A0A3Q0KJ53_SCHMA Loading...

Ell related

AlphaFold DB , UniProt , Accession A0A3Q0KJ53, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 840 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
1M46.5Very low49.1Very low96 Ų9697.5 Ų97.547%0.47350%0.499SS..  0-171.60-76.9172.8166.200108.7E22 V24 I50 F52M1-E22 HydrophobicContact CE-CB 4.32Å; M1-V24 HydrophobicContact CE-CG2 3.99Å; M1-V24 HydrophobicContact SD-CG2 4.27Å; M1-I50 CarbonylContact C-O 3.46Å; M1-I50 PolarHBondContact N-O 3.21Å; M1-I50 CarbonylContact O-C 3.57Å; M1-F52 HydrophobicContact CG-CE1 4.44Å; M1-F52 HydrophobicContact SD-CE1 4.42Å
2S40.7Very low49.7Very low72 Ų7292.8 Ų92.850%0.50348%0.477SS..  trans-130.7135.4157-176.10000107.6S49S2-S49 WeakPolarHBondContact OG-CA 3.36Å; S2-S49 WeakPolarHBondContact OG-CB 3.35Å
3L50.4Low50Low44 Ų4491.1 Ų91.123%0.2347%0.465CS..BIsolated β-bridgetrans-97136.1177.2-63.6172.2000108.6F26 S47 F48 I50L3-F26 HydrophobicContact CD1-CE1 4.36Å; L3-F26 HydrophobicContact CD1-CZ 4.04Å; L3-F26 HydrophobicContact CD2-CE2 4.43Å; L3-F26 HydrophobicContact CD2-CZ 4.22Å; L3-S47 WeakPolarHBondContact O-CB 3.49Å; L3-F48 CarbonylContact C-O 3.46Å; L3-F48 HydrophobicContact CB-CE2 4.22Å; L3-F48 HydrophobicContact CB-CZ 4.25Å; L3-F48 WeakPolarHBondContact CB-O 3.42Å; L3-F48 HydrophobicContact CD1-CE2 3.8Å; L3-F48 HydrophobicContact CD1-CZ 4.1Å; L3-F48 PolarHBondContact N-O 2.67Å; L3-F48 CarbonylContact O-C 3.58Å; L3-F48 PolarHBondContact O-N 2.68Å; L3-F48 VanDerWaalsContact O-N 3.1Å; L3-I50 HydrophobicContact CD1-CB 4.15Å; L3-I50 HydrophobicContact CD1-CD1 3.75Å; L3-I50 HydrophobicContact CD1-CG1 3.98Å
4R49.3Very low50.2Low208 Ų20893.8 Ų93.879%0.78548%0.481SS*.  trans-109.5124.9166.2-57.3-162.4-178.4178.52.6107.4
5Y52.1Low50.3Low98 Ų9893.3 Ų93.338%0.38448%0.48SS..  trans-71.9138.7162.6-170.6-113.2000108N7 A40Y5-N7 WeakPolarHBondContact CE1-OD1 3.21Å; Y5-N7 PolarHBondContact OH-OD1 3.08Å; Y5-A40 HydrophobicContact CD1-CB 3.92Å; Y5-A40 HydrophobicContact CD2-CB 4Å; Y5-A40 HydrophobicContact CE1-CB 3.69Å; Y5-A40 HydrophobicContact CE2-CB 3.8Å; Y5-A40 HydrophobicContact CG-CB 4.06Å
6S51.2Low50.7Low65 Ų6592.2 Ų92.246%0.45549%0.488SS..  trans-139.9108.5179.6-176.10000108.5D8S6-D8 PolarHBondContact O-N 2.6Å; S6-D8 PolarHBondContact OG-O 3.28Å
7N49.8Very low51.1Low100 Ų10091.2 Ų91.254%0.53549%0.491SS..SBendtrans-66.3-28172.4-74.9-54.7000111.7Y5 S9Y5-N7 WeakPolarHBondContact CE1-OD1 3.21Å; Y5-N7 PolarHBondContact OH-OD1 3.08Å; N7-S9 PolarHBondContact O-N 3.16Å
