A0A061IF59_CRIGR Loading...

Signal transducing adapter molecule 1

Involved in intracellular signal transduction mediated by cytokines and growth factors. Upon IL-2 and GM-CSL stimulation, it plays a role in signaling leading to DNA synthesis and MYC induction. May also play a role in T-cell development. Involved in down-regulation of receptor tyrosine kinase via multivesicular body (MVBs) when complexed with HGS (ESCRT-0 complex). The ESCRT-0 complex binds ubiquitin and acts as a sorting machinery that recognizes ubiquitinated receptors and transfers them to further sequential lysosomal sorting/trafficking processes.

AlphaFold DB , UniProt , Accession A0A061IF59, Species CRIGR (Cricetulus griseus, Chinese hamster), Gene Stam, Length 553 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
1M43.1Very low75.9Confident217 Ų217108.1 Ų108.1100%1.06960%0.601SS**  0131.70-58.8-52-155.300108.6
2P49.5Very low77.4Confident107 Ų107101.1 Ų101.170%0.69556%0.561SS**  trans-63.5139.2159.5-12.528.6000108.9F4P2-F4 HydrophobicContact CB-CD2 3.8Å; P2-F4 HydrophobicContact CB-CE2 4.36Å; P2-F4 PolarHBondContact O-N 3.15Å
3L54.6Low78.8Confident169 Ų16993.3 Ų93.389%0.88552%0.518SS*.  trans-90.631.9-179.2-69.5171.8000112.4
4F71.8Confident80Confident173 Ų17394.8 Ų94.876%0.75952%0.519SS*.  trans-108.5117.7-174.9-54.8-60.8000109.8P2 T6P2-F4 HydrophobicContact CB-CD2 3.8Å; P2-F4 HydrophobicContact CB-CE2 4.36Å; P2-F4 PolarHBondContact O-N 3.15Å; F4-T6 PolarHBondContact O-N 3.06Å
5A71.8Confident81Confident106 Ų10695.1 Ų95.188%0.87651%0.513SS*.  trans-66.2115.9166.800000108.4N7A5-N7 PolarHBondContact O-N 3.13Å
6T83Confident81.8Confident135 Ų13589.6 Ų89.683%0.82849%0.485SS*.  trans-70.8121177.947.20000109.7F4F4-T6 PolarHBondContact O-N 3.06Å
7N89.2Confident82.6Confident23 Ų2384.4 Ų84.412%0.12346%0.457CS..  trans-68.6127.5176.5173.4-18.1000109.6A5 F9 D10 D45 R52A5-N7 PolarHBondContact O-N 3.13Å; N7-F9 PolarHBondContact O-N 2.74Å; N7-F9 VanDerWaalsContact O-N 3.09Å; N7-F9 PolarHBondContact OD1-N 2.78Å; N7-D10 WeakPolarHBondContact CB-OD1 3.28Å; N7-D10 PolarHBondContact ND2-OD1 2.96Å; N7-D10 PolarHBondContact O-N 3Å; N7-D10 VanDerWaalsContact O-N 3.16Å; N7-D45 PolarHBondContact ND2-O 2.78Å; N7-R52 PolarHBondContact ND2-NH2 2.9Å; N7-R52 VanDerWaalsContact ND2-NH2 3.18Å
8P90.7Very high83.3Confident75 Ų7581.3 Ų81.349%0.48744%0.443SS..THydrogen-bonded Turntrans-68.2-7.6-173.928.4-35.9000114.6K35P8-K35 PolarHBondContact O-NZ 2.86Å
9F93.8Very high83.8Confident4 Ų484 Ų842%0.01845%0.452CS..THydrogen-bonded Turntrans-95-21.5175.2-65.3-90.2000113.3N7 Q11 D12 V13 I32 K35 V36 D45 C46N7-F9 PolarHBondContact O-N 2.74Å; N7-F9 VanDerWaalsContact O-N 3.09Å; N7-F9 PolarHBondContact OD1-N 2.78Å; F9-Q11 VanDerWaalsContact C-N 3.29Å; F9-Q11 PolarHBondContact O-N 3.39Å; F9-D12 PolarHBondContact O-N 3.11Å; F9-V13 HydrophobicContact CB-CG2 4.03Å; F9-V13 WeakPolarHBondContact O-CB 3.39Å; F9-V13 VanDerWaalsContact O-CG2 3.31Å; F9-V13 WeakPolarHBondContact O-CG2 3.48Å; F9-V13 PolarHBondContact O-N 2.86Å; F9-I32 HydrophobicContact CD1-CG2 4.38Å; F9-K35 HydrophobicContact CD1-CD 4.15Å; F9-K35 HydrophobicContact CD1-CG 4.5Å; F9-K35 HydrophobicContact CE1-CB 3.93Å; F9-K35 HydrophobicContact CE1-CD 3.87Å; F9-K35 HydrophobicContact CE1-CG 3.74Å; F9-K35 HydrophobicContact CZ-CD 4.49Å; F9-K35 HydrophobicContact CZ-CG 4.1Å; F9-K35 WeakPolarHBondContact CZ-O 3.47Å; F9-V36 HydrophobicContact CD1-CG2 4.45Å; F9-V36 HydrophobicContact CE1-CG2 3.72Å; F9-V36 HydrophobicContact CZ-CG2 4.15Å; F9-D45 HydrophobicContact CD2-CB 3.95Å; F9-D45 HydrophobicContact CE2-CB 4.17Å; F9-C46 HydrophobicContact CB-CB 4.39Å; F9-C46 HydrophobicContact CD1-CB 3.67Å; F9-C46 HydrophobicContact CD2-CB 4.07Å; F9-C46 HydrophobicContact CE1-CB 3.92Å; F9-C46 HydrophobicContact CE2-CB 4.32Å; F9-C46 HydrophobicContact CG-CB 3.76Å; F9-C46 HydrophobicContact CZ-CB 4.25Å
10D93.6Very high84.2Confident43 Ų4387.8 Ų87.823%0.2347%0.469CS..Hα-helixtrans-57-39.9-170.4-75.25000112.9N7 D12 E14 S49 R52N7-D10 WeakPolarHBondContact CB-OD1 3.28Å; N7-D10 PolarHBondContact ND2-OD1 2.96Å; N7-D10 PolarHBondContact O-N 3Å; N7-D10 VanDerWaalsContact O-N 3.16Å; D10-D12 PolarHBondContact O-N 3.13Å; D10-E14 WeakPolarHBondContact O-CB 3.03Å; D10-E14 PolarHBondContact O-N 3.24Å; D10-S49 WeakPolarHBondContact CA-OG 3.49Å; D10-S49 VanDerWaalsContact OD1-CB 3.24Å; D10-S49 WeakPolarHBondContact OD1-CB 3.4Å; D10-S49 PolarHBondContact OD1-OG 2.74Å; D10-R52 VanDerWaalsContact CG-NH2 3.33Å; D10-R52 IonicContact OD1-CZ 2.68Å; D10-R52 IonicContact OD1-NH1 3.52Å; D10-R52 IonicContact OD1-NH2 3.65Å; D10-R52 PolarHBondContact OD1-NH2 3.27Å; D10-R52 IonicContact OD2-CZ 3.15Å; D10-R52 IonicContact OD2-NH1 3.51Å; D10-R52 PolarHBondContact OD2-NH1 2.86Å; D10-R52 IonicContact OD2-NH2 2.73Å; D10-R52 PolarHBondContact OD2-NH2 3.34Å; D10-R52 VanDerWaalsContact OD2-NH2 3.15Å
11Q93.8Very high84.6Confident137 Ų13785.6 Ų85.664%0.6446%0.457SS*.Hα-helixtrans-66.7-36179.8-172.1-179.112.200113.3F9 K15F9-Q11 VanDerWaalsContact C-N 3.29Å; F9-Q11 PolarHBondContact O-N 3.39Å; Q11-K15 VanDerWaalsContact O-CG 3.32Å; Q11-K15 WeakPolarHBondContact O-CG 3.17Å; Q11-K15 PolarHBondContact O-N 3.26Å
12D94.4Very high86.8Confident24 Ų2482.2 Ų82.213%0.12845%0.449CS..Hα-helixtrans-89.4-37.5-174.1-58.4-41.1000110.9F9 D10 E14 K15 A16 L28 I32 K35F9-D12 PolarHBondContact O-N 3.11Å; D10-D12 PolarHBondContact O-N 3.13Å; D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 3.05Å; D12-K15 WeakPolarHBondContact O-CB 3.12Å; D12-K15 PolarHBondContact O-N 2.85Å; D12-K15 IonicContact OD1-NZ 2.62Å; D12-K15 PolarHBondContact OD1-NZ 2.87Å; D12-A16 PolarHBondContact O-N 2.79Å; D12-L28 HydrophobicContact CB-CD1 4.35Å; D12-I32 HydrophobicContact CB-CD1 4.14Å; D12-I32 HydrophobicContact CB-CG1 4Å; D12-K35 IonicContact OD2-NZ 2.65Å; D12-K35 PolarHBondContact OD2-NZ 2.96Å
13V95.8Very high88.7Confident0 Ų080.3 Ų80.30%044%0.442CS..Hα-helixtrans-62-38.4169.6174.60000110.8F9 A16 T17 I32 I50 R53 L68F9-V13 HydrophobicContact CB-CG2 4.03Å; F9-V13 WeakPolarHBondContact O-CB 3.39Å; F9-V13 VanDerWaalsContact O-CG2 3.31Å; F9-V13 WeakPolarHBondContact O-CG2 3.48Å; F9-V13 PolarHBondContact O-N 2.86Å; V13-A16 PolarHBondContact O-N 3.43Å; V13-T17 WeakPolarHBondContact O-CB 3.37Å; V13-T17 WeakPolarHBondContact O-CG2 3.47Å; V13-T17 PolarHBondContact O-N 2.72Å; V13-T17 PolarHBondContact O-OG1 3.19Å; V13-I32 HydrophobicContact CG2-CD1 4.32Å; V13-I32 HydrophobicContact CG2-CG2 4.45Å; V13-I50 HydrophobicContact CG1-CG1 4.26Å; V13-I50 HydrophobicContact CG2-CG1 4.43Å; V13-R53 HydrophobicContact CG1-CG 3.9Å; V13-L68 HydrophobicContact CB-CD2 4.47Å; V13-L68 HydrophobicContact CG1-CD2 4.15Å; V13-L68 HydrophobicContact CG2-CD2 4.14Å
14E95Very high90.4Very high114 Ų11477 Ų7753%0.53342%0.422SS..Hα-helixtrans-65.7-39.3174.5-178169.6164.100112.8D10 D12 T17 S18D10-E14 WeakPolarHBondContact O-CB 3.03Å; D10-E14 PolarHBondContact O-N 3.24Å; D12-E14 VanDerWaalsContact C-N 3.31Å; D12-E14 PolarHBondContact O-N 3.05Å; E14-T17 CarbonylContact O-C 3.52Å; E14-S18 WeakPolarHBondContact O-CA 3.39Å; E14-S18 WeakPolarHBondContact O-CB 3.36Å; E14-S18 PolarHBondContact O-N 2.93Å
15K94.8Very high91.4Very high99 Ų9972.7 Ų72.743%0.4341%0.407SS..Hα-helixtrans-63.2-50.2172.6-70.3166.4-160.61590111.7Q11 D12 T17 S18 N21 L28Q11-K15 VanDerWaalsContact O-CG 3.32Å; Q11-K15 WeakPolarHBondContact O-CG 3.17Å; Q11-K15 PolarHBondContact O-N 3.26Å; D12-K15 WeakPolarHBondContact O-CB 3.12Å; D12-K15 PolarHBondContact O-N 2.85Å; D12-K15 IonicContact OD1-NZ 2.62Å; D12-K15 PolarHBondContact OD1-NZ 2.87Å; K15-T17 VanDerWaalsContact C-N 3.25Å; K15-T17 PolarHBondContact O-N 2.98Å; K15-S18 WeakPolarHBondContact O-CB 3.34Å; K15-S18 PolarHBondContact O-N 2.84Å; K15-N21 PolarHBondContact O-ND2 3.41Å; K15-L28 HydrophobicContact CB-CD2 3.57Å; K15-L28 HydrophobicContact CD-CD2 4.42Å
16A93.9Very high92.4Very high8 Ų871.1 Ų71.17%0.06638%0.379CS..Hα-helixtrans-62.5-35.2-178.400000112.1D12 V13 N21 L28 I32 Q64 L68D12-A16 PolarHBondContact O-N 2.79Å; V13-A16 PolarHBondContact O-N 3.43Å; A16-N21 PolarHBondContact O-ND2 2.67Å; A16-N21 VanDerWaalsContact O-ND2 3.11Å; A16-L28 HydrophobicContact CB-CD2 3.87Å; A16-L28 HydrophobicContact CB-CG 4.15Å; A16-I32 HydrophobicContact CB-CD1 3.93Å; A16-Q64 PolarHBondContact O-NE2 2.95Å; A16-L68 HydrophobicContact CB-CD2 4.33Å
17T95.6Very high92.9Very high0 Ų066.7 Ų66.70%036%0.36CS..THydrogen-bonded Turntrans-104.231.8179.2690000112.4V13 E14 K15 R53 V61 Q64 A65 L68V13-T17 WeakPolarHBondContact O-CB 3.37Å; V13-T17 WeakPolarHBondContact O-CG2 3.47Å; V13-T17 PolarHBondContact O-N 2.72Å; V13-T17 PolarHBondContact O-OG1 3.19Å; E14-T17 CarbonylContact O-C 3.52Å; K15-T17 VanDerWaalsContact C-N 3.25Å; K15-T17 PolarHBondContact O-N 2.98Å; T17-R53 HydrophobicContact CG2-CB 4.47Å; T17-R53 PolarHBondContact O-NH2 2.72Å; T17-R53 WeakPolarHBondContact OG1-CG 3.37Å; T17-R53 PolarHBondContact OG1-NE 3.18Å; T17-V61 WeakPolarHBondContact O-CG1 3.24Å; T17-V61 WeakPolarHBondContact O-CG2 3.36Å; T17-Q64 HydrophobicContact CG2-CB 4.07Å; T17-A65 HydrophobicContact CG2-CB 3.84Å; T17-L68 HydrophobicContact CG2-CD2 4.33Å
18S95.1Very high93.1Very high30 Ų3066.8 Ų66.821%0.2136%0.36CS..  trans-75.9137.6179.2175.10000111.4E14 K15 M20 N21 Q64E14-S18 WeakPolarHBondContact O-CA 3.39Å; E14-S18 WeakPolarHBondContact O-CB 3.36Å; E14-S18 PolarHBondContact O-N 2.93Å; K15-S18 WeakPolarHBondContact O-CB 3.34Å; K15-S18 PolarHBondContact O-N 2.84Å; S18-M20 PolarHBondContact O-N 3.45Å; S18-M20 VanDerWaalsContact O-N 3.12Å; S18-M20 PolarHBondContact OG-N 3.24Å; S18-N21 WeakPolarHBondContact CB-OD1 3.4Å; S18-N21 WeakPolarHBondContact O-CB 3.31Å; S18-N21 PolarHBondContact O-N 3.22Å; S18-Q64 PolarHBondContact O-NE2 2.98Å; S18-Q64 PolarHBondContact O-OE1 3.14Å
19E93.4Very high93.3Very high132 Ų13263.6 Ų63.662%0.61734%0.339SS*.THydrogen-bonded Turntrans-61.3-17.1176.265.8-172.5176.100113.2V61E19-V61 HydrophobicContact CB-CG2 3.83Å
20M92.2Very high93.3Very high159 Ų15966.6 Ų66.678%0.78336%0.355SS*.THydrogen-bonded Turntrans-85.8-8.4177.2-60.4-171.270.500114S18S18-M20 PolarHBondContact O-N 3.45Å; S18-M20 VanDerWaalsContact O-N 3.12Å; S18-M20 PolarHBondContact OG-N 3.24Å
21N91.9Very high93.4Very high42 Ų4269.4 Ų69.423%0.22537%0.37CS..  trans-78.9128.4-175.8-62.8-5.4000110.6K15 A16 S18 H60 Q64K15-N21 PolarHBondContact O-ND2 3.41Å; A16-N21 PolarHBondContact O-ND2 2.67Å; A16-N21 VanDerWaalsContact O-ND2 3.11Å; S18-N21 WeakPolarHBondContact CB-OD1 3.4Å; S18-N21 WeakPolarHBondContact O-CB 3.31Å; S18-N21 PolarHBondContact O-N 3.22Å; N21-H60 PolarHBondContact O-NE2 2.68Å; N21-Q64 PolarHBondContact ND2-NE2 2.86Å
22T88.8Confident93.5Very high147 Ų14763 Ų6390%0.90234%0.34SS*.SBendtrans-91.3-9.8-179.952.60000114.2
23A89.2Confident93.5Very high66 Ų6662.2 Ų62.255%0.54534%0.336SS..SBendtrans-157.5169.1178.100000109.9D25A23-D25 PolarHBondContact O-N 3.05Å
24E91.3Very high93.4Very high100 Ų10067.5 Ų67.547%0.46736%0.364SS..  trans-71.2120.5174.1-64.888.3165.100112.7W26 I29 T67E24-W26 PolarHBondContact O-N 2.83Å; E24-W26 VanDerWaalsContact O-N 3.08Å; E24-I29 HydrophobicContact CB-CD1 4.15Å; E24-T67 HydrophobicContact CG-CG2 4.22Å
25D91.9Very high93.3Very high83 Ų8365 Ų6544%0.44435%0.352SS..  trans-78.886.1168.1-173.7-14.7000109.9A23 G27 L28 I29A23-D25 PolarHBondContact O-N 3.05Å; D25-G27 PolarHBondContact O-N 2.96Å; D25-G27 PolarHBondContact OD1-N 3.35Å; D25-G27 VanDerWaalsContact OD1-N 3.16Å; D25-L28 HydrophobicContact CB-CB 4.13Å; D25-L28 PolarHBondContact O-N 2.88Å; D25-L28 PolarHBondContact OD1-N 2.81Å; D25-I29 VanDerWaalsContact O-CG1 3.27Å; D25-I29 WeakPolarHBondContact O-CG1 3.45Å; D25-I29 PolarHBondContact O-N 2.99Å
26W93.3Very high93.3Very high73 Ų7360.3 Ų60.328%0.27733%0.331SS..Hα-helixtrans-64.1-23.4179.3-75.5102.1000114E24 I29 L30 T67 A71 A155 P157E24-W26 PolarHBondContact O-N 2.83Å; E24-W26 VanDerWaalsContact O-N 3.08Å; W26-I29 HydrophobicContact CD2-CD1 4.25Å; W26-I29 HydrophobicContact CE3-CB 4.28Å; W26-I29 HydrophobicContact CE3-CD1 4.11Å; W26-I29 HydrophobicContact CE3-CG2 3.94Å; W26-I29 HydrophobicContact CZ3-CD1 4.35Å; W26-I29 HydrophobicContact CZ3-CG2 3.94Å; W26-L30 VanDerWaalsContact O-CG 3.28Å; W26-L30 WeakPolarHBondContact O-CG 3.43Å; W26-L30 PolarHBondContact O-N 3.02Å; W26-L30 VanDerWaalsContact O-N 3.16Å; W26-T67 HydrophobicContact CH2-CG2 3.7Å; W26-T67 HydrophobicContact CZ2-CG2 3.88Å; W26-A71 HydrophobicContact CZ3-CB 4.16Å; W26-A155 VanDerWaalsContact CH2-C 3.5Å; W26-A155 HydrophobicContact CH2-CB 4.07Å; W26-A155 WeakPolarHBondContact CH2-O 3.41Å; W26-A155 WeakPolarHBondContact CZ3-O 3.16Å; W26-P157 HydrophobicContact CB-CG 4.37Å; W26-P157 HydrophobicContact CD2-CG 3.62Å; W26-P157 HydrophobicContact CE3-CG 3.62Å; W26-P157 HydrophobicContact CG-CG 3.95Å; W26-P157 HydrophobicContact CZ3-CG 4.21Å
27G93Very high93.1Very high42 Ų4262.4 Ų62.443%0.43335%0.354SS..Hα-helixtrans-66.1-54.517300000110.2D25 I29 L30 D31D25-G27 PolarHBondContact O-N 2.96Å; D25-G27 PolarHBondContact OD1-N 3.35Å; D25-G27 VanDerWaalsContact OD1-N 3.16Å; G27-I29 VanDerWaalsContact C-N 3.31Å; G27-I29 PolarHBondContact O-N 2.88Å; G27-L30 PolarHBondContact O-N 3.5Å; G27-L30 VanDerWaalsContact O-N 3.16Å; G27-D31 PolarHBondContact O-N 3.22Å
28L94.3Very high92.8Very high25 Ų2569.9 Ų69.913%0.13139%0.389CS..Hα-helixtrans-64.2-32.8178.1-178.261.3000113.3D12 K15 A16 D25 I32D12-L28 HydrophobicContact CB-CD1 4.35Å; K15-L28 HydrophobicContact CB-CD2 3.57Å; K15-L28 HydrophobicContact CD-CD2 4.42Å; A16-L28 HydrophobicContact CB-CD2 3.87Å; A16-L28 HydrophobicContact CB-CG 4.15Å; D25-L28 HydrophobicContact CB-CB 4.13Å; D25-L28 PolarHBondContact O-N 2.88Å; D25-L28 PolarHBondContact OD1-N 2.81Å; L28-I32 HydrophobicContact CD1-CD1 4.44Å; L28-I32 HydrophobicContact CG-CD1 4.24Å; L28-I32 WeakPolarHBondContact O-CD1 3.47Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.38Å; L28-I32 PolarHBondContact O-N 2.99Å; L28-I32 VanDerWaalsContact O-N 3.11Å
29I95.1Very high92.6Very high8 Ų871 Ų714%0.04140%0.397CS..Hα-helixtrans-62.6-43.7173.9-72.3165.3000110.8E24 D25 W26 G27 I32 C33 L68 A71E24-I29 HydrophobicContact CB-CD1 4.15Å; D25-I29 VanDerWaalsContact O-CG1 3.27Å; D25-I29 WeakPolarHBondContact O-CG1 3.45Å; D25-I29 PolarHBondContact O-N 2.99Å; W26-I29 HydrophobicContact CD2-CD1 4.25Å; W26-I29 HydrophobicContact CE3-CB 4.28Å; W26-I29 HydrophobicContact CE3-CD1 4.11Å; W26-I29 HydrophobicContact CE3-CG2 3.94Å; W26-I29 HydrophobicContact CZ3-CD1 4.35Å; W26-I29 HydrophobicContact CZ3-CG2 3.94Å; G27-I29 VanDerWaalsContact C-N 3.31Å; G27-I29 PolarHBondContact O-N 2.88Å; I29-I32 PolarHBondContact O-N 2.98Å; I29-C33 PolarHBondContact O-N 3.02Å; I29-C33 PolarHBondContact O-SG 2.76Å; I29-C33 VanDerWaalsContact O-SG 3.41Å; I29-L68 HydrophobicContact CB-CD1 4.32Å; I29-L68 HydrophobicContact CG1-CD1 4.21Å; I29-L68 HydrophobicContact CG2-CD1 3.95Å; I29-A71 HydrophobicContact CG2-CB 3.44Å; I29-A71 VanDerWaalsContact CG2-CB 3.44Å
30L93.8Very high92.4Very high66 Ų6676.9 Ų76.935%0.34641%0.413SS..Hα-helixtrans-72.6-39.5178.4-67.5171.9000112.1W26 G27 I32 C33 D34W26-L30 VanDerWaalsContact O-CG 3.28Å; W26-L30 WeakPolarHBondContact O-CG 3.43Å; W26-L30 PolarHBondContact O-N 3.02Å; W26-L30 VanDerWaalsContact O-N 3.16Å; G27-L30 PolarHBondContact O-N 3.5Å; G27-L30 VanDerWaalsContact O-N 3.16Å; L30-I32 PolarHBondContact O-N 2.96Å; L30-C33 WeakPolarHBondContact O-CA 3.11Å; L30-C33 WeakPolarHBondContact O-CB 3.41Å; L30-C33 PolarHBondContact O-N 3.02Å; L30-D34 PolarHBondContact O-N 3.22Å
31D94.9Very high92.4Very high103 Ų10372.8 Ų72.855%0.55140%0.397SS*.Hα-helixtrans-53.9-38.3171.2-76.6-15.3000111.7G27 K35G27-D31 PolarHBondContact O-N 3.22Å; D31-K35 VanDerWaalsContact O-CB 3.23Å; D31-K35 WeakPolarHBondContact O-CB 3.47Å; D31-K35 PolarHBondContact O-N 3.19Å
32I95.3Very high92.4Very high1 Ų170.8 Ų70.81%0.00539%0.387CS..Hα-helixtrans-69.1-38.2176-69.9163.9000111.5F9 D12 V13 A16 L28 I29 L30 K35 V36 L68F9-I32 HydrophobicContact CD1-CG2 4.38Å; D12-I32 HydrophobicContact CB-CD1 4.14Å; D12-I32 HydrophobicContact CB-CG1 4Å; V13-I32 HydrophobicContact CG2-CD1 4.32Å; V13-I32 HydrophobicContact CG2-CG2 4.45Å; A16-I32 HydrophobicContact CB-CD1 3.93Å; L28-I32 HydrophobicContact CD1-CD1 4.44Å; L28-I32 HydrophobicContact CG-CD1 4.24Å; L28-I32 WeakPolarHBondContact O-CD1 3.47Å; L28-I32 VanDerWaalsContact O-CG1 3.23Å; L28-I32 WeakPolarHBondContact O-CG1 3.38Å; L28-I32 PolarHBondContact O-N 2.99Å; L28-I32 VanDerWaalsContact O-N 3.11Å; I29-I32 PolarHBondContact O-N 2.98Å; L30-I32 PolarHBondContact O-N 2.96Å; I32-K35 PolarHBondContact O-N 3.29Å; I32-V36 WeakPolarHBondContact O-CG2 3.42Å; I32-V36 PolarHBondContact O-N 2.67Å; I32-L68 HydrophobicContact CB-CD1 4.3Å; I32-L68 HydrophobicContact CD1-CD1 4.29Å; I32-L68 HydrophobicContact CD1-CD2 4.1Å; I32-L68 HydrophobicContact CG2-CD1 4.03Å
33C94.6Very high92.7Very high8 Ų864.2 Ų64.25%0.05435%0.346CS..Hα-helixtrans-64.3-46.5174.8-68.90000112I29 L30 K35 V36 G37 N75I29-C33 PolarHBondContact O-N 3.02Å; I29-C33 PolarHBondContact O-SG 2.76Å; I29-C33 VanDerWaalsContact O-SG 3.41Å; L30-C33 WeakPolarHBondContact O-CA 3.11Å; L30-C33 WeakPolarHBondContact O-CB 3.41Å; L30-C33 PolarHBondContact O-N 3.02Å; C33-K35 VanDerWaalsContact C-N 3.29Å; C33-K35 PolarHBondContact O-N 3.44Å; C33-V36 WeakPolarHBondContact O-CB 3.45Å; C33-V36 PolarHBondContact O-N 3.19Å; C33-V36 VanDerWaalsContact O-N 3.08Å; C33-G37 PolarHBondContact O-N 3.17Å; C33-N75 HydrophobicContact CB-CB 4.17Å
34D93.9Very high93Very high111 Ų11164.3 Ų64.359%0.59433%0.334SS*.Hα-helixtrans-60.8-40.4175.3-76.8-5.2000111.4L30 V36 G37 Q38L30-D34 PolarHBondContact O-N 3.22Å; D34-V36 VanDerWaalsContact C-N 3.28Å; D34-V36 PolarHBondContact O-N 3.42Å; D34-G37 PolarHBondContact O-N 3.48Å; D34-Q38 WeakPolarHBondContact O-CG 3.4Å; D34-Q38 PolarHBondContact O-N 2.95Å; D34-Q38 PolarHBondContact O-NE2 3.19Å; D34-Q38 VanDerWaalsContact O-NE2 3.12Å
35K93.7Very high93.1Very high62 Ų6261 Ų6127%0.2732%0.32SS..Hα-helixtrans-65.3-28176.2-165.5-176.1-163.1-173.70112.9P8 F9 D12 D31 I32 C33P8-K35 PolarHBondContact O-NZ 2.86Å; F9-K35 HydrophobicContact CD1-CD 4.15Å; F9-K35 HydrophobicContact CD1-CG 4.5Å; F9-K35 HydrophobicContact CE1-CB 3.93Å; F9-K35 HydrophobicContact CE1-CD 3.87Å; F9-K35 HydrophobicContact CE1-CG 3.74Å; F9-K35 HydrophobicContact CZ-CD 4.49Å; F9-K35 HydrophobicContact CZ-CG 4.1Å; F9-K35 WeakPolarHBondContact CZ-O 3.47Å; D12-K35 IonicContact OD2-NZ 2.65Å; D12-K35 PolarHBondContact OD2-NZ 2.96Å; D31-K35 VanDerWaalsContact O-CB 3.23Å; D31-K35 WeakPolarHBondContact O-CB 3.47Å; D31-K35 PolarHBondContact O-N 3.19Å; I32-K35 PolarHBondContact O-N 3.29Å; C33-K35 VanDerWaalsContact C-N 3.29Å; C33-K35 PolarHBondContact O-N 3.44Å
36V94.5Very high93.3Very high0 Ų057 Ų570%030%0.299CS..Hα-helixtrans-66.4-43.7173.8160.70000111.1F9 I32 C33 D34 Q38 P43 C46 C76 F80F9-V36 HydrophobicContact CD1-CG2 4.45Å; F9-V36 HydrophobicContact CE1-CG2 3.72Å; F9-V36 HydrophobicContact CZ-CG2 4.15Å; I32-V36 WeakPolarHBondContact O-CG2 3.42Å; I32-V36 PolarHBondContact O-N 2.67Å; C33-V36 WeakPolarHBondContact O-CB 3.45Å; C33-V36 PolarHBondContact O-N 3.19Å; C33-V36 VanDerWaalsContact O-N 3.08Å; D34-V36 VanDerWaalsContact C-N 3.28Å; D34-V36 PolarHBondContact O-N 3.42Å; V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 2.88Å; V36-P43 HydrophobicContact CG1-CB 4.15Å; V36-P43 HydrophobicContact CG1-CG 3.77Å; V36-C46 HydrophobicContact CG2-CB 3.41Å; V36-C46 VanDerWaalsContact CG2-CB 3.41Å; V36-C46 VanDerWaalsContact CG2-SG 3.59Å; V36-C76 HydrophobicContact CG1-CB 3.86Å; V36-F80 HydrophobicContact CG1-CD2 4.04Å
37G88.8Confident93.4Very high52 Ų5254 Ų5454%0.53629%0.288SS..Hα-helixtrans-66-28.7179.200000114.1C33 D34 S39C33-G37 PolarHBondContact O-N 3.17Å; D34-G37 PolarHBondContact O-N 3.48Å; G37-S39 VanDerWaalsContact C-N 3.29Å; G37-S39 PolarHBondContact O-N 3.05Å
38Q90.6Very high93.5Very high157 Ų15757.7 Ų57.773%0.73429%0.289SS*.THydrogen-bonded Turntrans-72.9-9.8-175.5-70.9167.346.400115.4D34 V36D34-Q38 WeakPolarHBondContact O-CG 3.4Å; D34-Q38 PolarHBondContact O-N 2.95Å; D34-Q38 PolarHBondContact O-NE2 3.19Å; D34-Q38 VanDerWaalsContact O-NE2 3.12Å; V36-Q38 VanDerWaalsContact C-N 3.3Å; V36-Q38 PolarHBondContact O-N 2.88Å
39S90Very high93.6Very high54 Ų5456.7 Ų56.738%0.37828%0.284SS..  trans-135.1136.9-176.7175.60000113.1G37 T41 G42G37-S39 VanDerWaalsContact C-N 3.29Å; G37-S39 PolarHBondContact O-N 3.05Å; S39-T41 PolarHBondContact O-N 2.81Å; S39-T41 PolarHBondContact OG-N 2.87Å; S39-G42 WeakPolarHBondContact O-CA 3.35Å; S39-G42 PolarHBondContact O-N 3.02Å; S39-G42 PolarHBondContact OG-N 2.87Å
40R88.9Confident93.7Very high255 Ų25556.3 Ų56.396%0.96228%0.282SS*.THydrogen-bonded Turntrans-62.3-22.1175.3-170.6173.1-178.3178.53.2113.9
41T91.8Very high93.8Very high74 Ų7453.7 Ų53.745%0.45427%0.268SS..THydrogen-bonded Turntrans-100.9-4.6170.469.60000113S39 K44 D45S39-T41 PolarHBondContact O-N 2.81Å; S39-T41 PolarHBondContact OG-N 2.87Å; T41-K44 PolarHBondContact O-N 3.16Å; T41-K44 VanDerWaalsContact O-N 3.13Å; T41-D45 WeakPolarHBondContact CB-OD2 3.44Å; T41-D45 WeakPolarHBondContact O-CB 3.49Å; T41-D45 PolarHBondContact O-N 2.89Å; T41-D45 PolarHBondContact OG1-OD2 2.98Å
42G93.1Very high93.7Very high0 Ų055 Ų550%027%0.266CS..Hα-helixtrans-47.9-54.9-175.900000114.1S39 K44 D45 C46S39-G42 WeakPolarHBondContact O-CA 3.35Å; S39-G42 PolarHBondContact O-N 3.02Å; S39-G42 PolarHBondContact OG-N 2.87Å; G42-K44 VanDerWaalsContact C-N 3.35Å; G42-K44 PolarHBondContact O-N 2.96Å; G42-D45 PolarHBondContact O-N 3.36Å; G42-C46 WeakPolarHBondContact O-CB 3.35Å; G42-C46 PolarHBondContact O-N 3.28Å
43P95.1Very high93.7Very high8 Ų857.2 Ų57.25%0.05227%0.274CS..Hα-helixtrans-57.6-44.6179.4-25.733.4000113.4V36 L47 I79 F80 E83V36-P43 HydrophobicContact CG1-CB 4.15Å; V36-P43 HydrophobicContact CG1-CG 3.77Å; P43-L47 VanDerWaalsContact O-CB 3.27Å; P43-L47 WeakPolarHBondContact O-CB 3.21Å; P43-L47 PolarHBondContact O-N 2.71Å; P43-I79 WeakPolarHBondContact CB-O 3.38Å; P43-I79 HydrophobicContact CG-CB 4.23Å; P43-I79 HydrophobicContact CG-CD1 4.06Å; P43-I79 HydrophobicContact CG-CG1 4.16Å; P43-F80 HydrophobicContact CB-CB 4.42Å; P43-F80 HydrophobicContact CB-CD2 3.89Å; P43-E83 HydrophobicContact CB-CG 4.12Å
44K94.1Very high93.8Very high68 Ų6857 Ų5730%0.29627%0.272SS..Hα-helixtrans-71.1-40.2-177.2-167.4172-149.673.20112.7T41 G42 R48 E83T41-K44 PolarHBondContact O-N 3.16Å; T41-K44 VanDerWaalsContact O-N 3.13Å; G42-K44 VanDerWaalsContact C-N 3.35Å; G42-K44 PolarHBondContact O-N 2.96Å; K44-R48 WeakPolarHBondContact O-CB 3.37Å; K44-R48 WeakPolarHBondContact O-CG 3.38Å; K44-R48 PolarHBondContact O-N 3.31Å; K44-R48 VanDerWaalsContact O-N 3.13Å; K44-R48 PolarHBondContact O-NH1 3.44Å; K44-R48 VanDerWaalsContact O-NH1 3.15Å; K44-E83 HydrophobicContact CB-CG 4.15Å; K44-E83 WeakPolarHBondContact CD-OE1 3.5Å; K44-E83 WeakPolarHBondContact CG-OE2 3.42Å; K44-E83 IonicContact NZ-OE1 2.64Å; K44-E83 PolarHBondContact NZ-OE1 3.4Å; K44-E83 IonicContact NZ-OE2 2.76Å; K44-E83 PolarHBondContact NZ-OE2 3.47Å
45D94.6Very high93.8Very high30 Ų3054.6 Ų54.616%0.1626%0.26CS..Hα-helixtrans-73.5-41.6179.2-65.4-27.9000110.6N7 F9 T41 G42 R48 S49N7-D45 PolarHBondContact ND2-O 2.78Å; F9-D45 HydrophobicContact CD2-CB 3.95Å; F9-D45 HydrophobicContact CE2-CB 4.17Å; T41-D45 WeakPolarHBondContact CB-OD2 3.44Å; T41-D45 WeakPolarHBondContact O-CB 3.49Å; T41-D45 PolarHBondContact O-N 2.89Å; T41-D45 PolarHBondContact OG1-OD2 2.98Å; G42-D45 PolarHBondContact O-N 3.36Å; D45-R48 PolarHBondContact O-N 3.44Å; D45-R48 IonicContact OD1-CZ 2.7Å; D45-R48 IonicContact OD1-NH1 2.64Å; D45-R48 PolarHBondContact OD1-NH1 3.27Å; D45-R48 IonicContact OD1-NH2 3.58Å; D45-S49 PolarHBondContact O-N 3.04Å
46C96.3Very high93.9Very high0 Ų055.1 Ų55.10%026%0.263CS..Hα-helixtrans-61.8-49.8172.8-170.20000112.2F9 V36 G42 R48 S49 I50F9-C46 HydrophobicContact CB-CB 4.39Å; F9-C46 HydrophobicContact CD1-CB 3.67Å; F9-C46 HydrophobicContact CD2-CB 4.07Å; F9-C46 HydrophobicContact CE1-CB 3.92Å; F9-C46 HydrophobicContact CE2-CB 4.32Å; F9-C46 HydrophobicContact CG-CB 3.76Å; F9-C46 HydrophobicContact CZ-CB 4.25Å; V36-C46 HydrophobicContact CG2-CB 3.41Å; V36-C46 VanDerWaalsContact CG2-CB 3.41Å; V36-C46 VanDerWaalsContact CG2-SG 3.59Å; G42-C46 WeakPolarHBondContact O-CB 3.35Å; G42-C46 PolarHBondContact O-N 3.28Å; C46-R48 VanDerWaalsContact C-N 3.33Å; C46-R48 PolarHBondContact O-N 2.93Å; C46-S49 CarbonylContact O-C 3.59Å; C46-S49 WeakPolarHBondContact O-CA 3.3Å; C46-S49 VanDerWaalsContact O-CB 3.24Å; C46-S49 WeakPolarHBondContact O-CB 3.35Å; C46-S49 PolarHBondContact O-N 2.86Å; C46-I50 WeakPolarHBondContact O-CG1 3.46Å; C46-I50 PolarHBondContact O-N 3.4Å; C46-I50 VanDerWaalsContact SG-CD1 3.6Å
47L96.1Very high93.7Very high10 Ų1064.7 Ų64.75%0.05230%0.304CS..Hα-helixtrans-58.9-41.8178.1-177.662.6000112.3P43 S49 I50 M51 L69 F80 E83 V84 F89P43-L47 VanDerWaalsContact O-CB 3.27Å; P43-L47 WeakPolarHBondContact O-CB 3.21Å; P43-L47 PolarHBondContact O-N 2.71Å; L47-S49 PolarHBondContact O-N 3.33Å; L47-I50 PolarHBondContact O-N 2.59Å; L47-M51 HydrophobicContact CD1-CG 4.02Å; L47-M51 HydrophobicContact CG-CG 4.43Å; L47-M51 WeakPolarHBondContact O-CG 3.27Å; L47-M51 PolarHBondContact O-N 2.91Å; L47-L69 HydrophobicContact CD1-CD1 3.51Å; L47-F80 HydrophobicContact CB-CE2 4.22Å; L47-F80 HydrophobicContact CB-CZ 4.19Å; L47-F80 HydrophobicContact CD1-CZ 4.08Å; L47-E83 VanDerWaalsContact CD2-C 3.49Å; L47-E83 HydrophobicContact CD2-CB 3.84Å; L47-E83 VanDerWaalsContact CD2-O 3.27Å; L47-E83 WeakPolarHBondContact CD2-O 3.35Å; L47-V84 HydrophobicContact CD1-CG2 4.29Å; L47-V84 HydrophobicContact CD2-CG2 4.26Å; L47-F89 HydrophobicContact CD1-CD2 4.11Å; L47-F89 HydrophobicContact CD1-CE2 4.29Å; L47-F89 HydrophobicContact CD2-CD2 4.36Å
