7 Ų37.743%0.4322%0.22SC..Hα-helixtrans-58.6-37.5171.4-79.4174-173.2-167.75.8112.3T159 Y161 L165 M166 Y362T159-R163 WeakPolarHBondContact O-CG 3.41Å; T159-R163 PolarHBondContact O-N 3.06Å; Y161-R163 VanDerWaalsContact C-N 3.27Å; Y161-R163 PolarHBondContact O-N 3.16Å; R163-L165 PolarHBondContact O-N 3.24Å; R163-M166 WeakPolarHBondContact O-CB 3.45Å; R163-M166 VanDerWaalsContact O-CG 3.28Å; R163-M166 WeakPolarHBondContact O-CG 3.45Å; R163-M166 PolarHBondContact O-N 2.93Å; R163-Y362 HydrophobicContact CG-CD1 3.92Å; R163-Y362 HydrophobicContact CG-CD2 3.7Å; R163-Y362 HydrophobicContact CG-CE1 4.43Å; R163-Y362 HydrophobicContact CG-CE2 4.24Å; R163-Y362 HydrophobicContact CG-CG 3.51Å
164G90.1Very high91.2Very high69 Ų6938.5 Ų38.571%0.71122%0.224SC*.Hα-helixtrans-66.7-16.6175.400000113.8Y161 L162Y161-G164 WeakPolarHBondContact O-CA 3.28Å; Y161-G164 PolarHBondContact O-N 2.96Å; L162-G164 VanDerWaalsContact C-N 3.25Å; L162-G164 PolarHBondContact O-N 2.83Å
165L90.3Very high91.4Very high14 Ų1437.8 Ų37.87%0.07322%0.218CC..THydrogen-bonded Turntrans-99.35.3-179-55.9171.4000112.7Y161 L162 R163 G167 T168 F169 V207 K285 I287Y161-L165 HydrophobicContact CD1-CD1 3.85Å; Y161-L165 HydrophobicContact CE1-CD1 3.74Å; Y161-L165 HydrophobicContact CE1-CG 4.42Å; L162-L165 HydrophobicContact CD2-CD1 4.16Å; L162-L165 WeakPolarHBondContact O-CB 3.22Å; L162-L165 PolarHBondContact O-N 2.94Å; R163-L165 PolarHBondContact O-N 3.24Å; L165-G167 PolarHBondContact O-N 3.47Å; L165-T168 WeakPolarHBondContact O-CB 3.39Å; L165-T168 PolarHBondContact O-N 2.99Å; L165-F169 HydrophobicContact CB-CE2 4.25Å; L165-F169 WeakPolarHBondContact O-CD2 3.46Å; L165-F169 PolarHBondContact O-N 3.35Å; L165-F169 VanDerWaalsContact O-N 3.14Å; L165-V207 HydrophobicContact CB-CG1 4.06Å; L165-V207 HydrophobicContact CD1-CG1 3.35Å; L165-V207 HydrophobicContact CG-CG1 4.15Å; L165-K285 WeakPolarHBondContact CD2-O 3.2Å; L165-I287 HydrophobicContact CD1-CG1 4.4Å
166M92.8Very high91.5Very high14 Ų1435.5 Ų35.57%0.06920%0.203CC..Hα-helixtrans-57.1-34.8179-77.2-57.8-53.300113.1R163 T168 F169 N170 I360 L365 V467R163-M166 WeakPolarHBondContact O-CB 3.45Å; R163-M166 VanDerWaalsContact O-CG 3.28Å; R163-M166 WeakPolarHBondContact O-CG 3.45Å; R163-M166 PolarHBondContact O-N 2.93Å; M166-T168 VanDerWaalsContact C-N 3.32Å; M166-T168 PolarHBondContact O-N 3.35Å; M166-F169 PolarHBondContact O-N 3.08Å; M166-F169 HydrophobicContact SD-CD2 4.25Å; M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 2.88Å; M166-I360 WeakPolarHBondContact CE-O 3.31Å; M166-L365 HydrophobicContact CE-CD1 3.85Å; M166-L365 HydrophobicContact CE-CG 4.4Å; M166-L365 HydrophobicContact SD-CD1 4.05Å; M166-V467 HydrophobicContact CE-CG2 3.76Å
167G92.1Very high91.9Very high42 Ų4235.5 Ų35.543%0.43320%0.203SC..Hα-helixtrans-58.1-45.1174.300000111.7L165 N170 E171L165-G167 PolarHBondContact O-N 3.47Å; G167-N170 PolarHBondContact O-N 2.79Å; G167-E171 WeakPolarHBondContact O-CB 3.46Å; G167-E171 PolarHBondContact O-N 3.36Å
168T90.8Very high92Very high30 Ų3038.8 Ų38.818%0.18422%0.221CC..Hα-helixtrans-68.1-38.8178.7-500000112.6L165 M166 N170 E171 R172 K206 V207L165-T168 WeakPolarHBondContact O-CB 3.39Å; L165-T168 PolarHBondContact O-N 2.99Å; M166-T168 VanDerWaalsContact C-N 3.32Å; M166-T168 PolarHBondContact O-N 3.35Å; T168-N170 VanDerWaalsContact C-N 3.33Å; T168-N170 PolarHBondContact O-N 3.11Å; T168-E171 PolarHBondContact O-N 3.22Å; T168-R172 HydrophobicContact CG2-CG 4.37Å; T168-R172 WeakPolarHBondContact O-CB 3.36Å; T168-R172 VanDerWaalsContact O-CG 3.27Å; T168-R172 WeakPolarHBondContact O-CG 3.27Å; T168-R172 PolarHBondContact O-N 3.34Å; T168-K206 HydrophobicContact CG2-CB 4.05Å; T168-K206 HydrophobicContact CG2-CG 3.41Å; T168-K206 VanDerWaalsContact CG2-CG 3.41Å; T168-V207 HydrophobicContact CG2-CG2 3.51Å
169F92.5Very high92.1Very high3 Ų340.4 Ų40.41%0.01322%0.222CC..Hα-helixtrans-60.3-44173-74.6-67.6000111.5L165 M166 A173 V203 V207 F460 E464 V467L165-F169 HydrophobicContact CB-CE2 4.25Å; L165-F169 WeakPolarHBondContact O-CD2 3.46Å; L165-F169 PolarHBondContact O-N 3.35Å; L165-F169 VanDerWaalsContact O-N 3.14Å; M166-F169 PolarHBondContact O-N 3.08Å; M166-F169 HydrophobicContact SD-CD2 4.25Å; F169-A173 VanDerWaalsContact O-CB 3.25Å; F169-A173 WeakPolarHBondContact O-CB 3.37Å; F169-A173 PolarHBondContact O-N 2.73Å; F169-V203 HydrophobicContact CD1-CG1 3.66Å; F169-V203 HydrophobicContact CE1-CG1 3.57Å; F169-V207 HydrophobicContact CE1-CG2 4.42Å; F169-V207 HydrophobicContact CZ-CG1 4.47Å; F169-V207 HydrophobicContact CZ-CG2 4.49Å; F169-F460 HydrophobicContact CE1-CD1 4.29Å; F169-F460 HydrophobicContact CE1-CD2 4.36Å; F169-F460 AromaticContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE2 4Å; F169-F460 HydrophobicContact CE1-CG 4.5Å; F169-F460 AromaticContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CZ-CD1 4.33Å; F169-F460 AromaticContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CE1 4.2Å; F169-F460 AromaticContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CG 4.08Å; F169-F460 AromaticContact CZ-CZ 3.88Å; F169-F460 HydrophobicContact CZ-CZ 3.88Å; F169-E464 HydrophobicContact CD1-CB 4.09Å; F169-E464 HydrophobicContact CD1-CG 4.48Å; F169-E464 HydrophobicContact CE1-CB 3.84Å; F169-E464 HydrophobicContact CE1-CG 4.44Å; F169-V467 HydrophobicContact CB-CG1 4.49Å; F169-V467 HydrophobicContact CB-CG2 4.41Å
170N94.8Very high92.4Very high9 Ų938.3 Ų38.35%0.04821%0.209CC..Hα-helixtrans-65.6-48.6177.6-80.6-78.3000111.8M166 G167 T168 R172 A173 E174 I360 K471M166-N170 PolarHBondContact O-N 3.4Å; M166-N170 PolarHBondContact O-ND2 2.88Å; G167-N170 PolarHBondContact O-N 2.79Å; T168-N170 VanDerWaalsContact C-N 3.33Å; T168-N170 PolarHBondContact O-N 3.11Å; N170-R172 VanDerWaalsContact C-N 3.32Å; N170-R172 PolarHBondContact O-N 3.14Å; N170-A173 PolarHBondContact O-N 3.14Å; N170-E174 WeakPolarHBondContact O-CB 3.31Å; N170-E174 PolarHBondContact O-N 3.22Å; N170-I360 PolarHBondContact ND2-O 3.18Å; N170-I360 PolarHBondContact OD1-N 3Å; N170-K471 WeakPolarHBondContact OD1-CE 3.41Å
171E93.6Very high92.6Very high82 Ų8233.8 Ų33.838%0.38319%0.19SC..Hα-helixtrans-52.8-48.9178-178.1-158138.400111.4G167 T168 E174 K175G167-E171 WeakPolarHBondContact O-CB 3.46Å; G167-E171 PolarHBondContact O-N 3.36Å; T168-E171 PolarHBondContact O-N 3.22Å; E171-E174 WeakPolarHBondContact O-CB 3.4Å; E171-E174 PolarHBondContact O-N 2.91Å; E171-K175 PolarHBondContact O-N 3.42Å
172R91.8Very high92.7Very high2 Ų237.2 Ų37.21%0.00821%0.211CC..Hα-helixtrans-73.4-37.8-176.8-64.3-70.5147173.3-1.8112.5T168 N170 E174 K175 V203 D212T168-R172 HydrophobicContact CG2-CG 4.37Å; T168-R172 WeakPolarHBondContact O-CB 3.36Å; T168-R172 VanDerWaalsContact O-CG 3.27Å; T168-R172 WeakPolarHBondContact O-CG 3.27Å; T168-R172 PolarHBondContact O-N 3.34Å; N170-R172 VanDerWaalsContact C-N 3.32Å; N170-R172 PolarHBondContact O-N 3.14Å; R172-E174 VanDerWaalsContact C-N 3.26Å; R172-E174 PolarHBondContact O-N 3.36Å; R172-K175 PolarHBondContact O-N 3.26Å; R172-V203 HydrophobicContact CB-CG2 3.43Å; R172-V203 VanDerWaalsContact CB-CG2 3.43Å; R172-V203 HydrophobicContact CG-CG2 4.08Å; R172-D212 IonicContact CZ-OD1 2.93Å; R172-D212 IonicContact CZ-OD2 3.56Å; R172-D212 IonicContact NH1-OD1 3.49Å; R172-D212 PolarHBondContact NH1-OD1 3.34Å; R172-D212 IonicContact NH1-OD2 3.39Å; R172-D212 PolarHBondContact NH1-OD2 3.16Å; R172-D212 VanDerWaalsContact NH1-OD2 3.16Å; R172-D212 IonicContact NH2-OD1 2.77Å; R172-D212 IonicContact NH2-OD2 3.24Å; R172-D212 PolarHBondContact NH2-OD2 2.7Å
173A93.4Very high92.7Very high0 Ų038.8 Ų38.80%022%0.219CC..Hα-helixtrans-65.8-32.1172.600000111.6F169 N170 L176 M177 V467 V468 K471F169-A173 VanDerWaalsContact O-CB 3.25Å; F169-A173 WeakPolarHBondContact O-CB 3.37Å; F169-A173 PolarHBondContact O-N 2.73Å; N170-A173 PolarHBondContact O-N 3.14Å; A173-L176 WeakPolarHBondContact O-CB 3.22Å; A173-L176 PolarHBondContact O-N 2.84Å; A173-M177 WeakPolarHBondContact O-CG 3.47Å; A173-M177 PolarHBondContact O-N 3.4Å; A173-M177 VanDerWaalsContact O-N 3.12Å; A173-V467 HydrophobicContact CB-CG1 3.8Å; A173-V468 HydrophobicContact CB-CG2 4.08Å; A173-K471 HydrophobicContact CB-CD 3.62Å
174E94.3Very high92.7Very high22 Ų2233.9 Ų33.910%0.10320%0.203CC..Hα-helixtrans-63.6-43.6176.1-161.369.6-17800111.5N170 E171 R172 L176 M177 D178 Q358 K471 R475N170-E174 WeakPolarHBondContact O-CB 3.31Å; N170-E174 PolarHBondContact O-N 3.22Å; E171-E174 WeakPolarHBondContact O-CB 3.4Å; E171-E174 PolarHBondContact O-N 2.91Å; R172-E174 VanDerWaalsContact C-N 3.26Å; R172-E174 PolarHBondContact O-N 3.36Å; E174-L176 PolarHBondContact O-N 3.1Å; E174-L176 VanDerWaalsContact O-N 3.15Å; E174-M177 CarbonylContact O-C 3.36Å; E174-M177 WeakPolarHBondContact O-CA 3.48Å; E174-M177 WeakPolarHBondContact O-CB 3.27Å; E174-M177 PolarHBondContact O-N 2.86Å; E174-D178 PolarHBondContact O-N 3.13Å; E174-Q358 PolarHBondContact OE1-NE2 3.06Å; E174-K471 IonicContact OE2-NZ 2.96Å; E174-K471 PolarHBondContact OE2-NZ 3.33Å; E174-R475 VanDerWaalsContact CD-NH1 3.32Å; E174-R475 VanDerWaalsContact CD-NH2 3.26Å; E174-R475 IonicContact OE1-CZ 3.32Å; E174-R475 IonicContact OE1-NH1 3.76Å; E174-R475 PolarHBondContact OE1-NH1 3.31Å; E174-R475 IonicContact OE1-NH2 3.55Å; E174-R475 PolarHBondContact OE1-NH2 3.48Å; E174-R475 IonicContact OE2-CZ 3.81Å; E174-R475 IonicContact OE2-NH1 3.83Å; E174-R475 PolarHBondContact OE2-NH1 2.9Å; E174-R475 IonicContact OE2-NH2 2.7Å; E174-R475 PolarHBondContact OE2-NH2 2.89Å
175K93.3Very high92.5Very high52 Ų5235.5 Ų35.523%0.22620%0.196CC..Hα-helixtrans-54.8-35.9174.3-69.2-172171.3-167.30112.8E171 R172 K179 D212 D214 L216E171-K175 PolarHBondContact O-N 3.42Å; R172-K175 PolarHBondContact O-N 3.26Å; K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.47Å; K175-K179 VanDerWaalsContact O-N 3.14Å; K175-D212 IonicContact NZ-OD1 3.31Å; K175-D212 IonicContact NZ-OD2 2.97Å; K175-D212 PolarHBondContact NZ-OD2 3.29Å; K175-D214 IonicContact NZ-OD1 3.41Å; K175-D214 PolarHBondContact NZ-OD1 3.31Å; K175-L216 HydrophobicContact CB-CD1 4.09Å; K175-L216 WeakPolarHBondContact O-CD1 3.44Å
176L94.1Very high92.3Very high2 Ų237.1 Ų37.11%0.0121%0.208CC..Hα-helixtrans-66.7-45172.8-177.751.2000111.4A173 E174 D178 K179 L180 L195 V196 V199 V468A173-L176 WeakPolarHBondContact O-CB 3.22Å; A173-L176 PolarHBondContact O-N 2.84Å; E174-L176 PolarHBondContact O-N 3.1Å; E174-L176 VanDerWaalsContact O-N 3.15Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.19Å; L176-K179 PolarHBondContact O-N 2.9Å; L176-L180 HydrophobicContact CD1-CD1 4.1Å; L176-L180 HydrophobicContact CD1-CG 4.12Å; L176-L180 HydrophobicContact CG-CD1 3.98Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.25Å; L176-L180 VanDerWaalsContact O-CG 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.08Å; L176-L195 HydrophobicContact CD1-CB 3.71Å; L176-V196 HydrophobicContact CD2-CG2 4.21Å; L176-V199 HydrophobicContact CB-CB 4.42Å; L176-V199 HydrophobicContact CB-CG1 4.25Å; L176-V199 HydrophobicContact CB-CG2 3.58Å; L176-V199 HydrophobicContact CD1-CG2 3.98Å; L176-V199 HydrophobicContact CD2-CB 4.36Å; L176-V199 HydrophobicContact CD2-CG1 4.39Å; L176-V199 HydrophobicContact CD2-CG2 4.12Å; L176-V199 HydrophobicContact CG-CG2 4.06Å; L176-V468 HydrophobicContact CD2-CG1 3.94Å
177M95.4Very high91.7Very high0 Ų042.6 Ų42.60%025%0.248CC..Hα-helixtrans-62.8-40.9179.4-62.1-55.2105.700111.4A173 E174 L180 S181 K471 L472 F476A173-M177 WeakPolarHBondContact O-CG 3.47Å; A173-M177 PolarHBondContact O-N 3.4Å; A173-M177 VanDerWaalsContact O-N 3.12Å; E174-M177 CarbonylContact O-C 3.36Å; E174-M177 WeakPolarHBondContact O-CA 3.48Å; E174-M177 WeakPolarHBondContact O-CB 3.27Å; E174-M177 PolarHBondContact O-N 2.86Å; M177-L180 HydrophobicContact CE-CD1 3.95Å; M177-L180 CarbonylContact O-C 3.56Å; M177-L180 PolarHBondContact O-N 3.28Å; M177-S181 WeakPolarHBondContact O-CB 3.44Å; M177-S181 PolarHBondContact O-N 2.94Å; M177-K471 HydrophobicContact CE-CB 4.29Å; M177-K471 HydrophobicContact CG-CB 3.85Å; M177-K471 HydrophobicContact CG-CD 4.45Å; M177-K471 HydrophobicContact SD-CB 3.75Å; M177-L472 HydrophobicContact CE-CB 4.23Å; M177-L472 HydrophobicContact SD-CB 4.5Å; M177-F476 HydrophobicContact CB-CE2 4.21Å; M177-F476 WeakPolarHBondContact O-CZ 3.37Å; M177-F476 HydrophobicContact SD-CD2 4.05Å; M177-F476 HydrophobicContact SD-CE2 3.71Å
178D94Very high91.5Very high82 Ų8244.4 Ų44.444%0.43925%0.251SS..Hα-helixtrans-60.8-47.1175.8-63.2-21.4000110.3E174 L176 L180 S181 D182E174-D178 PolarHBondContact O-N 3.13Å; L176-D178 VanDerWaalsContact C-N 3.33Å; L176-D178 PolarHBondContact O-N 3.19Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 3.12Å; D178-S181 WeakPolarHBondContact O-CA 3.28Å; D178-S181 VanDerWaalsContact O-CB 3.25Å; D178-S181 WeakPolarHBondContact O-CB 3.5Å; D178-S181 PolarHBondContact O-N 3.17Å; D178-S181 VanDerWaalsContact O-N 3.07Å; D178-D182 PolarHBondContact O-N 3.43Å
179K92.9Very high91.5Very high77 Ų7746.1 Ų46.134%0.33526%0.262SS..Hα-helixtrans-62.6-36.3177.2-172.457.7173.9-178.20113K175 L176 L183 L195 L216K175-K179 WeakPolarHBondContact O-CB 3.39Å; K175-K179 PolarHBondContact O-N 3.47Å; K175-K179 VanDerWaalsContact O-N 3.14Å; L176-K179 PolarHBondContact O-N 2.9Å; K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 3.41Å; K179-L195 HydrophobicContact CG-CD2 4.04Å; K179-L216 HydrophobicContact CB-CD1 4.35Å
180L94.1Very high91.6Very high0 Ų046 Ų460%026%0.262CS..Hα-helixtrans-71.9-33.7174.9-71.3171.7000111.6L176 M177 D178 D182 L183 A184 A190 M192 L195 L472 F476 I504L176-L180 HydrophobicContact CD1-CD1 4.1Å; L176-L180 HydrophobicContact CD1-CG 4.12Å; L176-L180 HydrophobicContact CG-CD1 3.98Å; L176-L180 HydrophobicContact CG-CG 4.44Å; L176-L180 WeakPolarHBondContact O-CB 3.25Å; L176-L180 VanDerWaalsContact O-CG 3.29Å; L176-L180 WeakPolarHBondContact O-CG 3.49Å; L176-L180 PolarHBondContact O-N 3.08Å; M177-L180 HydrophobicContact CE-CD1 3.95Å; M177-L180 CarbonylContact O-C 3.56Å; M177-L180 PolarHBondContact O-N 3.28Å; D178-L180 VanDerWaalsContact C-N 3.29Å; D178-L180 PolarHBondContact O-N 3.12Å; L180-D182 VanDerWaalsContact C-N 3.33Å; L180-L183 CarbonylContact O-C 3.55Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L183 VanDerWaalsContact O-N 3.15Å; L180-A184 WeakPolarHBondContact O-CB 3.38Å; L180-A184 PolarHBondContact O-N 3.06Å; L180-A190 HydrophobicContact CD2-CB 4.26Å; L180-M192 HydrophobicContact CD1-CE 4.09Å; L180-M192 HydrophobicContact CD2-CE 4.1Å; L180-M192 HydrophobicContact CD2-SD 3.68Å; L180-L195 HydrophobicContact CD2-CD1 3.74Å; L180-L472 HydrophobicContact CD1-CD1 3.64Å; L180-F476 HydrophobicContact CB-CD2 4.38Å; L180-F476 HydrophobicContact CB-CE1 4.28Å; L180-F476 HydrophobicContact CB-CE2 3.86Å; L180-F476 HydrophobicContact CB-CZ 3.8Å; L180-F476 HydrophobicContact CD1-CD2 4.47Å; L180-F476 HydrophobicContact CD1-CE2 4.43Å; L180-I504 HydrophobicContact CD2-CG1 4.2Å
181S93.5Very high91.5Very high47 Ų4748.3 Ų48.333%0.32927%0.274SS..Hα-helixtrans-61.7-41.3173.6-162.80000111.4M177 D178 L183 A184 H506M177-S181 WeakPolarHBondContact O-CB 3.44Å; M177-S181 PolarHBondContact O-N 2.94Å; D178-S181 WeakPolarHBondContact O-CA 3.28Å; D178-S181 VanDerWaalsContact O-CB 3.25Å; D178-S181 WeakPolarHBondContact O-CB 3.5Å; D178-S181 PolarHBondContact O-N 3.17Å; D178-S181 VanDerWaalsContact O-N 3.07Å; S181-L183 PolarHBondContact O-N 3.32Å; S181-A184 PolarHBondContact O-N 3.25Å; S181-H506 PolarHBondContact OG-CE1 3.46Å; S181-H506 PolarHBondContact OG-NE2 3.23Å; S181-H506 VanDerWaalsContact OG-NE2 3.11Å
182D91.4Very high91.6Very high120 Ų12044.4 Ų44.464%0.64226%0.256SS*.Hα-helixtrans-62.2-30.6175.2-66.1-23000112.7D178 L180D178-D182 PolarHBondContact O-N 3.43Å; L180-D182 VanDerWaalsContact C-N 3.33Å
183L90.7Very high91.6Very high33 Ų3345.1 Ų45.117%0.17326%0.26CS..Hα-helixtrans-90.5-20.6179.6-65174000112.5K179 L180 S181 S186 T188 A190 L195K179-L183 WeakPolarHBondContact O-CG 3.44Å; K179-L183 PolarHBondContact O-N 3.41Å; L180-L183 CarbonylContact O-C 3.55Å; L180-L183 PolarHBondContact O-N 3.49Å; L180-L183 VanDerWaalsContact O-N 3.15Å; S181-L183 PolarHBondContact O-N 3.32Å; L183-S186 VanDerWaalsContact O-CB 3.3Å; L183-S186 WeakPolarHBondContact O-CB 3.43Å; L183-S186 PolarHBondContact O-N 3.27Å; L183-S186 PolarHBondContact O-OG 2.93Å; L183-T188 HydrophobicContact CD2-CG2 4.13Å; L183-A190 HydrophobicContact CD1-CB 4Å; L183-L195 HydrophobicContact CD1-CD1 4.28Å
184A90.4Very high91.5Very high11 Ų1150.8 Ų50.89%0.09129%0.287CS..THydrogen-bonded Turntrans-64.9143.6-176.100000110.7L180 S181 S186 F476 I504L180-A184 WeakPolarHBondContact O-CB 3.38Å; L180-A184 PolarHBondContact O-N 3.06Å; S181-A184 PolarHBondContact O-N 3.25Å; A184-S186 PolarHBondContact O-N 3.01Å; A184-F476 HydrophobicContact CB-CD1 4.13Å; A184-F476 HydrophobicContact CB-CE1 3.85Å; A184-I504 WeakPolarHBondContact CA-O 3.42Å; A184-I504 HydrophobicContact CB-CG2 4.02Å
185D87.4Confident91.4Very high103 Ų10350.8 Ų50.855%0.55129%0.287SS*.THydrogen-bonded Turntrans60.6-2.3-177.7-53.2-36.3000115I504 K505 H506D185-I504 PolarHBondContact N-O 3.02Å; D185-K505 VanDerWaalsContact OD1-CA 3.31Å; D185-K505 WeakPolarHBondContact OD1-CA 3.45Å; D185-K505 WeakPolarHBondContact OD1-CB 3.5Å; D185-H506 PolarHBondContact OD1-N 3.15Å; D185-H506 IonicContact OD2-CD2 2.73Å; D185-H506 PolarHBondContact OD2-CD2 3.32Å; D185-H506 VanDerWaalsContact OD2-CD2 3.31Å; D185-H506 IonicContact OD2-CG 2.63Å
186S85.8Confident91.4Very high48 Ų4848.4 Ų48.434%0.33628%0.277SS..SBendtrans-78.3161169.388.50000110.6L183 A184 T188L183-S186 VanDerWaalsContact O-CB 3.3Å; L183-S186 WeakPolarHBondContact O-CB 3.43Å; L183-S186 PolarHBondContact O-N 3.27Å; L183-S186 PolarHBondContact O-OG 2.93Å; A184-S186 PolarHBondContact O-N 3.01Å; S186-T188 PolarHBondContact O-N 3.37Å; S186-T188 WeakPolarHBondContact OG-CB 3.41Å; S186-T188 PolarHBondContact OG-N 2.99Å; S186-T188 PolarHBondContact OG-OG1 3.26Å
187S79.8Confident91.2Very high129 Ų12949.7 Ų49.790%0.90228%0.284SS*.SBendtrans-78.24.4170.2-58.90000113P189S187-P189 WeakPolarHBondContact O-CD 3.24Å
188T87.9Confident91Very high80 Ų8050.7 Ų50.749%0.49129%0.29SS..PPolyproline II helixtrans-86.9120.8-174.9-49.80000110.5L183 S186L183-T188 HydrophobicContact CD2-CG2 4.13Å; S186-T188 PolarHBondContact O-N 3.37Å; S186-T188 WeakPolarHBondContact OG-CB 3.41Å; S186-T188 PolarHBondContact OG-N 2.99Å; S186-T188 PolarHBondContact OG-OG1 3.26Å
189P91.3Very high90.8Very high66 Ų6646.9 Ų46.943%0.42927%0.27SS..PPolyproline II helixtrans-61.2137.1172.6-27.939.1000113.4S187 I481 I501S187-P189 WeakPolarHBondContact O-CD 3.24Å; P189-I481 HydrophobicContact CB-CD1 3.42Å; P189-I481 VanDerWaalsContact CB-CD1 3.42Å; P189-I481 HydrophobicContact CG-CD1 3.42Å; P189-I481 VanDerWaalsContact CG-CD1 3.42Å; P189-I501 HydrophobicContact CB-CG2 3.56Å
190A93Very high90.7Very high1 Ų143.2 Ų43.21%0.00826%0.255CS..EExtended strand (participates in β ladder)trans-93.9122.4171.400000110.7L180 L183 M192 L195 I501 C502 I504L180-A190 HydrophobicContact CD2-CB 4.26Å; L183-A190 HydrophobicContact CD1-CB 4Å; A190-M192 HydrophobicContact CB-SD 3.98Å; A190-M192 PolarHBondContact O-N 3.2Å; A190-M192 VanDerWaalsContact O-N 3.13Å; A190-L195 HydrophobicContact CB-CD1 4.2Å; A190-I501 CarbonylContact O-C 3.46Å; A190-I501 WeakPolarHBondContact O-CA 3.43Å; A190-C502 PolarHBondContact N-O 2.92Å; A190-C502 PolarHBondContact O-N 3.46Å; A190-I504 HydrophobicContact CB-CD1 4.41Å; A190-I504 HydrophobicContact CB-CG1 3.69Å
191N94.1Very high90.5Very high57 Ų5743.2 Ų43.231%0.30526%0.255SS..EExtended strand (participates in β ladder)trans-81.286.8169.2-175-11.6000109.7L193 Q194 L195 V500N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.19Å; N191-L193 PolarHBondContact OD1-N 3.18Å; N191-Q194 HydrophobicContact CB-CB 4.12Å; N191-Q194 PolarHBondContact ND2-OE1 3.24Å; N191-Q194 PolarHBondContact O-N 3.06Å; N191-Q194 PolarHBondContact OD1-N 2.59Å; N191-L195 WeakPolarHBondContact O-CG 3.34Å; N191-L195 PolarHBondContact O-N 3.1Å; N191-V500 CarbonylContact C-O 3.51Å
192M94.6Very high90.3Very high1 Ų141.1 Ų41.11%0.00524%0.24CC..Hα-helixtrans-59.9-38.6-176.3-61.2-56.8-70.400112.5L180 A190 Q194 L195 V196 I333 L472 V500 C502 I504L180-M192 HydrophobicContact CD1-CE 4.09Å; L180-M192 HydrophobicContact CD2-CE 4.1Å; L180-M192 HydrophobicContact CD2-SD 3.68Å; A190-M192 HydrophobicContact CB-SD 3.98Å; A190-M192 PolarHBondContact O-N 3.2Å; A190-M192 VanDerWaalsContact O-N 3.13Å; M192-Q194 PolarHBondContact O-N 3.21Å; M192-L195 PolarHBondContact O-N 3.27Å; M192-L195 HydrophobicContact SD-CD1 4.44Å; M192-V196 WeakPolarHBondContact O-CB 3.34Å; M192-V196 WeakPolarHBondContact O-CG2 3.5Å; M192-V196 PolarHBondContact O-N 3.12Å; M192-I333 HydrophobicContact CB-CD1 4.22Å; M192-I333 HydrophobicContact CE-CD1 3.83Å; M192-I333 HydrophobicContact CG-CG2 4.41Å; M192-L472 HydrophobicContact CE-CD1 3.92Å; M192-L472 HydrophobicContact CE-CD2 4.05Å; M192-V500 HydrophobicContact CB-CB 4.18Å; M192-V500 HydrophobicContact CB-CG1 3.94Å; M192-V500 WeakPolarHBondContact CB-O 3.44Å; M192-V500 HydrophobicContact CG-CG1 4.4Å; M192-V500 PolarHBondContact N-O 2.9Å; M192-C502 HydrophobicContact CG-CB 3.88Å; M192-I504 HydrophobicContact SD-CD1 3.9Å
193L92.3Very high90.3Very high17 Ų1735.5 Ų35.59%0.08921%0.209CC..Hα-helixtrans-60.5-47.2177.117560.7000111N191 N197 N327 A330 V500N191-L193 VanDerWaalsContact C-N 3.31Å; N191-L193 PolarHBondContact O-N 3.19Å; N191-L193 PolarHBondContact OD1-N 3.18Å; L193-N197 VanDerWaalsContact O-CB 3.27Å; L193-N197 WeakPolarHBondContact O-CB 3Å; L193-N197 PolarHBondContact O-N 3.46Å; L193-N197 PolarHBondContact O-ND2 3.24Å; L193-N327 WeakPolarHBondContact CD1-OD1 3.44Å; L193-A330 HydrophobicContact CB-CB 4.24Å; L193-A330 HydrophobicContact CD1-CB 3.6Å; L193-A330 HydrophobicContact CG-CB 4.49Å; L193-V500 HydrophobicContact CB-CB 4.36Å; L193-V500 HydrophobicContact CB-CG2 4.48Å
194Q91Very high90.2Very high119 Ų11934.1 Ų34.156%0.55620%0.202SC*.Hα-helixtrans-64.7-45.5178.5-178.1-179.4-9.600111.9N191 M192 N197 S198N191-Q194 HydrophobicContact CB-CB 4.12Å; N191-Q194 PolarHBondContact ND2-OE1 3.24Å; N191-Q194 PolarHBondContact O-N 3.06Å; N191-Q194 PolarHBondContact OD1-N 2.59Å; M192-Q194 PolarHBondContact O-N 3.21Å; Q194-N197 PolarHBondContact O-N 3.03Å; Q194-S198 PolarHBondContact O-N 3.37Å; Q194-S198 PolarHBondContact O-OG 2.78Å
195L92.9Very high90.2Very high22 Ų2233.6 Ų33.612%0.11520%0.198CC..Hα-helixtrans-63.2-44.5-178.7-69.5171.9000112L176 K179 L180 L183 A190 N191 M192 S198 V199 L216L176-L195 HydrophobicContact CD1-CB 3.71Å; K179-L195 HydrophobicContact CG-CD2 4.04Å; L180-L195 HydrophobicContact CD2-CD1 3.74Å; L183-L195 HydrophobicContact CD1-CD1 4.28Å; A190-L195 HydrophobicContact CB-CD1 4.2Å; N191-L195 WeakPolarHBondContact O-CG 3.34Å; N191-L195 PolarHBondContact O-N 3.1Å; M192-L195 PolarHBondContact O-N 3.27Å; M192-L195 HydrophobicContact SD-CD1 4.44Å; L195-S198 PolarHBondContact O-N 3.1Å; L195-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V199 VanDerWaalsContact O-N 3.08Å; L195-L216 HydrophobicContact CD2-CD2 3.85Å
196V92.7Very high90.3Very high1 Ų131.6 Ų31.61%0.00618%0.184CC..Hα-helixtrans-69.6-37.3177.9178.90000111.2L176 M192 S198 V199 T200 A326 L329 I333L176-V196 HydrophobicContact CD2-CG2 4.21Å; M192-V196 WeakPolarHBondContact O-CB 3.34Å; M192-V196 WeakPolarHBondContact O-CG2 3.5Å; M192-V196 PolarHBondContact O-N 3.12Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 PolarHBondContact O-N 2.72Å; V196-V199 PolarHBondContact O-N 3.37Å; V196-T200 HydrophobicContact CG1-CG2 4.01Å; V196-T200 WeakPolarHBondContact O-CB 3.36Å; V196-T200 VanDerWaalsContact O-CG2 3.3Å; V196-T200 WeakPolarHBondContact O-CG2 3.39Å; V196-T200 PolarHBondContact O-N 3.21Å; V196-T200 PolarHBondContact O-OG1 3.14Å; V196-A326 HydrophobicContact CG1-CB 3.94Å; V196-L329 HydrophobicContact CG1-CB 3.72Å; V196-L329 HydrophobicContact CG1-CD1 3.46Å; V196-L329 VanDerWaalsContact CG1-CD1 3.46Å; V196-L329 HydrophobicContact CG1-CG 4.23Å; V196-I333 HydrophobicContact CG2-CD1 4.33Å
197N90.1Very high90.3Very high30 Ų3029.4 Ų29.416%0.1617%0.169CC..Hα-helixtrans-58.4-45.1172.4-77.6-17.3000111.5L193 Q194 T200 L201 Q322 A326L193-N197 VanDerWaalsContact O-CB 3.27Å; L193-N197 WeakPolarHBondContact O-CB 3Å; L193-N197 PolarHBondContact O-N 3.46Å; L193-N197 PolarHBondContact O-ND2 3.24Å; Q194-N197 PolarHBondContact O-N 3.03Å; N197-T200 PolarHBondContact O-OG1 3.09Å; N197-T200 VanDerWaalsContact O-OG1 3.08Å; N197-L201 WeakPolarHBondContact O-CB 3.19Å; N197-L201 PolarHBondContact O-N 3.44Å; N197-L201 VanDerWaalsContact O-N 3.16Å; N197-Q322 PolarHBondContact OD1-O 3.22Å; N197-A326 HydrophobicContact CB-CB 4.46Å; N197-A326 WeakPolarHBondContact OD1-CB 3.39Å
198S90.6Very high90.6Very high20 Ų2023.2 Ų23.214%0.1413%0.126CC..Hα-helixtrans-61.1-47.5177.2-70.30000111.6Q194 L195 V196 L201 D202Q194-S198 PolarHBondContact O-N 3.37Å; Q194-S198 PolarHBondContact O-OG 2.78Å; L195-S198 PolarHBondContact O-N 3.1Å; V196-S198 VanDerWaalsContact C-N 3.34Å; V196-S198 PolarHBondContact O-N 2.72Å; S198-L201 PolarHBondContact O-N 3.48Å; S198-D202 PolarHBondContact O-N 3Å
199V91.3Very high90.5Very high3 Ų319.7 Ų19.72%0.01810%0.104CC..Hα-helixtrans-69.7-42.7-175.2169.60000112.2L176 L195 V196 L201 D202 V203 L216L176-V199 HydrophobicContact CB-CB 4.42Å; L176-V199 HydrophobicContact CB-CG1 4.25Å; L176-V199 HydrophobicContact CB-CG2 3.58Å; L176-V199 HydrophobicContact CD1-CG2 3.98Å; L176-V199 HydrophobicContact CD2-CB 4.36Å; L176-V199 HydrophobicContact CD2-CG1 4.39Å; L176-V199 HydrophobicContact CD2-CG2 4.12Å; L176-V199 HydrophobicContact CG-CG2 4.06Å; L195-V199 WeakPolarHBondContact O-CG2 3.44Å; L195-V199 PolarHBondContact O-N 3.36Å; L195-V199 VanDerWaalsContact O-N 3.08Å; V196-V199 PolarHBondContact O-N 3.37Å; V199-L201 VanDerWaalsContact C-N 3.28Å; V199-L201 PolarHBondContact O-N 2.78Å; V199-D202 CarbonylContact O-C 3.5Å; V199-D202 PolarHBondContact O-N 2.97Å; V199-V203 HydrophobicContact CG1-CG2 4.24Å; V199-V203 WeakPolarHBondContact O-CB 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 3.19Å; V199-L216 HydrophobicContact CG2-CD1 3.66Å; V199-L216 HydrophobicContact CG2-CD2 4.04Å; V199-L216 HydrophobicContact CG2-CG 4.04Å
200T90.4Very high90.1Very high0 Ų017.7 Ų17.70%010%0.095CC..Hα-helixtrans-64.9-3317750.60000112.2V196 N197 I204 Q322 T325 A326 L329 E464V196-T200 HydrophobicContact CG1-CG2 4.01Å; V196-T200 WeakPolarHBondContact O-CB 3.36Å; V196-T200 VanDerWaalsContact O-CG2 3.3Å; V196-T200 WeakPolarHBondContact O-CG2 3.39Å; V196-T200 PolarHBondContact O-N 3.21Å; V196-T200 PolarHBondContact O-OG1 3.14Å; N197-T200 PolarHBondContact O-OG1 3.09Å; N197-T200 VanDerWaalsContact O-OG1 3.08Å; T200-I204 PolarHBondContact O-N 3.48Å; T200-I204 VanDerWaalsContact O-N 3.09Å; T200-Q322 WeakPolarHBondContact OG1-CA 3.44Å; T200-T325 HydrophobicContact CG2-CG2 4.45Å; T200-A326 HydrophobicContact CG2-CB 3.98Å; T200-A326 WeakPolarHBondContact OG1-CB 3.36Å; T200-L329 HydrophobicContact CG2-CD1 4.22Å; T200-E464 WeakPolarHBondContact CA-OE1 3.24Å
201L89.9Confident89.7Confident0 Ų019.3 Ų19.30%011%0.105CC..Hα-helixtrans-68.5-42.4170.8-178.855.2000111.8N197 S198 V199 V203 I204 A205 L213 L215 F222 P223 I226 F317 Q322N197-L201 WeakPolarHBondContact O-CB 3.19Å; N197-L201 PolarHBondContact O-N 3.44Å; N197-L201 VanDerWaalsContact O-N 3.16Å; S198-L201 PolarHBondContact O-N 3.48Å; V199-L201 VanDerWaalsContact C-N 3.28Å; V199-L201 PolarHBondContact O-N 2.78Å; L201-V203 VanDerWaalsContact C-N 3.32Å; L201-V203 PolarHBondContact O-N 3.13Å; L201-I204 HydrophobicContact CD1-CG2 4Å; L201-I204 VanDerWaalsContact O-CG2 3.27Å; L201-I204 WeakPolarHBondContact O-CG2 3.21Å; L201-I204 PolarHBondContact O-N 3.16Å; L201-A205 VanDerWaalsContact O-CB 3.28Å; L201-A205 WeakPolarHBondContact O-CB 3.32Å; L201-A205 PolarHBondContact O-N 3.46Å; L201-L213 HydrophobicContact CD2-CD1 4.42Å; L201-L213 HydrophobicContact CG-CD1 4.13Å; L201-L215 HydrophobicContact CB-CD1 3.71Å; L201-L215 HydrophobicContact CD2-CD1 3.26Å; L201-L215 HydrophobicContact CG-CD1 3.49Å; L201-L215 VanDerWaalsContact CG-CD1 3.49Å; L201-F222 HydrophobicContact CD1-CD1 4.22Å; L201-F222 HydrophobicContact CD1-CE1 4.18Å; L201-F222 HydrophobicContact CD2-CD1 4.1Å; L201-P223 HydrophobicContact CD2-CB 4.05Å; L201-P223 HydrophobicContact CD2-CG 3.66Å; L201-I226 HydrophobicContact CD1-CD1 4.17Å; L201-I226 HydrophobicContact CD2-CD1 4.45Å; L201-F317 HydrophobicContact CD1-CD1 3.47Å; L201-F317 VanDerWaalsContact CD1-CD1 3.47Å; L201-F317 HydrophobicContact CD1-CE1 3.67Å; L201-Q322 HydrophobicContact CB-CB 4.03Å; L201-Q322 HydrophobicContact CB-CG 3.95Å; L201-Q322 HydrophobicContact CD1-CB 4.43Å; L201-Q322 VanDerWaalsContact CD2-OE1 3.23Å
202D89.9Confident89.2Confident3 Ų320 Ų202%0.01611%0.108CC..Hα-helixtrans-63-38.7174.5-78.2-16.7000112S198 V199 A205 K206 L213 D214 L215S198-D202 PolarHBondContact O-N 3Å; V199-D202 CarbonylContact O-C 3.5Å; V199-D202 PolarHBondContact O-N 2.97Å; D202-A205 PolarHBondContact O-N 3.21Å; D202-K206 WeakPolarHBondContact O-CB 3.42Å; D202-K206 PolarHBondContact O-N 2.72Å; D202-L213 WeakPolarHBondContact OD1-CB 3.48Å; D202-D214 PolarHBondContact OD1-N 2.72Å; D202-L215 WeakPolarHBondContact OD1-CD1 3.32Å; D202-L215 VanDerWaalsContact OD1-CG 3.23Å; D202-L215 WeakPolarHBondContact OD1-CG 3.27Å; D202-L215 PolarHBondContact OD1-N 3.42Å; D202-L215 PolarHBondContact OD2-N 3.2Å
203V90.6Very high88.6Confident1 Ų121.3 Ų21.31%0.00612%0.115CC..Hα-helixtrans-61.3-52.5175.8169.30000110.1F169 R172 V199 L201 A205 K206 V207 F460 E464F169-V203 HydrophobicContact CD1-CG1 3.66Å; F169-V203 HydrophobicContact CE1-CG1 3.57Å; R172-V203 HydrophobicContact CB-CG2 3.43Å; R172-V203 VanDerWaalsContact CB-CG2 3.43Å; R172-V203 HydrophobicContact CG-CG2 4.08Å; V199-V203 HydrophobicContact CG1-CG2 4.24Å; V199-V203 WeakPolarHBondContact O-CB 3.26Å; V199-V203 WeakPolarHBondContact O-CG2 3.48Å; V199-V203 PolarHBondContact O-N 3.19Å; L201-V203 VanDerWaalsContact C-N 3.32Å; L201-V203 PolarHBondContact O-N 3.13Å; V203-A205 PolarHBondContact O-N 2.99Å; V203-K206 PolarHBondContact O-N 3.21Å; V203-V207 HydrophobicContact CG1-CG2 4.06Å; V203-V207 VanDerWaalsContact O-CB 3.25Å; V203-V207 WeakPolarHBondContact O-CB 3.39Å; V203-V207 WeakPolarHBondContact O-CG2 3.32Å; V203-V207 PolarHBondContact O-N 3.36Å; V203-F460 HydrophobicContact CG1-CE1 4.06Å; V203-F460 HydrophobicContact CG1-CZ 3.8Å; V203-E464 VanDerWaalsContact CB-OE1 3.32Å; V203-E464 WeakPolarHBondContact CB-OE1 3.42Å; V203-E464 HydrophobicContact CG1-CG 4.22Å; V203-E464 VanDerWaalsContact CG1-OE1 3.25Å; V203-E464 WeakPolarHBondContact CG1-OE1 3.11Å
204I88.9Confident88Confident5 Ų522.1 Ų22.13%0.02612%0.12CC..Hα-helixtrans-66.4-38.1179.3-168.467.5000111.5T200 L201 K206 A208 F317 F460T200-I204 PolarHBondContact O-N 3.48Å; T200-I204 VanDerWaalsContact O-N 3.09Å; L201-I204 HydrophobicContact CD1-CG2 4Å; L201-I204 VanDerWaalsContact O-CG2 3.27Å; L201-I204 WeakPolarHBondContact O-CG2 3.21Å; L201-I204 PolarHBondContact O-N 3.16Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.41Å; I204-A208 HydrophobicContact CD1-CB 3.85Å; I204-A208 HydrophobicContact CG1-CB 4.19Å; I204-A208 WeakPolarHBondContact O-CA 3.13Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.46Å; I204-F317 HydrophobicContact CG2-CD1 3.96Å; I204-F317 HydrophobicContact CG2-CE1 3.87Å; I204-F460 HydrophobicContact CB-CZ 4.49Å; I204-F460 HydrophobicContact CD1-CE1 4.12Å; I204-F460 HydrophobicContact CD1-CE2 4.05Å; I204-F460 HydrophobicContact CD1-CZ 3.68Å