8D49.6Very low51.7Low92 Ų9290.1 Ų90.149%0.49248%0.479SS..  trans-78.3106.1178.7-84.8-61.3000112.3S6 N10 F11S6-D8 PolarHBondContact O-N 2.6Å; S6-D8 PolarHBondContact OG-O 3.28Å; D8-N10 PolarHBondContact O-N 3.3Å; D8-N10 VanDerWaalsContact O-N 3.07Å; D8-F11 HydrophobicContact CB-CD2 4.17Å
9S52.9Low52.1Low93 Ų9390.4 Ų90.465%0.6548%0.481SS*.THydrogen-bonded Turntrans-65.90.8170.357.90000114.8N7 R89N7-S9 PolarHBondContact O-N 3.16Å; S9-R89 PolarHBondContact O-NH1 3.07Å
10N49.4Very low53Low82 Ų8294.1 Ų94.144%0.43950%0.501SS..THydrogen-bonded Turntrans-85.5-36.1-177.3-71.3-56.6000113.3D8 R89 K91D8-N10 PolarHBondContact O-N 3.3Å; D8-N10 VanDerWaalsContact O-N 3.07Å; N10-R89 PolarHBondContact O-NH1 3.33Å; N10-K91 PolarHBondContact OD1-NZ 3.44Å
11F48Very low53.8Low123 Ų12394.2 Ų94.254%0.53950%0.501SS..  trans-74.8149165.8-60.7-90.2000107.8D8D8-F11 HydrophobicContact CB-CD2 4.17Å
12V55.9Low55.1Low40 Ų4094.4 Ų94.424%0.24250%0.501CS..SBend-1512.356.5158.90000112.5Y18 L21V12-Y18 HydrophobicContact CG1-CD1 4.16Å; V12-Y18 HydrophobicContact CG1-CD2 4.35Å; V12-Y18 HydrophobicContact CG1-CE1 4.4Å; V12-Y18 HydrophobicContact CG1-CG 4.1Å; V12-Y18 VanDerWaalsContact O-CB 3.26Å; V12-Y18 WeakPolarHBondContact O-CB 3.47Å; V12-Y18 WeakPolarHBondContact O-CD2 3.49Å; V12-L21 HydrophobicContact CG1-CD1 3.63Å
13F53.6Low56.8Low71 Ų7193 Ų9331%0.31149%0.487SS..SBendtrans-122.1-1.4-163-72.2-79.3000117.6L23 L98F13-L23 HydrophobicContact CZ-CD1 4.23Å; F13-L98 HydrophobicContact CB-CD2 4.08Å; F13-L98 HydrophobicContact CD2-CB 4.08Å; F13-L98 HydrophobicContact CD2-CD1 3.9Å; F13-L98 HydrophobicContact CD2-CD2 3.73Å; F13-L98 HydrophobicContact CD2-CG 4.12Å; F13-L98 HydrophobicContact CE2-CB 4.1Å; F13-L98 HydrophobicContact CE2-CD1 3.9Å; F13-L98 HydrophobicContact CE2-CD2 4.48Å; F13-L98 HydrophobicContact CE2-CG 4.39Å; F13-L98 HydrophobicContact CG-CB 4.38Å; F13-L98 HydrophobicContact CG-CD2 4.04Å; F13-L98 HydrophobicContact CZ-CB 4.42Å
14D52.9Low58.2Low129 Ų12992 Ų9269%0.6948%0.483SS*.SBendtrans-97.4-9.8176.2-63.2-73000113.3R89D14-R89 IonicContact OD2-CZ 3.81Å; D14-R89 IonicContact OD2-NH2 3.49Å; D14-R89 PolarHBondContact OD2-NH2 2.63Å