48R94.8Very high93.9Very high119 Ų11964.4 Ų64.445%0.44929%0.291SS..Hα-helixtrans-66.5-22.1173.2-75-158.4-117.577.3-19113.5K44 D45 C46 R52K44-R48 WeakPolarHBondContact O-CB 3.37Å; K44-R48 WeakPolarHBondContact O-CG 3.38Å; K44-R48 PolarHBondContact O-N 3.31Å; K44-R48 VanDerWaalsContact O-N 3.13Å; K44-R48 PolarHBondContact O-NH1 3.44Å; K44-R48 VanDerWaalsContact O-NH1 3.15Å; D45-R48 PolarHBondContact O-N 3.44Å; D45-R48 IonicContact OD1-CZ 2.7Å; D45-R48 IonicContact OD1-NH1 2.64Å; D45-R48 PolarHBondContact OD1-NH1 3.27Å; D45-R48 IonicContact OD1-NH2 3.58Å; C46-R48 VanDerWaalsContact C-N 3.33Å; C46-R48 PolarHBondContact O-N 2.93Å; R48-R52 PolarHBondContact O-NE 3.48Å; R48-R52 PolarHBondContact O-NH2 3.05Å
49S95.8Very high94.1Very high5 Ų559 Ų594%0.03527%0.269CS..Hα-helixtrans-77.5-51.8172-1610000110.8D10 D45 C46 L47 M51 R52 R53D10-S49 WeakPolarHBondContact CA-OG 3.49Å; D10-S49 VanDerWaalsContact OD1-CB 3.24Å; D10-S49 WeakPolarHBondContact OD1-CB 3.4Å; D10-S49 PolarHBondContact OD1-OG 2.74Å; D45-S49 PolarHBondContact O-N 3.04Å; C46-S49 CarbonylContact O-C 3.59Å; C46-S49 WeakPolarHBondContact O-CA 3.3Å; C46-S49 VanDerWaalsContact O-CB 3.24Å; C46-S49 WeakPolarHBondContact O-CB 3.35Å; C46-S49 PolarHBondContact O-N 2.86Å; L47-S49 PolarHBondContact O-N 3.33Å; S49-M51 PolarHBondContact O-N 2.98Å; S49-R52 WeakPolarHBondContact O-CB 3.4Å; S49-R52 PolarHBondContact O-N 3.31Å; S49-R52 VanDerWaalsContact O-N 3.12Å; S49-R53 PolarHBondContact O-N 3.19Å
50I96.7Very high94.2Very high0 Ų060.3 Ų60.30%027%0.269CS..Hα-helixtrans-55.5-51178.7-67.4167.5000111.1V13 C46 L47 R52 R53 V54 A65 L68 L69 F80V13-I50 HydrophobicContact CG1-CG1 4.26Å; V13-I50 HydrophobicContact CG2-CG1 4.43Å; C46-I50 WeakPolarHBondContact O-CG1 3.46Å; C46-I50 PolarHBondContact O-N 3.4Å; C46-I50 VanDerWaalsContact SG-CD1 3.6Å; L47-I50 PolarHBondContact O-N 2.59Å; I50-R52 PolarHBondContact O-N 2.85Å; I50-R53 CarbonylContact O-C 3.56Å; I50-R53 WeakPolarHBondContact O-CA 3.35Å; I50-R53 WeakPolarHBondContact O-CB 3.42Å; I50-R53 PolarHBondContact O-N 3.12Å; I50-V54 HydrophobicContact CG2-CG2 4.12Å; I50-V54 WeakPolarHBondContact O-CG2 3.32Å; I50-V54 PolarHBondContact O-N 2.94Å; I50-A65 WeakPolarHBondContact CG2-O 3.33Å; I50-L68 HydrophobicContact CD1-CD2 4.33Å; I50-L68 HydrophobicContact CD1-CG 4Å; I50-L68 HydrophobicContact CG1-CD2 4.03Å; I50-L68 HydrophobicContact CG1-CG 4.19Å; I50-L69 HydrophobicContact CG2-CB 3.83Å; I50-L69 HydrophobicContact CG2-CD1 4.06Å; I50-L69 HydrophobicContact CG2-CG 4.4Å; I50-F80 HydrophobicContact CD1-CZ 4.4Å
51M95.4Very high94.5Very high10 Ų1048.2 Ų48.25%0.04922%0.223CC..Hα-helixtrans-65.6-23.9-178.1-65.1-52.8-70.400113.7L47 S49 R53 V54 N55 L69 F89 E92 V96L47-M51 HydrophobicContact CD1-CG 4.02Å; L47-M51 HydrophobicContact CG-CG 4.43Å; L47-M51 WeakPolarHBondContact O-CG 3.27Å; L47-M51 PolarHBondContact O-N 2.91Å; S49-M51 PolarHBondContact O-N 2.98Å; M51-R53 VanDerWaalsContact C-N 3.31Å; M51-V54 HydrophobicContact CE-CB 4.45Å; M51-V54 HydrophobicContact CE-CG1 4.39Å; M51-V54 HydrophobicContact SD-CB 4.31Å; M51-V54 HydrophobicContact SD-CG2 4.05Å; M51-N55 PolarHBondContact O-N 2.93Å; M51-N55 VanDerWaalsContact O-N 3.15Å; M51-N55 PolarHBondContact O-ND2 3.03Å; M51-L69 HydrophobicContact SD-CD2 4.08Å; M51-F89 HydrophobicContact CE-CD2 4.35Å; M51-F89 HydrophobicContact CE-CE2 4.04Å; M51-F89 HydrophobicContact CG-CD2 4.38Å; M51-F89 HydrophobicContact CG-CE2 4.49Å; M51-F89 HydrophobicContact SD-CD2 4.19Å; M51-F89 HydrophobicContact SD-CE2 3.76Å; M51-E92 HydrophobicContact CE-CB 3.71Å; M51-V96 HydrophobicContact CE-CG2 4.37Å
52R94.8Very high94.7Very high132 Ų13244.8 Ų44.850%0.49820%0.202SC..Hα-helixtrans-70-26.8169.8-80.7-179.7-74.8148.25.6112.6N7 D10 R48 S49 I50N7-R52 PolarHBondContact ND2-NH2 2.9Å; N7-R52 VanDerWaalsContact ND2-NH2 3.18Å; D10-R52 VanDerWaalsContact CG-NH2 3.33Å; D10-R52 IonicContact OD1-CZ 2.68Å; D10-R52 IonicContact OD1-NH1 3.52Å; D10-R52 IonicContact OD1-NH2 3.65Å; D10-R52 PolarHBondContact OD1-NH2 3.27Å; D10-R52 IonicContact OD2-CZ 3.15Å; D10-R52 IonicContact OD2-NH1 3.51Å; D10-R52 PolarHBondContact OD2-NH1 2.86Å; D10-R52 IonicContact OD2-NH2 2.73Å; D10-R52 PolarHBondContact OD2-NH2 3.34Å; D10-R52 VanDerWaalsContact OD2-NH2 3.15Å; R48-R52 PolarHBondContact O-NE 3.48Å; R48-R52 PolarHBondContact O-NH2 3.05Å; S49-R52 WeakPolarHBondContact O-CB 3.4Å; S49-R52 PolarHBondContact O-N 3.31Å; S49-R52 VanDerWaalsContact O-N 3.12Å; I50-R52 PolarHBondContact O-N 2.85Å
53R95.3Very high94.7Very high46 Ų4647.4 Ų47.417%0.17422%0.216CC..Hα-helixtrans-86.5-32.6173.1-56.1-63.7-71.6-171.10.5112.7V13 T17 S49 I50 M51 N55 H56 V61 A65V13-R53 HydrophobicContact CG1-CG 3.9Å; T17-R53 HydrophobicContact CG2-CB 4.47Å; T17-R53 PolarHBondContact O-NH2 2.72Å; T17-R53 WeakPolarHBondContact OG1-CG 3.37Å; T17-R53 PolarHBondContact OG1-NE 3.18Å; S49-R53 PolarHBondContact O-N 3.19Å; I50-R53 CarbonylContact O-C 3.56Å; I50-R53 WeakPolarHBondContact O-CA 3.35Å; I50-R53 WeakPolarHBondContact O-CB 3.42Å; I50-R53 PolarHBondContact O-N 3.12Å; M51-R53 VanDerWaalsContact C-N 3.31Å; R53-N55 VanDerWaalsContact C-N 3.26Å; R53-N55 PolarHBondContact O-N 2.87Å; R53-H56 WeakPolarHBondContact O-CB 3.33Å; R53-H56 PolarHBondContact O-N 2.97Å; R53-V61 HydrophobicContact CB-CG1 4.28Å; R53-A65 HydrophobicContact CB-CB 3.64Å
54V96.1Very high94.7Very high5 Ų547.8 Ų47.83%0.0322%0.217CC..Hα-helixtrans-62-35.1171179.30000111.4I50 M51 H56 A62 A65 L66 V96 V104I50-V54 HydrophobicContact CG2-CG2 4.12Å; I50-V54 WeakPolarHBondContact O-CG2 3.32Å; I50-V54 PolarHBondContact O-N 2.94Å; M51-V54 HydrophobicContact CE-CB 4.45Å; M51-V54 HydrophobicContact CE-CG1 4.39Å; M51-V54 HydrophobicContact SD-CB 4.31Å; M51-V54 HydrophobicContact SD-CG2 4.05Å; V54-H56 PolarHBondContact O-N 2.84Å; V54-A62 WeakPolarHBondContact O-CB 3.42Å; V54-A65 HydrophobicContact CB-CB 4.48Å; V54-A65 HydrophobicContact CG2-CB 3.62Å; V54-L66 HydrophobicContact CG1-CD2 3.83Å; V54-L66 HydrophobicContact CG1-CG 4.16Å; V54-L66 HydrophobicContact CG2-CD2 3.85Å; V54-L66 HydrophobicContact CG2-CG 4.16Å; V54-V96 HydrophobicContact CG1-CG1 4.02Å; V54-V96 HydrophobicContact CG1-CG2 3.89Å; V54-V104 HydrophobicContact CG1-CG1 4.31Å
55N94Very high94.8Very high60 Ų6044.6 Ų44.632%0.32120%0.203SC..THydrogen-bonded Turntrans-81.713.2172.6-76.2-82.6000114.1M51 R53 E92 N95M51-N55 PolarHBondContact O-N 2.93Å; M51-N55 VanDerWaalsContact O-N 3.15Å; M51-N55 PolarHBondContact O-ND2 3.03Å; R53-N55 VanDerWaalsContact C-N 3.26Å; R53-N55 PolarHBondContact O-N 2.87Å; N55-E92 PolarHBondContact ND2-OE2 3.41Å; N55-N95 PolarHBondContact OD1-ND2 3.31Å
56H94.8Very high94.9Very high72 Ų7243.1 Ų43.133%0.33320%0.195SC..  trans-70.1157.8-179.9-164.9-117.7000112.5R53 V54 D58 V61R53-H56 WeakPolarHBondContact O-CB 3.33Å; R53-H56 PolarHBondContact O-N 2.97Å; V54-H56 PolarHBondContact O-N 2.84Å; H56-D58 PolarHBondContact ND1-N 2.94Å; H56-V61 HydrophobicContact CB-CB 4.23Å; H56-V61 HydrophobicContact CB-CG1 3.64Å
57K91.1Very high94.8Very high202 Ų20243.5 Ų43.588%0.87820%0.197SC*.SBendtrans-73.3-31.1-177.9-65.7-179.4-178.7176.50113.2
58D93.8Very high94.8Very high46 Ų4643.1 Ų43.125%0.24620%0.195CC..SBendtrans-84.2122174.5170.729.5000110H56 H60 V61 A62H56-D58 PolarHBondContact ND1-N 2.94Å; D58-H60 PolarHBondContact O-N 3.39Å; D58-H60 PolarHBondContact OD1-N 3.16Å; D58-H60 WeakPolarHBondContact OD2-CB 3.39Å; D58-V61 HydrophobicContact CB-CB 4.41Å; D58-V61 HydrophobicContact CB-CG2 4.28Å; D58-V61 WeakPolarHBondContact OD2-CG2 3.47Å; D58-V61 PolarHBondContact OD2-N 3.46Å; D58-A62 PolarHBondContact O-N 3.49Å
59P93Very high94.9Very high43 Ų4337.4 Ų37.428%0.27917%0.174SC..Hα-helixtrans-60.2-26.7174.7-23.634.9000114.5A62 M63 H101 V104P59-A62 PolarHBondContact O-N 2.9Å; P59-M63 WeakPolarHBondContact O-CB 3.32Å; P59-M63 VanDerWaalsContact O-CG 3.25Å; P59-M63 WeakPolarHBondContact O-CG 3.2Å; P59-M63 PolarHBondContact O-N 3.39Å; P59-H101 HydrophobicContact CB-CB 3.93Å; P59-H101 HydrophobicContact CG-CB 3.76Å; P59-V104 HydrophobicContact CB-CG2 4.36Å
60H92.4Very high94.8Very high81 Ų8137.2 Ų37.238%0.37517%0.172SC..Hα-helixtrans-68.4-54-179.6-176.557.4000111N21 D58 A62 M63 Q64N21-H60 PolarHBondContact O-NE2 2.68Å; D58-H60 PolarHBondContact O-N 3.39Å; D58-H60 PolarHBondContact OD1-N 3.16Å; D58-H60 WeakPolarHBondContact OD2-CB 3.39Å; H60-A62 PolarHBondContact O-N 3.04Å; H60-M63 PolarHBondContact O-N 3.45Å; H60-Q64 PolarHBondContact CD2-OE1 3.26Å; H60-Q64 VanDerWaalsContact CD2-OE1 3.26Å; H60-Q64 PolarHBondContact NE2-OE1 3.42Å; H60-Q64 WeakPolarHBondContact O-CG 3.32Å; H60-Q64 PolarHBondContact O-N 3.49Å; H60-Q64 PolarHBondContact O-OE1 3.03Å
61V95.7Very high94.7Very high1 Ų137.2 Ų37.21%0.00617%0.172CC..Hα-helixtrans-48.8-44.1169.2169.50000112.2T17 E19 R53 H56 D58 Q64 A65T17-V61 WeakPolarHBondContact O-CG1 3.24Å; T17-V61 WeakPolarHBondContact O-CG2 3.36Å; E19-V61 HydrophobicContact CB-CG2 3.83Å; R53-V61 HydrophobicContact CB-CG1 4.28Å; H56-V61 HydrophobicContact CB-CB 4.23Å; H56-V61 HydrophobicContact CB-CG1 3.64Å; D58-V61 HydrophobicContact CB-CB 4.41Å; D58-V61 HydrophobicContact CB-CG2 4.28Å; D58-V61 WeakPolarHBondContact OD2-CG2 3.47Å; D58-V61 PolarHBondContact OD2-N 3.46Å; V61-Q64 PolarHBondContact O-N 3.23Å; V61-A65 WeakPolarHBondContact O-CB 3.38Å; V61-A65 PolarHBondContact O-N 3.05Å
62A95.4Very high94.6Very high2 Ų236.8 Ų36.82%0.01717%0.17CC..Hα-helixtrans-70-35-178.900000113.3V54 D58 P59 H60 A65 L66 V104V54-A62 WeakPolarHBondContact O-CB 3.42Å; D58-A62 PolarHBondContact O-N 3.49Å; P59-A62 PolarHBondContact O-N 2.9Å; H60-A62 PolarHBondContact O-N 3.04Å; A62-A65 PolarHBondContact O-N 3.47Å; A62-L66 PolarHBondContact O-N 3.47Å; A62-L66 VanDerWaalsContact O-N 3.12Å; A62-V104 HydrophobicContact CB-CG1 3.99Å; A62-V104 HydrophobicContact CB-CG2 3.78Å
63M94.1Very high94.6Very high56 Ų5630.5 Ų30.528%0.27615%0.146SC..Hα-helixtrans-66.9-45.1173-74.9-64.2-6000111.5P59 H60 A65 L66 T67 K103 V104 K107P59-M63 WeakPolarHBondContact O-CB 3.32Å; P59-M63 VanDerWaalsContact O-CG 3.25Å; P59-M63 WeakPolarHBondContact O-CG 3.2Å; P59-M63 PolarHBondContact O-N 3.39Å; H60-M63 PolarHBondContact O-N 3.45Å; M63-A65 VanDerWaalsContact C-N 3.27Å; M63-A65 PolarHBondContact O-N 2.91Å; M63-L66 PolarHBondContact O-N 3.4Å; M63-L66 VanDerWaalsContact O-N 3.11Å; M63-T67 PolarHBondContact O-N 3.43Å; M63-K103 HydrophobicContact SD-CB 4.23Å; M63-V104 HydrophobicContact CG-CG2 4.08Å; M63-V104 HydrophobicContact SD-CG2 4.04Å; M63-K107 HydrophobicContact CE-CB 3.89Å; M63-K107 HydrophobicContact CE-CD 4.21Å; M63-K107 HydrophobicContact CE-CG 4.04Å; M63-K107 HydrophobicContact SD-CB 4.08Å
64Q95.1Very high94.5Very high16 Ų1630.6 Ų30.68%0.07515%0.154CC..Hα-helixtrans-57.8-41.9174.3-65.9164.6-9600111.1A16 T17 S18 N21 H60 V61 L66 T67 L68A16-Q64 PolarHBondContact O-NE2 2.95Å; T17-Q64 HydrophobicContact CG2-CB 4.07Å; S18-Q64 PolarHBondContact O-NE2 2.98Å; S18-Q64 PolarHBondContact O-OE1 3.14Å; N21-Q64 PolarHBondContact ND2-NE2 2.86Å; H60-Q64 PolarHBondContact CD2-OE1 3.26Å; H60-Q64 VanDerWaalsContact CD2-OE1 3.26Å; H60-Q64 PolarHBondContact NE2-OE1 3.42Å; H60-Q64 WeakPolarHBondContact O-CG 3.32Å; H60-Q64 PolarHBondContact O-N 3.49Å; H60-Q64 PolarHBondContact O-OE1 3.03Å; V61-Q64 PolarHBondContact O-N 3.23Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 2.92Å; Q64-T67 PolarHBondContact O-N 3.45Å; Q64-L68 PolarHBondContact O-N 3.39Å
65A96.6Very high94.3Very high0 Ų034.1 Ų34.10%017%0.173CC..Hα-helixtrans-64.2-33.2177.200000113T17 I50 R53 V54 V61 A62 M63 L69T17-A65 HydrophobicContact CG2-CB 3.84Å; I50-A65 WeakPolarHBondContact CG2-O 3.33Å; R53-A65 HydrophobicContact CB-CB 3.64Å; V54-A65 HydrophobicContact CB-CB 4.48Å; V54-A65 HydrophobicContact CG2-CB 3.62Å; V61-A65 WeakPolarHBondContact O-CB 3.38Å; V61-A65 PolarHBondContact O-N 3.05Å; A62-A65 PolarHBondContact O-N 3.47Å; M63-A65 VanDerWaalsContact C-N 3.27Å; M63-A65 PolarHBondContact O-N 2.91Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 PolarHBondContact O-N 3.24Å
66L95.8Very high94.2Very high0 Ų032.1 Ų32.10%016%0.163CC..Hα-helixtrans-73.8-35.9173.2-72.3178000113.1V54 A62 M63 Q64 L69 G70 V104 K107 L108 L111V54-L66 HydrophobicContact CG1-CD2 3.83Å; V54-L66 HydrophobicContact CG1-CG 4.16Å; V54-L66 HydrophobicContact CG2-CD2 3.85Å; V54-L66 HydrophobicContact CG2-CG 4.16Å; A62-L66 PolarHBondContact O-N 3.47Å; A62-L66 VanDerWaalsContact O-N 3.12Å; M63-L66 PolarHBondContact O-N 3.4Å; M63-L66 VanDerWaalsContact O-N 3.11Å; Q64-L66 VanDerWaalsContact C-N 3.31Å; Q64-L66 PolarHBondContact O-N 2.92Å; L66-L69 HydrophobicContact CD2-CD2 4.08Å; L66-L69 WeakPolarHBondContact O-CB 3.18Å; L66-L69 PolarHBondContact O-N 2.86Å; L66-G70 PolarHBondContact O-N 3.18Å; L66-V104 HydrophobicContact CD1-CB 4.35Å; L66-V104 HydrophobicContact CD1-CG1 3.59Å; L66-V104 WeakPolarHBondContact CD1-O 3.26Å; L66-V104 HydrophobicContact CG-CG1 4.42Å; L66-K107 HydrophobicContact CB-CG 3.92Å; L66-K107 HydrophobicContact CD1-CB 3.91Å; L66-K107 HydrophobicContact CD1-CG 3.94Å; L66-L108 HydrophobicContact CD1-CB 4.03Å; L66-L108 HydrophobicContact CD2-CB 4.14Å; L66-L108 HydrophobicContact CD2-CD1 3.92Å; L66-L111 HydrophobicContact CB-CD1 4.22Å; L66-L111 HydrophobicContact CD2-CD1 4.44Å; L66-L111 WeakPolarHBondContact O-CD1 3.44Å
67T94.8Very high94Very high8 Ų829.9 Ų29.95%0.04916%0.16CC..Hα-helixtrans-64.3-43.4172.3-61.60000110.8E24 W26 M63 Q64 L69 G70 A71 A155E24-T67 HydrophobicContact CG-CG2 4.22Å; W26-T67 HydrophobicContact CH2-CG2 3.7Å; W26-T67 HydrophobicContact CZ2-CG2 3.88Å; M63-T67 PolarHBondContact O-N 3.43Å; Q64-T67 PolarHBondContact O-N 3.45Å; T67-L69 VanDerWaalsContact C-N 3.35Å; T67-L69 PolarHBondContact O-N 2.86Å; T67-G70 PolarHBondContact O-N 3.37Å; T67-A71 PolarHBondContact O-N 3.09Å; T67-A155 HydrophobicContact CG2-CB 4.15Å; T67-A155 VanDerWaalsContact O-CB 3.29Å; T67-A155 WeakPolarHBondContact O-CB 3.25Å
68L95.9Very high94Very high1 Ų124.6 Ų24.61%0.00514%0.137CC..Hα-helixtrans-61.7-39.6172.1176.958.4000112.3V13 A16 T17 I29 I32 I50 Q64 G70 A71 C72V13-L68 HydrophobicContact CB-CD2 4.47Å; V13-L68 HydrophobicContact CG1-CD2 4.15Å; V13-L68 HydrophobicContact CG2-CD2 4.14Å; A16-L68 HydrophobicContact CB-CD2 4.33Å; T17-L68 HydrophobicContact CG2-CD2 4.33Å; I29-L68 HydrophobicContact CB-CD1 4.32Å; I29-L68 HydrophobicContact CG1-CD1 4.21Å; I29-L68 HydrophobicContact CG2-CD1 3.95Å; I32-L68 HydrophobicContact CB-CD1 4.3Å; I32-L68 HydrophobicContact CD1-CD1 4.29Å; I32-L68 HydrophobicContact CD1-CD2 4.1Å; I32-L68 HydrophobicContact CG2-CD1 4.03Å; I50-L68 HydrophobicContact CD1-CD2 4.33Å; I50-L68 HydrophobicContact CD1-CG 4Å; I50-L68 HydrophobicContact CG1-CD2 4.03Å; I50-L68 HydrophobicContact CG1-CG 4.19Å; Q64-L68 PolarHBondContact O-N 3.39Å; L68-G70 PolarHBondContact O-N 3.15Å; L68-A71 PolarHBondContact O-N 2.96Å; L68-C72 PolarHBondContact O-N 3.38Å; L68-C72 PolarHBondContact O-SG 3.14Å; L68-C72 VanDerWaalsContact O-SG 3.38Å
69L96.3Very high94Very high0 Ų026.8 Ų26.80%015%0.148CC..Hα-helixtrans-59.9-45.7175.3-175.159.8000112.1L47 I50 M51 A65 L66 T67 C72 V73 F80 F89 W115L47-L69 HydrophobicContact CD1-CD1 3.51Å; I50-L69 HydrophobicContact CG2-CB 3.83Å; I50-L69 HydrophobicContact CG2-CD1 4.06Å; I50-L69 HydrophobicContact CG2-CG 4.4Å; M51-L69 HydrophobicContact SD-CD2 4.08Å; A65-L69 WeakPolarHBondContact O-CB 3.39Å; A65-L69 PolarHBondContact O-N 3.24Å; L66-L69 HydrophobicContact CD2-CD2 4.08Å; L66-L69 WeakPolarHBondContact O-CB 3.18Å; L66-L69 PolarHBondContact O-N 2.86Å; T67-L69 VanDerWaalsContact C-N 3.35Å; T67-L69 PolarHBondContact O-N 2.86Å; L69-C72 PolarHBondContact O-N 2.9Å; L69-V73 PolarHBondContact O-N 3.43Å; L69-F80 HydrophobicContact CD1-CE1 4.05Å; L69-F80 HydrophobicContact CD1-CZ 4.1Å; L69-F89 HydrophobicContact CD2-CE2 4.04Å; L69-F89 HydrophobicContact CD2-CZ 4.27Å; L69-W115 HydrophobicContact CD2-CH2 3.88Å; L69-W115 HydrophobicContact CG-CH2 3.9Å; L69-W115 HydrophobicContact CG-CZ2 4.36Å
70G94Very high94.1Very high1 Ų124.8 Ų24.81%0.0114%0.135CC..Hα-helixtrans-60-47.217500000111.8L66 T67 L68 C72 V73 S74L66-G70 PolarHBondContact O-N 3.18Å; T67-G70 PolarHBondContact O-N 3.37Å; L68-G70 PolarHBondContact O-N 3.15Å; G70-C72 VanDerWaalsContact C-N 3.34Å; G70-C72 PolarHBondContact O-N 2.9Å; G70-V73 PolarHBondContact O-N 3.41Å; G70-V73 VanDerWaalsContact O-N 3.08Å; G70-S74 PolarHBondContact O-N 3.21Å; G70-S74 PolarHBondContact O-OG 2.91Å
71A93.9Very high94.2Very high0 Ų021.9 Ų21.90%012%0.121CC..Hα-helixtrans-60.1-42.8178.400000111.9W26 I29 T67 L68 V73 S74 N75 A155W26-A71 HydrophobicContact CZ3-CB 4.16Å; I29-A71 HydrophobicContact CG2-CB 3.44Å; I29-A71 VanDerWaalsContact CG2-CB 3.44Å; T67-A71 PolarHBondContact O-N 3.09Å; L68-A71 PolarHBondContact O-N 2.96Å; A71-V73 VanDerWaalsContact C-N 3.35Å; A71-V73 PolarHBondContact O-N 2.96Å; A71-S74 PolarHBondContact O-N 2.97Å; A71-N75 WeakPolarHBondContact O-CB 3.36Å; A71-N75 PolarHBondContact O-N 3.32Å; A71-N75 PolarHBondContact O-ND2 2.91Å; A71-A155 WeakPolarHBondContact CA-O 3.5Å; A71-A155 HydrophobicContact CB-CB 4.23Å
72C94.9Very high94Very high0 Ų025.7 Ų25.70%014%0.141CC..Hα-helixtrans-63.8-35.6174-680000113L68 L69 G70 C76 F80L68-C72 PolarHBondContact O-N 3.38Å; L68-C72 PolarHBondContact O-SG 3.14Å; L68-C72 VanDerWaalsContact O-SG 3.38Å; L69-C72 PolarHBondContact O-N 2.9Å; G70-C72 VanDerWaalsContact C-N 3.34Å; G70-C72 PolarHBondContact O-N 2.9Å; C72-C76 WeakPolarHBondContact O-CB 3.23Å; C72-C76 PolarHBondContact O-N 3.32Å; C72-C76 PolarHBondContact O-SG 2.93Å; C72-F80 HydrophobicContact CB-CD1 4.07Å; C72-F80 HydrophobicContact CB-CD2 4.22Å; C72-F80 HydrophobicContact CB-CE1 3.6Å; C72-F80 HydrophobicContact CB-CE2 3.77Å; C72-F80 HydrophobicContact CB-CG 4.37Å; C72-F80 HydrophobicContact CB-CZ 3.43Å; C72-F80 VanDerWaalsContact CB-CZ 3.43Å
73V94.6Very high94Very high0 Ų027.6 Ų27.60%015%0.15CC..Hα-helixtrans-65.6-49.8174.3170.20000111.3L69 G70 A71 N75 F80 H81 V84 W115 F119L69-V73 PolarHBondContact O-N 3.43Å; G70-V73 PolarHBondContact O-N 3.41Å; G70-V73 VanDerWaalsContact O-N 3.08Å; A71-V73 VanDerWaalsContact C-N 3.35Å; A71-V73 PolarHBondContact O-N 2.96Å; V73-N75 PolarHBondContact O-N 3.35Å; V73-F80 HydrophobicContact CG2-CD1 3.84Å; V73-F80 HydrophobicContact CG2-CE1 3.8Å; V73-H81 PolarHBondContact O-CD2 3.01Å; V73-H81 PolarHBondContact O-NE2 2.81Å; V73-V84 HydrophobicContact CG2-CG2 3.97Å; V73-W115 HydrophobicContact CB-CZ2 4.12Å; V73-W115 HydrophobicContact CG1-CD2 4.3Å; V73-W115 HydrophobicContact CG1-CG 4.19Å; V73-W115 HydrophobicContact CG2-CD2 4.4Å; V73-W115 HydrophobicContact CG2-CH2 4.09Å; V73-W115 HydrophobicContact CG2-CZ2 3.61Å; V73-F119 HydrophobicContact CG1-CE1 4.12Å; V73-F119 HydrophobicContact CG1-CZ 3.76Å
74S92.1Very high94Very high48 Ų4824.9 Ų24.934%0.33614%0.137SC..Hα-helixtrans-71.1-30.3-175.8-55.80000113.9G70 A71G70-S74 PolarHBondContact O-N 3.21Å; G70-S74 PolarHBondContact O-OG 2.91Å; A71-S74 PolarHBondContact O-N 2.97Å
75N92.2Very high93.9Very high80 Ų8025 Ų2543%0.42814%0.138SC..Hα-helixtrans-102.6-27.5-173.7-62.9-87.9000114.2C33 A71 V73C33-N75 HydrophobicContact CB-CB 4.17Å; A71-N75 WeakPolarHBondContact O-CB 3.36Å; A71-N75 PolarHBondContact O-N 3.32Å; A71-N75 PolarHBondContact O-ND2 2.91Å; V73-N75 PolarHBondContact O-N 3.35Å
76C92.3Very high93.8Very high17 Ų1725.9 Ų25.912%0.11515%0.145CC..Hα-helixtrans-90.9-7.2-177.5-53.40000114V36 C72 I79 F80V36-C76 HydrophobicContact CG1-CB 3.86Å; C72-C76 WeakPolarHBondContact O-CB 3.23Å; C72-C76 PolarHBondContact O-N 3.32Å; C72-C76 PolarHBondContact O-SG 2.93Å; C76-I79 WeakPolarHBondContact O-CG1 3.49Å; C76-F80 HydrophobicContact CB-CB 3.59Å; C76-F80 HydrophobicContact CB-CD2 4.43Å; C76-F80 HydrophobicContact CB-CG 4.13Å
77G90.4Very high93.6Very high26 Ų2636.1 Ų36.127%0.26818%0.183SC..THydrogen-bonded Turntrans59.5-156.8174.800000115.4I79 F80 H81G77-I79 PolarHBondContact O-N 3.35Å; G77-F80 PolarHBondContact O-N 3.41Å; G77-H81 PolarHBondContact O-CD2 2.95Å; G77-H81 VanDerWaalsContact O-CD2 3.26Å; G77-H81 PolarHBondContact O-N 3.48Å
78K91.8Very high93.4Very high90 Ų9040.7 Ų40.739%0.39121%0.208SC..Hα-helixtrans-57.1-28.6-167.2-173.7163.1174.9166.50114.9F80 H81 L82 D122K78-F80 VanDerWaalsContact C-N 3.25Å; K78-F80 PolarHBondContact O-N 3.33Å; K78-H81 PolarHBondContact O-N 2.91Å; K78-L82 HydrophobicContact CG-CD1 4.32Å; K78-L82 HydrophobicContact CG-CG 4.34Å; K78-L82 VanDerWaalsContact O-CG 3.32Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.2Å; K78-L82 VanDerWaalsContact O-N 3.09Å; K78-D122 VanDerWaalsContact CE-OD2 3.22Å; K78-D122 WeakPolarHBondContact CE-OD2 3.41Å; K78-D122 IonicContact NZ-OD1 2.63Å; K78-D122 IonicContact NZ-OD2 3.82Å; K78-D122 PolarHBondContact NZ-OD2 3.5Å
79I92.6Very high93.4Very high93 Ų9340.9 Ų40.948%0.47721%0.208SC..Hα-helixtrans-66.2-26.717659.6167.1000113P43 C76 G77P43-I79 WeakPolarHBondContact CB-O 3.38Å; P43-I79 HydrophobicContact CG-CB 4.23Å; P43-I79 HydrophobicContact CG-CD1 4.06Å; P43-I79 HydrophobicContact CG-CG1 4.16Å; C76-I79 WeakPolarHBondContact O-CG1 3.49Å; G77-I79 PolarHBondContact O-N 3.35Å
80F95.2Very high93.2Very high0 Ų042 Ų420%022%0.217CC..Hα-helixtrans-92.5-36.9173.4-165.1-91000111.6V36 P43 L47 I50 L69 C72 V73 C76 G77 K78 L82 E83 V84V36-F80 HydrophobicContact CG1-CD2 4.04Å; P43-F80 HydrophobicContact CB-CB 4.42Å; P43-F80 HydrophobicContact CB-CD2 3.89Å; L47-F80 HydrophobicContact CB-CE2 4.22Å; L47-F80 HydrophobicContact CB-CZ 4.19Å; L47-F80 HydrophobicContact CD1-CZ 4.08Å; I50-F80 HydrophobicContact CD1-CZ 4.4Å; L69-F80 HydrophobicContact CD1-CE1 4.05Å; L69-F80 HydrophobicContact CD1-CZ 4.1Å; C72-F80 HydrophobicContact CB-CD1 4.07Å; C72-F80 HydrophobicContact CB-CD2 4.22Å; C72-F80 HydrophobicContact CB-CE1 3.6Å; C72-F80 HydrophobicContact CB-CE2 3.77Å; C72-F80 HydrophobicContact CB-CG 4.37Å; C72-F80 HydrophobicContact CB-CZ 3.43Å; C72-F80 VanDerWaalsContact CB-CZ 3.43Å; V73-F80 HydrophobicContact CG2-CD1 3.84Å; V73-F80 HydrophobicContact CG2-CE1 3.8Å; C76-F80 HydrophobicContact CB-CB 3.59Å; C76-F80 HydrophobicContact CB-CD2 4.43Å; C76-F80 HydrophobicContact CB-CG 4.13Å; G77-F80 PolarHBondContact O-N 3.41Å; K78-F80 VanDerWaalsContact C-N 3.25Å; K78-F80 PolarHBondContact O-N 3.33Å; F80-L82 PolarHBondContact O-N 2.96Å; F80-E83 PolarHBondContact O-N 3.44Å; F80-V84 HydrophobicContact CD1-CG2 3.78Å; F80-V84 HydrophobicContact CE1-CG2 3.56Å; F80-V84 HydrophobicContact CZ-CG2 4.46Å; F80-V84 PolarHBondContact O-N 3.28Å; F80-V84 VanDerWaalsContact O-N 3.1Å
81H93.8Very high93.1Very high21 Ų2145.2 Ų45.210%0.09724%0.24CC..Hα-helixtrans-54.6-39.4174.9-54166.5000112.1V73 G77 K78 E83 V84 C85 E118 F119 L125V73-H81 PolarHBondContact O-CD2 3.01Å; V73-H81 PolarHBondContact O-NE2 2.81Å; G77-H81 PolarHBondContact O-CD2 2.95Å; G77-H81 VanDerWaalsContact O-CD2 3.26Å; G77-H81 PolarHBondContact O-N 3.48Å; K78-H81 PolarHBondContact O-N 2.91Å; H81-E83 VanDerWaalsContact C-N 3.33Å; H81-E83 PolarHBondContact O-N 3.19Å; H81-V84 PolarHBondContact O-N 3.37Å; H81-C85 VanDerWaalsContact O-CB 3.28Å; H81-C85 WeakPolarHBondContact O-CB 3.38Å; H81-C85 PolarHBondContact O-N 3.46Å; H81-C85 PolarHBondContact O-SG 3.3Å; H81-E118 IonicContact CE1-OE1 2.65Å; H81-E118 IonicContact NE2-OE1 3.39Å; H81-F119 HydrophobicContact CB-CE1 4.27Å; H81-F119 HydrophobicContact CB-CE2 4.39Å; H81-F119 HydrophobicContact CB-CZ 3.94Å; H81-F119 AromaticContact CD2-CE1 3.68Å; H81-F119 AromaticContact CD2-CZ 3.62Å; H81-F119 AromaticContact CE1-CE1 3.65Å; H81-F119 AromaticContact CG-CE1 3.66Å; H81-F119 AromaticContact CG-CZ 3.69Å; H81-F119 AromaticContact ND1-CE1 3.69Å; H81-F119 AromaticContact NE2-CE1 3.67Å; H81-L125 HydrophobicContact CB-CD1 3.83Å; H81-L125 HydrophobicContact CB-CD2 3.72Å; H81-L125 HydrophobicContact CB-CG 4.45Å
82L92.8Very high93.1Very high81 Ų8148.6 Ų48.642%0.42426%0.256SS..Hα-helixtrans-65.3-28.9177.2-72.9169.6000114.4K78 F80 L125K78-L82 HydrophobicContact CG-CD1 4.32Å; K78-L82 HydrophobicContact CG-CG 4.34Å; K78-L82 VanDerWaalsContact O-CG 3.32Å; K78-L82 WeakPolarHBondContact O-CG 3.45Å; K78-L82 PolarHBondContact O-N 3.2Å; K78-L82 VanDerWaalsContact O-N 3.09Å; F80-L82 PolarHBondContact O-N 2.96Å; L82-L125 HydrophobicContact CD2-CD2 4.08Å; L82-L125 HydrophobicContact CG-CD2 4.42Å
83E94.6Very high93.1Very high41 Ų4148.7 Ų48.719%0.19226%0.256CS..Hα-helixtrans-81.8-31.7175.7-74.4-69.916500111.8P43 K44 L47 F80 H81 S86P43-E83 HydrophobicContact CB-CG 4.12Å; K44-E83 HydrophobicContact CB-CG 4.15Å; K44-E83 WeakPolarHBondContact CD-OE1 3.5Å; K44-E83 WeakPolarHBondContact CG-OE2 3.42Å; K44-E83 IonicContact NZ-OE1 2.64Å; K44-E83 PolarHBondContact NZ-OE1 3.4Å; K44-E83 IonicContact NZ-OE2 2.76Å; K44-E83 PolarHBondContact NZ-OE2 3.47Å; L47-E83 VanDerWaalsContact CD2-C 3.49Å; L47-E83 HydrophobicContact CD2-CB 3.84Å; L47-E83 VanDerWaalsContact CD2-O 3.27Å; L47-E83 WeakPolarHBondContact CD2-O 3.35Å; F80-E83 PolarHBondContact O-N 3.44Å; H81-E83 VanDerWaalsContact C-N 3.33Å; H81-E83 PolarHBondContact O-N 3.19Å; E83-S86 WeakPolarHBondContact O-CB 3.36Å; E83-S86 PolarHBondContact O-N 3.17Å; E83-S86 PolarHBondContact O-OG 2.92Å
84V94.3Very high93Very high0 Ų050.6 Ų50.60%027%0.27CS..Hα-helixtrans-69.8-36.7169.8175.90000110.8L47 V73 F80 H81 S86 F89 W115 I128L47-V84 HydrophobicContact CD1-CG2 4.29Å; L47-V84 HydrophobicContact CD2-CG2 4.26Å; V73-V84 HydrophobicContact CG2-CG2 3.97Å; F80-V84 HydrophobicContact CD1-CG2 3.78Å; F80-V84 HydrophobicContact CE1-CG2 3.56Å; F80-V84 HydrophobicContact CZ-CG2 4.46Å; F80-V84 PolarHBondContact O-N 3.28Å; F80-V84 VanDerWaalsContact O-N 3.1Å; H81-V84 PolarHBondContact O-N 3.37Å; V84-S86 PolarHBondContact O-N 2.92Å; V84-F89 HydrophobicContact CG1-CD1 3.97Å; V84-F89 HydrophobicContact CG1-CE1 3.72Å; V84-F89 HydrophobicContact CG1-CG 4.47Å; V84-F89 HydrophobicContact CG1-CZ 4.04Å; V84-F89 WeakPolarHBondContact O-CB 3.45Å; V84-F89 WeakPolarHBondContact O-CD1 3.39Å; V84-F89 WeakPolarHBondContact O-CG 3.49Å; V84-W115 HydrophobicContact CG1-CE3 3.92Å; V84-W115 HydrophobicContact CG1-CH2 4.45Å; V84-W115 HydrophobicContact CG1-CZ3 3.69Å; V84-I128 HydrophobicContact CG1-CD1 3.85Å