205A89.5Confident87.6Confident0 Ų017.3 Ų17.30%010%0.097CC..Hα-helixtrans-60.7-44176.100000111.9L201 D202 V203 F209 G210 V211 L213 F317L201-A205 VanDerWaalsContact O-CB 3.28Å; L201-A205 WeakPolarHBondContact O-CB 3.32Å; L201-A205 PolarHBondContact O-N 3.46Å; D202-A205 PolarHBondContact O-N 3.21Å; V203-A205 PolarHBondContact O-N 2.99Å; A205-F209 CarbonylContact O-C 3.57Å; A205-F209 WeakPolarHBondContact O-CA 3.21Å; A205-F209 WeakPolarHBondContact O-CB 3.46Å; A205-F209 PolarHBondContact O-N 3.17Å; A205-G210 PolarHBondContact O-N 2.9Å; A205-V211 CarbonylContact C-O 3.54Å; A205-V211 VanDerWaalsContact C-O 3.28Å; A205-V211 PolarHBondContact O-N 3.08Å; A205-V211 VanDerWaalsContact O-N 3.13Å; A205-L213 HydrophobicContact CB-CD1 3.66Å; A205-L213 HydrophobicContact CB-CG 3.9Å; A205-F317 HydrophobicContact CB-CE1 4.33Å
206K89.6Confident86.8Confident60 Ų6017.7 Ų17.726%0.26110%0.1SC..Hα-helixtrans-75.4-50.3-178.8-171.867.5174.6-176.90112.4T168 D202 V203 I204 G210 V211T168-K206 HydrophobicContact CG2-CB 4.05Å; T168-K206 HydrophobicContact CG2-CG 3.41Å; T168-K206 VanDerWaalsContact CG2-CG 3.41Å; D202-K206 WeakPolarHBondContact O-CB 3.42Å; D202-K206 PolarHBondContact O-N 2.72Å; V203-K206 PolarHBondContact O-N 3.21Å; I204-K206 VanDerWaalsContact C-N 3.35Å; I204-K206 PolarHBondContact O-N 3.41Å; K206-G210 WeakPolarHBondContact O-CA 3.37Å; K206-G210 PolarHBondContact O-N 3.01Å; K206-V211 VanDerWaalsContact CA-O 3.31Å; K206-V211 WeakPolarHBondContact CA-O 3.3Å; K206-V211 PolarHBondContact N-O 2.94Å
207V87.1Confident85.8Confident2 Ų221.9 Ų21.91%0.01213%0.129CC..Hα-helixtrans-71.1-38.7-176.3-178.40000111.1L165 T168 F169 V203 D286 I287 F460L165-V207 HydrophobicContact CB-CG1 4.06Å; L165-V207 HydrophobicContact CD1-CG1 3.35Å; L165-V207 HydrophobicContact CG-CG1 4.15Å; T168-V207 HydrophobicContact CG2-CG2 3.51Å; F169-V207 HydrophobicContact CE1-CG2 4.42Å; F169-V207 HydrophobicContact CZ-CG1 4.47Å; F169-V207 HydrophobicContact CZ-CG2 4.49Å; V203-V207 HydrophobicContact CG1-CG2 4.06Å; V203-V207 VanDerWaalsContact O-CB 3.25Å; V203-V207 WeakPolarHBondContact O-CB 3.39Å; V203-V207 WeakPolarHBondContact O-CG2 3.32Å; V203-V207 PolarHBondContact O-N 3.36Å; V207-D286 WeakPolarHBondContact O-CB 3.25Å; V207-I287 HydrophobicContact CG1-CD1 4.25Å; V207-I287 PolarHBondContact O-N 2.87Å; V207-F460 HydrophobicContact CB-CE2 3.89Å; V207-F460 HydrophobicContact CB-CZ 4.15Å; V207-F460 HydrophobicContact CG1-CD2 4.46Å; V207-F460 HydrophobicContact CG1-CE2 3.55Å; V207-F460 HydrophobicContact CG1-CZ 4.29Å; V207-F460 HydrophobicContact CG2-CE2 4.49Å
208A84.9Confident85.1Confident0 Ų024.9 Ų24.90%015%0.145CC..Hα-helixtrans-85.3-35.2-177.700000113.5I204 I287 L288I204-A208 HydrophobicContact CD1-CB 3.85Å; I204-A208 HydrophobicContact CG1-CB 4.19Å; I204-A208 WeakPolarHBondContact O-CA 3.13Å; I204-A208 WeakPolarHBondContact O-CB 3.29Å; I204-A208 PolarHBondContact O-N 3.46Å; A208-I287 HydrophobicContact CB-CB 4.18Å; A208-I287 HydrophobicContact CB-CD1 4.05Å; A208-I287 HydrophobicContact CB-CG1 4.46Å; A208-L288 VanDerWaalsContact O-CB 3.22Å; A208-L288 WeakPolarHBondContact O-CB 3.4Å; A208-L288 PolarHBondContact O-N 3.22Å
209F85.9Confident84.4Confident6 Ų632.2 Ų32.23%0.02618%0.182CC..Hα-helixtrans-126.8-2.2-170-53.3-73.7000114.6A205 V211 W269 R273 D286 L288 F313 F316 F317A205-F209 CarbonylContact O-C 3.57Å; A205-F209 WeakPolarHBondContact O-CA 3.21Å; A205-F209 WeakPolarHBondContact O-CB 3.46Å; A205-F209 PolarHBondContact O-N 3.17Å; F209-V211 HydrophobicContact CB-CG2 4.18Å; F209-V211 PolarHBondContact O-N 2.73Å; F209-W269 HydrophobicContact CB-CE3 3.64Å; F209-W269 HydrophobicContact CB-CZ3 3.85Å; F209-W269 HydrophobicContact CD1-CE3 4.48Å; F209-W269 HydrophobicContact CD2-CE3 4.36Å; F209-W269 HydrophobicContact CD2-CZ3 4.08Å; F209-W269 AromaticContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CZ3 4.06Å; F209-R273 PolarHBondContact O-NH2 2.86Å; F209-D286 VanDerWaalsContact C-OD2 3.29Å; F209-L288 HydrophobicContact CD1-CB 3.93Å; F209-L288 HydrophobicContact CD1-CD2 3.99Å; F209-L288 HydrophobicContact CD1-CG 4.37Å; F209-L288 HydrophobicContact CE1-CB 4.46Å; F209-F313 AromaticContact CD1-CD2 3.7Å; F209-F313 HydrophobicContact CD1-CD2 3.7Å; F209-F313 AromaticContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD2-CE2 4.2Å; F209-F313 HydrophobicContact CE1-CB 4.47Å; F209-F313 AromaticContact CE1-CD2 3.13Å; F209-F313 HydrophobicContact CE1-CD2 3.13Å; F209-F313 AromaticContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CG 4.11Å; F209-F313 HydrophobicContact CE2-CD2 4.22Å; F209-F313 HydrophobicContact CE2-CE2 4.07Å; F209-F313 HydrophobicContact CG-CD2 4.43Å; F209-F313 AromaticContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CZ-CB 4.48Å; F209-F313 AromaticContact CZ-CD2 3.4Å; F209-F313 HydrophobicContact CZ-CD2 3.4Å; F209-F313 AromaticContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CG 4.07Å; F209-F316 HydrophobicContact CE1-CD2 4.45Å; F209-F316 HydrophobicContact CZ-CB 4.32Å; F209-F316 AromaticContact CZ-CD2 3.8Å; F209-F316 HydrophobicContact CZ-CD2 3.8Å; F209-F317 HydrophobicContact CD2-CE1 4.44Å; F209-F317 AromaticContact CD2-CE2 3.69Å; F209-F317 HydrophobicContact CD2-CE2 3.69Å; F209-F317 AromaticContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CD2-CZ 3.42Å; F209-F317 VanDerWaalsContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CE2-CD2 4.05Å; F209-F317 HydrophobicContact CE2-CE1 4.22Å; F209-F317 AromaticContact CE2-CE2 3.12Å; F209-F317 HydrophobicContact CE2-CE2 3.12Å; F209-F317 AromaticContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CZ-CD2 4.47Å; F209-F317 AromaticContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CZ 4.3Å
210G83.4Confident84Confident23 Ų2333.9 Ų33.924%0.23719%0.194CC..  trans71.29.6-177.600000113.8A205 K206 D286A205-G210 PolarHBondContact O-N 2.9Å; K206-G210 WeakPolarHBondContact O-CA 3.37Å; K206-G210 PolarHBondContact O-N 3.01Å; G210-D286 WeakPolarHBondContact CA-OD2 3.44Å; G210-D286 PolarHBondContact N-OD2 3.21Å
211V85.2Confident83.8Confident36 Ų3638.1 Ų38.122%0.21822%0.222CC..  trans-94.8136.3-173.9179.60000111A205 K206 F209 L213 W269A205-V211 CarbonylContact C-O 3.54Å; A205-V211 VanDerWaalsContact C-O 3.28Å; A205-V211 PolarHBondContact O-N 3.08Å; A205-V211 VanDerWaalsContact O-N 3.13Å; K206-V211 VanDerWaalsContact CA-O 3.31Å; K206-V211 WeakPolarHBondContact CA-O 3.3Å; K206-V211 PolarHBondContact N-O 2.94Å; F209-V211 HydrophobicContact CB-CG2 4.18Å; F209-V211 PolarHBondContact O-N 2.73Å; V211-L213 HydrophobicContact CG1-CD2 4.12Å; V211-L213 HydrophobicContact CG1-CG 4.46Å; V211-W269 HydrophobicContact CB-CE3 4.22Å; V211-W269 HydrophobicContact CB-CH2 3.79Å; V211-W269 HydrophobicContact CB-CZ2 4.13Å; V211-W269 HydrophobicContact CB-CZ3 3.81Å; V211-W269 HydrophobicContact CG1-CH2 3.65Å; V211-W269 HydrophobicContact CG1-CZ2 3.63Å; V211-W269 HydrophobicContact CG1-CZ3 4.21Å; V211-W269 HydrophobicContact CG2-CD2 3.71Å; V211-W269 HydrophobicContact CG2-CE3 3.55Å; V211-W269 HydrophobicContact CG2-CG 4.39Å; V211-W269 HydrophobicContact CG2-CH2 3.96Å; V211-W269 HydrophobicContact CG2-CZ2 4.05Å; V211-W269 HydrophobicContact CG2-CZ3 3.69Å
212D83.1Confident83.5Confident71 Ų7138.4 Ų38.438%0.3822%0.223SC..  trans-98.8111.2170.7-157.2-20.8000109.5R172 K175 D214R172-D212 IonicContact CZ-OD1 2.93Å; R172-D212 IonicContact CZ-OD2 3.56Å; R172-D212 IonicContact NH1-OD1 3.49Å; R172-D212 PolarHBondContact NH1-OD1 3.34Å; R172-D212 IonicContact NH1-OD2 3.39Å; R172-D212 PolarHBondContact NH1-OD2 3.16Å; R172-D212 VanDerWaalsContact NH1-OD2 3.16Å; R172-D212 IonicContact NH2-OD1 2.77Å; R172-D212 IonicContact NH2-OD2 3.24Å; R172-D212 PolarHBondContact NH2-OD2 2.7Å; K175-D212 IonicContact NZ-OD1 3.31Å; K175-D212 IonicContact NZ-OD2 2.97Å; K175-D212 PolarHBondContact NZ-OD2 3.29Å; D212-D214 PolarHBondContact OD1-N 3.3Å; D212-D214 VanDerWaalsContact OD1-N 3.08Å
213L81.5Confident83.4Confident28 Ų2839.9 Ų39.915%0.14723%0.233CC..  trans-89.8-20174.1-62.3174.3000112L201 D202 A205 V211 L215 F222 W269L201-L213 HydrophobicContact CD2-CD1 4.42Å; L201-L213 HydrophobicContact CG-CD1 4.13Å; D202-L213 WeakPolarHBondContact OD1-CB 3.48Å; A205-L213 HydrophobicContact CB-CD1 3.66Å; A205-L213 HydrophobicContact CB-CG 3.9Å; V211-L213 HydrophobicContact CG1-CD2 4.12Å; V211-L213 HydrophobicContact CG1-CG 4.46Å; L213-L215 VanDerWaalsContact C-N 3.35Å; L213-L215 HydrophobicContact CB-CD1 4.23Å; L213-L215 HydrophobicContact CB-CD2 4.08Å; L213-L215 HydrophobicContact CB-CG 3.78Å; L213-L215 HydrophobicContact CD1-CD1 4.17Å; L213-L215 PolarHBondContact O-N 3Å; L213-F222 HydrophobicContact CD1-CD1 4.37Å; L213-W269 HydrophobicContact CD2-CH2 4.06Å; L213-W269 HydrophobicContact CD2-CZ2 4.17Å
214D80.3Confident83.3Confident35 Ų3544.8 Ų44.819%0.18725%0.254CS..  trans42.153.6-177.1-155.750.5000114.1K175 D202 D212 L216 S217 N218K175-D214 IonicContact NZ-OD1 3.41Å; K175-D214 PolarHBondContact NZ-OD1 3.31Å; D202-D214 PolarHBondContact OD1-N 2.72Å; D212-D214 PolarHBondContact OD1-N 3.3Å; D212-D214 VanDerWaalsContact OD1-N 3.08Å; D214-L216 PolarHBondContact O-N 3.4Å; D214-L216 VanDerWaalsContact O-N 3.14Å; D214-S217 PolarHBondContact O-N 3.36Å; D214-S217 WeakPolarHBondContact OD2-CB 3.46Å; D214-S217 PolarHBondContact OD2-OG 2.91Å; D214-N218 WeakPolarHBondContact O-CB 3.19Å; D214-N218 PolarHBondContact O-N 3Å
215L81.9Confident83.4Confident17 Ų1744.9 Ų44.99%0.08926%0.255CS..THydrogen-bonded Turntrans-71.1-8.9-169.7-65.8170.5000114.7L201 D202 L213 P223L201-L215 HydrophobicContact CB-CD1 3.71Å; L201-L215 HydrophobicContact CD2-CD1 3.26Å; L201-L215 HydrophobicContact CG-CD1 3.49Å; L201-L215 VanDerWaalsContact CG-CD1 3.49Å; D202-L215 WeakPolarHBondContact OD1-CD1 3.32Å; D202-L215 VanDerWaalsContact OD1-CG 3.23Å; D202-L215 WeakPolarHBondContact OD1-CG 3.27Å; D202-L215 PolarHBondContact OD1-N 3.42Å; D202-L215 PolarHBondContact OD2-N 3.2Å; L213-L215 VanDerWaalsContact C-N 3.35Å; L213-L215 HydrophobicContact CB-CD1 4.23Å; L213-L215 HydrophobicContact CB-CD2 4.08Å; L213-L215 HydrophobicContact CB-CG 3.78Å; L213-L215 HydrophobicContact CD1-CD1 4.17Å; L213-L215 PolarHBondContact O-N 3Å; L215-P223 HydrophobicContact CD1-CG 4.07Å; L215-P223 HydrophobicContact CD2-CG 3.83Å
216L75.6Confident83.4Confident31 Ų3144.9 Ų44.916%0.16226%0.255CS..THydrogen-bonded Turntrans-79.4-24.9171.6-67.8178.3000112.5K175 K179 L195 V199 D214K175-L216 HydrophobicContact CB-CD1 4.09Å; K175-L216 WeakPolarHBondContact O-CD1 3.44Å; K179-L216 HydrophobicContact CB-CD1 4.35Å; L195-L216 HydrophobicContact CD2-CD2 3.85Å; V199-L216 HydrophobicContact CG2-CD1 3.66Å; V199-L216 HydrophobicContact CG2-CD2 4.04Å; V199-L216 HydrophobicContact CG2-CG 4.04Å; D214-L216 PolarHBondContact O-N 3.4Å; D214-L216 VanDerWaalsContact O-N 3.14Å
217S72.7Confident83.3Confident88 Ų8843.8 Ų43.862%0.61525%0.251SS*.THydrogen-bonded Turntrans-111.2-27.2-178-39.90000112.5D214D214-S217 PolarHBondContact O-N 3.36Å; D214-S217 WeakPolarHBondContact OD2-CB 3.46Å; D214-S217 PolarHBondContact OD2-OG 2.91Å
218N75.2Confident83.5Confident93 Ų9343.9 Ų43.950%0.49725%0.252SS..SBendtrans-121.4147.3-171.6-69-44.1000113.1D214D214-N218 WeakPolarHBondContact O-CB 3.19Å; D214-N218 PolarHBondContact O-N 3Å
219N76Confident83.9Confident174 Ų17443.9 Ų43.993%0.9325%0.252SS*.  trans-89.1110.4172.1-76.5-24.7000110.4
220S81.9Confident84Confident38 Ų3844.1 Ų44.127%0.26625%0.254SS..  trans-100.4144.7170.5-179.80000110.9F222 P223S220-F222 PolarHBondContact O-N 3.34Å; S220-F222 VanDerWaalsContact OG-CB 3.24Å; S220-F222 WeakPolarHBondContact OG-CB 3.41Å; S220-F222 PolarHBondContact OG-N 3.33Å; S220-F222 VanDerWaalsContact OG-N 3.16Å; S220-P223 VanDerWaalsContact O-CD 3.31Å; S220-P223 WeakPolarHBondContact O-CD 3.42Å
221P85.8Confident84.3Confident89 Ų8945.9 Ų45.958%0.57826%0.255SS*.SBendtrans-70.8-12169.630.4-35.6000112.9K224 A225 L261P221-K224 PolarHBondContact O-N 3.45Å; P221-A225 PolarHBondContact O-N 3.08Å; P221-L261 HydrophobicContact CB-CD2 3.94Å; P221-L261 HydrophobicContact CG-CD2 4.12Å
222F85.6Confident84.6Confident6 Ų644.2 Ų44.23%0.02624%0.244CC..Hα-helixtrans-66.1-48.4-170.7-158.6-98.3000114.5L201 L213 S220 K224 A225 I226 L262 T265 F313 F317L201-F222 HydrophobicContact CD1-CD1 4.22Å; L201-F222 HydrophobicContact CD1-CE1 4.18Å; L201-F222 HydrophobicContact CD2-CD1 4.1Å; L213-F222 HydrophobicContact CD1-CD1 4.37Å; S220-F222 PolarHBondContact O-N 3.34Å; S220-F222 VanDerWaalsContact OG-CB 3.24Å; S220-F222 WeakPolarHBondContact OG-CB 3.41Å; S220-F222 PolarHBondContact OG-N 3.33Å; S220-F222 VanDerWaalsContact OG-N 3.16Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 2.88Å; F222-A225 PolarHBondContact O-N 3.05Å; F222-I226 HydrophobicContact CD1-CD1 3.69Å; F222-I226 HydrophobicContact CE1-CD1 3.6Å; F222-I226 HydrophobicContact CE1-CG1 4.48Å; F222-I226 PolarHBondContact O-N 2.86Å; F222-I226 VanDerWaalsContact O-N 3.11Å; F222-L262 HydrophobicContact CD1-CD2 4.41Å; F222-L262 HydrophobicContact CD2-CD2 3.61Å; F222-L262 HydrophobicContact CE1-CD2 4.16Å; F222-L262 HydrophobicContact CE2-CD2 3.32Å; F222-L262 HydrophobicContact CG-CD2 4.15Å; F222-L262 HydrophobicContact CZ-CD2 3.63Å; F222-T265 HydrophobicContact CE2-CG2 4.12Å; F222-F313 HydrophobicContact CZ-CE1 4.45Å; F222-F317 HydrophobicContact CE1-CB 4.25Å; F222-F317 AromaticContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD1 3.46Å; F222-F317 VanDerWaalsContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD2 4.05Å; F222-F317 AromaticContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE2 4.22Å; F222-F317 AromaticContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CZ 4Å; F222-F317 HydrophobicContact CZ-CB 4.46Å; F222-F317 HydrophobicContact CZ-CD1 4.02Å; F222-F317 AromaticContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CE1 4.1Å; F222-F317 AromaticContact CZ-CE2 3.86Å; F222-F317 HydrophobicContact CZ-CE2 3.86Å; F222-F317 AromaticContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CZ 4.01Å
223P86.3Confident84.9Confident34 Ų3441.6 Ų41.622%0.22123%0.23CC..Hα-helixtrans-59.2-39176.4-17.628.1000112.1L201 L215 S220 I226 E227L201-P223 HydrophobicContact CD2-CB 4.05Å; L201-P223 HydrophobicContact CD2-CG 3.66Å; L215-P223 HydrophobicContact CD1-CG 4.07Å; L215-P223 HydrophobicContact CD2-CG 3.83Å; S220-P223 VanDerWaalsContact O-CD 3.31Å; S220-P223 WeakPolarHBondContact O-CD 3.42Å; P223-I226 PolarHBondContact O-N 3.32Å; P223-E227 PolarHBondContact O-N 3.49Å
224K88.1Confident85.2Confident104 Ų10440.7 Ų40.745%0.45223%0.226SC..Hα-helixtrans-66.7-41.1179.3-174.962.2-173.6176.20111.8P221 F222 I226 E227 T228P221-K224 PolarHBondContact O-N 3.45Å; F222-K224 VanDerWaalsContact C-N 3.26Å; F222-K224 PolarHBondContact O-N 2.88Å; K224-I226 VanDerWaalsContact C-N 3.32Å; K224-I226 PolarHBondContact O-N 3.24Å; K224-E227 IonicContact NZ-OE2 2.63Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 3.09Å; K224-T228 WeakPolarHBondContact O-CB 3.42Å; K224-T228 PolarHBondContact O-N 2.87Å; K224-T228 PolarHBondContact O-OG1 3.43Å
225A91.3Very high85.7Confident7 Ų743.4 Ų43.46%0.05823%0.234CC..Hα-helixtrans-62.6-38.3176.600000112.4P221 F222 C229 A258 L261 L262P221-A225 PolarHBondContact O-N 3.08Å; F222-A225 PolarHBondContact O-N 3.05Å; A225-C229 WeakPolarHBondContact O-CB 3.28Å; A225-C229 PolarHBondContact O-N 3.22Å; A225-C229 PolarHBondContact O-SG 2.7Å; A225-A258 HydrophobicContact CB-CB 3.89Å; A225-L261 HydrophobicContact CB-CD2 3.99Å; A225-L262 HydrophobicContact CB-CD1 4.49Å; A225-L262 HydrophobicContact CB-CD2 4.05Å; A225-L262 HydrophobicContact CB-CG 4.12Å
226I89.4Confident86.1Confident0 Ų043.9 Ų43.90%024%0.236CC..Hα-helixtrans-62.7-51.5174.1-70.2167.5000110.6L201 F222 P223 K224 T228 C229 L230 L262 F317 I318 E323L201-I226 HydrophobicContact CD1-CD1 4.17Å; L201-I226 HydrophobicContact CD2-CD1 4.45Å; F222-I226 HydrophobicContact CD1-CD1 3.69Å; F222-I226 HydrophobicContact CE1-CD1 3.6Å; F222-I226 HydrophobicContact CE1-CG1 4.48Å; F222-I226 PolarHBondContact O-N 2.86Å; F222-I226 VanDerWaalsContact O-N 3.11Å; P223-I226 PolarHBondContact O-N 3.32Å; K224-I226 VanDerWaalsContact C-N 3.32Å; K224-I226 PolarHBondContact O-N 3.24Å; I226-T228 VanDerWaalsContact C-N 3.33Å; I226-T228 PolarHBondContact O-N 3.45Å; I226-C229 PolarHBondContact O-N 3.2Å; I226-L230 HydrophobicContact CG2-CD1 3.85Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 2.96Å; I226-L262 HydrophobicContact CG1-CD1 4.26Å; I226-L262 HydrophobicContact CG1-CD2 3.97Å; I226-F317 HydrophobicContact CD1-CB 3.89Å; I226-F317 HydrophobicContact CD1-CD1 4.44Å; I226-F317 HydrophobicContact CD1-CG 4.49Å; I226-I318 HydrophobicContact CB-CD1 4.28Å; I226-I318 HydrophobicContact CG1-CD1 4.11Å; I226-I318 HydrophobicContact CG2-CD1 3.92Å; I226-E323 HydrophobicContact CG2-CG 4.18Å
227E87.9Confident86.6Confident38 Ų3843.1 Ų43.118%0.17823%0.233CC..Hα-helixtrans-58.1-45.3179.2-167.2-158.4-178.600111.7P223 K224 C229 L230 K231 R495P223-E227 PolarHBondContact O-N 3.49Å; K224-E227 IonicContact NZ-OE2 2.63Å; K224-E227 PolarHBondContact NZ-OE2 3.47Å; K224-E227 PolarHBondContact O-N 3.09Å; E227-C229 PolarHBondContact O-N 2.89Å; E227-L230 PolarHBondContact O-N 2.8Å; E227-K231 HydrophobicContact CG-CD 4.44Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.63Å; E227-K231 PolarHBondContact OE1-NZ 2.98Å; E227-K231 IonicContact OE2-NZ 3.56Å; E227-R495 IonicContact OE1-NH1 2.72Å; E227-R495 IonicContact OE1-NH2 2.7Å
228T91.8Very high87.3Confident4 Ų440.6 Ų40.63%0.02521%0.21CC..Hα-helixtrans-62.8-42.3178.4-67.80000111.1K224 I226 G232 F251 E254 V255 A258K224-T228 WeakPolarHBondContact O-CB 3.42Å; K224-T228 PolarHBondContact O-N 2.87Å; K224-T228 PolarHBondContact O-OG1 3.43Å; I226-T228 VanDerWaalsContact C-N 3.33Å; I226-T228 PolarHBondContact O-N 3.45Å; T228-G232 PolarHBondContact O-N 3.08Å; T228-F251 HydrophobicContact CG2-CE2 4.44Å; T228-E254 HydrophobicContact CG2-CG 4.05Å; T228-E254 PolarHBondContact OG1-OE1 3.24Å; T228-E254 VanDerWaalsContact OG1-OE1 3.11Å; T228-V255 HydrophobicContact CG2-CB 4.39Å; T228-V255 HydrophobicContact CG2-CG2 3.7Å; T228-A258 HydrophobicContact CG2-CB 4.25Å
229C92.3Very high87.9Confident0 Ų037 Ų370%019%0.191CC..Hα-helixtrans-64-42.4175.9-710000112.8L127 F132 A225 I226 E227 G232 I233 I318L127-C229 HydrophobicContact CD2-CB 4.01Å; L127-C229 WeakPolarHBondContact CD2-O 3.3Å; F132-C229 HydrophobicContact CE1-CB 4.22Å; F132-C229 HydrophobicContact CE2-CB 3.66Å; F132-C229 VanDerWaalsContact CE2-SG 3.53Å; F132-C229 HydrophobicContact CZ-CB 3.38Å; A225-C229 WeakPolarHBondContact O-CB 3.28Å; A225-C229 PolarHBondContact O-N 3.22Å; A225-C229 PolarHBondContact O-SG 2.7Å; I226-C229 PolarHBondContact O-N 3.2Å; E227-C229 PolarHBondContact O-N 2.89Å; C229-G232 CarbonylContact O-C 3.56Å; C229-G232 WeakPolarHBondContact O-CA 3.23Å; C229-G232 PolarHBondContact O-N 3.28Å; C229-G232 VanDerWaalsContact O-N 3.09Å; C229-I233 PolarHBondContact O-N 3.17Å; C229-I318 HydrophobicContact CB-CD1 4.46Å
230L88.8Confident88.3Confident11 Ų1129.5 Ų29.56%0.05815%0.152CC..Hα-helixtrans-62.8-45.1178.3-75.1165.2000112.1I226 E227 G232 I233 V234 I318 E323I226-L230 HydrophobicContact CG2-CD1 3.85Å; I226-L230 WeakPolarHBondContact O-CG 3.44Å; I226-L230 PolarHBondContact O-N 2.96Å; E227-L230 PolarHBondContact O-N 2.8Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 2.81Å; L230-I233 HydrophobicContact CD2-CD1 4.28Å; L230-I233 WeakPolarHBondContact O-CB 3.49Å; L230-I233 PolarHBondContact O-N 3.43Å; L230-I233 VanDerWaalsContact O-N 3.11Å; L230-V234 PolarHBondContact O-N 2.93Å; L230-V234 VanDerWaalsContact O-N 3.13Å; L230-I318 HydrophobicContact CD2-CG2 3.85Å; L230-E323 HydrophobicContact CD1-CB 4.15Å; L230-E323 HydrophobicContact CD1-CG 3.4Å
231K89.4Confident88.6Confident60 Ų6031.3 Ų31.326%0.26116%0.158SC..Hα-helixtrans-57.2-42.2170.4-74.5171.3170.2169.10111.3E227 I233 V234 Y235 F251E227-K231 HydrophobicContact CG-CD 4.44Å; E227-K231 WeakPolarHBondContact O-CG 3.46Å; E227-K231 PolarHBondContact O-N 3.18Å; E227-K231 WeakPolarHBondContact OE1-CE 3.38Å; E227-K231 IonicContact OE1-NZ 3.63Å; E227-K231 PolarHBondContact OE1-NZ 2.98Å; E227-K231 IonicContact OE2-NZ 3.56Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3Å; K231-V234 PolarHBondContact O-N 2.96Å; K231-Y235 WeakPolarHBondContact O-CD2 3.27Å; K231-Y235 PolarHBondContact O-N 2.86Å; K231-Y235 VanDerWaalsContact O-N 3.11Å; K231-F251 HydrophobicContact CB-CZ 4.01Å
232G91.8Very high88.8Confident0 Ų027.7 Ų27.70%013%0.133CC..Hα-helixtrans-55.7-44.6173.800000113.1T228 C229 L230 Y235 Q236T228-G232 PolarHBondContact O-N 3.08Å; C229-G232 CarbonylContact O-C 3.56Å; C229-G232 WeakPolarHBondContact O-CA 3.23Å; C229-G232 PolarHBondContact O-N 3.28Å; C229-G232 VanDerWaalsContact O-N 3.09Å; L230-G232 VanDerWaalsContact C-N 3.26Å; L230-G232 PolarHBondContact O-N 2.81Å; G232-Y235 PolarHBondContact O-N 3.23Å; G232-Q236 WeakPolarHBondContact O-CB 3.38Å; G232-Q236 PolarHBondContact O-N 2.88Å
233I89.5Confident89Confident16 Ų1631.5 Ų31.58%0.08215%0.151CC..Hα-helixtrans-60.5-48.8178.1-68.3165000110.1M124 L127 F132 C229 L230 K231 Y235 Q236 V237 I318M124-I233 HydrophobicContact CG-CG2 4.07Å; L127-I233 HydrophobicContact CD1-CB 4.49Å; L127-I233 HydrophobicContact CD1-CG1 3.89Å; L127-I233 HydrophobicContact CD2-CG1 4.41Å; F132-I233 HydrophobicContact CD1-CD1 4.42Å; F132-I233 HydrophobicContact CE1-CD1 3.69Å; F132-I233 HydrophobicContact CE1-CG1 4.28Å; C229-I233 PolarHBondContact O-N 3.17Å; L230-I233 HydrophobicContact CD2-CD1 4.28Å; L230-I233 WeakPolarHBondContact O-CB 3.49Å; L230-I233 PolarHBondContact O-N 3.43Å; L230-I233 VanDerWaalsContact O-N 3.11Å; K231-I233 VanDerWaalsContact C-N 3.34Å; K231-I233 PolarHBondContact O-N 3Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 2.86Å; I233-Q236 PolarHBondContact O-N 2.81Å; I233-V237 HydrophobicContact CG2-CG2 4.07Å; I233-V237 WeakPolarHBondContact O-CB 3.35Å; I233-V237 VanDerWaalsContact O-CG2 3.24Å; I233-V237 WeakPolarHBondContact O-CG2 3.33Å; I233-V237 PolarHBondContact O-N 3.46Å; I233-I318 HydrophobicContact CD1-CG2 4.4Å
234V88.3Confident89.3Confident10 Ų1036.5 Ų36.56%0.06117%0.169CC..Hα-helixtrans-56-49.5-179.8177.10000110.9M66 L230 K231 V237 R238M66-V234 HydrophobicContact CE-CG1 3.54Å; M66-V234 HydrophobicContact SD-CG1 4.29Å; L230-V234 PolarHBondContact O-N 2.93Å; L230-V234 VanDerWaalsContact O-N 3.13Å; K231-V234 PolarHBondContact O-N 2.96Å; V234-V237 PolarHBondContact O-N 2.99Å; V234-R238 WeakPolarHBondContact O-CB 2.92Å; V234-R238 WeakPolarHBondContact O-CG 3.25Å; V234-R238 PolarHBondContact O-N 3.29Å
235Y91Very high89.4Confident91 Ų9134.4 Ų34.436%0.35716%0.16SC..Hα-helixtrans-64.7-43.8179.8-73.8-57.8000112.6M66 K231 G232 I233 V237 D239 F242 F251M66-Y235 HydrophobicContact CE-CD1 3.87Å; M66-Y235 HydrophobicContact CE-CE1 3.94Å; K231-Y235 WeakPolarHBondContact O-CD2 3.27Å; K231-Y235 PolarHBondContact O-N 2.86Å; K231-Y235 VanDerWaalsContact O-N 3.11Å; G232-Y235 PolarHBondContact O-N 3.23Å; I233-Y235 VanDerWaalsContact C-N 3.33Å; I233-Y235 PolarHBondContact O-N 2.86Å; Y235-V237 VanDerWaalsContact C-N 3.33Å; Y235-V237 PolarHBondContact O-N 3.3Å; Y235-D239 WeakPolarHBondContact O-CA 3.37Å; Y235-D239 PolarHBondContact O-N 3.49Å; Y235-F242 AromaticContact CD1-CD2 3.68Å; Y235-F242 HydrophobicContact CD1-CD2 3.68Å; Y235-F242 AromaticContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CZ 4.13Å; Y235-F242 HydrophobicContact CD2-CE2 4.03Å; Y235-F242 AromaticContact CD2-CZ 3.93Å; Y235-F242 HydrophobicContact CD2-CZ 3.93Å; Y235-F242 AromaticContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE2-CE2 4.48Å; Y235-F242 HydrophobicContact CE2-CZ 4.48Å; Y235-F242 AromaticContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CE1 4.35Å; Y235-F242 AromaticContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CE2 3.46Å; Y235-F242 VanDerWaalsContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CG 4.45Å; Y235-F242 AromaticContact CG-CZ 3.74Å; Y235-F242 HydrophobicContact CG-CZ 3.74Å; Y235-F251 AromaticContact CD2-CE1 3.6Å; Y235-F251 HydrophobicContact CD2-CE1 3.6Å; Y235-F251 AromaticContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CE2-CE1 4.06Å; Y235-F251 HydrophobicContact CE2-CZ 4.07Å
236Q90Very high89.5Confident27 Ų2738.3 Ų38.313%0.12619%0.185CC..Hα-helixtrans-66.6-34.4-179.4-173.8172.9-2300112.9R123 N126 L127 F128 G232 I233R123-Q236 HydrophobicContact CB-CG 4.23Å; R123-Q236 VanDerWaalsContact CD-O 3.3Å; R123-Q236 WeakPolarHBondContact CD-O 3.3Å; R123-Q236 HydrophobicContact CG-CG 4.21Å; R123-Q236 PolarHBondContact NE-O 3.15Å; R123-Q236 PolarHBondContact O-NE2 2.87Å; N126-Q236 PolarHBondContact O-NE2 3.39Å; L127-Q236 VanDerWaalsContact CA-OE1 3.31Å; L127-Q236 HydrophobicContact CD1-CB 4.45Å; F128-Q236 HydrophobicContact CE1-CB 3.9Å; F128-Q236 HydrophobicContact CE1-CG 4.26Å; F128-Q236 HydrophobicContact CZ-CB 4.02Å; G232-Q236 WeakPolarHBondContact O-CB 3.38Å; G232-Q236 PolarHBondContact O-N 2.88Å; I233-Q236 PolarHBondContact O-N 2.81Å
237V85.9Confident89.7Confident16 Ų1646.1 Ų46.110%0.09722%0.219CC..Hα-helixtrans-78.5-44.6-179.9171.30000111.5L120 R123 I233 V234 Y235L120-V237 HydrophobicContact CD1-CB 4.21Å; L120-V237 HydrophobicContact CD1-CG1 3.46Å; L120-V237 VanDerWaalsContact CD1-CG1 3.46Å; L120-V237 HydrophobicContact CD1-CG2 3.63Å; R123-V237 HydrophobicContact CB-CG2 4.11Å; I233-V237 HydrophobicContact CG2-CG2 4.07Å; I233-V237 WeakPolarHBondContact O-CB 3.35Å; I233-V237 VanDerWaalsContact O-CG2 3.24Å; I233-V237 WeakPolarHBondContact O-CG2 3.33Å; I233-V237 PolarHBondContact O-N 3.46Å; V234-V237 PolarHBondContact O-N 2.99Å; Y235-V237 VanDerWaalsContact C-N 3.33Å; Y235-V237 PolarHBondContact O-N 3.3Å
238R86.3Confident90.1Very high34 Ų3445.5 Ų45.513%0.12822%0.217CC..Hα-helixtrans-98.5-28.2-167.6-59.8179.9-177.9170.6-5.4114.5M66 H73 V234 D490M66-R238 HydrophobicContact CE-CB 4.39Å; M66-R238 HydrophobicContact SD-CB 3.47Å; M66-R238 WeakPolarHBondContact SD-CB 3.49Å; M66-R238 VanDerWaalsContact SD-CD 3.52Å; M66-R238 HydrophobicContact SD-CG 4.15Å; H73-R238 PolarHBondContact NE2-NH2 3.21Å; V234-R238 WeakPolarHBondContact O-CB 2.92Å; V234-R238 WeakPolarHBondContact O-CG 3.25Å; V234-R238 PolarHBondContact O-N 3.29Å; R238-D490 IonicContact CZ-OD1 2.82Å; R238-D490 IonicContact CZ-OD2 3.98Å; R238-D490 IonicContact NH1-OD1 3.81Å; R238-D490 PolarHBondContact NH1-OD1 3.41Å; R238-D490 IonicContact NH1-OD2 3.26Å; R238-D490 PolarHBondContact NH1-OD2 3.25Å; R238-D490 IonicContact NH2-OD1 2.67Å; R238-D490 PolarHBondContact NH2-OD1 3.43Å; R238-D490 IonicContact NH2-OD2 2.79Å; R238-D490 PolarHBondContact NH2-OD2 2.98Å
239D88.4Confident90.2Very high19 Ų1952.8 Ų52.810%0.10224%0.244CC..  trans-107.591.8171.6-177.6-0.7000109.7V63 Y235 L241 F242 K245V63-D239 HydrophobicContact CG2-CB 3.75Å; Y235-D239 WeakPolarHBondContact O-CA 3.37Å; Y235-D239 PolarHBondContact O-N 3.49Å; D239-L241 PolarHBondContact O-N 3.48Å; D239-L241 PolarHBondContact OD1-N 2.99Å; D239-F242 HydrophobicContact CB-CB 3.9Å; D239-F242 HydrophobicContact CB-CD2 4.33Å; D239-F242 VanDerWaalsContact O-CB 3.23Å; D239-F242 WeakPolarHBondContact O-CB 3.39Å; D239-F242 PolarHBondContact O-N 3.26Å; D239-F242 PolarHBondContact OD1-N 2.81Å; D239-K245 IonicContact OD1-NZ 2.65Å; D239-K245 PolarHBondContact OD1-NZ 2.63Å; D239-K245 IonicContact OD2-NZ 2.72Å; D239-K245 PolarHBondContact OD2-NZ 3.28Å
240S83.6Confident90.4Very high16 Ų1657.3 Ų57.311%0.11227%0.274CS..THydrogen-bonded Turntrans-59.6-17.1-179-48.30000114
241L88.6Confident90.7Very high75 Ų7559 Ų5939%0.39328%0.281SS..THydrogen-bonded Turntrans-103.43.8179.2-60.9-180000113.1L56 D239 Q243 F244L56-L241 HydrophobicContact CD1-CD1 4.05Å; L56-L241 HydrophobicContact CD2-CD1 4.41Å; L56-L241 HydrophobicContact CD2-CG 4.42Å; D239-L241 PolarHBondContact O-N 3.48Å; D239-L241 PolarHBondContact OD1-N 2.99Å; L241-Q243 PolarHBondContact O-N 3.47Å; L241-F244 HydrophobicContact CD2-CD2 4.29Å; L241-F244 PolarHBondContact O-N 2.9Å
242F90.4Very high91Very high13 Ų1356.4 Ų56.46%0.05727%0.27CS..G310 helixtrans-58.1-46.8-171.6-169.6-91.8000112.9F128 Y235 D239 F244 K245 N248 F251 I252F128-F242 AromaticContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CD1 3.77Å; F128-F242 HydrophobicContact CE1-CE1 4.32Å; F128-F242 AromaticContact CZ-CD1 3.71Å; F128-F242 HydrophobicContact CZ-CD1 3.71Å; F128-F242 AromaticContact CZ-CE1 3.87Å; F128-F242 HydrophobicContact CZ-CE1 3.87Å; Y235-F242 AromaticContact CD1-CD2 3.68Å; Y235-F242 HydrophobicContact CD1-CD2 3.68Å; Y235-F242 AromaticContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CE2 3.38Å; Y235-F242 HydrophobicContact CD1-CZ 4.13Å; Y235-F242 HydrophobicContact CD2-CE2 4.03Å; Y235-F242 AromaticContact CD2-CZ 3.93Å; Y235-F242 HydrophobicContact CD2-CZ 3.93Å; Y235-F242 AromaticContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE1-CE2 3.92Å; Y235-F242 HydrophobicContact CE2-CE2 4.48Å; Y235-F242 HydrophobicContact CE2-CZ 4.48Å; Y235-F242 AromaticContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CD2 3.85Å; Y235-F242 HydrophobicContact CG-CE1 4.35Å; Y235-F242 AromaticContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CE2 3.46Å; Y235-F242 VanDerWaalsContact CG-CE2 3.46Å; Y235-F242 HydrophobicContact CG-CG 4.45Å; Y235-F242 AromaticContact CG-CZ 3.74Å; Y235-F242 HydrophobicContact CG-CZ 3.74Å; D239-F242 HydrophobicContact CB-CB 3.9Å; D239-F242 HydrophobicContact CB-CD2 4.33Å; D239-F242 VanDerWaalsContact O-CB 3.23Å; D239-F242 WeakPolarHBondContact O-CB 3.39Å; D239-F242 PolarHBondContact O-N 3.26Å; D239-F242 PolarHBondContact OD1-N 2.81Å; F242-F244 VanDerWaalsContact C-N 3.27Å; F242-F244 PolarHBondContact O-N 2.87Å; F242-K245 PolarHBondContact O-N 3.44Å; F242-N248 HydrophobicContact CD1-CB 4.2Å; F242-N248 VanDerWaalsContact CD2-ND2 3.26Å; F242-N248 WeakPolarHBondContact CD2-ND2 3.48Å; F242-N248 HydrophobicContact CE1-CB 3.8Å; F242-N248 HydrophobicContact CE2-CB 4.4Å; F242-N248 WeakPolarHBondContact CE2-ND2 3.41Å; F242-N248 WeakPolarHBondContact CG-ND2 3.41Å; F242-N248 HydrophobicContact CZ-CB 3.91Å; F242-N248 PolarHBondContact O-ND2 3.35Å; F242-F251 AromaticContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CE1 4.13Å; F242-F251 AromaticContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CE1 4.01Å; F242-I252 HydrophobicContact CD1-CD1 4.27Å; F242-I252 HydrophobicContact CD1-CG1 4.35Å; F242-I252 HydrophobicContact CE1-CD1 4.3Å; F242-I252 HydrophobicContact CE1-CG1 4Å
243Q90.8Very high91.3Very high87 Ų8759.3 Ų59.341%0.40729%0.285SS..G310 helixtrans-69.9-21.9-176.266.9-178.4-11.100114.3F128 L241 W249 I252F128-Q243 HydrophobicContact CD1-CB 4.16Å; F128-Q243 HydrophobicContact CE1-CB 4.37Å; L241-Q243 PolarHBondContact O-N 3.47Å; Q243-W249 PolarHBondContact O-NE1 2.8Å; Q243-I252 HydrophobicContact CB-CD1 4.19Å