15D52.9Low59.8Low87 Ų8784.9 Ų84.947%0.46546%0.458SS..SBendtrans-93.7138.8175178.913.6000111.1S17 Y18D15-S17 PolarHBondContact O-N 2.93Å; D15-S17 PolarHBondContact OD1-N 3.12Å; D15-S17 VanDerWaalsContact OD1-N 3.16Å; D15-S17 WeakPolarHBondContact OD2-CB 3.35Å; D15-S17 PolarHBondContact OD2-OG 3.26Å; D15-Y18 HydrophobicContact CB-CD2 4.01Å; D15-Y18 HydrophobicContact CB-CE2 4.21Å; D15-Y18 PolarHBondContact O-N 3.43Å
16A56.6Low61.5Low75 Ų7583.5 Ų83.562%0.6246%0.455SS*.G310 helixtrans-68-16.417900000113.7Y18 N19A16-Y18 PolarHBondContact O-N 2.71Å; A16-N19 WeakPolarHBondContact CA-ND2 3.49Å; A16-N19 PolarHBondContact O-ND2 3.19Å
17S57.5Low63.3Low75 Ų7588 Ų8852%0.52446%0.462SS..G310 helixtrans-61.6-17.6174.6700000114.3D15D15-S17 PolarHBondContact O-N 2.93Å; D15-S17 PolarHBondContact OD1-N 3.12Å; D15-S17 VanDerWaalsContact OD1-N 3.16Å; D15-S17 WeakPolarHBondContact OD2-CB 3.35Å; D15-S17 PolarHBondContact OD2-OG 3.26Å
18Y61.5Low65.2Low71 Ų7185.8 Ų85.828%0.27845%0.45SS..G310 helixtrans-107.512.7-174-60.3-65.8000115.1V12 D15 A16 D20 L21V12-Y18 HydrophobicContact CG1-CD1 4.16Å; V12-Y18 HydrophobicContact CG1-CD2 4.35Å; V12-Y18 HydrophobicContact CG1-CE1 4.4Å; V12-Y18 HydrophobicContact CG1-CG 4.1Å; V12-Y18 VanDerWaalsContact O-CB 3.26Å; V12-Y18 WeakPolarHBondContact O-CB 3.47Å; V12-Y18 WeakPolarHBondContact O-CD2 3.49Å; D15-Y18 HydrophobicContact CB-CD2 4.01Å; D15-Y18 HydrophobicContact CB-CE2 4.21Å; D15-Y18 PolarHBondContact O-N 3.43Å; A16-Y18 PolarHBondContact O-N 2.71Å; Y18-D20 PolarHBondContact O-N 3.37Å; Y18-D20 VanDerWaalsContact O-N 3.15Å; Y18-L21 HydrophobicContact CD1-CD1 3.6Å; Y18-L21 HydrophobicContact CD1-CG 4.1Å; Y18-L21 HydrophobicContact CE1-CD1 4.45Å; Y18-L21 HydrophobicContact CG-CD1 4.13Å; Y18-L21 PolarHBondContact O-N 3.06Å
19N59.1Low67.1Low97 Ų9782.6 Ų82.652%0.51943%0.433SS..THydrogen-bonded Turntrans-62.4-20.4179.8-77.2-70.6000114.1A16 R254A16-N19 WeakPolarHBondContact CA-ND2 3.49Å; A16-N19 PolarHBondContact O-ND2 3.19Å; N19-R254 PolarHBondContact OD1-NH2 2.82Å
20D69.2Low68.8Low164 Ų16485.1 Ų85.188%0.87744%0.439SS*.THydrogen-bonded Turntrans-97.613.2-178.9-59.5-33000113.6Y18Y18-D20 PolarHBondContact O-N 3.37Å; Y18-D20 VanDerWaalsContact O-N 3.15Å
21L70.8Confident70.7Confident97 Ų9783 Ų8351%0.50843%0.431SS..PPolyproline II helixtrans-83.4131.2177.2-67.5-168.3000113.3V12 Y18V12-L21 HydrophobicContact CG1-CD1 3.63Å; Y18-L21 HydrophobicContact CD1-CD1 3.6Å; Y18-L21 HydrophobicContact CD1-CG 4.1Å; Y18-L21 HydrophobicContact CE1-CD1 4.45Å; Y18-L21 HydrophobicContact CG-CD1 4.13Å; Y18-L21 PolarHBondContact O-N 3.06Å