85C93.9Very high93Very high17 Ų1750.6 Ų50.612%0.11527%0.266CS..THydrogen-bonded Turntrans-76.638.6170.5-67.70000113.4H81 L125 L127H81-C85 VanDerWaalsContact O-CB 3.28Å; H81-C85 WeakPolarHBondContact O-CB 3.38Å; H81-C85 PolarHBondContact O-N 3.46Å; H81-C85 PolarHBondContact O-SG 3.3Å; C85-L125 HydrophobicContact CB-CD2 4.19Å; C85-L125 PolarHBondContact SG-O 3.11Å; C85-L125 VanDerWaalsContact SG-O 3.4Å; C85-L127 HydrophobicContact CB-CB 4.41Å; C85-L127 VanDerWaalsContact O-CD2 3.22Å; C85-L127 WeakPolarHBondContact O-CD2 3.25Å
86S93.8Very high93.1Very high19 Ų1946.9 Ų46.913%0.13325%0.246CC..SBendtrans-108.4158.7178.471.70000113.4E83 V84 D88 F89 A90E83-S86 WeakPolarHBondContact O-CB 3.36Å; E83-S86 PolarHBondContact O-N 3.17Å; E83-S86 PolarHBondContact O-OG 2.92Å; V84-S86 PolarHBondContact O-N 2.92Å; S86-D88 VanDerWaalsContact C-N 3.29Å; S86-F89 WeakPolarHBondContact OG-CB 3.5Å; S86-F89 PolarHBondContact OG-N 3.07Å; S86-F89 VanDerWaalsContact OG-N 3.11Å; S86-A90 PolarHBondContact O-N 3.44Å; S86-A90 VanDerWaalsContact O-N 3.11Å
87R91.4Very high93Very high215 Ų21547.4 Ų47.481%0.81125%0.248SC*.Hα-helixtrans-68.2-29.8171.9-68.8-179.262.2-172.2-2.5112.6A90 S91R87-A90 PolarHBondContact O-N 3.12Å; R87-S91 PolarHBondContact O-N 3.12Å; R87-S91 VanDerWaalsContact O-N 3.12Å
88D91.3Very high93.1Very high105 Ų10552 Ų5256%0.56127%0.266SS*.Hα-helixtrans-65.6-49.7177.2-58.3-24.6000109.2S86 A90 S91 E92S86-D88 VanDerWaalsContact C-N 3.29Å; D88-A90 PolarHBondContact O-N 3.28Å; D88-S91 PolarHBondContact O-N 3.45Å; D88-S91 VanDerWaalsContact O-N 3.12Å; D88-S91 PolarHBondContact O-OG 3.26Å; D88-E92 PolarHBondContact O-N 2.98Å
89F94.8Very high93Very high4 Ų455.5 Ų55.52%0.01828%0.282CS..Hα-helixtrans-58.4-43.7173.9-174.7-102.5000112.4L47 M51 L69 V84 S86 S91 E92 V93 W115 I128 M131L47-F89 HydrophobicContact CD1-CD2 4.11Å; L47-F89 HydrophobicContact CD1-CE2 4.29Å; L47-F89 HydrophobicContact CD2-CD2 4.36Å; M51-F89 HydrophobicContact CE-CD2 4.35Å; M51-F89 HydrophobicContact CE-CE2 4.04Å; M51-F89 HydrophobicContact CG-CD2 4.38Å; M51-F89 HydrophobicContact CG-CE2 4.49Å; M51-F89 HydrophobicContact SD-CD2 4.19Å; M51-F89 HydrophobicContact SD-CE2 3.76Å; L69-F89 HydrophobicContact CD2-CE2 4.04Å; L69-F89 HydrophobicContact CD2-CZ 4.27Å; V84-F89 HydrophobicContact CG1-CD1 3.97Å; V84-F89 HydrophobicContact CG1-CE1 3.72Å; V84-F89 HydrophobicContact CG1-CG 4.47Å; V84-F89 HydrophobicContact CG1-CZ 4.04Å; V84-F89 WeakPolarHBondContact O-CB 3.45Å; V84-F89 WeakPolarHBondContact O-CD1 3.39Å; V84-F89 WeakPolarHBondContact O-CG 3.49Å; S86-F89 WeakPolarHBondContact OG-CB 3.5Å; S86-F89 PolarHBondContact OG-N 3.07Å; S86-F89 VanDerWaalsContact OG-N 3.11Å; F89-S91 VanDerWaalsContact C-N 3.25Å; F89-S91 PolarHBondContact O-N 3.34Å; F89-E92 PolarHBondContact O-N 3.16Å; F89-E92 VanDerWaalsContact O-N 3.16Å; F89-V93 HydrophobicContact CD1-CG2 3.78Å; F89-V93 HydrophobicContact CD2-CG2 4.45Å; F89-V93 HydrophobicContact CE1-CG2 3.33Å; F89-V93 HydrophobicContact CE2-CG2 4.08Å; F89-V93 HydrophobicContact CG-CG2 4.32Å; F89-V93 HydrophobicContact CZ-CG2 3.5Å; F89-V93 VanDerWaalsContact CZ-CG2 3.5Å; F89-V93 WeakPolarHBondContact O-CG2 3.38Å; F89-V93 PolarHBondContact O-N 3.43Å; F89-W115 HydrophobicContact CE1-CZ3 4.13Å; F89-W115 HydrophobicContact CZ-CH2 4.36Å; F89-W115 AromaticContact CZ-CZ3 3.85Å; F89-W115 HydrophobicContact CZ-CZ3 3.85Å; F89-I128 HydrophobicContact CE1-CD1 4.47Å; F89-M131 HydrophobicContact CD1-CE 4.34Å; F89-M131 HydrophobicContact CD1-SD 4.38Å
90A92.2Very high92.8Very high23 Ų2352.8 Ų52.819%0.1928%0.276CS..Hα-helixtrans-56.9-37.7175.700000113.2S86 R87 D88 S94 M131S86-A90 PolarHBondContact O-N 3.44Å; S86-A90 VanDerWaalsContact O-N 3.11Å; R87-A90 PolarHBondContact O-N 3.12Å; D88-A90 PolarHBondContact O-N 3.28Å; A90-S94 WeakPolarHBondContact O-CB 3.43Å; A90-S94 PolarHBondContact O-N 2.91Å; A90-S94 VanDerWaalsContact O-N 3.14Å; A90-S94 PolarHBondContact O-OG 2.64Å; A90-M131 HydrophobicContact CB-CE 3.82Å; A90-M131 HydrophobicContact CB-CG 3.98Å; A90-M131 HydrophobicContact CB-SD 3.57Å; A90-M131 VanDerWaalsContact CB-SD 3.57Å
91S92.4Very high92.7Very high70 Ų7056.6 Ų56.649%0.4929%0.294SS..Hα-helixtrans-73.4-38.1177.674.30000112.5R87 D88 F89 S94 N95R87-S91 PolarHBondContact O-N 3.12Å; R87-S91 VanDerWaalsContact O-N 3.12Å; D88-S91 PolarHBondContact O-N 3.45Å; D88-S91 VanDerWaalsContact O-N 3.12Å; D88-S91 PolarHBondContact O-OG 3.26Å; F89-S91 VanDerWaalsContact C-N 3.25Å; F89-S91 PolarHBondContact O-N 3.34Å; S91-S94 PolarHBondContact O-N 3.39Å; S91-N95 PolarHBondContact O-N 3.03Å
92E94.6Very high92.5Very high71 Ų7160 Ų6033%0.33232%0.318SS..Hα-helixtrans-67.6-44.5174.6-75.8-65.116300112.3M51 N55 D88 F89 S94 N95 V96M51-E92 HydrophobicContact CE-CB 3.71Å; N55-E92 PolarHBondContact ND2-OE2 3.41Å; D88-E92 PolarHBondContact O-N 2.98Å; F89-E92 PolarHBondContact O-N 3.16Å; F89-E92 VanDerWaalsContact O-N 3.16Å; E92-S94 VanDerWaalsContact C-N 3.27Å; E92-S94 PolarHBondContact O-N 3.23Å; E92-N95 WeakPolarHBondContact O-CB 3.38Å; E92-N95 PolarHBondContact O-N 2.62Å; E92-V96 WeakPolarHBondContact O-CG2 3.38Å; E92-V96 PolarHBondContact O-N 3.17Å
93V94Very high92.4Very high1 Ų162.6 Ų62.61%0.00633%0.326CS..Hα-helixtrans-53.7-47.3171.11660000110.5F89 N95 V96 L97 L108 M112 L135F89-V93 HydrophobicContact CD1-CG2 3.78Å; F89-V93 HydrophobicContact CD2-CG2 4.45Å; F89-V93 HydrophobicContact CE1-CG2 3.33Å; F89-V93 HydrophobicContact CE2-CG2 4.08Å; F89-V93 HydrophobicContact CG-CG2 4.32Å; F89-V93 HydrophobicContact CZ-CG2 3.5Å; F89-V93 VanDerWaalsContact CZ-CG2 3.5Å; F89-V93 WeakPolarHBondContact O-CG2 3.38Å; F89-V93 PolarHBondContact O-N 3.43Å; V93-N95 VanDerWaalsContact C-N 3.3Å; V93-N95 PolarHBondContact O-N 2.96Å; V93-V96 PolarHBondContact O-N 3.03Å; V93-L97 HydrophobicContact CG1-CD1 3.78Å; V93-L97 HydrophobicContact CG1-CG 4.28Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 VanDerWaalsContact O-CG 3.29Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3.01Å; V93-L108 HydrophobicContact CG1-CD2 4.38Å; V93-L108 HydrophobicContact CG2-CD1 4.39Å; V93-L108 HydrophobicContact CG2-CD2 4.39Å; V93-M112 HydrophobicContact CG1-CE 3.95Å; V93-M112 HydrophobicContact CG1-SD 3.54Å; V93-M112 VanDerWaalsContact CG1-SD 3.54Å; V93-M112 HydrophobicContact CG2-SD 4.35Å; V93-L135 HydrophobicContact CG1-CD1 4.05Å
94S91.8Very high92.4Very high41 Ų4160.8 Ų60.829%0.28732%0.317SS..Hα-helixtrans-63.4-36.1178.5-58.20000112.1A90 S91 E92 N98A90-S94 WeakPolarHBondContact O-CB 3.43Å; A90-S94 PolarHBondContact O-N 2.91Å; A90-S94 VanDerWaalsContact O-N 3.14Å; A90-S94 PolarHBondContact O-OG 2.64Å; S91-S94 PolarHBondContact O-N 3.39Å; E92-S94 VanDerWaalsContact C-N 3.27Å; E92-S94 PolarHBondContact O-N 3.23Å; S94-N98 WeakPolarHBondContact O-CB 3.48Å; S94-N98 PolarHBondContact O-N 3.07Å; S94-N98 PolarHBondContact O-ND2 3.3Å
95N93.1Very high92.3Very high47 Ų4761.4 Ų61.425%0.25132%0.321SS..Hα-helixtrans-68.9-46175.3-176.873.2000112.2N55 S91 E92 V93 N98 K99N55-N95 PolarHBondContact OD1-ND2 3.31Å; S91-N95 PolarHBondContact O-N 3.03Å; E92-N95 WeakPolarHBondContact O-CB 3.38Å; E92-N95 PolarHBondContact O-N 2.62Å; V93-N95 VanDerWaalsContact C-N 3.3Å; V93-N95 PolarHBondContact O-N 2.96Å; N95-N98 PolarHBondContact O-N 3.03Å; N95-K99 WeakPolarHBondContact O-CB 3.47Å; N95-K99 PolarHBondContact O-N 3.09Å; N95-K99 VanDerWaalsContact O-N 3.12Å; N95-K99 WeakPolarHBondContact OD1-CD 3.19Å; N95-K99 WeakPolarHBondContact OD1-CE 3.41Å; N95-K99 PolarHBondContact OD1-NZ 3.12Å
96V94Very high92.2Very high2 Ų265.9 Ų65.91%0.01234%0.341CS..Hα-helixtrans-62.9-46.7178.1173.80000110.6M51 V54 E92 V93 N98 K99 G100 V104 C105 L108M51-V96 HydrophobicContact CE-CG2 4.37Å; V54-V96 HydrophobicContact CG1-CG1 4.02Å; V54-V96 HydrophobicContact CG1-CG2 3.89Å; E92-V96 WeakPolarHBondContact O-CG2 3.38Å; E92-V96 PolarHBondContact O-N 3.17Å; V93-V96 PolarHBondContact O-N 3.03Å; V96-N98 PolarHBondContact O-N 3.17Å; V96-K99 PolarHBondContact O-N 2.98Å; V96-G100 VanDerWaalsContact O-CA 3.28Å; V96-G100 WeakPolarHBondContact O-CA 3.47Å; V96-G100 PolarHBondContact O-N 3.19Å; V96-V104 HydrophobicContact CG1-CG1 4.28Å; V96-C105 PolarHBondContact O-SG 3.46Å; V96-C105 VanDerWaalsContact O-SG 3.37Å; V96-L108 HydrophobicContact CB-CD2 4.02Å; V96-L108 HydrophobicContact CG1-CD2 3.7Å
97L91.3Very high92.2Very high29 Ų2966.2 Ų66.215%0.15234%0.34CS..Hα-helixtrans-64.7-24.5179.9-67.8177.9000113.8V93 C105 L108 K109 L135V93-L97 HydrophobicContact CG1-CD1 3.78Å; V93-L97 HydrophobicContact CG1-CG 4.28Å; V93-L97 WeakPolarHBondContact O-CB 3.41Å; V93-L97 VanDerWaalsContact O-CG 3.29Å; V93-L97 WeakPolarHBondContact O-CG 3.48Å; V93-L97 PolarHBondContact O-N 3.01Å; L97-C105 HydrophobicContact CD2-CB 3.82Å; L97-L108 HydrophobicContact CD2-CD2 4.22Å; L97-L108 HydrophobicContact CG-CD2 4.32Å; L97-K109 HydrophobicContact CD2-CD 4.49Å; L97-K109 HydrophobicContact CD2-CG 3.96Å; L97-L135 HydrophobicContact CD1-CD1 3.83Å; L97-L135 HydrophobicContact CD1-CD2 4.29Å
98N90.5Very high92.3Very high123 Ų12356 Ų5666%0.65830%0.301SS*.Hα-helixtrans-92.2-17178.4-81.4-72.8000114.7S94 N95 V96S94-N98 WeakPolarHBondContact O-CB 3.48Å; S94-N98 PolarHBondContact O-N 3.07Å; S94-N98 PolarHBondContact O-ND2 3.3Å; N95-N98 PolarHBondContact O-N 3.03Å; V96-N98 PolarHBondContact O-N 3.17Å
99K90.1Very high92.3Very high163 Ų16352.8 Ų52.871%0.70928%0.282SS*.Hα-helixtrans-131.5-15.2-173.2-63.4176-173.6161.40115N95 V96N95-K99 WeakPolarHBondContact O-CB 3.47Å; N95-K99 PolarHBondContact O-N 3.09Å; N95-K99 VanDerWaalsContact O-N 3.12Å; N95-K99 WeakPolarHBondContact OD1-CD 3.19Å; N95-K99 WeakPolarHBondContact OD1-CE 3.41Å; N95-K99 PolarHBondContact OD1-NZ 3.12Å; V96-K99 PolarHBondContact O-N 2.98Å
100G88.9Confident92.2Very high35 Ų3552.6 Ų52.636%0.36128%0.282SS..SBendtrans-77.5165.3-174.500000113.5V96V96-G100 VanDerWaalsContact O-CA 3.28Å; V96-G100 WeakPolarHBondContact O-CA 3.47Å; V96-G100 PolarHBondContact O-N 3.19Å
101H92.8Very high92.2Very high81 Ų8151.6 Ų51.638%0.37527%0.273SS..  trans-68.9139.5174.9178.2-96.8000110.9P59 K103 V104 C105P59-H101 HydrophobicContact CB-CB 3.93Å; P59-H101 HydrophobicContact CG-CB 3.76Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact ND1-N 2.85Å; H101-K103 PolarHBondContact O-N 3.23Å; H101-K103 VanDerWaalsContact O-N 3.12Å; H101-V104 HydrophobicContact CB-CG2 4.08Å; H101-V104 WeakPolarHBondContact O-CA 3.13Å; H101-V104 WeakPolarHBondContact O-CB 3.36Å; H101-V104 PolarHBondContact O-N 3.08Å; H101-C105 PolarHBondContact O-N 3.45Å
102P91.1Very high92.2Very high93 Ų9348.2 Ų48.260%0.60425%0.249SC*.Hα-helixtrans-50-43.6-172.413.3-30.2000115.1V104 C105 E106P102-V104 VanDerWaalsContact C-N 3.33Å; P102-V104 PolarHBondContact O-N 3.38Å; P102-C105 WeakPolarHBondContact O-CB 3.38Å; P102-C105 PolarHBondContact O-N 2.88Å; P102-E106 WeakPolarHBondContact O-CB 3.38Å; P102-E106 PolarHBondContact O-N 3.47Å
103K89.8Confident92.1Very high135 Ų13545.1 Ų45.159%0.58724%0.235SC*.Hα-helixtrans-62.6-35.5176.6-67.8-167.9173.1-166.70113.8M63 H101 E106 K107M63-K103 HydrophobicContact SD-CB 4.23Å; H101-K103 VanDerWaalsContact C-N 3.33Å; H101-K103 PolarHBondContact ND1-N 2.85Å; H101-K103 PolarHBondContact O-N 3.23Å; H101-K103 VanDerWaalsContact O-N 3.12Å; K103-E106 PolarHBondContact O-N 3.39Å; K103-K107 PolarHBondContact O-N 3Å
104V93.9Very high91.9Very high2 Ų246.6 Ų46.61%0.01224%0.242CC..Hα-helixtrans-69.2-44.6177.3-179.90000108.9V54 P59 A62 M63 L66 V96 H101 P102 E106 L108V54-V104 HydrophobicContact CG1-CG1 4.31Å; P59-V104 HydrophobicContact CB-CG2 4.36Å; A62-V104 HydrophobicContact CB-CG1 3.99Å; A62-V104 HydrophobicContact CB-CG2 3.78Å; M63-V104 HydrophobicContact CG-CG2 4.08Å; M63-V104 HydrophobicContact SD-CG2 4.04Å; L66-V104 HydrophobicContact CD1-CB 4.35Å; L66-V104 HydrophobicContact CD1-CG1 3.59Å; L66-V104 WeakPolarHBondContact CD1-O 3.26Å; L66-V104 HydrophobicContact CG-CG1 4.42Å; V96-V104 HydrophobicContact CG1-CG1 4.28Å; H101-V104 HydrophobicContact CB-CG2 4.08Å; H101-V104 WeakPolarHBondContact O-CA 3.13Å; H101-V104 WeakPolarHBondContact O-CB 3.36Å; H101-V104 PolarHBondContact O-N 3.08Å; P102-V104 VanDerWaalsContact C-N 3.33Å; P102-V104 PolarHBondContact O-N 3.38Å; V104-E106 VanDerWaalsContact C-N 3.29Å; V104-E106 PolarHBondContact O-N 3.12Å; V104-L108 VanDerWaalsContact O-CB 3.28Å; V104-L108 WeakPolarHBondContact O-CB 2.8Å; V104-L108 PolarHBondContact O-N 3Å
105C93.1Very high91.9Very high13 Ų1344.7 Ų44.79%0.08823%0.229CC..Hα-helixtrans-62.6-35.3174.6-59.40000112.4V96 L97 H101 P102 K109V96-C105 PolarHBondContact O-SG 3.46Å; V96-C105 VanDerWaalsContact O-SG 3.37Å; L97-C105 HydrophobicContact CD2-CB 3.82Å; H101-C105 PolarHBondContact O-N 3.45Å; P102-C105 WeakPolarHBondContact O-CB 3.38Å; P102-C105 PolarHBondContact O-N 2.88Å; C105-K109 WeakPolarHBondContact O-CB 3.36Å; C105-K109 WeakPolarHBondContact O-CD 3.37Å; C105-K109 WeakPolarHBondContact O-CG 3.38Å; C105-K109 PolarHBondContact O-N 3.5Å
106E92.4Very high91.8Very high111 Ų11143.7 Ų43.752%0.51922%0.224SC..Hα-helixtrans-68.7-53176.8-174.9169.8-154.800112.3P102 K103 V104 L108 K109 A110P102-E106 WeakPolarHBondContact O-CB 3.38Å; P102-E106 PolarHBondContact O-N 3.47Å; K103-E106 PolarHBondContact O-N 3.39Å; V104-E106 VanDerWaalsContact C-N 3.29Å; V104-E106 PolarHBondContact O-N 3.12Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.18Å; E106-K109 PolarHBondContact O-N 3.31Å; E106-A110 WeakPolarHBondContact O-CB 3.25Å; E106-A110 PolarHBondContact O-N 3.02Å
107K91.9Very high91.4Very high27 Ų2746.9 Ų46.912%0.11724%0.241CC..Hα-helixtrans-57-41.2174.1179.283.4-174.8-163.90111.4M63 L66 K103 A110 L111 Q152 A153M63-K107 HydrophobicContact CE-CB 3.89Å; M63-K107 HydrophobicContact CE-CD 4.21Å; M63-K107 HydrophobicContact CE-CG 4.04Å; M63-K107 HydrophobicContact SD-CB 4.08Å; L66-K107 HydrophobicContact CB-CG 3.92Å; L66-K107 HydrophobicContact CD1-CB 3.91Å; L66-K107 HydrophobicContact CD1-CG 3.94Å; K103-K107 PolarHBondContact O-N 3Å; K107-A110 PolarHBondContact O-N 3.06Å; K107-L111 HydrophobicContact CG-CD1 4.36Å; K107-L111 WeakPolarHBondContact O-CG 3.27Å; K107-L111 PolarHBondContact O-N 2.72Å; K107-Q152 PolarHBondContact NZ-O 2.8Å; K107-A153 WeakPolarHBondContact CE-O 3.37Å; K107-A153 PolarHBondContact NZ-O 3.39Å
108L93.9Very high91.1Very high0 Ų049.2 Ų49.20%025%0.251CS..Hα-helixtrans-64.1-45.2177178.459.3000112.2L66 V93 V96 L97 V104 E106 A110 L111 M112L66-L108 HydrophobicContact CD1-CB 4.03Å; L66-L108 HydrophobicContact CD2-CB 4.14Å; L66-L108 HydrophobicContact CD2-CD1 3.92Å; V93-L108 HydrophobicContact CG1-CD2 4.38Å; V93-L108 HydrophobicContact CG2-CD1 4.39Å; V93-L108 HydrophobicContact CG2-CD2 4.39Å; V96-L108 HydrophobicContact CB-CD2 4.02Å; V96-L108 HydrophobicContact CG1-CD2 3.7Å; L97-L108 HydrophobicContact CD2-CD2 4.22Å; L97-L108 HydrophobicContact CG-CD2 4.32Å; V104-L108 VanDerWaalsContact O-CB 3.28Å; V104-L108 WeakPolarHBondContact O-CB 2.8Å; V104-L108 PolarHBondContact O-N 3Å; E106-L108 VanDerWaalsContact C-N 3.29Å; E106-L108 PolarHBondContact O-N 3.18Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.41Å; L108-L111 PolarHBondContact O-N 3.44Å; L108-M112 HydrophobicContact CD1-CG 4.45Å; L108-M112 WeakPolarHBondContact O-CG 3.45Å; L108-M112 PolarHBondContact O-N 3.16Å
109K92.3Very high91.1Very high38 Ų3843.8 Ų43.817%0.16522%0.222CC..Hα-helixtrans-60.8-39.7174.8-73.1163.8179.4-162.20112L97 C105 E106 M112 V113 V140 T141 F142L97-K109 HydrophobicContact CD2-CD 4.49Å; L97-K109 HydrophobicContact CD2-CG 3.96Å; C105-K109 WeakPolarHBondContact O-CB 3.36Å; C105-K109 WeakPolarHBondContact O-CD 3.37Å; C105-K109 WeakPolarHBondContact O-CG 3.38Å; C105-K109 PolarHBondContact O-N 3.5Å; E106-K109 PolarHBondContact O-N 3.31Å; K109-M112 PolarHBondContact O-N 3Å; K109-V113 WeakPolarHBondContact O-CG2 3.28Å; K109-V113 PolarHBondContact O-N 3.02Å; K109-V140 VanDerWaalsContact CE-CG1 3.49Å; K109-T141 WeakPolarHBondContact CD-O 3.47Å; K109-T141 VanDerWaalsContact CE-O 3.26Å; K109-T141 WeakPolarHBondContact CE-O 3.43Å; K109-T141 PolarHBondContact NZ-O 3.38Å; K109-F142 HydrophobicContact CB-CD1 3.8Å; K109-F142 HydrophobicContact CB-CE1 4.14Å; K109-F142 HydrophobicContact CG-CD1 3.93Å; K109-F142 HydrophobicContact CG-CE1 3.95Å
110A91.8Very high91Very high0 Ų041.9 Ų41.90%021%0.214CC..Hα-helixtrans-65.5-47.7-18000000111.5E106 K107 L108 M112 V113 E114 P143 A149 A153E106-A110 WeakPolarHBondContact O-CB 3.25Å; E106-A110 PolarHBondContact O-N 3.02Å; K107-A110 PolarHBondContact O-N 3.06Å; L108-A110 VanDerWaalsContact C-N 3.3Å; L108-A110 PolarHBondContact O-N 3.41Å; A110-M112 PolarHBondContact O-N 3.49Å; A110-V113 PolarHBondContact O-N 2.89Å; A110-E114 PolarHBondContact O-N 3.33Å; A110-P143 HydrophobicContact CB-CG 4.13Å; A110-A149 WeakPolarHBondContact CB-O 3.45Å; A110-A153 HydrophobicContact CB-CB 3.79Å
111L92.7Very high90.9Very high1 Ų147 Ų471%0.00523%0.233CC..Hα-helixtrans-56.4-46.6172.1-74.9170.8000112.1L66 K107 L108 V113 E114 W115 A153L66-L111 HydrophobicContact CB-CD1 4.22Å; L66-L111 HydrophobicContact CD2-CD1 4.44Å; L66-L111 WeakPolarHBondContact O-CD1 3.44Å; K107-L111 HydrophobicContact CG-CD1 4.36Å; K107-L111 WeakPolarHBondContact O-CG 3.27Å; K107-L111 PolarHBondContact O-N 2.72Å; L108-L111 PolarHBondContact O-N 3.44Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 3.03Å; L111-E114 PolarHBondContact O-N 3.47Å; L111-W115 HydrophobicContact CB-CH2 4.06Å; L111-W115 HydrophobicContact CB-CZ2 3.73Å; L111-W115 HydrophobicContact CD1-CZ2 4.27Å; L111-W115 HydrophobicContact CD2-CZ2 4.11Å; L111-W115 HydrophobicContact CG-CZ2 4.26Å; L111-W115 VanDerWaalsContact O-CD2 3.23Å; L111-W115 PolarHBondContact O-N 3.36Å; L111-A153 HydrophobicContact CD2-CB 4.03Å; L111-A153 HydrophobicContact CG-CB 4.17Å
112M92.8Very high90.7Very high0 Ų044.7 Ų44.70%022%0.223CC..Hα-helixtrans-59.4-42.7176.8-70.8-178.678.900112.3V93 L108 K109 A110 W115 T116 I128 M131 I132 L135 F142V93-M112 HydrophobicContact CG1-CE 3.95Å; V93-M112 HydrophobicContact CG1-SD 3.54Å; V93-M112 VanDerWaalsContact CG1-SD 3.54Å; V93-M112 HydrophobicContact CG2-SD 4.35Å; L108-M112 HydrophobicContact CD1-CG 4.45Å; L108-M112 WeakPolarHBondContact O-CG 3.45Å; L108-M112 PolarHBondContact O-N 3.16Å; K109-M112 PolarHBondContact O-N 3Å; A110-M112 PolarHBondContact O-N 3.49Å; M112-W115 PolarHBondContact O-N 2.97Å; M112-T116 WeakPolarHBondContact O-CG2 3.5Å; M112-T116 PolarHBondContact O-N 2.63Å; M112-T116 VanDerWaalsContact O-N 3.09Å; M112-I128 HydrophobicContact CB-CG2 4.45Å; M112-I128 HydrophobicContact CE-CG2 4.42Å; M112-M131 HydrophobicContact CE-CB 3.89Å; M112-M131 HydrophobicContact CE-SD 4.26Å; M112-I132 HydrophobicContact CB-CD1 3.86Å; M112-I132 HydrophobicContact CB-CG1 4.2Å; M112-I132 HydrophobicContact CE-CG1 3.98Å; M112-I132 WeakPolarHBondContact O-CD1 3.38Å; M112-L135 HydrophobicContact CE-CD1 4.17Å; M112-F142 HydrophobicContact SD-CE1 4.32Å
113V92.3Very high90.6Very high5 Ų545.5 Ų45.53%0.0323%0.228CC..Hα-helixtrans-64.7-43.5179.4167.10000111.1K109 A110 L111 T116 I132 F142 P143 I145K109-V113 WeakPolarHBondContact O-CG2 3.28Å; K109-V113 PolarHBondContact O-N 3.02Å; A110-V113 PolarHBondContact O-N 2.89Å; L111-V113 VanDerWaalsContact C-N 3.33Å; L111-V113 PolarHBondContact O-N 3.03Å; V113-T116 PolarHBondContact O-N 3.44Å; V113-T116 PolarHBondContact O-OG1 2.82Å; V113-I132 HydrophobicContact CG2-CD1 3.93Å; V113-F142 HydrophobicContact CG2-CB 3.97Å; V113-F142 HydrophobicContact CG2-CD1 3.79Å; V113-F142 HydrophobicContact CG2-CG 4.28Å; V113-P143 HydrophobicContact CG2-CG 4.35Å; V113-I145 HydrophobicContact CG1-CB 4.33Å; V113-I145 HydrophobicContact CG1-CG1 3.49Å; V113-I145 VanDerWaalsContact CG1-CG1 3.49Å
114E90Very high90.3Very high33 Ų3345 Ų4515%0.15423%0.228CC..Hα-helixtrans-56.1-51.6172.7167158.6-123.600111.7A110 L111 T116 D117 E118 K154A110-E114 PolarHBondContact O-N 3.33Å; L111-E114 PolarHBondContact O-N 3.47Å; E114-T116 PolarHBondContact O-N 2.98Å; E114-D117 PolarHBondContact O-N 2.82Å; E114-E118 PolarHBondContact O-N 3.08Å; E114-K154 WeakPolarHBondContact OE1-CE 3.16Å; E114-K154 WeakPolarHBondContact OE1-CG 3.38Å
115W92.4Very high90.2Very high0 Ų045.2 Ų45.20%023%0.229CC..Hα-helixtrans-63.5-25179.6-54.2-25.9000113.4L69 V73 V84 F89 L111 M112 D117 F119L69-W115 HydrophobicContact CD2-CH2 3.88Å; L69-W115 HydrophobicContact CG-CH2 3.9Å; L69-W115 HydrophobicContact CG-CZ2 4.36Å; V73-W115 HydrophobicContact CB-CZ2 4.12Å; V73-W115 HydrophobicContact CG1-CD2 4.3Å; V73-W115 HydrophobicContact CG1-CG 4.19Å; V73-W115 HydrophobicContact CG2-CD2 4.4Å; V73-W115 HydrophobicContact CG2-CH2 4.09Å; V73-W115 HydrophobicContact CG2-CZ2 3.61Å; V84-W115 HydrophobicContact CG1-CE3 3.92Å; V84-W115 HydrophobicContact CG1-CH2 4.45Å; V84-W115 HydrophobicContact CG1-CZ3 3.69Å; F89-W115 HydrophobicContact CE1-CZ3 4.13Å; F89-W115 HydrophobicContact CZ-CH2 4.36Å; F89-W115 AromaticContact CZ-CZ3 3.85Å; F89-W115 HydrophobicContact CZ-CZ3 3.85Å; L111-W115 HydrophobicContact CB-CH2 4.06Å; L111-W115 HydrophobicContact CB-CZ2 3.73Å; L111-W115 HydrophobicContact CD1-CZ2 4.27Å; L111-W115 HydrophobicContact CD2-CZ2 4.11Å; L111-W115 HydrophobicContact CG-CZ2 4.26Å; L111-W115 VanDerWaalsContact O-CD2 3.23Å; L111-W115 PolarHBondContact O-N 3.36Å; M112-W115 PolarHBondContact O-N 2.97Å; W115-D117 VanDerWaalsContact C-N 3.26Å; W115-D117 PolarHBondContact O-N 2.65Å; W115-F119 HydrophobicContact CB-CD2 4.12Å; W115-F119 HydrophobicContact CB-CE1 4.48Å; W115-F119 HydrophobicContact CB-CE2 3.83Å; W115-F119 HydrophobicContact CB-CZ 4.02Å; W115-F119 HydrophobicContact CG-CE2 4.4Å; W115-F119 HydrophobicContact CG-CZ 4.24Å; W115-F119 WeakPolarHBondContact O-CB 3.38Å; W115-F119 WeakPolarHBondContact O-CD2 3.37Å; W115-F119 WeakPolarHBondContact O-CG 3.28Å; W115-F119 PolarHBondContact O-N 3.16Å
116T89.4Confident90.1Very high27 Ų2747.9 Ų47.917%0.16625%0.248CC..Hα-helixtrans-70.2-20.9172.556.20000114.3M112 V113 E114 I128 S129 I132M112-T116 WeakPolarHBondContact O-CG2 3.5Å; M112-T116 PolarHBondContact O-N 2.63Å; M112-T116 VanDerWaalsContact O-N 3.09Å; V113-T116 PolarHBondContact O-N 3.44Å; V113-T116 PolarHBondContact O-OG1 2.82Å; E114-T116 PolarHBondContact O-N 2.98Å; T116-I128 HydrophobicContact CG2-CB 4.2Å; T116-I128 HydrophobicContact CG2-CG2 3.76Å; T116-S129 WeakPolarHBondContact CG2-OG 3.49Å; T116-I132 HydrophobicContact CG2-CD1 3.55Å; T116-I132 HydrophobicContact CG2-CG1 4.23Å
117D86.3Confident90Very high69 Ų6945.5 Ų45.537%0.36924%0.239SC..Hα-helixtrans-89.7-37.9171.4-166.174000111.8E114 W115 F119 K120E114-D117 PolarHBondContact O-N 2.82Å; W115-D117 VanDerWaalsContact C-N 3.26Å; W115-D117 PolarHBondContact O-N 2.65Å; D117-F119 PolarHBondContact O-N 3.39Å; D117-K120 WeakPolarHBondContact O-CD 2.96Å; D117-K120 VanDerWaalsContact O-CE 3.25Å; D117-K120 WeakPolarHBondContact O-CE 3.13Å; D117-K120 WeakPolarHBondContact O-CG 3.35Å; D117-K120 PolarHBondContact O-NZ 3.36Å; D117-K120 WeakPolarHBondContact OD1-CD 3.42Å; D117-K120 IonicContact OD1-NZ 3.18Å; D117-K120 PolarHBondContact OD1-NZ 2.78Å; D117-K120 IonicContact OD2-NZ 2.76Å; D117-K120 PolarHBondContact OD2-NZ 3.27Å
118E85.6Confident90Very high77 Ų7744.2 Ų44.236%0.3623%0.233SC..Hα-helixtrans-61.3-43174.4-165.4-177149.300111.7H81 E114H81-E118 IonicContact CE1-OE1 2.65Å; H81-E118 IonicContact NE2-OE1 3.39Å; E114-E118 PolarHBondContact O-N 3.08Å
119F90.4Very high89.9Confident9 Ų946.7 Ų46.74%0.03925%0.25CS..THydrogen-bonded Turntrans-91.4-0.4-173.6-59.7-9.4000114.4V73 H81 W115 D117 N121 D122 L125 I128V73-F119 HydrophobicContact CG1-CE1 4.12Å; V73-F119 HydrophobicContact CG1-CZ 3.76Å; H81-F119 HydrophobicContact CB-CE1 4.27Å; H81-F119 HydrophobicContact CB-CE2 4.39Å; H81-F119 HydrophobicContact CB-CZ 3.94Å; H81-F119 AromaticContact CD2-CE1 3.68Å; H81-F119 AromaticContact CD2-CZ 3.62Å; H81-F119 AromaticContact CE1-CE1 3.65Å; H81-F119 AromaticContact CG-CE1 3.66Å; H81-F119 AromaticContact CG-CZ 3.69Å; H81-F119 AromaticContact ND1-CE1 3.69Å; H81-F119 AromaticContact NE2-CE1 3.67Å; W115-F119 HydrophobicContact CB-CD2 4.12Å; W115-F119 HydrophobicContact CB-CE1 4.48Å; W115-F119 HydrophobicContact CB-CE2 3.83Å; W115-F119 HydrophobicContact CB-CZ 4.02Å; W115-F119 HydrophobicContact CG-CE2 4.4Å; W115-F119 HydrophobicContact CG-CZ 4.24Å; W115-F119 WeakPolarHBondContact O-CB 3.38Å; W115-F119 WeakPolarHBondContact O-CD2 3.37Å; W115-F119 WeakPolarHBondContact O-CG 3.28Å; W115-F119 PolarHBondContact O-N 3.16Å; D117-F119 PolarHBondContact O-N 3.39Å; F119-N121 PolarHBondContact O-N 2.93Å; F119-D122 PolarHBondContact O-N 2.85Å; F119-L125 HydrophobicContact CB-CB 3.73Å; F119-L125 HydrophobicContact CB-CD1 4.08Å; F119-L125 HydrophobicContact CD1-CD1 3.89Å; F119-L125 HydrophobicContact CD2-CB 3.9Å; F119-L125 HydrophobicContact CD2-CD1 4.2Å; F119-L125 HydrophobicContact CE1-CD1 4.41Å; F119-L125 HydrophobicContact CG-CB 3.93Å; F119-L125 HydrophobicContact CG-CD1 3.79Å; F119-L125 HydrophobicContact CG-CG 4.5Å; F119-I128 HydrophobicContact CD2-CG1 3.98Å; F119-I128 HydrophobicContact CE2-CG1 4.05Å
120K86.9Confident89.9Confident123 Ų12347.4 Ų47.454%0.53526%0.263SS..THydrogen-bonded Turntrans-58.2-23.7-172.271.9-162.1166.6-152.70114.7D117D117-K120 WeakPolarHBondContact O-CD 2.96Å; D117-K120 VanDerWaalsContact O-CE 3.25Å; D117-K120 WeakPolarHBondContact O-CE 3.13Å; D117-K120 WeakPolarHBondContact O-CG 3.35Å; D117-K120 PolarHBondContact O-NZ 3.36Å; D117-K120 WeakPolarHBondContact OD1-CD 3.42Å; D117-K120 IonicContact OD1-NZ 3.18Å; D117-K120 PolarHBondContact OD1-NZ 2.78Å; D117-K120 IonicContact OD2-NZ 2.76Å; D117-K120 PolarHBondContact OD2-NZ 3.27Å
121N87.8Confident89.8Confident143 Ų14348.2 Ų48.277%0.76527%0.267SS*.THydrogen-bonded Turntrans-84.9-12.8-178.8-64.2-16.5000113.7F119F119-N121 PolarHBondContact O-N 2.93Å
122D88.5Confident89.7Confident33 Ų3348.6 Ų48.618%0.17627%0.269CS..  trans-113.1108.6-177.7-169.4-24.7000111.9K78 F119 Q124 L125K78-D122 VanDerWaalsContact CE-OD2 3.22Å; K78-D122 WeakPolarHBondContact CE-OD2 3.41Å; K78-D122 IonicContact NZ-OD1 2.63Å; K78-D122 IonicContact NZ-OD2 3.82Å; K78-D122 PolarHBondContact NZ-OD2 3.5Å; F119-D122 PolarHBondContact O-N 2.85Å; D122-Q124 PolarHBondContact O-N 2.68Å; D122-Q124 VanDerWaalsContact O-N 3.08Å; D122-Q124 VanDerWaalsContact OD1-CB 3.24Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.33Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.38Å; D122-Q124 PolarHBondContact OD1-N 2.72Å; D122-L125 HydrophobicContact CB-CB 4.3Å; D122-L125 HydrophobicContact CB-CD1 3.99Å; D122-L125 HydrophobicContact CB-CG 3.99Å; D122-L125 PolarHBondContact O-N 3.46Å