244F90.6Very high91.6Very high138 Ų13862.6 Ų62.661%0.60530%0.3SS*.G310 helixtrans-88.2-5.1-177-56-65.3000113L241 F242 P246L241-F244 HydrophobicContact CD2-CD2 4.29Å; L241-F244 PolarHBondContact O-N 2.9Å; F242-F244 VanDerWaalsContact C-N 3.27Å; F242-F244 PolarHBondContact O-N 2.87Å; F244-P246 WeakPolarHBondContact O-CD 3.22Å
245K91.4Very high92Very high60 Ų6062.1 Ų62.126%0.26130%0.297SS..  trans-91.6114.9178.8-66166.8-168.4164.50109.3D239 F242 K247 N248D239-K245 IonicContact OD1-NZ 2.65Å; D239-K245 PolarHBondContact OD1-NZ 2.63Å; D239-K245 IonicContact OD2-NZ 2.72Å; D239-K245 PolarHBondContact OD2-NZ 3.28Å; F242-K245 PolarHBondContact O-N 3.44Å; K245-K247 HydrophobicContact CB-CG 4.21Å; K245-K247 PolarHBondContact O-N 3.48Å; K245-K247 VanDerWaalsContact O-N 3.14Å; K245-N248 WeakPolarHBondContact O-CB 3.39Å; K245-N248 PolarHBondContact O-N 3.18Å
246P93.3Very high92.2Very high89 Ų8962 Ų6258%0.57830%0.296SS*.G310 helixtrans-55.8-35.2-176.8-28.636.2000114.2F244 N248 W249F244-P246 WeakPolarHBondContact O-CD 3.22Å; P246-N248 PolarHBondContact O-N 2.96Å; P246-W249 VanDerWaalsContact O-CB 3.3Å; P246-W249 WeakPolarHBondContact O-CB 3.45Å; P246-W249 PolarHBondContact O-N 3.21Å
247K94.4Very high92.5Very high165 Ų16566.4 Ų66.472%0.71732%0.315SS*.G310 helixtrans-58-21.917665.7171.5-171.31740114.8K245K245-K247 HydrophobicContact CB-CG 4.21Å; K245-K247 PolarHBondContact O-N 3.48Å; K245-K247 VanDerWaalsContact O-N 3.14Å
248N94.9Very high92.9Very high24 Ų2466 Ų6613%0.12831%0.313CS..G310 helixtrans-91.3-9.5-179.2-65.6-13.3000112.3F242 K245 P246 P250 F251 I252F242-N248 HydrophobicContact CD1-CB 4.2Å; F242-N248 VanDerWaalsContact CD2-ND2 3.26Å; F242-N248 WeakPolarHBondContact CD2-ND2 3.48Å; F242-N248 HydrophobicContact CE1-CB 3.8Å; F242-N248 HydrophobicContact CE2-CB 4.4Å; F242-N248 WeakPolarHBondContact CE2-ND2 3.41Å; F242-N248 WeakPolarHBondContact CG-ND2 3.41Å; F242-N248 HydrophobicContact CZ-CB 3.91Å; F242-N248 PolarHBondContact O-ND2 3.35Å; K245-N248 WeakPolarHBondContact O-CB 3.39Å; K245-N248 PolarHBondContact O-N 3.18Å; P246-N248 PolarHBondContact O-N 2.96Å; N248-P250 VanDerWaalsContact C-CD 3.5Å; N248-F251 PolarHBondContact O-N 3.28Å; N248-I252 HydrophobicContact CB-CD1 4.25Å; N248-I252 WeakPolarHBondContact O-CG1 3.44Å; N248-I252 PolarHBondContact O-N 3.18Å
249W94.3Very high93.3Very high157 Ų15764.4 Ų64.460%0.59531%0.307SS*.Hα-helixtrans-59.9-37.6-176.2-68.73.3000114.5Q243 P246 F251 I252 D253Q243-W249 PolarHBondContact O-NE1 2.8Å; P246-W249 VanDerWaalsContact O-CB 3.3Å; P246-W249 WeakPolarHBondContact O-CB 3.45Å; P246-W249 PolarHBondContact O-N 3.21Å; W249-F251 PolarHBondContact O-N 2.93Å; W249-I252 PolarHBondContact O-N 3.3Å; W249-D253 PolarHBondContact O-N 3.36Å
250P96.8Very high93.7Very high96 Ų9668.5 Ų68.562%0.62332%0.321SS*.Hα-helixtrans-59.8-45.2174.7-25.635.8000112.7N248 D253 E254N248-P250 VanDerWaalsContact C-CD 3.5Å; P250-D253 PolarHBondContact O-N 3.13Å; P250-E254 PolarHBondContact O-N 3.28Å
251F95.8Very high94.2Very high47 Ų4770.6 Ų70.621%0.20633%0.331CS..Hα-helixtrans-65.7-39.1176.1175-100.8000111.7T228 K231 Y235 F242 N248 W249 D253 E254 V255T228-F251 HydrophobicContact CG2-CE2 4.44Å; K231-F251 HydrophobicContact CB-CZ 4.01Å; Y235-F251 AromaticContact CD2-CE1 3.6Å; Y235-F251 HydrophobicContact CD2-CE1 3.6Å; Y235-F251 AromaticContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CD2-CZ 3.93Å; Y235-F251 HydrophobicContact CE2-CE1 4.06Å; Y235-F251 HydrophobicContact CE2-CZ 4.07Å; F242-F251 AromaticContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CD1 3.74Å; F242-F251 HydrophobicContact CE1-CE1 4.13Å; F242-F251 AromaticContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CD1 3.64Å; F242-F251 HydrophobicContact CZ-CE1 4.01Å; N248-F251 PolarHBondContact O-N 3.28Å; W249-F251 PolarHBondContact O-N 2.93Å; F251-D253 VanDerWaalsContact C-N 3.32Å; F251-D253 PolarHBondContact O-N 3.39Å; F251-E254 WeakPolarHBondContact O-CB 3.13Å; F251-E254 PolarHBondContact O-N 3.11Å; F251-V255 HydrophobicContact CD1-CG2 4.17Å; F251-V255 HydrophobicContact CE1-CG2 3.69Å; F251-V255 HydrophobicContact CE2-CG2 4.09Å; F251-V255 HydrophobicContact CZ-CG2 3.64Å; F251-V255 VanDerWaalsContact O-CG2 3.31Å; F251-V255 WeakPolarHBondContact O-CG2 3.32Å; F251-V255 PolarHBondContact O-N 3.04Å
252I95.8Very high94.4Very high5 Ų567.1 Ų67.13%0.02631%0.312CS..Hα-helixtrans-61.3-43.1175-69.3165.1000110.7F128 F242 Q243 N248 W249 E254 V255 R256F128-I252 HydrophobicContact CB-CG2 3.61Å; F128-I252 HydrophobicContact CD1-CD1 4.34Å; F128-I252 HydrophobicContact CD1-CG1 4.08Å; F128-I252 HydrophobicContact CD1-CG2 4.36Å; F128-I252 HydrophobicContact CD2-CB 4.47Å; F128-I252 HydrophobicContact CD2-CG1 4.17Å; F128-I252 HydrophobicContact CD2-CG2 4.16Å; F128-I252 HydrophobicContact CE1-CD1 4.44Å; F128-I252 HydrophobicContact CE1-CG1 4.15Å; F128-I252 HydrophobicContact CE2-CG1 4.23Å; F128-I252 HydrophobicContact CG-CB 4.44Å; F128-I252 HydrophobicContact CG-CG1 4.1Å; F128-I252 HydrophobicContact CG-CG2 3.8Å; F128-I252 HydrophobicContact CZ-CG1 4.22Å; F242-I252 HydrophobicContact CD1-CD1 4.27Å; F242-I252 HydrophobicContact CD1-CG1 4.35Å; F242-I252 HydrophobicContact CE1-CD1 4.3Å; F242-I252 HydrophobicContact CE1-CG1 4Å; Q243-I252 HydrophobicContact CB-CD1 4.19Å; N248-I252 HydrophobicContact CB-CD1 4.25Å; N248-I252 WeakPolarHBondContact O-CG1 3.44Å; N248-I252 PolarHBondContact O-N 3.18Å; W249-I252 PolarHBondContact O-N 3.3Å; I252-E254 VanDerWaalsContact C-N 3.35Å; I252-V255 PolarHBondContact O-N 3.11Å; I252-R256 HydrophobicContact CG2-CG 4.44Å; I252-R256 VanDerWaalsContact O-CG 3.25Å; I252-R256 WeakPolarHBondContact O-CG 3.46Å; I252-R256 PolarHBondContact O-N 3.13Å
253D96.4Very high94.5Very high60 Ų6067.9 Ų67.932%0.32132%0.315SS..Hα-helixtrans-63.9-39.7176.2-175.159.6000112.2W249 P250 F251 V255 R256 K257W249-D253 PolarHBondContact O-N 3.36Å; P250-D253 PolarHBondContact O-N 3.13Å; F251-D253 VanDerWaalsContact C-N 3.32Å; F251-D253 PolarHBondContact O-N 3.39Å; D253-V255 PolarHBondContact O-N 3.35Å; D253-R256 PolarHBondContact O-N 3.01Å; D253-K257 WeakPolarHBondContact O-CG 3.42Å; D253-K257 PolarHBondContact O-N 3.11Å; D253-K257 WeakPolarHBondContact OD2-CE 3.42Å; D253-K257 IonicContact OD2-NZ 3.67Å; D253-K257 PolarHBondContact OD2-NZ 3.46Å
254E96.6Very high94.6Very high85 Ų8568.3 Ų68.340%0.39732%0.324SS..Hα-helixtrans-57.9-47.3172.3-165.7-164.5150.600111.5T228 P250 F251 I252 R256 K257 A258T228-E254 HydrophobicContact CG2-CG 4.05Å; T228-E254 PolarHBondContact OG1-OE1 3.24Å; T228-E254 VanDerWaalsContact OG1-OE1 3.11Å; P250-E254 PolarHBondContact O-N 3.28Å; F251-E254 WeakPolarHBondContact O-CB 3.13Å; F251-E254 PolarHBondContact O-N 3.11Å; I252-E254 VanDerWaalsContact C-N 3.35Å; E254-R256 VanDerWaalsContact C-N 3.34Å; E254-R256 PolarHBondContact O-N 3.09Å; E254-K257 WeakPolarHBondContact O-CB 3.49Å; E254-K257 PolarHBondContact O-N 2.95Å; E254-A258 WeakPolarHBondContact O-CB 3.5Å; E254-A258 PolarHBondContact O-N 3.43Å
255V95.8Very high94.7Very high0 Ų063.1 Ų63.10%030%0.303CS..Hα-helixtrans-60.8-43.1176174.30000111.2L127 F128 T228 F251 I252 D253 K257 A258 C259L127-V255 HydrophobicContact CD2-CG1 3.29Å; L127-V255 HydrophobicContact CG-CG1 3.59Å; F128-V255 HydrophobicContact CD2-CB 4.03Å; F128-V255 HydrophobicContact CD2-CG1 3.74Å; F128-V255 HydrophobicContact CD2-CG2 4.46Å; F128-V255 HydrophobicContact CE2-CB 4.27Å; F128-V255 HydrophobicContact CE2-CG1 4.06Å; F128-V255 HydrophobicContact CE2-CG2 4.19Å; T228-V255 HydrophobicContact CG2-CB 4.39Å; T228-V255 HydrophobicContact CG2-CG2 3.7Å; F251-V255 HydrophobicContact CD1-CG2 4.17Å; F251-V255 HydrophobicContact CE1-CG2 3.69Å; F251-V255 HydrophobicContact CE2-CG2 4.09Å; F251-V255 HydrophobicContact CZ-CG2 3.64Å; F251-V255 VanDerWaalsContact O-CG2 3.31Å; F251-V255 WeakPolarHBondContact O-CG2 3.32Å; F251-V255 PolarHBondContact O-N 3.04Å; I252-V255 PolarHBondContact O-N 3.11Å; D253-V255 PolarHBondContact O-N 3.35Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-K257 PolarHBondContact O-N 2.96Å; V255-A258 WeakPolarHBondContact O-CB 3.33Å; V255-A258 PolarHBondContact O-N 3.5Å; V255-C259 PolarHBondContact O-N 3.18Å; V255-C259 PolarHBondContact O-SG 3.18Å
256R96.3Very high94.7Very high90 Ų9060.3 Ų60.334%0.3429%0.291SS..Hα-helixtrans-63.1-40.2177.2-69.1-178.8175.6156.5-1.8112.1F128 Q130 I252 D253 E254 C259 R260F128-R256 VanDerWaalsContact O-CZ 3.29Å; F128-R256 PolarHBondContact O-NE 3.37Å; F128-R256 PolarHBondContact O-NH2 3.36Å; Q130-R256 HydrophobicContact CG-CB 3.72Å; Q130-R256 HydrophobicContact CG-CG 3.47Å; Q130-R256 VanDerWaalsContact CG-CG 3.47Å; I252-R256 HydrophobicContact CG2-CG 4.44Å; I252-R256 VanDerWaalsContact O-CG 3.25Å; I252-R256 WeakPolarHBondContact O-CG 3.46Å; I252-R256 PolarHBondContact O-N 3.13Å; D253-R256 PolarHBondContact O-N 3.01Å; E254-R256 VanDerWaalsContact C-N 3.34Å; E254-R256 PolarHBondContact O-N 3.09Å; R256-C259 PolarHBondContact O-N 3.35Å; R256-R260 WeakPolarHBondContact O-CG 3.43Å; R256-R260 PolarHBondContact O-N 3.05Å
257K96.4Very high94.6Very high119 Ų11957.4 Ų57.452%0.51728%0.275SS..Hα-helixtrans-63.5-43.2174-74.7167.2172.2159.60111.2D253 E254 V255 R260 L261D253-K257 WeakPolarHBondContact O-CG 3.42Å; D253-K257 PolarHBondContact O-N 3.11Å; D253-K257 WeakPolarHBondContact OD2-CE 3.42Å; D253-K257 IonicContact OD2-NZ 3.67Å; D253-K257 PolarHBondContact OD2-NZ 3.46Å; E254-K257 WeakPolarHBondContact O-CB 3.49Å; E254-K257 PolarHBondContact O-N 2.95Å; V255-K257 VanDerWaalsContact C-N 3.34Å; V255-K257 PolarHBondContact O-N 2.96Å; K257-R260 PolarHBondContact O-N 2.92Å; K257-L261 PolarHBondContact O-N 3.42Å
258A95Very high94.4Very high8 Ų853 Ų537%0.06626%0.257CS..Hα-helixtrans-61-45.5175.300000112A225 T228 E254 V255 R260 L261 L262A225-A258 HydrophobicContact CB-CB 3.89Å; T228-A258 HydrophobicContact CG2-CB 4.25Å; E254-A258 WeakPolarHBondContact O-CB 3.5Å; E254-A258 PolarHBondContact O-N 3.43Å; V255-A258 WeakPolarHBondContact O-CB 3.33Å; V255-A258 PolarHBondContact O-N 3.5Å; A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.17Å; A258-L261 PolarHBondContact O-N 3.19Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.16Å
259C94.6Very high94.2Very high0 Ų054 Ų540%026%0.259CS..Hα-helixtrans-57.8-45.3174.5-650000112Q130 F132 V255 R256 L262 R263Q130-C259 HydrophobicContact CB-CB 4.36Å; F132-C259 HydrophobicContact CD2-CB 4.19Å; F132-C259 VanDerWaalsContact CD2-SG 3.54Å; V255-C259 PolarHBondContact O-N 3.18Å; V255-C259 PolarHBondContact O-SG 3.18Å; R256-C259 PolarHBondContact O-N 3.35Å; C259-L262 PolarHBondContact O-N 3.3Å; C259-R263 WeakPolarHBondContact O-CB 3.42Å; C259-R263 WeakPolarHBondContact O-CG 3.08Å; C259-R263 PolarHBondContact O-N 3.11Å; C259-R263 VanDerWaalsContact O-N 3.1Å
260R95.2Very high93.9Very high104 Ų10447.4 Ų47.439%0.39224%0.235SC..Hα-helixtrans-62.5-44.8178-75.2-172.5-68.7-100.85.2111.6R256 K257 A258 L262 R263 T264R256-R260 WeakPolarHBondContact O-CG 3.43Å; R256-R260 PolarHBondContact O-N 3.05Å; K257-R260 PolarHBondContact O-N 2.92Å; A258-R260 VanDerWaalsContact C-N 3.33Å; A258-R260 PolarHBondContact O-N 3.17Å; R260-L262 PolarHBondContact O-N 3.42Å; R260-R263 PolarHBondContact O-N 3.09Å; R260-T264 WeakPolarHBondContact O-CB 3.49Å; R260-T264 PolarHBondContact O-N 2.93Å; R260-T264 PolarHBondContact O-OG1 3.06Å
261L94.1Very high93.6Very high61 Ų6149.5 Ų49.532%0.31923%0.231SC..Hα-helixtrans-56-54.2177.1177.764.7000111.3P221 A225 K257 A258 R263 T264 T265P221-L261 HydrophobicContact CB-CD2 3.94Å; P221-L261 HydrophobicContact CG-CD2 4.12Å; A225-L261 HydrophobicContact CB-CD2 3.99Å; K257-L261 PolarHBondContact O-N 3.42Å; A258-L261 PolarHBondContact O-N 3.19Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 2.91Å; L261-T264 PolarHBondContact O-N 3.42Å; L261-T265 WeakPolarHBondContact O-CB 3.27Å; L261-T265 PolarHBondContact O-N 2.88Å; L261-T265 PolarHBondContact O-OG1 3.34Å; L261-T265 VanDerWaalsContact O-OG1 3.05Å
262L92.5Very high93.3Very high1 Ų151.1 Ų51.11%0.00524%0.241CC..Hα-helixtrans-58.2-41.6-178.4-65.1174.8000111.9F132 F222 A225 I226 A258 C259 R260 G266 V314 I318F132-L262 HydrophobicContact CE2-CD1 3.98Å; F222-L262 HydrophobicContact CD1-CD2 4.41Å; F222-L262 HydrophobicContact CD2-CD2 3.61Å; F222-L262 HydrophobicContact CE1-CD2 4.16Å; F222-L262 HydrophobicContact CE2-CD2 3.32Å; F222-L262 HydrophobicContact CG-CD2 4.15Å; F222-L262 HydrophobicContact CZ-CD2 3.63Å; A225-L262 HydrophobicContact CB-CD1 4.49Å; A225-L262 HydrophobicContact CB-CD2 4.05Å; A225-L262 HydrophobicContact CB-CG 4.12Å; I226-L262 HydrophobicContact CG1-CD1 4.26Å; I226-L262 HydrophobicContact CG1-CD2 3.97Å; A258-L262 WeakPolarHBondContact O-CG 3.35Å; A258-L262 PolarHBondContact O-N 3.16Å; C259-L262 PolarHBondContact O-N 3.3Å; R260-L262 PolarHBondContact O-N 3.42Å; L262-G266 PolarHBondContact O-N 3.02Å; L262-V314 HydrophobicContact CB-CG1 4.48Å; L262-V314 HydrophobicContact CD1-CG1 4.49Å; L262-I318 HydrophobicContact CD1-CD1 4.31Å
263R93.4Very high93Very high30 Ų3052.2 Ų52.211%0.11325%0.245CC..Hα-helixtrans-73.2-41.8-180-70.3-177.165.685.18.9113R131 F132 C259 R260 L261 T265 G266 A267 E307 L310 D311 V314R131-R263 WeakPolarHBondContact O-CD 3.39Å; F132-R263 PolarHBondContact O-NH1 3.33Å; C259-R263 WeakPolarHBondContact O-CB 3.42Å; C259-R263 WeakPolarHBondContact O-CG 3.08Å; C259-R263 PolarHBondContact O-N 3.11Å; C259-R263 VanDerWaalsContact O-N 3.1Å; R260-R263 PolarHBondContact O-N 3.09Å; L261-R263 VanDerWaalsContact C-N 3.28Å; L261-R263 PolarHBondContact O-N 2.91Å; R263-T265 VanDerWaalsContact C-N 3.34Å; R263-G266 PolarHBondContact O-N 3.5Å; R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.2Å; R263-E307 IonicContact CZ-OE1 3.64Å; R263-E307 IonicContact NH1-OE1 2.72Å; R263-E307 IonicContact NH2-OE1 3.15Å; R263-E307 PolarHBondContact NH2-OE1 3.47Å; R263-E307 IonicContact NH2-OE2 3.51Å; R263-L310 VanDerWaalsContact NH2-CD2 3.35Å; R263-L310 WeakPolarHBondContact O-CD1 3.42Å; R263-D311 IonicContact CZ-OD1 3.78Å; R263-D311 IonicContact NH1-OD1 3.88Å; R263-D311 PolarHBondContact NH1-OD1 3.47Å; R263-D311 IonicContact NH2-OD1 2.8Å; R263-V314 HydrophobicContact CG-CG2 3.81Å
264T93.7Very high92.5Very high95 Ų9552.8 Ų52.858%0.58324%0.243SC*.Hα-helixtrans-64.5-41.3176.7-60.60000111R260 L261 A267 Q268R260-T264 WeakPolarHBondContact O-CB 3.49Å; R260-T264 PolarHBondContact O-N 2.93Å; R260-T264 PolarHBondContact O-OG1 3.06Å; L261-T264 PolarHBondContact O-N 3.42Å; T264-A267 PolarHBondContact O-N 3.18Å; T264-Q268 WeakPolarHBondContact O-CB 3.16Å; T264-Q268 PolarHBondContact O-N 2.81Å
265T91.9Very high92.1Very high30 Ų3052 Ų5218%0.18424%0.244CC..Hα-helixtrans-62.2-46.5173.9-600000111.6F222 L261 R263 A267 Q268 W269F222-T265 HydrophobicContact CE2-CG2 4.12Å; L261-T265 WeakPolarHBondContact O-CB 3.27Å; L261-T265 PolarHBondContact O-N 2.88Å; L261-T265 PolarHBondContact O-OG1 3.34Å; L261-T265 VanDerWaalsContact O-OG1 3.05Å; R263-T265 VanDerWaalsContact C-N 3.34Å; T265-A267 PolarHBondContact O-N 3.05Å; T265-Q268 WeakPolarHBondContact O-CB 3.21Å; T265-Q268 PolarHBondContact O-N 3.29Å; T265-W269 HydrophobicContact CG2-CD2 4.2Å; T265-W269 VanDerWaalsContact CG2-CE2 3.49Å; T265-W269 HydrophobicContact CG2-CH2 4.47Å; T265-W269 HydrophobicContact CG2-CZ2 3.63Å; T265-W269 PolarHBondContact O-N 2.77Å
266G90.9Very high91.7Very high0 Ų053.1 Ų53.10%025%0.253CS..Hα-helixtrans-61.7-44.1177.400000113.6L262 R263 Q268 W269 I270L262-G266 PolarHBondContact O-N 3.02Å; R263-G266 PolarHBondContact O-N 3.5Å; G266-Q268 PolarHBondContact O-N 3.02Å; G266-W269 PolarHBondContact O-N 3.26Å; G266-I270 WeakPolarHBondContact O-CB 3.25Å; G266-I270 WeakPolarHBondContact O-CD1 3.05Å; G266-I270 VanDerWaalsContact O-CG1 3.25Å; G266-I270 WeakPolarHBondContact O-CG1 3.31Å; G266-I270 PolarHBondContact O-N 2.89Å
267A91.4Very high91.3Very high29 Ų2951.3 Ų51.324%0.2425%0.249CC..Hα-helixtrans-61.7-36.7175.900000111.4R263 T264 T265 R271 L310R263-A267 WeakPolarHBondContact O-CB 3.48Å; R263-A267 PolarHBondContact O-N 3.2Å; T264-A267 PolarHBondContact O-N 3.18Å; T265-A267 PolarHBondContact O-N 3.05Å; A267-R271 WeakPolarHBondContact O-CB 3.41Å; A267-R271 WeakPolarHBondContact O-CG 3.48Å; A267-R271 PolarHBondContact O-N 3.2Å; A267-R271 VanDerWaalsContact O-N 3.12Å; A267-R271 PolarHBondContact O-NE 3.25Å; A267-L310 HydrophobicContact CB-CD1 4.29Å; A267-L310 HydrophobicContact CB-CD2 4.19Å
268Q91.4Very high90.8Very high73 Ų7352 Ų5234%0.34125%0.254SS..Hα-helixtrans-64-52.5174.9-171.858.138.300111.4T264 T265 G266 I270 R271 D272T264-Q268 WeakPolarHBondContact O-CB 3.16Å; T264-Q268 PolarHBondContact O-N 2.81Å; T265-Q268 WeakPolarHBondContact O-CB 3.21Å; T265-Q268 PolarHBondContact O-N 3.29Å; G266-Q268 PolarHBondContact O-N 3.02Å; Q268-I270 VanDerWaalsContact C-N 3.35Å; Q268-I270 PolarHBondContact O-N 2.99Å; Q268-R271 PolarHBondContact O-N 2.83Å; Q268-R271 VanDerWaalsContact O-N 3.17Å; Q268-D272 WeakPolarHBondContact CG-OD2 3.47Å; Q268-D272 PolarHBondContact NE2-OD1 3.42Å; Q268-D272 PolarHBondContact NE2-OD2 3.02Å; Q268-D272 VanDerWaalsContact O-CG 3.23Å; Q268-D272 PolarHBondContact O-N 3.32Å
269W90.1Very high90.5Very high43 Ų4357 Ų5716%0.16328%0.28CS..Hα-helixtrans-64.1-38.6-176.8-642.2000113F209 V211 L213 T265 G266 R273 F313 F317F209-W269 HydrophobicContact CB-CE3 3.64Å; F209-W269 HydrophobicContact CB-CZ3 3.85Å; F209-W269 HydrophobicContact CD1-CE3 4.48Å; F209-W269 HydrophobicContact CD2-CE3 4.36Å; F209-W269 HydrophobicContact CD2-CZ3 4.08Å; F209-W269 AromaticContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CE3 3.91Å; F209-W269 HydrophobicContact CG-CZ3 4.06Å; V211-W269 HydrophobicContact CB-CE3 4.22Å; V211-W269 HydrophobicContact CB-CH2 3.79Å; V211-W269 HydrophobicContact CB-CZ2 4.13Å; V211-W269 HydrophobicContact CB-CZ3 3.81Å; V211-W269 HydrophobicContact CG1-CH2 3.65Å; V211-W269 HydrophobicContact CG1-CZ2 3.63Å; V211-W269 HydrophobicContact CG1-CZ3 4.21Å; V211-W269 HydrophobicContact CG2-CD2 3.71Å; V211-W269 HydrophobicContact CG2-CE3 3.55Å; V211-W269 HydrophobicContact CG2-CG 4.39Å; V211-W269 HydrophobicContact CG2-CH2 3.96Å; V211-W269 HydrophobicContact CG2-CZ2 4.05Å; V211-W269 HydrophobicContact CG2-CZ3 3.69Å; L213-W269 HydrophobicContact CD2-CH2 4.06Å; L213-W269 HydrophobicContact CD2-CZ2 4.17Å; T265-W269 HydrophobicContact CG2-CD2 4.2Å; T265-W269 VanDerWaalsContact CG2-CE2 3.49Å; T265-W269 HydrophobicContact CG2-CH2 4.47Å; T265-W269 HydrophobicContact CG2-CZ2 3.63Å; T265-W269 PolarHBondContact O-N 2.77Å; G266-W269 PolarHBondContact O-N 3.26Å; W269-R273 WeakPolarHBondContact O-CB 3.33Å; W269-R273 PolarHBondContact O-N 2.73Å; W269-F313 HydrophobicContact CB-CE2 4.34Å; W269-F313 HydrophobicContact CD2-CE2 4.12Å; W269-F313 HydrophobicContact CD2-CZ 4.09Å; W269-F313 AromaticContact CE3-CE2 3.45Å; W269-F313 HydrophobicContact CE3-CE2 3.45Å; W269-F313 VanDerWaalsContact CE3-CE2 3.45Å; W269-F313 AromaticContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CZ3-CE2 4.04Å; W269-F313 AromaticContact CZ3-CZ 3.9Å; W269-F313 HydrophobicContact CZ3-CZ 3.9Å; W269-F317 HydrophobicContact CH2-CZ 4.42Å; W269-F317 HydrophobicContact CZ3-CE2 4.38Å; W269-F317 AromaticContact CZ3-CZ 3.9Å; W269-F317 HydrophobicContact CZ3-CZ 3.9Å
270I88.8Confident90.1Very high19 Ų1960.1 Ų60.110%0.09731%0.313CS..Hα-helixtrans-63.8-45.3175.5-66.9165.9000110.3G266 Q268 R273 R274 L288 M309 L310 F313G266-I270 WeakPolarHBondContact O-CB 3.25Å; G266-I270 WeakPolarHBondContact O-CD1 3.05Å; G266-I270 VanDerWaalsContact O-CG1 3.25Å; G266-I270 WeakPolarHBondContact O-CG1 3.31Å; G266-I270 PolarHBondContact O-N 2.89Å; Q268-I270 VanDerWaalsContact C-N 3.35Å; Q268-I270 PolarHBondContact O-N 2.99Å; I270-R273 PolarHBondContact O-N 2.63Å; I270-R274 WeakPolarHBondContact O-CB 3.48Å; I270-R274 PolarHBondContact O-N 2.48Å; I270-L288 HydrophobicContact CG1-CD1 4.17Å; I270-M309 HydrophobicContact CD1-CB 4.23Å; I270-M309 HydrophobicContact CG2-CE 3.98Å; I270-L310 HydrophobicContact CD1-CB 4.32Å; I270-L310 HydrophobicContact CD1-CD1 4.34Å; I270-F313 HydrophobicContact CD1-CB 4.17Å
271R89.4Confident89.7Confident141 Ų14159.4 Ų59.453%0.53232%0.316SS..Hα-helixtrans-64.4-44178.6-76.1-175.7-58.5170.75.1112.4A267 Q268 R274 T275A267-R271 WeakPolarHBondContact O-CB 3.41Å; A267-R271 WeakPolarHBondContact O-CG 3.48Å; A267-R271 PolarHBondContact O-N 3.2Å; A267-R271 VanDerWaalsContact O-N 3.12Å; A267-R271 PolarHBondContact O-NE 3.25Å; Q268-R271 PolarHBondContact O-N 2.83Å; Q268-R271 VanDerWaalsContact O-N 3.17Å; R271-R274 PolarHBondContact O-N 3.29Å; R271-T275 WeakPolarHBondContact O-CB 3.37Å; R271-T275 PolarHBondContact O-N 3.05Å; R271-T275 PolarHBondContact O-OG1 3.12Å
272D89.8Confident89.2Confident81 Ų8164.3 Ų64.343%0.43334%0.343SS..Hα-helixtrans-62.7-45.8179.2-67.4-21.5000110.6Q268 R274 T275 A276Q268-D272 WeakPolarHBondContact CG-OD2 3.47Å; Q268-D272 PolarHBondContact NE2-OD1 3.42Å; Q268-D272 PolarHBondContact NE2-OD2 3.02Å; Q268-D272 VanDerWaalsContact O-CG 3.23Å; Q268-D272 PolarHBondContact O-N 3.32Å; D272-R274 PolarHBondContact O-N 3.03Å; D272-T275 PolarHBondContact O-N 2.82Å; D272-A276 PolarHBondContact O-N 2.94Å
273R89.3Confident88.8Confident27 Ų2765.3 Ų65.310%0.10235%0.349CS..Hα-helixtrans-61.6-43.7177.2-175.755.658111.813.4112F209 W269 I270 A276 M277 P284 D286 L288 T289 I292F209-R273 PolarHBondContact O-NH2 2.86Å; W269-R273 WeakPolarHBondContact O-CB 3.33Å; W269-R273 PolarHBondContact O-N 2.73Å; I270-R273 PolarHBondContact O-N 2.63Å; R273-A276 PolarHBondContact O-N 2.76Å; R273-M277 HydrophobicContact CG-SD 4.27Å; R273-M277 VanDerWaalsContact O-CG 3.31Å; R273-M277 WeakPolarHBondContact O-CG 3.11Å; R273-M277 PolarHBondContact O-N 3.01Å; R273-P284 PolarHBondContact NH1-O 3.39Å; R273-P284 VanDerWaalsContact NH1-O 3.11Å; R273-D286 IonicContact CZ-OD1 3.04Å; R273-D286 IonicContact CZ-OD2 3.36Å; R273-D286 VanDerWaalsContact NH1-CG 3.26Å; R273-D286 IonicContact NH1-OD1 3.86Å; R273-D286 PolarHBondContact NH1-OD1 3.05Å; R273-D286 VanDerWaalsContact NH1-OD1 3.13Å; R273-D286 IonicContact NH1-OD2 2.79Å; R273-D286 PolarHBondContact NH1-OD2 2.74Å; R273-D286 IonicContact NH2-OD2 3.82Å; R273-D286 PolarHBondContact NH2-OD2 2.67Å; R273-L288 HydrophobicContact CB-CD2 3.86Å; R273-L288 HydrophobicContact CG-CD2 4.02Å; R273-L288 HydrophobicContact CG-CG 4.29Å; R273-T289 PolarHBondContact NH1-OG1 2.81Å; R273-I292 HydrophobicContact CB-CD1 4.12Å; R273-I292 HydrophobicContact CG-CD1 3.64Å
274R85.7Confident88.2Confident73 Ų7367 Ų6728%0.27536%0.364SS..Hα-helixtrans-65.2-43.1179.9-175.1175.3179.4176.3-5.4111.9I270 R271 D272 M277 Q278 M301 E306I270-R274 WeakPolarHBondContact O-CB 3.48Å; I270-R274 PolarHBondContact O-N 2.48Å; R271-R274 PolarHBondContact O-N 3.29Å; D272-R274 PolarHBondContact O-N 3.03Å; R274-M277 PolarHBondContact O-N 3.15Å; R274-Q278 WeakPolarHBondContact O-CG 3.38Å; R274-Q278 PolarHBondContact O-N 2.91Å; R274-M301 VanDerWaalsContact NH1-CE 3.29Å; R274-E306 IonicContact CZ-OE1 3.72Å; R274-E306 IonicContact NH1-OE1 3.56Å; R274-E306 PolarHBondContact NH1-OE1 2.93Å; R274-E306 IonicContact NH2-OE1 2.7Å
275T88.3Confident87.7Confident68 Ų6870.8 Ų70.842%0.41737%0.372SS..Hα-helixtrans-59.5-47.3176.6-54.40000110.6R271 D272 M277 Q278 N279R271-T275 WeakPolarHBondContact O-CB 3.37Å; R271-T275 PolarHBondContact O-N 3.05Å; R271-T275 PolarHBondContact O-OG1 3.12Å; D272-T275 PolarHBondContact O-N 2.82Å; T275-M277 VanDerWaalsContact C-N 3.34Å; T275-M277 PolarHBondContact O-N 3.44Å; T275-Q278 PolarHBondContact O-N 3.22Å; T275-Q278 VanDerWaalsContact O-N 3.16Å; T275-N279 VanDerWaalsContact O-CG 3.25Å; T275-N279 PolarHBondContact O-N 3.4Å; T275-N279 PolarHBondContact O-ND2 3.31Å
276A88.3Confident87.3Confident24 Ų2469.6 Ų69.620%0.19837%0.365CS..Hα-helixtrans-59.2-43.6176.500000112.4D272 R273 Q278 N279 G280 D281 V283D272-A276 PolarHBondContact O-N 2.94Å; R273-A276 PolarHBondContact O-N 2.76Å; A276-Q278 VanDerWaalsContact C-N 3.34Å; A276-Q278 PolarHBondContact O-N 3.45Å; A276-N279 PolarHBondContact O-N 3.42Å; A276-G280 PolarHBondContact O-N 3.39Å; A276-D281 WeakPolarHBondContact CA-OD2 3.34Å; A276-D281 HydrophobicContact CB-CB 4.19Å; A276-D281 WeakPolarHBondContact O-CB 3.47Å; A276-D281 PolarHBondContact O-N 3.11Å; A276-V283 HydrophobicContact CB-CG1 3.79Å
277M86.9Confident87.1Confident52 Ų5269.6 Ų69.626%0.25637%0.365SS..Hα-helixtrans-63.7-36.8176-71.5-179.666.500113.2R273 R274 T275 G280 V283 T289 I292 K293R273-M277 HydrophobicContact CG-SD 4.27Å; R273-M277 VanDerWaalsContact O-CG 3.31Å; R273-M277 WeakPolarHBondContact O-CG 3.11Å; R273-M277 PolarHBondContact O-N 3.01Å; R274-M277 PolarHBondContact O-N 3.15Å; T275-M277 VanDerWaalsContact C-N 3.34Å; T275-M277 PolarHBondContact O-N 3.44Å; M277-G280 PolarHBondContact O-N 2.99Å; M277-V283 HydrophobicContact CG-CB 4.31Å; M277-V283 HydrophobicContact CG-CG1 3.76Å; M277-V283 HydrophobicContact CG-CG2 3.85Å; M277-T289 HydrophobicContact CE-CG2 4.46Å; M277-T289 HydrophobicContact SD-CG2 4.24Å; M277-I292 HydrophobicContact CE-CB 4.37Å; M277-I292 HydrophobicContact CE-CG2 3.8Å; M277-I292 HydrophobicContact SD-CB 4.03Å; M277-I292 HydrophobicContact SD-CD1 4.15Å; M277-I292 HydrophobicContact SD-CG2 3.64Å; M277-K293 HydrophobicContact CE-CG 3.67Å
278Q86.3Confident86.9Confident133 Ų13368.6 Ų68.662%0.62136%0.355SS*.Hα-helixtrans-71.4-34.5178.3-74.8173.9-18.500112.3R274 T275 A276 G280R274-Q278 WeakPolarHBondContact O-CG 3.38Å; R274-Q278 PolarHBondContact O-N 2.91Å; T275-Q278 PolarHBondContact O-N 3.22Å; T275-Q278 VanDerWaalsContact O-N 3.16Å; A276-Q278 VanDerWaalsContact C-N 3.34Å; A276-Q278 PolarHBondContact O-N 3.45Å; Q278-G280 PolarHBondContact O-N 3.24Å
279N89.8Confident86.6Confident112 Ų11265.2 Ų65.260%0.59934%0.34SS*.Hα-helixtrans-73.5-10.5176-67.3-14.1000113.1T275 A276 D281T275-N279 VanDerWaalsContact O-CG 3.25Å; T275-N279 PolarHBondContact O-N 3.4Å; T275-N279 PolarHBondContact O-ND2 3.31Å; A276-N279 PolarHBondContact O-N 3.42Å; N279-D281 VanDerWaalsContact C-N 3.33Å
280G84.9Confident86.4Confident67 Ų6765.7 Ų65.769%0.69134%0.344SS*.THydrogen-bonded Turntrans78.218.5-175.800000113.6A276 M277 Q278A276-G280 PolarHBondContact O-N 3.39Å; M277-G280 PolarHBondContact O-N 2.99Å; Q278-G280 PolarHBondContact O-N 3.24Å
281D86.9Confident86.2Confident88 Ų8865.1 Ų65.147%0.47134%0.341SS..  trans-67.1152.9177-60.4-37.5000110.7A276 N279 V283A276-D281 WeakPolarHBondContact CA-OD2 3.34Å; A276-D281 HydrophobicContact CB-CB 4.19Å; A276-D281 WeakPolarHBondContact O-CB 3.47Å; A276-D281 PolarHBondContact O-N 3.11Å; N279-D281 VanDerWaalsContact C-N 3.33Å; D281-V283 PolarHBondContact O-N 2.82Å; D281-V283 VanDerWaalsContact O-N 3.13Å
282D83.4Confident86Confident164 Ų16459.1 Ų59.188%0.87732%0.319SS*.  trans-69.5110.5171.6-172.232.3000109.6
283V84.1Confident85.7Confident22 Ų2260.2 Ų60.213%0.13332%0.32CS..  trans-101.8140.2-178.5-67.50000111.5A276 M277 D281 K285 T289A276-V283 HydrophobicContact CB-CG1 3.79Å; M277-V283 HydrophobicContact CG-CB 4.31Å; M277-V283 HydrophobicContact CG-CG1 3.76Å; M277-V283 HydrophobicContact CG-CG2 3.85Å; D281-V283 PolarHBondContact O-N 2.82Å; D281-V283 VanDerWaalsContact O-N 3.13Å; V283-K285 PolarHBondContact O-N 3.34Å; V283-T289 HydrophobicContact CG2-CG2 3.74Å
284P80.8Confident85.4Confident65 Ų6560 Ų6042%0.42232%0.321SS..  trans-52.3139.6176.1-24.627.1000112.9R273 D286 T289R273-P284 PolarHBondContact NH1-O 3.39Å; R273-P284 VanDerWaalsContact NH1-O 3.11Å; P284-D286 PolarHBondContact O-N 3.39Å; P284-T289 WeakPolarHBondContact O-CB 3.24Å; P284-T289 PolarHBondContact O-OG1 3.18Å
285K82.5Confident85.2Confident176 Ų17657 Ų5777%0.76531%0.312SS*.  trans-78.968.5174.1-64.5177.4-176.3171.60110.3Y161 L165 V283Y161-K285 VanDerWaalsContact OH-C 3.26Å; Y161-K285 PolarHBondContact OH-O 2.87Å; L165-K285 WeakPolarHBondContact CD2-O 3.2Å; V283-K285 PolarHBondContact O-N 3.34Å
286D85.1Confident84.7Confident4 Ų457.1 Ų57.12%0.02132%0.321CS..SBendtrans-110.4170.5179.256.731.7000113.1Y161 V207 F209 G210 R273 P284 L288 T289 Q290Y161-D286 VanDerWaalsContact OH-C 3.25Å; Y161-D286 PolarHBondContact OH-N 3.22Å; Y161-D286 PolarHBondContact OH-O 2.96Å; V207-D286 WeakPolarHBondContact O-CB 3.25Å; F209-D286 VanDerWaalsContact C-OD2 3.29Å; G210-D286 WeakPolarHBondContact CA-OD2 3.44Å; G210-D286 PolarHBondContact N-OD2 3.21Å; R273-D286 IonicContact CZ-OD1 3.04Å; R273-D286 IonicContact CZ-OD2 3.36Å; R273-D286 VanDerWaalsContact NH1-CG 3.26Å; R273-D286 IonicContact NH1-OD1 3.86Å; R273-D286 PolarHBondContact NH1-OD1 3.05Å; R273-D286 VanDerWaalsContact NH1-OD1 3.13Å; R273-D286 IonicContact NH1-OD2 2.79Å; R273-D286 PolarHBondContact NH1-OD2 2.74Å; R273-D286 IonicContact NH2-OD2 3.82Å; R273-D286 PolarHBondContact NH2-OD2 2.67Å; P284-D286 PolarHBondContact O-N 3.39Å; D286-L288 VanDerWaalsContact C-N 3.28Å; D286-L288 PolarHBondContact O-N 3.11Å; D286-T289 PolarHBondContact O-N 3.16Å; D286-T289 VanDerWaalsContact O-N 3.15Å; D286-T289 VanDerWaalsContact OD1-CB 3.24Å; D286-T289 WeakPolarHBondContact OD1-CB 3.43Å; D286-T289 PolarHBondContact OD1-N 2.72Å; D286-T289 PolarHBondContact OD1-OG1 2.72Å; D286-Q290 PolarHBondContact O-N 3.38Å
287I85.5Confident84.1Confident0 Ų061.2 Ų61.20%034%0.343CS..Hα-helixtrans-57.1-42.2-178.1-59.1178.4000110.8A156 F157 Y161 L165 V207 A208 T289 Q290 I291 F460A156-I287 HydrophobicContact CB-CB 4.28Å; A156-I287 HydrophobicContact CB-CG2 3.62Å; F157-I287 HydrophobicContact CD1-CD1 4.46Å; F157-I287 HydrophobicContact CD2-CG2 4.33Å; F157-I287 HydrophobicContact CE1-CD1 3.92Å; F157-I287 HydrophobicContact CE2-CD1 4.46Å; F157-I287 HydrophobicContact CE2-CG2 3.61Å; F157-I287 HydrophobicContact CZ-CD1 3.93Å; F157-I287 HydrophobicContact CZ-CG2 3.89Å; Y161-I287 HydrophobicContact CE1-CG1 4.4Å; L165-I287 HydrophobicContact CD1-CG1 4.4Å; V207-I287 HydrophobicContact CG1-CD1 4.25Å; V207-I287 PolarHBondContact O-N 2.87Å; A208-I287 HydrophobicContact CB-CB 4.18Å; A208-I287 HydrophobicContact CB-CD1 4.05Å; A208-I287 HydrophobicContact CB-CG1 4.46Å; I287-T289 PolarHBondContact O-N 3.13Å; I287-Q290 PolarHBondContact O-N 3.01Å; I287-I291 HydrophobicContact CG2-CD1 3.71Å; I287-I291 HydrophobicContact CG2-CG1 4.26Å; I287-I291 WeakPolarHBondContact O-CB 3.17Å; I287-I291 VanDerWaalsContact O-CG1 3.27Å; I287-I291 WeakPolarHBondContact O-CG1 3.11Å; I287-I291 PolarHBondContact O-N 3.08Å; I287-F460 HydrophobicContact CD1-CD2 4.3Å; I287-F460 HydrophobicContact CD1-CE2 4.18Å
288L86.9Confident83.3Confident8 Ų861.4 Ų61.44%0.04234%0.343CS..Hα-helixtrans-59.9-45.9178.6176.462000111.3A208 F209 I270 R273 D286 Q290 I291 I292 M309A208-L288 VanDerWaalsContact O-CB 3.22Å; A208-L288 WeakPolarHBondContact O-CB 3.4Å; A208-L288 PolarHBondContact O-N 3.22Å; F209-L288 HydrophobicContact CD1-CB 3.93Å; F209-L288 HydrophobicContact CD1-CD2 3.99Å; F209-L288 HydrophobicContact CD1-CG 4.37Å; F209-L288 HydrophobicContact CE1-CB 4.46Å; I270-L288 HydrophobicContact CG1-CD1 4.17Å; R273-L288 HydrophobicContact CB-CD2 3.86Å; R273-L288 HydrophobicContact CG-CD2 4.02Å; R273-L288 HydrophobicContact CG-CG 4.29Å; D286-L288 VanDerWaalsContact C-N 3.28Å; D286-L288 PolarHBondContact O-N 3.11Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.26Å; L288-I291 PolarHBondContact O-N 3.14Å; L288-I292 HydrophobicContact CD1-CD1 3.92Å; L288-I292 HydrophobicContact CD1-CG1 4.16Å; L288-I292 HydrophobicContact CD2-CD1 4.47Å; L288-I292 HydrophobicContact CG-CD1 3.86Å; L288-I292 HydrophobicContact CG-CG1 4.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.31Å; L288-I292 PolarHBondContact O-N 2.91Å; L288-M309 HydrophobicContact CD1-CE 3.93Å