22E73.3Confident72.6Confident100 Ų10077.1 Ų77.147%0.46741%0.405SS..PPolyproline II helixtrans-87.4141.8165.7-169.3-173.2138.700110.8M1 V102 S103M1-E22 HydrophobicContact CE-CB 4.32Å; E22-V102 HydrophobicContact CG-CG2 3.47Å; E22-V102 VanDerWaalsContact CG-CG2 3.47Å; E22-V102 WeakPolarHBondContact OE1-CG2 3.3Å; E22-S103 WeakPolarHBondContact OE1-CB 3.35Å; E22-S103 PolarHBondContact OE1-OG 3.3Å
23L77.1Confident74.2Confident41 Ų4178.8 Ų78.822%0.21541%0.412CS..EExtended strand (participates in β ladder)trans-99.7125.5175.6-16172.4000111.4F13 C87 M101 V102F13-L23 HydrophobicContact CZ-CD1 4.23Å; L23-C87 HydrophobicContact CD2-CB 3.35Å; L23-M101 HydrophobicContact CB-CG 4.43Å; L23-M101 HydrophobicContact CD2-CG 3.67Å; L23-M101 HydrophobicContact CG-CG 3.88Å; L23-M101 WeakPolarHBondContact O-CA 3.13Å; L23-V102 PolarHBondContact O-N 2.96Å
24V79.2Confident75.7Confident25 Ų2581.8 Ų81.815%0.15243%0.425CS..EExtended strand (participates in β ladder)trans-122130.2-168.2-173.40000110.6M1 F26 S103 I105M1-V24 HydrophobicContact CE-CG2 3.99Å; M1-V24 HydrophobicContact SD-CG2 4.27Å; V24-F26 HydrophobicContact CB-CD2 4.42Å; V24-F26 HydrophobicContact CB-CE2 4.07Å; V24-F26 HydrophobicContact CG1-CD2 4.17Å; V24-F26 HydrophobicContact CG1-CE2 3.88Å; V24-S103 CarbonylContact C-O 3.54Å; V24-S103 WeakPolarHBondContact CA-O 3.36Å; V24-S103 WeakPolarHBondContact CG2-OG 3.32Å; V24-I105 HydrophobicContact CG1-CB 4.49Å; V24-I105 HydrophobicContact CG1-CD1 3.75Å; V24-I105 HydrophobicContact CG1-CG1 3.73Å
25H83.7Confident77.4Confident57 Ų5776.7 Ų76.726%0.26440%0.398SS..EExtended strand (participates in β ladder)trans-86.1110.6175.7-177.5-97.5000111.4L77 M101 S103 R104 I105H25-L77 HydrophobicContact CB-CD1 4.31Å; H25-M101 HydrophobicContact CB-CB 4.44Å; H25-M101 HydrophobicContact CB-CE 4.13Å; H25-M101 HydrophobicContact CB-SD 3.65Å; H25-S103 PolarHBondContact N-O 3.46Å; H25-R104 HydrophobicContact CB-CB 4.39Å; H25-R104 HydrophobicContact CB-CG 4.33Å; H25-R104 CarbonylContact O-C 3.4Å; H25-R104 VanDerWaalsContact O-CA 3.31Å; H25-R104 WeakPolarHBondContact O-CA 3.38Å; H25-I105 PolarHBondContact O-N 2.7Å