123P87.9Confident89.7Confident109 Ų10954.9 Ų54.971%0.70830%0.297SS*.G310 helixtrans-56.1-26.6177.3-26.935.6000114.6L125 S126P123-L125 VanDerWaalsContact C-N 3.28Å; P123-L125 PolarHBondContact O-N 2.92Å; P123-S126 WeakPolarHBondContact O-CB 3.1Å; P123-S126 PolarHBondContact O-OG 3.32Å
124Q84.6Confident89.7Confident125 Ų12558.4 Ų58.458%0.58432%0.315SS*.G310 helixtrans-71.6-23.6178.8-53.4-170.3-89.300112.7D122D122-Q124 PolarHBondContact O-N 2.68Å; D122-Q124 VanDerWaalsContact O-N 3.08Å; D122-Q124 VanDerWaalsContact OD1-CB 3.24Å; D122-Q124 WeakPolarHBondContact OD1-CB 3.33Å; D122-Q124 WeakPolarHBondContact OD1-CG 3.38Å; D122-Q124 PolarHBondContact OD1-N 2.72Å
125L90.2Very high89.8Confident6 Ų657.1 Ų57.13%0.03131%0.309CS..G310 helixtrans-97.7-0.3-177.7-56.2-177.5000113.2H81 L82 C85 F119 D122 P123 L127 I128H81-L125 HydrophobicContact CB-CD1 3.83Å; H81-L125 HydrophobicContact CB-CD2 3.72Å; H81-L125 HydrophobicContact CB-CG 4.45Å; L82-L125 HydrophobicContact CD2-CD2 4.08Å; L82-L125 HydrophobicContact CG-CD2 4.42Å; C85-L125 HydrophobicContact CB-CD2 4.19Å; C85-L125 PolarHBondContact SG-O 3.11Å; C85-L125 VanDerWaalsContact SG-O 3.4Å; F119-L125 HydrophobicContact CB-CB 3.73Å; F119-L125 HydrophobicContact CB-CD1 4.08Å; F119-L125 HydrophobicContact CD1-CD1 3.89Å; F119-L125 HydrophobicContact CD2-CB 3.9Å; F119-L125 HydrophobicContact CD2-CD1 4.2Å; F119-L125 HydrophobicContact CE1-CD1 4.41Å; F119-L125 HydrophobicContact CG-CB 3.93Å; F119-L125 HydrophobicContact CG-CD1 3.79Å; F119-L125 HydrophobicContact CG-CG 4.5Å; D122-L125 HydrophobicContact CB-CB 4.3Å; D122-L125 HydrophobicContact CB-CD1 3.99Å; D122-L125 HydrophobicContact CB-CG 3.99Å; D122-L125 PolarHBondContact O-N 3.46Å; P123-L125 VanDerWaalsContact C-N 3.28Å; P123-L125 PolarHBondContact O-N 2.92Å; L125-L127 PolarHBondContact O-N 3.16Å; L125-I128 PolarHBondContact O-N 3.36Å
126S91.3Very high89.7Confident70 Ų7062.7 Ų62.749%0.4933%0.333SS..THydrogen-bonded Turntrans-56.5-11.1179.861.70000115.9P123 I128 S129 A130P123-S126 WeakPolarHBondContact O-CB 3.1Å; P123-S126 PolarHBondContact O-OG 3.32Å; S126-I128 VanDerWaalsContact C-N 3.31Å; S126-I128 PolarHBondContact O-N 2.93Å; S126-S129 PolarHBondContact O-N 2.84Å; S126-A130 PolarHBondContact O-N 3.15Å; S126-A130 VanDerWaalsContact O-N 3.15Å
127L92Very high89.8Confident61 Ų6167.2 Ų67.232%0.31935%0.353SS..Hα-helixtrans-61.8-34.6178.6-166.569.5000112.6C85 L125 S129 A130 M131C85-L127 HydrophobicContact CB-CB 4.41Å; C85-L127 VanDerWaalsContact O-CD2 3.22Å; C85-L127 WeakPolarHBondContact O-CD2 3.25Å; L125-L127 PolarHBondContact O-N 3.16Å; L127-S129 PolarHBondContact O-N 3.47Å; L127-A130 WeakPolarHBondContact O-CB 3.21Å; L127-A130 PolarHBondContact O-N 3.36Å; L127-M131 HydrophobicContact CB-CE 4.3Å; L127-M131 HydrophobicContact CD2-CE 3.61Å; L127-M131 HydrophobicContact CG-CE 3.65Å; L127-M131 WeakPolarHBondContact O-CG 3.49Å; L127-M131 PolarHBondContact O-N 2.97Å
128I91.6Very high89.9Confident0 Ų069.4 Ų69.40%036%0.361CS..Hα-helixtrans-63.8-43.7178.1-51.3-63000110.5V84 F89 M112 T116 F119 L125 S126 A130 M131 I132V84-I128 HydrophobicContact CG1-CD1 3.85Å; F89-I128 HydrophobicContact CE1-CD1 4.47Å; M112-I128 HydrophobicContact CB-CG2 4.45Å; M112-I128 HydrophobicContact CE-CG2 4.42Å; T116-I128 HydrophobicContact CG2-CB 4.2Å; T116-I128 HydrophobicContact CG2-CG2 3.76Å; F119-I128 HydrophobicContact CD2-CG1 3.98Å; F119-I128 HydrophobicContact CE2-CG1 4.05Å; L125-I128 PolarHBondContact O-N 3.36Å; S126-I128 VanDerWaalsContact C-N 3.31Å; S126-I128 PolarHBondContact O-N 2.93Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 2.97Å; I128-M131 HydrophobicContact CD1-CE 3.71Å; I128-M131 HydrophobicContact CD1-SD 4.28Å; I128-M131 WeakPolarHBondContact O-CB 3.49Å; I128-M131 PolarHBondContact O-N 3.21Å; I128-M131 VanDerWaalsContact O-N 3.13Å; I128-I132 PolarHBondContact O-N 3.33Å
129S91.3Very high90Very high51 Ų5168.8 Ų68.836%0.35738%0.375SS..Hα-helixtrans-61.8-37.2175.6-51.70000112T116 S126 L127 K133T116-S129 WeakPolarHBondContact CG2-OG 3.49Å; S126-S129 PolarHBondContact O-N 2.84Å; L127-S129 PolarHBondContact O-N 3.47Å; S129-K133 WeakPolarHBondContact O-CB 3.45Å; S129-K133 PolarHBondContact O-N 3.42Å
130A91.9Very high89.9Confident53 Ų5369.9 Ų69.944%0.43838%0.382SS..Hα-helixtrans-67.8-40.3172.600000112.8S126 L127 I128 K133 N134S126-A130 PolarHBondContact O-N 3.15Å; S126-A130 VanDerWaalsContact O-N 3.15Å; L127-A130 WeakPolarHBondContact O-CB 3.21Å; L127-A130 PolarHBondContact O-N 3.36Å; I128-A130 VanDerWaalsContact C-N 3.28Å; I128-A130 PolarHBondContact O-N 2.97Å; A130-K133 PolarHBondContact O-N 3.11Å; A130-N134 PolarHBondContact O-N 3.34Å
131M89.9Confident90.1Very high17 Ų1769.3 Ų69.38%0.08439%0.389CS..Hα-helixtrans-60.8-49.5174-68.8179.7-139.600111.2F89 A90 M112 L127 I128 K133 N134 L135F89-M131 HydrophobicContact CD1-CE 4.34Å; F89-M131 HydrophobicContact CD1-SD 4.38Å; A90-M131 HydrophobicContact CB-CE 3.82Å; A90-M131 HydrophobicContact CB-CG 3.98Å; A90-M131 HydrophobicContact CB-SD 3.57Å; A90-M131 VanDerWaalsContact CB-SD 3.57Å; M112-M131 HydrophobicContact CE-CB 3.89Å; M112-M131 HydrophobicContact CE-SD 4.26Å; L127-M131 HydrophobicContact CB-CE 4.3Å; L127-M131 HydrophobicContact CD2-CE 3.61Å; L127-M131 HydrophobicContact CG-CE 3.65Å; L127-M131 WeakPolarHBondContact O-CG 3.49Å; L127-M131 PolarHBondContact O-N 2.97Å; I128-M131 HydrophobicContact CD1-CE 3.71Å; I128-M131 HydrophobicContact CD1-SD 4.28Å; I128-M131 WeakPolarHBondContact O-CB 3.49Å; I128-M131 PolarHBondContact O-N 3.21Å; I128-M131 VanDerWaalsContact O-N 3.13Å; M131-K133 VanDerWaalsContact C-N 3.31Å; M131-K133 PolarHBondContact O-N 3.25Å; M131-N134 PolarHBondContact O-N 2.86Å; M131-L135 WeakPolarHBondContact O-CB 3.48Å; M131-L135 VanDerWaalsContact O-CG 3.29Å; M131-L135 WeakPolarHBondContact O-CG 3.32Å; M131-L135 PolarHBondContact O-N 3.22Å
132I91.6Very high90.1Very high9 Ų963.9 Ų63.95%0.04636%0.359CS..Hα-helixtrans-59.6-44177.9-66.4-168.9000110.6M112 V113 T116 I128 N134 L135 K136 F142M112-I132 HydrophobicContact CB-CD1 3.86Å; M112-I132 HydrophobicContact CB-CG1 4.2Å; M112-I132 HydrophobicContact CE-CG1 3.98Å; M112-I132 WeakPolarHBondContact O-CD1 3.38Å; V113-I132 HydrophobicContact CG2-CD1 3.93Å; T116-I132 HydrophobicContact CG2-CD1 3.55Å; T116-I132 HydrophobicContact CG2-CG1 4.23Å; I128-I132 PolarHBondContact O-N 3.33Å; I132-N134 PolarHBondContact O-N 3.47Å; I132-L135 PolarHBondContact O-N 3.06Å; I132-K136 HydrophobicContact CG2-CD 3.89Å; I132-K136 VanDerWaalsContact CG2-CE 3.47Å; I132-K136 HydrophobicContact CG2-CG 4.34Å; I132-K136 WeakPolarHBondContact O-CB 3.46Å; I132-K136 VanDerWaalsContact O-CG 3.32Å; I132-K136 WeakPolarHBondContact O-CG 3.23Å; I132-K136 PolarHBondContact O-N 2.8Å; I132-F142 HydrophobicContact CB-CE1 4.4Å; I132-F142 HydrophobicContact CB-CZ 4.26Å; I132-F142 HydrophobicContact CD1-CD1 4.28Å; I132-F142 HydrophobicContact CD1-CE1 4.13Å; I132-F142 HydrophobicContact CG1-CD1 4.4Å; I132-F142 HydrophobicContact CG1-CE1 3.83Å; I132-F142 HydrophobicContact CG1-CZ 4.09Å; I132-F142 HydrophobicContact CG2-CD1 4.2Å; I132-F142 HydrophobicContact CG2-CD2 4.06Å; I132-F142 HydrophobicContact CG2-CE1 4.14Å; I132-F142 HydrophobicContact CG2-CE2 4.01Å; I132-F142 HydrophobicContact CG2-CG 4.14Å; I132-F142 HydrophobicContact CG2-CZ 4.05Å
133K92.4Very high89.9Confident133 Ų13364 Ų6458%0.57836%0.361SS*.Hα-helixtrans-59-48.2177.2-178176172.8-1790111.3S129 A130 M131 L135 K136 E137S129-K133 WeakPolarHBondContact O-CB 3.45Å; S129-K133 PolarHBondContact O-N 3.42Å; A130-K133 PolarHBondContact O-N 3.11Å; M131-K133 VanDerWaalsContact C-N 3.31Å; M131-K133 PolarHBondContact O-N 3.25Å; K133-L135 PolarHBondContact O-N 3.41Å; K133-K136 WeakPolarHBondContact O-CB 3.34Å; K133-K136 PolarHBondContact O-N 2.86Å; K133-E137 WeakPolarHBondContact CE-OE1 3.48Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.42Å
134N92.4Very high89.4Confident78 Ų7862.1 Ų62.142%0.41736%0.355SS..Hα-helixtrans-70.3-32.5-178.5-169.3-113.8000113.4A130 M131 I132 E137 Q138A130-N134 PolarHBondContact O-N 3.34Å; M131-N134 PolarHBondContact O-N 2.86Å; I132-N134 PolarHBondContact O-N 3.47Å; N134-E137 WeakPolarHBondContact CA-OE2 3.36Å; N134-E137 PolarHBondContact ND2-OE2 3.24Å; N134-E137 WeakPolarHBondContact O-CB 3.28Å; N134-E137 PolarHBondContact O-N 3.12Å; N134-Q138 WeakPolarHBondContact O-CG 3.29Å; N134-Q138 PolarHBondContact O-N 3.03Å; N134-Q138 PolarHBondContact OD1-NE2 3.29Å
135L90.5Very high88.6Confident6 Ų661.6 Ų61.63%0.03136%0.355CS..Hα-helixtrans-67.6-37.5171.7-70.7167.1000111.4V93 L97 M112 M131 I132 K133 Q138 G139 V140 F142V93-L135 HydrophobicContact CG1-CD1 4.05Å; L97-L135 HydrophobicContact CD1-CD1 3.83Å; L97-L135 HydrophobicContact CD1-CD2 4.29Å; M112-L135 HydrophobicContact CE-CD1 4.17Å; M131-L135 WeakPolarHBondContact O-CB 3.48Å; M131-L135 VanDerWaalsContact O-CG 3.29Å; M131-L135 WeakPolarHBondContact O-CG 3.32Å; M131-L135 PolarHBondContact O-N 3.22Å; I132-L135 PolarHBondContact O-N 3.06Å; K133-L135 PolarHBondContact O-N 3.41Å; L135-Q138 CarbonylContact O-C 3.57Å; L135-Q138 WeakPolarHBondContact O-CB 3.42Å; L135-Q138 PolarHBondContact O-N 3.04Å; L135-G139 PolarHBondContact O-N 3.26Å; L135-V140 HydrophobicContact CB-CB 4.12Å; L135-V140 HydrophobicContact CB-CG2 4.22Å; L135-V140 HydrophobicContact CD2-CG2 4.3Å; L135-V140 VanDerWaalsContact O-CB 3.23Å; L135-V140 WeakPolarHBondContact O-CB 3.38Å; L135-V140 WeakPolarHBondContact O-CG2 3.48Å; L135-V140 PolarHBondContact O-N 3.43Å; L135-F142 HydrophobicContact CB-CE2 3.71Å; L135-F142 HydrophobicContact CB-CZ 3.74Å; L135-F142 HydrophobicContact CD1-CZ 3.89Å; L135-F142 HydrophobicContact CG-CZ 4.48Å
136K91.1Very high87.3Confident117 Ų11764.2 Ų64.251%0.50938%0.383SS..Hα-helixtrans-63.3-40.1171.1-74.7173.8178.6175.10112.1I132 K133 Q138 G139 F142I132-K136 HydrophobicContact CG2-CD 3.89Å; I132-K136 VanDerWaalsContact CG2-CE 3.47Å; I132-K136 HydrophobicContact CG2-CG 4.34Å; I132-K136 WeakPolarHBondContact O-CB 3.46Å; I132-K136 VanDerWaalsContact O-CG 3.32Å; I132-K136 WeakPolarHBondContact O-CG 3.23Å; I132-K136 PolarHBondContact O-N 2.8Å; K133-K136 WeakPolarHBondContact O-CB 3.34Å; K133-K136 PolarHBondContact O-N 2.86Å; K136-Q138 PolarHBondContact O-N 2.72Å; K136-G139 PolarHBondContact O-N 3Å; K136-F142 HydrophobicContact CD-CD2 4.24Å; K136-F142 HydrophobicContact CG-CD2 3.59Å; K136-F142 HydrophobicContact CG-CE2 3.88Å
137E92.6Very high86.1Confident123 Ų12362.5 Ų62.558%0.57537%0.371SS*.Hα-helixtrans-62.6-30.3173-70163.4173.400112.5K133 N134 G139K133-E137 WeakPolarHBondContact CE-OE1 3.48Å; K133-E137 WeakPolarHBondContact O-CG 3.37Å; K133-E137 PolarHBondContact O-N 3.42Å; N134-E137 WeakPolarHBondContact CA-OE2 3.36Å; N134-E137 PolarHBondContact ND2-OE2 3.24Å; N134-E137 WeakPolarHBondContact O-CB 3.28Å; N134-E137 PolarHBondContact O-N 3.12Å; E137-G139 PolarHBondContact O-N 3.27Å
138Q88.3Confident84.5Confident115 Ų11566.9 Ų66.954%0.53739%0.39SS..THydrogen-bonded Turntrans-80.32.6171.4-66.1173.743.600113.7N134 L135 K136N134-Q138 WeakPolarHBondContact O-CG 3.29Å; N134-Q138 PolarHBondContact O-N 3.03Å; N134-Q138 PolarHBondContact OD1-NE2 3.29Å; L135-Q138 CarbonylContact O-C 3.57Å; L135-Q138 WeakPolarHBondContact O-CB 3.42Å; L135-Q138 PolarHBondContact O-N 3.04Å; K136-Q138 PolarHBondContact O-N 2.72Å
139G86.2Confident82.8Confident63 Ų6368.4 Ų68.465%0.64940%0.402SS*.THydrogen-bonded Turntrans88.38.3179.100000115.5L135 K136 E137 T141L135-G139 PolarHBondContact O-N 3.26Å; K136-G139 PolarHBondContact O-N 3Å; E137-G139 PolarHBondContact O-N 3.27Å; G139-T141 PolarHBondContact O-N 2.96Å
140V89.7Confident81.2Confident33 Ų3366.3 Ų66.320%0.239%0.389CS..  trans-74.4115.8176.2-176.20000110.1K109 L135 F142K109-V140 VanDerWaalsContact CE-CG1 3.49Å; L135-V140 HydrophobicContact CB-CB 4.12Å; L135-V140 HydrophobicContact CB-CG2 4.22Å; L135-V140 HydrophobicContact CD2-CG2 4.3Å; L135-V140 VanDerWaalsContact O-CB 3.23Å; L135-V140 WeakPolarHBondContact O-CB 3.38Å; L135-V140 WeakPolarHBondContact O-CG2 3.48Å; L135-V140 PolarHBondContact O-N 3.43Å; V140-F142 HydrophobicContact CB-CE2 4.05Å; V140-F142 HydrophobicContact CG1-CD2 4.29Å; V140-F142 HydrophobicContact CG1-CE2 3.82Å; V140-F142 HydrophobicContact CG1-CZ 4.25Å; V140-F142 VanDerWaalsContact O-CD2 3.28Å; V140-F142 WeakPolarHBondContact O-CD2 3.25Å
141T89.4Confident79.6Confident110 Ų11069.6 Ų69.668%0.67540%0.395SS*.  trans-72.6140.6170.4540000111.2K109 G139K109-T141 WeakPolarHBondContact CD-O 3.47Å; K109-T141 VanDerWaalsContact CE-O 3.26Å; K109-T141 WeakPolarHBondContact CE-O 3.43Å; K109-T141 PolarHBondContact NZ-O 3.38Å; G139-T141 PolarHBondContact O-N 2.96Å
142F88.3Confident78.1Confident30 Ų3075.7 Ų75.713%0.13242%0.423CS..  trans-122.5150.9176.2-75.2-98.2000109.6K109 M112 V113 I132 L135 K136 V140K109-F142 HydrophobicContact CB-CD1 3.8Å; K109-F142 HydrophobicContact CB-CE1 4.14Å; K109-F142 HydrophobicContact CG-CD1 3.93Å; K109-F142 HydrophobicContact CG-CE1 3.95Å; M112-F142 HydrophobicContact SD-CE1 4.32Å; V113-F142 HydrophobicContact CG2-CB 3.97Å; V113-F142 HydrophobicContact CG2-CD1 3.79Å; V113-F142 HydrophobicContact CG2-CG 4.28Å; I132-F142 HydrophobicContact CB-CE1 4.4Å; I132-F142 HydrophobicContact CB-CZ 4.26Å; I132-F142 HydrophobicContact CD1-CD1 4.28Å; I132-F142 HydrophobicContact CD1-CE1 4.13Å; I132-F142 HydrophobicContact CG1-CD1 4.4Å; I132-F142 HydrophobicContact CG1-CE1 3.83Å; I132-F142 HydrophobicContact CG1-CZ 4.09Å; I132-F142 HydrophobicContact CG2-CD1 4.2Å; I132-F142 HydrophobicContact CG2-CD2 4.06Å; I132-F142 HydrophobicContact CG2-CE1 4.14Å; I132-F142 HydrophobicContact CG2-CE2 4.01Å; I132-F142 HydrophobicContact CG2-CG 4.14Å; I132-F142 HydrophobicContact CG2-CZ 4.05Å; L135-F142 HydrophobicContact CB-CE2 3.71Å; L135-F142 HydrophobicContact CB-CZ 3.74Å; L135-F142 HydrophobicContact CD1-CZ 3.89Å; L135-F142 HydrophobicContact CG-CZ 4.48Å; K136-F142 HydrophobicContact CD-CD2 4.24Å; K136-F142 HydrophobicContact CG-CD2 3.59Å; K136-F142 HydrophobicContact CG-CE2 3.88Å; V140-F142 HydrophobicContact CB-CE2 4.05Å; V140-F142 HydrophobicContact CG1-CD2 4.29Å; V140-F142 HydrophobicContact CG1-CE2 3.82Å; V140-F142 HydrophobicContact CG1-CZ 4.25Å; V140-F142 VanDerWaalsContact O-CD2 3.28Å; V140-F142 WeakPolarHBondContact O-CD2 3.25Å
143P85.8Confident76.6Confident35 Ų3575.3 Ų75.323%0.22742%0.421CS..PPolyproline II helixtrans-65.9163.5173.929.8-35.2000111.7A110 V113A110-P143 HydrophobicContact CB-CG 4.13Å; V113-P143 HydrophobicContact CG2-CG 4.35Å
144A76.9Confident75.2Confident69 Ų6975.3 Ų75.357%0.5742%0.421SS*.PPolyproline II helixtrans-73.5146.6170.600000110.9G146 S147A144-G146 PolarHBondContact O-N 3.49Å; A144-S147 WeakPolarHBondContact O-CB 3.16Å; A144-S147 PolarHBondContact O-N 2.92Å; A144-S147 PolarHBondContact O-OG 3.31Å
145I67.9Low73.4Confident115 Ų11571.7 Ų71.759%0.5940%0.402SS*.THydrogen-bonded Turntrans-58.5132.9169.1-60.6165000107.7V113 S147V113-I145 HydrophobicContact CG1-CB 4.33Å; V113-I145 HydrophobicContact CG1-CG1 3.49Å; V113-I145 VanDerWaalsContact CG1-CG1 3.49Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 3.31Å
146G62.5Low71.5Confident60 Ų6074.1 Ų74.162%0.61942%0.42SS*.THydrogen-bonded Turntrans73.312.2-178.100000115.8A144A144-G146 PolarHBondContact O-N 3.49Å
147S66.3Low69.4Low34 Ų3472 Ų7224%0.23842%0.417CS..  trans-76.3157.7169.760.40000112A144 I145 A149 A150 E151A144-S147 WeakPolarHBondContact O-CB 3.16Å; A144-S147 PolarHBondContact O-N 2.92Å; A144-S147 PolarHBondContact O-OG 3.31Å; I145-S147 VanDerWaalsContact C-N 3.3Å; I145-S147 PolarHBondContact O-N 3.31Å; S147-A149 PolarHBondContact O-N 2.98Å; S147-A150 WeakPolarHBondContact O-CA 3.41Å; S147-A150 WeakPolarHBondContact O-CB 3.28Å; S147-A150 PolarHBondContact O-N 3.47Å; S147-E151 PolarHBondContact O-N 3.46Å
148Q57.8Low66.8Low153 Ų15370 Ų7072%0.71542%0.423SS*.Hα-helixtrans-53.1-33-179.7-69-178.8-14.600113.7A150 E151 Q152Q148-A150 VanDerWaalsContact C-N 3.31Å; Q148-A150 PolarHBondContact O-N 2.99Å; Q148-E151 PolarHBondContact O-N 3.42Å; Q148-Q152 WeakPolarHBondContact O-CB 3.33Å; Q148-Q152 WeakPolarHBondContact O-CG 3.5Å; Q148-Q152 PolarHBondContact O-N 3.05Å
149A56.8Low64.4Low32 Ų3272.7 Ų72.726%0.26444%0.44SS..Hα-helixtrans-69-26.3175.500000113.5A110 S147 A153A110-A149 WeakPolarHBondContact CB-O 3.45Å; S147-A149 PolarHBondContact O-N 2.98Å; A149-A153 PolarHBondContact O-N 3.41Å
150A56.3Low62.1Low8 Ų875.1 Ų75.17%0.06644%0.442CS..Hα-helixtrans-83.4-36171.700000112S147 Q148 Q152 A153 K154S147-A150 WeakPolarHBondContact O-CA 3.41Å; S147-A150 WeakPolarHBondContact O-CB 3.28Å; S147-A150 PolarHBondContact O-N 3.47Å; Q148-A150 VanDerWaalsContact C-N 3.31Å; Q148-A150 PolarHBondContact O-N 2.99Å; A150-Q152 VanDerWaalsContact C-N 3.33Å; A150-Q152 PolarHBondContact O-N 3.4Å; A150-A153 WeakPolarHBondContact O-CA 3.15Å; A150-A153 WeakPolarHBondContact O-CB 3.15Å; A150-A153 PolarHBondContact O-N 2.96Å; A150-K154 PolarHBondContact O-N 2.85Å
151E59.4Low59.8Low122 Ų12278.3 Ų78.357%0.5747%0.471SS*.Hα-helixtrans-67.6-34.1172.1-65.5-172.611000112.5S147 Q148 A153S147-E151 PolarHBondContact O-N 3.46Å; Q148-E151 PolarHBondContact O-N 3.42Å; E151-A153 PolarHBondContact O-N 3.08Å
152Q58.4Low57.5Low145 Ų14581.5 Ų81.568%0.67848%0.476SS*.THydrogen-bonded Turntrans-76.6-4166.6-67.6-1783.700113.3K107 Q148 A150K107-Q152 PolarHBondContact NZ-O 2.8Å; Q148-Q152 WeakPolarHBondContact O-CB 3.33Å; Q148-Q152 WeakPolarHBondContact O-CG 3.5Å; Q148-Q152 PolarHBondContact O-N 3.05Å; A150-Q152 VanDerWaalsContact C-N 3.33Å; A150-Q152 PolarHBondContact O-N 3.4Å
153A58.9Low55Low0 Ų085.9 Ų85.90%050%0.501CS..THydrogen-bonded Turntrans-77.9-43.2171.500000111.1K107 A110 L111 A149 A150 E151 A155K107-A153 WeakPolarHBondContact CE-O 3.37Å; K107-A153 PolarHBondContact NZ-O 3.39Å; A110-A153 HydrophobicContact CB-CB 3.79Å; L111-A153 HydrophobicContact CD2-CB 4.03Å; L111-A153 HydrophobicContact CG-CB 4.17Å; A149-A153 PolarHBondContact O-N 3.41Å; A150-A153 WeakPolarHBondContact O-CA 3.15Å; A150-A153 WeakPolarHBondContact O-CB 3.15Å; A150-A153 PolarHBondContact O-N 2.96Å; E151-A153 PolarHBondContact O-N 3.08Å; A153-A155 PolarHBondContact O-N 3.48Å
154K62.9Low52.9Low133 Ų13390 Ų9058%0.57853%0.527SS*.  trans-43124.3-179.6-78.1179.3174.6-178.90113.1E114 A150E114-K154 WeakPolarHBondContact OE1-CE 3.16Å; E114-K154 WeakPolarHBondContact OE1-CG 3.38Å; A150-K154 PolarHBondContact O-N 2.85Å
155A55.8Low51.3Low2 Ų288.5 Ų88.52%0.01752%0.519CS..  trans-118.652.7-171.800000111.8W26 T67 A71 A153W26-A155 VanDerWaalsContact CH2-C 3.5Å; W26-A155 HydrophobicContact CH2-CB 4.07Å; W26-A155 WeakPolarHBondContact CH2-O 3.41Å; W26-A155 WeakPolarHBondContact CZ3-O 3.16Å; T67-A155 HydrophobicContact CG2-CB 4.15Å; T67-A155 VanDerWaalsContact O-CB 3.29Å; T67-A155 WeakPolarHBondContact O-CB 3.25Å; A71-A155 WeakPolarHBondContact CA-O 3.5Å; A71-A155 HydrophobicContact CB-CB 4.23Å; A153-A155 PolarHBondContact O-N 3.48Å
156S51.2Low50.3Low58 Ų5887.3 Ų87.341%0.40652%0.517SS..  trans-139125.1178.5-69.40000111A158S156-A158 VanDerWaalsContact C-N 3.27Å
157P45.9Very low49.6Very low71 Ų7189.5 Ų89.546%0.46152%0.518SS..  trans-70.6-23.9169.2-19.533.3000113.2W26 L159W26-P157 HydrophobicContact CB-CG 4.37Å; W26-P157 HydrophobicContact CD2-CG 3.62Å; W26-P157 HydrophobicContact CE3-CG 3.62Å; W26-P157 HydrophobicContact CG-CG 3.95Å; W26-P157 HydrophobicContact CZ3-CG 4.21Å; P157-L159 PolarHBondContact O-N 3.47Å; P157-L159 VanDerWaalsContact O-N 3.08Å
158A38.8Very low48.8Very low83 Ų8390.7 Ų90.769%0.68653%0.53SS*.THydrogen-bonded Turntrans-88.866.3-161.700000114.7S156S156-A158 VanDerWaalsContact C-N 3.27Å
159L36.8Very low48.4Very low170 Ų17088.4 Ų88.489%0.8952%0.523SS*.THydrogen-bonded Turntrans-149.36.8145.7-91.5-162000114.3P157 A161P157-L159 PolarHBondContact O-N 3.47Å; P157-L159 VanDerWaalsContact O-N 3.08Å; L159-A161 VanDerWaalsContact C-N 3.25Å; L159-A161 PolarHBondContact O-N 2.98Å
160V38.2Very low48.5Very low115 Ų11593.9 Ų93.970%0.69754%0.541SS*.  trans-86.967174.4-168.50000110.7
161A42.1Very low48.8Very low99 Ų99100.4 Ų100.482%0.81857%0.568SS**  trans-110.340.6170.700000111.5L159L159-A161 VanDerWaalsContact C-N 3.25Å; L159-A161 PolarHBondContact O-N 2.98Å
162K41.7Very low48.8Very low177 Ų177101 Ų10177%0.7757%0.57SS**SBendtrans-145.9115.4167-116.2170.1-178.1174.20110.9
163D35.4Very low49.3Very low123 Ų123100.6 Ų100.666%0.65857%0.569SS**  trans49.3126.2174.8-77.1-80.7000120.9G165D163-G165 PolarHBondContact O-N 3.31Å; D163-G165 VanDerWaalsContact O-N 3.09Å
164P40.6Very low50Low120 Ų120107 Ų10778%0.77960%0.599SS**THydrogen-bonded Turntrans-61.8-14.1173.5-24.334.7000115.9T166P164-T166 VanDerWaalsContact C-N 3.34Å; P164-T166 PolarHBondContact O-N 2.91Å
165G44.2Very low50.6Low39 Ų39105 Ų10540%0.40259%0.594SS.*Hα-helixtrans-67.5-28.9-173.700000114.7D163 V167 A168 N169D163-G165 PolarHBondContact O-N 3.31Å; D163-G165 VanDerWaalsContact O-N 3.09Å; G165-V167 PolarHBondContact O-N 3Å; G165-A168 PolarHBondContact O-N 3.21Å; G165-N169 PolarHBondContact O-N 3.49Å; G165-N169 PolarHBondContact O-ND2 3.05Å
166T46.3Very low51.5Low90 Ų90110.1 Ų110.155%0.55262%0.621SS**Hα-helixtrans-70.6-33.1-168.8-38.60000113.1P164 K170P164-T166 VanDerWaalsContact C-N 3.34Å; P164-T166 PolarHBondContact O-N 2.91Å; T166-K170 PolarHBondContact O-N 3.12Å; T166-K170 VanDerWaalsContact O-N 3.14Å
167V47.3Very low52.9Low105 Ų105110.1 Ų110.164%0.63662%0.624SS**Hα-helixtrans-74.9-31.1-177.5-174.60000112G165G165-V167 PolarHBondContact O-N 3Å
168A49.6Very low54.6Low60 Ų60112.4 Ų112.450%0.49663%0.627SS.*Hα-helixtrans-67.6-53.6172.900000110.7G165 K170 K171 E172G165-A168 PolarHBondContact O-N 3.21Å; A168-K170 PolarHBondContact O-N 3.37Å; A168-K171 PolarHBondContact O-N 3.19Å; A168-E172 PolarHBondContact O-N 2.96Å
169N49.7Very low56.3Low104 Ų104110.9 Ų110.956%0.55661%0.614SS**Hα-helixtrans-55.9-48.7-179-78.3-89.8000112.3G165 K171 E172 E173G165-N169 PolarHBondContact O-N 3.49Å; G165-N169 PolarHBondContact O-ND2 3.05Å; N169-K171 VanDerWaalsContact C-N 3.25Å; N169-K171 PolarHBondContact O-N 3.01Å; N169-E172 PolarHBondContact O-N 3.43Å; N169-E172 VanDerWaalsContact O-N 3.15Å; N169-E173 WeakPolarHBondContact O-CB 3.5Å; N169-E173 PolarHBondContact O-N 3.11Å
170K60.3Low58.2Low148 Ų148107.4 Ų107.464%0.64360%0.595SS**Hα-helixtrans-63.5-29.7-177.7-168.6164.2-173.4167.90113.5T166 A168 E174T166-K170 PolarHBondContact O-N 3.12Å; T166-K170 VanDerWaalsContact O-N 3.14Å; A168-K170 PolarHBondContact O-N 3.37Å; K170-E174 PolarHBondContact O-N 3.35Å
171K61.1Low59.9Low145 Ų145106.9 Ų106.963%0.6359%0.585SS**Hα-helixtrans-79.5-37174.9-177.4172.5179.1176.70112.4A168 N169 E173 E174 D175A168-K171 PolarHBondContact O-N 3.19Å; N169-K171 VanDerWaalsContact C-N 3.25Å; N169-K171 PolarHBondContact O-N 3.01Å; K171-E173 VanDerWaalsContact C-N 3.33Å; K171-E174 PolarHBondContact O-N 2.99Å; K171-D175 PolarHBondContact O-N 3.39Å; K171-D175 VanDerWaalsContact O-N 3.17Å
172E60.8Low61.4Low133 Ų133107.6 Ų107.662%0.62158%0.575SS**Hα-helixtrans-63.8-40.8174.4-169.6164.6-177.200110.7A168 N169 D175 L176A168-E172 PolarHBondContact O-N 2.96Å; N169-E172 PolarHBondContact O-N 3.43Å; N169-E172 VanDerWaalsContact O-N 3.15Å; E172-D175 PolarHBondContact O-N 2.99Å; E172-L176 WeakPolarHBondContact O-CB 3.39Å; E172-L176 PolarHBondContact O-N 3.32Å
173E68.3Low62.7Low138 Ų138102.6 Ų102.665%0.64556%0.562SS**Hα-helixtrans-61.8-43174-166.4-176.3154.200112.8N169 K171 L176 A177N169-E173 WeakPolarHBondContact O-CB 3.5Å; N169-E173 PolarHBondContact O-N 3.11Å; K171-E173 VanDerWaalsContact C-N 3.33Å; E173-L176 PolarHBondContact O-N 2.98Å; E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.47Å
174E74.1Confident64.3Low135 Ų135101.7 Ų101.763%0.63156%0.557SS**Hα-helixtrans-63.1-45.1175.1-82.4-166.4127.700112.9K170 K171 L176 K178K170-E174 PolarHBondContact O-N 3.35Å; K171-E174 PolarHBondContact O-N 2.99Å; E174-L176 VanDerWaalsContact C-N 3.32Å; E174-K178 WeakPolarHBondContact O-CB 3.33Å; E174-K178 PolarHBondContact O-N 3.33Å; E174-K178 VanDerWaalsContact O-N 3.07Å
175D74Confident65.5Low89 Ų89101.6 Ų101.648%0.47654%0.544SS..Hα-helixtrans-70.3-29.3176.4-97.1-22.3000111.7K171 E172 K178 A179K171-D175 PolarHBondContact O-N 3.39Å; K171-D175 VanDerWaalsContact O-N 3.17Å; E172-D175 PolarHBondContact O-N 2.99Å; D175-K178 IonicContact OD1-NZ 3.93Å; D175-K178 PolarHBondContact OD1-NZ 3.43Å; D175-A179 WeakPolarHBondContact O-CB 3.49Å; D175-A179 PolarHBondContact O-N 2.99Å
176L75.1Confident66.5Low111 Ų111105.7 Ų105.758%0.58155%0.553SS**Hα-helixtrans-65.5-50.7172.6-144.879.5000111.5E172 E173 E174 K178 A179 I180E172-L176 WeakPolarHBondContact O-CB 3.39Å; E172-L176 PolarHBondContact O-N 3.32Å; E173-L176 PolarHBondContact O-N 2.98Å; E174-L176 VanDerWaalsContact C-N 3.32Å; L176-K178 PolarHBondContact O-N 3.45Å; L176-A179 PolarHBondContact O-N 2.95Å; L176-I180 VanDerWaalsContact O-CG1 3.32Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 3.09Å
177A80.5Confident66.9Low57 Ų57108 Ų10847%0.47156%0.557SS.*Hα-helixtrans-59.1-38.6177.700000111.8E173 I180 E181E173-A177 WeakPolarHBondContact O-CB 3.49Å; E173-A177 PolarHBondContact O-N 3.47Å; A177-I180 PolarHBondContact O-N 2.89Å; A177-E181 PolarHBondContact O-N 3.45Å
178K82.6Confident67.3Low119 Ų119112.9 Ų112.952%0.51756%0.564SS.*Hα-helixtrans-71.1-38177.5-174178.2173.6-165.70112.9E174 D175 L176 I180 E181 L182E174-K178 WeakPolarHBondContact O-CB 3.33Å; E174-K178 PolarHBondContact O-N 3.33Å; E174-K178 VanDerWaalsContact O-N 3.07Å; D175-K178 IonicContact OD1-NZ 3.93Å; D175-K178 PolarHBondContact OD1-NZ 3.43Å; L176-K178 PolarHBondContact O-N 3.45Å; K178-I180 VanDerWaalsContact C-N 3.33Å; K178-E181 PolarHBondContact O-N 3.38Å; K178-L182 HydrophobicContact CG-CD1 4.38Å; K178-L182 WeakPolarHBondContact O-CB 3.23Å; K178-L182 WeakPolarHBondContact O-CD1 3.26Å; K178-L182 PolarHBondContact O-N 2.96Å