289T85.8Confident81.6Confident2 Ų264.5 Ų64.51%0.01236%0.355CS..Hα-helixtrans-61.9-41.5177.4-59.60000111.1R273 M277 V283 P284 D286 I287 I292 K293R273-T289 PolarHBondContact NH1-OG1 2.81Å; M277-T289 HydrophobicContact CE-CG2 4.46Å; M277-T289 HydrophobicContact SD-CG2 4.24Å; V283-T289 HydrophobicContact CG2-CG2 3.74Å; P284-T289 WeakPolarHBondContact O-CB 3.24Å; P284-T289 PolarHBondContact O-OG1 3.18Å; D286-T289 PolarHBondContact O-N 3.16Å; D286-T289 VanDerWaalsContact O-N 3.15Å; D286-T289 VanDerWaalsContact OD1-CB 3.24Å; D286-T289 WeakPolarHBondContact OD1-CB 3.43Å; D286-T289 PolarHBondContact OD1-N 2.72Å; D286-T289 PolarHBondContact OD1-OG1 2.72Å; I287-T289 PolarHBondContact O-N 3.13Å; T289-I292 PolarHBondContact O-N 3.47Å; T289-K293 HydrophobicContact CG2-CD 4.27Å; T289-K293 WeakPolarHBondContact O-CB 3.43Å; T289-K293 VanDerWaalsContact O-CG 3.3Å; T289-K293 WeakPolarHBondContact O-CG 3.37Å; T289-K293 PolarHBondContact O-N 3.01Å
290Q85.3Confident79.9Confident53 Ų5366.4 Ų66.425%0.24837%0.365CS..Hα-helixtrans-65.8-39176.8-172.46024.200112.2A156 Y161 D286 I287 L288 T294A156-Q290 HydrophobicContact CB-CB 3.88Å; A156-Q290 HydrophobicContact CB-CG 3.78Å; Y161-Q290 HydrophobicContact CD2-CG 4.43Å; Y161-Q290 HydrophobicContact CE1-CB 4.39Å; Y161-Q290 HydrophobicContact CE2-CB 4.13Å; Y161-Q290 HydrophobicContact CE2-CG 4.05Å; D286-Q290 PolarHBondContact O-N 3.38Å; I287-Q290 PolarHBondContact O-N 3.01Å; L288-Q290 VanDerWaalsContact C-N 3.3Å; L288-Q290 PolarHBondContact O-N 3.26Å; Q290-T294 WeakPolarHBondContact O-CB 3.4Å; Q290-T294 PolarHBondContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 2.97Å
291I85.3Confident78.5Confident8 Ų866 Ų664%0.04135%0.346CS..Hα-helixtrans-63.9-48.2175.1-72.4171.8000110.4I152 M153 A156 I287 L288 K293 T294 A295 M309 F316I152-I291 HydrophobicContact CG2-CG2 4.06Å; M153-I291 HydrophobicContact CG-CD1 4.06Å; M153-I291 HydrophobicContact CG-CG1 4.23Å; M153-I291 HydrophobicContact SD-CD1 4.38Å; A156-I291 HydrophobicContact CB-CG1 4.19Å; I287-I291 HydrophobicContact CG2-CD1 3.71Å; I287-I291 HydrophobicContact CG2-CG1 4.26Å; I287-I291 WeakPolarHBondContact O-CB 3.17Å; I287-I291 VanDerWaalsContact O-CG1 3.27Å; I287-I291 WeakPolarHBondContact O-CG1 3.11Å; I287-I291 PolarHBondContact O-N 3.08Å; L288-I291 PolarHBondContact O-N 3.14Å; I291-K293 VanDerWaalsContact C-N 3.35Å; I291-K293 PolarHBondContact O-N 2.95Å; I291-T294 PolarHBondContact O-N 3.27Å; I291-A295 VanDerWaalsContact O-CB 3.31Å; I291-A295 WeakPolarHBondContact O-CB 3.25Å; I291-A295 PolarHBondContact O-N 2.95Å; I291-M309 HydrophobicContact CG2-CE 4.32Å; I291-F316 HydrophobicContact CD1-CE2 3.75Å; I291-F316 HydrophobicContact CD1-CZ 3.94Å
292I85.1Confident77.5Confident14 Ų1464.1 Ų64.17%0.07234%0.339CS..Hα-helixtrans-60.2-45.3178.7-68.3166.4000110.7R273 M277 L288 T289 T294 A295 A296 M309R273-I292 HydrophobicContact CB-CD1 4.12Å; R273-I292 HydrophobicContact CG-CD1 3.64Å; M277-I292 HydrophobicContact CE-CB 4.37Å; M277-I292 HydrophobicContact CE-CG2 3.8Å; M277-I292 HydrophobicContact SD-CB 4.03Å; M277-I292 HydrophobicContact SD-CD1 4.15Å; M277-I292 HydrophobicContact SD-CG2 3.64Å; L288-I292 HydrophobicContact CD1-CD1 3.92Å; L288-I292 HydrophobicContact CD1-CG1 4.16Å; L288-I292 HydrophobicContact CD2-CD1 4.47Å; L288-I292 HydrophobicContact CG-CD1 3.86Å; L288-I292 HydrophobicContact CG-CG1 4.48Å; L288-I292 WeakPolarHBondContact O-CG1 3.31Å; L288-I292 PolarHBondContact O-N 2.91Å; T289-I292 PolarHBondContact O-N 3.47Å; I292-T294 PolarHBondContact O-N 3.38Å; I292-A295 PolarHBondContact O-N 2.92Å; I292-A296 WeakPolarHBondContact O-CB 3.25Å; I292-A296 PolarHBondContact O-N 2.93Å; I292-M309 HydrophobicContact CD1-CE 4.14Å; I292-M309 HydrophobicContact CG1-CE 3.34Å; I292-M309 HydrophobicContact CG1-SD 4.5Å
293K84.6Confident76.7Confident104 Ų10464.6 Ų64.645%0.45234%0.336SS..Hα-helixtrans-60.7-45.2177.2-75.1179.3179.11790111.9M277 T289 I291 A296 T297M277-K293 HydrophobicContact CE-CG 3.67Å; T289-K293 HydrophobicContact CG2-CD 4.27Å; T289-K293 WeakPolarHBondContact O-CB 3.43Å; T289-K293 VanDerWaalsContact O-CG 3.3Å; T289-K293 WeakPolarHBondContact O-CG 3.37Å; T289-K293 PolarHBondContact O-N 3.01Å; I291-K293 VanDerWaalsContact C-N 3.35Å; I291-K293 PolarHBondContact O-N 2.95Å; K293-A296 PolarHBondContact O-N 3.44Å; K293-T297 PolarHBondContact O-N 3.47Å
294T82.6Confident76.1Confident22 Ų2269.4 Ų69.414%0.13536%0.357CS..Hα-helixtrans-66.7-43.7-180-51.80000110.7P155 Q290 I291 I292 A296 T297P155-T294 HydrophobicContact CG-CG2 4.44Å; Q290-T294 WeakPolarHBondContact O-CB 3.4Å; Q290-T294 PolarHBondContact O-N 3.13Å; Q290-T294 PolarHBondContact O-OG1 2.97Å; I291-T294 PolarHBondContact O-N 3.27Å; I292-T294 PolarHBondContact O-N 3.38Å; T294-A296 VanDerWaalsContact C-N 3.3Å; T294-A296 PolarHBondContact O-N 3.04Å; T294-T297 PolarHBondContact O-N 2.99Å; T294-T297 VanDerWaalsContact O-N 3.13Å; T294-T297 PolarHBondContact O-OG1 2.97Å
295A80.9Confident75.7Confident10 Ų1067.1 Ų67.18%0.08334%0.342CS..Hα-helixtrans-59.9-38175.500000112.3I152 I291 I292 T297 E298 M301I152-A295 HydrophobicContact CG2-CB 4.12Å; I291-A295 VanDerWaalsContact O-CB 3.31Å; I291-A295 WeakPolarHBondContact O-CB 3.25Å; I291-A295 PolarHBondContact O-N 2.95Å; I292-A295 PolarHBondContact O-N 2.92Å; A295-T297 VanDerWaalsContact C-N 3.25Å; A295-T297 PolarHBondContact O-N 2.76Å; A295-E298 WeakPolarHBondContact O-CB 3.26Å; A295-E298 PolarHBondContact O-N 3.34Å; A295-M301 HydrophobicContact CB-SD 4.48Å
296A77.8Confident75.4Confident72 Ų7263 Ų6360%0.59533%0.325SS*.Hα-helixtrans-67.1-22.6177.600000114I292 K293 T294 E298I292-A296 WeakPolarHBondContact O-CB 3.25Å; I292-A296 PolarHBondContact O-N 2.93Å; K293-A296 PolarHBondContact O-N 3.44Å; T294-A296 VanDerWaalsContact C-N 3.3Å; T294-A296 PolarHBondContact O-N 3.04Å; A296-E298 VanDerWaalsContact C-N 3.35Å
297T76.1Confident75.4Confident110 Ų11065.6 Ų65.668%0.67534%0.337SS*.Hα-helixtrans-78.4-20.9174.963.10000113.2K293 T294 A295 K299K293-T297 PolarHBondContact O-N 3.47Å; T294-T297 PolarHBondContact O-N 2.99Å; T294-T297 VanDerWaalsContact O-N 3.13Å; T294-T297 PolarHBondContact O-OG1 2.97Å; A295-T297 VanDerWaalsContact C-N 3.25Å; A295-T297 PolarHBondContact O-N 2.76Å; T297-K299 PolarHBondContact O-N 3.3Å
298E68.8Low75.4Confident55 Ų5566.5 Ų66.526%0.25734%0.341SS..SBendtrans-78.7111.5170.6-61.8-79.8177.300107.5R151 I152 A295 A296 N300R151-E298 IonicContact CZ-OE1 3.2Å; R151-E298 IonicContact CZ-OE2 3.61Å; R151-E298 IonicContact NE-OE1 2.73Å; R151-E298 PolarHBondContact NE-OE1 3.45Å; R151-E298 IonicContact NH2-OE1 3.38Å; R151-E298 PolarHBondContact NH2-OE1 2.72Å; R151-E298 IonicContact NH2-OE2 3.19Å; R151-E298 PolarHBondContact NH2-OE2 2.65Å; I152-E298 HydrophobicContact CG1-CG 4.34Å; A295-E298 WeakPolarHBondContact O-CB 3.26Å; A295-E298 PolarHBondContact O-N 3.34Å; A296-E298 VanDerWaalsContact C-N 3.35Å; E298-N300 PolarHBondContact O-N 3.42Å
299K51.7Low75.3Confident198 Ų19867.2 Ų67.286%0.86135%0.345SS*.SBendtrans-54.8135-176.9-69.1-178.81791800110.9T297T297-K299 PolarHBondContact O-N 3.3Å
300N53.6Low75.5Confident152 Ų15268 Ų6881%0.81335%0.349SS*.  trans68.779.2178.3-58.4-19.4000115.1E298 S302E298-N300 PolarHBondContact O-N 3.42Å; N300-S302 PolarHBondContact O-N 2.87Å; N300-S302 VanDerWaalsContact O-N 3.16Å
301M55.9Low75.7Confident60 Ų6065.5 Ų65.530%0.29634%0.337SS..  trans-69.7107.9165.2-164.4167.465.300109.3R274 A295 D305R274-M301 VanDerWaalsContact NH1-CE 3.29Å; A295-M301 HydrophobicContact CB-SD 4.48Å; M301-D305 HydrophobicContact CG-CB 3.73Å
302S65.4Low75.9Confident47 Ų4765.2 Ų65.233%0.32934%0.335SS..  trans-84.8165.7179.163.10000111.6N300 E304 D305 E306N300-S302 PolarHBondContact O-N 2.87Å; N300-S302 VanDerWaalsContact O-N 3.16Å; S302-E304 PolarHBondContact O-N 3.31Å; S302-E304 VanDerWaalsContact O-N 3.17Å; S302-E304 WeakPolarHBondContact OG-CB 3.47Å; S302-E304 PolarHBondContact OG-N 3.45Å; S302-D305 PolarHBondContact N-OD2 3.23Å; S302-D305 WeakPolarHBondContact O-CB 3.32Å; S302-D305 PolarHBondContact O-N 3.23Å; S302-D305 PolarHBondContact OG-N 3.49Å; S302-D305 PolarHBondContact OG-OD2 3.44Å; S302-E306 PolarHBondContact O-N 2.89Å
303E67.1Low76.1Confident174 Ų17464.7 Ų64.781%0.81333%0.333SS*.Hα-helixtrans-55.2-29.5168.9-69.8-176.8170.700111.9D305 E306 E307E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 3.29Å; E303-E306 PolarHBondContact O-N 3.28Å; E303-E307 PolarHBondContact O-N 3.4Å
304E71.5Confident76.4Confident123 Ų12359.8 Ų59.858%0.57531%0.311SS*.Hα-helixtrans-65.7-33175.6-158.8-178.7-175.700112.2S302 E307 F308S302-E304 PolarHBondContact O-N 3.31Å; S302-E304 VanDerWaalsContact O-N 3.17Å; S302-E304 WeakPolarHBondContact OG-CB 3.47Å; S302-E304 PolarHBondContact OG-N 3.45Å; E304-E307 PolarHBondContact O-N 2.89Å; E304-F308 HydrophobicContact CB-CE2 4.42Å; E304-F308 HydrophobicContact CG-CD2 4.4Å; E304-F308 HydrophobicContact CG-CE1 4.24Å; E304-F308 HydrophobicContact CG-CE2 3.67Å; E304-F308 HydrophobicContact CG-CZ 3.58Å; E304-F308 WeakPolarHBondContact O-CD2 3.36Å; E304-F308 VanDerWaalsContact O-CG 3.24Å; E304-F308 WeakPolarHBondContact O-CG 3.39Å; E304-F308 PolarHBondContact O-N 2.94Å; E304-F308 WeakPolarHBondContact OE1-CZ 3.32Å
305D72.1Confident76.7Confident18 Ų1859 Ų5910%0.09631%0.306CS..Hα-helixtrans-72.2-33.8178.1-63.7-56.4000112.2K148 M301 S302 E303 E307 F308 M309K148-D305 IonicContact NZ-OD1 2.64Å; K148-D305 PolarHBondContact NZ-OD1 2.92Å; K148-D305 IonicContact NZ-OD2 3.63Å; M301-D305 HydrophobicContact CG-CB 3.73Å; S302-D305 PolarHBondContact N-OD2 3.23Å; S302-D305 WeakPolarHBondContact O-CB 3.32Å; S302-D305 PolarHBondContact O-N 3.23Å; S302-D305 PolarHBondContact OG-N 3.49Å; S302-D305 PolarHBondContact OG-OD2 3.44Å; E303-D305 VanDerWaalsContact C-N 3.3Å; E303-D305 PolarHBondContact O-N 3.29Å; D305-E307 VanDerWaalsContact C-N 3.34Å; D305-F308 PolarHBondContact O-N 3.02Å; D305-M309 WeakPolarHBondContact O-CG 3.14Å; D305-M309 PolarHBondContact O-N 3.23Å
306E76.3Confident77Confident89 Ų8959.6 Ų59.642%0.41631%0.307SS..Hα-helixtrans-64.3-41.9172.1-65.6-174.1-173.200111.3R274 S302 E303 M309 L310R274-E306 IonicContact CZ-OE1 3.72Å; R274-E306 IonicContact NH1-OE1 3.56Å; R274-E306 PolarHBondContact NH1-OE1 2.93Å; R274-E306 IonicContact NH2-OE1 2.7Å; S302-E306 PolarHBondContact O-N 2.89Å; E303-E306 PolarHBondContact O-N 3.28Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 3.07Å; E306-L310 PolarHBondContact O-N 3.25Å
307E86.1Confident77.3Confident59 Ų5956.2 Ų56.228%0.27628%0.279SS..Hα-helixtrans-66.3-38.8176.7-170.861.4-161.800111.4R131 R263 E303 E304 D305 L310 D311R131-E307 WeakPolarHBondContact CD-OE1 3.31Å; R131-E307 IonicContact CZ-OE1 3.47Å; R131-E307 IonicContact NE-OE1 2.72Å; R131-E307 PolarHBondContact NE-OE1 2.81Å; R131-E307 IonicContact NH2-OE1 3.95Å; R263-E307 IonicContact CZ-OE1 3.64Å; R263-E307 IonicContact NH1-OE1 2.72Å; R263-E307 IonicContact NH2-OE1 3.15Å; R263-E307 PolarHBondContact NH2-OE1 3.47Å; R263-E307 IonicContact NH2-OE2 3.51Å; E303-E307 PolarHBondContact O-N 3.4Å; E304-E307 PolarHBondContact O-N 2.89Å; D305-E307 VanDerWaalsContact C-N 3.34Å; E307-L310 PolarHBondContact O-N 3.05Å; E307-D311 WeakPolarHBondContact O-CB 3.46Å; E307-D311 PolarHBondContact O-N 3.14Å
308F84.8Confident77.6Confident18 Ų1851.5 Ų51.58%0.07925%0.25CC..Hα-helixtrans-63.3-41.5171.8-66.8-34.8000112.2T135 T145 E304 D305 L310 D311 N312T135-F308 HydrophobicContact CG2-CE1 3.97Å; T145-F308 HydrophobicContact CG2-CE1 4.3Å; T145-F308 HydrophobicContact CG2-CZ 4.04Å; E304-F308 HydrophobicContact CB-CE2 4.42Å; E304-F308 HydrophobicContact CG-CD2 4.4Å; E304-F308 HydrophobicContact CG-CE1 4.24Å; E304-F308 HydrophobicContact CG-CE2 3.67Å; E304-F308 HydrophobicContact CG-CZ 3.58Å; E304-F308 WeakPolarHBondContact O-CD2 3.36Å; E304-F308 VanDerWaalsContact O-CG 3.24Å; E304-F308 WeakPolarHBondContact O-CG 3.39Å; E304-F308 PolarHBondContact O-N 2.94Å; E304-F308 WeakPolarHBondContact OE1-CZ 3.32Å; D305-F308 PolarHBondContact O-N 3.02Å; F308-L310 VanDerWaalsContact C-N 3.31Å; F308-L310 PolarHBondContact O-N 3.45Å; F308-D311 PolarHBondContact O-N 2.97Å; F308-N312 WeakPolarHBondContact O-CB 3.27Å; F308-N312 PolarHBondContact O-N 3.25Å; F308-N312 PolarHBondContact O-ND2 3.38Å
309M84.2Confident78Confident23 Ų2351 Ų5111%0.11326%0.255CS..Hα-helixtrans-59.9-43.9175.1-77.9-174.970.300111.6I270 L288 I291 I292 D305 E306 N312 F313I270-M309 HydrophobicContact CD1-CB 4.23Å; I270-M309 HydrophobicContact CG2-CE 3.98Å; L288-M309 HydrophobicContact CD1-CE 3.93Å; I291-M309 HydrophobicContact CG2-CE 4.32Å; I292-M309 HydrophobicContact CD1-CE 4.14Å; I292-M309 HydrophobicContact CG1-CE 3.34Å; I292-M309 HydrophobicContact CG1-SD 4.5Å; D305-M309 WeakPolarHBondContact O-CG 3.14Å; D305-M309 PolarHBondContact O-N 3.23Å; E306-M309 WeakPolarHBondContact O-CB 3.48Å; E306-M309 PolarHBondContact O-N 3.07Å; M309-N312 PolarHBondContact O-N 2.95Å; M309-F313 PolarHBondContact O-N 2.71Å
310L89.8Confident78.9Confident19 Ų1942.3 Ų42.310%0.09922%0.222CC..Hα-helixtrans-66.2-41.1177.8-17956.1000112.6R263 A267 I270 E306 E307 F308 N312 F313 V314R263-L310 VanDerWaalsContact NH2-CD2 3.35Å; R263-L310 WeakPolarHBondContact O-CD1 3.42Å; A267-L310 HydrophobicContact CB-CD1 4.29Å; A267-L310 HydrophobicContact CB-CD2 4.19Å; I270-L310 HydrophobicContact CD1-CB 4.32Å; I270-L310 HydrophobicContact CD1-CD1 4.34Å; E306-L310 PolarHBondContact O-N 3.25Å; E307-L310 PolarHBondContact O-N 3.05Å; F308-L310 VanDerWaalsContact C-N 3.31Å; F308-L310 PolarHBondContact O-N 3.45Å; L310-N312 VanDerWaalsContact C-N 3.28Å; L310-N312 PolarHBondContact O-N 2.78Å; L310-F313 WeakPolarHBondContact O-CB 3.23Å; L310-F313 PolarHBondContact O-N 3.28Å; L310-V314 PolarHBondContact O-N 3.18Å; L310-V314 VanDerWaalsContact O-N 3.16Å
311D91.2Very high79.3Confident0 Ų035.2 Ų35.20%018%0.184CC..Hα-helixtrans-60.7-40.2174.8-75.9-16.7000111.8R131 I133 G134 T135 R263 E307 F308 T315R131-D311 IonicContact CZ-OD1 3.58Å; R131-D311 IonicContact CZ-OD2 3.14Å; R131-D311 IonicContact NE-OD1 2.67Å; R131-D311 PolarHBondContact NE-OD1 3.25Å; R131-D311 IonicContact NE-OD2 2.75Å; R131-D311 PolarHBondContact NE-OD2 3.29Å; R131-D311 IonicContact NH2-OD1 3.63Å; R131-D311 IonicContact NH2-OD2 2.78Å; R131-D311 PolarHBondContact NH2-OD2 2.99Å; I133-D311 WeakPolarHBondContact O-CB 3.17Å; G134-D311 WeakPolarHBondContact CA-OD1 3.25Å; G134-D311 WeakPolarHBondContact CA-OD2 3.24Å; T135-D311 PolarHBondContact N-OD2 3.41Å; R263-D311 IonicContact CZ-OD1 3.78Å; R263-D311 IonicContact NH1-OD1 3.88Å; R263-D311 PolarHBondContact NH1-OD1 3.47Å; R263-D311 IonicContact NH2-OD1 2.8Å; E307-D311 WeakPolarHBondContact O-CB 3.46Å; E307-D311 PolarHBondContact O-N 3.14Å; F308-D311 PolarHBondContact O-N 2.97Å; D311-T315 WeakPolarHBondContact O-CB 3.49Å; D311-T315 PolarHBondContact O-N 3.31Å; D311-T315 PolarHBondContact O-OG1 3.4Å
312N88.9Confident79.9Confident2 Ų232.8 Ų32.81%0.01117%0.172CC..Hα-helixtrans-73.9-33177.1-75.1-66.7000113.4G136 L137 Q149 M153 F308 M309 L310 V314 T315 F316G136-N312 WeakPolarHBondContact CA-OD1 3.19Å; L137-N312 WeakPolarHBondContact CD1-OD1 3.42Å; L137-N312 PolarHBondContact N-OD1 3.44Å; Q149-N312 PolarHBondContact OE1-ND2 2.84Å; M153-N312 HydrophobicContact CE-CB 3.43Å; M153-N312 VanDerWaalsContact CE-CB 3.43Å; M153-N312 WeakPolarHBondContact CE-ND2 3.48Å; M153-N312 HydrophobicContact SD-CB 4.07Å; F308-N312 WeakPolarHBondContact O-CB 3.27Å; F308-N312 PolarHBondContact O-N 3.25Å; F308-N312 PolarHBondContact O-ND2 3.38Å; M309-N312 PolarHBondContact O-N 2.95Å; L310-N312 VanDerWaalsContact C-N 3.28Å; L310-N312 PolarHBondContact O-N 2.78Å; N312-V314 PolarHBondContact O-N 2.93Å; N312-T315 CarbonylContact O-C 3.49Å; N312-T315 WeakPolarHBondContact O-CA 3.5Å; N312-T315 WeakPolarHBondContact O-CB 3.29Å; N312-T315 PolarHBondContact O-N 3.42Å; N312-T315 VanDerWaalsContact O-N 3.16Å; N312-F316 HydrophobicContact CB-CZ 4.48Å; N312-F316 WeakPolarHBondContact O-CD1 3.45Å; N312-F316 VanDerWaalsContact O-CG 3.29Å; N312-F316 WeakPolarHBondContact O-CG 3.22Å; N312-F316 PolarHBondContact O-N 3.13Å
313F88.9Confident80.5Confident3 Ų330.9 Ų30.91%0.01316%0.158CC..Hα-helixtrans-52.9-54.8169.6174.7-81.2000110.5F209 F222 W269 I270 M309 L310 T315 F316 F317F209-F313 AromaticContact CD1-CD2 3.7Å; F209-F313 HydrophobicContact CD1-CD2 3.7Å; F209-F313 AromaticContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD1-CE2 3.65Å; F209-F313 HydrophobicContact CD2-CE2 4.2Å; F209-F313 HydrophobicContact CE1-CB 4.47Å; F209-F313 AromaticContact CE1-CD2 3.13Å; F209-F313 HydrophobicContact CE1-CD2 3.13Å; F209-F313 AromaticContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CE2 3.52Å; F209-F313 HydrophobicContact CE1-CG 4.11Å; F209-F313 HydrophobicContact CE2-CD2 4.22Å; F209-F313 HydrophobicContact CE2-CE2 4.07Å; F209-F313 HydrophobicContact CG-CD2 4.43Å; F209-F313 AromaticContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CG-CE2 3.98Å; F209-F313 HydrophobicContact CZ-CB 4.48Å; F209-F313 AromaticContact CZ-CD2 3.4Å; F209-F313 HydrophobicContact CZ-CD2 3.4Å; F209-F313 AromaticContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CE2 3.7Å; F209-F313 HydrophobicContact CZ-CG 4.07Å; F222-F313 HydrophobicContact CZ-CE1 4.45Å; W269-F313 HydrophobicContact CB-CE2 4.34Å; W269-F313 HydrophobicContact CD2-CE2 4.12Å; W269-F313 HydrophobicContact CD2-CZ 4.09Å; W269-F313 AromaticContact CE3-CE2 3.45Å; W269-F313 HydrophobicContact CE3-CE2 3.45Å; W269-F313 VanDerWaalsContact CE3-CE2 3.45Å; W269-F313 AromaticContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CE3-CZ 3.6Å; W269-F313 HydrophobicContact CZ3-CE2 4.04Å; W269-F313 AromaticContact CZ3-CZ 3.9Å; W269-F313 HydrophobicContact CZ3-CZ 3.9Å; I270-F313 HydrophobicContact CD1-CB 4.17Å; M309-F313 PolarHBondContact O-N 2.71Å; L310-F313 WeakPolarHBondContact O-CB 3.23Å; L310-F313 PolarHBondContact O-N 3.28Å; F313-T315 VanDerWaalsContact C-N 3.27Å; F313-T315 PolarHBondContact O-N 2.81Å; F313-F316 PolarHBondContact O-N 2.77Å; F313-F317 HydrophobicContact CD1-CD2 4.17Å; F313-F317 HydrophobicContact CD1-CE2 4.17Å; F313-F317 HydrophobicContact CD2-CE2 4.32Å; F313-F317 AromaticContact CE1-CD2 3.81Å; F313-F317 HydrophobicContact CE1-CD2 3.81Å; F313-F317 AromaticContact CE1-CE2 3.58Å; F313-F317 HydrophobicContact CE1-CE2 3.58Å; F313-F317 AromaticContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CG-CE2 4.49Å; F313-F317 HydrophobicContact CZ-CD2 4.06Å; F313-F317 AromaticContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CZ 4.2Å; F313-F317 VanDerWaalsContact O-CD2 3.3Å; F313-F317 WeakPolarHBondContact O-CD2 3.42Å
314V89.9Confident81.4Confident1 Ų124.1 Ų24.11%0.00613%0.129CC..Hα-helixtrans-64.5-38179-174.10000110.1F132 I133 L262 R263 L310 N312 F316 F317 I318F132-V314 HydrophobicContact CD2-CG1 4.03Å; F132-V314 HydrophobicContact CE2-CG1 3.72Å; F132-V314 HydrophobicContact CZ-CG1 4.33Å; I133-V314 HydrophobicContact CG2-CB 4.11Å; I133-V314 HydrophobicContact CG2-CG1 3.69Å; L262-V314 HydrophobicContact CB-CG1 4.48Å; L262-V314 HydrophobicContact CD1-CG1 4.49Å; R263-V314 HydrophobicContact CG-CG2 3.81Å; L310-V314 PolarHBondContact O-N 3.18Å; L310-V314 VanDerWaalsContact O-N 3.16Å; N312-V314 PolarHBondContact O-N 2.93Å; V314-F316 VanDerWaalsContact C-N 3.31Å; V314-F316 PolarHBondContact O-N 2.93Å; V314-F317 PolarHBondContact O-N 2.93Å; V314-I318 HydrophobicContact CG1-CG1 3.99Å; V314-I318 VanDerWaalsContact O-CG1 3.3Å; V314-I318 WeakPolarHBondContact O-CG1 3.35Å; V314-I318 PolarHBondContact O-N 2.87Å
315T89.5Confident82.4Confident5 Ų518.3 Ų18.33%0.03110%0.102CC..Hα-helixtrans-58-40176.5-61.40000112.4V138 D311 N312 F313 F317 I318 A319V138-T315 HydrophobicContact CB-CG2 4.02Å; V138-T315 HydrophobicContact CG2-CG2 3.47Å; V138-T315 VanDerWaalsContact CG2-CG2 3.47Å; D311-T315 WeakPolarHBondContact O-CB 3.49Å; D311-T315 PolarHBondContact O-N 3.31Å; D311-T315 PolarHBondContact O-OG1 3.4Å; N312-T315 CarbonylContact O-C 3.49Å; N312-T315 WeakPolarHBondContact O-CA 3.5Å; N312-T315 WeakPolarHBondContact O-CB 3.29Å; N312-T315 PolarHBondContact O-N 3.42Å; N312-T315 VanDerWaalsContact O-N 3.16Å; F313-T315 VanDerWaalsContact C-N 3.27Å; F313-T315 PolarHBondContact O-N 2.81Å; T315-F317 VanDerWaalsContact C-N 3.3Å; T315-F317 PolarHBondContact O-N 2.69Å; T315-I318 PolarHBondContact O-N 3.27Å; T315-A319 HydrophobicContact CG2-CB 4.3Å; T315-A319 WeakPolarHBondContact O-CA 3.46Å; T315-A319 VanDerWaalsContact O-CB 3.23Å; T315-A319 WeakPolarHBondContact O-CB 3.24Å; T315-A319 PolarHBondContact O-N 3.18Å
316F87.1Confident83.3Confident23 Ų2317.5 Ų17.510%0.10110%0.097CC..Hα-helixtrans-66-31.1179-64.4-20000113.2M153 F157 F209 I291 N312 F313 V314 G320 L456M153-F316 HydrophobicContact SD-CE1 4.07Å; M153-F316 HydrophobicContact SD-CZ 3.58Å; M153-F316 VanDerWaalsContact SD-CZ 3.58Å; F157-F316 HydrophobicContact CE2-CE1 4.16Å; F157-F316 HydrophobicContact CE2-CE2 4.36Å; F157-F316 AromaticContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CE2-CZ 3.79Å; F157-F316 HydrophobicContact CZ-CD1 4.43Å; F157-F316 AromaticContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE1 3.98Å; F157-F316 HydrophobicContact CZ-CE2 4.27Å; F157-F316 AromaticContact CZ-CZ 3.89Å; F157-F316 HydrophobicContact CZ-CZ 3.89Å; F209-F316 HydrophobicContact CE1-CD2 4.45Å; F209-F316 HydrophobicContact CZ-CB 4.32Å; F209-F316 AromaticContact CZ-CD2 3.8Å; F209-F316 HydrophobicContact CZ-CD2 3.8Å; I291-F316 HydrophobicContact CD1-CE2 3.75Å; I291-F316 HydrophobicContact CD1-CZ 3.94Å; N312-F316 HydrophobicContact CB-CZ 4.48Å; N312-F316 WeakPolarHBondContact O-CD1 3.45Å; N312-F316 VanDerWaalsContact O-CG 3.29Å; N312-F316 WeakPolarHBondContact O-CG 3.22Å; N312-F316 PolarHBondContact O-N 3.13Å; F313-F316 PolarHBondContact O-N 2.77Å; V314-F316 VanDerWaalsContact C-N 3.31Å; V314-F316 PolarHBondContact O-N 2.93Å; F316-G320 WeakPolarHBondContact O-CA 3.35Å; F316-G320 PolarHBondContact O-N 3.11Å; F316-L456 HydrophobicContact CE1-CD2 4.34Å
317F84Confident84.1Confident2 Ų213.2 Ų13.21%0.0098%0.077CC..Hα-helixtrans-81.1-34.6176.1-72-70.1000113.3L201 I204 A205 F209 F222 I226 W269 F313 V314 T315L201-F317 HydrophobicContact CD1-CD1 3.47Å; L201-F317 VanDerWaalsContact CD1-CD1 3.47Å; L201-F317 HydrophobicContact CD1-CE1 3.67Å; I204-F317 HydrophobicContact CG2-CD1 3.96Å; I204-F317 HydrophobicContact CG2-CE1 3.87Å; A205-F317 HydrophobicContact CB-CE1 4.33Å; F209-F317 HydrophobicContact CD2-CE1 4.44Å; F209-F317 AromaticContact CD2-CE2 3.69Å; F209-F317 HydrophobicContact CD2-CE2 3.69Å; F209-F317 AromaticContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CD2-CZ 3.42Å; F209-F317 VanDerWaalsContact CD2-CZ 3.42Å; F209-F317 HydrophobicContact CE2-CD2 4.05Å; F209-F317 HydrophobicContact CE2-CE1 4.22Å; F209-F317 AromaticContact CE2-CE2 3.12Å; F209-F317 HydrophobicContact CE2-CE2 3.12Å; F209-F317 AromaticContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CE2-CZ 3.26Å; F209-F317 HydrophobicContact CZ-CD2 4.47Å; F209-F317 AromaticContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CE2 3.74Å; F209-F317 HydrophobicContact CZ-CZ 4.3Å; F222-F317 HydrophobicContact CE1-CB 4.25Å; F222-F317 AromaticContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD1 3.46Å; F222-F317 VanDerWaalsContact CE1-CD1 3.46Å; F222-F317 HydrophobicContact CE1-CD2 4.05Å; F222-F317 AromaticContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE1 3.62Å; F222-F317 HydrophobicContact CE1-CE2 4.22Å; F222-F317 AromaticContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CG 3.64Å; F222-F317 HydrophobicContact CE1-CZ 4Å; F222-F317 HydrophobicContact CZ-CB 4.46Å; F222-F317 HydrophobicContact CZ-CD1 4.02Å; F222-F317 AromaticContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CD2 3.73Å; F222-F317 HydrophobicContact CZ-CE1 4.1Å; F222-F317 AromaticContact CZ-CE2 3.86Å; F222-F317 HydrophobicContact CZ-CE2 3.86Å; F222-F317 AromaticContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CG 3.8Å; F222-F317 HydrophobicContact CZ-CZ 4.01Å; I226-F317 HydrophobicContact CD1-CB 3.89Å; I226-F317 HydrophobicContact CD1-CD1 4.44Å; I226-F317 HydrophobicContact CD1-CG 4.49Å; W269-F317 HydrophobicContact CH2-CZ 4.42Å; W269-F317 HydrophobicContact CZ3-CE2 4.38Å; W269-F317 AromaticContact CZ3-CZ 3.9Å; W269-F317 HydrophobicContact CZ3-CZ 3.9Å; F313-F317 HydrophobicContact CD1-CD2 4.17Å; F313-F317 HydrophobicContact CD1-CE2 4.17Å; F313-F317 HydrophobicContact CD2-CE2 4.32Å; F313-F317 AromaticContact CE1-CD2 3.81Å; F313-F317 HydrophobicContact CE1-CD2 3.81Å; F313-F317 AromaticContact CE1-CE2 3.58Å; F313-F317 HydrophobicContact CE1-CE2 3.58Å; F313-F317 AromaticContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CE2-CE2 3.74Å; F313-F317 HydrophobicContact CG-CE2 4.49Å; F313-F317 HydrophobicContact CZ-CD2 4.06Å; F313-F317 AromaticContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CE2 3.33Å; F313-F317 HydrophobicContact CZ-CZ 4.2Å; F313-F317 VanDerWaalsContact O-CD2 3.3Å; F313-F317 WeakPolarHBondContact O-CD2 3.42Å; V314-F317 PolarHBondContact O-N 2.93Å; T315-F317 VanDerWaalsContact C-N 3.3Å; T315-F317 PolarHBondContact O-N 2.69Å
318I82.9Confident84.6Confident10 Ų1010.9 Ų10.95%0.0517%0.066CC..Hα-helixtrans-80.5-38.8-179.3-61-56.9000112.3F132 I133 I226 C229 L230 I233 L262 V314 T315F132-I318 HydrophobicContact CE1-CD1 4.43Å; F132-I318 HydrophobicContact CE1-CG1 4.1Å; F132-I318 HydrophobicContact CE1-CG2 4.27Å; F132-I318 HydrophobicContact CE2-CD1 4.13Å; F132-I318 HydrophobicContact CE2-CG1 4.1Å; F132-I318 HydrophobicContact CZ-CB 4.47Å; F132-I318 HydrophobicContact CZ-CD1 3.47Å; F132-I318 VanDerWaalsContact CZ-CD1 3.47Å; F132-I318 HydrophobicContact CZ-CG1 3.41Å; F132-I318 VanDerWaalsContact CZ-CG1 3.41Å; F132-I318 HydrophobicContact CZ-CG2 4.3Å; I133-I318 HydrophobicContact CG2-CB 4.38Å; I133-I318 HydrophobicContact CG2-CG1 4.19Å; I226-I318 HydrophobicContact CB-CD1 4.28Å; I226-I318 HydrophobicContact CG1-CD1 4.11Å; I226-I318 HydrophobicContact CG2-CD1 3.92Å; C229-I318 HydrophobicContact CB-CD1 4.46Å; L230-I318 HydrophobicContact CD2-CG2 3.85Å; I233-I318 HydrophobicContact CD1-CG2 4.4Å; L262-I318 HydrophobicContact CD1-CD1 4.31Å; V314-I318 HydrophobicContact CG1-CG1 3.99Å; V314-I318 VanDerWaalsContact O-CG1 3.3Å; V314-I318 WeakPolarHBondContact O-CG1 3.35Å; V314-I318 PolarHBondContact O-N 2.87Å; T315-I318 PolarHBondContact O-N 3.27Å
319A78.1Confident85.1Confident45 Ų4510 Ų1037%0.3726%0.063SC..Hα-helixtrans-100.7-7.1-178.800000113.5V138 T315V138-A319 HydrophobicContact CG2-CB 3.98Å; T315-A319 HydrophobicContact CG2-CB 4.3Å; T315-A319 WeakPolarHBondContact O-CA 3.46Å; T315-A319 VanDerWaalsContact O-CB 3.23Å; T315-A319 WeakPolarHBondContact O-CB 3.24Å; T315-A319 PolarHBondContact O-N 3.18Å
320G69.1Low85.7Confident16 Ų169 Ų917%0.1656%0.057CC..SBendtrans-88-154.1-17800000114.2F316 Q322 T324F316-G320 WeakPolarHBondContact O-CA 3.35Å; F316-G320 PolarHBondContact O-N 3.11Å; G320-Q322 PolarHBondContact O-N 2.73Å; G320-T324 PolarHBondContact O-N 2.79Å; G320-T324 PolarHBondContact O-OG1 3.3Å
321S63.2Low86Confident3 Ų38 Ų82%0.0215%0.053CC..THydrogen-bonded Turntrans-66.2-33.7-158.8-670000116.2E323 T325 A326 F460 E464S321-E323 PolarHBondContact O-N 3.4Å; S321-T325 WeakPolarHBondContact CA-OG1 3.5Å; S321-T325 WeakPolarHBondContact O-CA 3.3Å; S321-T325 VanDerWaalsContact O-CB 3.3Å; S321-T325 WeakPolarHBondContact O-CB 3.3Å; S321-T325 PolarHBondContact O-N 2.82Å; S321-T325 PolarHBondContact OG-OG1 2.89Å; S321-A326 PolarHBondContact O-N 2.93Å; S321-F460 WeakPolarHBondContact OG-CE1 3.41Å; S321-E464 WeakPolarHBondContact CB-OE1 3.37Å; S321-E464 WeakPolarHBondContact CB-OE2 3.34Å; S321-E464 PolarHBondContact OG-OE1 2.8Å; S321-E464 PolarHBondContact OG-OE2 2.83Å
322Q68.1Low86.3Confident9 Ų98 Ų84%0.0425%0.053CC..THydrogen-bonded Turntrans-58-36.9-176.5-174.7-173-8.800113N197 T200 L201 G320 A326N197-Q322 PolarHBondContact OD1-O 3.22Å; T200-Q322 WeakPolarHBondContact OG1-CA 3.44Å; L201-Q322 HydrophobicContact CB-CB 4.03Å; L201-Q322 HydrophobicContact CB-CG 3.95Å; L201-Q322 HydrophobicContact CD1-CB 4.43Å; L201-Q322 VanDerWaalsContact CD2-OE1 3.23Å; G320-Q322 PolarHBondContact O-N 2.73Å; Q322-A326 WeakPolarHBondContact O-CB 3.43Å
323E77.8Confident86.6Confident7 Ų78 Ų83%0.0335%0.052CC..THydrogen-bonded Turntrans-110-21-171-71.9-80.2173.700112.2I226 L230 S321 N327 T493I226-E323 HydrophobicContact CG2-CG 4.18Å; L230-E323 HydrophobicContact CD1-CB 4.15Å; L230-E323 HydrophobicContact CD1-CG 3.4Å; S321-E323 PolarHBondContact O-N 3.4Å; E323-N327 PolarHBondContact O-ND2 2.98Å; E323-T493 HydrophobicContact CB-CG2 4.2Å; E323-T493 PolarHBondContact OE2-OG1 3.49Å
324T85.6Confident86.9Confident32 Ų328 Ų820%0.1965%0.053CC..THydrogen-bonded Turntrans-102.1-56178.258.60000111.6G320 Q328 T384 T493G320-T324 PolarHBondContact O-N 2.79Å; G320-T324 PolarHBondContact O-OG1 3.3Å; T324-Q328 WeakPolarHBondContact O-CB 3.39Å; T324-Q328 PolarHBondContact O-N 2.9Å; T324-Q328 VanDerWaalsContact O-N 3.13Å; T324-T384 WeakPolarHBondContact O-CG2 3.31Å; T324-T493 HydrophobicContact CG2-CG2 4.33Å
325T92.1Very high87.2Confident1 Ų18.1 Ų8.11%0.0065%0.053CC..Hα-helixtrans-67.4-44179.7-48.20000111.4T200 S321 N327 Q328 L329 A461 E464 A465T200-T325 HydrophobicContact CG2-CG2 4.45Å; S321-T325 WeakPolarHBondContact CA-OG1 3.5Å; S321-T325 WeakPolarHBondContact O-CA 3.3Å; S321-T325 VanDerWaalsContact O-CB 3.3Å; S321-T325 WeakPolarHBondContact O-CB 3.3Å; S321-T325 PolarHBondContact O-N 2.82Å; S321-T325 PolarHBondContact OG-OG1 2.89Å; T325-N327 PolarHBondContact O-N 3.29Å; T325-Q328 WeakPolarHBondContact O-CB 3.26Å; T325-Q328 PolarHBondContact O-N 2.76Å; T325-L329 HydrophobicContact CG2-CD1 3.99Å; T325-L329 HydrophobicContact CG2-CG 4.24Å; T325-L329 WeakPolarHBondContact O-CB 3.31Å; T325-L329 VanDerWaalsContact O-CG 3.3Å; T325-L329 WeakPolarHBondContact O-CG 3.47Å; T325-L329 PolarHBondContact O-N 3.28Å; T325-A461 WeakPolarHBondContact OG1-CB 3.49Å; T325-E464 WeakPolarHBondContact CB-OE2 3.5Å; T325-E464 HydrophobicContact CG2-CG 4.25Å; T325-E464 VanDerWaalsContact CG2-OE2 3.31Å; T325-E464 WeakPolarHBondContact CG2-OE2 3.23Å; T325-E464 PolarHBondContact OG1-OE2 3.32Å; T325-E464 VanDerWaalsContact OG1-OE2 3.06Å; T325-A465 HydrophobicContact CG2-CB 3.93Å
326A92Very high87.5Confident0 Ų07.9 Ų7.90%05%0.051CC..Hα-helixtrans-66.3-42.5-175.900000113.1V196 N197 T200 S321 Q322 Q328 L329 A330V196-A326 HydrophobicContact CG1-CB 3.94Å; N197-A326 HydrophobicContact CB-CB 4.46Å; N197-A326 WeakPolarHBondContact OD1-CB 3.39Å; T200-A326 HydrophobicContact CG2-CB 3.98Å; T200-A326 WeakPolarHBondContact OG1-CB 3.36Å; S321-A326 PolarHBondContact O-N 2.93Å; Q322-A326 WeakPolarHBondContact O-CB 3.43Å; A326-Q328 VanDerWaalsContact C-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.41Å; A326-L329 PolarHBondContact O-N 3.01Å; A326-A330 WeakPolarHBondContact O-CB 3.39Å; A326-A330 PolarHBondContact O-N 3.03Å