26F86.6Confident78.9Confident69 Ų6973.9 Ų73.930%0.30338%0.383SS..EExtended strand (participates in β ladder)trans-89.6117.2173.8-79.6-101.8000111.4L3 V24 L28 I105L3-F26 HydrophobicContact CD1-CE1 4.36Å; L3-F26 HydrophobicContact CD1-CZ 4.04Å; L3-F26 HydrophobicContact CD2-CE2 4.43Å; L3-F26 HydrophobicContact CD2-CZ 4.22Å; V24-F26 HydrophobicContact CB-CD2 4.42Å; V24-F26 HydrophobicContact CB-CE2 4.07Å; V24-F26 HydrophobicContact CG1-CD2 4.17Å; V24-F26 HydrophobicContact CG1-CE2 3.88Å; F26-L28 HydrophobicContact CB-CD2 4.42Å; F26-L28 HydrophobicContact CD1-CD2 4.27Å; F26-I105 HydrophobicContact CD1-CB 4.21Å; F26-I105 HydrophobicContact CD1-CG2 4.22Å; F26-I105 HydrophobicContact CE1-CB 4.25Å; F26-I105 HydrophobicContact CE1-CD1 3.97Å; F26-I105 HydrophobicContact CE1-CG2 4.13Å; F26-I105 HydrophobicContact CE2-CD1 4.23Å; F26-I105 HydrophobicContact CZ-CD1 3.7Å
27R89.5Confident80.2Confident161 Ų16175.7 Ų75.761%0.60838%0.378SS*.EExtended strand (participates in β ladder)trans-100.7101166.4-176.3177.1-174.9-176.24.1108.4I105 T106 V107R27-I105 PolarHBondContact N-O 3.04Å; R27-T106 HydrophobicContact CB-CG2 4.3Å; R27-T106 HydrophobicContact CG-CG2 4.29Å; R27-T106 WeakPolarHBondContact O-CA 3.45Å; R27-V107 PolarHBondContact O-N 3.04Å
28L89.8Confident81.4Confident53 Ų5376.4 Ų76.428%0.27737%0.373SS..  trans-87.9160.2178.6-56.3-179.5000111F26 A32 L33 I36 V107F26-L28 HydrophobicContact CB-CD2 4.42Å; F26-L28 HydrophobicContact CD1-CD2 4.27Å; L28-A32 HydrophobicContact CB-CB 4.36Å; L28-L33 HydrophobicContact CB-CB 4.27Å; L28-L33 HydrophobicContact CD1-CB 4.11Å; L28-L33 HydrophobicContact CD1-CD1 4.01Å; L28-I36 HydrophobicContact CD1-CD1 4.06Å; L28-I36 HydrophobicContact CD2-CD1 4.1Å; L28-V107 HydrophobicContact CD2-CG2 3.63Å
29T90.5Very high82.4Confident24 Ų2473 Ų7315%0.14736%0.36CS..  trans-86.7157.5158.559.90000109.4S31 A32 L33 V107 A109T29-S31 PolarHBondContact O-N 2.7Å; T29-S31 VanDerWaalsContact O-N 3.14Å; T29-S31 PolarHBondContact OG1-OG 3.43Å; T29-A32 CarbonylContact O-C 3.6Å; T29-A32 WeakPolarHBondContact O-CA 3.37Å; T29-A32 PolarHBondContact O-N 2.91Å; T29-A32 WeakPolarHBondContact OG1-CB 3.37Å; T29-A32 PolarHBondContact OG1-N 3.48Å; T29-L33 PolarHBondContact O-N 3.13Å; T29-V107 HydrophobicContact CG2-CG1 4.34Å; T29-A109 HydrophobicContact CG2-CB 4.25Å
30D87.3Confident83.3Confident146 Ų14668.7 Ų68.778%0.78134%0.337SS*.Hα-helixtrans-53.6-37.6177.3-50.1-6.4000112K34D30-K34 VanDerWaalsContact O-CB 3.26Å; D30-K34 WeakPolarHBondContact O-CB 3.41Å; D30-K34 PolarHBondContact O-N 3.39Å
31S88.6Confident83.7Confident37 Ų3765.6 Ų65.626%0.25933%0.329SS..Hα-helixtrans-66.6-38.3174.549.70000113.3T29 D35T29-S31 PolarHBondContact O-N 2.7Å; T29-S31 VanDerWaalsContact O-N 3.14Å; T29-S31 PolarHBondContact OG1-OG 3.43Å; S31-D35 WeakPolarHBondContact O-CB 3.37Å; S31-D35 PolarHBondContact O-N 2.84Å