179A73.9Confident67.3Low51 Ų51117.4 Ų117.442%0.42158%0.575SS.*Hα-helixtrans-64.9-37.3171.500000112.2D175 L176 S183D175-A179 WeakPolarHBondContact O-CB 3.49Å; D175-A179 PolarHBondContact O-N 2.99Å; L176-A179 PolarHBondContact O-N 2.95Å; A179-S183 WeakPolarHBondContact O-CB 3.34Å; A179-S183 PolarHBondContact O-N 3.18Å; A179-S183 PolarHBondContact O-OG 3.24Å
180I76.4Confident67.2Low97 Ų97119.2 Ų119.250%0.49758%0.58SS.*Hα-helixtrans-64.7-45.2172.2-68.2163.4000110.7L176 A177 K178 L182 S183 L184L176-I180 VanDerWaalsContact O-CG1 3.32Å; L176-I180 WeakPolarHBondContact O-CG1 3.28Å; L176-I180 PolarHBondContact O-N 3.09Å; A177-I180 PolarHBondContact O-N 2.89Å; K178-I180 VanDerWaalsContact C-N 3.33Å; I180-L182 PolarHBondContact O-N 3.02Å; I180-S183 PolarHBondContact O-N 3.48Å; I180-L184 HydrophobicContact CG2-CD1 4.04Å; I180-L184 PolarHBondContact O-N 3.04Å
181E74.6Confident66.1Low105 Ų105116.7 Ų116.749%0.49158%0.581SS.*Hα-helixtrans-61-45.8176.7-158.5-141133.800111.6A177 K178 S183 L184 K185A177-E181 PolarHBondContact O-N 3.45Å; K178-E181 PolarHBondContact O-N 3.38Å; E181-S183 VanDerWaalsContact C-N 3.34Å; E181-S183 PolarHBondContact O-N 3.12Å; E181-L184 PolarHBondContact O-N 3.26Å; E181-K185 WeakPolarHBondContact O-CB 3.36Å; E181-K185 PolarHBondContact O-N 3.41Å; E181-K185 IonicContact OE1-NZ 3.2Å; E181-K185 PolarHBondContact OE1-NZ 3.05Å
182L72.4Confident65.1Low113 Ų113115.4 Ų115.459%0.59259%0.586SS**Hα-helixtrans-58.5-43.6176.1-96.7136000112K178 I180 K185 E186K178-L182 HydrophobicContact CG-CD1 4.38Å; K178-L182 WeakPolarHBondContact O-CB 3.23Å; K178-L182 WeakPolarHBondContact O-CD1 3.26Å; K178-L182 PolarHBondContact O-N 2.96Å; I180-L182 PolarHBondContact O-N 3.02Å; L182-K185 WeakPolarHBondContact O-CB 3.32Å; L182-K185 PolarHBondContact O-N 2.87Å; L182-E186 PolarHBondContact O-N 3.4Å
183S69.4Low64.1Low72 Ų72114.7 Ų114.750%0.50359%0.59SS.*Hα-helixtrans-64.9-43.3178.1-57.10000112.1A179 I180 E181 K185 E186 Q187A179-S183 WeakPolarHBondContact O-CB 3.34Å; A179-S183 PolarHBondContact O-N 3.18Å; A179-S183 PolarHBondContact O-OG 3.24Å; I180-S183 PolarHBondContact O-N 3.48Å; E181-S183 VanDerWaalsContact C-N 3.34Å; E181-S183 PolarHBondContact O-N 3.12Å; S183-K185 VanDerWaalsContact C-N 3.29Å; S183-K185 PolarHBondContact O-N 2.97Å; S183-E186 PolarHBondContact O-N 3.4Å; S183-Q187 WeakPolarHBondContact O-CB 3.5Å; S183-Q187 PolarHBondContact O-N 2.86Å
184L69.1Low62.5Low105 Ų105116.3 Ų116.355%0.5560%0.603SS.*Hα-helixtrans-61.9-35.3172.7-86.6160.3000112.4I180 E181 R188I180-L184 HydrophobicContact CG2-CD1 4.04Å; I180-L184 PolarHBondContact O-N 3.04Å; E181-L184 PolarHBondContact O-N 3.26Å; L184-R188 WeakPolarHBondContact O-CB 3.23Å; L184-R188 PolarHBondContact O-N 2.96Å
185K65.9Low60.6Low118 Ų118115.3 Ų115.351%0.51361%0.611SS.*Hα-helixtrans-69.7-39.8177.7-135.8164.7-157.4153.70112E181 L182 S183E181-K185 WeakPolarHBondContact O-CB 3.36Å; E181-K185 PolarHBondContact O-N 3.41Å; E181-K185 IonicContact OE1-NZ 3.2Å; E181-K185 PolarHBondContact OE1-NZ 3.05Å; L182-K185 WeakPolarHBondContact O-CB 3.32Å; L182-K185 PolarHBondContact O-N 2.87Å; S183-K185 VanDerWaalsContact C-N 3.29Å; S183-K185 PolarHBondContact O-N 2.97Å
186E65.1Low58.8Low124 Ų124117.1 Ų117.158%0.57963%0.625SS**Hα-helixtrans-69-45.5175.1-175171.2-174.100111.6L182 S183 R188 Q189L182-E186 PolarHBondContact O-N 3.4Å; S183-E186 PolarHBondContact O-N 3.4Å; E186-R188 PolarHBondContact O-N 3.21Å; E186-Q189 PolarHBondContact O-N 3.07Å
187Q54.2Low56.7Low139 Ų139119.1 Ų119.165%0.6564%0.636SS**Hα-helixtrans-57.9-33.3176.3-165.1176.224.500112.1S183 Q189S183-Q187 WeakPolarHBondContact O-CB 3.5Å; S183-Q187 PolarHBondContact O-N 2.86Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.19Å
188R56Low54.6Low207 Ų207127 Ų12778%0.78166%0.655SS**THydrogen-bonded Turntrans-75.3-12.2175.8-157.7173.9-168.7165.15.2114.6L184 E186 S191L184-R188 WeakPolarHBondContact O-CB 3.23Å; L184-R188 PolarHBondContact O-N 2.96Å; E186-R188 PolarHBondContact O-N 3.21Å; R188-S191 PolarHBondContact O-OG 2.78Å
189Q50.2Low52.4Low155 Ų155126.2 Ų126.272%0.72466%0.662SS**THydrogen-bonded Turntrans-89.7-24.6175.5-70-174.71500113.1E186 Q187 S191E186-Q189 PolarHBondContact O-N 3.07Å; Q187-Q189 VanDerWaalsContact C-N 3.32Å; Q187-Q189 PolarHBondContact O-N 3.19Å; Q189-S191 VanDerWaalsContact C-N 3.32Å; Q189-S191 PolarHBondContact O-N 2.72Å
190Q46.6Very low50.5Low142 Ų142129.6 Ų129.666%0.66468%0.682SS**SBendtrans-77.1-15.6179.3-61.4-172.58.400113.5T192Q190-T192 VanDerWaalsContact C-N 3.27Å; Q190-T192 PolarHBondContact O-N 3.03Å; Q190-T192 VanDerWaalsContact O-N 3.12Å
191S38.9Very low48.3Very low95 Ų95131.3 Ų131.366%0.66470%0.698SS**THydrogen-bonded Turntrans-81.519.8-171.968.10000116.2R188 Q189R188-S191 PolarHBondContact O-OG 2.78Å; Q189-S191 VanDerWaalsContact C-N 3.32Å; Q189-S191 PolarHBondContact O-N 2.72Å
192T38.5Very low46.4Very low119 Ų119131.4 Ų131.473%0.7371%0.71SS**THydrogen-bonded Turntrans-116.3-1.6-173-50.20000113.8Q190Q190-T192 VanDerWaalsContact C-N 3.27Å; Q190-T192 PolarHBondContact O-N 3.03Å; Q190-T192 VanDerWaalsContact O-N 3.12Å
193T39.8Very low44.7Very low117 Ų117133.1 Ų133.172%0.71872%0.72SS**SBendtrans-136.2141.1178.251.40000113.1
194L35.1Very low42.8Very low173 Ų173138 Ų13891%0.90674%0.739SS**  trans78.865.8175.5-50-175.9000117
195S34.8Very low40.9Very low114 Ų114140 Ų14080%0.79775%0.75SS**  trans-71.1157.3150.8-59.90000111.6
196T35.1Very low39.2Very low127 Ų127141.2 Ų141.278%0.77977%0.767SS**  trans82.399.5165.9-18.90000116.9
197L31.6Very low37.7Very low153 Ų153140.2 Ų140.280%0.80177%0.766SS**  -178.1148.7103.6-93.3169000112.3
198Y35.5Very low36.7Very low222 Ų222142.9 Ų142.987%0.87178%0.778SS**  trans74.4154.7174.1-96.2-114.5000118.7
199P38.4Very low35.5Very low102 Ų102138.4 Ų138.466%0.66277%0.766SS**  trans-109.4170.6-146.141.8-37.7000115.6T201P199-T201 PolarHBondContact O-N 3.31Å
200S33.4Very low34.9Very low123 Ų123139.9 Ų139.986%0.8677%0.772SS**  trans-57.6124.7175.1-46.10000113.8
201T29.6Very low34.8Very low133 Ų133140.5 Ų140.582%0.81678%0.775SS**  trans-113.9121.1156.952.30000108.8P199P199-T201 PolarHBondContact O-N 3.31Å
202S35.8Very low35.8Very low107 Ų107137.5 Ų137.575%0.74876%0.76SS**  trans-63.8147.9176.7-50.30000111.8
203N35.1Very low37.7Very low149 Ų149137.6 Ų137.680%0.79775%0.747SS**  trans59.3105.2169.7-60.4-9.3000117
204L29.8Very low39.9Very low175 Ų175137.4 Ų137.492%0.91674%0.736SS**  trans-156.1128.5133-107.9160.7000109
205L29.9Very low42.5Very low147 Ų147129.2 Ų129.277%0.7769%0.693SS**  trans-85.8130-175.9-79.664.5000110.8
206T30.2Very low45Very low143 Ų143126 Ų12688%0.87766%0.663SS**  trans-137.271.4154.553.10000107.1
207N32.8Very low47.6Very low102 Ų102120 Ų12055%0.54563%0.627SS.*  59.86981.2-163.730000113.5Q209N207-Q209 PolarHBondContact ND2-OE1 2.88Å; N207-Q209 VanDerWaalsContact OD1-CG 3.28Å; N207-Q209 WeakPolarHBondContact OD1-CG 3.47Å; N207-Q209 PolarHBondContact OD1-N 3.12Å; N207-Q209 PolarHBondContact OD1-OE1 3.44Å
208H32.7Very low50.3Low195 Ų195116.3 Ų116.390%0.90361%0.607SS**  trans-9197.9134.3-94.6-77.4000107.7H210H208-H210 PolarHBondContact O-N 2.67Å
209Q31.4Very low52.6Low114 Ų114111.5 Ų111.553%0.53359%0.588SS.*  trans-57.5104.5161-99.6155.5-75.400107.8N207 E211N207-Q209 PolarHBondContact ND2-OE1 2.88Å; N207-Q209 VanDerWaalsContact OD1-CG 3.28Å; N207-Q209 WeakPolarHBondContact OD1-CG 3.47Å; N207-Q209 PolarHBondContact OD1-N 3.12Å; N207-Q209 PolarHBondContact OD1-OE1 3.44Å; Q209-E211 HydrophobicContact CB-CG 3.98Å; Q209-E211 HydrophobicContact CG-CG 3.89Å; Q209-E211 PolarHBondContact NE2-OE1 3.03Å
210H37.8Very low55Low185 Ų185111 Ų11186%0.85658%0.58SS**  -69.4114.4116.4-89.2-112.7000105.5H208 G212H208-H210 PolarHBondContact O-N 2.67Å; H210-G212 VanDerWaalsContact C-N 3.27Å; H210-G212 PolarHBondContact O-N 3.38Å
211E45.5Very low57.7Low155 Ų155106.6 Ų106.672%0.72455%0.545SS*.  trans-64.499.8161.5-63.4-165.7111.600105.6Q209 R213Q209-E211 HydrophobicContact CB-CG 3.98Å; Q209-E211 HydrophobicContact CG-CG 3.89Å; Q209-E211 PolarHBondContact NE2-OE1 3.03Å; E211-R213 PolarHBondContact O-N 3.4Å; E211-R213 VanDerWaalsContact O-N 3.13Å
212G58.3Low60.5Low33 Ų33107.2 Ų107.234%0.3454%0.539SS..  trans-49.9122.4-168.900000110.1H210 K214H210-G212 VanDerWaalsContact C-N 3.27Å; H210-G212 PolarHBondContact O-N 3.38Å; G212-K214 PolarHBondContact O-N 3.08Å
213R78.7Confident62.9Low121 Ų121103.8 Ų103.846%0.45752%0.517SS..  trans-59.9105.3-169.4-172.1-169.9-64.1144.28.3107.8E211 V215 V239 D242E211-R213 PolarHBondContact O-N 3.4Å; E211-R213 VanDerWaalsContact O-N 3.13Å; R213-V215 HydrophobicContact CG-CG1 4.13Å; R213-V239 HydrophobicContact CB-CB 4.31Å; R213-V239 WeakPolarHBondContact O-CB 3.39Å; R213-V239 VanDerWaalsContact O-CG2 3.31Å; R213-V239 WeakPolarHBondContact O-CG2 3.5Å; R213-V239 PolarHBondContact O-N 2.86Å; R213-D242 IonicContact CZ-OD2 2.65Å; R213-D242 IonicContact NH1-OD2 2.72Å; R213-D242 PolarHBondContact NH1-OD2 2.88Å; R213-D242 IonicContact NH2-OD2 2.68Å; R213-D242 PolarHBondContact NH2-OD2 3.26Å
214K86.6Confident65Low112 Ų112101.3 Ų101.349%0.48752%0.517SS..EExtended strand (participates in β ladder)trans-83.2126.4177.5-80.7175.9-176.6-179.80108.3G212 V236 I237 L268G212-K214 PolarHBondContact O-N 3.08Å; K214-V236 HydrophobicContact CB-CG1 3.85Å; K214-V236 HydrophobicContact CD-CG1 4.23Å; K214-V236 HydrophobicContact CG-CG1 4.07Å; K214-I237 WeakPolarHBondContact CA-O 3.29Å; K214-L268 HydrophobicContact CB-CD1 3.87Å; K214-L268 HydrophobicContact CB-CD2 4.03Å
215V88.5Confident67.5Low1 Ų198.4 Ų98.41%0.00650%0.499CS..EExtended strand (participates in β ladder)trans-124.4143.5-177.9-60.70000108.5R213 V236 I237 V239 W248 F259 V264 T265R213-V215 HydrophobicContact CG-CG1 4.13Å; V215-V236 CarbonylContact O-C 3.58Å; V215-V236 WeakPolarHBondContact O-CA 3.36Å; V215-I237 HydrophobicContact CG2-CB 3.99Å; V215-I237 PolarHBondContact N-O 3.03Å; V215-I237 PolarHBondContact O-N 3.37Å; V215-V239 HydrophobicContact CB-CG2 4.49Å; V215-V239 HydrophobicContact CG1-CG2 3.89Å; V215-V239 HydrophobicContact CG2-CG2 3.75Å; V215-W248 HydrophobicContact CG1-CZ3 4.39Å; V215-F259 HydrophobicContact CG2-CZ 4.41Å; V215-V264 HydrophobicContact CB-CB 3.91Å; V215-V264 HydrophobicContact CB-CG2 3.97Å; V215-V264 HydrophobicContact CG1-CG2 4.46Å; V215-V264 HydrophobicContact CG2-CB 3.76Å; V215-V264 HydrophobicContact CG2-CG1 3.91Å; V215-V264 HydrophobicContact CG2-CG2 3.8Å; V215-T265 CarbonylContact C-O 3.43Å; V215-T265 WeakPolarHBondContact CA-O 3.43Å; V215-T265 WeakPolarHBondContact CB-O 3.11Å
216R88.6Confident69.8Low47 Ų47100 Ų10018%0.17751%0.508CS..EExtended strand (participates in β ladder)trans-97.5127.8177.2178.6159.9-67.7138.722109.6I218 G234 E235 V264 T265 L268 A270R216-I218 PolarHBondContact O-N 3.42Å; R216-G234 PolarHBondContact NE-O 3.38Å; R216-E235 CarbonylContact C-O 3.57Å; R216-E235 WeakPolarHBondContact CA-O 3.45Å; R216-V264 CarbonylContact O-C 3.37Å; R216-V264 VanDerWaalsContact O-CA 3.24Å; R216-V264 WeakPolarHBondContact O-CA 3.5Å; R216-T265 HydrophobicContact CB-CG2 4.21Å; R216-T265 PolarHBondContact N-O 3.4Å; R216-T265 PolarHBondContact O-N 3.4Å; R216-L268 VanDerWaalsContact CZ-O 3.23Å; R216-L268 VanDerWaalsContact NH1-C 3.3Å; R216-L268 PolarHBondContact NH1-O 3.31Å; R216-L268 PolarHBondContact NH2-O 3.35Å; R216-A270 WeakPolarHBondContact CD-O 3.38Å; R216-A270 PolarHBondContact NH1-O 3.27Å
217A89.5Confident72.5Confident2 Ų297.2 Ų97.22%0.01749%0.488CS..EExtended strand (participates in β ladder)trans-58.5125.1169.100000110.3F231 K232 G234 E235 I237 F263A217-F231 HydrophobicContact CB-CD2 3.38Å; A217-F231 HydrophobicContact CB-CE2 3.51Å; A217-F231 HydrophobicContact CB-CG 4.41Å; A217-K232 WeakPolarHBondContact CB-O 3.4Å; A217-G234 PolarHBondContact O-N 2.95Å; A217-E235 PolarHBondContact N-O 2.96Å; A217-I237 HydrophobicContact CB-CD1 4.32Å; A217-F263 CarbonylContact C-O 3.49Å; A217-F263 WeakPolarHBondContact CA-O 3.37Å
218I88.3Confident75.2Confident75 Ų7594 Ų9439%0.38547%0.47SS..SBendtrans-93.7-23.8174.355.1167000112.1R216 F263 T265R216-I218 PolarHBondContact O-N 3.42Å; I218-F263 WeakPolarHBondContact CG1-O 3.49Å; I218-F263 PolarHBondContact N-O 3.06Å; I218-T265 HydrophobicContact CG2-CG2 3.67Å
219Y84.3Confident77.9Confident120 Ų12085 Ų8547%0.47143%0.428SS..SBendtrans-127.8160.4172.4-52.2-58.9000109.6F231 F263Y219-F231 WeakPolarHBondContact O-CE2 3.4Å; Y219-F263 HydrophobicContact CD2-CD1 4.32Å; Y219-F263 HydrophobicContact CD2-CG 4.38Å
220D88.4Confident80.6Confident93 Ų9381.4 Ų81.450%0.49741%0.414SS..  trans-83.1142.5168.452-48000113K232D220-K232 HydrophobicContact CB-CB 4.32Å; D220-K232 HydrophobicContact CB-CD 3.3Å; D220-K232 HydrophobicContact CB-CG 4.43Å; D220-K232 IonicContact OD2-NZ 2.63Å; D220-K232 PolarHBondContact OD2-NZ 3.36Å
221F88.8Confident83.1Confident29 Ų2972.7 Ų72.713%0.12737%0.374CS..BIsolated β-bridgetrans-133.6136.4-175.9-177.9-107.1000109.2E228 L229 T230 F231 W247 F259 P260 F263F221-E228 HydrophobicContact CE1-CB 4.33Å; F221-L229 WeakPolarHBondContact CD1-O 3.4Å; F221-T230 WeakPolarHBondContact O-CA 3.09Å; F221-F231 HydrophobicContact CB-CD1 4.47Å; F221-F231 HydrophobicContact CB-CD2 4.22Å; F221-F231 HydrophobicContact CB-CE1 3.99Å; F221-F231 HydrophobicContact CB-CE2 3.7Å; F221-F231 HydrophobicContact CB-CZ 3.58Å; F221-F231 AromaticContact CD1-CE1 3.97Å; F221-F231 HydrophobicContact CD1-CE1 3.97Å; F221-F231 HydrophobicContact CD1-CZ 4.28Å; F221-F231 HydrophobicContact CG-CE1 4.36Å; F221-F231 HydrophobicContact CG-CZ 4.21Å; F221-F231 PolarHBondContact N-O 3.04Å; F221-F231 PolarHBondContact O-N 3.26Å; F221-W247 HydrophobicContact CZ-CH2 4.27Å; F221-W247 HydrophobicContact CZ-CZ3 4.21Å; F221-F259 HydrophobicContact CD1-CB 4.3Å; F221-F259 HydrophobicContact CE1-CB 4.26Å; F221-P260 HydrophobicContact CD2-CG 3.99Å; F221-P260 HydrophobicContact CE2-CG 3.82Å; F221-P260 HydrophobicContact CZ-CG 4.26Å; F221-F263 HydrophobicContact CB-CD1 3.97Å; F221-F263 HydrophobicContact CB-CE1 4.4Å; F221-F263 HydrophobicContact CD2-CD1 4.22Å; F221-F263 HydrophobicContact CD2-CE1 4.15Å; F221-F263 HydrophobicContact CG-CD1 4.47Å
222E88.7Confident85.1Confident147 Ų14770 Ų7069%0.68736%0.359SS*.  trans-127121.9-176.2-171.3167.2159.700108.3A224E222-A224 PolarHBondContact O-N 3.44Å
223A87.1Confident86.5Confident35 Ų3570.8 Ų70.829%0.28936%0.363SS..  trans-59.8125-177.800000111.3E228 T230A223-E228 HydrophobicContact CB-CB 3.66Å; A223-T230 WeakPolarHBondContact CB-OG1 3.38Å; A223-T230 PolarHBondContact N-OG1 2.94Å
224A78.2Confident86.7Confident96 Ų9666.4 Ų66.479%0.79336%0.356SS*.SBendtrans-89.5-25.8168.900000111.8E222 E228E222-A224 PolarHBondContact O-N 3.44Å; A224-E228 WeakPolarHBondContact CA-OE2 3.42Å; A224-E228 PolarHBondContact N-OE2 3.34Å
225E82.7Confident86.7Confident114 Ų11463 Ų6353%0.53334%0.341SS..SBendtrans-121.1151.5177.5-61.3-171.5168.700112.9N227 E228E225-N227 WeakPolarHBondContact CB-ND2 3.36Å; E225-N227 PolarHBondContact O-N 2.95Å; E225-N227 PolarHBondContact OE2-ND2 2.98Å; E225-E228 HydrophobicContact CB-CG 4.25Å; E225-E228 PolarHBondContact N-OE2 3.5Å; E225-E228 PolarHBondContact O-N 3.33Å
226D79.4Confident86.8Confident182 Ų18265.5 Ų65.597%0.97336%0.357SS*.THydrogen-bonded Turntrans-60.2-10.5-179-67.7-22.4000114.4
227N86.1Confident86.8Confident83 Ų8363.3 Ų63.344%0.44435%0.348SS..THydrogen-bonded Turntrans-96.9-3.8177.235.1-99.2000114.4E225 G257 L258E225-N227 WeakPolarHBondContact CB-ND2 3.36Å; E225-N227 PolarHBondContact O-N 2.95Å; E225-N227 PolarHBondContact OE2-ND2 2.98Å; N227-G257 WeakPolarHBondContact O-CA 3.32Å; N227-L258 PolarHBondContact O-N 3Å
228E90Very high86.9Confident35 Ų3565 Ų6516%0.16436%0.359CS..BIsolated β-bridgetrans-98.1160.6-176.8-63.8176.7143.300112.7F221 A223 A224 E225 W247 L258F221-E228 HydrophobicContact CE1-CB 4.33Å; A223-E228 HydrophobicContact CB-CB 3.66Å; A224-E228 WeakPolarHBondContact CA-OE2 3.42Å; A224-E228 PolarHBondContact N-OE2 3.34Å; E225-E228 HydrophobicContact CB-CG 4.25Å; E225-E228 PolarHBondContact N-OE2 3.5Å; E225-E228 PolarHBondContact O-N 3.33Å; E228-W247 HydrophobicContact CG-CZ3 4.26Å; E228-W247 WeakPolarHBondContact OE1-CH2 3.28Å; E228-L258 CarbonylContact C-O 3.54Å; E228-L258 VanDerWaalsContact CA-O 3.27Å; E228-L258 WeakPolarHBondContact CA-O 3.46Å
229L88.9Confident86.9Confident5 Ų562 Ų623%0.02634%0.344CS..  trans-111.3100.3-172.1-173.863000112F221 F231 I237 G250 T252 G255 L258 F259F221-L229 WeakPolarHBondContact CD1-O 3.4Å; L229-F231 HydrophobicContact CG-CD1 4.37Å; L229-F231 WeakPolarHBondContact O-CD1 3.37Å; L229-F231 WeakPolarHBondContact O-CE1 3.39Å; L229-I237 HydrophobicContact CD2-CG2 4Å; L229-G250 WeakPolarHBondContact CD2-O 3.21Å; L229-T252 HydrophobicContact CD1-CG2 4.1Å; L229-T252 WeakPolarHBondContact CD1-OG1 3.34Å; L229-T252 HydrophobicContact CD2-CG2 3.92Å; L229-T252 HydrophobicContact CG-CG2 4.01Å; L229-G255 WeakPolarHBondContact CD1-O 3.4Å; L229-L258 PolarHBondContact N-O 3.37Å; L229-F259 HydrophobicContact CB-CB 4.46Å; L229-F259 HydrophobicContact CD2-CD1 3.83Å; L229-F259 HydrophobicContact CD2-CE1 4.32Å
230T88.1Confident87Confident40 Ų4060.6 Ų60.625%0.24534%0.344CS..  trans-64.7134171.6-63.70000111.7F221 A223F221-T230 WeakPolarHBondContact O-CA 3.09Å; A223-T230 WeakPolarHBondContact CB-OG1 3.38Å; A223-T230 PolarHBondContact N-OG1 2.94Å
231F90.5Very high86.6Confident1 Ų159.6 Ų59.60%0.00434%0.339CS..BIsolated β-bridgetrans-155.6164.4172.455.1-101.3000111.8A217 Y219 F221 L229 E235 I237 T252 F259 F263 V264A217-F231 HydrophobicContact CB-CD2 3.38Å; A217-F231 HydrophobicContact CB-CE2 3.51Å; A217-F231 HydrophobicContact CB-CG 4.41Å; Y219-F231 WeakPolarHBondContact O-CE2 3.4Å; F221-F231 HydrophobicContact CB-CD1 4.47Å; F221-F231 HydrophobicContact CB-CD2 4.22Å; F221-F231 HydrophobicContact CB-CE1 3.99Å; F221-F231 HydrophobicContact CB-CE2 3.7Å; F221-F231 HydrophobicContact CB-CZ 3.58Å; F221-F231 AromaticContact CD1-CE1 3.97Å; F221-F231 HydrophobicContact CD1-CE1 3.97Å; F221-F231 HydrophobicContact CD1-CZ 4.28Å; F221-F231 HydrophobicContact CG-CE1 4.36Å; F221-F231 HydrophobicContact CG-CZ 4.21Å; F221-F231 PolarHBondContact N-O 3.04Å; F221-F231 PolarHBondContact O-N 3.26Å; L229-F231 HydrophobicContact CG-CD1 4.37Å; L229-F231 WeakPolarHBondContact O-CD1 3.37Å; L229-F231 WeakPolarHBondContact O-CE1 3.39Å; F231-E235 WeakPolarHBondContact CA-OE2 3.07Å; F231-E235 HydrophobicContact CB-CB 4.48Å; F231-E235 WeakPolarHBondContact CB-OE2 3.38Å; F231-I237 HydrophobicContact CD1-CD1 3.63Å; F231-I237 HydrophobicContact CD1-CG1 4.19Å; F231-I237 HydrophobicContact CD2-CD1 4.07Å; F231-I237 HydrophobicContact CE1-CD1 3.65Å; F231-I237 HydrophobicContact CE2-CD1 4.08Å; F231-I237 HydrophobicContact CG-CD1 3.84Å; F231-I237 HydrophobicContact CG-CG1 4.35Å; F231-I237 HydrophobicContact CZ-CD1 3.88Å; F231-T252 HydrophobicContact CB-CG2 4.24Å; F231-F259 HydrophobicContact CE1-CB 3.59Å; F231-F259 HydrophobicContact CE1-CD2 4.08Å; F231-F259 AromaticContact CE1-CG 3.85Å; F231-F259 HydrophobicContact CE1-CG 3.85Å; F231-F259 HydrophobicContact CZ-CB 4.23Å; F231-F259 HydrophobicContact CZ-CD2 4.23Å; F231-F259 HydrophobicContact CZ-CG 4.43Å; F231-F263 HydrophobicContact CE2-CB 4.38Å; F231-F263 HydrophobicContact CZ-CB 4.1Å; F231-V264 HydrophobicContact CZ-CG1 4.43Å
232K87.8Confident86.4Confident98 Ų9861.7 Ų61.743%0.42635%0.351SS..  trans-109.8153.1175.3-66.3-52.3-170.5-173.60113.3A217 D220 G234 E235A217-K232 WeakPolarHBondContact CB-O 3.4Å; D220-K232 HydrophobicContact CB-CB 4.32Å; D220-K232 HydrophobicContact CB-CD 3.3Å; D220-K232 HydrophobicContact CB-CG 4.43Å; D220-K232 IonicContact OD2-NZ 2.63Å; D220-K232 PolarHBondContact OD2-NZ 3.36Å; K232-G234 PolarHBondContact O-N 3.46Å; K232-E235 PolarHBondContact N-OE2 2.91Å; K232-E235 WeakPolarHBondContact O-CB 3.4Å; K232-E235 PolarHBondContact O-N 2.64Å
233A86.3Confident86.1Confident51 Ų5159.4 Ų59.442%0.42135%0.352SS..THydrogen-bonded Turntrans-52.7136176.400000111.1E235A233-E235 VanDerWaalsContact C-N 3.33Å
234G83.1Confident85.8Confident29 Ų2963 Ų6330%0.29937%0.366SS..THydrogen-bonded Turntrans88.2-17-171.600000115.1R216 A217 K232R216-G234 PolarHBondContact NE-O 3.38Å; A217-G234 PolarHBondContact O-N 2.95Å; K232-G234 PolarHBondContact O-N 3.46Å
235E88.1Confident85.9Confident39 Ų3963 Ų6318%0.18236%0.358CS..  trans-66.3145.8178-168.6170.417100111.8R216 A217 F231 K232 A233 T252 H253R216-E235 CarbonylContact C-O 3.57Å; R216-E235 WeakPolarHBondContact CA-O 3.45Å; A217-E235 PolarHBondContact N-O 2.96Å; F231-E235 WeakPolarHBondContact CA-OE2 3.07Å; F231-E235 HydrophobicContact CB-CB 4.48Å; F231-E235 WeakPolarHBondContact CB-OE2 3.38Å; K232-E235 PolarHBondContact N-OE2 2.91Å; K232-E235 WeakPolarHBondContact O-CB 3.4Å; K232-E235 PolarHBondContact O-N 2.64Å; A233-E235 VanDerWaalsContact C-N 3.33Å; E235-T252 WeakPolarHBondContact OE1-CB 3.41Å; E235-H253 IonicContact OE1-CE1 3.78Å; E235-H253 PolarHBondContact OE1-CE1 2.84Å; E235-H253 IonicContact OE1-CG 2.68Å; E235-H253 IonicContact OE1-ND1 3.22Å; E235-H253 PolarHBondContact OE1-ND1 2.65Å; E235-H253 IonicContact OE2-CE1 3.78Å
236V89Confident86Confident55 Ų5562.4 Ų62.433%0.33336%0.358SS..EExtended strand (participates in β ladder)trans-103.2111.3179.2178.80000109.8K214 V215 L268K214-V236 HydrophobicContact CB-CG1 3.85Å; K214-V236 HydrophobicContact CD-CG1 4.23Å; K214-V236 HydrophobicContact CG-CG1 4.07Å; V215-V236 CarbonylContact O-C 3.58Å; V215-V236 WeakPolarHBondContact O-CA 3.36Å; V236-L268 HydrophobicContact CG1-CD2 3.93Å; V236-L268 HydrophobicContact CG2-CD2 4.21Å
237I90.3Very high86.5Confident0 Ų058.7 Ų58.70%033%0.331CS..EExtended strand (participates in β ladder)trans-91.2139.8177-57.7145000108.2K214 V215 A217 L229 F231 T252 F259 V264K214-I237 WeakPolarHBondContact CA-O 3.29Å; V215-I237 HydrophobicContact CG2-CB 3.99Å; V215-I237 PolarHBondContact N-O 3.03Å; V215-I237 PolarHBondContact O-N 3.37Å; A217-I237 HydrophobicContact CB-CD1 4.32Å; L229-I237 HydrophobicContact CD2-CG2 4Å; F231-I237 HydrophobicContact CD1-CD1 3.63Å; F231-I237 HydrophobicContact CD1-CG1 4.19Å; F231-I237 HydrophobicContact CD2-CD1 4.07Å; F231-I237 HydrophobicContact CE1-CD1 3.65Å; F231-I237 HydrophobicContact CE2-CD1 4.08Å; F231-I237 HydrophobicContact CG-CD1 3.84Å; F231-I237 HydrophobicContact CG-CG1 4.35Å; F231-I237 HydrophobicContact CZ-CD1 3.88Å; I237-T252 HydrophobicContact CB-CG2 4.34Å; I237-T252 HydrophobicContact CG1-CG2 3.66Å; I237-T252 HydrophobicContact CG2-CG2 4.34Å; I237-F259 HydrophobicContact CD1-CE2 4.47Å; I237-F259 HydrophobicContact CG2-CD1 4.5Å; I237-F259 HydrophobicContact CG2-CE1 3.78Å; I237-F259 HydrophobicContact CG2-CZ 4.03Å; I237-V264 HydrophobicContact CD1-CG1 3.56Å
238T90.1Very high86.7Confident39 Ų3957.1 Ų57.124%0.23932%0.319CS..EExtended strand (participates in β ladder)trans-95.4114.6169.6-54.60000108.5L240 G250 E251T238-L240 PolarHBondContact O-N 3.31Å; T238-G250 CarbonylContact O-C 3.6Å; T238-G250 WeakPolarHBondContact O-CA 3.5Å; T238-E251 PolarHBondContact N-O 3.39Å; T238-E251 PolarHBondContact O-N 2.76Å
239V90.1Very high86.7Confident12 Ų1259.9 Ų59.97%0.07333%0.33CS..EExtended strand (participates in β ladder)trans-70.1131.1177.6-179.70000109.7R213 V215 D242 W248 F259R213-V239 HydrophobicContact CB-CB 4.31Å; R213-V239 WeakPolarHBondContact O-CB 3.39Å; R213-V239 VanDerWaalsContact O-CG2 3.31Å; R213-V239 WeakPolarHBondContact O-CG2 3.5Å; R213-V239 PolarHBondContact O-N 2.86Å; V215-V239 HydrophobicContact CB-CG2 4.49Å; V215-V239 HydrophobicContact CG1-CG2 3.89Å; V215-V239 HydrophobicContact CG2-CG2 3.75Å; V239-D242 HydrophobicContact CG1-CB 4.13Å; V239-W248 HydrophobicContact CG2-CE3 4.16Å; V239-F259 HydrophobicContact CG2-CZ 4.31Å
240L84.9Confident86.7Confident90 Ų9059.6 Ų59.647%0.47133%0.329SS..EExtended strand (participates in β ladder)trans-107.4-27.1177-62.8-178.7000112.5T238 K249 E251 I256T238-L240 PolarHBondContact O-N 3.31Å; L240-K249 PolarHBondContact N-O 3.3Å; L240-E251 HydrophobicContact CD1-CB 4.12Å; L240-E251 HydrophobicContact CG-CB 4.38Å; L240-I256 HydrophobicContact CD1-CD1 4.03Å; L240-I256 HydrophobicContact CD1-CG1 4.04Å; L240-I256 HydrophobicContact CD1-CG2 3.84Å
241D81Confident86.8Confident72 Ų7262.1 Ų62.139%0.38534%0.338SS..EExtended strand (participates in β ladder)trans-153.3123.3178.6-158.6-24.5000109.8S243 W248 K249D241-S243 WeakPolarHBondContact OD1-CB 3.34Å; D241-S243 PolarHBondContact OD1-N 3.04Å; D241-S243 PolarHBondContact OD1-OG 3.25Å; D241-W248 WeakPolarHBondContact O-CA 3.24Å; D241-K249 HydrophobicContact CB-CB 3.71Å; D241-K249 HydrophobicContact CB-CD 4.48Å; D241-K249 PolarHBondContact N-O 2.91Å; D241-K249 PolarHBondContact O-N 3.05Å
242D85Confident86.7Confident73 Ų7362.8 Ų62.839%0.3934%0.342SS..  trans-11620.3174.263.3-41.9000113.3R213 V239 D244 W248R213-D242 IonicContact CZ-OD2 2.65Å; R213-D242 IonicContact NH1-OD2 2.72Å; R213-D242 PolarHBondContact NH1-OD2 2.88Å; R213-D242 IonicContact NH2-OD2 2.68Å; R213-D242 PolarHBondContact NH2-OD2 3.26Å; V239-D242 HydrophobicContact CG1-CB 4.13Å; D242-D244 VanDerWaalsContact C-N 3.29Å; D242-D244 PolarHBondContact O-N 3.42Å; D242-W248 HydrophobicContact CB-CD2 4.18Å; D242-W248 HydrophobicContact CB-CG 4.19Å; D242-W248 HydrophobicContact CB-CZ2 4.47Å
243S82.1Confident86.2Confident99 Ų9965 Ų6569%0.69235%0.354SS*.  trans-61.9-29.5-178-580000114.7D241D241-S243 WeakPolarHBondContact OD1-CB 3.34Å; D241-S243 PolarHBondContact OD1-N 3.04Å; D241-S243 PolarHBondContact OD1-OG 3.25Å
244D80.7Confident85.7Confident109 Ų10968.4 Ų68.458%0.58336%0.361SS*.SBendtrans-98.7129.6177-92.7-63.9000110.7D242 N246 W247 W248D242-D244 VanDerWaalsContact C-N 3.29Å; D242-D244 PolarHBondContact O-N 3.42Å; D244-N246 VanDerWaalsContact C-N 3.31Å; D244-N246 PolarHBondContact O-N 3.38Å; D244-W247 WeakPolarHBondContact CB-O 3.41Å; D244-W248 PolarHBondContact O-NE1 3.01Å
245P80.7Confident85.7Confident97 Ų9768.5 Ų68.563%0.6336%0.361SS*.SBendtrans-70.1-25.5-172.427-35000113.8S261P245-S261 PolarHBondContact O-OG 3.4Å