327N93.6Very high87.8Confident0 Ų08 Ų80%06%0.057CC..Hα-helixtrans-64.2-39174.1-74.3-34.9000111L193 E323 T325 A330 F331 T384 L494 R495L193-N327 WeakPolarHBondContact CD1-OD1 3.44Å; E323-N327 PolarHBondContact O-ND2 2.98Å; T325-N327 PolarHBondContact O-N 3.29Å; N327-A330 PolarHBondContact O-N 2.84Å; N327-F331 WeakPolarHBondContact O-CD2 3.49Å; N327-F331 WeakPolarHBondContact O-CG 3.48Å; N327-F331 PolarHBondContact O-N 3.32Å; N327-T384 HydrophobicContact CB-CG2 3.73Å; N327-L494 WeakPolarHBondContact CB-O 3.32Å; N327-R495 HydrophobicContact CB-CB 4.42Å; N327-R495 WeakPolarHBondContact OD1-CB 3.36Å
328Q95.7Very high88.1Confident10 Ų1014.1 Ų14.15%0.0478%0.08CC..Hα-helixtrans-59.7-47172.6178.1-171.1-2.300111.3T324 T325 A326 F331 C332 L375 T378 L379 T384T324-Q328 WeakPolarHBondContact O-CB 3.39Å; T324-Q328 PolarHBondContact O-N 2.9Å; T324-Q328 VanDerWaalsContact O-N 3.13Å; T325-Q328 WeakPolarHBondContact O-CB 3.26Å; T325-Q328 PolarHBondContact O-N 2.76Å; A326-Q328 VanDerWaalsContact C-N 3.32Å; A326-Q328 PolarHBondContact O-N 3.41Å; Q328-F331 PolarHBondContact O-N 3.25Å; Q328-C332 WeakPolarHBondContact O-CB 3.49Å; Q328-C332 PolarHBondContact O-N 2.84Å; Q328-L375 PolarHBondContact NE2-O 3.44Å; Q328-L375 VanDerWaalsContact NE2-O 3.09Å; Q328-T378 HydrophobicContact CG-CG2 4.25Å; Q328-T378 WeakPolarHBondContact O-CG2 3.24Å; Q328-L379 HydrophobicContact CB-CD2 4.06Å; Q328-L379 VanDerWaalsContact CD-CG 3.49Å; Q328-L379 HydrophobicContact CG-CD2 3.73Å; Q328-L379 HydrophobicContact CG-CG 3.87Å; Q328-T384 HydrophobicContact CB-CG2 4.22Å
329L96.4Very high88.7Confident0 Ų015.2 Ų15.20%08%0.084CC..Hα-helixtrans-63.6-41.9178.7-73.6174.8000111.9V196 T200 T325 A326 C332 I333 L375 A465 V468 M469V196-L329 HydrophobicContact CG1-CB 3.72Å; V196-L329 HydrophobicContact CG1-CD1 3.46Å; V196-L329 VanDerWaalsContact CG1-CD1 3.46Å; V196-L329 HydrophobicContact CG1-CG 4.23Å; T200-L329 HydrophobicContact CG2-CD1 4.22Å; T325-L329 HydrophobicContact CG2-CD1 3.99Å; T325-L329 HydrophobicContact CG2-CG 4.24Å; T325-L329 WeakPolarHBondContact O-CB 3.31Å; T325-L329 VanDerWaalsContact O-CG 3.3Å; T325-L329 WeakPolarHBondContact O-CG 3.47Å; T325-L329 PolarHBondContact O-N 3.28Å; A326-L329 PolarHBondContact O-N 3.01Å; L329-C332 VanDerWaalsContact O-CB 3.31Å; L329-C332 WeakPolarHBondContact O-CB 3.41Å; L329-C332 PolarHBondContact O-N 2.83Å; L329-C332 VanDerWaalsContact O-N 3.17Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.13Å; L329-I333 PolarHBondContact O-N 3.43Å; L329-L375 HydrophobicContact CD2-CD2 4.47Å; L329-A465 HydrophobicContact CD2-CB 3.95Å; L329-A465 HydrophobicContact CG-CB 4.41Å; L329-V468 HydrophobicContact CD1-CB 4.14Å; L329-V468 HydrophobicContact CD1-CG1 3.98Å; L329-M469 HydrophobicContact CD2-CG 3.31Å; L329-M469 HydrophobicContact CD2-SD 3.58Å; L329-M469 VanDerWaalsContact CD2-SD 3.58Å
330A95.7Very high89.5Confident0 Ų016.5 Ų16.50%09%0.089CC..Hα-helixtrans-61.6-46.3175.500000111.6L193 A326 N327 C332 I333 M334 P496 V500L193-A330 HydrophobicContact CB-CB 4.24Å; L193-A330 HydrophobicContact CD1-CB 3.6Å; L193-A330 HydrophobicContact CG-CB 4.49Å; A326-A330 WeakPolarHBondContact O-CB 3.39Å; A326-A330 PolarHBondContact O-N 3.03Å; N327-A330 PolarHBondContact O-N 2.84Å; A330-C332 VanDerWaalsContact C-N 3.29Å; A330-C332 PolarHBondContact O-N 3.23Å; A330-I333 PolarHBondContact O-N 2.96Å; A330-M334 WeakPolarHBondContact O-CB 3.23Å; A330-M334 PolarHBondContact O-N 3.44Å; A330-P496 HydrophobicContact CB-CG 4.07Å; A330-V500 HydrophobicContact CB-CG2 3.85Å
331F96.3Very high90.7Very high0 Ų021.2 Ų21.20%011%0.107CC..Hα-helixtrans-60.7-38.9172.7-74.5-57.8000112.3N327 Q328 M334 E335 T378 Y382 L488 L494 P496N327-F331 WeakPolarHBondContact O-CD2 3.49Å; N327-F331 WeakPolarHBondContact O-CG 3.48Å; N327-F331 PolarHBondContact O-N 3.32Å; Q328-F331 PolarHBondContact O-N 3.25Å; F331-M334 HydrophobicContact CD1-CE 3.67Å; F331-M334 HydrophobicContact CE1-CE 4.22Å; F331-M334 PolarHBondContact O-N 2.84Å; F331-E335 WeakPolarHBondContact O-CG 3.19Å; F331-E335 PolarHBondContact O-N 2.87Å; F331-T378 HydrophobicContact CB-CG2 3.61Å; F331-Y382 HydrophobicContact CB-CD2 3.82Å; F331-Y382 HydrophobicContact CB-CG 4.03Å; F331-Y382 AromaticContact CD1-CD1 3.76Å; F331-Y382 HydrophobicContact CD1-CD1 3.76Å; F331-Y382 AromaticContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CE1 4.19Å; F331-Y382 HydrophobicContact CD1-CE2 4.38Å; F331-Y382 AromaticContact CD1-CG 3.59Å; F331-Y382 HydrophobicContact CD1-CG 3.59Å; F331-Y382 AromaticContact CD2-CG 3.99Å; F331-Y382 HydrophobicContact CD2-CG 3.99Å; F331-Y382 AromaticContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CE1 4.18Å; F331-Y382 AromaticContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE2-CG 4.32Å; F331-Y382 HydrophobicContact CG-CD1 4.22Å; F331-Y382 AromaticContact CG-CD2 3.92Å; F331-Y382 HydrophobicContact CG-CD2 3.92Å; F331-Y382 AromaticContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CZ-CD1 4.11Å; F331-Y382 HydrophobicContact CZ-CG 4.32Å; F331-L488 HydrophobicContact CE1-CD2 3.41Å; F331-L488 VanDerWaalsContact CE1-CD2 3.41Å; F331-L488 HydrophobicContact CZ-CD2 3.43Å; F331-L488 VanDerWaalsContact CZ-CD2 3.43Å; F331-L494 HydrophobicContact CE2-CB 4.45Å; F331-L494 WeakPolarHBondContact CE2-O 3.47Å; F331-P496 HydrophobicContact CD1-CG 3.74Å; F331-P496 HydrophobicContact CE1-CB 4.17Å; F331-P496 HydrophobicContact CE1-CG 3.61Å; F331-P496 HydrophobicContact CG-CG 4.25Å; F331-P496 HydrophobicContact CZ-CG 4.04Å
332C97Very high92.4Very high0 Ų021.7 Ų21.70%011%0.109CC..Hα-helixtrans-61.6-49.3177.4-1680000111.2Q328 L329 A330 M334 E335 L336 L375 T378Q328-C332 WeakPolarHBondContact O-CB 3.49Å; Q328-C332 PolarHBondContact O-N 2.84Å; L329-C332 VanDerWaalsContact O-CB 3.31Å; L329-C332 WeakPolarHBondContact O-CB 3.41Å; L329-C332 PolarHBondContact O-N 2.83Å; L329-C332 VanDerWaalsContact O-N 3.17Å; A330-C332 VanDerWaalsContact C-N 3.29Å; A330-C332 PolarHBondContact O-N 3.23Å; C332-M334 VanDerWaalsContact C-N 3.3Å; C332-M334 PolarHBondContact O-N 3.22Å; C332-E335 PolarHBondContact O-N 3.45Å; C332-L336 WeakPolarHBondContact O-CB 3.39Å; C332-L336 VanDerWaalsContact O-CG 3.26Å; C332-L336 WeakPolarHBondContact O-CG 3.3Å; C332-L336 PolarHBondContact O-N 3.39Å; C332-L375 HydrophobicContact CB-CD2 4.41Å; C332-T378 HydrophobicContact CB-CG2 4.04Å
333I96.4Very high93.7Very high1 Ų122.6 Ų22.61%0.00511%0.114CC..Hα-helixtrans-59.2-43.9176.8-67.6163.3000110.4M192 V196 L329 A330 L336 A337 M469 L472 F478 V500M192-I333 HydrophobicContact CB-CD1 4.22Å; M192-I333 HydrophobicContact CE-CD1 3.83Å; M192-I333 HydrophobicContact CG-CG2 4.41Å; V196-I333 HydrophobicContact CG2-CD1 4.33Å; L329-I333 VanDerWaalsContact O-CG1 3.3Å; L329-I333 WeakPolarHBondContact O-CG1 3.13Å; L329-I333 PolarHBondContact O-N 3.43Å; A330-I333 PolarHBondContact O-N 2.96Å; I333-L336 PolarHBondContact O-N 3.19Å; I333-A337 WeakPolarHBondContact O-CB 3.45Å; I333-A337 PolarHBondContact O-N 2.89Å; I333-M469 HydrophobicContact CG1-CE 4.12Å; I333-M469 HydrophobicContact CG1-SD 4.06Å; I333-L472 HydrophobicContact CD1-CD2 3.81Å; I333-L472 HydrophobicContact CG1-CD2 3.84Å; I333-F478 HydrophobicContact CB-CE2 4.43Å; I333-F478 HydrophobicContact CG2-CD2 3.88Å; I333-F478 HydrophobicContact CG2-CE2 3.7Å; I333-F478 HydrophobicContact CG2-CZ 4.34Å; I333-F478 WeakPolarHBondContact O-CE2 3.47Å; I333-V500 HydrophobicContact CB-CG1 4.36Å; I333-V500 HydrophobicContact CG2-CG1 3.84Å
334M95Very high94.5Very high4 Ų427.6 Ų27.62%0.0214%0.141CC..Hα-helixtrans-62.1-44.4178.8-175.3-176.57400112.5A330 F331 C332 R338 L480 F486 P496 V500A330-M334 WeakPolarHBondContact O-CB 3.23Å; A330-M334 PolarHBondContact O-N 3.44Å; F331-M334 HydrophobicContact CD1-CE 3.67Å; F331-M334 HydrophobicContact CE1-CE 4.22Å; F331-M334 PolarHBondContact O-N 2.84Å; C332-M334 VanDerWaalsContact C-N 3.3Å; C332-M334 PolarHBondContact O-N 3.22Å; M334-R338 PolarHBondContact O-N 3.28Å; M334-L480 HydrophobicContact CG-CD1 4.16Å; M334-F486 HydrophobicContact CE-CD1 3.87Å; M334-F486 HydrophobicContact CG-CD1 3.63Å; M334-F486 HydrophobicContact CG-CE1 3.64Å; M334-F486 HydrophobicContact SD-CD1 3.63Å; M334-F486 HydrophobicContact SD-CE1 4.24Å; M334-F486 HydrophobicContact SD-CG 4.46Å; M334-P496 HydrophobicContact SD-CB 4.44Å; M334-V500 HydrophobicContact CB-CG2 4.3Å
335E95.3Very high95.1Very high2 Ų230.6 Ų30.61%0.00915%0.151CC..Hα-helixtrans-71.9-39.5178-71.7-56.6131.500112.5F331 C332 A337 R338 H339 Y382 F429F331-E335 WeakPolarHBondContact O-CG 3.19Å; F331-E335 PolarHBondContact O-N 2.87Å; C332-E335 PolarHBondContact O-N 3.45Å; E335-A337 VanDerWaalsContact C-N 3.33Å; E335-A337 PolarHBondContact O-N 3.46Å; E335-R338 WeakPolarHBondContact O-CB 3.23Å; E335-R338 PolarHBondContact O-N 3.03Å; E335-H339 PolarHBondContact O-CD2 3.4Å; E335-H339 PolarHBondContact O-N 3.46Å; E335-H339 IonicContact OE2-CD2 3.29Å; E335-H339 IonicContact OE2-NE2 3.58Å; E335-Y382 HydrophobicContact CG-CD2 4.45Å; E335-Y382 HydrophobicContact CG-CE2 3.65Å; E335-Y382 PolarHBondContact OE1-OH 3.07Å; E335-F429 HydrophobicContact CB-CD1 4.45Å; E335-F429 HydrophobicContact CB-CD2 3.97Å; E335-F429 HydrophobicContact CB-CE1 4.33Å; E335-F429 HydrophobicContact CB-CE2 3.84Å; E335-F429 HydrophobicContact CB-CG 4.3Å; E335-F429 HydrophobicContact CB-CZ 4.04Å; E335-F429 HydrophobicContact CG-CD2 3.78Å; E335-F429 HydrophobicContact CG-CE2 3.9Å; E335-F429 HydrophobicContact CG-CG 4.39Å
336L95.9Very high95.3Very high0 Ų030.5 Ų30.50%015%0.151CC..Hα-helixtrans-62.4-41.2176.5-73.4176.9000111.9C332 I333 R338 H339 I342 L343 V346 V374 M469 L473 F478C332-L336 WeakPolarHBondContact O-CB 3.39Å; C332-L336 VanDerWaalsContact O-CG 3.26Å; C332-L336 WeakPolarHBondContact O-CG 3.3Å; C332-L336 PolarHBondContact O-N 3.39Å; I333-L336 PolarHBondContact O-N 3.19Å; L336-R338 PolarHBondContact O-N 2.82Å; L336-H339 CarbonylContact O-C 3.52Å; L336-H339 PolarHBondContact O-N 2.59Å; L336-H339 VanDerWaalsContact O-N 3.15Å; L336-I342 HydrophobicContact CD2-CG2 3.79Å; L336-L343 HydrophobicContact CB-CD1 4.27Å; L336-L343 HydrophobicContact CD1-CD1 4.49Å; L336-V346 HydrophobicContact CD1-CG1 4.45Å; L336-V346 HydrophobicContact CD2-CG1 4.01Å; L336-V374 HydrophobicContact CD1-CG1 4.49Å; L336-V374 HydrophobicContact CD2-CG1 3.92Å; L336-V374 HydrophobicContact CG-CG1 4.3Å; L336-M469 HydrophobicContact CD1-CE 3.68Å; L336-L473 HydrophobicContact CD1-CD2 4.33Å; L336-F478 HydrophobicContact CB-CE2 4.28Å; L336-F478 HydrophobicContact CB-CZ 4.08Å; L336-F478 HydrophobicContact CD1-CZ 4.37Å
337A92.8Very high95.5Very high26 Ų2631.1 Ų31.122%0.21515%0.154CC..Hα-helixtrans-66.5-20.1175.600000113.4I333 E335 F478 L480I333-A337 WeakPolarHBondContact O-CB 3.45Å; I333-A337 PolarHBondContact O-N 2.89Å; E335-A337 VanDerWaalsContact C-N 3.33Å; E335-A337 PolarHBondContact O-N 3.46Å; A337-F478 HydrophobicContact CB-CD2 4.22Å; A337-F478 HydrophobicContact CB-CE2 4.09Å; A337-L480 HydrophobicContact CB-CB 4.43Å; A337-L480 HydrophobicContact CB-CD1 3.75Å; A337-L480 HydrophobicContact CB-CG 3.57Å
338R91.9Very high95.6Very high130 Ų13037.5 Ų37.549%0.49118%0.182SC..Hα-helixtrans-86.4-22.5175.3-175.3-179.2175.5-167.3-1.9112.7M334 E335 L336 P340 F486M334-R338 PolarHBondContact O-N 3.28Å; E335-R338 WeakPolarHBondContact O-CB 3.23Å; E335-R338 PolarHBondContact O-N 3.03Å; L336-R338 PolarHBondContact O-N 2.82Å; R338-P340 WeakPolarHBondContact O-CD 3.43Å; R338-F486 HydrophobicContact CB-CE1 4.35Å; R338-F486 HydrophobicContact CG-CZ 4.47Å
339H95.2Very high95.6Very high33 Ų3338.6 Ų38.615%0.15319%0.187CC..  trans-123.675.8-174.2-71.4-77.4000111.3E335 L336 E341 I342 L343E335-H339 PolarHBondContact O-CD2 3.4Å; E335-H339 PolarHBondContact O-N 3.46Å; E335-H339 IonicContact OE2-CD2 3.29Å; E335-H339 IonicContact OE2-NE2 3.58Å; L336-H339 CarbonylContact O-C 3.52Å; L336-H339 PolarHBondContact O-N 2.59Å; L336-H339 VanDerWaalsContact O-N 3.15Å; H339-E341 IonicContact CG-OE1 2.7Å; H339-E341 IonicContact ND1-OE1 3.89Å; H339-E341 PolarHBondContact ND1-OE1 3.41Å; H339-E341 PolarHBondContact O-N 2.73Å; H339-E341 VanDerWaalsContact O-N 3.15Å; H339-I342 HydrophobicContact CB-CB 4Å; H339-I342 HydrophobicContact CB-CD1 3.82Å; H339-I342 HydrophobicContact CB-CG1 4.05Å; H339-I342 PolarHBondContact O-N 3.33Å; H339-L343 PolarHBondContact O-N 2.86Å
340P93.6Very high95.6Very high73 Ų7338.6 Ų38.647%0.47419%0.187SC..Hα-helixtrans-53.3-35.6-179.8-25.734.7000113.3R338 I342 L343 D344R338-P340 WeakPolarHBondContact O-CD 3.43Å; P340-I342 VanDerWaalsContact C-N 3.31Å; P340-I342 PolarHBondContact O-N 3.46Å; P340-L343 PolarHBondContact O-N 3Å; P340-D344 WeakPolarHBondContact O-CB 3.32Å; P340-D344 VanDerWaalsContact O-CG 3.26Å; P340-D344 PolarHBondContact O-N 3.13Å
341E96.1Very high95.6Very high115 Ų11541.1 Ų41.154%0.53720%0.201SC..Hα-helixtrans-63.5-35.1178.269.5-72174.800113.2H339 K345H339-E341 IonicContact CG-OE1 2.7Å; H339-E341 IonicContact ND1-OE1 3.89Å; H339-E341 PolarHBondContact ND1-OE1 3.41Å; H339-E341 PolarHBondContact O-N 2.73Å; H339-E341 VanDerWaalsContact O-N 3.15Å; E341-K345 PolarHBondContact O-N 2.98Å
342I97Very high95.5Very high13 Ų1347 Ų477%0.06723%0.233CC..Hα-helixtrans-79-40.4176.6-63.5175.8000109.6L336 H339 P340 K345 V346 Y370 V374 F429 P431L336-I342 HydrophobicContact CD2-CG2 3.79Å; H339-I342 HydrophobicContact CB-CB 4Å; H339-I342 HydrophobicContact CB-CD1 3.82Å; H339-I342 HydrophobicContact CB-CG1 4.05Å; H339-I342 PolarHBondContact O-N 3.33Å; P340-I342 VanDerWaalsContact C-N 3.31Å; P340-I342 PolarHBondContact O-N 3.46Å; I342-K345 PolarHBondContact O-N 3.15Å; I342-V346 WeakPolarHBondContact O-CG1 3.17Å; I342-V346 PolarHBondContact O-N 3.47Å; I342-Y370 HydrophobicContact CG2-CE1 4.23Å; I342-V374 HydrophobicContact CG2-CG2 4.02Å; I342-F429 HydrophobicContact CD1-CD1 3.59Å; I342-F429 HydrophobicContact CD1-CE1 4.01Å; I342-F429 HydrophobicContact CG2-CE1 4.32Å; I342-P431 HydrophobicContact CD1-CG 4.09Å; I342-P431 HydrophobicContact CG2-CG 3.89Å
343L96.1Very high95.4Very high27 Ų2748.6 Ų48.614%0.14124%0.242CC..Hα-helixtrans-56.7-50.7174.8178.557.8000110.8L336 H339 P340 K345 V346 T347 L473 F478L336-L343 HydrophobicContact CB-CD1 4.27Å; L336-L343 HydrophobicContact CD1-CD1 4.49Å; H339-L343 PolarHBondContact O-N 2.86Å; P340-L343 PolarHBondContact O-N 3Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.19Å; L343-V346 VanDerWaalsContact O-CG1 3.28Å; L343-V346 WeakPolarHBondContact O-CG1 3.02Å; L343-V346 PolarHBondContact O-N 2.95Å; L343-T347 WeakPolarHBondContact O-CB 3.32Å; L343-T347 PolarHBondContact O-N 3.29Å; L343-T347 PolarHBondContact O-OG1 3.48Å; L343-L473 HydrophobicContact CD1-CD2 3.4Å; L343-L473 VanDerWaalsContact CD1-CD2 3.4Å; L343-F478 HydrophobicContact CD1-CE1 4.25Å; L343-F478 HydrophobicContact CD1-CZ 4.02Å
344D95.4Very high95.2Very high112 Ų11248.7 Ų48.760%0.59924%0.242SC*.Hα-helixtrans-59.5-41.6178.5-70.9-15.9000111.9P340 K348P340-D344 WeakPolarHBondContact O-CB 3.32Å; P340-D344 VanDerWaalsContact O-CG 3.26Å; P340-D344 PolarHBondContact O-N 3.13Å; D344-K348 WeakPolarHBondContact O-CB 3.4Å; D344-K348 PolarHBondContact O-N 3.34Å
345K96.6Very high94.9Very high95 Ų9549.9 Ų49.941%0.41326%0.256SS..Hα-helixtrans-66.5-42.9179.3-174.4174.5167.7-169.10112.3E341 I342 L343 E349 Y370 D432E341-K345 PolarHBondContact O-N 2.98Å; I342-K345 PolarHBondContact O-N 3.15Å; L343-K345 VanDerWaalsContact C-N 3.31Å; L343-K345 PolarHBondContact O-N 3.19Å; K345-E349 PolarHBondContact O-N 3.29Å; K345-Y370 HydrophobicContact CB-CD1 4.38Å; K345-Y370 HydrophobicContact CB-CE1 3.76Å; K345-Y370 HydrophobicContact CD-CD1 4.34Å; K345-Y370 HydrophobicContact CD-CD2 4.47Å; K345-Y370 HydrophobicContact CD-CE1 3.72Å; K345-Y370 HydrophobicContact CD-CE2 3.89Å; K345-Y370 VanDerWaalsContact CD-CZ 3.47Å; K345-Y370 VanDerWaalsContact CE-CE2 3.42Å; K345-Y370 HydrophobicContact CG-CD1 3.89Å; K345-Y370 HydrophobicContact CG-CE1 3.54Å; K345-Y370 HydrophobicContact CG-CE2 4.48Å; K345-Y370 HydrophobicContact CG-CG 4.49Å; K345-D432 IonicContact NZ-OD1 2.76Å; K345-D432 PolarHBondContact NZ-OD1 3.33Å; K345-D432 IonicContact NZ-OD2 3.13Å; K345-D432 PolarHBondContact NZ-OD2 2.99Å
346V96.8Very high94.5Very high0 Ų059 Ų590%030%0.301CS..Hα-helixtrans-73.9-36.7178.3710000112.1L336 I342 L343 K348 E349 V350 Y370 L371 V374 L473L336-V346 HydrophobicContact CD1-CG1 4.45Å; L336-V346 HydrophobicContact CD2-CG1 4.01Å; I342-V346 WeakPolarHBondContact O-CG1 3.17Å; I342-V346 PolarHBondContact O-N 3.47Å; L343-V346 VanDerWaalsContact O-CG1 3.28Å; L343-V346 WeakPolarHBondContact O-CG1 3.02Å; L343-V346 PolarHBondContact O-N 2.95Å; V346-K348 VanDerWaalsContact C-N 3.35Å; V346-E349 PolarHBondContact O-N 3.36Å; V346-V350 WeakPolarHBondContact O-CG2 3.38Å; V346-V350 PolarHBondContact O-N 2.86Å; V346-Y370 HydrophobicContact CB-CD1 3.77Å; V346-Y370 HydrophobicContact CB-CE1 4.01Å; V346-Y370 HydrophobicContact CG2-CD1 4.2Å; V346-L371 HydrophobicContact CG2-CB 3.82Å; V346-L371 HydrophobicContact CG2-CD1 3.82Å; V346-L371 HydrophobicContact CG2-CG 4.41Å; V346-V374 HydrophobicContact CB-CG2 4.44Å; V346-V374 HydrophobicContact CG2-CG2 4.41Å; V346-L473 HydrophobicContact CG1-CD1 3.87Å; V346-L473 HydrophobicContact CG1-CD2 4.28Å; V346-L473 HydrophobicContact CG2-CD1 3.95Å
347T95.8Very high94.1Very high12 Ų1263.3 Ų63.37%0.07432%0.32CS..Hα-helixtrans-62.3-44.4175.6-65.10000110.7L343 E349 V350 D351 R507L343-T347 WeakPolarHBondContact O-CB 3.32Å; L343-T347 PolarHBondContact O-N 3.29Å; L343-T347 PolarHBondContact O-OG1 3.48Å; T347-E349 PolarHBondContact O-N 3.02Å; T347-V350 WeakPolarHBondContact O-CB 3.09Å; T347-V350 PolarHBondContact O-N 2.94Å; T347-V350 VanDerWaalsContact O-N 3.12Å; T347-D351 VanDerWaalsContact O-CG 3.24Å; T347-D351 PolarHBondContact O-N 3.16Å; T347-R507 VanDerWaalsContact CG2-NH2 3.29Å
348K95.9Very high93.7Very high134 Ų13467.9 Ų67.958%0.58334%0.337SS*.Hα-helixtrans-59.7-42.4174.7-174.3176.2179.8178.60112.9D344 V346 V350 D351 D352D344-K348 WeakPolarHBondContact O-CB 3.4Å; D344-K348 PolarHBondContact O-N 3.34Å; V346-K348 VanDerWaalsContact C-N 3.35Å; K348-V350 VanDerWaalsContact C-N 3.32Å; K348-V350 PolarHBondContact O-N 2.98Å; K348-D351 PolarHBondContact O-N 3.37Å; K348-D352 WeakPolarHBondContact O-CB 3.25Å; K348-D352 VanDerWaalsContact O-CG 3.27Å; K348-D352 PolarHBondContact O-N 3.5Å
349E96.8Very high93.7Very high33 Ų3368.7 Ų68.715%0.15435%0.346CS..Hα-helixtrans-60.1-43.7174.1177.8-176.9-114.200111.6K345 V346 T347 D351 D352 V353 L368 V369 Y370 L371K345-E349 PolarHBondContact O-N 3.29Å; V346-E349 PolarHBondContact O-N 3.36Å; T347-E349 PolarHBondContact O-N 3.02Å; E349-D351 VanDerWaalsContact C-N 3.31Å; E349-D351 PolarHBondContact O-N 3.5Å; E349-D352 PolarHBondContact O-N 3.35Å; E349-V353 HydrophobicContact CG-CG2 4.3Å; E349-V353 WeakPolarHBondContact O-CB 3.37Å; E349-V353 WeakPolarHBondContact O-CG2 3.27Å; E349-V353 PolarHBondContact O-N 3.01Å; E349-L368 HydrophobicContact CG-CD2 4.22Å; E349-V369 PolarHBondContact OE1-N 3.06Å; E349-Y370 VanDerWaalsContact CD-N 3.29Å; E349-Y370 WeakPolarHBondContact OE1-CB 3.14Å; E349-Y370 PolarHBondContact OE1-N 2.67Å; E349-Y370 WeakPolarHBondContact OE2-CA 3.44Å; E349-Y370 WeakPolarHBondContact OE2-CB 3.13Å; E349-Y370 PolarHBondContact OE2-N 2.75Å; E349-Y370 VanDerWaalsContact OE2-N 3.09Å; E349-L371 PolarHBondContact OE2-N 2.81Å
350V96.3Very high93.6Very high0 Ų067.2 Ų67.20%034%0.339CS..Hα-helixtrans-61.9-41.7178.5169.90000110.7V346 T347 K348 I354 L368 A470 L473 Q474V346-V350 WeakPolarHBondContact O-CG2 3.38Å; V346-V350 PolarHBondContact O-N 2.86Å; T347-V350 WeakPolarHBondContact O-CB 3.09Å; T347-V350 PolarHBondContact O-N 2.94Å; T347-V350 VanDerWaalsContact O-N 3.12Å; K348-V350 VanDerWaalsContact C-N 3.32Å; K348-V350 PolarHBondContact O-N 2.98Å; V350-I354 HydrophobicContact CG1-CB 4.44Å; V350-I354 HydrophobicContact CG1-CG1 4.23Å; V350-I354 WeakPolarHBondContact O-CA 3.28Å; V350-I354 VanDerWaalsContact O-CB 3.23Å; V350-I354 WeakPolarHBondContact O-CB 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.94Å; V350-L368 HydrophobicContact CG2-CD2 4.12Å; V350-A470 WeakPolarHBondContact CG1-O 3.17Å; V350-L473 HydrophobicContact CG1-CB 4.41Å; V350-L473 HydrophobicContact CG2-CB 4.25Å; V350-L473 HydrophobicContact CG2-CD1 4.09Å; V350-Q474 HydrophobicContact CG1-CB 4Å
351D94.6Very high93.6Very high53 Ų5366 Ų6628%0.28333%0.333SS..Hα-helixtrans-64.4-45176.9-61.5-29.3000112.4T347 K348 E349 V353 G355 R507T347-D351 VanDerWaalsContact O-CG 3.24Å; T347-D351 PolarHBondContact O-N 3.16Å; K348-D351 PolarHBondContact O-N 3.37Å; E349-D351 VanDerWaalsContact C-N 3.31Å; E349-D351 PolarHBondContact O-N 3.5Å; D351-V353 VanDerWaalsContact C-N 3.32Å; D351-V353 PolarHBondContact O-N 3.13Å; D351-G355 WeakPolarHBondContact O-CA 3.45Å; D351-G355 PolarHBondContact O-N 2.82Å; D351-R507 IonicContact OD1-CZ 2.74Å; D351-R507 IonicContact OD1-NH1 2.72Å; D351-R507 PolarHBondContact OD1-NH1 3.26Å; D351-R507 IonicContact OD1-NH2 3.63Å; D351-R507 IonicContact OD2-CZ 3.09Å; D351-R507 IonicContact OD2-NH1 2.86Å; D351-R507 PolarHBondContact OD2-NH1 3.1Å; D351-R507 IonicContact OD2-NH2 2.93Å; D351-R507 PolarHBondContact OD2-NH2 3.31Å
352D94.9Very high93.4Very high125 Ų12563.7 Ų63.767%0.66832%0.32SS*.Hα-helixtrans-65.7-35.6-178.4-71.4-21.4000111.7K348 E349K348-D352 WeakPolarHBondContact O-CB 3.25Å; K348-D352 VanDerWaalsContact O-CG 3.27Å; K348-D352 PolarHBondContact O-N 3.5Å; E349-D352 PolarHBondContact O-N 3.35Å
353V94.6Very high93.3Very high32 Ų3268.2 Ų68.219%0.19434%0.344CS..Hα-helixtrans-91.1-45.7-175.2174.60000112.9E349 D351 D364 K367 L368E349-V353 HydrophobicContact CG-CG2 4.3Å; E349-V353 WeakPolarHBondContact O-CB 3.37Å; E349-V353 WeakPolarHBondContact O-CG2 3.27Å; E349-V353 PolarHBondContact O-N 3.01Å; D351-V353 VanDerWaalsContact C-N 3.32Å; D351-V353 PolarHBondContact O-N 3.13Å; V353-D364 HydrophobicContact CG1-CB 4.42Å; V353-K367 HydrophobicContact CG1-CB 3.61Å; V353-K367 HydrophobicContact CG1-CD 4.09Å; V353-K367 HydrophobicContact CG2-CB 4.02Å; V353-L368 HydrophobicContact CB-CD2 3.91Å; V353-L368 HydrophobicContact CG1-CD2 3.97Å; V353-L368 HydrophobicContact CG1-CG 4.26Å; V353-L368 HydrophobicContact CG2-CD2 4.29Å
354I93.1Very high93.2Very high3 Ų367.2 Ų67.22%0.01534%0.338CS..Hα-helixtrans-95.7-37.7-173.3-50-61.6000110.7V350 M356 K357 I360 D364 L368V350-I354 HydrophobicContact CG1-CB 4.44Å; V350-I354 HydrophobicContact CG1-CG1 4.23Å; V350-I354 WeakPolarHBondContact O-CA 3.28Å; V350-I354 VanDerWaalsContact O-CB 3.23Å; V350-I354 WeakPolarHBondContact O-CB 3.31Å; V350-I354 WeakPolarHBondContact O-CG1 3.4Å; V350-I354 PolarHBondContact O-N 2.94Å; I354-M356 PolarHBondContact O-N 2.89Å; I354-K357 HydrophobicContact CG2-CB 4.07Å; I354-K357 VanDerWaalsContact O-CB 3.29Å; I354-K357 WeakPolarHBondContact O-CB 3.27Å; I354-K357 VanDerWaalsContact O-CG 3.26Å; I354-K357 WeakPolarHBondContact O-CG 3.3Å; I354-K357 PolarHBondContact O-N 3.31Å; I354-K357 VanDerWaalsContact O-N 3.07Å; I354-I360 HydrophobicContact CD1-CD1 4.42Å; I354-I360 HydrophobicContact CD1-CG1 4.32Å; I354-I360 HydrophobicContact CD1-CG2 4.07Å; I354-I360 HydrophobicContact CG2-CD1 4.42Å; I354-I360 HydrophobicContact CG2-CG1 4.16Å; I354-D364 HydrophobicContact CD1-CB 3.78Å; I354-L368 HydrophobicContact CD1-CD1 4.22Å; I354-L368 HydrophobicContact CD1-CD2 4.47Å; I354-L368 HydrophobicContact CG1-CD2 4.26Å
355G88.6Confident93.1Very high30 Ų3062 Ų6231%0.30931%0.311SS..THydrogen-bonded Turntrans54.9-124.5-177.300000111.6D351 Q474D351-G355 WeakPolarHBondContact O-CA 3.45Å; D351-G355 PolarHBondContact O-N 2.82Å; G355-Q474 PolarHBondContact O-NE2 2.82Å
356M86Confident92.9Very high192 Ų19260.1 Ų60.195%0.94632%0.318SS*.THydrogen-bonded Turntrans-95.611.2179-64.3-66.1-175.800113.8I354 Q358I354-M356 PolarHBondContact O-N 2.89Å; M356-Q358 PolarHBondContact O-N 3.29Å
357K88.5Confident92.8Very high92 Ų9265.6 Ų65.640%0.434%0.342SS..  trans-64.9129.4-179.6-69.9173.9177.5175.70110.7I354 D364 Q474I354-K357 HydrophobicContact CG2-CB 4.07Å; I354-K357 VanDerWaalsContact O-CB 3.29Å; I354-K357 WeakPolarHBondContact O-CB 3.27Å; I354-K357 VanDerWaalsContact O-CG 3.26Å; I354-K357 WeakPolarHBondContact O-CG 3.3Å; I354-K357 PolarHBondContact O-N 3.31Å; I354-K357 VanDerWaalsContact O-N 3.07Å; K357-D364 VanDerWaalsContact NZ-CG 3.28Å; K357-D364 IonicContact NZ-OD1 3.31Å; K357-D364 PolarHBondContact NZ-OD1 3.33Å; K357-D364 IonicContact NZ-OD2 3.96Å; K357-D364 PolarHBondContact NZ-OD2 3.5Å; K357-Q474 PolarHBondContact O-NE2 2.93Å
358Q83.9Confident92.8Very high122 Ų12265 Ų6557%0.5734%0.338SS*.SBendtrans-81-39172.5-167.2171.99.800111.7E174 M356 K471E174-Q358 PolarHBondContact OE1-NE2 3.06Å; M356-Q358 PolarHBondContact O-N 3.29Å; Q358-K471 PolarHBondContact O-NZ 2.91Å
359E91.1Very high92.8Very high147 Ų14761.6 Ų61.669%0.68733%0.328SS*.SBendtrans-98.1122.8175.8-66.2-164.3158.600111.3
360I93.6Very high92.8Very high1 Ų160.8 Ų60.81%0.00532%0.324CS..PPolyproline II helixtrans-89.3119.1176.2-58.4-178.1000108.6M166 N170 I354 D364 L365 A470 K471M166-I360 WeakPolarHBondContact CE-O 3.31Å; N170-I360 PolarHBondContact ND2-O 3.18Å; N170-I360 PolarHBondContact OD1-N 3Å; I354-I360 HydrophobicContact CD1-CD1 4.42Å; I354-I360 HydrophobicContact CD1-CG1 4.32Å; I354-I360 HydrophobicContact CD1-CG2 4.07Å; I354-I360 HydrophobicContact CG2-CD1 4.42Å; I354-I360 HydrophobicContact CG2-CG1 4.16Å; I360-D364 HydrophobicContact CG2-CB 4.19Å; I360-L365 HydrophobicContact CG2-CD2 3.5Å; I360-L365 VanDerWaalsContact CG2-CD2 3.5Å; I360-L365 HydrophobicContact CG2-CG 4.1Å; I360-A470 HydrophobicContact CD1-CB 3.64Å; I360-K471 HydrophobicContact CD1-CG 3.81Å
361S93.8Very high92.9Very high49 Ų4960.8 Ų60.834%0.34332%0.324SS..PPolyproline II helixtrans-79.8161.9174.874.60000111.6D363 D364 L365S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 PolarHBondContact O-N 3Å; S361-D364 PolarHBondContact N-OD2 2.92Å; S361-D364 PolarHBondContact O-N 3.49Å; S361-D364 PolarHBondContact OG-N 2.93Å; S361-D364 PolarHBondContact OG-OD2 2.9Å; S361-L365 PolarHBondContact O-N 3.07Å
362Y92.9Very high93Very high66 Ų6659.3 Ų59.326%0.25932%0.317SS..Hα-helixtrans-60.9-36174.6178.8-92.5000112.7T159 R163 D364 L365 G366 M463T159-Y362 HydrophobicContact CG2-CE1 4.48Å; T159-Y362 HydrophobicContact CG2-CE2 4.05Å; T159-Y362 VanDerWaalsContact CG2-OH 3.27Å; T159-Y362 WeakPolarHBondContact CG2-OH 3.01Å; R163-Y362 HydrophobicContact CG-CD1 3.92Å; R163-Y362 HydrophobicContact CG-CD2 3.7Å; R163-Y362 HydrophobicContact CG-CE1 4.43Å; R163-Y362 HydrophobicContact CG-CE2 4.24Å; R163-Y362 HydrophobicContact CG-CG 3.51Å; Y362-D364 VanDerWaalsContact C-N 3.3Å; Y362-D364 PolarHBondContact O-N 3.25Å; Y362-L365 HydrophobicContact CD2-CD1 4.49Å; Y362-L365 WeakPolarHBondContact O-CB 3.33Å; Y362-L365 PolarHBondContact O-N 3.46Å; Y362-G366 PolarHBondContact O-N 2.92Å; Y362-M463 HydrophobicContact CD2-CE 3.88Å; Y362-M463 HydrophobicContact CD2-SD 4.27Å; Y362-M463 HydrophobicContact CE2-CE 3.34Å; Y362-M463 HydrophobicContact CE2-CG 4.37Å; Y362-M463 HydrophobicContact CE2-SD 4.22Å
363D93.3Very high93.1Very high107 Ų10753.6 Ų53.657%0.57229%0.287SS*.Hα-helixtrans-69.4-32.3-179.1-65.2-23.6000111.5S361 G366 K367S361-D363 VanDerWaalsContact C-N 3.26Å; S361-D363 PolarHBondContact O-N 3Å; D363-G366 PolarHBondContact O-N 3.49Å; D363-K367 PolarHBondContact O-N 3.28Å
364D94Very high93.2Very high6 Ų652.1 Ų52.13%0.03228%0.278CS..Hα-helixtrans-65.4-39.1172.5-63-40.9000111.1V353 I354 K357 I360 S361 Y362 G366 K367 L368V353-D364 HydrophobicContact CG1-CB 4.42Å; I354-D364 HydrophobicContact CD1-CB 3.78Å; K357-D364 VanDerWaalsContact NZ-CG 3.28Å; K357-D364 IonicContact NZ-OD1 3.31Å; K357-D364 PolarHBondContact NZ-OD1 3.33Å; K357-D364 IonicContact NZ-OD2 3.96Å; K357-D364 PolarHBondContact NZ-OD2 3.5Å; I360-D364 HydrophobicContact CG2-CB 4.19Å; S361-D364 PolarHBondContact N-OD2 2.92Å; S361-D364 PolarHBondContact O-N 3.49Å; S361-D364 PolarHBondContact OG-N 2.93Å; S361-D364 PolarHBondContact OG-OD2 2.9Å; Y362-D364 VanDerWaalsContact C-N 3.3Å; Y362-D364 PolarHBondContact O-N 3.25Å; D364-G366 PolarHBondContact O-N 3.36Å; D364-K367 PolarHBondContact O-N 3Å; D364-K367 IonicContact OD1-NZ 3.16Å; D364-L368 PolarHBondContact O-N 2.89Å
365L93.5Very high93.4Very high4 Ų452.4 Ų52.42%0.02128%0.279CS..Hα-helixtrans-59.8-28.7173.7-58.3-176.2000113.2M166 I360 S361 Y362 K367 L368 M463 K466 V467M166-L365 HydrophobicContact CE-CD1 3.85Å; M166-L365 HydrophobicContact CE-CG 4.4Å; M166-L365 HydrophobicContact SD-CD1 4.05Å; I360-L365 HydrophobicContact CG2-CD2 3.5Å; I360-L365 VanDerWaalsContact CG2-CD2 3.5Å; I360-L365 HydrophobicContact CG2-CG 4.1Å; S361-L365 PolarHBondContact O-N 3.07Å; Y362-L365 HydrophobicContact CD2-CD1 4.49Å; Y362-L365 WeakPolarHBondContact O-CB 3.33Å; Y362-L365 PolarHBondContact O-N 3.46Å; L365-K367 VanDerWaalsContact C-N 3.32Å; L365-L368 HydrophobicContact CD2-CD1 4.35Å; L365-M463 HydrophobicContact CD1-CB 4.18Å; L365-M463 HydrophobicContact CD1-CG 4.15Å; L365-K466 HydrophobicContact CB-CD 4.21Å; L365-K466 HydrophobicContact CD2-CB 3.8Å; L365-K466 PolarHBondContact O-NZ 3.24Å; L365-V467 HydrophobicContact CD1-CG2 4.1Å; L365-V467 HydrophobicContact CD2-CG2 3.88Å
366G92.6Very high93.8Very high54 Ų5454.3 Ų54.356%0.55728%0.279SS*.Hα-helixtrans-69.8-28.8176.100000113.3Y362 D363 D364Y362-G366 PolarHBondContact O-N 2.92Å; D363-G366 PolarHBondContact O-N 3.49Å; D364-G366 PolarHBondContact O-N 3.36Å
367K95.4Very high94.3Very high116 Ų11645.2 Ų45.250%0.50423%0.234SC..Hα-helixtrans-84.7-20-179.4-62.8170.7-171165.70113.5V353 D363 D364 L365 V369V353-K367 HydrophobicContact CG1-CB 3.61Å; V353-K367 HydrophobicContact CG1-CD 4.09Å; V353-K367 HydrophobicContact CG2-CB 4.02Å; D363-K367 PolarHBondContact O-N 3.28Å; D364-K367 PolarHBondContact O-N 3Å; D364-K367 IonicContact OD1-NZ 3.16Å; L365-K367 VanDerWaalsContact C-N 3.32Å; K367-V369 PolarHBondContact O-N 3.33Å
368L95.9Very high94.7Very high0 Ų040.8 Ų40.80%022%0.215CC..  trans-74.768.6174.9-63175.5000111.2E349 V350 V353 I354 D364 L365 L371 S372 A470E349-L368 HydrophobicContact CG-CD2 4.22Å; V350-L368 HydrophobicContact CG2-CD2 4.12Å; V353-L368 HydrophobicContact CB-CD2 3.91Å; V353-L368 HydrophobicContact CG1-CD2 3.97Å; V353-L368 HydrophobicContact CG1-CG 4.26Å; V353-L368 HydrophobicContact CG2-CD2 4.29Å; I354-L368 HydrophobicContact CD1-CD1 4.22Å; I354-L368 HydrophobicContact CD1-CD2 4.47Å; I354-L368 HydrophobicContact CG1-CD2 4.26Å; D364-L368 PolarHBondContact O-N 2.89Å; L365-L368 HydrophobicContact CD2-CD1 4.35Å; L368-L371 HydrophobicContact CB-CB 4.14Å; L368-L371 HydrophobicContact CB-CD2 4.38Å; L368-L371 HydrophobicContact CD1-CD2 3.95Å; L368-S372 PolarHBondContact O-N 2.98Å; L368-S372 PolarHBondContact O-OG 3.24Å; L368-A470 HydrophobicContact CD1-CB 3.85Å
369V95.8Very high95.2Very high61 Ų6135.3 Ų35.337%0.3719%0.19SC..Hα-helixtrans-76-43.4-172.2178.40000110.9E349 K367 S372 Q373 P436E349-V369 PolarHBondContact OE1-N 3.06Å; K367-V369 PolarHBondContact O-N 3.33Å; V369-S372 VanDerWaalsContact O-CB 3.25Å; V369-S372 WeakPolarHBondContact O-CB 3.1Å; V369-S372 PolarHBondContact O-N 3.18Å; V369-Q373 WeakPolarHBondContact O-CG 3.42Å; V369-Q373 PolarHBondContact O-N 3.29Å; V369-Q373 VanDerWaalsContact O-N 3.14Å; V369-P436 HydrophobicContact CG1-CG 4.09Å