32A89Confident83.9Confident0 Ų065.3 Ų65.30%033%0.331CS..Hα-helixtrans-75.6-36.5176.100000112.3L28 T29 I36 F70 V107L28-A32 HydrophobicContact CB-CB 4.36Å; T29-A32 CarbonylContact O-C 3.6Å; T29-A32 WeakPolarHBondContact O-CA 3.37Å; T29-A32 PolarHBondContact O-N 2.91Å; T29-A32 WeakPolarHBondContact OG1-CB 3.37Å; T29-A32 PolarHBondContact OG1-N 3.48Å; A32-I36 WeakPolarHBondContact O-CB 3.33Å; A32-I36 WeakPolarHBondContact O-CD1 3.32Å; A32-I36 WeakPolarHBondContact O-CG1 3.4Å; A32-I36 PolarHBondContact O-N 3.4Å; A32-F70 VanDerWaalsContact CA-CZ 3.48Å; A32-F70 HydrophobicContact CB-CD1 3.83Å; A32-F70 HydrophobicContact CB-CD2 4.49Å; A32-F70 HydrophobicContact CB-CE1 3.67Å; A32-F70 HydrophobicContact CB-CE2 4.34Å; A32-F70 HydrophobicContact CB-CG 4.24Å; A32-F70 HydrophobicContact CB-CZ 3.96Å; A32-V107 HydrophobicContact CB-CG1 3.94Å; A32-V107 HydrophobicContact CB-CG2 4.48Å
33L88.5Confident83.6Confident75 Ų7562.3 Ų62.339%0.39332%0.318SS..Hα-helixtrans-61.5-56.1174.4175.661.2000110.4L28 T29 D35 I36 E37L28-L33 HydrophobicContact CB-CB 4.27Å; L28-L33 HydrophobicContact CD1-CB 4.11Å; L28-L33 HydrophobicContact CD1-CD1 4.01Å; T29-L33 PolarHBondContact O-N 3.13Å; L33-D35 VanDerWaalsContact C-N 3.29Å; L33-D35 PolarHBondContact O-N 2.92Å; L33-I36 PolarHBondContact O-N 2.88Å; L33-I36 VanDerWaalsContact O-N 3.08Å; L33-E37 HydrophobicContact CD1-CG 4.06Å; L33-E37 HydrophobicContact CG-CG 4.43Å; L33-E37 WeakPolarHBondContact O-CG 3.48Å; L33-E37 PolarHBondContact O-N 2.95Å
34K87Confident83.1Confident135 Ų13561.9 Ų61.959%0.58732%0.324SS*.Hα-helixtrans-55-43.9178.1-179.7-177176.5-176.70112.5D30 E37 Q38D30-K34 VanDerWaalsContact O-CB 3.26Å; D30-K34 WeakPolarHBondContact O-CB 3.41Å; D30-K34 PolarHBondContact O-N 3.39Å; K34-E37 PolarHBondContact O-N 2.93Å; K34-Q38 WeakPolarHBondContact O-CB 3.13Å; K34-Q38 PolarHBondContact O-N 3.49Å
35D87.5Confident82Confident21 Ų2167.8 Ų67.811%0.11236%0.355CS..Hα-helixtrans-66.2-38.2179.6-81.616.4000111.6S31 L33 L39 V61 I63 S68 F70S31-D35 WeakPolarHBondContact O-CB 3.37Å; S31-D35 PolarHBondContact O-N 2.84Å; L33-D35 VanDerWaalsContact C-N 3.29Å; L33-D35 PolarHBondContact O-N 2.92Å; D35-L39 WeakPolarHBondContact O-CB 3.46Å; D35-L39 PolarHBondContact O-N 2.86Å; D35-V61 HydrophobicContact CB-CB 4.5Å; D35-V61 HydrophobicContact CB-CG1 