246N83.8Confident85.7Confident101 Ų10171.1 Ų71.154%0.5438%0.376SS..SBendtrans-99.8-24.3-176.7-69.3103.2000114.1D244 P260 S261D244-N246 VanDerWaalsContact C-N 3.31Å; D244-N246 PolarHBondContact O-N 3.38Å; N246-P260 WeakPolarHBondContact O-CA 3.36Å; N246-S261 PolarHBondContact O-N 3.29Å; N246-S261 PolarHBondContact O-OG 2.89Å
247W89.8Confident85.7Confident105 Ų10568.7 Ų68.740%0.39836%0.362SS..EExtended strand (participates in β ladder)trans-135.7116-172.6-75.993.8000110F221 E228 D244 L258 F259F221-W247 HydrophobicContact CZ-CH2 4.27Å; F221-W247 HydrophobicContact CZ-CZ3 4.21Å; E228-W247 HydrophobicContact CG-CZ3 4.26Å; E228-W247 WeakPolarHBondContact OE1-CH2 3.28Å; D244-W247 WeakPolarHBondContact CB-O 3.41Å; W247-L258 HydrophobicContact CE3-CB 3.98Å; W247-L258 HydrophobicContact CZ3-CB 4.43Å; W247-F259 CarbonylContact C-O 3.54Å; W247-F259 WeakPolarHBondContact CA-O 3.47Å; W247-F259 VanDerWaalsContact CE3-C 3.49Å
248W91.6Very high85.7Confident49 Ų4971.9 Ų71.919%0.18638%0.379CS..EExtended strand (participates in β ladder)trans-104.2150.9177.6-68.1-10.1000110.6V215 V239 D241 D242 D244 L258 F259 V264V215-W248 HydrophobicContact CG1-CZ3 4.39Å; V239-W248 HydrophobicContact CG2-CE3 4.16Å; D241-W248 WeakPolarHBondContact O-CA 3.24Å; D242-W248 HydrophobicContact CB-CD2 4.18Å; D242-W248 HydrophobicContact CB-CG 4.19Å; D242-W248 HydrophobicContact CB-CZ2 4.47Å; D244-W248 PolarHBondContact O-NE1 3.01Å; W248-L258 CarbonylContact O-C 3.51Å; W248-L258 WeakPolarHBondContact O-CA 3.29Å; W248-F259 HydrophobicContact CB-CE1 3.96Å; W248-F259 HydrophobicContact CB-CE2 4.06Å; W248-F259 HydrophobicContact CB-CZ 3.67Å; W248-F259 HydrophobicContact CE3-CE2 4.29Å; W248-F259 HydrophobicContact CE3-CZ 4.28Å; W248-F259 PolarHBondContact N-O 3.43Å; W248-F259 WeakPolarHBondContact O-CD1 3.43Å; W248-F259 WeakPolarHBondContact O-CE1 3.49Å; W248-F259 PolarHBondContact O-N 3.01Å; W248-V264 HydrophobicContact CE3-CG2 4.01Å; W248-V264 HydrophobicContact CZ3-CG2 3.8Å
249K88.5Confident85.7Confident93 Ų9370 Ų7040%0.40437%0.367SS..EExtended strand (participates in β ladder)trans-97.7134171.9-165.1175.5-179.9174.90109.3L240 D241 I256 G257 L258L240-K249 PolarHBondContact N-O 3.3Å; D241-K249 HydrophobicContact CB-CB 3.71Å; D241-K249 HydrophobicContact CB-CD 4.48Å; D241-K249 PolarHBondContact N-O 2.91Å; D241-K249 PolarHBondContact O-N 3.05Å; K249-I256 HydrophobicContact CG-CG2 4.26Å; K249-G257 WeakPolarHBondContact CA-O 3.44Å; K249-L258 HydrophobicContact CB-CD2 3.88Å; K249-L258 HydrophobicContact CG-CD2 4.16Å
250G90.1Very high85.7Confident0 Ų070.3 Ų70.30%037%0.37CS..EExtended strand (participates in β ladder)trans-148.3173.3178.900000114L229 T238 I256 G257L229-G250 WeakPolarHBondContact CD2-O 3.21Å; T238-G250 CarbonylContact O-C 3.6Å; T238-G250 WeakPolarHBondContact O-CA 3.5Å; G250-I256 VanDerWaalsContact O-CA 3.3Å; G250-I256 WeakPolarHBondContact O-CA 3.4Å; G250-G257 PolarHBondContact N-O 3.08Å; G250-G257 PolarHBondContact O-N 3.03Å; G250-G257 VanDerWaalsContact O-N 3.16Å
251E89.9Confident85.8Confident92 Ų9266.7 Ų66.743%0.4335%0.352SS..EExtended strand (participates in β ladder)trans-119.8130.5177.4-171.6168.7-146.900110.1T238 L240 G255 I256T238-E251 PolarHBondContact N-O 3.39Å; T238-E251 PolarHBondContact O-N 2.76Å; L240-E251 HydrophobicContact CD1-CB 4.12Å; L240-E251 HydrophobicContact CG-CB 4.38Å; E251-G255 WeakPolarHBondContact CA-O 3.23Å; E251-I256 HydrophobicContact CB-CG1 3.91Å; E251-I256 HydrophobicContact CG-CD1 4.42Å; E251-I256 HydrophobicContact CG-CG1 3.76Å
252T87.6Confident86.1Confident16 Ų1669.1 Ų69.110%0.09837%0.365CS..  trans-120.5-177.9169.364.70000110.3L229 F231 E235 I237 Q254 G255L229-T252 HydrophobicContact CD1-CG2 4.1Å; L229-T252 WeakPolarHBondContact CD1-OG1 3.34Å; L229-T252 HydrophobicContact CD2-CG2 3.92Å; L229-T252 HydrophobicContact CG-CG2 4.01Å; F231-T252 HydrophobicContact CB-CG2 4.24Å; E235-T252 WeakPolarHBondContact OE1-CB 3.41Å; I237-T252 HydrophobicContact CB-CG2 4.34Å; I237-T252 HydrophobicContact CG1-CG2 3.66Å; I237-T252 HydrophobicContact CG2-CG2 4.34Å; T252-Q254 PolarHBondContact O-N 2.9Å; T252-Q254 VanDerWaalsContact O-N 3.14Å; T252-Q254 PolarHBondContact OG1-N 3.4Å; T252-G255 PolarHBondContact N-O 3.4Å; T252-G255 PolarHBondContact O-N 3.46Å
253H77.3Confident86.1Confident145 Ų14568.8 Ų68.867%0.67136%0.36SS*.SBendtrans-63.3-11.3171.875.4-73.1000114.5E235E235-H253 IonicContact OE1-CE1 3.78Å; E235-H253 PolarHBondContact OE1-CE1 2.84Å; E235-H253 IonicContact OE1-CG 2.68Å; E235-H253 IonicContact OE1-ND1 3.22Å; E235-H253 PolarHBondContact OE1-ND1 2.65Å; E235-H253 IonicContact OE2-CE1 3.78Å
254Q76.7Confident86.3Confident121 Ų12164.8 Ų64.857%0.56533%0.332SS*.SBendtrans-102-22.4-178.3-65.718021.300113.5T252T252-Q254 PolarHBondContact O-N 2.9Å; T252-Q254 VanDerWaalsContact O-N 3.14Å; T252-Q254 PolarHBondContact OG1-N 3.4Å
255G81.8Confident86.4Confident31 Ų3161.1 Ų61.132%0.3231%0.313SS..  trans158.8-159.7178.900000113.8L229 E251 T252L229-G255 WeakPolarHBondContact CD1-O 3.4Å; E251-G255 WeakPolarHBondContact CA-O 3.23Å; T252-G255 PolarHBondContact N-O 3.4Å; T252-G255 PolarHBondContact O-N 3.46Å
256I88.3Confident86.4Confident94 Ų9459.8 Ų59.848%0.48231%0.31SS..EExtended strand (participates in β ladder)trans-121.6130.8176.9-66.1165.3000108.7L240 K249 G250 E251L240-I256 HydrophobicContact CD1-CD1 4.03Å; L240-I256 HydrophobicContact CD1-CG1 4.04Å; L240-I256 HydrophobicContact CD1-CG2 3.84Å; K249-I256 HydrophobicContact CG-CG2 4.26Å; G250-I256 VanDerWaalsContact O-CA 3.3Å; G250-I256 WeakPolarHBondContact O-CA 3.4Å; E251-I256 HydrophobicContact CB-CG1 3.91Å; E251-I256 HydrophobicContact CG-CD1 4.42Å; E251-I256 HydrophobicContact CG-CG1 3.76Å
257G89.5Confident86Confident5 Ų560 Ų605%0.05231%0.312CS..EExtended strand (participates in β ladder)trans-165-177.9-179.900000112.7N227 K249 G250N227-G257 WeakPolarHBondContact O-CA 3.32Å; K249-G257 WeakPolarHBondContact CA-O 3.44Å; G250-G257 PolarHBondContact N-O 3.08Å; G250-G257 PolarHBondContact O-N 3.03Å; G250-G257 VanDerWaalsContact O-N 3.16Å
258L89.8Confident85Confident66 Ų6658.6 Ų58.635%0.34631%0.311SS..EExtended strand (participates in β ladder)trans-91.5147.3176.2-61.9175.5000111.8N227 E228 L229 W247 W248 K249N227-L258 PolarHBondContact O-N 3Å; E228-L258 CarbonylContact C-O 3.54Å; E228-L258 VanDerWaalsContact CA-O 3.27Å; E228-L258 WeakPolarHBondContact CA-O 3.46Å; L229-L258 PolarHBondContact N-O 3.37Å; W247-L258 HydrophobicContact CE3-CB 3.98Å; W247-L258 HydrophobicContact CZ3-CB 4.43Å; W248-L258 CarbonylContact O-C 3.51Å; W248-L258 WeakPolarHBondContact O-CA 3.29Å; K249-L258 HydrophobicContact CB-CD2 3.88Å; K249-L258 HydrophobicContact CG-CD2 4.16Å
259F91.1Very high83.2Confident0 Ų062.7 Ų62.70%034%0.342CS..EExtended strand (participates in β ladder)trans-150.9154.3175.166.3-86.2000112.4V215 F221 L229 F231 I237 V239 W247 W248 S261 V264V215-F259 HydrophobicContact CG2-CZ 4.41Å; F221-F259 HydrophobicContact CD1-CB 4.3Å; F221-F259 HydrophobicContact CE1-CB 4.26Å; L229-F259 HydrophobicContact CB-CB 4.46Å; L229-F259 HydrophobicContact CD2-CD1 3.83Å; L229-F259 HydrophobicContact CD2-CE1 4.32Å; F231-F259 HydrophobicContact CE1-CB 3.59Å; F231-F259 HydrophobicContact CE1-CD2 4.08Å; F231-F259 AromaticContact CE1-CG 3.85Å; F231-F259 HydrophobicContact CE1-CG 3.85Å; F231-F259 HydrophobicContact CZ-CB 4.23Å; F231-F259 HydrophobicContact CZ-CD2 4.23Å; F231-F259 HydrophobicContact CZ-CG 4.43Å; I237-F259 HydrophobicContact CD1-CE2 4.47Å; I237-F259 HydrophobicContact CG2-CD1 4.5Å; I237-F259 HydrophobicContact CG2-CE1 3.78Å; I237-F259 HydrophobicContact CG2-CZ 4.03Å; V239-F259 HydrophobicContact CG2-CZ 4.31Å; W247-F259 CarbonylContact C-O 3.54Å; W247-F259 WeakPolarHBondContact CA-O 3.47Å; W247-F259 VanDerWaalsContact CE3-C 3.49Å; W248-F259 HydrophobicContact CB-CE1 3.96Å; W248-F259 HydrophobicContact CB-CE2 4.06Å; W248-F259 HydrophobicContact CB-CZ 3.67Å; W248-F259 HydrophobicContact CE3-CE2 4.29Å; W248-F259 HydrophobicContact CE3-CZ 4.28Å; W248-F259 PolarHBondContact N-O 3.43Å; W248-F259 WeakPolarHBondContact O-CD1 3.43Å; W248-F259 WeakPolarHBondContact O-CE1 3.49Å; W248-F259 PolarHBondContact O-N 3.01Å; F259-S261 PolarHBondContact O-N 3.13Å; F259-V264 HydrophobicContact CD2-CG1 4Å; F259-V264 HydrophobicContact CE2-CB 4.36Å; F259-V264 HydrophobicContact CE2-CG1 3.53Å; F259-V264 HydrophobicContact CE2-CG2 3.83Å; F259-V264 HydrophobicContact CZ-CG1 4.4Å
260P89Confident81.4Confident19 Ų1960.3 Ų60.312%0.12334%0.339CS..EExtended strand (participates in β ladder)trans-68.7129.6178.825.5-34.1000112.6F221 N246 N262 F263F221-P260 HydrophobicContact CD2-CG 3.99Å; F221-P260 HydrophobicContact CE2-CG 3.82Å; F221-P260 HydrophobicContact CZ-CG 4.26Å; N246-P260 WeakPolarHBondContact O-CA 3.36Å; P260-N262 PolarHBondContact O-N 3.48Å; P260-F263 HydrophobicContact CB-CD2 3.96Å; P260-F263 HydrophobicContact CB-CE2 4.48Å; P260-F263 HydrophobicContact CG-CB 4.16Å; P260-F263 HydrophobicContact CG-CD2 3.47Å; P260-F263 VanDerWaalsContact CG-CD2 3.47Å; P260-F263 HydrophobicContact CG-CE2 3.96Å; P260-F263 HydrophobicContact CG-CG 3.8Å; P260-F263 PolarHBondContact O-N 3.49Å
261S87.3Confident79.5Confident14 Ų1468.3 Ų68.310%0.09838%0.377CS..G310 helixtrans-58.6-31.5-178.853.80000113.5P245 N246 F259 F263 V264P245-S261 PolarHBondContact O-OG 3.4Å; N246-S261 PolarHBondContact O-N 3.29Å; N246-S261 PolarHBondContact O-OG 2.89Å; F259-S261 PolarHBondContact O-N 3.13Å; S261-F263 PolarHBondContact O-N 3.37Å; S261-V264 WeakPolarHBondContact O-CG2 3.44Å; S261-V264 PolarHBondContact O-N 2.91Å
262N88Confident77.2Confident123 Ų12368.5 Ų68.566%0.65839%0.386SS*.G310 helixtrans-67.9-7.9176.9-69.8-23.3000115P260P260-N262 PolarHBondContact O-N 3.48Å
263F84.9Confident74.9Confident65 Ų6576 Ų7629%0.28542%0.42SS..G310 helixtrans-94.33.3-179.3-82.3-122000113A217 I218 Y219 F221 F231 P260 S261A217-F263 CarbonylContact C-O 3.49Å; A217-F263 WeakPolarHBondContact CA-O 3.37Å; I218-F263 WeakPolarHBondContact CG1-O 3.49Å; I218-F263 PolarHBondContact N-O 3.06Å; Y219-F263 HydrophobicContact CD2-CD1 4.32Å; Y219-F263 HydrophobicContact CD2-CG 4.38Å; F221-F263 HydrophobicContact CB-CD1 3.97Å; F221-F263 HydrophobicContact CB-CE1 4.4Å; F221-F263 HydrophobicContact CD2-CD1 4.22Å; F221-F263 HydrophobicContact CD2-CE1 4.15Å; F221-F263 HydrophobicContact CG-CD1 4.47Å; F231-F263 HydrophobicContact CE2-CB 4.38Å; F231-F263 HydrophobicContact CZ-CB 4.1Å; P260-F263 HydrophobicContact CB-CD2 3.96Å; P260-F263 HydrophobicContact CB-CE2 4.48Å; P260-F263 HydrophobicContact CG-CB 4.16Å; P260-F263 HydrophobicContact CG-CD2 3.47Å; P260-F263 VanDerWaalsContact CG-CD2 3.47Å; P260-F263 HydrophobicContact CG-CE2 3.96Å; P260-F263 HydrophobicContact CG-CG 3.8Å; P260-F263 PolarHBondContact O-N 3.49Å; S261-F263 PolarHBondContact O-N 3.37Å
264V86.3Confident72.9Confident16 Ų1675.6 Ų75.610%0.09742%0.42CS..EExtended strand (participates in β ladder)trans-133.6155.8-177.2-57.50000113.2V215 R216 F231 I237 W248 F259 S261V215-V264 HydrophobicContact CB-CB 3.91Å; V215-V264 HydrophobicContact CB-CG2 3.97Å; V215-V264 HydrophobicContact CG1-CG2 4.46Å; V215-V264 HydrophobicContact CG2-CB 3.76Å; V215-V264 HydrophobicContact CG2-CG1 3.91Å; V215-V264 HydrophobicContact CG2-CG2 3.8Å; R216-V264 CarbonylContact O-C 3.37Å; R216-V264 VanDerWaalsContact O-CA 3.24Å; R216-V264 WeakPolarHBondContact O-CA 3.5Å; F231-V264 HydrophobicContact CZ-CG1 4.43Å; I237-V264 HydrophobicContact CD1-CG1 3.56Å; W248-V264 HydrophobicContact CE3-CG2 4.01Å; W248-V264 HydrophobicContact CZ3-CG2 3.8Å; F259-V264 HydrophobicContact CD2-CG1 4Å; F259-V264 HydrophobicContact CE2-CB 4.36Å; F259-V264 HydrophobicContact CE2-CG1 3.53Å; F259-V264 HydrophobicContact CE2-CG2 3.83Å; F259-V264 HydrophobicContact CZ-CG1 4.4Å; S261-V264 WeakPolarHBondContact O-CG2 3.44Å; S261-V264 PolarHBondContact O-N 2.91Å
265T82.4Confident71.2Confident32 Ų3276.8 Ų76.820%0.19643%0.429CS..EExtended strand (participates in β ladder)trans-120.8153.9168-177.70000111.6V215 R216 I218 D267V215-T265 CarbonylContact C-O 3.43Å; V215-T265 WeakPolarHBondContact CA-O 3.43Å; V215-T265 WeakPolarHBondContact CB-O 3.11Å; R216-T265 HydrophobicContact CB-CG2 4.21Å; R216-T265 PolarHBondContact N-O 3.4Å; R216-T265 PolarHBondContact O-N 3.4Å; I218-T265 HydrophobicContact CG2-CG2 3.67Å; T265-D267 HydrophobicContact CG2-CB 4.1Å; T265-D267 PolarHBondContact OG1-N 3.45Å; T265-D267 VanDerWaalsContact OG1-N 3.11Å; T265-D267 PolarHBondContact OG1-OD2 2.97Å
266A80.1Confident69Low68 Ų6882.7 Ų82.756%0.56245%0.446SS*.SBendtrans-73.3-14.3167.700000113.1L268A266-L268 PolarHBondContact O-N 2.9Å
267D77.3Confident66.5Low107 Ų10784.4 Ų84.457%0.57246%0.46SS*.  trans-77.584.4-174.7-66.8-53.5000113.2T265 T269 A270T265-D267 HydrophobicContact CG2-CB 4.1Å; T265-D267 PolarHBondContact OG1-N 3.45Å; T265-D267 VanDerWaalsContact OG1-N 3.11Å; T265-D267 PolarHBondContact OG1-OD2 2.97Å; D267-T269 PolarHBondContact O-N 2.94Å; D267-A270 PolarHBondContact O-N 3.23Å; D267-A270 VanDerWaalsContact O-N 3.13Å
268L66.9Low63.9Low75 Ų7593.1 Ų93.139%0.39350%0.5SS..THydrogen-bonded Turntrans-64.1-3.9176.5-63.7174.8000114.8K214 R216 V236 A266K214-L268 HydrophobicContact CB-CD1 3.87Å; K214-L268 HydrophobicContact CB-CD2 4.03Å; R216-L268 VanDerWaalsContact CZ-O 3.23Å; R216-L268 VanDerWaalsContact NH1-C 3.3Å; R216-L268 PolarHBondContact NH1-O 3.31Å; R216-L268 PolarHBondContact NH2-O 3.35Å; V236-L268 HydrophobicContact CG1-CD2 3.93Å; V236-L268 HydrophobicContact CG2-CD2 4.21Å; A266-L268 PolarHBondContact O-N 2.9Å
269T54.4Low61.2Low135 Ų13599.1 Ų99.183%0.82852%0.523SS*.THydrogen-bonded Turntrans-98.8-8.5177.6-29.50000113D267 E271D267-T269 PolarHBondContact O-N 2.94Å; T269-E271 PolarHBondContact O-N 3.38Å; T269-E271 VanDerWaalsContact O-N 3.15Å
270A51.5Low58.4Low42 Ų42108.6 Ų108.635%0.34756%0.564SS.*  trans-67.2111.7176.500000110.7R216 D267R216-A270 WeakPolarHBondContact CD-O 3.38Å; R216-A270 PolarHBondContact NH1-O 3.27Å; D267-A270 PolarHBondContact O-N 3.23Å; D267-A270 VanDerWaalsContact O-N 3.13Å
271E49.4Very low55.4Low168 Ų168114.6 Ų114.679%0.78560%0.601SS**  trans-61.4153.8157-67-153.2128.800108.8T269 E273T269-E271 PolarHBondContact O-N 3.38Å; T269-E271 VanDerWaalsContact O-N 3.15Å; E271-E273 VanDerWaalsContact C-N 3.26Å; E271-E273 PolarHBondContact O-N 3.19Å
272P42.7Very low52.5Low97 Ų97118.7 Ų118.763%0.6363%0.625SS**  trans-72.480.8-178.330.1-35.1000111.1M274P272-M274 PolarHBondContact O-N 2.9Å
273E37.8Very low49.8Very low172 Ų172122.2 Ų122.280%0.80464%0.637SS**  trans-59.4105.3163.4-75.7-148126.700108.6E271 I275E271-E273 VanDerWaalsContact C-N 3.26Å; E271-E273 PolarHBondContact O-N 3.19Å; E273-I275 PolarHBondContact O-N 3.47Å
274M36.3Very low47.1Very low138 Ų138127.9 Ų127.968%0.6866%0.663SS**  trans-73.482176.6-64.2176.765.300109P272 K276P272-M274 PolarHBondContact O-N 2.9Å; M274-K276 HydrophobicContact CE-CD 4.27Å; M274-K276 PolarHBondContact O-N 3.19Å
275I41Very low44.7Very low145 Ų145132.5 Ų132.574%0.74470%0.695SS**  trans-6479.9171.1-58.1172.9000108.3E273E273-I275 PolarHBondContact O-N 3.47Å
276K36Very low42.5Very low156 Ų156138.1 Ų138.168%0.67872%0.724SS**  trans-87.5118.5177.9-89.1178.6166.1169.50109.1M274 E278M274-K276 HydrophobicContact CE-CD 4.27Å; M274-K276 PolarHBondContact O-N 3.19Å; K276-E278 PolarHBondContact O-N 2.89Å
277T35.3Very low40.1Very low129 Ų129142.1 Ų142.179%0.79174%0.736SS**  trans-36.6118.9162.6-45.80000111K279T277-K279 PolarHBondContact O-N 2.92Å
278E33.8Very low38Very low189 Ų189142 Ų14288%0.88374%0.739SS**  trans-65.4119.7-168.2-64.7-163.8113.800113K276K276-E278 PolarHBondContact O-N 2.89Å
279K32.8Very low36.2Very low192 Ų192148.1 Ų148.184%0.83577%0.766SS**  trans-139.477166.4-69.1-166.1-178.9179.40112.4T277T277-K279 PolarHBondContact O-N 2.92Å
280K33.2Very low35.4Very low199 Ų199148.9 Ų148.987%0.86576%0.763SS**  trans37.3108.8139.9-162.1168.5-167.9163.30117.8
281T25.2Very low34.6Very low144 Ų144155.7 Ų155.788%0.88379%0.788SS**  trans-126.9162.8148.1-166.30000109.8
282V28.2Very low33.7Very low101 Ų101153.4 Ų153.461%0.61279%0.785SS**  trans-101.9133.8-157.9-179.90000112.6F284V282-F284 HydrophobicContact CG1-CD2 3.62Å; V282-F284 HydrophobicContact CG1-CE2 3.63Å
283Q31.3Very low33.8Very low196 Ų196156.2 Ų156.292%0.91679%0.794SS**  trans-134.8128.2153.5-153.8164.41700108.6
284F27.9Very low34Very low185 Ų185156 Ų15681%0.81179%0.793SS**  trans-84.5130.8-172.9-85.2-97.8000112.2V282V282-F284 HydrophobicContact CG1-CD2 3.62Å; V282-F284 HydrophobicContact CG1-CE2 3.63Å
285S34.5Very low34.4Very low112 Ų112153.7 Ų153.778%0.78379%0.788SS**  trans-157.2141.6140.5-72.50000107.1
286D36Very low34.7Very low150 Ų150155 Ų15580%0.80279%0.791SS**  trans-58.4151.1176.4-54.4-94.4000110.6
287D31.4Very low35.2Very low153 Ų153153.2 Ų153.282%0.81880%0.795SS**  cis-137.8176.232.2-139.7-55.8000114
288V32.9Very low36.1Very low105 Ų105154.5 Ų154.564%0.63679%0.792SS**  trans-107.6123.3-171.7176.60000112.5I290V288-I290 HydrophobicContact CG1-CD1 4.27Å; V288-I290 HydrophobicContact CG1-CG1 4.04Å
289Q29.4Very low37Very low202 Ų202151.3 Ų151.394%0.94479%0.787SS**  trans-133.3153.7147.9-68.3-160.867.700110.2
290I37.7Very low38.4Very low152 Ų152144.1 Ų144.178%0.77976%0.764SS**  trans-129.9114.7-170.7-60.9168.8000107.9V288V288-I290 HydrophobicContact CG1-CD1 4.27Å; V288-I290 HydrophobicContact CG1-CG1 4.04Å
291E33.8Very low40.2Very low185 Ų185142.1 Ų142.186%0.86476%0.756SS**  trans-143.693.6172.1-157144.1-128.200106.2
292T31.2Very low42.8Very low119 Ų119137.9 Ų137.973%0.7373%0.727SS**  92.2125.490.5-660000109.8E294T292-E294 PolarHBondContact O-N 3.43Å
293I44.4Very low45.5Very low157 Ų157134.9 Ų134.981%0.80571%0.707SS**PPolyproline II helixtrans-77.6118.9-178.3-63.8159.5000107.4P295I293-P295 WeakPolarHBondContact O-CD 3.11Å
294E42.4Very low48.1Very low168 Ų168132.5 Ų132.579%0.78570%0.696SS**PPolyproline II helixtrans-64.8120.5167-170.2170.9-144.700108.6T292T292-E294 PolarHBondContact O-N 3.43Å
295P44.3Very low50.8Low89 Ų89130 Ų13058%0.57869%0.691SS**PPolyproline II helixtrans-78170.3-17632.4-35.2000112.3I293I293-P295 WeakPolarHBondContact O-CD 3.11Å
296E46.8Very low53.1Low173 Ų173127.6 Ų127.681%0.80867%0.667SS**SBendtrans-45.6135.4160.3-177174.5-166.600110E298E296-E298 PolarHBondContact O-N 3.28Å
297P47Very low55.5Low117 Ų117123.3 Ų123.376%0.7664%0.643SS**  trans-61.2106.7-170.323.6-34.3000110.8
298E54.5Low58.1Low157 Ų157120.9 Ų120.973%0.73463%0.63SS**  trans-58.9145.1178.8-69.1-160.4147.700110.3E296 A300E296-E298 PolarHBondContact O-N 3.28Å; E298-A300 PolarHBondContact O-N 3.47Å
299P52.4Low60.6Low121 Ų121119.9 Ų119.979%0.78662%0.618SS**  trans-61.6111.2-179.425.6-34.1000109.4F301P299-F301 PolarHBondContact O-N 3.37Å
300A61Low63.2Low41 Ų41111.2 Ų111.234%0.33958%0.578SS.*  trans-50.6125.4-178.100000110.6E298 Q338 L342E298-A300 PolarHBondContact O-N 3.47Å; A300-Q338 HydrophobicContact CB-CG 3.98Å; A300-L342 HydrophobicContact CB-CD1 3.75Å; A300-L342 WeakPolarHBondContact O-CD1 3.34Å
301F71.2Confident65.4Low158 Ų158108.4 Ų108.469%0.69356%0.564SS**  trans-125.6147.1-177.7171.4-98.4000108.2P299 D303 M339P299-F301 PolarHBondContact O-N 3.37Å; F301-D303 HydrophobicContact CD1-CB 4.44Å; F301-D303 PolarHBondContact O-N 2.63Å; F301-D303 VanDerWaalsContact O-N 3.12Å; F301-M339 WeakPolarHBondContact O-CG 3.38Å
302I80.8Confident67.9Low54 Ų54105.3 Ų105.328%0.27755%0.55SS..  trans-77.1101.5-178.5-55.4169.6000108.5M307 L342 I343 K346I302-M307 HydrophobicContact CG2-CE 4.23Å; I302-L342 HydrophobicContact CD1-CB 4.11Å; I302-L342 HydrophobicContact CG1-CB 3.93Å; I302-I343 HydrophobicContact CB-CG1 4.49Å; I302-I343 HydrophobicContact CD1-CG1 3.87Å; I302-I343 HydrophobicContact CG1-CG1 3.96Å; I302-I343 HydrophobicContact CG2-CD1 4.15Å; I302-I343 HydrophobicContact CG2-CG1 3.72Å; I302-K346 HydrophobicContact CD1-CB 4.32Å; I302-K346 HydrophobicContact CD1-CG 3.79Å
303D84Confident70.2Confident38 Ų38101.1 Ų101.120%0.20352%0.522CS..  trans-107.8110-175.5-167.1-32000110F301 D305 K306 M339F301-D303 HydrophobicContact CD1-CB 4.44Å; F301-D303 PolarHBondContact O-N 2.63Å; F301-D303 VanDerWaalsContact O-N 3.12Å; D303-D305 PolarHBondContact OD1-N 3.17Å; D303-K306 HydrophobicContact CB-CB 4.28Å; D303-K306 HydrophobicContact CB-CD 4.25Å; D303-K306 HydrophobicContact CB-CG 4.14Å; D303-K306 PolarHBondContact OD1-N 2.77Å; D303-K306 IonicContact OD2-NZ 2.86Å; D303-K306 PolarHBondContact OD2-NZ 3.06Å; D303-M339 HydrophobicContact CB-SD 3.99Å; D303-M339 PolarHBondContact N-SD 3.34Å
304E86.3Confident72Confident146 Ų14698.4 Ų98.468%0.68251%0.509SS*.Hα-helixtrans-68.8-42.8-175.3-167.9169.5-171.500111.4K306 M307 D308E304-K306 VanDerWaalsContact C-N 3.27Å; E304-K306 PolarHBondContact O-N 3.47Å; E304-M307 PolarHBondContact O-N 3.09Å; E304-M307 VanDerWaalsContact O-N 3.12Å; E304-D308 PolarHBondContact O-N 3.18Å; E304-D308 VanDerWaalsContact O-N 3.07Å
305D84.5Confident73.9Confident133 Ų13397 Ų9771%0.71150%0.502SS*.Hα-helixtrans-60.3-35.5179.6-69.1-76.7000111.9D303 Q309D303-D305 PolarHBondContact OD1-N 3.17Å; D305-Q309 WeakPolarHBondContact O-CB 3.4Å; D305-Q309 PolarHBondContact O-N 2.87Å
306K83.7Confident75.5Confident61 Ų6197 Ų9727%0.26550%0.504SS..Hα-helixtrans-68.6-37.4176.3-71-166.4-179.384.20113.3D303 E304 Q309 L310 L332 M335 M339D303-K306 HydrophobicContact CB-CB 4.28Å; D303-K306 HydrophobicContact CB-CD 4.25Å; D303-K306 HydrophobicContact CB-CG 4.14Å; D303-K306 PolarHBondContact OD1-N 2.77Å; D303-K306 IonicContact OD2-NZ 2.86Å; D303-K306 PolarHBondContact OD2-NZ 3.06Å; E304-K306 VanDerWaalsContact C-N 3.27Å; E304-K306 PolarHBondContact O-N 3.47Å; K306-Q309 PolarHBondContact O-N 2.98Å; K306-L310 PolarHBondContact O-N 3.4Å; K306-L332 HydrophobicContact CB-CD2 4.47Å; K306-M335 HydrophobicContact CD-CE 3.9Å; K306-M335 HydrophobicContact CD-SD 3.75Å; K306-M339 HydrophobicContact CB-CE 4.28Å
307M84.9Confident76.9Confident61 Ų6192.3 Ų92.330%0.349%0.488SS..Hα-helixtrans-68.7-41176.9-67.6-174.2-72.100110.8I302 E304 L310 L311 M339 I343I302-M307 HydrophobicContact CG2-CE 4.23Å; E304-M307 PolarHBondContact O-N 3.09Å; E304-M307 VanDerWaalsContact O-N 3.12Å; M307-L310 PolarHBondContact O-N 2.65Å; M307-L311 WeakPolarHBondContact O-CB 3.31Å; M307-L311 PolarHBondContact O-N 2.71Å; M307-M339 HydrophobicContact CG-CE 3.6Å; M307-M339 HydrophobicContact SD-CE 4.3Å; M307-I343 HydrophobicContact CE-CD1 4.27Å; M307-I343 HydrophobicContact SD-CD1 3.84Å
308D87.1Confident78.1Confident101 Ų10191.3 Ų91.354%0.5448%0.476SS..Hα-helixtrans-66.9-36.3174.1-88.2-6.3000112.3E304 L311 Q312E304-D308 PolarHBondContact O-N 3.18Å; E304-D308 VanDerWaalsContact O-N 3.07Å; D308-L311 PolarHBondContact O-N 2.96Å; D308-Q312 VanDerWaalsContact O-CB 3.23Å; D308-Q312 WeakPolarHBondContact O-CB 3.38Å; D308-Q312 PolarHBondContact O-N 2.87Å
309Q84.6Confident78.6Confident84 Ų8490 Ų9039%0.39348%0.481SS..Hα-helixtrans-62.4-46.9172.9-174.5177.3-10.700111.6D305 K306 L311 Q312 M313 E328 L332D305-Q309 WeakPolarHBondContact O-CB 3.4Å; D305-Q309 PolarHBondContact O-N 2.87Å; K306-Q309 PolarHBondContact O-N 2.98Å; Q309-L311 PolarHBondContact O-N 2.6Å; Q309-Q312 PolarHBondContact O-N 3.41Å; Q309-M313 HydrophobicContact CG-SD 4.34Å; Q309-M313 WeakPolarHBondContact O-CG 3.17Å; Q309-M313 PolarHBondContact O-N 3.4Å; Q309-E328 PolarHBondContact NE2-OE1 3.28Å; Q309-L332 HydrophobicContact CB-CD1 4.47Å; Q309-L332 HydrophobicContact CG-CD1 3.82Å
310L85.5Confident79.4Confident21 Ų2189.1 Ų89.111%0.1148%0.478CS..Hα-helixtrans-59.3-47174.8177.960.7000111.2K306 M307 Q312 M313 L314 L329 L332 E333 C336K306-L310 PolarHBondContact O-N 3.4Å; M307-L310 PolarHBondContact O-N 2.65Å; L310-Q312 VanDerWaalsContact C-N 3.31Å; L310-Q312 PolarHBondContact O-N 3.36Å; L310-M313 PolarHBondContact O-N 2.87Å; L310-L314 HydrophobicContact CD1-CD1 4.09Å; L310-L314 HydrophobicContact CD1-CG 4.18Å; L310-L314 HydrophobicContact CG-CD1 4Å; L310-L314 HydrophobicContact CG-CG 4.5Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 3.12Å; L310-L329 HydrophobicContact CD1-CD1 3.65Å; L310-L329 HydrophobicContact CD1-CG 4.49Å; L310-L332 HydrophobicContact CB-CB 4.23Å; L310-L332 HydrophobicContact CD1-CB 4.1Å; L310-E333 HydrophobicContact CD1-CB 4.4Å; L310-C336 HydrophobicContact CD2-CB 3.71Å; L310-C336 WeakPolarHBondContact CD2-SG 3.42Å
311L84.1Confident79.8Confident92 Ų9292.2 Ų92.248%0.48249%0.488SS..Hα-helixtrans-60.6-41.3178.7-161.885.1000111.6M307 D308 Q309 Q315M307-L311 WeakPolarHBondContact O-CB 3.31Å; M307-L311 PolarHBondContact O-N 2.71Å; D308-L311 PolarHBondContact O-N 2.96Å; Q309-L311 PolarHBondContact O-N 2.6Å; L311-Q315 WeakPolarHBondContact O-CB 3.24Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.36Å; L311-Q315 PolarHBondContact O-N 3.41Å
312Q85.1Confident79.4Confident120 Ų12092.7 Ų92.756%0.56150%0.498SS*.Hα-helixtrans-69.7-38.6178.7-179.65998.400112.1D308 Q309 L310 S316D308-Q312 VanDerWaalsContact O-CB 3.23Å; D308-Q312 WeakPolarHBondContact O-CB 3.38Å; D308-Q312 PolarHBondContact O-N 2.87Å; Q309-Q312 PolarHBondContact O-N 3.41Å; L310-Q312 VanDerWaalsContact C-N 3.31Å; L310-Q312 PolarHBondContact O-N 3.36Å; Q312-S316 PolarHBondContact O-N 2.88Å
313M80.7Confident78.8Confident32 Ų3296.8 Ų96.816%0.15852%0.516CS..Hα-helixtrans-64.2-50.9173.4-72.2178.174.300110.7Q309 L310 Q315 S316 T317 E328 L329 L332Q309-M313 HydrophobicContact CG-SD 4.34Å; Q309-M313 WeakPolarHBondContact O-CG 3.17Å; Q309-M313 PolarHBondContact O-N 3.4Å; L310-M313 PolarHBondContact O-N 2.87Å; M313-Q315 VanDerWaalsContact C-N 3.29Å; M313-Q315 PolarHBondContact O-N 3.34Å; M313-S316 WeakPolarHBondContact O-CA 3.43Å; M313-S316 WeakPolarHBondContact O-CB 3.27Å; M313-S316 PolarHBondContact O-N 3.05Å; M313-S316 PolarHBondContact O-OG 3.37Å; M313-T317 PolarHBondContact O-N 2.92Å; M313-T317 PolarHBondContact O-OG1 3.32Å; M313-E328 HydrophobicContact CE-CB 4.16Å; M313-E328 HydrophobicContact CE-CG 3.98Å; M313-E328 HydrophobicContact SD-CG 4.24Å; M313-L329 HydrophobicContact CB-CD1 3.85Å; M313-L329 HydrophobicContact CE-CB 4.21Å; M313-L329 HydrophobicContact CE-CD1 4.41Å; M313-L332 HydrophobicContact SD-CD1 3.54Å; M313-L332 VanDerWaalsContact SD-CD1 3.54Å