370Y97.3Very high95.5Very high17 Ų1728.5 Ų28.57%0.06716%0.158CC..Hα-helixtrans-71.6-40.5178.7-168-111.6000111.9I342 K345 V346 E349 S372 Q373 V374 P431 D432I342-Y370 HydrophobicContact CG2-CE1 4.23Å; K345-Y370 HydrophobicContact CB-CD1 4.38Å; K345-Y370 HydrophobicContact CB-CE1 3.76Å; K345-Y370 HydrophobicContact CD-CD1 4.34Å; K345-Y370 HydrophobicContact CD-CD2 4.47Å; K345-Y370 HydrophobicContact CD-CE1 3.72Å; K345-Y370 HydrophobicContact CD-CE2 3.89Å; K345-Y370 VanDerWaalsContact CD-CZ 3.47Å; K345-Y370 VanDerWaalsContact CE-CE2 3.42Å; K345-Y370 HydrophobicContact CG-CD1 3.89Å; K345-Y370 HydrophobicContact CG-CE1 3.54Å; K345-Y370 HydrophobicContact CG-CE2 4.48Å; K345-Y370 HydrophobicContact CG-CG 4.49Å; V346-Y370 HydrophobicContact CB-CD1 3.77Å; V346-Y370 HydrophobicContact CB-CE1 4.01Å; V346-Y370 HydrophobicContact CG2-CD1 4.2Å; E349-Y370 VanDerWaalsContact CD-N 3.29Å; E349-Y370 WeakPolarHBondContact OE1-CB 3.14Å; E349-Y370 PolarHBondContact OE1-N 2.67Å; E349-Y370 WeakPolarHBondContact OE2-CA 3.44Å; E349-Y370 WeakPolarHBondContact OE2-CB 3.13Å; E349-Y370 PolarHBondContact OE2-N 2.75Å; E349-Y370 VanDerWaalsContact OE2-N 3.09Å; Y370-S372 PolarHBondContact O-N 3.27Å; Y370-Q373 HydrophobicContact CD2-CB 4.44Å; Y370-Q373 WeakPolarHBondContact O-CA 3.06Å; Y370-Q373 VanDerWaalsContact O-CB 3.27Å; Y370-Q373 WeakPolarHBondContact O-CB 3.44Å; Y370-Q373 PolarHBondContact O-N 2.8Å; Y370-V374 HydrophobicContact CD1-CG2 4.22Å; Y370-V374 HydrophobicContact CE1-CG2 3.97Å; Y370-V374 WeakPolarHBondContact O-CG2 3.29Å; Y370-V374 PolarHBondContact O-N 3.3Å; Y370-P431 HydrophobicContact CE2-CB 3.83Å; Y370-D432 WeakPolarHBondContact CE2-OD1 3.36Å
371L97.4Very high95.5Very high0 Ų028.8 Ų28.80%016%0.159CC..Hα-helixtrans-57.5-37.4169.918061.2000111.5V346 E349 L368 Q373 V374 L375 K466 M469 A470 L473V346-L371 HydrophobicContact CG2-CB 3.82Å; V346-L371 HydrophobicContact CG2-CD1 3.82Å; V346-L371 HydrophobicContact CG2-CG 4.41Å; E349-L371 PolarHBondContact OE2-N 2.81Å; L368-L371 HydrophobicContact CB-CB 4.14Å; L368-L371 HydrophobicContact CB-CD2 4.38Å; L368-L371 HydrophobicContact CD1-CD2 3.95Å; L371-Q373 VanDerWaalsContact C-N 3.28Å; L371-Q373 PolarHBondContact O-N 3.44Å; L371-V374 PolarHBondContact O-N 2.75Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CG 4.37Å; L371-L375 HydrophobicContact CG-CD1 4.24Å; L371-L375 WeakPolarHBondContact O-CB 3.19Å; L371-L375 VanDerWaalsContact O-CG 3.32Å; L371-L375 WeakPolarHBondContact O-CG 3.09Å; L371-L375 PolarHBondContact O-N 2.83Å; L371-K466 HydrophobicContact CD2-CB 4.4Å; L371-K466 HydrophobicContact CD2-CG 4.38Å; L371-M469 HydrophobicContact CD1-CB 3.88Å; L371-M469 HydrophobicContact CD1-CG 4.49Å; L371-M469 HydrophobicContact CD2-CB 4.22Å; L371-A470 HydrophobicContact CD2-CB 4.25Å; L371-L473 HydrophobicContact CD1-CD1 4.16Å
372S96.8Very high95.5Very high21 Ų2127.4 Ų27.415%0.14715%0.146CC..Hα-helixtrans-63.6-34.2173.5-54.20000112.8L368 V369 Y370 K376 K466L368-S372 PolarHBondContact O-N 2.98Å; L368-S372 PolarHBondContact O-OG 3.24Å; V369-S372 VanDerWaalsContact O-CB 3.25Å; V369-S372 WeakPolarHBondContact O-CB 3.1Å; V369-S372 PolarHBondContact O-N 3.18Å; Y370-S372 PolarHBondContact O-N 3.27Å; S372-K376 WeakPolarHBondContact O-CD 3.4Å; S372-K376 WeakPolarHBondContact O-CG 3.13Å; S372-K376 PolarHBondContact O-N 3.34Å; S372-K466 WeakPolarHBondContact OG-CE 3.05Å; S372-K466 PolarHBondContact OG-NZ 3.03Å
373Q96.4Very high95.5Very high6 Ų624.3 Ų24.33%0.02813%0.134CC..Hα-helixtrans-69.8-47.5176.6-69.7173.758.500110.8V369 Y370 L371 L375 K376 E377 P431 F434V369-Q373 WeakPolarHBondContact O-CG 3.42Å; V369-Q373 PolarHBondContact O-N 3.29Å; V369-Q373 VanDerWaalsContact O-N 3.14Å; Y370-Q373 HydrophobicContact CD2-CB 4.44Å; Y370-Q373 WeakPolarHBondContact O-CA 3.06Å; Y370-Q373 VanDerWaalsContact O-CB 3.27Å; Y370-Q373 WeakPolarHBondContact O-CB 3.44Å; Y370-Q373 PolarHBondContact O-N 2.8Å; L371-Q373 VanDerWaalsContact C-N 3.28Å; L371-Q373 PolarHBondContact O-N 3.44Å; Q373-L375 PolarHBondContact O-N 3.29Å; Q373-K376 PolarHBondContact O-N 3.18Å; Q373-K376 VanDerWaalsContact O-N 3.13Å; Q373-E377 PolarHBondContact O-N 3.46Å; Q373-P431 HydrophobicContact CB-CB 4.01Å; Q373-P431 WeakPolarHBondContact CB-O 3.15Å; Q373-P431 PolarHBondContact OE1-O 3.5Å; Q373-F434 HydrophobicContact CB-CB 4.27Å; Q373-F434 HydrophobicContact CG-CB 4.12Å
374V97.8Very high95.4Very high0 Ų019.6 Ų19.60%011%0.11CC..Hα-helixtrans-55.3-51.2175.2175.40000110.2L336 I342 V346 Y370 L371 K376 E377 T378 F429 P431L336-V374 HydrophobicContact CD1-CG1 4.49Å; L336-V374 HydrophobicContact CD2-CG1 3.92Å; L336-V374 HydrophobicContact CG-CG1 4.3Å; I342-V374 HydrophobicContact CG2-CG2 4.02Å; V346-V374 HydrophobicContact CB-CG2 4.44Å; V346-V374 HydrophobicContact CG2-CG2 4.41Å; Y370-V374 HydrophobicContact CD1-CG2 4.22Å; Y370-V374 HydrophobicContact CE1-CG2 3.97Å; Y370-V374 WeakPolarHBondContact O-CG2 3.29Å; Y370-V374 PolarHBondContact O-N 3.3Å; L371-V374 PolarHBondContact O-N 2.75Å; V374-K376 VanDerWaalsContact C-N 3.27Å; V374-K376 PolarHBondContact O-N 3.5Å; V374-E377 PolarHBondContact O-N 3.36Å; V374-T378 PolarHBondContact O-N 3.45Å; V374-T378 PolarHBondContact O-OG1 3.29Å; V374-F429 HydrophobicContact CG1-CE1 4.41Å; V374-F429 HydrophobicContact CG1-CZ 4.03Å; V374-P431 HydrophobicContact CG2-CB 4.01Å; V374-P431 HydrophobicContact CG2-CG 3.8Å
375L97.2Very high95.3Very high10 Ų1021.3 Ų21.35%0.05212%0.124CC..Hα-helixtrans-61.7-32.3179.7-72.3173.9000113.4Q328 L329 C332 L371 Q373 L379 A465 K466 M469Q328-L375 PolarHBondContact NE2-O 3.44Å; Q328-L375 VanDerWaalsContact NE2-O 3.09Å; L329-L375 HydrophobicContact CD2-CD2 4.47Å; C332-L375 HydrophobicContact CB-CD2 4.41Å; L371-L375 HydrophobicContact CD1-CD1 4.49Å; L371-L375 HydrophobicContact CD1-CG 4.37Å; L371-L375 HydrophobicContact CG-CD1 4.24Å; L371-L375 WeakPolarHBondContact O-CB 3.19Å; L371-L375 VanDerWaalsContact O-CG 3.32Å; L371-L375 WeakPolarHBondContact O-CG 3.09Å; L371-L375 PolarHBondContact O-N 2.83Å; Q373-L375 PolarHBondContact O-N 3.29Å; L375-L379 PolarHBondContact O-N 3.46Å; L375-A465 HydrophobicContact CD1-CB 4.05Å; L375-A465 HydrophobicContact CD2-CB 4.31Å; L375-K466 HydrophobicContact CD1-CG 3.79Å; L375-M469 HydrophobicContact CD2-CG 4.22Å
376K96.2Very high95.1Very high70 Ų7021.7 Ų21.730%0.30413%0.127SC..Hα-helixtrans-73.2-42.2175.4-75.4169.3-175.8173.80111.8S372 Q373 V374 T378 L379 R380 F434 Y445S372-K376 WeakPolarHBondContact O-CD 3.4Å; S372-K376 WeakPolarHBondContact O-CG 3.13Å; S372-K376 PolarHBondContact O-N 3.34Å; Q373-K376 PolarHBondContact O-N 3.18Å; Q373-K376 VanDerWaalsContact O-N 3.13Å; V374-K376 VanDerWaalsContact C-N 3.27Å; V374-K376 PolarHBondContact O-N 3.5Å; K376-T378 VanDerWaalsContact C-N 3.3Å; K376-T378 PolarHBondContact O-N 3.26Å; K376-L379 PolarHBondContact O-N 3.35Å; K376-L379 VanDerWaalsContact O-N 3.12Å; K376-R380 PolarHBondContact O-N 2.83Å; K376-F434 HydrophobicContact CB-CB 4.25Å; K376-F434 HydrophobicContact CB-CD1 3.97Å; K376-F434 HydrophobicContact CB-CD2 3.73Å; K376-F434 HydrophobicContact CB-CE1 4.22Å; K376-F434 HydrophobicContact CB-CE2 4Å; K376-F434 HydrophobicContact CB-CG 3.7Å; K376-F434 HydrophobicContact CB-CZ 4.23Å; K376-F434 HydrophobicContact CD-CB 3.9Å; K376-F434 HydrophobicContact CD-CD1 3.85Å; K376-F434 HydrophobicContact CD-CG 3.93Å; K376-F434 HydrophobicContact CG-CD1 4.48Å; K376-F434 HydrophobicContact CG-CG 4.5Å; K376-Y445 WeakPolarHBondContact CA-OH 3.46Å; K376-Y445 WeakPolarHBondContact CB-OH 3.27Å; K376-Y445 PolarHBondContact O-OH 2.86Å
377E96.6Very high95.1Very high0 Ų020.8 Ų20.80%012%0.118CC..Hα-helixtrans-63.2-40175.9-175.96717400111.1Q373 V374 L379 R380 I381 F429 D430 R433 F434Q373-E377 PolarHBondContact O-N 3.46Å; V374-E377 PolarHBondContact O-N 3.36Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 3.31Å; E377-R380 VanDerWaalsContact CD-NE 3.35Å; E377-R380 WeakPolarHBondContact O-CB 3.47Å; E377-R380 PolarHBondContact O-N 2.9Å; E377-R380 VanDerWaalsContact O-N 3.1Å; E377-R380 IonicContact OE1-CZ 3.55Å; E377-R380 IonicContact OE1-NE 3.3Å; E377-R380 PolarHBondContact OE1-NE 2.92Å; E377-R380 IonicContact OE1-NH2 2.71Å; E377-R380 PolarHBondContact OE1-NH2 3.25Å; E377-R380 WeakPolarHBondContact OE2-CD 3.26Å; E377-R380 IonicContact OE2-CZ 3.47Å; E377-R380 IonicContact OE2-NE 3.51Å; E377-R380 PolarHBondContact OE2-NE 3.41Å; E377-R380 IonicContact OE2-NH2 2.89Å; E377-I381 PolarHBondContact O-N 3.13Å; E377-F429 HydrophobicContact CB-CE2 4.06Å; E377-F429 HydrophobicContact CB-CZ 4.19Å; E377-F429 HydrophobicContact CG-CD1 4.43Å; E377-F429 HydrophobicContact CG-CD2 3.69Å; E377-F429 HydrophobicContact CG-CE1 4.44Å; E377-F429 HydrophobicContact CG-CE2 3.69Å; E377-F429 HydrophobicContact CG-CG 4.06Å; E377-F429 HydrophobicContact CG-CZ 4.08Å; E377-D430 VanDerWaalsContact CD-O 3.23Å; E377-D430 PolarHBondContact OE1-N 2.99Å; E377-R433 IonicContact OE1-NE 3.39Å; E377-F434 HydrophobicContact CB-CD2 4.13Å; E377-F434 HydrophobicContact CB-CE2 4.18Å; E377-F434 VanDerWaalsContact OE2-CE2 3.22Å; E377-F434 WeakPolarHBondContact OE2-CE2 3.44Å
378T96.6Very high95Very high0 Ų015.9 Ų15.90%010%0.098CC..Hα-helixtrans-56.7-43.3170.4-56.20000112Q328 F331 C332 V374 K376 Y382Q328-T378 HydrophobicContact CG-CG2 4.25Å; Q328-T378 WeakPolarHBondContact O-CG2 3.24Å; F331-T378 HydrophobicContact CB-CG2 3.61Å; C332-T378 HydrophobicContact CB-CG2 4.04Å; V374-T378 PolarHBondContact O-N 3.45Å; V374-T378 PolarHBondContact O-OG1 3.29Å; K376-T378 VanDerWaalsContact C-N 3.3Å; K376-T378 PolarHBondContact O-N 3.26Å; T378-Y382 HydrophobicContact CG2-CD2 4.45Å; T378-Y382 CarbonylContact O-C 3.54Å; T378-Y382 VanDerWaalsContact O-CA 3.28Å; T378-Y382 WeakPolarHBondContact O-CA 3.3Å; T378-Y382 VanDerWaalsContact O-CB 3.3Å; T378-Y382 WeakPolarHBondContact O-CB 3.43Å; T378-Y382 PolarHBondContact O-N 3.21Å
379L95.6Very high94.9Very high7 Ų716.2 Ų16.24%0.03710%0.1CC..Hα-helixtrans-74.5-23.8176.7-75.3174000114Q328 L375 K376 E377 P383 Y445 P447 F448Q328-L379 HydrophobicContact CB-CD2 4.06Å; Q328-L379 VanDerWaalsContact CD-CG 3.49Å; Q328-L379 HydrophobicContact CG-CD2 3.73Å; Q328-L379 HydrophobicContact CG-CG 3.87Å; L375-L379 PolarHBondContact O-N 3.46Å; K376-L379 PolarHBondContact O-N 3.35Å; K376-L379 VanDerWaalsContact O-N 3.12Å; E377-L379 VanDerWaalsContact C-N 3.32Å; E377-L379 PolarHBondContact O-N 3.31Å; L379-P383 VanDerWaalsContact O-CA 3.24Å; L379-P383 WeakPolarHBondContact O-CA 3.38Å; L379-P383 WeakPolarHBondContact O-CB 3.33Å; L379-Y445 HydrophobicContact CB-CE2 4.46Å; L379-P447 HydrophobicContact CB-CB 4Å; L379-P447 HydrophobicContact CB-CG 4.02Å; L379-P447 HydrophobicContact CD1-CB 4.18Å; L379-P447 HydrophobicContact CD1-CG 4.06Å; L379-P447 HydrophobicContact CD2-CB 4.42Å; L379-P447 HydrophobicContact CG-CB 4.44Å; L379-F448 HydrophobicContact CD1-CE2 3.55Å; L379-F448 HydrophobicContact CD1-CZ 3.81Å
380R95.9Very high94.9Very high4 Ų413.4 Ų13.42%0.0158%0.082CC..Hα-helixtrans-69.2-50.3174.9-174.8-16765.279.6-4.4109.9K376 E377 G417 F423 P426 K428 F434 Y445K376-R380 PolarHBondContact O-N 2.83Å; E377-R380 VanDerWaalsContact CD-NE 3.35Å; E377-R380 WeakPolarHBondContact O-CB 3.47Å; E377-R380 PolarHBondContact O-N 2.9Å; E377-R380 VanDerWaalsContact O-N 3.1Å; E377-R380 IonicContact OE1-CZ 3.55Å; E377-R380 IonicContact OE1-NE 3.3Å; E377-R380 PolarHBondContact OE1-NE 2.92Å; E377-R380 IonicContact OE1-NH2 2.71Å; E377-R380 PolarHBondContact OE1-NH2 3.25Å; E377-R380 WeakPolarHBondContact OE2-CD 3.26Å; E377-R380 IonicContact OE2-CZ 3.47Å; E377-R380 IonicContact OE2-NE 3.51Å; E377-R380 PolarHBondContact OE2-NE 3.41Å; E377-R380 IonicContact OE2-NH2 2.89Å; R380-G417 PolarHBondContact NH1-O 2.67Å; R380-F423 VanDerWaalsContact CD-CD1 3.44Å; R380-F423 VanDerWaalsContact CD-CE1 3.41Å; R380-F423 HydrophobicContact CG-CE1 4.23Å; R380-F423 HydrophobicContact CG-CE2 4.46Å; R380-F423 HydrophobicContact CG-CZ 4.17Å; R380-P426 VanDerWaalsContact CZ-O 3.29Å; R380-P426 PolarHBondContact NH1-O 3.36Å; R380-P426 PolarHBondContact NH2-O 3.34Å; R380-K428 PolarHBondContact NH2-O 3.27Å; R380-F434 HydrophobicContact CB-CE2 4.11Å; R380-F434 HydrophobicContact CB-CZ 4.05Å; R380-F434 HydrophobicContact CG-CZ 4.42Å; R380-Y445 HydrophobicContact CB-CD2 4.12Å; R380-Y445 HydrophobicContact CB-CE2 3.93Å; R380-Y445 HydrophobicContact CG-CD2 4.36Å
381I94.2Very high94.7Very high7 Ų714 Ų144%0.0369%0.086CC..Hα-helixtrans-75.2-43.4178.2-56.2-175.8000109.5E377 P383 R418 F429E377-I381 PolarHBondContact O-N 3.13Å; I381-P383 WeakPolarHBondContact O-CD 3.35Å; I381-R418 PolarHBondContact O-NH1 2.94Å; I381-R418 PolarHBondContact O-NH2 3.16Å; I381-F429 HydrophobicContact CD1-CB 4.02Å; I381-F429 HydrophobicContact CD1-CD2 3.72Å; I381-F429 HydrophobicContact CD1-CG 4.33Å
382Y94.4Very high94.6Very high19 Ų1914.1 Ų14.18%0.0759%0.086CC..SBendtrans-119.270.2-175.8-51.7-71000111.5F331 E335 T378 T384 L488F331-Y382 HydrophobicContact CB-CD2 3.82Å; F331-Y382 HydrophobicContact CB-CG 4.03Å; F331-Y382 AromaticContact CD1-CD1 3.76Å; F331-Y382 HydrophobicContact CD1-CD1 3.76Å; F331-Y382 AromaticContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CD2 3.94Å; F331-Y382 HydrophobicContact CD1-CE1 4.19Å; F331-Y382 HydrophobicContact CD1-CE2 4.38Å; F331-Y382 AromaticContact CD1-CG 3.59Å; F331-Y382 HydrophobicContact CD1-CG 3.59Å; F331-Y382 AromaticContact CD2-CG 3.99Å; F331-Y382 HydrophobicContact CD2-CG 3.99Å; F331-Y382 AromaticContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CD1 3.71Å; F331-Y382 HydrophobicContact CE1-CE1 4.18Å; F331-Y382 AromaticContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE1-CG 3.98Å; F331-Y382 HydrophobicContact CE2-CG 4.32Å; F331-Y382 HydrophobicContact CG-CD1 4.22Å; F331-Y382 AromaticContact CG-CD2 3.92Å; F331-Y382 HydrophobicContact CG-CD2 3.92Å; F331-Y382 AromaticContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CG-CG 3.62Å; F331-Y382 HydrophobicContact CZ-CD1 4.11Å; F331-Y382 HydrophobicContact CZ-CG 4.32Å; E335-Y382 HydrophobicContact CG-CD2 4.45Å; E335-Y382 HydrophobicContact CG-CE2 3.65Å; E335-Y382 PolarHBondContact OE1-OH 3.07Å; T378-Y382 HydrophobicContact CG2-CD2 4.45Å; T378-Y382 CarbonylContact O-C 3.54Å; T378-Y382 VanDerWaalsContact O-CA 3.28Å; T378-Y382 WeakPolarHBondContact O-CA 3.3Å; T378-Y382 VanDerWaalsContact O-CB 3.3Å; T378-Y382 WeakPolarHBondContact O-CB 3.43Å; T378-Y382 PolarHBondContact O-N 3.21Å; Y382-T384 PolarHBondContact O-N 3.36Å; Y382-L488 HydrophobicContact CD1-CD1 4.49Å; Y382-L488 HydrophobicContact CD1-CD2 3.49Å; Y382-L488 VanDerWaalsContact CD1-CD2 3.49Å; Y382-L488 HydrophobicContact CE1-CD2 3.7Å
383P92.9Very high94.4Very high1 Ų118.6 Ų18.61%0.00611%0.105CC..  trans-70.6104.9177.828.1-31.8000109L379 I381 A385 Y414 L494L379-P383 VanDerWaalsContact O-CA 3.24Å; L379-P383 WeakPolarHBondContact O-CA 3.38Å; L379-P383 WeakPolarHBondContact O-CB 3.33Å; I381-P383 WeakPolarHBondContact O-CD 3.35Å; P383-A385 CarbonylContact O-C 3.28Å; P383-A385 PolarHBondContact O-N 3.48Å; P383-Y414 HydrophobicContact CG-CD2 3.81Å; P383-Y414 HydrophobicContact CG-CG 4.37Å; P383-L494 WeakPolarHBondContact O-CD1 3.47Å
384T91.6Very high94.2Very high9 Ų920.3 Ų20.36%0.05512%0.124CC..SBendtrans-56.9-34.1-17954.50000111.9T324 N327 Q328 Y382 T493 L494T324-T384 WeakPolarHBondContact O-CG2 3.31Å; N327-T384 HydrophobicContact CB-CG2 3.73Å; Q328-T384 HydrophobicContact CB-CG2 4.22Å; Y382-T384 PolarHBondContact O-N 3.36Å; T384-T493 WeakPolarHBondContact O-CA 3.44Å; T384-T493 WeakPolarHBondContact O-CB 3.5Å; T384-L494 PolarHBondContact O-N 2.88Å; T384-L494 VanDerWaalsContact O-N 3.1Å
385A91.2Very high94Very high41 Ų4125.5 Ų25.534%0.33915%0.152SC..SBendtrans-101.5104.4160.900000110.5P383 G387 S413P383-A385 CarbonylContact O-C 3.28Å; P383-A385 PolarHBondContact O-N 3.48Å; A385-G387 VanDerWaalsContact C-N 3.26Å; A385-G387 PolarHBondContact O-N 3.26Å; A385-S413 PolarHBondContact O-OG 3.36Å
386P90.1Very high93.8Very high13 Ų1325.7 Ų25.78%0.08415%0.153CC..  trans-77.4-2.5-168.228.4-35.7000115.5H73 S412 S413 Y414 L494H73-P386 WeakPolarHBondContact CE1-CG 3.35Å; H73-P386 WeakPolarHBondContact NE2-CG 3.39Å; P386-S412 PolarHBondContact O-OG 2.74Å; P386-S413 PolarHBondContact O-N 2.63Å; P386-S413 PolarHBondContact O-OG 2.88Å; P386-S413 VanDerWaalsContact O-OG 3.12Å; P386-Y414 HydrophobicContact CB-CG 4.49Å; P386-Y414 PolarHBondContact O-N 3.32Å; P386-Y414 VanDerWaalsContact O-N 3.12Å; P386-L494 HydrophobicContact CB-CD1 4.27Å
387G91.4Very high93.7Very high34 Ų3427.9 Ų27.935%0.35117%0.166SC..  trans169.8-179.2177.100000113.8A385 L411A385-G387 VanDerWaalsContact C-N 3.26Å; A385-G387 PolarHBondContact O-N 3.26Å; G387-L411 CarbonylContact C-O 3.6Å; G387-L411 WeakPolarHBondContact CA-O 3.43Å
388T93.4Very high93.4Very high14 Ų1428.1 Ų28.19%0.08617%0.168CC..EExtended strand (participates in β ladder)trans-143.2164.8173.6-1670000110.1L109 K116 Y121 R390 L411L109-T388 HydrophobicContact CD1-CG2 4.45Å; L109-T388 HydrophobicContact CD2-CG2 3.72Å; K116-T388 PolarHBondContact NZ-OG1 3.39Å; Y121-T388 PolarHBondContact OH-OG1 3.35Å; T388-R390 PolarHBondContact OG1-NH1 2.92Å; T388-L411 PolarHBondContact N-O 3.28Å; T388-L411 PolarHBondContact O-N 3.39Å
389S94.1Very high93Very high6 Ų633 Ų334%0.04219%0.194CC..EExtended strand (participates in β ladder)trans-132.7155.3-177.337.10000112D117 C409D117-S389 WeakPolarHBondContact OD2-CB 3.38Å; D117-S389 PolarHBondContact OD2-OG 3.39Å; S389-C409 CarbonylContact C-O 3.54Å; S389-C409 WeakPolarHBondContact CA-O 3.35Å; S389-C409 WeakPolarHBondContact CB-O 3.43Å
390R94.9Very high92.6Very high2 Ų236 Ų361%0.00823%0.227CC..EExtended strand (participates in β ladder)trans-136.6150.5176.5-66-60.2-176.7-78.5-7.4110.6I108 L109 Y114 P115 K116 T388 I392 T408 C409I108-R390 HydrophobicContact CG2-CB 3.79Å; I108-R390 HydrophobicContact CG2-CG 3.63Å; L109-R390 HydrophobicContact CD2-CG 4.42Å; Y114-R390 WeakPolarHBondContact O-CD 3.3Å; P115-R390 CarbonylContact O-C 3.49Å; P115-R390 VanDerWaalsContact O-CA 3.27Å; P115-R390 WeakPolarHBondContact O-CA 3.48Å; P115-R390 VanDerWaalsContact O-CD 3.25Å; P115-R390 WeakPolarHBondContact O-CD 3.21Å; K116-R390 VanDerWaalsContact NZ-NH1 3.1Å; T388-R390 PolarHBondContact OG1-NH1 2.92Å; R390-I392 HydrophobicContact CB-CD1 4.42Å; R390-T408 CarbonylContact O-C 3.57Å; R390-T408 WeakPolarHBondContact O-CA 3.3Å; R390-C409 PolarHBondContact N-O 3.3Å; R390-C409 PolarHBondContact O-N 3.43Å
391E94.4Very high92.4Very high30 Ų3037.6 Ų37.614%0.1424%0.237CC..EExtended strand (participates in β ladder)trans-88.9128.8171-157163.3153.900109.8P115 R118 H393P115-E391 HydrophobicContact CG-CB 4.19Å; P115-E391 PolarHBondContact O-N 3.44Å; R118-E391 WeakPolarHBondContact CB-OE2 3.34Å; R118-E391 VanDerWaalsContact CD-OE2 3.23Å; R118-E391 WeakPolarHBondContact CD-OE2 3.5Å; R118-E391 WeakPolarHBondContact CG-OE2 3.25Å; R118-E391 PolarHBondContact N-OE2 3.26Å; R118-E391 VanDerWaalsContact N-OE2 3.15Å; E391-H393 IonicContact OE1-CE1 3.83Å; E391-H393 PolarHBondContact OE1-CE1 2.81Å; E391-H393 VanDerWaalsContact OE1-CE1 3.24Å; E391-H393 IonicContact OE1-ND1 3.16Å
392I94.4Very high92.3Very high2 Ų241.8 Ų41.81%0.0126%0.256CS..EExtended strand (participates in β ladder)trans-110.2110.7178.1-50.2-58.4000107.9I108 Y114 R390 G394 G406 F407 C409I108-I392 HydrophobicContact CD1-CD1 4.29Å; I108-I392 HydrophobicContact CG1-CD1 4.31Å; I108-I392 HydrophobicContact CG2-CD1 4.21Å; Y114-I392 HydrophobicContact CD1-CD1 3.33Å; Y114-I392 HydrophobicContact CE1-CD1 3.73Å; Y114-I392 HydrophobicContact CE1-CG2 4.36Å; Y114-I392 HydrophobicContact CG-CD1 3.89Å; R390-I392 HydrophobicContact CB-CD1 4.42Å; I392-G394 WeakPolarHBondContact CG2-O 3.47Å; I392-G406 WeakPolarHBondContact O-CA 3.43Å; I392-G406 PolarHBondContact O-N 3.44Å; I392-F407 HydrophobicContact CB-CD1 4.22Å; I392-F407 HydrophobicContact CB-CD2 4.31Å; I392-F407 HydrophobicContact CB-CE1 3.78Å; I392-F407 HydrophobicContact CB-CE2 3.87Å; I392-F407 HydrophobicContact CB-CG 4.49Å; I392-F407 HydrophobicContact CB-CZ 3.59Å; I392-F407 HydrophobicContact CG1-CD2 4.26Å; I392-F407 HydrophobicContact CG1-CE1 4.41Å; I392-F407 HydrophobicContact CG1-CE2 3.61Å; I392-F407 HydrophobicContact CG1-CZ 3.71Å; I392-F407 HydrophobicContact CG2-CE1 3.77Å; I392-F407 HydrophobicContact CG2-CE2 4.44Å; I392-F407 HydrophobicContact CG2-CZ 3.69Å; I392-F407 PolarHBondContact N-O 2.85Å; I392-F407 PolarHBondContact O-N 3.27Å; I392-C409 HydrophobicContact CD1-CB 4.14Å; I392-C409 HydrophobicContact CG1-CB 3.69Å
393H92.3Very high92.3Very high116 Ų11640.9 Ų40.954%0.53725%0.253SS..  trans-88.1-34-176.2-64.4-64.2000113.7E391 G405E391-H393 IonicContact OE1-CE1 3.83Å; E391-H393 PolarHBondContact OE1-CE1 2.81Å; E391-H393 VanDerWaalsContact OE1-CE1 3.24Å; E391-H393 IonicContact OE1-ND1 3.16Å; H393-G405 WeakPolarHBondContact O-CA 3.36Å
394G92.1Very high92.3Very high42 Ų4241.4 Ų41.443%0.43326%0.256SS..SBendtrans-99.1164.5-179.400000112.6I392 G405I392-G394 WeakPolarHBondContact CG2-O 3.47Å; G394-G405 WeakPolarHBondContact O-CA 3.32Å
395D93.8Very high92.4Very high108 Ų10841.3 Ų41.358%0.57826%0.257SS*.  trans-64.7145.3173.7-65.83.7000110.3H402 L403 P404 G405D395-H402 IonicContact OD2-CE1 3.79Å; D395-H402 IonicContact OD2-NE2 2.79Å; D395-L403 WeakPolarHBondContact CA-O 3.46Å; D395-P404 WeakPolarHBondContact OD1-CA 3.36Å; D395-G405 PolarHBondContact OD1-N 3.44Å
396M93.8Very high92.4Very high15 Ų1541.7 Ų41.77%0.07426%0.264CS..EExtended strand (participates in β ladder)trans-146.1148.8-177.4179.8175.2-82.900110.1E107 I108 Y114 I398 L403E107-M396 VanDerWaalsContact OE1-CE 3.23Å; E107-M396 WeakPolarHBondContact OE1-CE 3.45Å; I108-M396 HydrophobicContact CD1-SD 4.17Å; I108-M396 HydrophobicContact CG1-CE 4.34Å; I108-M396 HydrophobicContact CG1-SD 4.35Å; Y114-M396 HydrophobicContact CE1-CE 4.12Å; Y114-M396 WeakPolarHBondContact OH-CE 3.35Å; M396-I398 HydrophobicContact CG-CD1 4.38Å; M396-I398 HydrophobicContact CG-CG1 3.84Å; M396-I398 HydrophobicContact SD-CD1 3.72Å; M396-I398 HydrophobicContact SD-CG1 3.75Å; M396-L403 PolarHBondContact N-O 3.12Å; M396-L403 WeakPolarHBondContact O-CA 3.35Å; M396-L403 VanDerWaalsContact O-CB 3.32Å; M396-L403 WeakPolarHBondContact O-CB 3.25Å; M396-L403 PolarHBondContact O-N 2.74Å
397I93.4Very high92.6Very high115 Ų11541.2 Ų41.259%0.5926%0.261SS*.EExtended strand (participates in β ladder)trans-107.8121.4171.1-59173.1000107.7V401I397-V401 WeakPolarHBondContact CA-O 3.45Å
398I91.3Very high92.8Very high5 Ų540 Ų403%0.02625%0.247CC..EExtended strand (participates in β ladder)trans-124124.8173.9-57-179.6000107.8V86 V99 C101 A104 I108 M396 G400 V401 L403V86-I398 HydrophobicContact CG2-CB 3.98Å; V86-I398 HydrophobicContact CG2-CG2 3.47Å; V86-I398 VanDerWaalsContact CG2-CG2 3.47Å; V99-I398 HydrophobicContact CG1-CD1 4.37Å; V99-I398 HydrophobicContact CG1-CG2 4.08Å; V99-I398 HydrophobicContact CG2-CD1 4Å; C101-I398 HydrophobicContact CB-CG2 4.09Å; A104-I398 HydrophobicContact CB-CD1 3.96Å; A104-I398 HydrophobicContact CB-CG1 4.22Å; A104-I398 HydrophobicContact CB-CG2 3.73Å; I108-I398 HydrophobicContact CD1-CD1 4.25Å; M396-I398 HydrophobicContact CG-CD1 4.38Å; M396-I398 HydrophobicContact CG-CG1 3.84Å; M396-I398 HydrophobicContact SD-CD1 3.72Å; M396-I398 HydrophobicContact SD-CG1 3.75Å; I398-G400 PolarHBondContact O-N 2.92Å; I398-V401 PolarHBondContact N-O 3.43Å; I398-V401 VanDerWaalsContact N-O 3.09Å; I398-V401 WeakPolarHBondContact O-CB 3.41Å; I398-V401 PolarHBondContact O-N 3.15Å; I398-L403 HydrophobicContact CB-CD1 3.93Å; I398-L403 HydrophobicContact CD1-CD1 3.47Å; I398-L403 VanDerWaalsContact CD1-CD1 3.47Å; I398-L403 HydrophobicContact CG1-CD1 3.65Å
399D87.2Confident92.9Very high103 Ų10339.4 Ų39.455%0.55124%0.243SC*.THydrogen-bonded Turntrans51.540.2179.1-158.550.1000113.2P85 V86 V401P85-D399 HydrophobicContact CG-CB 4.24Å; P85-D399 WeakPolarHBondContact CG-OD2 3.46Å; V86-D399 HydrophobicContact CG2-CB 4.44Å; D399-V401 PolarHBondContact O-N 3.24Å
400G88.2Confident93Very high71 Ų7140.5 Ų40.573%0.73225%0.248SC*.THydrogen-bonded Turntrans76.4-3.7-177.700000115.5I398I398-G400 PolarHBondContact O-N 2.92Å
401V90.8Very high93Very high37 Ų3740.4 Ų40.422%0.22425%0.247CC..EExtended strand (participates in β ladder)trans-90.2125.6177.9-171.90000110.2I46 I397 I398 D399 L403I46-V401 HydrophobicContact CG1-CG1 4.33Å; I397-V401 WeakPolarHBondContact CA-O 3.45Å; I398-V401 PolarHBondContact N-O 3.43Å; I398-V401 VanDerWaalsContact N-O 3.09Å; I398-V401 WeakPolarHBondContact O-CB 3.41Å; I398-V401 PolarHBondContact O-N 3.15Å; D399-V401 PolarHBondContact O-N 3.24Å; V401-L403 HydrophobicContact CB-CD2 4.2Å; V401-L403 HydrophobicContact CG1-CD2 3.68Å; V401-L403 PolarHBondContact O-N 2.98Å
402H93.4Very high93Very high95 Ų9539 Ų3944%0.4424%0.241SC..EExtended strand (participates in β ladder)trans-77.5115.4173.5-174.7-86.7000111.2H45 D395H45-H402 PolarHBondContact NE2-O 3.23Å; D395-H402 IonicContact OD2-CE1 3.79Å; D395-H402 IonicContact OD2-NE2 2.79Å
403L94Very high92.9Very high0 Ų039.3 Ų39.30%024%0.243CC..EExtended strand (participates in β ladder)trans-106.8110.2-178.2-50.3-177000109.1I46 V86 L97 D395 M396 I398 V401 F407I46-L403 HydrophobicContact CD1-CD2 3.7Å; I46-L403 HydrophobicContact CG1-CD2 4.17Å; V86-L403 HydrophobicContact CG1-CD1 4.26Å; V86-L403 HydrophobicContact CG1-CD2 4.09Å; L97-L403 HydrophobicContact CD1-CB 4.23Å; L97-L403 HydrophobicContact CD1-CD1 3.82Å; L97-L403 HydrophobicContact CD1-CD2 3.72Å; L97-L403 HydrophobicContact CD1-CG 4.14Å; D395-L403 WeakPolarHBondContact CA-O 3.46Å; M396-L403 PolarHBondContact N-O 3.12Å; M396-L403 WeakPolarHBondContact O-CA 3.35Å; M396-L403 VanDerWaalsContact O-CB 3.32Å; M396-L403 WeakPolarHBondContact O-CB 3.25Å; M396-L403 PolarHBondContact O-N 2.74Å; I398-L403 HydrophobicContact CB-CD1 3.93Å; I398-L403 HydrophobicContact CD1-CD1 3.47Å; I398-L403 VanDerWaalsContact CD1-CD1 3.47Å; I398-L403 HydrophobicContact CG1-CD1 3.65Å; V401-L403 HydrophobicContact CB-CD2 4.2Å; V401-L403 HydrophobicContact CG1-CD2 3.68Å; V401-L403 PolarHBondContact O-N 2.98Å; L403-F407 HydrophobicContact CB-CE1 3.8Å; L403-F407 HydrophobicContact CB-CZ 3.93Å; L403-F407 HydrophobicContact CD1-CE2 4.45Å; L403-F407 HydrophobicContact CD1-CZ 3.92Å
404P92.6Very high93.1Very high12 Ų1233.9 Ų33.98%0.07822%0.218CC..  trans-74.5145178.533.5-34.8000109.8K42 Y43 D395 F407K42-P404 HydrophobicContact CD-CG 4.48Å; K42-P404 VanDerWaalsContact CE-CB 3.44Å; K42-P404 HydrophobicContact CG-CG 4.01Å; Y43-P404 HydrophobicContact CD1-CG 3.84Å; Y43-P404 HydrophobicContact CE1-CG 3.58Å; Y43-P404 VanDerWaalsContact CE1-O 3.31Å; Y43-P404 WeakPolarHBondContact CE1-O 3.26Å; Y43-P404 PolarHBondContact OH-O 2.8Å; D395-P404 WeakPolarHBondContact OD1-CA 3.36Å; P404-F407 WeakPolarHBondContact O-CD1 3.38Å
405G93.4Very high93.2Very high7 Ų731.9 Ų31.97%0.07220%0.198CC..SBendtrans-64.3159-174.700000114.5K42 Y43 H393 G394 D395K42-G405 PolarHBondContact NZ-O 2.9Å; Y43-G405 PolarHBondContact OH-O 2.95Å; H393-G405 WeakPolarHBondContact O-CA 3.36Å; G394-G405 WeakPolarHBondContact O-CA 3.32Å; D395-G405 PolarHBondContact OD1-N 3.44Å
406G92Very high93.2Very high48 Ų4826.8 Ų26.850%0.49517%0.17SC..SBendtrans98.534.5-179.600000113.9Y43 I392Y43-G406 PolarHBondContact OH-O 2.95Å; I392-G406 WeakPolarHBondContact O-CA 3.43Å; I392-G406 PolarHBondContact O-N 3.44Å
407F93.8Very high93.2Very high3 Ų326.1 Ų26.11%0.01317%0.168CC..EExtended strand (participates in β ladder)trans-124.4161177.466.5-87000112Y43 I95 L97 I392 L403 P404 C409Y43-F407 HydrophobicContact CE1-CB 4.14Å; Y43-F407 HydrophobicContact CE1-CD1 4.23Å; I95-F407 HydrophobicContact CB-CB 4.12Å; I95-F407 HydrophobicContact CG2-CB 3.94Å; L97-F407 HydrophobicContact CB-CD2 3.84Å; L97-F407 HydrophobicContact CB-CE2 4.06Å; L97-F407 HydrophobicContact CD1-CD1 4.23Å; L97-F407 HydrophobicContact CD1-CD2 3.58Å; L97-F407 HydrophobicContact CD1-CE1 4.26Å; L97-F407 HydrophobicContact CD1-CE2 3.64Å; L97-F407 HydrophobicContact CD1-CG 3.89Å; L97-F407 HydrophobicContact CD1-CZ 3.98Å; L97-F407 HydrophobicContact CG-CB 4.37Å; L97-F407 HydrophobicContact CG-CD2 3.62Å; L97-F407 HydrophobicContact CG-CE2 4.07Å; L97-F407 HydrophobicContact CG-CG 4.05Å; I392-F407 HydrophobicContact CB-CD1 4.22Å; I392-F407 HydrophobicContact CB-CD2 4.31Å; I392-F407 HydrophobicContact CB-CE1 3.78Å; I392-F407 HydrophobicContact CB-CE2 3.87Å; I392-F407 HydrophobicContact CB-CG 4.49Å; I392-F407 HydrophobicContact CB-CZ 3.59Å; I392-F407 HydrophobicContact CG1-CD2 4.26Å; I392-F407 HydrophobicContact CG1-CE1 4.41Å; I392-F407 HydrophobicContact CG1-CE2 3.61Å; I392-F407 HydrophobicContact CG1-CZ 3.71Å; I392-F407 HydrophobicContact CG2-CE1 3.77Å; I392-F407 HydrophobicContact CG2-CE2 4.44Å; I392-F407 HydrophobicContact CG2-CZ 3.69Å; I392-F407 PolarHBondContact N-O 2.85Å; I392-F407 PolarHBondContact O-N 3.27Å; L403-F407 HydrophobicContact CB-CE1 3.8Å; L403-F407 HydrophobicContact CB-CZ 3.93Å; L403-F407 HydrophobicContact CD1-CE2 4.45Å; L403-F407 HydrophobicContact CD1-CZ 3.92Å; P404-F407 WeakPolarHBondContact O-CD1 3.38Å; F407-C409 HydrophobicContact CD2-CB 4.38Å; F407-C409 HydrophobicContact CE2-CB 3.92Å
408T95.3Very high93.3Very high10 Ų1021.6 Ų21.66%0.06114%0.143CC..EExtended strand (participates in β ladder)trans-90.2119.6168.2-63.60000109.4I95 I96 L97 D117 R390I95-T408 PolarHBondContact O-N 2.73Å; I96-T408 CarbonylContact C-O 3.58Å; I96-T408 VanDerWaalsContact CA-O 3.27Å; I96-T408 WeakPolarHBondContact CA-O 3.31Å; I96-T408 HydrophobicContact CG2-CG2 4.27Å; L97-T408 PolarHBondContact N-O 3.1Å; D117-T408 HydrophobicContact CB-CG2 3.5Å; R390-T408 CarbonylContact O-C 3.57Å; R390-T408 WeakPolarHBondContact O-CA 3.3Å
409C95.6Very high93.4Very high0 Ų022.4 Ų22.40%015%0.147CC..EExtended strand (participates in β ladder)trans-86.6117.9170-173.90000109.3L97 V99 I108 S389 R390 I392 F407L97-C409 CarbonylContact O-C 3.49Å; L97-C409 WeakPolarHBondContact O-CA 3.07Å; V99-C409 VanDerWaalsContact CG2-SG 3.53Å; I108-C409 HydrophobicContact CD1-CB 4.29Å; I108-C409 VanDerWaalsContact CD1-SG 3.53Å; S389-C409 CarbonylContact C-O 3.54Å; S389-C409 WeakPolarHBondContact CA-O 3.35Å; S389-C409 WeakPolarHBondContact CB-O 3.43Å; R390-C409 PolarHBondContact N-O 3.3Å; R390-C409 PolarHBondContact O-N 3.43Å; I392-C409 HydrophobicContact CD1-CB 4.14Å; I392-C409 HydrophobicContact CG1-CB 3.69Å; F407-C409 HydrophobicContact CD2-CB 4.38Å; F407-C409 HydrophobicContact CE2-CB 3.92Å
410M95.5Very high93.6Very high29 Ų2922.8 Ų22.814%0.14315%0.146CC..EExtended strand (participates in β ladder)trans-101.7124.5174.7-170.3177.684.600109.9F76 M89 I96 L97 V98 V99F76-M410 HydrophobicContact CD1-CE 4.27Å; F76-M410 HydrophobicContact CD2-CE 3.33Å; F76-M410 HydrophobicContact CD2-SD 4.48Å; F76-M410 HydrophobicContact CE1-CE 4.25Å; F76-M410 HydrophobicContact CE2-CE 3.31Å; F76-M410 HydrophobicContact CE2-SD 3.94Å; F76-M410 HydrophobicContact CG-CE 3.84Å; F76-M410 HydrophobicContact CZ-CE 3.79Å; F76-M410 HydrophobicContact CZ-SD 4.32Å; M89-M410 HydrophobicContact CE-CE 3.65Å; M89-M410 HydrophobicContact CE-SD 3.69Å; I96-M410 HydrophobicContact CG2-CB 3.8Å; L97-M410 PolarHBondContact O-N 2.94Å; V98-M410 WeakPolarHBondContact CA-O 3.32Å; V98-M410 HydrophobicContact CB-CE 4.18Å; V98-M410 HydrophobicContact CG1-CE 3.75Å; V98-M410 HydrophobicContact CG2-CB 4.33Å; V98-M410 HydrophobicContact CG2-CE 3.41Å; V98-M410 VanDerWaalsContact CG2-CE 3.41Å; V99-M410 PolarHBondContact N-O 2.89Å