314L82.1Confident78.1Confident99 Ų99100.3 Ų100.352%0.51854%0.541SS..Hα-helixtrans-56.3-38.2176.5-74.4173.6000113.3L310 S316 L329L310-L314 HydrophobicContact CD1-CD1 4.09Å; L310-L314 HydrophobicContact CD1-CG 4.18Å; L310-L314 HydrophobicContact CG-CD1 4Å; L310-L314 HydrophobicContact CG-CG 4.5Å; L310-L314 WeakPolarHBondContact O-CB 3.49Å; L310-L314 WeakPolarHBondContact O-CG 3.45Å; L310-L314 PolarHBondContact O-N 3.12Å; L314-S316 PolarHBondContact O-N 2.94Å; L314-L329 HydrophobicContact CD2-CD1 4.11Å; L314-L329 HydrophobicContact CD2-CD2 4.41Å; L314-L329 HydrophobicContact CG-CD1 4.19Å
315Q81.1Confident77.5Confident138 Ų13898.1 Ų98.165%0.64553%0.534SS*.Hα-helixtrans-71.4-15.6175-75.7178.333.500114.1L311 M313L311-Q315 WeakPolarHBondContact O-CB 3.24Å; L311-Q315 VanDerWaalsContact O-CG 3.25Å; L311-Q315 WeakPolarHBondContact O-CG 3.36Å; L311-Q315 PolarHBondContact O-N 3.41Å; M313-Q315 VanDerWaalsContact C-N 3.29Å; M313-Q315 PolarHBondContact O-N 3.34Å
316S78.1Confident77.2Confident89 Ų8996.7 Ų96.762%0.62253%0.526SS*.Hα-helixtrans-97.5-16.3-179.374.30000114.1Q312 M313 L314Q312-S316 PolarHBondContact O-N 2.88Å; M313-S316 WeakPolarHBondContact O-CA 3.43Å; M313-S316 WeakPolarHBondContact O-CB 3.27Å; M313-S316 PolarHBondContact O-N 3.05Å; M313-S316 PolarHBondContact O-OG 3.37Å; L314-S316 PolarHBondContact O-N 2.94Å
317T75.9Confident76.8Confident76 Ų7698.8 Ų98.847%0.46655%0.546SS..SBendtrans-74.2131.8179.1-53.40000111.5M313 P319M313-T317 PolarHBondContact O-N 2.92Å; M313-T317 PolarHBondContact O-OG1 3.32Å; T317-P319 WeakPolarHBondContact O-CD 3.41Å
318D71.8Confident76.5Confident96 Ų96100.7 Ų100.751%0.51355%0.554SS.*  trans-82.9116.8172.9-173-16.3000109.9S320 D321D318-S320 PolarHBondContact O-N 3.02Å; D318-S320 WeakPolarHBondContact OD1-CB 3.32Å; D318-S320 PolarHBondContact OD1-N 3.1Å; D318-S320 PolarHBondContact OD1-OG 3.23Å; D318-D321 PolarHBondContact O-N 3.37Å
319P66.1Low76.2Confident130 Ų13096.5 Ų96.584%0.84453%0.532SS*.THydrogen-bonded Turntrans-68.73177.731.7-37.8000113.9T317T317-P319 WeakPolarHBondContact O-CD 3.41Å
320S69.6Low76Confident101 Ų10196.6 Ų96.671%0.70653%0.534SS*.THydrogen-bonded Turntrans-94.1-13.2172.2-36.70000113.3D318D318-S320 PolarHBondContact O-N 3.02Å; D318-S320 WeakPolarHBondContact OD1-CB 3.32Å; D318-S320 PolarHBondContact OD1-N 3.1Å; D318-S320 PolarHBondContact OD1-OG 3.23Å
321D69.6Low75.9Confident106 Ų106100.8 Ų100.857%0.56755%0.553SS**  trans-77.8152178-161.56.2000111.1D318 Q323D318-D321 PolarHBondContact O-N 3.37Å; D321-Q323 PolarHBondContact OD1-N 3.09Å
322N62.7Low75.9Confident169 Ų16996.9 Ų96.990%0.90453%0.533SS*.  trans-122.116-175-1378.5000111
323Q68Low75.9Confident139 Ų13995.4 Ų95.465%0.6553%0.526SS*.SBendtrans-79.4139.2172.1-169.5170.2-27.300109.4D321D321-Q323 PolarHBondContact OD1-N 3.09Å
324P69.3Low76Confident112 Ų11296.7 Ų96.773%0.72754%0.542SS*.PPolyproline II helixtrans-65149.7176.727.2-36.1000111.9
325D73.8Confident76.1Confident100 Ų10094.5 Ų94.554%0.53553%0.529SS..PPolyproline II helixtrans-54.8145.2-178-59.5-73.3000113.4L329 L330D325-L329 HydrophobicContact CB-CD2 4.31Å; D325-L330 HydrophobicContact CB-CD1 4.48Å; D325-L330 HydrophobicContact CB-CD2 4.35Å; D325-L330 HydrophobicContact CB-CG 4.27Å
326L78.2Confident76.3Confident104 Ų10489.1 Ų89.155%0.54551%0.506SS..PPolyproline II helixtrans-66.5139.9176.2-71.6167.7000110.3E328 L329 L330L326-E328 PolarHBondContact O-N 3.2Å; L326-L329 HydrophobicContact CB-CB 4.44Å; L326-L329 VanDerWaalsContact O-CB 3.32Å; L326-L329 WeakPolarHBondContact O-CB 3.14Å; L326-L329 PolarHBondContact O-N 3.36Å; L326-L330 PolarHBondContact O-N 3.15Å
327P74.9Confident76.7Confident104 Ų10491.4 Ų91.468%0.67551%0.507SS*.Hα-helixtrans-62.1-28.2179.225.3-34.2000112.6L330 H331P327-L330 PolarHBondContact O-N 2.89Å; P327-H331 WeakPolarHBondContact O-CB 3.22Å; P327-H331 PolarHBondContact O-N 2.88Å
328E78.9Confident77.2Confident101 Ų10193.1 Ų93.147%0.47251%0.51SS..Hα-helixtrans-62.2-39.1171.6-174.8-179.7-17600112.3Q309 M313 L326 H331 L332Q309-E328 PolarHBondContact NE2-OE1 3.28Å; M313-E328 HydrophobicContact CE-CB 4.16Å; M313-E328 HydrophobicContact CE-CG 3.98Å; M313-E328 HydrophobicContact SD-CG 4.24Å; L326-E328 PolarHBondContact O-N 3.2Å; E328-H331 PolarHBondContact O-N 2.81Å; E328-L332 HydrophobicContact CG-CD1 4.15Å; E328-L332 WeakPolarHBondContact O-CB 3.41Å; E328-L332 WeakPolarHBondContact O-CG 3.27Å; E328-L332 PolarHBondContact O-N 3.4Å
329L80.3Confident77.9Confident14 Ų1488.8 Ų88.87%0.07349%0.487CS..Hα-helixtrans-65.7-47.3177.7-173.571.6000110.8L310 M313 L314 D325 L326 H331 L332 E333L310-L329 HydrophobicContact CD1-CD1 3.65Å; L310-L329 HydrophobicContact CD1-CG 4.49Å; M313-L329 HydrophobicContact CB-CD1 3.85Å; M313-L329 HydrophobicContact CE-CB 4.21Å; M313-L329 HydrophobicContact CE-CD1 4.41Å; L314-L329 HydrophobicContact CD2-CD1 4.11Å; L314-L329 HydrophobicContact CD2-CD2 4.41Å; L314-L329 HydrophobicContact CG-CD1 4.19Å; D325-L329 HydrophobicContact CB-CD2 4.31Å; L326-L329 HydrophobicContact CB-CB 4.44Å; L326-L329 VanDerWaalsContact O-CB 3.32Å; L326-L329 WeakPolarHBondContact O-CB 3.14Å; L326-L329 PolarHBondContact O-N 3.36Å; L329-H331 VanDerWaalsContact C-N 3.31Å; L329-H331 PolarHBondContact O-N 3.31Å; L329-L332 PolarHBondContact O-N 2.85Å; L329-E333 WeakPolarHBondContact O-CB 3.39Å; L329-E333 PolarHBondContact O-N 2.66Å
330L80.4Confident78.9Confident86 Ų8683.8 Ų83.845%0.4546%0.458SS..Hα-helixtrans-64.2-35.4178.4-63.4171.6000112.1D325 L326 P327 A334D325-L330 HydrophobicContact CB-CD1 4.48Å; D325-L330 HydrophobicContact CB-CD2 4.35Å; D325-L330 HydrophobicContact CB-CG 4.27Å; L326-L330 PolarHBondContact O-N 3.15Å; P327-L330 PolarHBondContact O-N 2.89Å; L330-A334 WeakPolarHBondContact O-CB 3.28Å; L330-A334 PolarHBondContact O-N 3.48Å
331H83.3Confident79.9Confident108 Ų10883.1 Ų83.150%0.545%0.451SS..Hα-helixtrans-67.4-48.2174.4-174.776.8000111.5P327 E328 L329 E333 A334 M335P327-H331 WeakPolarHBondContact O-CB 3.22Å; P327-H331 PolarHBondContact O-N 2.88Å; E328-H331 PolarHBondContact O-N 2.81Å; L329-H331 VanDerWaalsContact C-N 3.31Å; L329-H331 PolarHBondContact O-N 3.31Å; H331-E333 PolarHBondContact O-N 3.3Å; H331-A334 PolarHBondContact O-N 2.8Å; H331-M335 WeakPolarHBondContact O-CG 3.35Å; H331-M335 PolarHBondContact O-N 2.83Å
332L83.7Confident80.9Confident10 Ų1080.3 Ų80.35%0.05244%0.436CS..Hα-helixtrans-64.2-38177.4-72.8168.6000112.5K306 Q309 L310 M313 E328 L329 M335 C336K306-L332 HydrophobicContact CB-CD2 4.47Å; Q309-L332 HydrophobicContact CB-CD1 4.47Å; Q309-L332 HydrophobicContact CG-CD1 3.82Å; L310-L332 HydrophobicContact CB-CB 4.23Å; L310-L332 HydrophobicContact CD1-CB 4.1Å; M313-L332 HydrophobicContact SD-CD1 3.54Å; M313-L332 VanDerWaalsContact SD-CD1 3.54Å; E328-L332 HydrophobicContact CG-CD1 4.15Å; E328-L332 WeakPolarHBondContact O-CB 3.41Å; E328-L332 WeakPolarHBondContact O-CG 3.27Å; E328-L332 PolarHBondContact O-N 3.4Å; L329-L332 PolarHBondContact O-N 2.85Å; L332-M335 PolarHBondContact O-N 3.07Å; L332-C336 WeakPolarHBondContact O-CB 3.07Å; L332-C336 PolarHBondContact O-N 2.83Å; L332-C336 PolarHBondContact O-SG 3.16Å
333E85.4Confident82.2Confident90 Ų9074.6 Ų74.642%0.42141%0.405SS..Hα-helixtrans-59.3-48.6171.7177.8175.7-134.600111.3L310 L329 H331 M335 C336 H337L310-E333 HydrophobicContact CD1-CB 4.4Å; L329-E333 WeakPolarHBondContact O-CB 3.39Å; L329-E333 PolarHBondContact O-N 2.66Å; H331-E333 PolarHBondContact O-N 3.3Å; E333-M335 PolarHBondContact O-N 3.35Å; E333-C336 PolarHBondContact O-N 3.26Å; E333-H337 PolarHBondContact O-CD2 2.74Å; E333-H337 PolarHBondContact O-N 2.93Å
334A83.7Confident83.3Confident59 Ų5973.1 Ų73.149%0.48840%0.402SS..Hα-helixtrans-61.1-41.7176.900000112.5L330 H331 H337 Q338L330-A334 WeakPolarHBondContact O-CB 3.28Å; L330-A334 PolarHBondContact O-N 3.48Å; H331-A334 PolarHBondContact O-N 2.8Å; A334-H337 PolarHBondContact O-N 3.46Å; A334-Q338 PolarHBondContact O-N 2.76Å
335M83.6Confident84.4Confident53 Ų5372.4 Ų72.426%0.26139%0.389SS..Hα-helixtrans-62.8-43.8174.1-66.9-165.387.700111.9K306 H331 L332 E333 H337 Q338 M339K306-M335 HydrophobicContact CD-CE 3.9Å; K306-M335 HydrophobicContact CD-SD 3.75Å; H331-M335 WeakPolarHBondContact O-CG 3.35Å; H331-M335 PolarHBondContact O-N 2.83Å; L332-M335 PolarHBondContact O-N 3.07Å; E333-M335 PolarHBondContact O-N 3.35Å; M335-H337 PolarHBondContact O-N 2.72Å; M335-Q338 WeakPolarHBondContact O-CB 3.45Å; M335-Q338 PolarHBondContact O-N 3.28Å; M335-Q338 VanDerWaalsContact O-N 3.12Å; M335-M339 WeakPolarHBondContact O-CG 3.5Å; M335-M339 PolarHBondContact O-N 2.88Å
336C85.8Confident85.3Confident24 Ų2471.8 Ų71.816%0.16238%0.381CS..Hα-helixtrans-65.9-38.4178.9-66.90000112.2L310 L332 E333 Q338 M339 G340L310-C336 HydrophobicContact CD2-CB 3.71Å; L310-C336 WeakPolarHBondContact CD2-SG 3.42Å; L332-C336 WeakPolarHBondContact O-CB 3.07Å; L332-C336 PolarHBondContact O-N 2.83Å; L332-C336 PolarHBondContact O-SG 3.16Å; E333-C336 PolarHBondContact O-N 3.26Å; C336-Q338 VanDerWaalsContact C-N 3.3Å; C336-Q338 PolarHBondContact O-N 3.12Å; C336-M339 HydrophobicContact CB-CE 4.3Å; C336-M339 PolarHBondContact O-N 3.22Å; C336-G340 PolarHBondContact O-N 3.33Å; C336-G340 VanDerWaalsContact O-N 3.16Å
337H85.8Confident86.1Confident137 Ų13771.2 Ų71.263%0.63438%0.378SS*.Hα-helixtrans-62.7-34.9170.5-85.6-61.5000113.1E333 A334 M335 P341E333-H337 PolarHBondContact O-CD2 2.74Å; E333-H337 PolarHBondContact O-N 2.93Å; A334-H337 PolarHBondContact O-N 3.46Å; M335-H337 PolarHBondContact O-N 2.72Å; H337-P341 WeakPolarHBondContact O-CD 3.47Å
338Q87.2Confident87Confident112 Ų11272.7 Ų72.752%0.52338%0.376SS..Hα-helixtrans-72-30.3175.7-163.2179.638.700112.8A300 A334 M335 C336A300-Q338 HydrophobicContact CB-CG 3.98Å; A334-Q338 PolarHBondContact O-N 2.76Å; M335-Q338 WeakPolarHBondContact O-CB 3.45Å; M335-Q338 PolarHBondContact O-N 3.28Å; M335-Q338 VanDerWaalsContact O-N 3.12Å; C336-Q338 VanDerWaalsContact C-N 3.3Å; C336-Q338 PolarHBondContact O-N 3.12Å
339M86.7Confident87.8Confident6 Ų669.9 Ų69.93%0.0337%0.365CS..Hα-helixtrans-74.5-29.6175.8-69-173.6-6800113.4F301 D303 K306 M307 M335 C336 L342 I343F301-M339 WeakPolarHBondContact O-CG 3.38Å; D303-M339 HydrophobicContact CB-SD 3.99Å; D303-M339 PolarHBondContact N-SD 3.34Å; K306-M339 HydrophobicContact CB-CE 4.28Å; M307-M339 HydrophobicContact CG-CE 3.6Å; M307-M339 HydrophobicContact SD-CE 4.3Å; M335-M339 WeakPolarHBondContact O-CG 3.5Å; M335-M339 PolarHBondContact O-N 2.88Å; C336-M339 HydrophobicContact CB-CE 4.3Å; C336-M339 PolarHBondContact O-N 3.22Å; M339-L342 WeakPolarHBondContact O-CB 3.39Å; M339-L342 PolarHBondContact O-N 3.37Å; M339-I343 HydrophobicContact CB-CD1 4.31Å; M339-I343 WeakPolarHBondContact O-CG1 3.29Å; M339-I343 PolarHBondContact O-N 3.4Å
340G86.9Confident88.5Confident24 Ų2474 Ų7425%0.24739%0.386CS..Hα-helixtrans-46.8-57.3-177.700000114.9C336 L342 I343 D344C336-G340 PolarHBondContact O-N 3.33Å; C336-G340 VanDerWaalsContact O-N 3.16Å; G340-L342 PolarHBondContact O-N 3.14Å; G340-I343 WeakPolarHBondContact O-CB 3.47Å; G340-I343 PolarHBondContact O-N 2.83Å; G340-D344 PolarHBondContact O-N 2.79Å
341P90.1Very high89.3Confident87 Ų8775.2 Ų75.257%0.56539%0.392SS*.Hα-helixtrans-59.7-28.2179-2635.4000114.6H337 E345H337-P341 WeakPolarHBondContact O-CD 3.47Å; P341-E345 PolarHBondContact O-N 3.37Å; P341-E345 VanDerWaalsContact O-N 3.09Å
342L89.3Confident89.9Confident47 Ų4775.2 Ų75.225%0.24639%0.388CS..Hα-helixtrans-76-36.1176.3-59.6172.2000111.3A300 I302 M339 G340 K346A300-L342 HydrophobicContact CB-CD1 3.75Å; A300-L342 WeakPolarHBondContact O-CD1 3.34Å; I302-L342 HydrophobicContact CD1-CB 4.11Å; I302-L342 HydrophobicContact CG1-CB 3.93Å; M339-L342 WeakPolarHBondContact O-CB 3.39Å; M339-L342 PolarHBondContact O-N 3.37Å; G340-L342 PolarHBondContact O-N 3.14Å; L342-K346 VanDerWaalsContact O-CG 3.26Å; L342-K346 WeakPolarHBondContact O-CG 3.43Å; L342-K346 PolarHBondContact O-N 3.15Å
343I90.8Very high90.5Very high49 Ų4979.8 Ų79.825%0.25141%0.407SS..Hα-helixtrans-63.9-47.4173.3-64.1164.6000109.4I302 M307 M339 G340 E345 K346 L347I302-I343 HydrophobicContact CB-CG1 4.49Å; I302-I343 HydrophobicContact CD1-CG1 3.87Å; I302-I343 HydrophobicContact CG1-CG1 3.96Å; I302-I343 HydrophobicContact CG2-CD1 4.15Å; I302-I343 HydrophobicContact CG2-CG1 3.72Å; M307-I343 HydrophobicContact CE-CD1 4.27Å; M307-I343 HydrophobicContact SD-CD1 3.84Å; M339-I343 HydrophobicContact CB-CD1 4.31Å; M339-I343 WeakPolarHBondContact O-CG1 3.29Å; M339-I343 PolarHBondContact O-N 3.4Å; G340-I343 WeakPolarHBondContact O-CB 3.47Å; G340-I343 PolarHBondContact O-N 2.83Å; I343-E345 PolarHBondContact O-N 3.21Å; I343-K346 PolarHBondContact O-N 3.37Å; I343-K346 VanDerWaalsContact O-N 3.12Å; I343-L347 HydrophobicContact CG2-CD1 3.99Å; I343-L347 HydrophobicContact CG2-CG 4.35Å; I343-L347 WeakPolarHBondContact O-CG 3.46Å; I343-L347 PolarHBondContact O-N 3.49Å
344D91.6Very high91.1Very high108 Ų10881.4 Ų81.458%0.57842%0.415SS*.Hα-helixtrans-57.3-47.6176.1-69.8-29.3000111.7G340 K346 L347 E348G340-D344 PolarHBondContact O-N 2.79Å; D344-K346 VanDerWaalsContact C-N 3.32Å; D344-K346 PolarHBondContact O-N 2.88Å; D344-L347 PolarHBondContact O-N 3.24Å; D344-E348 PolarHBondContact O-N 2.97Å
345E93Very high91.7Very high98 Ų9882.3 Ų82.346%0.45842%0.418SS..Hα-helixtrans-57.9-43.4175.2-167.2-149.8118.400111.4P341 I343 E348 D349P341-E345 PolarHBondContact O-N 3.37Å; P341-E345 VanDerWaalsContact O-N 3.09Å; I343-E345 PolarHBondContact O-N 3.21Å; E345-E348 PolarHBondContact O-N 3.04Å; E345-D349 WeakPolarHBondContact O-CB 3.49Å; E345-D349 PolarHBondContact O-N 3.28Å
346K91.8Very high92.3Very high86 Ų8685.2 Ų85.237%0.37443%0.43SS..Hα-helixtrans-71.6-29.7179.6-66.8-64.6159.1-64.10113.1I302 L342 I343 D344 D349 I350I302-K346 HydrophobicContact CD1-CB 4.32Å; I302-K346 HydrophobicContact CD1-CG 3.79Å; L342-K346 VanDerWaalsContact O-CG 3.26Å; L342-K346 WeakPolarHBondContact O-CG 3.43Å; L342-K346 PolarHBondContact O-N 3.15Å; I343-K346 PolarHBondContact O-N 3.37Å; I343-K346 VanDerWaalsContact O-N 3.12Å; D344-K346 VanDerWaalsContact C-N 3.32Å; D344-K346 PolarHBondContact O-N 2.88Å; K346-D349 PolarHBondContact O-N 3.5Å; K346-I350 WeakPolarHBondContact O-CD1 3.39Å; K346-I350 VanDerWaalsContact O-CG1 3.25Å; K346-I350 WeakPolarHBondContact O-CG1 3.07Å; K346-I350 PolarHBondContact O-N 2.89Å
347L94.2Very high92.8Very high93 Ų9389.7 Ų89.749%0.48745%0.452SS..Hα-helixtrans-68-46.9172.6-72171.6000111.1I343 D344 D349 I350 D351I343-L347 HydrophobicContact CG2-CD1 3.99Å; I343-L347 HydrophobicContact CG2-CG 4.35Å; I343-L347 WeakPolarHBondContact O-CG 3.46Å; I343-L347 PolarHBondContact O-N 3.49Å; D344-L347 PolarHBondContact O-N 3.24Å; L347-D349 PolarHBondContact O-N 2.98Å; L347-I350 PolarHBondContact O-N 3.23Å; L347-D351 PolarHBondContact O-N 3.05Å
348E94.9Very high93.4Very high135 Ų13586 Ų8663%0.63144%0.442SS*.Hα-helixtrans-58.6-39.9172.6-170.4-174.2163.700111D344 E345 I350 D351 R352D344-E348 PolarHBondContact O-N 2.97Å; E345-E348 PolarHBondContact O-N 3.04Å; E348-I350 VanDerWaalsContact C-N 3.28Å; E348-I350 PolarHBondContact O-N 2.94Å; E348-D351 PolarHBondContact O-N 3.46Å; E348-R352 VanDerWaalsContact O-CB 3.28Å; E348-R352 WeakPolarHBondContact O-CB 3.33Å; E348-R352 PolarHBondContact O-N 3.44Å
349D94.3Very high93.8Very high42 Ų4286 Ų8623%0.22544%0.442CS..Hα-helixtrans-64.1-29.3175.8-129.257.2000113.4E345 K346 L347 R352 K353E345-D349 WeakPolarHBondContact O-CB 3.49Å; E345-D349 PolarHBondContact O-N 3.28Å; K346-D349 PolarHBondContact O-N 3.5Å; L347-D349 PolarHBondContact O-N 2.98Å; D349-R352 IonicContact OD1-CZ 2.67Å; D349-R352 IonicContact OD1-NH1 2.86Å; D349-R352 PolarHBondContact OD1-NH1 3.15Å; D349-R352 IonicContact OD1-NH2 3.75Å; D349-R352 PolarHBondContact OD1-NH2 3.13Å; D349-R352 IonicContact OD2-NH2 3.89Å; D349-K353 VanDerWaalsContact O-CG 3.28Å; D349-K353 WeakPolarHBondContact O-CG 3.29Å; D349-K353 PolarHBondContact O-NZ 2.84Å; D349-K353 IonicContact OD2-NZ 2.67Å; D349-K353 PolarHBondContact OD2-NZ 3.31Å
350I96.4Very high94.4Very high100 Ų10090.4 Ų90.451%0.51347%0.465SS..Hα-helixtrans-80.7-47.5176.2-73.5163.7000110.5K346 L347 E348 R352 K353 H354K346-I350 WeakPolarHBondContact O-CD1 3.39Å; K346-I350 VanDerWaalsContact O-CG1 3.25Å; K346-I350 WeakPolarHBondContact O-CG1 3.07Å; K346-I350 PolarHBondContact O-N 2.89Å; L347-I350 PolarHBondContact O-N 3.23Å; E348-I350 VanDerWaalsContact C-N 3.28Å; E348-I350 PolarHBondContact O-N 2.94Å; I350-R352 VanDerWaalsContact C-N 3.29Å; I350-R352 PolarHBondContact O-N 3.27Å; I350-K353 PolarHBondContact O-N 2.73Å; I350-K353 VanDerWaalsContact O-N 3.15Å; I350-H354 WeakPolarHBondContact O-CB 3.38Å; I350-H354 PolarHBondContact O-N 2.68Å
351D96.3Very high94.8Very high111 Ų11193.5 Ų93.559%0.59448%0.476SS*.Hα-helixtrans-60.8-38.8179.2-86.3-14000111.8L347 E348 H354 S355L347-D351 PolarHBondContact O-N 3.05Å; E348-D351 PolarHBondContact O-N 3.46Å; D351-H354 PolarHBondContact O-N 3.36Å; D351-S355 WeakPolarHBondContact O-CB 3.45Å; D351-S355 PolarHBondContact O-N 3.16Å
352R96.5Very high95.2Very high109 Ų10992.8 Ų92.841%0.41147%0.47SS..Hα-helixtrans-61.1-47.6173.9-166.7170.972.8-107.50111.9E348 D349 I350 H354 S355 E356E348-R352 VanDerWaalsContact O-CB 3.28Å; E348-R352 WeakPolarHBondContact O-CB 3.33Å; E348-R352 PolarHBondContact O-N 3.44Å; D349-R352 IonicContact OD1-CZ 2.67Å; D349-R352 IonicContact OD1-NH1 2.86Å; D349-R352 PolarHBondContact OD1-NH1 3.15Å; D349-R352 IonicContact OD1-NH2 3.75Å; D349-R352 PolarHBondContact OD1-NH2 3.13Å; D349-R352 IonicContact OD2-NH2 3.89Å; I350-R352 VanDerWaalsContact C-N 3.29Å; I350-R352 PolarHBondContact O-N 3.27Å; R352-H354 VanDerWaalsContact C-N 3.35Å; R352-H354 PolarHBondContact O-N 3.38Å; R352-S355 WeakPolarHBondContact O-CB 3.48Å; R352-S355 PolarHBondContact O-N 2.65Å; R352-E356 WeakPolarHBondContact O-CG 3.47Å; R352-E356 PolarHBondContact O-N 2.9Å
353K96Very high95.6Very high105 Ų10595.1 Ų95.146%0.45748%0.478SS..Hα-helixtrans-64.6-37.1176.1-69.6179.3-160.982.40112.3D349 I350 L357D349-K353 VanDerWaalsContact O-CG 3.28Å; D349-K353 WeakPolarHBondContact O-CG 3.29Å; D349-K353 PolarHBondContact O-NZ 2.84Å; D349-K353 IonicContact OD2-NZ 2.67Å; D349-K353 PolarHBondContact OD2-NZ 3.31Å; I350-K353 PolarHBondContact O-N 2.73Å; I350-K353 VanDerWaalsContact O-N 3.15Å; K353-L357 VanDerWaalsContact O-CB 3.29Å; K353-L357 WeakPolarHBondContact O-CB 3.49Å; K353-L357 PolarHBondContact O-N 3.13Å
354H97.3Very high95.9Very high124 Ų12496.1 Ų96.157%0.57449%0.486SS*.Hα-helixtrans-67.2-40.9176.4179.8-109.9000111.6I350 D351 R352 L357 S358I350-H354 WeakPolarHBondContact O-CB 3.38Å; I350-H354 PolarHBondContact O-N 2.68Å; D351-H354 PolarHBondContact O-N 3.36Å; R352-H354 VanDerWaalsContact C-N 3.35Å; R352-H354 PolarHBondContact O-N 3.38Å; H354-L357 PolarHBondContact O-N 2.77Å; H354-S358 VanDerWaalsContact O-CB 3.23Å; H354-S358 WeakPolarHBondContact O-CB 3.15Å; H354-S358 PolarHBondContact O-N 3.18Å
355S96.6Very high96.1Very high79 Ų7996.5 Ų96.555%0.55249%0.486SS*.Hα-helixtrans-61.3-48.9173.2-171.10000111.9D351 R352 L357 S358 E359D351-S355 WeakPolarHBondContact O-CB 3.45Å; D351-S355 PolarHBondContact O-N 3.16Å; R352-S355 WeakPolarHBondContact O-CB 3.48Å; R352-S355 PolarHBondContact O-N 2.65Å; S355-L357 PolarHBondContact O-N 2.7Å; S355-S358 PolarHBondContact O-N 2.8Å; S355-E359 WeakPolarHBondContact O-CB 3.24Å; S355-E359 PolarHBondContact O-N 3.13Å
356E96.8Very high96.2Very high113 Ų11397.7 Ų97.753%0.52849%0.491SS..Hα-helixtrans-58.5-45175.5-73.2173.1-161.200112.3R352 E359 L360R352-E356 WeakPolarHBondContact O-CG 3.47Å; R352-E356 PolarHBondContact O-N 2.9Å; E356-E359 PolarHBondContact O-N 2.64Å; E356-L360 WeakPolarHBondContact O-CB 3.46Å; E356-L360 PolarHBondContact O-N 3.04Å
357L97.1Very high96.4Very high118 Ų11896.3 Ų96.362%0.61850%0.496SS*.Hα-helixtrans-67.4-37.9178.7-177.461.1000112.2K353 H354 S355 L360 N361K353-L357 VanDerWaalsContact O-CB 3.29Å; K353-L357 WeakPolarHBondContact O-CB 3.49Å; K353-L357 PolarHBondContact O-N 3.13Å; H354-L357 PolarHBondContact O-N 2.77Å; S355-L357 PolarHBondContact O-N 2.7Å; L357-L360 PolarHBondContact O-N 3.34Å; L357-N361 WeakPolarHBondContact O-CB 3.41Å; L357-N361 PolarHBondContact O-N 2.73Å
358S97.2Very high96.5Very high60 Ų6096.8 Ų96.842%0.4250%0.499SS..Hα-helixtrans-65.5-46175.4-172.70000111.3H354 S355 L360 N361 V362H354-S358 VanDerWaalsContact O-CB 3.23Å; H354-S358 WeakPolarHBondContact O-CB 3.15Å; H354-S358 PolarHBondContact O-N 3.18Å; S355-S358 PolarHBondContact O-N 2.8Å; S358-L360 VanDerWaalsContact C-N 3.33Å; S358-L360 PolarHBondContact O-N 3.15Å; S358-N361 PolarHBondContact O-N 3.12Å; S358-V362 WeakPolarHBondContact O-CG2 3.38Å; S358-V362 PolarHBondContact O-N 3.45Å
359E97.1Very high96.4Very high111 Ų11193.8 Ų93.852%0.51949%0.492SS..Hα-helixtrans-62.6-39.5176.1-158.5-145.4176.300111.6S355 E356 V362 K363S355-E359 WeakPolarHBondContact O-CB 3.24Å; S355-E359 PolarHBondContact O-N 3.13Å; E356-E359 PolarHBondContact O-N 2.64Å; E359-V362 PolarHBondContact O-N 3.42Å; E359-K363 VanDerWaalsContact CD-CE 3.41Å; E359-K363 WeakPolarHBondContact O-CD 3.38Å; E359-K363 VanDerWaalsContact O-CG 3.29Å; E359-K363 WeakPolarHBondContact O-CG 3.22Å; E359-K363 PolarHBondContact O-N 2.73Å; E359-K363 WeakPolarHBondContact OE1-CE 3.39Å; E359-K363 IonicContact OE1-NZ 3.37Å; E359-K363 PolarHBondContact OE1-NZ 2.76Å; E359-K363 IonicContact OE2-NZ 2.71Å; E359-K363 PolarHBondContact OE2-NZ 3.11Å
360L97.3Very high96.3Very high100 Ų10096.5 Ų96.552%0.52451%0.506SS..Hα-helixtrans-64.9-42173.4-177.860.7000112E356 L357 S358 K363 V364E356-L360 WeakPolarHBondContact O-CB 3.46Å; E356-L360 PolarHBondContact O-N 3.04Å; L357-L360 PolarHBondContact O-N 3.34Å; S358-L360 VanDerWaalsContact C-N 3.33Å; S358-L360 PolarHBondContact O-N 3.15Å; L360-K363 PolarHBondContact O-N 2.94Å; L360-V364 WeakPolarHBondContact O-CG2 3.42Å; L360-V364 PolarHBondContact O-N 2.91Å
361N97.1Very high96.2Very high88 Ų8898.2 Ų98.247%0.47151%0.507SS..Hα-helixtrans-63-42176.1-179.360.2000111.8L357 S358 K363 V364 M365L357-N361 WeakPolarHBondContact O-CB 3.41Å; L357-N361 PolarHBondContact O-N 2.73Å; S358-N361 PolarHBondContact O-N 3.12Å; N361-K363 PolarHBondContact O-N 2.75Å; N361-V364 PolarHBondContact O-N 2.72Å; N361-M365 WeakPolarHBondContact O-CG 3.41Å; N361-M365 PolarHBondContact O-N 2.9Å
362V97.8Very high95.9Very high73 Ų7396.2 Ų96.244%0.44250%0.499SS..Hα-helixtrans-58-49172.4171.20000110.7S358 E359 V364 M365 E366S358-V362 WeakPolarHBondContact O-CG2 3.38Å; S358-V362 PolarHBondContact O-N 3.45Å; E359-V362 PolarHBondContact O-N 3.42Å; V362-V364 VanDerWaalsContact C-N 3.29Å; V362-V364 PolarHBondContact O-N 3.45Å; V362-M365 PolarHBondContact O-N 3.11Å; V362-M365 VanDerWaalsContact O-N 3.13Å; V362-E366 HydrophobicContact CG1-CG 4.42Å; V362-E366 WeakPolarHBondContact O-CG 3.42Å; V362-E366 PolarHBondContact O-N 3.12Å
363K96.7Very high95.7Very high96 Ų9697 Ų9742%0.41751%0.506SS..Hα-helixtrans-59.1-37.1177-70.3162.7-176.8170.10112.8E359 L360 N361 A367E359-K363 VanDerWaalsContact CD-CE 3.41Å; E359-K363 WeakPolarHBondContact O-CD 3.38Å; E359-K363 VanDerWaalsContact O-CG 3.29Å; E359-K363 WeakPolarHBondContact O-CG 3.22Å; E359-K363 PolarHBondContact O-N 2.73Å; E359-K363 WeakPolarHBondContact OE1-CE 3.39Å; E359-K363 IonicContact OE1-NZ 3.37Å; E359-K363 PolarHBondContact OE1-NZ 2.76Å; E359-K363 IonicContact OE2-NZ 2.71Å; E359-K363 PolarHBondContact OE2-NZ 3.11Å; L360-K363 PolarHBondContact O-N 2.94Å; N361-K363 PolarHBondContact O-N 2.75Å; K363-A367 WeakPolarHBondContact O-CB 3.48Å; K363-A367 PolarHBondContact O-N 3.35Å
364V97.6Very high95.4Very high69 Ų6997.2 Ų97.242%0.41851%0.511SS..Hα-helixtrans-68.4-43.4174.8169.70000111.2L360 N361 V362 A367 L368L360-V364 WeakPolarHBondContact O-CG2 3.42Å; L360-V364 PolarHBondContact O-N 2.91Å; N361-V364 PolarHBondContact O-N 2.72Å; V362-V364 VanDerWaalsContact C-N 3.29Å; V362-V364 PolarHBondContact O-N 3.45Å; V364-A367 PolarHBondContact O-N 2.97Å; V364-L368 HydrophobicContact CG1-CD1 3.95Å; V364-L368 HydrophobicContact CG1-CG 4.42Å; V364-L368 WeakPolarHBondContact O-CB 3.33Å; V364-L368 VanDerWaalsContact O-CG 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 3.25Å
365M96Very high94.7Very high117 Ų11797.2 Ų97.258%0.57651%0.513SS*.Hα-helixtrans-63.5-42175.6-70.5-178.668.700112N361 V362 L368 S369N361-M365 WeakPolarHBondContact O-CG 3.41Å; N361-M365 PolarHBondContact O-N 2.9Å; V362-M365 PolarHBondContact O-N 3.11Å; V362-M365 VanDerWaalsContact O-N 3.13Å; M365-L368 PolarHBondContact O-N 3.43Å; M365-S369 WeakPolarHBondContact O-CB 3.31Å; M365-S369 PolarHBondContact O-N 3.4Å
366E96.3Very high93.9Very high122 Ų12299.7 Ų99.757%0.5752%0.52SS*.Hα-helixtrans-58.8-51172.4-73.8-173.3156.900111.2V362 L368 S369 L370V362-E366 HydrophobicContact CG1-CG 4.42Å; V362-E366 WeakPolarHBondContact O-CG 3.42Å; V362-E366 PolarHBondContact O-N 3.12Å; E366-L368 PolarHBondContact O-N 2.9Å; E366-S369 PolarHBondContact O-N 2.88Å; E366-S369 VanDerWaalsContact O-N 3.17Å; E366-S369 PolarHBondContact O-OG 2.74Å; E366-L370 WeakPolarHBondContact O-CB 3.43Å; E366-L370 PolarHBondContact O-N 3.42Å
367A95.4Very high92.6Very high57 Ų5799.6 Ų99.647%0.47152%0.52SS..Hα-helixtrans-59.8-41.3178.400000113K363 V364 L370 Y371K363-A367 WeakPolarHBondContact O-CB 3.48Å; K363-A367 PolarHBondContact O-N 3.35Å; V364-A367 PolarHBondContact O-N 2.97Å; A367-L370 PolarHBondContact O-N 2.89Å; A367-Y371 WeakPolarHBondContact O-CB 3.4Å; A367-Y371 PolarHBondContact O-N 3.17Å
368L95.1Very high91Very high103 Ų10399.9 Ų99.954%0.53952%0.522SS..Hα-helixtrans-67.2-37.8175.4-72.8172.4000112.2V364 M365 E366 T372V364-L368 HydrophobicContact CG1-CD1 3.95Å; V364-L368 HydrophobicContact CG1-CG 4.42Å; V364-L368 WeakPolarHBondContact O-CB 3.33Å; V364-L368 VanDerWaalsContact O-CG 3.31Å; V364-L368 WeakPolarHBondContact O-CG 3.45Å; V364-L368 PolarHBondContact O-N 3.25Å; M365-L368 PolarHBondContact O-N 3.43Å; E366-L368 PolarHBondContact O-N 2.9Å; L368-T372 VanDerWaalsContact O-CB 3.31Å; L368-T372 WeakPolarHBondContact O-CB 3.26Å; L368-T372 PolarHBondContact O-N 2.89Å; L368-T372 PolarHBondContact O-OG1 3.21Å