411L95.3Very high93.7Very high0 Ų026.8 Ų26.80%014%0.143CC..EExtended strand (participates in β ladder)trans-111.1110.9-179.1-64.1158.3000107.8V99 T105 I108 L109 G387 T388 F446V99-L411 HydrophobicContact CB-CD2 4.11Å; V99-L411 HydrophobicContact CG1-CD2 4.34Å; T105-L411 HydrophobicContact CG2-CD2 4.45Å; I108-L411 HydrophobicContact CB-CD1 4.38Å; I108-L411 HydrophobicContact CG2-CD1 3.98Å; L109-L411 HydrophobicContact CD1-CD1 4.03Å; L109-L411 HydrophobicContact CD2-CD1 3.41Å; L109-L411 VanDerWaalsContact CD2-CD1 3.41Å; L109-L411 HydrophobicContact CG-CD1 3.55Å; G387-L411 CarbonylContact C-O 3.6Å; G387-L411 WeakPolarHBondContact CA-O 3.43Å; T388-L411 PolarHBondContact N-O 3.28Å; T388-L411 PolarHBondContact O-N 3.39Å; L411-F446 HydrophobicContact CB-CE2 4.27Å; L411-F446 HydrophobicContact CB-CZ 4.28Å
412S94.4Very high93.7Very high1 Ų127.2 Ų27.21%0.00714%0.142CC..  trans-101.9106.1-173.8-173.90000111.5P386 Y414 A415 M416P386-S412 PolarHBondContact O-OG 2.74Å; S412-Y414 PolarHBondContact O-N 2.77Å; S412-A415 PolarHBondContact O-N 3.37Å; S412-A415 PolarHBondContact OG-N 3.45Å; S412-M416 WeakPolarHBondContact O-CG 3.18Å; S412-M416 PolarHBondContact O-N 3.26Å; S412-M416 VanDerWaalsContact O-N 3.13Å
413S93.5Very high93.7Very high8 Ų823.3 Ų23.36%0.05612%0.123CC..Hα-helixtrans-62.4-33.7168.951.80000111.1A385 P386 G417A385-S413 PolarHBondContact O-OG 3.36Å; P386-S413 PolarHBondContact O-N 2.63Å; P386-S413 PolarHBondContact O-OG 2.88Å; P386-S413 VanDerWaalsContact O-OG 3.12Å; S413-G417 WeakPolarHBondContact O-CA 3.44Å; S413-G417 PolarHBondContact O-N 3.37Å
414Y94.9Very high93.6Very high3 Ų330.1 Ų30.11%0.01215%0.153CC..Hα-helixtrans-60.3-49.1176.8-174-87.2000113.3H73 N74 P383 P386 S412 R418 L488 L494H73-Y414 HydrophobicContact CB-CD1 3.52Å; H73-Y414 HydrophobicContact CB-CD2 4.29Å; H73-Y414 HydrophobicContact CB-CE1 3.84Å; H73-Y414 HydrophobicContact CB-CG 3.77Å; N74-Y414 VanDerWaalsContact OD1-CE1 3.3Å; N74-Y414 WeakPolarHBondContact OD1-CE1 3.34Å; N74-Y414 VanDerWaalsContact OD1-CZ 3.3Å; N74-Y414 PolarHBondContact OD1-OH 3.49Å; P383-Y414 HydrophobicContact CG-CD2 3.81Å; P383-Y414 HydrophobicContact CG-CG 4.37Å; P386-Y414 HydrophobicContact CB-CG 4.49Å; P386-Y414 PolarHBondContact O-N 3.32Å; P386-Y414 VanDerWaalsContact O-N 3.12Å; S412-Y414 PolarHBondContact O-N 2.77Å; Y414-R418 VanDerWaalsContact CE2-NH1 3.25Å; Y414-R418 PolarHBondContact OH-NE 2.92Å; Y414-L488 HydrophobicContact CE2-CD1 3.92Å; Y414-L488 WeakPolarHBondContact OH-CD1 3.35Å; Y414-L494 HydrophobicContact CD2-CD1 3.49Å; Y414-L494 VanDerWaalsContact CD2-CD1 3.49Å; Y414-L494 HydrophobicContact CE2-CD1 3.56Å
415A95Very high93.6Very high0 Ų034 Ų340%017%0.17CC..Hα-helixtrans-69.2-52.1179.500000110.6L77 T100 S412 G417 R418 M419L77-A415 HydrophobicContact CB-CB 4.38Å; L77-A415 HydrophobicContact CD1-CB 4.3Å; T100-A415 HydrophobicContact CG2-CB 4.25Å; S412-A415 PolarHBondContact O-N 3.37Å; S412-A415 PolarHBondContact OG-N 3.45Å; A415-G417 VanDerWaalsContact C-N 3.26Å; A415-G417 PolarHBondContact O-N 2.98Å; A415-R418 PolarHBondContact O-N 2.9Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 3.43Å
416M94.7Very high93.6Very high0 Ų034.3 Ų34.30%017%0.171CC..Hα-helixtrans-60.4-36-178.8-66.3178.778.500112.5T100 P102 S412 R418 F422 F423 Y443 C444 F446T100-M416 HydrophobicContact CG2-CG 4.01Å; T100-M416 WeakPolarHBondContact O-CE 3.48Å; P102-M416 HydrophobicContact CG-CE 4.1Å; S412-M416 WeakPolarHBondContact O-CG 3.18Å; S412-M416 PolarHBondContact O-N 3.26Å; S412-M416 VanDerWaalsContact O-N 3.13Å; M416-R418 PolarHBondContact O-N 3.37Å; M416-F422 HydrophobicContact CB-CD2 4.2Å; M416-F422 HydrophobicContact CB-CE2 4.36Å; M416-F422 HydrophobicContact CE-CE2 4.13Å; M416-F422 HydrophobicContact CE-CZ 4.31Å; M416-F422 HydrophobicContact CG-CE2 4.21Å; M416-F423 WeakPolarHBondContact O-CD2 3.33Å; M416-F423 WeakPolarHBondContact O-CE2 3.23Å; M416-Y443 WeakPolarHBondContact CE-O 3.39Å; M416-C444 HydrophobicContact CE-CB 4.11Å; M416-F446 HydrophobicContact CE-CE1 4.45Å; M416-F446 HydrophobicContact SD-CE1 3.63Å; M416-F446 HydrophobicContact SD-CZ 3.86Å
417G93.8Very high93.6Very high2 Ų238.2 Ų38.22%0.02118%0.18CC..THydrogen-bonded Turntrans-64.2-18.8174.800000114.4R380 S413 A415R380-G417 PolarHBondContact NH1-O 2.67Å; S413-G417 WeakPolarHBondContact O-CA 3.44Å; S413-G417 PolarHBondContact O-N 3.37Å; A415-G417 VanDerWaalsContact C-N 3.26Å; A415-G417 PolarHBondContact O-N 2.98Å
418R94.3Very high93.6Very high19 Ų1943.3 Ų43.37%0.07220%0.202CC..THydrogen-bonded Turntrans-110.6-0.7-176-78.2174.1170.763.83.2115L77 I381 Y414 A415 M416 P426 L427L77-R418 HydrophobicContact CD1-CB 4.21Å; L77-R418 HydrophobicContact CD2-CB 3.72Å; L77-R418 HydrophobicContact CD2-CG 4.43Å; I381-R418 PolarHBondContact O-NH1 2.94Å; I381-R418 PolarHBondContact O-NH2 3.16Å; Y414-R418 VanDerWaalsContact CE2-NH1 3.25Å; Y414-R418 PolarHBondContact OH-NE 2.92Å; A415-R418 PolarHBondContact O-N 2.9Å; M416-R418 PolarHBondContact O-N 3.37Å; R418-P426 VanDerWaalsContact O-CB 3.26Å; R418-P426 WeakPolarHBondContact O-CB 3.44Å; R418-P426 WeakPolarHBondContact O-CG 3.31Å; R418-L427 HydrophobicContact CG-CD2 4.32Å
419M93.8Very high93.7Very high23 Ų2343.1 Ų43.111%0.11320%0.2CC..  trans-86.5128.6-179.3-70.6170.276.300110.9L77 T100 A415 K421 F422 F423L77-M419 HydrophobicContact CD1-CG 3.88Å; T100-M419 HydrophobicContact CG2-SD 4.14Å; A415-M419 WeakPolarHBondContact O-CG 3.42Å; A415-M419 PolarHBondContact O-N 3.43Å; M419-K421 PolarHBondContact O-N 3.4Å; M419-K421 VanDerWaalsContact O-N 3.14Å; M419-F422 HydrophobicContact CB-CD2 3.9Å; M419-F422 HydrophobicContact CB-CE2 4.39Å; M419-F422 HydrophobicContact CE-CE2 4.14Å; M419-F422 PolarHBondContact O-N 3.27Å; M419-F422 HydrophobicContact SD-CD2 4.18Å; M419-F422 HydrophobicContact SD-CE2 3.79Å; M419-F423 PolarHBondContact O-N 3.43Å
420E91.9Very high93.7Very high111 Ų11145.2 Ų45.252%0.51921%0.212SC..THydrogen-bonded Turntrans-54.7-32.7175.7-17171.9-145.500112F422 F423 K424 E425 P426E420-F422 PolarHBondContact O-N 3.01Å; E420-F423 WeakPolarHBondContact CA-O 3.34Å; E420-F423 CarbonylContact O-C 3.59Å; E420-K424 WeakPolarHBondContact OE1-CA 3.07Å; E420-E425 PolarHBondContact OE1-N 3.02Å; E420-E425 PolarHBondContact OE2-N 3.39Å; E420-P426 WeakPolarHBondContact OE2-CD 3.19Å
421K90.6Very high93.7Very high155 Ų15543.9 Ų43.967%0.67421%0.205SC*.THydrogen-bonded Turntrans-55.5-32.4175.9-178.7176.7178.7179.90113.2M419M419-K421 PolarHBondContact O-N 3.4Å; M419-K421 VanDerWaalsContact O-N 3.14Å
422F90.9Very high93.6Very high46 Ų4647.2 Ų47.220%0.20222%0.223CC..THydrogen-bonded Turntrans-107.5-31.4-177.1-56.6-51.4000112.8T100 P102 M416 M419 E420 C444T100-F422 WeakPolarHBondContact O-CE2 3.38Å; T100-F422 WeakPolarHBondContact O-CZ 3.42Å; P102-F422 HydrophobicContact CG-CD1 4.36Å; P102-F422 HydrophobicContact CG-CE1 3.56Å; P102-F422 HydrophobicContact CG-CZ 3.93Å; M416-F422 HydrophobicContact CB-CD2 4.2Å; M416-F422 HydrophobicContact CB-CE2 4.36Å; M416-F422 HydrophobicContact CE-CE2 4.13Å; M416-F422 HydrophobicContact CE-CZ 4.31Å; M416-F422 HydrophobicContact CG-CE2 4.21Å; M419-F422 HydrophobicContact CB-CD2 3.9Å; M419-F422 HydrophobicContact CB-CE2 4.39Å; M419-F422 HydrophobicContact CE-CE2 4.14Å; M419-F422 PolarHBondContact O-N 3.27Å; M419-F422 HydrophobicContact SD-CD2 4.18Å; M419-F422 HydrophobicContact SD-CE2 3.79Å; E420-F422 PolarHBondContact O-N 3.01Å; F422-C444 HydrophobicContact CB-CB 4.22Å; F422-C444 HydrophobicContact CD1-CB 4.49Å; F422-C444 VanDerWaalsContact CD1-SG 3.52Å; F422-C444 HydrophobicContact CG-CB 4.2Å
423F92.3Very high93.5Very high12 Ų1249.3 Ų49.35%0.05323%0.23CC..SBendtrans-135.2111-179.1-61.2-84.5000109.4R380 M416 M419 E420 E425 P426 P441 C444R380-F423 VanDerWaalsContact CD-CD1 3.44Å; R380-F423 VanDerWaalsContact CD-CE1 3.41Å; R380-F423 HydrophobicContact CG-CE1 4.23Å; R380-F423 HydrophobicContact CG-CE2 4.46Å; R380-F423 HydrophobicContact CG-CZ 4.17Å; M416-F423 WeakPolarHBondContact O-CD2 3.33Å; M416-F423 WeakPolarHBondContact O-CE2 3.23Å; M419-F423 PolarHBondContact O-N 3.43Å; E420-F423 WeakPolarHBondContact CA-O 3.34Å; E420-F423 CarbonylContact O-C 3.59Å; F423-E425 PolarHBondContact O-N 3.28Å; F423-P426 HydrophobicContact CB-CB 4.28Å; F423-P426 WeakPolarHBondContact O-CB 3.45Å; F423-P426 VanDerWaalsContact O-CD 3.31Å; F423-P426 WeakPolarHBondContact O-CD 3.33Å; F423-P441 HydrophobicContact CE1-CB 3.68Å; F423-P441 HydrophobicContact CE1-CG 4.02Å; F423-P441 HydrophobicContact CZ-CB 3.56Å; F423-P441 HydrophobicContact CZ-CG 4.12Å; F423-C444 HydrophobicContact CE2-CB 4.27Å; F423-C444 HydrophobicContact CZ-CB 4.5Å
424K91.7Very high93.5Very high143 Ų14349.8 Ų49.862%0.62223%0.232SC*.SBendtrans-60.3133.3176.4-179.3-178.3175.2-174.60110.9E420 R433E420-K424 WeakPolarHBondContact OE1-CA 3.07Å; K424-R433 PolarHBondContact O-NH1 2.79Å; K424-R433 PolarHBondContact O-NH2 2.92Å
425E93.1Very high93.4Very high93 Ų9353.3 Ų53.344%0.43525%0.248SC..SBendtrans50.860.8-174.3-63.9169.472.700111.8E420 F423 L427 K428 R433E420-E425 PolarHBondContact OE1-N 3.02Å; E420-E425 PolarHBondContact OE2-N 3.39Å; F423-E425 PolarHBondContact O-N 3.28Å; E425-L427 PolarHBondContact O-N 2.97Å; E425-L427 VanDerWaalsContact O-N 3.11Å; E425-K428 HydrophobicContact CB-CB 4.16Å; E425-K428 WeakPolarHBondContact O-CB 3.44Å; E425-K428 PolarHBondContact O-N 2.97Å; E425-R433 PolarHBondContact O-NH2 3.17Å
426P92.8Very high93Very high14 Ų1457.1 Ų57.19%0.09127%0.273CS..THydrogen-bonded Turntrans-66.1-22-162.925.3-35000113.8R380 R418 E420 F423R380-P426 VanDerWaalsContact CZ-O 3.29Å; R380-P426 PolarHBondContact NH1-O 3.36Å; R380-P426 PolarHBondContact NH2-O 3.34Å; R418-P426 VanDerWaalsContact O-CB 3.26Å; R418-P426 WeakPolarHBondContact O-CB 3.44Å; R418-P426 WeakPolarHBondContact O-CG 3.31Å; E420-P426 WeakPolarHBondContact OE2-CD 3.19Å; F423-P426 HydrophobicContact CB-CB 4.28Å; F423-P426 WeakPolarHBondContact O-CB 3.45Å; F423-P426 VanDerWaalsContact O-CD 3.31Å; F423-P426 WeakPolarHBondContact O-CD 3.33Å
427L92.1Very high92.7Very high130 Ų13063.9 Ų63.968%0.68131%0.309SS*.THydrogen-bonded Turntrans-88.7-8.2178.5-59.3-178.1000113.3R418 E425R418-L427 HydrophobicContact CG-CD2 4.32Å; E425-L427 PolarHBondContact O-N 2.97Å; E425-L427 VanDerWaalsContact O-N 3.11Å
428K94.9Very high92.3Very high110 Ų11065 Ų6548%0.47832%0.318SS..SBendtrans-79127173.9-175.1-177.9179.6-175.90109.6R380 E425 D430R380-K428 PolarHBondContact NH2-O 3.27Å; E425-K428 HydrophobicContact CB-CB 4.16Å; E425-K428 WeakPolarHBondContact O-CB 3.44Å; E425-K428 PolarHBondContact O-N 2.97Å; K428-D430 PolarHBondContact O-N 3.33Å
429F96.1Very high91.8Very high7 Ų770 Ų703%0.03135%0.353CS..  trans-75.2106.9173-169.5-92.5000109.7E335 I342 V374 E377 I381 P431E335-F429 HydrophobicContact CB-CD1 4.45Å; E335-F429 HydrophobicContact CB-CD2 3.97Å; E335-F429 HydrophobicContact CB-CE1 4.33Å; E335-F429 HydrophobicContact CB-CE2 3.84Å; E335-F429 HydrophobicContact CB-CG 4.3Å; E335-F429 HydrophobicContact CB-CZ 4.04Å; E335-F429 HydrophobicContact CG-CD2 3.78Å; E335-F429 HydrophobicContact CG-CE2 3.9Å; E335-F429 HydrophobicContact CG-CG 4.39Å; I342-F429 HydrophobicContact CD1-CD1 3.59Å; I342-F429 HydrophobicContact CD1-CE1 4.01Å; I342-F429 HydrophobicContact CG2-CE1 4.32Å; V374-F429 HydrophobicContact CG1-CE1 4.41Å; V374-F429 HydrophobicContact CG1-CZ 4.03Å; E377-F429 HydrophobicContact CB-CE2 4.06Å; E377-F429 HydrophobicContact CB-CZ 4.19Å; E377-F429 HydrophobicContact CG-CD1 4.43Å; E377-F429 HydrophobicContact CG-CD2 3.69Å; E377-F429 HydrophobicContact CG-CE1 4.44Å; E377-F429 HydrophobicContact CG-CE2 3.69Å; E377-F429 HydrophobicContact CG-CG 4.06Å; E377-F429 HydrophobicContact CG-CZ 4.08Å; I381-F429 HydrophobicContact CD1-CB 4.02Å; I381-F429 HydrophobicContact CD1-CD2 3.72Å; I381-F429 HydrophobicContact CD1-CG 4.33Å; F429-P431 HydrophobicContact CD1-CG 4.28Å; F429-P431 HydrophobicContact CE1-CG 3.77Å; F429-P431 HydrophobicContact CZ-CG 4.47Å
430D95.3Very high91.2Very high44 Ų4475.4 Ų75.424%0.23538%0.376CS..  trans-137.898.4-178.1177.27.7000110.7E377 K428 D432 R433E377-D430 VanDerWaalsContact CD-O 3.23Å; E377-D430 PolarHBondContact OE1-N 2.99Å; K428-D430 PolarHBondContact O-N 3.33Å; D430-D432 PolarHBondContact O-N 2.79Å; D430-D432 WeakPolarHBondContact OD1-CB 3Å; D430-D432 PolarHBondContact OD1-N 3.04Å; D430-R433 HydrophobicContact CB-CG 4.16Å; D430-R433 WeakPolarHBondContact O-CB 3.45Å; D430-R433 WeakPolarHBondContact O-CD 3.21Å; D430-R433 VanDerWaalsContact O-CG 3.23Å; D430-R433 WeakPolarHBondContact O-CG 3.41Å; D430-R433 PolarHBondContact O-N 3.43Å
431P95.8Very high90.7Very high1 Ų171.6 Ų71.61%0.00636%0.36CS..G310 helixtrans-60.1-29.8177.3-26.335.9000114.1I342 Y370 Q373 V374 F429 R433 F434I342-P431 HydrophobicContact CD1-CG 4.09Å; I342-P431 HydrophobicContact CG2-CG 3.89Å; Y370-P431 HydrophobicContact CE2-CB 3.83Å; Q373-P431 HydrophobicContact CB-CB 4.01Å; Q373-P431 WeakPolarHBondContact CB-O 3.15Å; Q373-P431 PolarHBondContact OE1-O 3.5Å; V374-P431 HydrophobicContact CG2-CB 4.01Å; V374-P431 HydrophobicContact CG2-CG 3.8Å; F429-P431 HydrophobicContact CD1-CG 4.28Å; F429-P431 HydrophobicContact CE1-CG 3.77Å; F429-P431 HydrophobicContact CZ-CG 4.47Å; P431-R433 PolarHBondContact O-N 2.88Å; P431-F434 PolarHBondContact O-N 3.12Å
432D93.6Very high90.4Very high69 Ų6971.3 Ų71.337%0.36936%0.356SS..G310 helixtrans-67.3-12.8-173.7-67.3-29.8000111.7K345 Y370 D430 F434 H435K345-D432 IonicContact NZ-OD1 2.76Å; K345-D432 PolarHBondContact NZ-OD1 3.33Å; K345-D432 IonicContact NZ-OD2 3.13Å; K345-D432 PolarHBondContact NZ-OD2 2.99Å; Y370-D432 WeakPolarHBondContact CE2-OD1 3.36Å; D430-D432 PolarHBondContact O-N 2.79Å; D430-D432 WeakPolarHBondContact OD1-CB 3Å; D430-D432 PolarHBondContact OD1-N 3.04Å; D432-F434 PolarHBondContact O-N 2.59Å; D432-H435 WeakPolarHBondContact O-CB 3.36Å; D432-H435 PolarHBondContact O-N 2.88Å; D432-H435 VanDerWaalsContact O-N 3.09Å
433R92.6Very high90.4Very high45 Ų4572 Ų7217%0.1736%0.358CS..G310 helixtrans-57-28.7167.1-63.6177.2-168.6-72.71.5113.7E377 K424 E425 D430 P431 A438E377-R433 IonicContact OE1-NE 3.39Å; K424-R433 PolarHBondContact O-NH1 2.79Å; K424-R433 PolarHBondContact O-NH2 2.92Å; E425-R433 PolarHBondContact O-NH2 3.17Å; D430-R433 HydrophobicContact CB-CG 4.16Å; D430-R433 WeakPolarHBondContact O-CB 3.45Å; D430-R433 WeakPolarHBondContact O-CD 3.21Å; D430-R433 VanDerWaalsContact O-CG 3.23Å; D430-R433 WeakPolarHBondContact O-CG 3.41Å; D430-R433 PolarHBondContact O-N 3.43Å; P431-R433 PolarHBondContact O-N 2.88Å; R433-A438 WeakPolarHBondContact O-CB 3.31Å
434F93.5Very high90.4Very high19 Ų1972 Ų728%0.08336%0.359CS..G310 helixtrans-101.812.8-179.4-69.2-74.5000112.8Q373 K376 E377 R380 P431 D432 P441 Y445Q373-F434 HydrophobicContact CB-CB 4.27Å; Q373-F434 HydrophobicContact CG-CB 4.12Å; K376-F434 HydrophobicContact CB-CB 4.25Å; K376-F434 HydrophobicContact CB-CD1 3.97Å; K376-F434 HydrophobicContact CB-CD2 3.73Å; K376-F434 HydrophobicContact CB-CE1 4.22Å; K376-F434 HydrophobicContact CB-CE2 4Å; K376-F434 HydrophobicContact CB-CG 3.7Å; K376-F434 HydrophobicContact CB-CZ 4.23Å; K376-F434 HydrophobicContact CD-CB 3.9Å; K376-F434 HydrophobicContact CD-CD1 3.85Å; K376-F434 HydrophobicContact CD-CG 3.93Å; K376-F434 HydrophobicContact CG-CD1 4.48Å; K376-F434 HydrophobicContact CG-CG 4.5Å; E377-F434 HydrophobicContact CB-CD2 4.13Å; E377-F434 HydrophobicContact CB-CE2 4.18Å; E377-F434 VanDerWaalsContact OE2-CE2 3.22Å; E377-F434 WeakPolarHBondContact OE2-CE2 3.44Å; R380-F434 HydrophobicContact CB-CE2 4.11Å; R380-F434 HydrophobicContact CB-CZ 4.05Å; R380-F434 HydrophobicContact CG-CZ 4.42Å; P431-F434 PolarHBondContact O-N 3.12Å; D432-F434 PolarHBondContact O-N 2.59Å; F434-P441 HydrophobicContact CE1-CG 3.99Å; F434-Y445 HydrophobicContact CE1-CD1 4.01Å; F434-Y445 HydrophobicContact CE1-CD2 4.04Å; F434-Y445 HydrophobicContact CE1-CE1 4.03Å; F434-Y445 HydrophobicContact CE1-CE2 4.06Å; F434-Y445 HydrophobicContact CE1-CG 4Å; F434-Y445 AromaticContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CE1 4.45Å; F434-Y445 AromaticContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CG 4.16Å
435H92Very high90.4Very high76 Ų7667.3 Ų67.335%0.35234%0.338SS..  trans-54.4143.6173.2-166.4-94.1000110.5D432 D437 A438D432-H435 WeakPolarHBondContact O-CB 3.36Å; D432-H435 PolarHBondContact O-N 2.88Å; D432-H435 VanDerWaalsContact O-N 3.09Å; H435-D437 IonicContact CE1-OD2 3.84Å; H435-D437 PolarHBondContact CE1-OD2 3.17Å; H435-D437 PolarHBondContact ND1-N 3.01Å; H435-D437 IonicContact ND1-OD2 3.13Å; H435-D437 PolarHBondContact ND1-OD2 3.37Å; H435-D437 PolarHBondContact O-N 3.46Å; H435-D437 VanDerWaalsContact O-N 3.11Å; H435-A438 HydrophobicContact CB-CB 4.09Å; H435-A438 WeakPolarHBondContact O-CB 3.33Å; H435-A438 PolarHBondContact O-N 3.29Å
436P87.4Confident90.5Very high81 Ų8163.2 Ų63.253%0.52632%0.319SS..THydrogen-bonded Turntrans-52-34.2179.4-30.336.8000114.7V369V369-P436 HydrophobicContact CG1-CG 4.09Å
437D88.3Confident90.4Very high142 Ų14263.6 Ų63.676%0.75932%0.321SS*.THydrogen-bonded Turntrans-89.1-6.1-180-54.7-42.1000114H435H435-D437 IonicContact CE1-OD2 3.84Å; H435-D437 PolarHBondContact CE1-OD2 3.17Å; H435-D437 PolarHBondContact ND1-N 3.01Å; H435-D437 IonicContact ND1-OD2 3.13Å; H435-D437 PolarHBondContact ND1-OD2 3.37Å; H435-D437 PolarHBondContact O-N 3.46Å; H435-D437 VanDerWaalsContact O-N 3.11Å
438A85.7Confident90.5Very high25 Ų2559 Ų5921%0.20730%0.295CS..SBendtrans-75.6151.4178.900000111.6R433 H435 K440R433-A438 WeakPolarHBondContact O-CB 3.31Å; H435-A438 HydrophobicContact CB-CB 4.09Å; H435-A438 WeakPolarHBondContact O-CB 3.33Å; H435-A438 PolarHBondContact O-N 3.29Å; A438-K440 PolarHBondContact O-N 3.21Å
439P83.5Confident90.4Very high124 Ų12454.7 Ų54.781%0.80528%0.281SS*.PPolyproline II helixtrans-55.4124.4171.8-24.434000111.3
440K81.9Confident90.2Very high137 Ų13756.3 Ų56.360%0.59629%0.289SS*.PPolyproline II helixtrans-74.1133-178.5-66.1178.6-175.7171.20110.2A438 Y442A438-K440 PolarHBondContact O-N 3.21Å; K440-Y442 HydrophobicContact CB-CD2 4.15Å; K440-Y442 HydrophobicContact CB-CE1 4.34Å; K440-Y442 HydrophobicContact CB-CE2 3.8Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å; K440-Y442 PolarHBondContact O-N 2.76Å
441P81.3Confident90.1Very high30 Ų3055.2 Ų55.220%0.19529%0.289CS..  trans-75.870.8175.730.6-35.2000110.9F423 F434 Y443 C444 Y445F423-P441 HydrophobicContact CE1-CB 3.68Å; F423-P441 HydrophobicContact CE1-CG 4.02Å; F423-P441 HydrophobicContact CZ-CB 3.56Å; F423-P441 HydrophobicContact CZ-CG 4.12Å; F434-P441 HydrophobicContact CE1-CG 3.99Å; P441-Y443 PolarHBondContact O-N 2.75Å; P441-C444 HydrophobicContact CB-CB 4.42Å; P441-C444 PolarHBondContact O-N 2.85Å; P441-Y445 HydrophobicContact CG-CG 4.36Å; P441-Y445 PolarHBondContact O-N 2.87Å
442Y84.3Confident89.8Confident149 Ų14957.3 Ų57.358%0.58430%0.302SS*.THydrogen-bonded Turntrans-57122.4-177.2-71.9-74.2000110.9K440 C444K440-Y442 HydrophobicContact CB-CD2 4.15Å; K440-Y442 HydrophobicContact CB-CE1 4.34Å; K440-Y442 HydrophobicContact CB-CE2 3.8Å; K440-Y442 WeakPolarHBondContact O-CD2 3.41Å; K440-Y442 PolarHBondContact O-N 2.76Å; Y442-C444 PolarHBondContact O-N 2.78Å; Y442-C444 PolarHBondContact O-SG 2.8Å; Y442-C444 VanDerWaalsContact O-SG 3.4Å
443Y91Very high89.7Confident62 Ų6255 Ų5524%0.24329%0.288CS..THydrogen-bonded Turntrans59.74.2177.3-44.6-74.9000115.8P102 T105 K106 M110 M416 P441 F446 L450P102-Y443 VanDerWaalsContact O-CB 3.25Å; P102-Y443 WeakPolarHBondContact O-CB 3.45Å; T105-Y443 WeakPolarHBondContact CG2-O 3.26Å; K106-Y443 HydrophobicContact CB-CD1 3.56Å; K106-Y443 HydrophobicContact CB-CD2 3.91Å; K106-Y443 HydrophobicContact CB-CE1 3.6Å; K106-Y443 HydrophobicContact CB-CE2 3.94Å; K106-Y443 HydrophobicContact CB-CG 3.73Å; K106-Y443 HydrophobicContact CD-CD2 4.31Å; K106-Y443 HydrophobicContact CD-CE1 4.15Å; K106-Y443 HydrophobicContact CD-CE2 3.6Å; K106-Y443 WeakPolarHBondContact CD-OH 3.24Å; K106-Y443 WeakPolarHBondContact CE-OH 3.4Å; K106-Y443 HydrophobicContact CG-CD1 4.06Å; K106-Y443 HydrophobicContact CG-CD2 4.39Å; K106-Y443 HydrophobicContact CG-CE1 3.53Å; K106-Y443 HydrophobicContact CG-CE2 3.9Å; K106-Y443 HydrophobicContact CG-CG 4.47Å; K106-Y443 VanDerWaalsContact CG-CZ 3.43Å; M110-Y443 HydrophobicContact CG-CE1 4.18Å; M110-Y443 HydrophobicContact SD-CE1 4.5Å; M416-Y443 WeakPolarHBondContact CE-O 3.39Å; P441-Y443 PolarHBondContact O-N 2.75Å; Y443-F446 WeakPolarHBondContact O-CD1 3.42Å; Y443-F446 WeakPolarHBondContact O-CE1 3.37Å; Y443-L450 HydrophobicContact CD1-CD1 3.64Å; Y443-L450 HydrophobicContact CE1-CD1 4.34Å
444C90.7Very high89.7Confident10 Ų1054.7 Ų54.77%0.06829%0.293CS..THydrogen-bonded Turntrans-100-16171.6-51.30000112.9P102 M416 F422 F423 P441 Y442P102-C444 WeakPolarHBondContact CG-SG 3.47Å; M416-C444 HydrophobicContact CE-CB 4.11Å; F422-C444 HydrophobicContact CB-CB 4.22Å; F422-C444 HydrophobicContact CD1-CB 4.49Å; F422-C444 VanDerWaalsContact CD1-SG 3.52Å; F422-C444 HydrophobicContact CG-CB 4.2Å; F423-C444 HydrophobicContact CE2-CB 4.27Å; F423-C444 HydrophobicContact CZ-CB 4.5Å; P441-C444 HydrophobicContact CB-CB 4.42Å; P441-C444 PolarHBondContact O-N 2.85Å; Y442-C444 PolarHBondContact O-N 2.78Å; Y442-C444 PolarHBondContact O-SG 2.8Å; Y442-C444 VanDerWaalsContact O-SG 3.4Å
445Y93.1Very high89.7Confident46 Ų4656.2 Ų56.218%0.1831%0.306CS..  trans-122.6107.7177.6177.9-100.3000110.4K376 L379 R380 F434 P441 P447K376-Y445 WeakPolarHBondContact CA-OH 3.46Å; K376-Y445 WeakPolarHBondContact CB-OH 3.27Å; K376-Y445 PolarHBondContact O-OH 2.86Å; L379-Y445 HydrophobicContact CB-CE2 4.46Å; R380-Y445 HydrophobicContact CB-CD2 4.12Å; R380-Y445 HydrophobicContact CB-CE2 3.93Å; R380-Y445 HydrophobicContact CG-CD2 4.36Å; F434-Y445 HydrophobicContact CE1-CD1 4.01Å; F434-Y445 HydrophobicContact CE1-CD2 4.04Å; F434-Y445 HydrophobicContact CE1-CE1 4.03Å; F434-Y445 HydrophobicContact CE1-CE2 4.06Å; F434-Y445 HydrophobicContact CE1-CG 4Å; F434-Y445 AromaticContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CD2 3.73Å; F434-Y445 HydrophobicContact CZ-CE1 4.45Å; F434-Y445 AromaticContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CE2 3.66Å; F434-Y445 HydrophobicContact CZ-CG 4.16Å; P441-Y445 HydrophobicContact CG-CG 4.36Å; P441-Y445 PolarHBondContact O-N 2.87Å; Y445-P447 HydrophobicContact CD2-CG 4.46Å; Y445-P447 HydrophobicContact CE1-CG 3.88Å; Y445-P447 HydrophobicContact CE2-CG 3.79Å; Y445-P447 VanDerWaalsContact CZ-CG 3.47Å; Y445-P447 WeakPolarHBondContact OH-CG 3.5Å
446F94.3Very high89.7Confident7 Ų753.8 Ų53.83%0.03130%0.295CS..  trans-146.953.5-177.551.7-89.2000113.2T105 L109 L411 M416 Y443 F448 A449 L450T105-F446 HydrophobicContact CG2-CD1 4Å; T105-F446 HydrophobicContact CG2-CE1 3.77Å; T105-F446 HydrophobicContact CG2-CZ 4.21Å; L109-F446 HydrophobicContact CD1-CD2 4.25Å; L411-F446 HydrophobicContact CB-CE2 4.27Å; L411-F446 HydrophobicContact CB-CZ 4.28Å; M416-F446 HydrophobicContact CE-CE1 4.45Å; M416-F446 HydrophobicContact SD-CE1 3.63Å; M416-F446 HydrophobicContact SD-CZ 3.86Å; Y443-F446 WeakPolarHBondContact O-CD1 3.42Å; Y443-F446 WeakPolarHBondContact O-CE1 3.37Å; F446-F448 PolarHBondContact O-N 3.22Å; F446-F448 VanDerWaalsContact O-N 3.08Å; F446-A449 WeakPolarHBondContact O-CA 3.02Å; F446-A449 PolarHBondContact O-N 2.82Å; F446-L450 HydrophobicContact CB-CD1 4Å; F446-L450 HydrophobicContact CB-CD2 4.23Å; F446-L450 HydrophobicContact CB-CG 3.7Å
447P92.1Very high89.9Confident21 Ų2150.9 Ų50.914%0.13628%0.28CS..THydrogen-bonded Turntrans-60.8-21.717926.8-35.3000113.4L379 Y445L379-P447 HydrophobicContact CB-CB 4Å; L379-P447 HydrophobicContact CB-CG 4.02Å; L379-P447 HydrophobicContact CD1-CB 4.18Å; L379-P447 HydrophobicContact CD1-CG 4.06Å; L379-P447 HydrophobicContact CD2-CB 4.42Å; L379-P447 HydrophobicContact CG-CB 4.44Å; Y445-P447 HydrophobicContact CD2-CG 4.46Å; Y445-P447 HydrophobicContact CE1-CG 3.88Å; Y445-P447 HydrophobicContact CE2-CG 3.79Å; Y445-P447 VanDerWaalsContact CZ-CG 3.47Å; Y445-P447 WeakPolarHBondContact OH-CG 3.5Å
448F92.8Very high90.1Very high33 Ų3348.3 Ų48.315%0.14526%0.262CS..THydrogen-bonded Turntrans-102.417.1174.8-63.9-77.9000113.4L379 F446 C455 K458 A461 Q462L379-F448 HydrophobicContact CD1-CE2 3.55Å; L379-F448 HydrophobicContact CD1-CZ 3.81Å; F446-F448 PolarHBondContact O-N 3.22Å; F446-F448 VanDerWaalsContact O-N 3.08Å; F448-C455 HydrophobicContact CB-CB 3.89Å; F448-C455 HydrophobicContact CD1-CB 3.9Å; F448-C455 HydrophobicContact CG-CB 4.4Å; F448-C455 WeakPolarHBondContact O-CB 3.3Å; F448-C455 PolarHBondContact O-N 3.45Å; F448-K458 HydrophobicContact CB-CB 4.4Å; F448-K458 HydrophobicContact CB-CD 4.13Å; F448-K458 HydrophobicContact CB-CG 4.2Å; F448-K458 HydrophobicContact CD1-CB 3.97Å; F448-K458 HydrophobicContact CD1-CG 3.98Å; F448-K458 HydrophobicContact CD2-CD 4.31Å; F448-K458 HydrophobicContact CD2-CG 4.01Å; F448-K458 HydrophobicContact CE1-CB 4.48Å; F448-K458 HydrophobicContact CE1-CG 4.36Å; F448-K458 HydrophobicContact CE2-CG 4.4Å; F448-K458 HydrophobicContact CG-CB 4.16Å; F448-K458 HydrophobicContact CG-CD 4.17Å; F448-K458 HydrophobicContact CG-CG 3.79Å; F448-A461 HydrophobicContact CE1-CB 4.22Å; F448-Q462 HydrophobicContact CZ-CG 4.37Å
449A92.8Very high90.4Very high21 Ų2150 Ų5017%0.17427%0.267CS..  trans55-174.6-165.700000113F446F446-A449 WeakPolarHBondContact O-CA 3.02Å; F446-A449 PolarHBondContact O-N 2.82Å
450L92.8Very high90.9Very high41 Ų4144.3 Ų44.322%0.21523%0.23CC..  trans-134.9164.3-179.3-62.9174.2000110.9T105 L109 M110 Y443 F446T105-L450 HydrophobicContact CG2-CD1 4.46Å; L109-L450 HydrophobicContact CB-CB 3.93Å; L109-L450 HydrophobicContact CD1-CB 4.1Å; L109-L450 HydrophobicContact CD1-CD1 4.41Å; L109-L450 HydrophobicContact CD1-CG 4.4Å; M110-L450 HydrophobicContact SD-CB 4.02Å; Y443-L450 HydrophobicContact CD1-CD1 3.64Å; Y443-L450 HydrophobicContact CE1-CD1 4.34Å; F446-L450 HydrophobicContact CB-CD1 4Å; F446-L450 HydrophobicContact CB-CD2 4.23Å; F446-L450 HydrophobicContact CB-CG 3.7Å
451G91.8Very high91.4Very high21 Ų2138.1 Ų38.122%0.21620%0.204CC..SBendtrans73.3-158.217300000114.4L109 M110 R453 S454L109-G451 WeakPolarHBondContact O-CA 3.5Å; M110-G451 PolarHBondContact SD-N 2.66Å; G451-R453 PolarHBondContact O-N 3.18Å; G451-S454 WeakPolarHBondContact O-CB 3.02Å; G451-S454 PolarHBondContact O-N 3.41Å; G451-S454 PolarHBondContact O-OG 2.95Å
452P90.1Very high92Very high45 Ų4539.9 Ų39.929%0.29221%0.21SC..THydrogen-bonded Turntrans-59.9-33.5-172.721.2-31.8000112.5M110 P112 W146 S454M110-P452 WeakPolarHBondContact O-CD 3.33Å; P112-P452 HydrophobicContact CB-CG 4.2Å; W146-P452 HydrophobicContact CH2-CB 3.79Å; W146-P452 WeakPolarHBondContact CH2-O 3.45Å; W146-P452 WeakPolarHBondContact CZ2-O 3.44Å; W146-P452 HydrophobicContact CZ3-CB 4.31Å; P452-S454 VanDerWaalsContact C-N 3.32Å; P452-S454 PolarHBondContact O-N 3.32Å
453R91.2Very high92.5Very high19 Ų1933.2 Ų33.27%0.07218%0.184CC..THydrogen-bonded Turntrans-94.427.8179.5-64.4-178.9173.1-107.910.7113A140 I141 D142 W146 G451A140-R453 PolarHBondContact O-NH1 2.67Å; A140-R453 PolarHBondContact O-NH2 3.33Å; I141-R453 PolarHBondContact O-NH2 2.87Å; D142-R453 PolarHBondContact O-NH2 3.44Å; W146-R453 HydrophobicContact CD2-CG 4.18Å; W146-R453 HydrophobicContact CH2-CG 4.24Å; W146-R453 HydrophobicContact CZ2-CB 4.43Å; W146-R453 HydrophobicContact CZ2-CG 3.76Å; G451-R453 PolarHBondContact O-N 3.18Å
454S93Very high92.7Very high39 Ų3930.3 Ų30.327%0.27317%0.173SC..SBendtrans-66157.9171.7660000111.5R150 G451 P452 L456R150-S454 PolarHBondContact NH1-O 3.37Å; G451-S454 WeakPolarHBondContact O-CB 3.02Å; G451-S454 PolarHBondContact O-N 3.41Å; G451-S454 PolarHBondContact O-OG 2.95Å; P452-S454 VanDerWaalsContact C-N 3.32Å; P452-S454 PolarHBondContact O-N 3.32Å; S454-L456 PolarHBondContact O-N 3.38Å
455C93.6Very high92.9Very high52 Ų5229.8 Ų29.835%0.35117%0.17SC..  trans-53.7123.7179.7-175.70000111.4F448 G457 K458F448-C455 HydrophobicContact CB-CB 3.89Å; F448-C455 HydrophobicContact CD1-CB 3.9Å; F448-C455 HydrophobicContact CG-CB 4.4Å; F448-C455 WeakPolarHBondContact O-CB 3.3Å; F448-C455 PolarHBondContact O-N 3.45Å; C455-G457 PolarHBondContact SG-N 3.37Å; C455-K458 HydrophobicContact CB-CB 4.34Å
456L92.1Very high93Very high24 Ų2429.2 Ų29.213%0.12617%0.168CC..THydrogen-bonded Turntrans-64.4-43174.7179.767.4000110.8L137 M153 D154 F157 F316 S454 K458L137-L456 HydrophobicContact CD2-CB 4.43Å; L137-L456 HydrophobicContact CD2-CD2 3.85Å; M153-L456 HydrophobicContact CB-CD2 3.78Å; M153-L456 HydrophobicContact SD-CD2 4.48Å; D154-L456 WeakPolarHBondContact OD1-CD1 3.48Å; F157-L456 HydrophobicContact CB-CD1 3.87Å; F157-L456 HydrophobicContact CB-CG 3.97Å; F157-L456 HydrophobicContact CD1-CG 4.2Å; F157-L456 HydrophobicContact CD2-CD1 4.01Å; F157-L456 HydrophobicContact CD2-CD2 3.47Å; F157-L456 VanDerWaalsContact CD2-CD2 3.47Å; F157-L456 HydrophobicContact CD2-CG 3.6Å; F157-L456 HydrophobicContact CE2-CD2 3.54Å; F157-L456 HydrophobicContact CE2-CG 4.08Å; F157-L456 HydrophobicContact CG-CD1 4.06Å; F157-L456 HydrophobicContact CG-CD2 4.06Å; F157-L456 HydrophobicContact CG-CG 3.66Å; F157-L456 HydrophobicContact CZ-CD2 4.18Å; F316-L456 HydrophobicContact CE1-CD2 4.34Å; S454-L456 PolarHBondContact O-N 3.38Å; L456-K458 PolarHBondContact O-N 2.91Å
457G91.2Very high93.1Very high20 Ų2028.9 Ų28.921%0.20617%0.167CC..THydrogen-bonded Turntrans-79.611.8-17900000115.3C455 N459 F460 A461C455-G457 PolarHBondContact SG-N 3.37Å; G457-N459 PolarHBondContact O-N 2.64Å; G457-F460 WeakPolarHBondContact O-CB 3.18Å; G457-F460 PolarHBondContact O-N 3.26Å; G457-A461 WeakPolarHBondContact O-CB 3.32Å; G457-A461 PolarHBondContact O-N 3.37Å
458K92.9Very high93.3Very high89 Ų8928.1 Ų28.139%0.38716%0.162SC..Hα-helixtrans-55.6-51.1-176.5176.3-177.1172.1-171.40112.1F448 C455 L456 F460 A461 Q462F448-K458 HydrophobicContact CB-CB 4.4Å; F448-K458 HydrophobicContact CB-CD 4.13Å; F448-K458 HydrophobicContact CB-CG 4.2Å; F448-K458 HydrophobicContact CD1-CB 3.97Å; F448-K458 HydrophobicContact CD1-CG 3.98Å; F448-K458 HydrophobicContact CD2-CD 4.31Å; F448-K458 HydrophobicContact CD2-CG 4.01Å; F448-K458 HydrophobicContact CE1-CB 4.48Å; F448-K458 HydrophobicContact CE1-CG 4.36Å; F448-K458 HydrophobicContact CE2-CG 4.4Å; F448-K458 HydrophobicContact CG-CB 4.16Å; F448-K458 HydrophobicContact CG-CD 4.17Å; F448-K458 HydrophobicContact CG-CG 3.79Å; C455-K458 HydrophobicContact CB-CB 4.34Å; L456-K458 PolarHBondContact O-N 2.91Å; K458-F460 VanDerWaalsContact C-N 3.34Å; K458-A461 PolarHBondContact O-N 3.07Å; K458-Q462 WeakPolarHBondContact O-CB 3.41Å; K458-Q462 VanDerWaalsContact O-CG 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.35Å; K458-Q462 PolarHBondContact O-N 2.88Å
459N92.8Very high93.5Very high60 Ų6026.6 Ų26.632%0.32116%0.155SC..Hα-helixtrans-66.8-39.5-178.6-67.7-29.5000111.3T159 L162 G457 Q462 M463T159-N459 PolarHBondContact OG1-ND2 3.35Å; L162-N459 HydrophobicContact CD1-CB 3.8Å; G457-N459 PolarHBondContact O-N 2.64Å; N459-Q462 PolarHBondContact O-N 2.91Å; N459-M463 HydrophobicContact CB-CE 4.31Å; N459-M463 WeakPolarHBondContact O-CB 3.46Å; N459-M463 VanDerWaalsContact O-CG 3.25Å; N459-M463 WeakPolarHBondContact O-CG 3.45Å; N459-M463 PolarHBondContact O-N 3.22Å
460F93Very high93.7Very high5 Ų525.6 Ų25.62%0.02215%0.146CC..Hα-helixtrans-56.5-55.9174.9-176-72.5000111L162 F169 V203 I204 V207 I287 S321 G457 K458 Q462 M463 E464L162-F460 HydrophobicContact CD1-CB 4.18Å; L162-F460 HydrophobicContact CD2-CB 4.48Å; L162-F460 HydrophobicContact CD2-CD2 3.84Å; F169-F460 HydrophobicContact CE1-CD1 4.29Å; F169-F460 HydrophobicContact CE1-CD2 4.36Å; F169-F460 AromaticContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE1 3.87Å; F169-F460 HydrophobicContact CE1-CE2 4Å; F169-F460 HydrophobicContact CE1-CG 4.5Å; F169-F460 AromaticContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CE1-CZ 3.73Å; F169-F460 HydrophobicContact CZ-CD1 4.33Å; F169-F460 AromaticContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CD2 3.73Å; F169-F460 HydrophobicContact CZ-CE1 4.2Å; F169-F460 AromaticContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CE2 3.64Å; F169-F460 HydrophobicContact CZ-CG 4.08Å; F169-F460 AromaticContact CZ-CZ 3.88Å; F169-F460 HydrophobicContact CZ-CZ 3.88Å; V203-F460 HydrophobicContact CG1-CE1 4.06Å; V203-F460 HydrophobicContact CG1-CZ 3.8Å; I204-F460 HydrophobicContact CB-CZ 4.49Å; I204-F460 HydrophobicContact CD1-CE1 4.12Å; I204-F460 HydrophobicContact CD1-CE2 4.05Å; I204-F460 HydrophobicContact CD1-CZ 3.68Å; V207-F460 HydrophobicContact CB-CE2 3.89Å; V207-F460 HydrophobicContact CB-CZ 4.15Å; V207-F460 HydrophobicContact CG1-CD2 4.46Å; V207-F460 HydrophobicContact CG1-CE2 3.55Å; V207-F460 HydrophobicContact CG1-CZ 4.29Å; V207-F460 HydrophobicContact CG2-CE2 4.49Å; I287-F460 HydrophobicContact CD1-CD2 4.3Å; I287-F460 HydrophobicContact CD1-CE2 4.18Å; S321-F460 WeakPolarHBondContact OG-CE1 3.41Å; G457-F460 WeakPolarHBondContact O-CB 3.18Å; G457-F460 PolarHBondContact O-N 3.26Å; K458-F460 VanDerWaalsContact C-N 3.34Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.23Å; F460-M463 PolarHBondContact O-N 2.89Å; F460-M463 VanDerWaalsContact O-N 3.17Å; F460-E464 WeakPolarHBondContact O-CB 3.38Å; F460-E464 PolarHBondContact O-N 3.25Å
461A93Very high93.8Very high7 Ų723.7 Ų23.76%0.05814%0.136CC..Hα-helixtrans-60.9-38.6-178.100000111.9T325 F448 G457 K458 A465T325-A461 WeakPolarHBondContact OG1-CB 3.49Å; F448-A461 HydrophobicContact CE1-CB 4.22Å; G457-A461 WeakPolarHBondContact O-CB 3.32Å; G457-A461 PolarHBondContact O-N 3.37Å; K458-A461 PolarHBondContact O-N 3.07Å; A461-A465 WeakPolarHBondContact O-CB 3.48Å; A461-A465 PolarHBondContact O-N 3.16Å
462Q93.9Very high94Very high66 Ų6622.8 Ų22.831%0.30813%0.127SC..Hα-helixtrans-69-38.6177.1-71.4-175.4-54.700113F448 K458 N459 F460 K466F448-Q462 HydrophobicContact CZ-CG 4.37Å; K458-Q462 WeakPolarHBondContact O-CB 3.41Å; K458-Q462 VanDerWaalsContact O-CG 3.27Å; K458-Q462 WeakPolarHBondContact O-CG 3.35Å; K458-Q462 PolarHBondContact O-N 2.88Å; N459-Q462 PolarHBondContact O-N 2.91Å; F460-Q462 VanDerWaalsContact C-N 3.29Å; F460-Q462 PolarHBondContact O-N 3.23Å; Q462-K466 WeakPolarHBondContact O-CB 3.47Å; Q462-K466 VanDerWaalsContact O-CG 3.24Å; Q462-K466 WeakPolarHBondContact O-CG 3.46Å; Q462-K466 PolarHBondContact O-N 3.46Å
463M94.3Very high94.3Very high9 Ų920.7 Ų20.74%0.04411%0.113CC..Hα-helixtrans-66.4-51175.2-70.8174.8-164.400110.5T159 L162 Y362 L365 N459 F460 A465 K466 V467T159-M463 HydrophobicContact CG2-CE 4.06Å; L162-M463 HydrophobicContact CB-CE 3.75Å; L162-M463 HydrophobicContact CB-SD 3.66Å; L162-M463 HydrophobicContact CD1-CE 4.09Å; L162-M463 HydrophobicContact CD1-SD 4.24Å; Y362-M463 HydrophobicContact CD2-CE 3.88Å; Y362-M463 HydrophobicContact CD2-SD 4.27Å; Y362-M463 HydrophobicContact CE2-CE 3.34Å; Y362-M463 HydrophobicContact CE2-CG 4.37Å; Y362-M463 HydrophobicContact CE2-SD 4.22Å; L365-M463 HydrophobicContact CD1-CB 4.18Å; L365-M463 HydrophobicContact CD1-CG 4.15Å; N459-M463 HydrophobicContact CB-CE 4.31Å; N459-M463 WeakPolarHBondContact O-CB 3.46Å; N459-M463 VanDerWaalsContact O-CG 3.25Å; N459-M463 WeakPolarHBondContact O-CG 3.45Å; N459-M463 PolarHBondContact O-N 3.22Å; F460-M463 PolarHBondContact O-N 2.89Å; F460-M463 VanDerWaalsContact O-N 3.17Å; M463-A465 PolarHBondContact O-N 2.86Å; M463-K466 PolarHBondContact O-N 3.17Å; M463-V467 WeakPolarHBondContact O-CG2 3.22Å; M463-V467 PolarHBondContact O-N 3.38Å
464E94.5Very high94.4Very high1 Ų121 Ų211%0.00512%0.115CC..Hα-helixtrans-54.9-52.1177.5-179.6-177-138.600111.6F169 T200 V203 S321 T325 F460 K466 V467 V468F169-E464 HydrophobicContact CD1-CB 4.09Å; F169-E464 HydrophobicContact CD1-CG 4.48Å; F169-E464 HydrophobicContact CE1-CB 3.84Å; F169-E464 HydrophobicContact CE1-CG 4.44Å; T200-E464 WeakPolarHBondContact CA-OE1 3.24Å; V203-E464 VanDerWaalsContact CB-OE1 3.32Å; V203-E464 WeakPolarHBondContact CB-OE1 3.42Å; V203-E464 HydrophobicContact CG1-CG 4.22Å; V203-E464 VanDerWaalsContact CG1-OE1 3.25Å; V203-E464 WeakPolarHBondContact CG1-OE1 3.11Å; S321-E464 WeakPolarHBondContact CB-OE1 3.37Å; S321-E464 WeakPolarHBondContact CB-OE2 3.34Å; S321-E464 PolarHBondContact OG-OE1 2.8Å; S321-E464 PolarHBondContact OG-OE2 2.83Å; T325-E464 WeakPolarHBondContact CB-OE2 3.5Å; T325-E464 HydrophobicContact CG2-CG 4.25Å; T325-E464 VanDerWaalsContact CG2-OE2 3.31Å; T325-E464 WeakPolarHBondContact CG2-OE2 3.23Å; T325-E464 PolarHBondContact OG1-OE2 3.32Å; T325-E464 VanDerWaalsContact OG1-OE2 3.06Å; F460-E464 WeakPolarHBondContact O-CB 3.38Å; F460-E464 PolarHBondContact O-N 3.25Å; E464-K466 VanDerWaalsContact C-N 3.3Å; E464-K466 PolarHBondContact O-N 2.84Å; E464-V467 PolarHBondContact O-N 3.37Å; E464-V468 WeakPolarHBondContact O-CG2 3.4Å; E464-V468 PolarHBondContact O-N 2.91Å
465A95.5Very high94.4Very high0 Ų021.9 Ų21.90%011%0.113CC..Hα-helixtrans-60-41.2-178.500000112.1T325 L329 L375 A461 M463 M469T325-A465 HydrophobicContact CG2-CB 3.93Å; L329-A465 HydrophobicContact CD2-CB 3.95Å; L329-A465 HydrophobicContact CG-CB 4.41Å; L375-A465 HydrophobicContact CD1-CB 4.05Å; L375-A465 HydrophobicContact CD2-CB 4.31Å; A461-A465 WeakPolarHBondContact O-CB 3.48Å; A461-A465 PolarHBondContact O-N 3.16Å; M463-A465 PolarHBondContact O-N 2.86Å; A465-M469 WeakPolarHBondContact O-CB 3.33Å; A465-M469 VanDerWaalsContact O-CG 3.32Å; A465-M469 WeakPolarHBondContact O-CG 3.37Å; A465-M469 PolarHBondContact O-N 2.89Å
466K95.9Very high94.5Very high33 Ų3319.7 Ų19.714%0.14310%0.097CC..Hα-helixtrans-68.5-43.7178.1-74.5179171.3-163.60112.5L365 L371 S372 L375 Q462 M463 E464 A470L365-K466 HydrophobicContact CB-CD 4.21Å; L365-K466 HydrophobicContact CD2-CB 3.8Å; L365-K466 PolarHBondContact O-NZ 3.24Å; L371-K466 HydrophobicContact CD2-CB 4.4Å; L371-K466 HydrophobicContact CD2-CG 4.38Å; S372-K466 WeakPolarHBondContact OG-CE 3.05Å; S372-K466 PolarHBondContact OG-NZ 3.03Å; L375-K466 HydrophobicContact CD1-CG 3.79Å; Q462-K466 WeakPolarHBondContact O-CB 3.47Å; Q462-K466 VanDerWaalsContact O-CG 3.24Å; Q462-K466 WeakPolarHBondContact O-CG 3.46Å; Q462-K466 PolarHBondContact O-N 3.46Å; M463-K466 PolarHBondContact O-N 3.17Å; E464-K466 VanDerWaalsContact C-N 3.3Å; E464-K466 PolarHBondContact O-N 2.84Å; K466-A470 WeakPolarHBondContact O-CB 3.32Å; K466-A470 PolarHBondContact O-N 3.43Å
467V96.2Very high94.5Very high1 Ų122.3 Ų22.31%0.00611%0.111CC..Hα-helixtrans-61.2-47.7179.2171.60000110.2M166 F169 A173 L365 M463 E464 K471M166-V467 HydrophobicContact CE-CG2 3.76Å; F169-V467 HydrophobicContact CB-CG1 4.49Å; F169-V467 HydrophobicContact CB-CG2 4.41Å; A173-V467 HydrophobicContact CB-CG1 3.8Å; L365-V467 HydrophobicContact CD1-CG2 4.1Å; L365-V467 HydrophobicContact CD2-CG2 3.88Å; M463-V467 WeakPolarHBondContact O-CG2 3.22Å; M463-V467 PolarHBondContact O-N 3.38Å; E464-V467 PolarHBondContact O-N 3.37Å; V467-K471 HydrophobicContact CG1-CD 4.16Å; V467-K471 WeakPolarHBondContact O-CB 3.26Å; V467-K471 WeakPolarHBondContact O-CG 3.42Å; V467-K471 PolarHBondContact O-N 3.21Å; V467-K471 VanDerWaalsContact O-N 3.1Å
468V95.9Very high94.7Very high5 Ų522 Ų223%0.0310%0.104CC..Hα-helixtrans-63.9-48.9-179.81740000111.3A173 L176 L329 E464 L472A173-V468 HydrophobicContact CB-CG2 4.08Å; L176-V468 HydrophobicContact CD2-CG1 3.94Å; L329-V468 HydrophobicContact CD1-CB 4.14Å; L329-V468 HydrophobicContact CD1-CG1 3.98Å; E464-V468 WeakPolarHBondContact O-CG2 3.4Å; E464-V468 PolarHBondContact O-N 2.91Å; V468-L472 WeakPolarHBondContact O-CB 3.37Å; V468-L472 PolarHBondContact O-N 3.46Å
469M96.8Very high94.7Very high0 Ų020.7 Ų20.70%011%0.106CC..Hα-helixtrans-66.9-41179.7-71.8-54.4-58.300113L329 I333 L336 L371 L375 A465 K471 L472 L473L329-M469 HydrophobicContact CD2-CG 3.31Å; L329-M469 HydrophobicContact CD2-SD 3.58Å; L329-M469 VanDerWaalsContact CD2-SD 3.58Å; I333-M469 HydrophobicContact CG1-CE 4.12Å; I333-M469 HydrophobicContact CG1-SD 4.06Å; L336-M469 HydrophobicContact CD1-CE 3.68Å; L371-M469 HydrophobicContact CD1-CB 3.88Å; L371-M469 HydrophobicContact CD1-CG 4.49Å; L371-M469 HydrophobicContact CD2-CB 4.22Å; L375-M469 HydrophobicContact CD2-CG 4.22Å; A465-M469 WeakPolarHBondContact O-CB 3.33Å; A465-M469 VanDerWaalsContact O-CG 3.32Å; A465-M469 WeakPolarHBondContact O-CG 3.37Å; A465-M469 PolarHBondContact O-N 2.89Å; M469-K471 PolarHBondContact O-N 3.45Å; M469-L472 HydrophobicContact CE-CD2 4.22Å; M469-L472 PolarHBondContact O-N 2.85Å; M469-L472 HydrophobicContact SD-CD2 4.3Å; M469-L473 HydrophobicContact CE-CD1 4.41Å; M469-L473 HydrophobicContact CE-CG 4.44Å; M469-L473 WeakPolarHBondContact O-CB 3.47Å; M469-L473 VanDerWaalsContact O-CG 3.24Å; M469-L473 WeakPolarHBondContact O-CG 3.34Å; M469-L473 PolarHBondContact O-N 2.85Å
470A96.6Very high94.7Very high0 Ų019.6 Ų19.60%010%0.1CC..Hα-helixtrans-62.2-45.1179.600000110.8V350 I360 L368 L371 K466 L472 L473 Q474V350-A470 WeakPolarHBondContact CG1-O 3.17Å; I360-A470 HydrophobicContact CD1-CB 3.64Å; L368-A470 HydrophobicContact CD1-CB 3.85Å; L371-A470 HydrophobicContact CD2-CB 4.25Å; K466-A470 WeakPolarHBondContact O-CB 3.32Å; K466-A470 PolarHBondContact O-N 3.43Å; A470-L472 PolarHBondContact O-N 3.4Å; A470-L473 PolarHBondContact O-N 2.87Å; A470-Q474 WeakPolarHBondContact O-CB 3.39Å; A470-Q474 PolarHBondContact O-N 3.32Å
471K95.8Very high94.7Very high1 Ų121.8 Ų21.80%0.00411%0.112CC..Hα-helixtrans-63.8-39.9175.4-75175.9167.5-73.80112.6N170 A173 E174 M177 Q358 I360 V467 M469 Q474 R475N170-K471 WeakPolarHBondContact OD1-CE 3.41Å; A173-K471 HydrophobicContact CB-CD 3.62Å; E174-K471 IonicContact OE2-NZ 2.96Å; E174-K471 PolarHBondContact OE2-NZ 3.33Å; M177-K471 HydrophobicContact CE-CB 4.29Å; M177-K471 HydrophobicContact CG-CB 3.85Å; M177-K471 HydrophobicContact CG-CD 4.45Å; M177-K471 HydrophobicContact SD-CB 3.75Å; Q358-K471 PolarHBondContact O-NZ 2.91Å; I360-K471 HydrophobicContact CD1-CG 3.81Å; V467-K471 HydrophobicContact CG1-CD 4.16Å; V467-K471 WeakPolarHBondContact O-CB 3.26Å; V467-K471 WeakPolarHBondContact O-CG 3.42Å; V467-K471 PolarHBondContact O-N 3.21Å; V467-K471 VanDerWaalsContact O-N 3.1Å; M469-K471 PolarHBondContact O-N 3.45Å; K471-Q474 PolarHBondContact O-N 3.28Å; K471-R475 PolarHBondContact O-N 3.35Å
472L95.9Very high94.4Very high3 Ų327.3 Ų27.32%0.01615%0.147CC..Hα-helixtrans-61.1-51.9176.9-179.666.6000111.3M177 L180 M192 I333 V468 M469 A470 Q474 R475 F476 F478M177-L472 HydrophobicContact CE-CB 4.23Å; M177-L472 HydrophobicContact SD-CB 4.5Å; L180-L472 HydrophobicContact CD1-CD1 3.64Å; M192-L472 HydrophobicContact CE-CD1 3.92Å; M192-L472 HydrophobicContact CE-CD2 4.05Å; I333-L472 HydrophobicContact CD1-CD2 3.81Å; I333-L472 HydrophobicContact CG1-CD2 3.84Å; V468-L472 WeakPolarHBondContact O-CB 3.37Å; V468-L472 PolarHBondContact O-N 3.46Å; M469-L472 HydrophobicContact CE-CD2 4.22Å; M469-L472 PolarHBondContact O-N 2.85Å; M469-L472 HydrophobicContact SD-CD2 4.3Å; A470-L472 PolarHBondContact O-N 3.4Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.49Å; L472-R475 PolarHBondContact O-N 3.36Å; L472-F476 HydrophobicContact CD1-CB 4.35Å; L472-F476 HydrophobicContact CD1-CD2 4.14Å; L472-F476 PolarHBondContact O-N 3.38Å; L472-F478 HydrophobicContact CD2-CD1 4.4Å; L472-F478 HydrophobicContact CD2-CE1 4.11Å; L472-F478 HydrophobicContact CG-CD1 4.35Å; L472-F478 HydrophobicContact CG-CE1 4.26Å
473L95.5Very high93.9Very high1 Ų128 Ų281%0.00517%0.172CC..Hα-helixtrans-67.7-30.2-178.7-66.9167.8000112.9L336 L343 V346 V350 L371 M469 A470 F478 R507L336-L473 HydrophobicContact CD1-CD2 4.33Å; L343-L473 HydrophobicContact CD1-CD2 3.4Å; L343-L473 VanDerWaalsContact CD1-CD2 3.4Å; V346-L473 HydrophobicContact CG1-CD1 3.87Å; V346-L473 HydrophobicContact CG1-CD2 4.28Å; V346-L473 HydrophobicContact CG2-CD1 3.95Å; V350-L473 HydrophobicContact CG1-CB 4.41Å; V350-L473 HydrophobicContact CG2-CB 4.25Å; V350-L473 HydrophobicContact CG2-CD1 4.09Å; L371-L473 HydrophobicContact CD1-CD1 4.16Å; M469-L473 HydrophobicContact CE-CD1 4.41Å; M469-L473 HydrophobicContact CE-CG 4.44Å; M469-L473 WeakPolarHBondContact O-CB 3.47Å; M469-L473 VanDerWaalsContact O-CG 3.24Å; M469-L473 WeakPolarHBondContact O-CG 3.34Å; M469-L473 PolarHBondContact O-N 2.85Å; A470-L473 PolarHBondContact O-N 2.87Å; L473-F478 HydrophobicContact CD2-CE1 3.97Å; L473-F478 HydrophobicContact CD2-CZ 4.38Å; L473-R507 PolarHBondContact O-NH1 3.17Å; L473-R507 VanDerWaalsContact O-NH1 3.16Å
474Q94.5Very high93.7Very high25 Ų2529.4 Ų29.412%0.11718%0.178CC..Hα-helixtrans-65.4-37.8176.5-178.8-171.340.900111.9V350 G355 K357 A470 K471 L472V350-Q474 HydrophobicContact CG1-CB 4Å; G355-Q474 PolarHBondContact O-NE2 2.82Å; K357-Q474 PolarHBondContact O-NE2 2.93Å; A470-Q474 WeakPolarHBondContact O-CB 3.39Å; A470-Q474 PolarHBondContact O-N 3.32Å; K471-Q474 PolarHBondContact O-N 3.28Å; L472-Q474 VanDerWaalsContact C-N 3.31Å; L472-Q474 PolarHBondContact O-N 3.49Å
475R92.9Very high93.3Very high58 Ų5832 Ų3222%0.21919%0.194CC..Hα-helixtrans-111-23.5-165.2-64.1-175.7-172.5-174.15115.3E174 K471 L472 R507E174-R475 VanDerWaalsContact CD-NH1 3.32Å; E174-R475 VanDerWaalsContact CD-NH2 3.26Å; E174-R475 IonicContact OE1-CZ 3.32Å; E174-R475 IonicContact OE1-NH1 3.76Å; E174-R475 PolarHBondContact OE1-NH1 3.31Å; E174-R475 IonicContact OE1-NH2 3.55Å; E174-R475 PolarHBondContact OE1-NH2 3.48Å; E174-R475 IonicContact OE2-CZ 3.81Å; E174-R475 IonicContact OE2-NH1 3.83Å; E174-R475 PolarHBondContact OE2-NH1 2.9Å; E174-R475 IonicContact OE2-NH2 2.7Å; E174-R475 PolarHBondContact OE2-NH2 2.89Å; K471-R475 PolarHBondContact O-N 3.35Å; L472-R475 PolarHBondContact O-N 3.36Å; R475-R507 WeakPolarHBondContact O-CB 3.39Å; R475-R507 PolarHBondContact O-N 3.07Å
476F95Very high92.9Very high6 Ų635.9 Ų35.93%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-132.6136.3-166.8-60-72.7000112.4M177 L180 A184 L472 I504 K505 H506M177-F476 HydrophobicContact CB-CE2 4.21Å; M177-F476 WeakPolarHBondContact O-CZ 3.37Å; M177-F476 HydrophobicContact SD-CD2 4.05Å; M177-F476 HydrophobicContact SD-CE2 3.71Å; L180-F476 HydrophobicContact CB-CD2 4.38Å; L180-F476 HydrophobicContact CB-CE1 4.28Å; L180-F476 HydrophobicContact CB-CE2 3.86Å; L180-F476 HydrophobicContact CB-CZ 3.8Å; L180-F476 HydrophobicContact CD1-CD2 4.47Å; L180-F476 HydrophobicContact CD1-CE2 4.43Å; A184-F476 HydrophobicContact CB-CD1 4.13Å; A184-F476 HydrophobicContact CB-CE1 3.85Å; L472-F476 HydrophobicContact CD1-CB 4.35Å; L472-F476 HydrophobicContact CD1-CD2 4.14Å; L472-F476 PolarHBondContact O-N 3.38Å; F476-I504 HydrophobicContact CB-CG2 3.95Å; F476-I504 HydrophobicContact CD1-CG2 3.45Å; F476-I504 VanDerWaalsContact CD1-CG2 3.45Å; F476-I504 HydrophobicContact CE1-CG2 4.17Å; F476-I504 HydrophobicContact CG-CG2 3.85Å; F476-K505 VanDerWaalsContact CA-O 3.31Å; F476-K505 WeakPolarHBondContact CA-O 3.35Å; F476-H506 AromaticContact CE1-CE1 3.58Å; F476-H506 AromaticContact CE1-ND1 3.71Å
477D93.4Very high92.6Very high78 Ų7838.5 Ų38.542%0.41723%0.227SC..EExtended strand (participates in β ladder)trans-90.2133.9160.2-64.5-38.1000108.2K505 R507D477-K505 HydrophobicContact CB-CB 4.47Å; D477-K505 PolarHBondContact N-O 3.47Å; D477-K505 PolarHBondContact O-N 2.89Å; D477-R507 IonicContact OD1-NE 2.64Å
478F93.9Very high92.3Very high14 Ų1439.3 Ų39.36%0.06123%0.231CC..EExtended strand (participates in β ladder)trans-132.6144.8179.961.5-94000112.1I333 L336 A337 L343 L472 L473 C502 T503 I504I333-F478 HydrophobicContact CB-CE2 4.43Å; I333-F478 HydrophobicContact CG2-CD2 3.88Å; I333-F478 HydrophobicContact CG2-CE2 3.7Å; I333-F478 HydrophobicContact CG2-CZ 4.34Å; I333-F478 WeakPolarHBondContact O-CE2 3.47Å; L336-F478 HydrophobicContact CB-CE2 4.28Å; L336-F478 HydrophobicContact CB-CZ 4.08Å; L336-F478 HydrophobicContact CD1-CZ 4.37Å; A337-F478 HydrophobicContact CB-CD2 4.22Å; A337-F478 HydrophobicContact CB-CE2 4.09Å; L343-F478 HydrophobicContact CD1-CE1 4.25Å; L343-F478 HydrophobicContact CD1-CZ 4.02Å; L472-F478 HydrophobicContact CD2-CD1 4.4Å; L472-F478 HydrophobicContact CD2-CE1 4.11Å; L472-F478 HydrophobicContact CG-CD1 4.35Å; L472-F478 HydrophobicContact CG-CE1 4.26Å; L473-F478 HydrophobicContact CD2-CE1 3.97Å; L473-F478 HydrophobicContact CD2-CZ 4.38Å; F478-C502 HydrophobicContact CB-CB 4.37Å; F478-T503 WeakPolarHBondContact CA-O 3.33Å; F478-I504 HydrophobicContact CB-CD1 3.59Å
479S93Very high92Very high61 Ų6141.7 Ų41.743%0.42724%0.242SC..EExtended strand (participates in β ladder)trans-139.1140.5174.454.40000111.1C502 T503S479-C502 CarbonylContact O-C 3.36Å; S479-C502 VanDerWaalsContact O-CA 3.25Å; S479-C502 WeakPolarHBondContact O-CA 3.3Å; S479-T503 PolarHBondContact N-O 3.43Å; S479-T503 VanDerWaalsContact N-O 3.12Å; S479-T503 PolarHBondContact O-N 3.38Å; S479-T503 PolarHBondContact O-OG1 3.03Å; S479-T503 PolarHBondContact OG-OG1 3.35Å
480L93.6Very high91.6Very high38 Ų3842.8 Ų42.820%0.19925%0.248CC..EExtended strand (participates in β ladder)trans-66.4139.2177.8-72.1167.6000111M334 A337 F486 V500M334-L480 HydrophobicContact CG-CD1 4.16Å; A337-L480 HydrophobicContact CB-CB 4.43Å; A337-L480 HydrophobicContact CB-CD1 3.75Å; A337-L480 HydrophobicContact CB-CG 3.57Å; L480-F486 HydrophobicContact CD1-CE1 4.03Å; L480-F486 HydrophobicContact CD1-CZ 4.16Å; L480-V500 HydrophobicContact CD2-CG1 3.97Å
481I91.7Very high90.8Very high50 Ų5043.3 Ų43.326%0.25625%0.251SS..PPolyproline II helixtrans-67.7135.6169.8-63.6-166.3000109.9P189 Q484 I501 T503P189-I481 HydrophobicContact CB-CD1 3.42Å; P189-I481 VanDerWaalsContact CB-CD1 3.42Å; P189-I481 HydrophobicContact CG-CD1 3.42Å; P189-I481 VanDerWaalsContact CG-CD1 3.42Å; I481-Q484 PolarHBondContact O-NE2 2.89Å; I481-I501 HydrophobicContact CD1-CG2 3.67Å; I481-I501 HydrophobicContact CG1-CG2 4.16Å; I481-I501 PolarHBondContact N-O 2.92Å; I481-T503 HydrophobicContact CD1-CG2 4.37Å; I481-T503 HydrophobicContact CG1-CG2 4.18Å
482P88.4Confident90Very high124 Ų12444.8 Ų44.881%0.80527%0.266SS*.THydrogen-bonded Turntrans-55.9147.2177-25.534.2000113.3
483G83.3Confident89.5Confident81 Ų8145.1 Ų45.184%0.83527%0.269SS*.THydrogen-bonded Turntrans91.61.617500000115.5
484Q89.1Confident89.3Confident37 Ų3745.1 Ų45.117%0.17327%0.269CS..  trans-77.3143.7170.6-68.7176.989.500111.6I481 I501I481-Q484 PolarHBondContact O-NE2 2.89Å; Q484-I501 PolarHBondContact NE2-O 2.95Å
485T86.7Confident89.1Confident56 Ų5645.7 Ų45.734%0.34427%0.27SS..  trans-94.2147.9175.469.60000110.6D487 S498T485-D487 PolarHBondContact O-N 2.84Å; T485-S498 PolarHBondContact N-OG 3.04Å; T485-S498 PolarHBondContact OG1-OG 2.96Å
486F86.1Confident89.1Confident82 Ų8243 Ų4336%0.3626%0.26SS..  trans-90.117.9173.1-60.1-88.7000112.1M334 R338 L480M334-F486 HydrophobicContact CE-CD1 3.87Å; M334-F486 HydrophobicContact CG-CD1 3.63Å; M334-F486 HydrophobicContact CG-CE1 3.64Å; M334-F486 HydrophobicContact SD-CD1 3.63Å; M334-F486 HydrophobicContact SD-CE1 4.24Å; M334-F486 HydrophobicContact SD-CG 4.46Å; R338-F486 HydrophobicContact CB-CE1 4.35Å; R338-F486 HydrophobicContact CG-CZ 4.47Å; L480-F486 HydrophobicContact CD1-CE1 4.03Å; L480-F486 HydrophobicContact CD1-CZ 4.16Å
487D89.3Confident88.9Confident88 Ų8846.7 Ų46.747%0.47128%0.276SS..  trans-71.7153.5-179.7-74.1-19.6000111.2T485 K497T485-D487 PolarHBondContact O-N 2.84Å; D487-K497 HydrophobicContact CB-CB 3.97Å; D487-K497 HydrophobicContact CB-CD 3.79Å; D487-K497 VanDerWaalsContact O-CB 3.24Å; D487-K497 WeakPolarHBondContact O-CB 3.07Å; D487-K497 PolarHBondContact O-N 3.48Å
488L91.8Very high88.6Confident18 Ų1845 Ų459%0.09427%0.271CS..EExtended strand (participates in β ladder)trans-93.2147.4176.6-57.4175.9000110.8I71 F331 Y382 Y414 L494I71-L488 HydrophobicContact CD1-CB 3.77Å; I71-L488 WeakPolarHBondContact CD1-O 3.28Å; I71-L488 HydrophobicContact CG1-CB 3.89Å; F331-L488 HydrophobicContact CE1-CD2 3.41Å; F331-L488 VanDerWaalsContact CE1-CD2 3.41Å; F331-L488 HydrophobicContact CZ-CD2 3.43Å; F331-L488 VanDerWaalsContact CZ-CD2 3.43Å; Y382-L488 HydrophobicContact CD1-CD1 4.49Å; Y382-L488 HydrophobicContact CD1-CD2 3.49Å; Y382-L488 VanDerWaalsContact CD1-CD2 3.49Å; Y382-L488 HydrophobicContact CE1-CD2 3.7Å; Y414-L488 HydrophobicContact CE2-CD1 3.92Å; Y414-L488 WeakPolarHBondContact OH-CD1 3.35Å; L488-L494 HydrophobicContact CD1-CD1 4.48Å
489Q89.6Confident88.3Confident55 Ų5545 Ų4526%0.25728%0.275SS..EExtended strand (participates in β ladder)trans-118.2136.2163.7-171176.450.500109T491 R495 K497Q489-T491 HydrophobicContact CG-CG2 4.13Å; Q489-R495 HydrophobicContact CB-CG 4.04Å; Q489-R495 PolarHBondContact N-O 2.99Å; Q489-R495 PolarHBondContact O-N 3.41Å; Q489-R495 VanDerWaalsContact OE1-CZ 3.23Å; Q489-K497 HydrophobicContact CB-CB 4.19Å; Q489-K497 HydrophobicContact CB-CG 4.44Å
490D87.1Confident88.3Confident23 Ų2342.1 Ų42.112%0.12325%0.254CS..EExtended strand (participates in β ladder)trans-107.7105179.1-178.3-15.3000109.7I71 H73 R238 G492 L494I71-D490 HydrophobicContact CD1-CB 3.91Å; H73-D490 IonicContact CD2-OD2 3.19Å; H73-D490 IonicContact NE2-OD2 3.54Å; R238-D490 IonicContact CZ-OD1 2.82Å; R238-D490 IonicContact CZ-OD2 3.98Å; R238-D490 IonicContact NH1-OD1 3.81Å; R238-D490 PolarHBondContact NH1-OD1 3.41Å; R238-D490 IonicContact NH1-OD2 3.26Å; R238-D490 PolarHBondContact NH1-OD2 3.25Å; R238-D490 IonicContact NH2-OD1 2.67Å; R238-D490 PolarHBondContact NH2-OD1 3.43Å; R238-D490 IonicContact NH2-OD2 2.79Å; R238-D490 PolarHBondContact NH2-OD2 2.98Å; D490-G492 PolarHBondContact OD1-N 3.4Å; D490-G492 VanDerWaalsContact OD1-N 3.13Å; D490-L494 HydrophobicContact CB-CD2 4.04Å
491T80.8Confident88.4Confident10 Ų1043 Ų436%0.06126%0.259CS..SBendtrans-111.722.5177.150.10000112.2Q489 T493 R495Q489-T491 HydrophobicContact CG-CG2 4.13Å; T491-T493 VanDerWaalsContact C-N 3.32Å; T491-T493 PolarHBondContact N-O 2.87Å; T491-R495 WeakPolarHBondContact OG1-CD 3.27Å
492G77.4Confident88.5Confident32 Ų3240.7 Ų40.733%0.3325%0.246SC..SBendtrans103.1-33.7-171.600000111.2D490D490-G492 PolarHBondContact OD1-N 3.4Å; D490-G492 VanDerWaalsContact OD1-N 3.13Å
493T86.7Confident88.8Confident11 Ų1137.3 Ų37.37%0.06722%0.224CC..SBendtrans-110.3157.4157.850.10000109.1E323 T324 T384 T491E323-T493 HydrophobicContact CB-CG2 4.2Å; E323-T493 PolarHBondContact OE2-OG1 3.49Å; T324-T493 HydrophobicContact CG2-CG2 4.33Å; T384-T493 WeakPolarHBondContact O-CA 3.44Å; T384-T493 WeakPolarHBondContact O-CB 3.5Å; T491-T493 VanDerWaalsContact C-N 3.32Å; T491-T493 PolarHBondContact N-O 2.87Å
494L91Very high89.3Confident0 Ų033.7 Ų33.70%019%0.185CC..EExtended strand (participates in β ladder)trans-81.5133.1170.4-60-174.9000109.9I71 N327 F331 P383 T384 P386 Y414 L488 D490I71-L494 HydrophobicContact CG2-CD2 4.44Å; N327-L494 WeakPolarHBondContact CB-O 3.32Å; F331-L494 HydrophobicContact CE2-CB 4.45Å; F331-L494 WeakPolarHBondContact CE2-O 3.47Å; P383-L494 WeakPolarHBondContact O-CD1 3.47Å; T384-L494 PolarHBondContact O-N 2.88Å; T384-L494 VanDerWaalsContact O-N 3.1Å; P386-L494 HydrophobicContact CB-CD1 4.27Å; Y414-L494 HydrophobicContact CD2-CD1 3.49Å; Y414-L494 VanDerWaalsContact CD2-CD1 3.49Å; Y414-L494 HydrophobicContact CE2-CD1 3.56Å; L488-L494 HydrophobicContact CD1-CD1 4.48Å; D490-L494 HydrophobicContact CB-CD2 4.04Å
495R91.3Very high89.5Confident37 Ų3737.8 Ų37.814%0.1420%0.202CC..EExtended strand (participates in β ladder)trans-140.8158.9176.670.6-175.7-168.7-1805.6112.6E227 N327 Q489 T491 K497E227-R495 IonicContact OE1-NH1 2.72Å; E227-R495 IonicContact OE1-NH2 2.7Å; N327-R495 HydrophobicContact CB-CB 4.42Å; N327-R495 WeakPolarHBondContact OD1-CB 3.36Å; Q489-R495 HydrophobicContact CB-CG 4.04Å; Q489-R495 PolarHBondContact N-O 2.99Å; Q489-R495 PolarHBondContact O-N 3.41Å; Q489-R495 VanDerWaalsContact OE1-CZ 3.23Å; T491-R495 WeakPolarHBondContact OG1-CD 3.27Å; R495-K497 PolarHBondContact O-N 2.91Å
496P92.3Very high89.8Confident2 Ų238.7 Ų38.71%0.01320%0.202CC..EExtended strand (participates in β ladder)trans-62.4127.9175.2-21.332.3000111.9A330 F331 M334 G499 V500A330-P496 HydrophobicContact CB-CG 4.07Å; F331-P496 HydrophobicContact CD1-CG 3.74Å; F331-P496 HydrophobicContact CE1-CB 4.17Å; F331-P496 HydrophobicContact CE1-CG 3.61Å; F331-P496 HydrophobicContact CG-CG 4.25Å; F331-P496 HydrophobicContact CZ-CG 4.04Å; M334-P496 HydrophobicContact SD-CB 4.44Å; P496-G499 WeakPolarHBondContact CB-O 3.46Å; P496-G499 PolarHBondContact O-N 3.12Å; P496-V500 HydrophobicContact CB-CG2 4Å; P496-V500 HydrophobicContact CG-CG2 3.78Å
497K90.4Very high89.8Confident84 Ų8438.3 Ų38.337%0.36520%0.199SC..THydrogen-bonded Turntrans-67.6-42.5-175.7-175.7177.2-179.8176.90113D487 Q489 R495 G499D487-K497 HydrophobicContact CB-CB 3.97Å; D487-K497 HydrophobicContact CB-CD 3.79Å; D487-K497 VanDerWaalsContact O-CB 3.24Å; D487-K497 WeakPolarHBondContact O-CB 3.07Å; D487-K497 PolarHBondContact O-N 3.48Å; Q489-K497 HydrophobicContact CB-CB 4.19Å; Q489-K497 HydrophobicContact CB-CG 4.44Å; R495-K497 PolarHBondContact O-N 2.91Å; K497-G499 PolarHBondContact O-N 3.18Å
498S87.4Confident88.8Confident43 Ų4347 Ų4730%0.30123%0.232SC..THydrogen-bonded Turntrans-81.53.6177.7-68.50000113.5T485T485-S498 PolarHBondContact N-OG 3.04Å; T485-S498 PolarHBondContact OG1-OG 2.96Å
499G88.1Confident88.7Confident14 Ų1448.5 Ų48.514%0.14424%0.239CC..  trans69.8-157.8-162.800000111.3P496 K497P496-G499 WeakPolarHBondContact CB-O 3.46Å; P496-G499 PolarHBondContact O-N 3.12Å; K497-G499 PolarHBondContact O-N 3.18Å
500V93.3Very high88.6Confident0 Ų048.1 Ų48.10%024%0.238CC..  trans-140.499.9173.8-178.40000107.5N191 M192 L193 A330 I333 M334 L480 P496N191-V500 CarbonylContact C-O 3.51Å; M192-V500 HydrophobicContact CB-CB 4.18Å; M192-V500 HydrophobicContact CB-CG1 3.94Å; M192-V500 WeakPolarHBondContact CB-O 3.44Å; M192-V500 HydrophobicContact CG-CG1 4.4Å; M192-V500 PolarHBondContact N-O 2.9Å; L193-V500 HydrophobicContact CB-CB 4.36Å; L193-V500 HydrophobicContact CB-CG2 4.48Å; A330-V500 HydrophobicContact CB-CG2 3.85Å; I333-V500 HydrophobicContact CB-CG1 4.36Å; I333-V500 HydrophobicContact CG2-CG1 3.84Å; M334-V500 HydrophobicContact CB-CG2 4.3Å; L480-V500 HydrophobicContact CD2-CG1 3.97Å; P496-V500 HydrophobicContact CB-CG2 4Å; P496-V500 HydrophobicContact CG-CG2 3.78Å
501I95.3Very high88.7Confident57 Ų5749.5 Ų49.529%0.29225%0.245SC..EExtended strand (participates in β ladder)trans-108.4119.9-176.7-50177.9000108.4P189 A190 I481 Q484P189-I501 HydrophobicContact CB-CG2 3.56Å; A190-I501 CarbonylContact O-C 3.46Å; A190-I501 WeakPolarHBondContact O-CA 3.43Å; I481-I501 HydrophobicContact CD1-CG2 3.67Å; I481-I501 HydrophobicContact CG1-CG2 4.16Å; I481-I501 PolarHBondContact N-O 2.92Å; Q484-I501 PolarHBondContact NE2-O 2.95Å
502C93.7Very high89.2Confident0 Ų051.8 Ų51.80%026%0.255CS..EExtended strand (participates in β ladder)trans-123.6149.6-176-63.30000111.3A190 M192 F478 S479 I504A190-C502 PolarHBondContact N-O 2.92Å; A190-C502 PolarHBondContact O-N 3.46Å; M192-C502 HydrophobicContact CG-CB 3.88Å; F478-C502 HydrophobicContact CB-CB 4.37Å; S479-C502 CarbonylContact O-C 3.36Å; S479-C502 VanDerWaalsContact O-CA 3.25Å; S479-C502 WeakPolarHBondContact O-CA 3.3Å; C502-I504 HydrophobicContact CB-CD1 3.85Å
503T93.5Very high89.9Confident53 Ų5353.1 Ų53.133%0.32525%0.251SS..EExtended strand (participates in β ladder)trans-85.1135.4155.653.30000108.3F478 S479 I481F478-T503 WeakPolarHBondContact CA-O 3.33Å; S479-T503 PolarHBondContact N-O 3.43Å; S479-T503 VanDerWaalsContact N-O 3.12Å; S479-T503 PolarHBondContact O-N 3.38Å; S479-T503 PolarHBondContact O-OG1 3.03Å; S479-T503 PolarHBondContact OG-OG1 3.35Å; I481-T503 HydrophobicContact CD1-CG2 4.37Å; I481-T503 HydrophobicContact CG1-CG2 4.18Å
504I94.3Very high90.1Very high5 Ų555.9 Ų55.93%0.02626%0.263CS..EExtended strand (participates in β ladder)trans-115.4136.5-177-54.1-60.8000108.6L180 A184 D185 A190 M192 F476 F478 C502L180-I504 HydrophobicContact CD2-CG1 4.2Å; A184-I504 WeakPolarHBondContact CA-O 3.42Å; A184-I504 HydrophobicContact CB-CG2 4.02Å; D185-I504 PolarHBondContact N-O 3.02Å; A190-I504 HydrophobicContact CB-CD1 4.41Å; A190-I504 HydrophobicContact CB-CG1 3.69Å; M192-I504 HydrophobicContact SD-CD1 3.9Å; F476-I504 HydrophobicContact CB-CG2 3.95Å; F476-I504 HydrophobicContact CD1-CG2 3.45Å; F476-I504 VanDerWaalsContact CD1-CG2 3.45Å; F476-I504 HydrophobicContact CE1-CG2 4.17Å; F476-I504 HydrophobicContact CG-CG2 3.85Å; F478-I504 HydrophobicContact CB-CD1 3.59Å; C502-I504 HydrophobicContact CB-CD1 3.85Å
505K93.2Very high90Very high124 Ų12459.9 Ų59.954%0.53928%0.282SS..EExtended strand (participates in β ladder)trans-130.4147.5174.3-70.4-178.8179.8176.60110.3D185 F476 D477 R507D185-K505 VanDerWaalsContact OD1-CA 3.31Å; D185-K505 WeakPolarHBondContact OD1-CA 3.45Å; D185-K505 WeakPolarHBondContact OD1-CB 3.5Å; F476-K505 VanDerWaalsContact CA-O 3.31Å; F476-K505 WeakPolarHBondContact CA-O 3.35Å; D477-K505 HydrophobicContact CB-CB 4.47Å; D477-K505 PolarHBondContact N-O 3.47Å; D477-K505 PolarHBondContact O-N 2.89Å; K505-R507 PolarHBondContact O-N 3.32Å
506H92.4Very high89.9Confident74 Ų7461.6 Ų61.634%0.34329%0.293SS..EExtended strand (participates in β ladder)trans-65.7130.9169.6-82.9-66.3000109.9S181 D185 F476S181-H506 PolarHBondContact OG-CE1 3.46Å; S181-H506 PolarHBondContact OG-NE2 3.23Å; S181-H506 VanDerWaalsContact OG-NE2 3.11Å; D185-H506 PolarHBondContact OD1-N 3.15Å; D185-H506 IonicContact OD2-CD2 2.73Å; D185-H506 PolarHBondContact OD2-CD2 3.32Å; D185-H506 VanDerWaalsContact OD2-CD2 3.31Å; D185-H506 IonicContact OD2-CG 2.63Å; F476-H506 AromaticContact CE1-CE1 3.58Å; F476-H506 AromaticContact CE1-ND1 3.71Å
507R86.6Confident89.7Confident75 Ų7566.6 Ų66.628%0.28332%0.316SS..  trans-75134.5175.1-164.7165.5170.7-125.6-17.8109.2T347 D351 L473 R475 D477 K505T347-R507 VanDerWaalsContact CG2-NH2 3.29Å; D351-R507 IonicContact OD1-CZ 2.74Å; D351-R507 IonicContact OD1-NH1 2.72Å; D351-R507 PolarHBondContact OD1-NH1 3.26Å; D351-R507 IonicContact OD1-NH2 3.63Å; D351-R507 IonicContact OD2-CZ 3.09Å; D351-R507 IonicContact OD2-NH1 2.86Å; D351-R507 PolarHBondContact OD2-NH1 3.1Å; D351-R507 IonicContact OD2-NH2 2.93Å; D351-R507 PolarHBondContact OD2-NH2 3.31Å; L473-R507 PolarHBondContact O-NH1 3.17Å; L473-R507 VanDerWaalsContact O-NH1 3.16Å; R475-R507 WeakPolarHBondContact O-CB 3.39Å; R475-R507 PolarHBondContact O-N 3.07Å; D477-R507 IonicContact OD1-NE 2.64Å; K505-R507 PolarHBondContact O-N 3.32Å
508K68.9Low89.7Confident270 Ų27065 Ų65100%1.17431%0.312SS*.  trans-83.50-173.7-72.3-173.7178.1-1790113.6

Retrieved 508 of 508 residues in 416 ms (Link to these results)