369S93.9Very high89.3Confident72 Ų72101.6 Ų101.650%0.50353%0.532SS..Hα-helixtrans-66.6-38.7174.678.40000111.8M365 E366 T372 K373M365-S369 WeakPolarHBondContact O-CB 3.31Å; M365-S369 PolarHBondContact O-N 3.4Å; E366-S369 PolarHBondContact O-N 2.88Å; E366-S369 VanDerWaalsContact O-N 3.17Å; E366-S369 PolarHBondContact O-OG 2.74Å; S369-T372 PolarHBondContact O-N 3.29Å; S369-K373 WeakPolarHBondContact O-CB 3.49Å; S369-K373 PolarHBondContact O-N 3.39Å
370L92.9Very high87.3Confident99 Ų99102 Ų10252%0.51854%0.535SS..Hα-helixtrans-68.4-43.6176.4178.961.6000111.2E366 A367 K373 L374E366-L370 WeakPolarHBondContact O-CB 3.43Å; E366-L370 PolarHBondContact O-N 3.42Å; A367-L370 PolarHBondContact O-N 2.89Å; L370-K373 PolarHBondContact O-N 2.84Å; L370-L374 HydrophobicContact CD1-CD1 4.13Å; L370-L374 HydrophobicContact CD1-CG 4.26Å; L370-L374 HydrophobicContact CG-CD1 4.04Å; L370-L374 WeakPolarHBondContact O-CB 3.31Å; L370-L374 VanDerWaalsContact O-CG 3.31Å; L370-L374 WeakPolarHBondContact O-CG 3.36Å; L370-L374 PolarHBondContact O-N 3.39Å
371Y93.1Very high85.2Confident136 Ų136105.9 Ų105.953%0.53354%0.544SS..Hα-helixtrans-58.1-48.7171.8173.1-92.9000111.3A367 K373 L374 M375A367-Y371 WeakPolarHBondContact O-CB 3.4Å; A367-Y371 PolarHBondContact O-N 3.17Å; Y371-K373 VanDerWaalsContact C-N 3.3Å; Y371-K373 PolarHBondContact O-N 2.88Å; Y371-L374 PolarHBondContact O-N 3.29Å; Y371-M375 HydrophobicContact CD1-CG 4.35Å; Y371-M375 HydrophobicContact CD2-CE 4.33Å; Y371-M375 HydrophobicContact CD2-CG 4.34Å; Y371-M375 HydrophobicContact CE1-CG 3.93Å; Y371-M375 HydrophobicContact CE2-CE 3.51Å; Y371-M375 HydrophobicContact CE2-CG 3.94Å; Y371-M375 WeakPolarHBondContact O-CB 3.45Å; Y371-M375 WeakPolarHBondContact O-CG 3.27Å; Y371-M375 PolarHBondContact O-N 3.03Å
372T90.8Very high83.2Confident69 Ų69103.8 Ų103.842%0.42354%0.536SS..Hα-helixtrans-60.6-40177.7-58.30000111.4L368 S369 N376L368-T372 VanDerWaalsContact O-CB 3.31Å; L368-T372 WeakPolarHBondContact O-CB 3.26Å; L368-T372 PolarHBondContact O-N 2.89Å; L368-T372 PolarHBondContact O-OG1 3.21Å; S369-T372 PolarHBondContact O-N 3.29Å; T372-N376 WeakPolarHBondContact CG2-ND2 3.31Å; T372-N376 VanDerWaalsContact O-CB 3.27Å; T372-N376 WeakPolarHBondContact O-CB 3.45Å; T372-N376 VanDerWaalsContact O-CG 3.23Å; T372-N376 PolarHBondContact O-N 2.89Å; T372-N376 PolarHBondContact O-ND2 3.38Å
373K91.5Very high81Confident126 Ų126106.4 Ų106.455%0.54855%0.545SS..Hα-helixtrans-63.6-49174.4-175.8-178.8175.5-1740111.6S369 L370 Y371 M375 N376 E377S369-K373 WeakPolarHBondContact O-CB 3.49Å; S369-K373 PolarHBondContact O-N 3.39Å; L370-K373 PolarHBondContact O-N 2.84Å; Y371-K373 VanDerWaalsContact C-N 3.3Å; Y371-K373 PolarHBondContact O-N 2.88Å; K373-M375 VanDerWaalsContact C-N 3.29Å; K373-M375 PolarHBondContact O-N 3.23Å; K373-N376 CarbonylContact O-C 3.55Å; K373-N376 PolarHBondContact O-N 3.19Å; K373-E377 VanDerWaalsContact CE-OE1 3.26Å; K373-E377 WeakPolarHBondContact CE-OE1 3.41Å; K373-E377 PolarHBondContact O-N 3.3Å
374L89.5Confident79Confident109 Ų109109.2 Ų109.257%0.57155%0.554SS**Hα-helixtrans-67-28-179.2-70.8169.7000113.2L370 Y371L370-L374 HydrophobicContact CD1-CD1 4.13Å; L370-L374 HydrophobicContact CD1-CG 4.26Å; L370-L374 HydrophobicContact CG-CD1 4.04Å; L370-L374 WeakPolarHBondContact O-CB 3.31Å; L370-L374 VanDerWaalsContact O-CG 3.31Å; L370-L374 WeakPolarHBondContact O-CG 3.36Å; L370-L374 PolarHBondContact O-N 3.39Å; Y371-L374 PolarHBondContact O-N 3.29Å
375M83.9Confident76.9Confident125 Ų125108.5 Ų108.562%0.61656%0.555SS**Hα-helixtrans-82-22.7173.6-71.5-65.2171.600113.5Y371 K373Y371-M375 HydrophobicContact CD1-CG 4.35Å; Y371-M375 HydrophobicContact CD2-CE 4.33Å; Y371-M375 HydrophobicContact CD2-CG 4.34Å; Y371-M375 HydrophobicContact CE1-CG 3.93Å; Y371-M375 HydrophobicContact CE2-CE 3.51Å; Y371-M375 HydrophobicContact CE2-CG 3.94Å; Y371-M375 WeakPolarHBondContact O-CB 3.45Å; Y371-M375 WeakPolarHBondContact O-CG 3.27Å; Y371-M375 PolarHBondContact O-N 3.03Å; K373-M375 VanDerWaalsContact C-N 3.29Å; K373-M375 PolarHBondContact O-N 3.23Å
376N78.9Confident74.8Confident130 Ų130110.7 Ų110.770%0.69556%0.562SS**Hα-helixtrans-96.5-8.3175.8-69.7-24.8000113.5T372 K373 D378T372-N376 WeakPolarHBondContact CG2-ND2 3.31Å; T372-N376 VanDerWaalsContact O-CB 3.27Å; T372-N376 WeakPolarHBondContact O-CB 3.45Å; T372-N376 VanDerWaalsContact O-CG 3.23Å; T372-N376 PolarHBondContact O-N 2.89Å; T372-N376 PolarHBondContact O-ND2 3.38Å; K373-N376 CarbonylContact O-C 3.55Å; K373-N376 PolarHBondContact O-N 3.19Å; N376-D378 PolarHBondContact O-N 2.87Å
377E70Confident72.7Confident111 Ų111110.2 Ų110.252%0.51956%0.562SS.*SBendtrans-72.7111.2164.6-82.1-175.8179.500109K373K373-E377 VanDerWaalsContact CE-OE1 3.26Å; K373-E377 WeakPolarHBondContact CE-OE1 3.41Å; K373-E377 PolarHBondContact O-N 3.3Å
378D62.7Low70.5Confident125 Ų125114.9 Ų114.967%0.66857%0.574SS**  trans-45.5126.7175.5-121.8-31.3000110.8N376 M380N376-D378 PolarHBondContact O-N 2.87Å; D378-M380 PolarHBondContact O-N 2.7Å
379P61.7Low68.3Low96 Ų96116.5 Ų116.562%0.62358%0.584SS**  trans-52.6138.1171.5-26.434.6000110.5Y381 S382P379-Y381 PolarHBondContact O-N 3.36Å; P379-S382 PolarHBondContact O-N 3.02Å
380M54.1Low66Low119 Ų119120.5 Ų120.559%0.58659%0.594SS**THydrogen-bonded Turntrans-52.2-11.5-174.1-119.4-74.797.700115.3D378 S382 M383D378-M380 PolarHBondContact O-N 2.7Å; M380-S382 VanDerWaalsContact C-N 3.31Å; M380-S382 PolarHBondContact O-N 2.9Å; M380-M383 HydrophobicContact CE-CB 3.7Å; M380-M383 HydrophobicContact CE-CE 4.01Å; M380-M383 HydrophobicContact CE-CG 3.66Å
381Y54.3Low63.5Low181 Ų181123.8 Ų123.871%0.7161%0.607SS**Hα-helixtrans-60-29.9171.3-148.6-100.4000114.4P379 M383 Y384 A385P379-Y381 PolarHBondContact O-N 3.36Å; Y381-M383 VanDerWaalsContact C-N 3.32Å; Y381-M383 PolarHBondContact O-N 3.16Å; Y381-Y384 PolarHBondContact O-N 3.38Å; Y381-Y384 VanDerWaalsContact O-N 3.16Å; Y381-A385 PolarHBondContact O-N 3.44Å
382S54.4Low61.1Low44 Ų44127.3 Ų127.331%0.30862%0.621SS.*Hα-helixtrans-65.5-33-177.369.40000113.2P379 M380 K386P379-S382 PolarHBondContact O-N 3.02Å; M380-S382 VanDerWaalsContact C-N 3.31Å; M380-S382 PolarHBondContact O-N 2.9Å; S382-K386 PolarHBondContact O-N 3.32Å
383M52.3Low58.7Low128 Ų128134.1 Ų134.163%0.63164%0.64SS**Hα-helixtrans-70.5-42.6170.5-82-107.1-91.700112.1M380 Y381 A385 K386 L387M380-M383 HydrophobicContact CE-CB 3.7Å; M380-M383 HydrophobicContact CE-CE 4.01Å; M380-M383 HydrophobicContact CE-CG 3.66Å; Y381-M383 VanDerWaalsContact C-N 3.32Å; Y381-M383 PolarHBondContact O-N 3.16Å; M383-A385 VanDerWaalsContact C-N 3.35Å; M383-A385 PolarHBondContact O-N 2.99Å; M383-K386 PolarHBondContact O-N 3.39Å; M383-L387 PolarHBondContact O-N 3.46Å
384Y54.4Low56Low156 Ų156137.3 Ų137.361%0.61266%0.659SS**Hα-helixtrans-63.3-38.9177-89.9-88.9000112.5Y381 K386 L387 Q388Y381-Y384 PolarHBondContact O-N 3.38Å; Y381-Y384 VanDerWaalsContact O-N 3.16Å; Y384-K386 VanDerWaalsContact C-N 3.31Å; Y384-K386 PolarHBondContact O-N 3.22Å; Y384-L387 PolarHBondContact O-N 2.96Å; Y384-Q388 PolarHBondContact O-N 3.18Å
385A52.9Low53.5Low53 Ų53141.2 Ų141.244%0.43868%0.675SS.*Hα-helixtrans-60.8-37.1174.600000112.7Y381 M383Y381-A385 PolarHBondContact O-N 3.44Å; M383-A385 VanDerWaalsContact C-N 3.35Å; M383-A385 PolarHBondContact O-N 2.99Å
386K52.6Low51.1Low164 Ų164140.8 Ų140.871%0.71368%0.684SS**Hα-helixtrans-71-39.3172.9-78.1177.1176.5170.20112.5S382 M383 Y384 N389S382-K386 PolarHBondContact O-N 3.32Å; M383-K386 PolarHBondContact O-N 3.39Å; Y384-K386 VanDerWaalsContact C-N 3.31Å; Y384-K386 PolarHBondContact O-N 3.22Å; K386-N389 PolarHBondContact O-N 3.43Å
387L51.2Low48.8Very low111 Ų111140.8 Ų140.858%0.58169%0.694SS**Hα-helixtrans-66.9-40.1-179.6-165.369.2000112.2M383 Y384 N389 Q390M383-L387 PolarHBondContact O-N 3.46Å; Y384-L387 PolarHBondContact O-N 2.96Å; L387-N389 PolarHBondContact O-N 3.49Å; L387-Q390 PolarHBondContact O-N 3.04Å
388Q50.5Low47Very low155 Ų155138.9 Ų138.972%0.72471%0.705SS**Hα-helixtrans-65.8-23.6178-166.7170.54.500112.8Y384Y384-Q388 PolarHBondContact O-N 3.18Å
389N49.2Very low45.6Very low138 Ų138139.2 Ų139.274%0.73871%0.711SS**Hα-helixtrans-76.9-29176.9-146.9-88000113K386 L387 Q391K386-N389 PolarHBondContact O-N 3.43Å; L387-N389 PolarHBondContact O-N 3.49Å; N389-Q391 PolarHBondContact O-N 3.28Å
390Q45.6Very low44.3Very low155 Ų155140.5 Ų140.572%0.72472%0.722SS**Hα-helixtrans-75.5-18178.2-76.2-164.38.600114.4L387 Y392 Y393L387-Q390 PolarHBondContact O-N 3.04Å; Q390-Y392 PolarHBondContact O-N 3.25Å; Q390-Y393 PolarHBondContact O-N 3.44Å
391Q39.8Very low43.2Very low169 Ų169138.7 Ų138.779%0.7973%0.734SS**THydrogen-bonded Turntrans-69.1-2-175.6-81.5-72.9-83.500115.4N389N389-Q391 PolarHBondContact O-N 3.28Å
392Y41.8Very low42.1Very low209 Ų209135.7 Ų135.782%0.8274%0.74SS**THydrogen-bonded Turntrans-99.41.3179-115.4-85.1000115.8Q390Q390-Y392 PolarHBondContact O-N 3.25Å
393Y42.3Very low41.2Very low212 Ų212142 Ų14283%0.83176%0.764SS**SBendtrans-13681.2178.3-79.4-83.2000113.2Q390Q390-Y393 PolarHBondContact O-N 3.44Å
394M34Very low40.2Very low193 Ų193142.4 Ų142.495%0.95177%0.774SS**  trans-178.9100.5138.2-103.8177.371.800111.8
395Q37.3Very low39Very low192 Ų192145.4 Ų145.490%0.89779%0.785SS**  trans-151.7154.4154.6-140.3-177.231.300112
396S33Very low39.3Very low116 Ų116148.4 Ų148.481%0.81180%0.8SS**  trans72.1137.5-176.380.70000116.7
397S30.3Very low38.2Very low130 Ų130144.2 Ų144.291%0.90980%0.803SS**  trans-149.4116.2166.8-690000105.7
398G32.9Very low38.8Very low71 Ų71145.3 Ų145.373%0.73282%0.817SS**  trans-175.177.4-165.500000115.6
399V32.5Very low37.9Very low132 Ų132142.5 Ų142.580%0.882%0.82SS**  trans58.7117.7144.8-1780000119
400S34.3Very low37.2Very low123 Ų123144.2 Ų144.286%0.8682%0.824SS**  trans64.1120.8153.9-610000120.1
401G31.1Very low36.7Very low81 Ų81141.7 Ų141.784%0.83582%0.823SS**  trans167.5132163.300000113.1
402S32.2Very low36.4Very low118 Ų118136.9 Ų136.983%0.82582%0.82SS**  trans-90.8144.8-174.3-54.10000114.6
403Q35.8Very low35.8Very low175 Ų175131.7 Ų131.782%0.81881%0.81SS**  trans73.1166.3137.6-83.4-72.62.700121.7
404V31Very low35.5Very low138 Ų138131.3 Ų131.384%0.83681%0.808SS**  trans87.5151.3167.8-163.40000116.8
405Y28.1Very low35.6Very low219 Ų219129.1 Ų129.186%0.85980%0.8SS**  trans-129.4-155.9-158.5-147.6-31000109.9
406P59.3Low35.3Very low115 Ų115125.9 Ų125.975%0.74779%0.793SS**  -87.2171.2-12640.2-36.7000118
407G30.6Very low35.2Very low76 Ų76126.2 Ų126.278%0.78479%0.79SS**  trans-177.1127.7160.700000115.2
408P62.9Low35.1Very low134 Ų134123.4 Ų123.487%0.8778%0.782SS**  trans-118.9151.3179.639.7-30.3000116.1
409A32.1Very low35.1Very low96 Ų96125.4 Ų125.479%0.79378%0.784SS**  trans-163.5146.3158.900000109
410Q35.1Very low35.2Very low175 Ų175123.5 Ų123.582%0.81878%0.783SS**  cis97.4109.329.1-85-104.9-16.700116
411S35.2Very low35.2Very low101 Ų101126 Ų12671%0.70678%0.781SS**  trans82.7150.1135.3-60.40000122.3
412G32.9Very low35.2Very low69 Ų69128.5 Ų128.571%0.71177%0.772SS**  trans107.997.2179.100000112.7
413T29.8Very low35Very low100 Ų100127.3 Ų127.361%0.61376%0.764SS**  cis91.9136.916.4-360000115.8
414Y34.3Very low34.9Very low204 Ų204125.9 Ų125.980%0.876%0.757SS**  trans73.3146.2178-45.8-69.3000114.8
415L36.6Very low34.7Very low146 Ų146125.5 Ų125.576%0.76475%0.75SS**  cis-154.6-175.3-13.6-107.3168.5000106.1
416V32.2Very low34.6Very low124 Ų124121.4 Ų121.475%0.75274%0.739SS**  cis-138.5-13518.469.40000112
417T30.4Very low33Very low123 Ų123121.6 Ų121.676%0.75574%0.743SS**  trans-153.1159.3-160.454.90000114.8
418G28.2Very low32.9Very low72 Ų72128.1 Ų128.174%0.74275%0.745SS**  trans-155.4111.316000000112.3
419S32.2Very low31.1Very low112 Ų112126.8 Ų126.878%0.78374%0.739SS**  trans-14.3129.3175.749.30000118.6
420A35Very low31.1Very low93 Ų93130 Ų13077%0.76974%0.742SS**  cis68.4141.949.100000113
421Q33.5Very low31.4Very low175 Ų175126.6 Ų126.682%0.81874%0.735SS**  cis-155.3176.232.7-86.4-170.8-88.900111.1
422M30.8Very low32.3Very low133 Ų133127 Ų12766%0.65574%0.735SS**  cis179.5133.4-25175.5170.9175.200112
423S29.8Very low32.2Very low94 Ų94131 Ų13166%0.65774%0.735SS**  trans48.9165.1147.7-50.50000121.9
424H32.4Very low32.1Very low145 Ų145133.3 Ų133.367%0.67174%0.739SS**  cis-162.8149.333.6-113.1-46.6000115.2
425L27.5Very low31.7Very low129 Ų129130.3 Ų130.368%0.67574%0.736SS**  trans67.9158.5143.9-63.9165.1000118.8
426Q26.1Very low31.3Very low134 Ų134128.1 Ų128.163%0.62673%0.733SS**  cis-153159.4-2.5-146.9149.3-30.700112
427S24.4Very low31.2Very low119 Ų119126.6 Ų126.683%0.83273%0.728SS**  trans-154.7155.4158.747.20000112.2
428Y28.6Very low31.1Very low213 Ų213128 Ų12884%0.83573%0.729SS**  trans-122.7177.9-174.3-99.7-86.1000111.4
429S26.8Very low31.2Very low106 Ų106128.5 Ų128.574%0.74172%0.721SS**  trans-139.5175.8-161.2-51.30000115
430L32.2Very low31.2Very low162 Ų162132.5 Ų132.585%0.84873%0.728SS**  trans94.1165159.6-56.2173.5000117.7
431P41.1Very low30.9Very low104 Ų104131.6 Ų131.668%0.67573%0.727SS**  -143-148.8-73.443.8-24.1000112.4
432P53.6Low30.7Very low109 Ų109128.2 Ų128.271%0.70873%0.729SS**  -104.1-137.4-59.127.8-5.2000108.5
433E30.5Very low30.9Very low154 Ų154128.9 Ų128.972%0.7274%0.74SS**  cis-162.9168.2-10.1-139.4176.79000105.7
434Q27.2Very low31.3Very low149 Ų149130.4 Ų130.470%0.69675%0.748SS**  cis-132-151.87.1-47.9-163.4-57.200109.1
435L26.8Very low32Very low141 Ų141129.7 Ų129.774%0.73876%0.756SS**  cis-149.1-138.4-2.1-141-179.5000110
436S27.5Very low32.1Very low100 Ų100129.6 Ų129.670%0.69977%0.766SS**  trans-173.4165.4-174.5-89.30000112
437S30.3Very low32.3Very low91 Ų91128.1 Ų128.164%0.63678%0.777SS**  cis-175.7-154.4-22.861.40000108.7
438I28.8Very low32.6Very low154 Ų154130.1 Ų130.179%0.7978%0.778SS**  trans74154.2168.8-99.565.4000117
439S29.9Very low32.7Very low82 Ų82126.2 Ų126.257%0.57378%0.782SS**  cis-174.4155.8-46.362.30000112.7
440Q33.3Very low32.8Very low196 Ų196126.2 Ų126.292%0.91679%0.788SS**  trans72.7148165.5-52.1-177.715.400118.2
441G27.5Very low32.7Very low73 Ų73126 Ų12675%0.75379%0.787SS**  cis173.3171.2-9.700000116.5
442A29.2Very low32.8Very low104 Ų104126.4 Ų126.486%0.8679%0.79SS**  trans65.3124.3158.400000123.5
443V35.3Very low31.7Very low148 Ų148125.6 Ų125.690%0.89779%0.787SS**  trans-153.4137152.7-89.70000111.4
444P39.4Very low31.6Very low126 Ų126126.1 Ų126.182%0.81879%0.789SS**  trans-115.4168.5168.738.2-28000114.1
445P46.8Very low31.7Very low129 Ų129126.2 Ų126.284%0.83879%0.79SS**  trans-103.2176.2-160.240.2-37.4000116.9
446S28Very low31.7Very low128 Ų128124.9 Ų124.990%0.89579%0.787SS**  trans-100.3160.1178.7-60.30000114
447A31.4Very low31.7Very low102 Ų102128.6 Ų128.684%0.84379%0.794SS**  trans-146.3159.4176.100000113.5
448N30.5Very low31.5Very low162 Ų162128.3 Ų128.387%0.86680%0.797SS**  trans-78.5157.6-172.7-69.5-13.5000115.6
449S29.8Very low31.3Very low131 Ų131125.8 Ų125.892%0.91679%0.793SS**  trans-167.2175.2134.3-850000112.2
450A30.6Very low31Very low105 Ų105132.1 Ų132.187%0.86881%0.806SS**  trans-119.7-175.4-152.500000117.8
451L29.9Very low32Very low158 Ų158127.7 Ų127.783%0.82779%0.794SS**  trans-54.4166.3-176.2-122.976.2000116.5
452P42Very low32Very low113 Ų113131.4 Ų131.473%0.73480%0.797SS**  -156.2146.46941.5-19.8000121.8
453S30.7Very low31.9Very low91 Ų91129.8 Ų129.864%0.63678%0.784SS**  trans55.8130.3136.268.90000127
454Q29.5Very low31.6Very low165 Ų165131.1 Ų131.177%0.77178%0.782SS**  trans69.2153.8145.1-72.7-166.755.900119.6
455Q28.4Very low31.1Very low151 Ų151132 Ų13271%0.70679%0.785SS**  cis-154.8178.74.3-140.2-17912.900113.3
456T27.3Very low30.1Very low113 Ų113131 Ų13169%0.69378%0.781SS**  trans63.1162.2159.456.60000122
457Q26.3Very low30.1Very low178 Ų178130.7 Ų130.783%0.83278%0.779SS**  cis-170.8155.9-44.4-169.9169.4-0.500111
458A27.4Very low29.9Very low86 Ų86132.4 Ų132.471%0.71178%0.778SS**  trans72.3155.8162.100000118.7
459S23.2Very low29.8Very low101 Ų101133.2 Ų133.271%0.70678%0.777SS**  cis-165.8151.9-21.6-96.20000112.6
460Y25.4Very low29.6Very low215 Ų215130.4 Ų130.484%0.84377%0.769SS**  trans0.2167.4146.4-63.8-72000122.9
461P53.1Low29.4Very low103 Ų103132.3 Ų132.367%0.66976%0.764SS**  cis-146.1-176.6-27.938.6-18.4000117.1
462N27.3Very low29.3Very low151 Ų151129.5 Ų129.581%0.80776%0.758SS**  trans72.7118.7139.7-89.1-5.4000125.7
463A28.1Very low28.5Very low70 Ų70134.7 Ų134.758%0.57976%0.764SS**  78.3119.811100000124.3
464M28.5Very low29.1Very low175 Ų175136 Ų13686%0.86277%0.771SS**  trans40131.4135.477-156.8174.300123.5
465V28.2Very low28.9Very low145 Ų145133.4 Ų133.488%0.87977%0.771SS**  -173156.9125.1137.90000112.3
466S26.3Very low29Very low107 Ų107135 Ų13575%0.74878%0.778SS**  trans-77.4163.9-168.1-34.30000117.6
467S28.7Very low29Very low123 Ų123134.4 Ų134.486%0.8679%0.785SS**  trans-168.3177140.444.30000112.2
468V26.9Very low29.1Very low137 Ų137130.9 Ų130.983%0.8378%0.78SS**  trans-154.2166.7-161.7-127.60000108.9
469Q28.1Very low29.2Very low180 Ų180133.8 Ų133.884%0.84178%0.782SS**  cis-161.1155.710.3-179.9178.6-11.600109.6
470G25.5Very low29.5Very low72 Ų72139 Ų13974%0.74279%0.787SS**  trans165.8103.3161.800000119.3
471N27.1Very low29.6Very low145 Ų145133.8 Ų133.878%0.77578%0.783SS**  trans10.2152.1155-71.219.6000126.1
472S26.3Very low28.4Very low99 Ų99134.2 Ų134.269%0.69279%0.788SS**  trans79106.5141.948.50000122.5
473Y26.1Very low28.4Very low222 Ų222132 Ų13287%0.87179%0.791SS**  42.5156.3121.4-67.5-63.4000122.3
474P43.4Very low28.5Very low119 Ų119133.8 Ų133.877%0.77381%0.806SS**  cis-127.7171.113.141.6-27000116.6
475S25.9Very low28.6Very low110 Ų110130.7 Ų130.777%0.76981%0.808SS**  trans-71.5159.5163.5-42.10000111.5
476Q28.7Very low28.8Very low183 Ų183128.6 Ų128.686%0.85581%0.806SS**  trans-135.8125.3164.2-159.117346.700111.3
477A28.3Very low29.1Very low101 Ų101128 Ų12884%0.83581%0.808SS**  trans-123.8149.1162.700000107.2
478S28.5Very low29.3Very low104 Ų104127.1 Ų127.173%0.72781%0.807SS**  trans-139.7131.3179.5-66.40000111
479I28.6Very low29.5Very low147 Ų147125.4 Ų125.475%0.75481%0.807SS**  trans-124.6167.8166.9-59.9176.6000105.9
480Y30.6Very low29.9Very low210 Ų210123.2 Ų123.282%0.82481%0.806SS**  trans82.2150.6176.6-61.7-81000115.8
481S27.5Very low30.9Very low106 Ų106125.9 Ų125.974%0.74181%0.811SS**  cis-142.2165.69.5-144.20000114.7
482S28.3Very low31.2Very low113 Ų113125.2 Ų125.279%0.7981%0.811SS**  trans-91.3172.1171.356.30000112.3
483A27Very low32.7Very low104 Ų104125.1 Ų125.186%0.8681%0.809SS**  trans-144.8140.4164.400000110.2
484A30.8Very low33.1Very low108 Ų108120.9 Ų120.989%0.89381%0.805SS**  trans-148147.5176.500000110.5
485A29.3Very low33.4Very low109 Ų109121 Ų12190%0.90181%0.806SS**  trans-153.6152.5170.800000108.9
486A33.4Very low34Very low101 Ų101121.4 Ų121.484%0.83580%0.804SS**  trans-140.3156.1-171.200000112.1
487A32.3Very low35Very low96 Ų96118.7 Ų118.779%0.79380%0.802SS**  trans174.8132.2133.300000114.8
488A33Very low35.5Very low103 Ų103120.5 Ų120.585%0.85180%0.796SS**  trans72.4150.7137.100000123.9
489A30.2Very low36.4Very low101 Ų101121.7 Ų121.784%0.83580%0.801SS**  trans97.5138.9160.300000119.6
490V36.2Very low36.7Very low134 Ų134119.3 Ų119.381%0.81280%0.803SS**  trans-146.5131.3-173.3169.50000106.5
491P46.3Very low36.9Very low129 Ų129114.1 Ų114.184%0.83880%0.804SS**  -152.2175.3103.138.3-17.9000117.5
492V33.8Very low37.4Very low130 Ų130115 Ų11579%0.78881%0.805SS**  trans-95-173.9180-111.60000112.1
493P58.4Low38.4Very low98 Ų98115.7 Ų115.764%0.63681%0.806SS**  cis-140.2-178.9-2028.4-4.6000116.4
494V35.3Very low38.9Very low133 Ų133116.7 Ų116.781%0.80680%0.802SS**  trans58.7168.3153.6-71.20000121.2
495P49.3Very low39.9Very low121 Ų121117.2 Ų117.279%0.78680%0.796SS**  cis-129.5-178.8-3.820.26.3000118.1
496V37.8Very low40.2Very low119 Ų119116.2 Ų116.272%0.72179%0.788SS**  trans-59.5169.9176.7-137.30000115.9I498V496-I498 HydrophobicContact CG1-CG1 4.14Å
497P49.3Very low39.9Very low126 Ų126118.5 Ų118.582%0.81879%0.786SS**  -144.6154.689.139.1-22.9000117.8
498I39.1Very low39.8Very low139 Ų139119 Ų11971%0.71378%0.779SS**  trans-89.7173166.1-36.3174.2000108.6V496V496-I498 HydrophobicContact CG1-CG1 4.14Å
499P48.5Very low39.6Very low129 Ų129119.3 Ų119.384%0.83877%0.77SS**  -140.3159114.338.8-28.3000115.1
500A34.9Very low39.5Very low96 Ų96121 Ų12179%0.79376%0.764SS**  trans-140.4156173.600000110.5
501A35.3Very low39.1Very low102 Ų102124.1 Ų124.184%0.84376%0.763SS**  trans-173.5148.5152.600000112.1
502V38Very low38.1Very low125 Ų125125 Ų12576%0.75876%0.755SS**  trans-97.5170171-146.60000109.4
503P49.2Very low37.8Very low126 Ų126126 Ų12682%0.81876%0.756SS**  -149.5164.992.438.2-20.5000116.6
504V36.9Very low36.4Very low125 Ų125125.7 Ų125.776%0.75876%0.762SS**  trans-99160.6168.3-142.10000109.8
505P52.5Low36.1Very low119 Ų119122.7 Ų122.777%0.77376%0.758SS**  -154.5159.1100.439.4-21.8000117.5
506A33.9Very low36.1Very low88 Ų88123.4 Ų123.473%0.72776%0.762SS**  trans39155.1136.700000122.2
507D28.7Very low35.8Very low149 Ų149124 Ų12480%0.79776%0.762SS**  cis-168-1776.2-143.3-43.8000112.1
508V28.6Very low34.9Very low108 Ų108124.4 Ų124.466%0.65575%0.754SS**  trans78.594.31461680000122.4
509T30Very low34.5Very low108 Ų108121.7 Ų121.766%0.66375%0.748SS**  65124.6123.275.60000127
510I27Very low33.6Very low137 Ų137122.7 Ų122.770%0.70374%0.741SS**  70.7137114.7-59.1170.7000124.2
511Y28.2Very low33.5Very low200 Ų200124.5 Ų124.578%0.78474%0.742SS**  trans77.6113152.9-78.3-34.8000125.6
512Q26.6Very low33.9Very low147 Ų147124.9 Ų124.969%0.68774%0.736SS**  80.4127.4107.4-162.216445.300124.6
513N27.4Very low33.3Very low150 Ų150124.5 Ų124.580%0.80274%0.739SS**  trans61.2156.4156.5-75.3-15.2000118.7
514A28.1Very low32.3Very low93 Ų93129 Ų12977%0.76974%0.741SS**  cis-151.9171.521.200000114.1
515G28.8Very low31.9Very low69 Ų69129.4 Ų129.471%0.71174%0.744SS**  trans-85.6171.6160.400000112.7
516P49.8Very low30.7Very low136 Ų136132.5 Ų132.588%0.88375%0.753SS**  -147.3-177.590.428.8-7000113.9
517N31.5Very low30.5Very low133 Ų133134.7 Ų134.771%0.71176%0.757SS**  cis-177.5168.8-31-17616.9000107.8
518M31.2Very low30.6Very low134 Ų134133 Ų13366%0.6676%0.757SS**  trans73.4147.6171.3-48.4-86.372.500115.3
519S30.3Very low30.7Very low82 Ų82133.9 Ų133.957%0.57377%0.768SS**  cis-174.6162.4-7.1-103.70000110.2
520Q29.7Very low30.8Very low150 Ų150133.8 Ų133.870%0.70177%0.772SS**  cis-171.9129-17.5-119.8171.1-33.200110.9
521V31.9Very low31.1Very low133 Ų133134.2 Ų134.281%0.80678%0.775SS**  trans54169.3155.6-79.40000121
522P44Very low32Very low110 Ų110131 Ų13171%0.71478%0.779SS**  cis-124.5163.8-5.820.52.9000116.6
523S25.6Very low32.3Very low117 Ų117132.3 Ų132.382%0.81879%0.785SS**  trans-128156.2156.4-55.20000109
524Y28.2Very low32.6Very low221 Ų221130.2 Ų130.287%0.86779%0.788SS**  trans-105.2133.7-168.98.2-97.8000113
525T27.4Very low32.7Very low133 Ų133129.4 Ų129.482%0.81679%0.789SS**  trans-136.3138.4170.651.20000109.5
526L28.6Very low32.7Very low184 Ų184129.7 Ų129.796%0.96379%0.792SS**  trans-114138.8174.1-82.6166.6000110.4
527T29.5Very low31.8Very low134 Ų134129.3 Ų129.382%0.82279%0.787SS**  trans-116.7162.9-179.4490000112.4
528S31.1Very low31.9Very low114 Ų114132.1 Ų132.180%0.79780%0.796SS**  trans-73.4157.9-170.452.60000116.7
529S29.1Very low31.8Very low126 Ų126134.4 Ų134.488%0.88181%0.805SS**  trans-130.4161.3160.2-70.10000110.4
530S31.9Very low33.1Very low107 Ų107135.7 Ų135.775%0.74881%0.812SS**  trans-138.3142.9-152.858.80000117.9
531L34.4Very low34Very low146 Ų146133.9 Ų133.976%0.76481%0.813SS**  trans65.7167.1153.2-105.776000117.8
532P47.1Very low34.3Very low132 Ų132136.3 Ų136.386%0.85782%0.815SS**  cis-122-160.332.441.9-26.1000116.9
533Q32.7Very low34.5Very low175 Ų175136.1 Ų136.182%0.81881%0.814SS**  trans-143.2138.9-149.3172.1-164.127.700113.5
534A33.6Very low34.8Very low106 Ų106138.1 Ų138.188%0.87681%0.811SS**  trans175.6145.1147.700000110.5
535G30Very low35.3Very low76 Ų76135.4 Ų135.478%0.78481%0.806SS**  cis172144.3-10.700000113.1
536G29.8Very low35.6Very low75 Ų75133.1 Ų133.177%0.77380%0.801SS**  trans87.7153173.200000116.6
537T30.9Very low35.9Very low128 Ų128135 Ų13579%0.78580%0.797SS**  cis-161.3146.8-9.319.90000111.6
538Q32.7Very low36.3Very low191 Ų191133.5 Ų133.589%0.89379%0.792SS**  trans73.4128151.9-70.6171.8-17.700122.7
539Q30.1Very low36.7Very low183 Ų183135.1 Ų135.186%0.85579%0.786SS**  trans-67.9-174.9159.8-91.4175.9-48.100113.7
540P56.4Low37.2Very low109 Ų109137.2 Ų137.271%0.70878%0.78SS**  cis-134-135.8-30.938.1-16.7000108.8
541P49.5Very low37.5Very low112 Ų112136 Ų13673%0.72778%0.777SS**  cis-128.3-174.8-3141.2-24.8000114.6
542Q37.6Very low37.9Very low183 Ų183137 Ų13786%0.85578%0.782SS**  trans-87.7160.5153.5-61.3176.9-58.300110
543P47.9Very low37.7Very low107 Ų107141.7 Ų141.770%0.69580%0.798SS**  -157.4162.795.140.8-21.5000118.7
544Q32.7Very low37.9Very low158 Ų158140.1 Ų140.174%0.73880%0.797SS**  trans40.5127.7139.8-65172.7-93.400125.4
545Q37.6Very low38.1Very low164 Ų164141.8 Ų141.877%0.76679%0.793SS**  44.9131.9123.8-53.4170.7-71.600122.4
546A33.6Very low38.6Very low86 Ų86145.5 Ų145.571%0.71179%0.794SS**  148.2159104.100000117.4
547Y35.3Very low39.1Very low223 Ų223149.6 Ų149.688%0.87580%0.795SS**  trans44.2106.2157.8-72.8-72.2000124
548S38.4Very low39.6Very low103 Ų103151 Ų15172%0.7280%0.796SS**  67.8149.4104.3-158.90000124.6
549Q39.3Very low40.1Very low147 Ų147148.3 Ų148.369%0.68779%0.789SS**  trans90.1120.6155.3-92.9-174.186.600123.3
550K39.1Very low40.8Very low171 Ų171145.9 Ų145.974%0.74378%0.784SS**  trans88.6110.2133.3-86.3177.4177.6147.20123
551A39.4Very low39.6Very low82 Ų82148.7 Ų148.768%0.67879%0.79SS**  90.7143.4111.700000120.7
552L42.8Very low38.8Very low167 Ų167151.8 Ų151.887%0.87480%0.796SS**  trans67.3143.3176.8-59.8158.3000113.7
553L41.5Very low38.9Very low230 Ų230148.9 Ų148.9100%1.20479%0.79SS**  cis-138.9013-162.2149.1000111.2

Retrieved 553 of 553 residues in 116.3 ms (Link to these results)

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