4.19Å; D35-V61 WeakPolarHBondContact O-CG1 3.43Å; D35-I63 HydrophobicContact CB-CD1 3.57Å; D35-I63 VanDerWaalsContact CG-CD1 3.44Å; D35-S68 WeakPolarHBondContact OD2-CB 3.26Å; D35-S68 PolarHBondContact OD2-OG 3.39Å; D35-F70 HydrophobicContact CB-CE2 3.93Å; D35-F70 HydrophobicContact CB-CZ 3.97Å; D35-F70 WeakPolarHBondContact OD2-CE2 3.36Å; D35-F70 VanDerWaalsContact OD2-CZ 3.27Å; D35-F70 WeakPolarHBondContact OD2-CZ 3.44Å
36I84.3Confident80.7Confident28 Ų2871.8 Ų71.814%0.14437%0.373CS..Hα-helixtrans-71.8-38175.5-71.5167.4000111.8L28 A32 L33 L39 A40 F48 F59 V61L28-I36 HydrophobicContact CD1-CD1 4.06Å; L28-I36 HydrophobicContact CD2-CD1 4.1Å; A32-I36 WeakPolarHBondContact O-CB 3.33Å; A32-I36 WeakPolarHBondContact O-CD1 3.32Å; A32-I36 WeakPolarHBondContact O-CG1 3.4Å; A32-I36 PolarHBondContact O-N 3.4Å; L33-I36 PolarHBondContact O-N 2.88Å; L33-I36 VanDerWaalsContact O-N 3.08Å; I36-L39 WeakPolarHBondContact O-CB 3.18Å; I36-L39 PolarHBondContact O-N 2.76Å; I36-A40 WeakPolarHBondContact O-CB 3.4Å; I36-A40 PolarHBondContact O-N 2.94Å; I36-F48 HydrophobicContact CG2-CZ 4.2Å; I36-F59 HydrophobicContact CD1-CE2 4.23Å; I36-F59 HydrophobicContact CD1-CZ 4.38Å; I36-V61 HydrophobicContact CG1-CG2 4.2Å
37E83.8Confident79.4Confident114 Ų11471.5 Ų71.553%0.53338%0.38SS..Hα-helixtrans-64.5-42.9173.9-71.9173.6155.500111.2L33 K34 A40 S41L33-E37 HydrophobicContact CD1-CG 4.06Å; L33-E37 HydrophobicContact CG-CG 4.43Å; L33-E37 WeakPolarHBondContact O-CG 3.48Å; L33-E37 PolarHBondContact O-N 2.95Å; K34-E37 PolarHBondContact O-N 2.93Å; E37-A40 PolarHBondContact O-N 3.26Å; E37-S41 PolarHBondContact O-N 3.29Å
38Q84Confident78.3Confident89 Ų8965.6 Ų65.642%0.41636%0.358SS..Hα-helixtrans-65-41.8174.9-170.1172.7-3.200111.3K34 S41 T42 I63K34-Q38 WeakPolarHBondContact O-CB 3.13Å; K34-Q38 PolarHBondContact O-N 3.49Å; Q38-S41 PolarHBondContact O-N 3.22Å; Q38-S41 PolarHBondContact O-OG 3.29Å; Q38-T42 PolarHBondContact O-N 3.47Å; Q38-T42 PolarHBondContact O-OG1 3.03Å; Q38-I63 VanDerWaalsContact CD-CG2 3.43Å; Q38-I63 HydrophobicContact CG-CG2 3.93Å
39L81.4Confident76.8Confident1 Ų166.7 Ų66.71%0.00537%0.371CS..Hα-helixtrans-57.1-49.5171.1-178.774.3000111.3D35 I36 S41 T42 L43 F48 V61 P62D35-L39 WeakPolarHBondContact O-CB 3.46Å; D35-L39 PolarHBondContact O-N 2.86Å; I36-L39 WeakPolarHBondContact O-CB 3.18Å; I36-L39 PolarHBondContact O-N 2.76Å; L39-S41 PolarHBondContact O-N 2.87Å; L39-T42 CarbonylContact O-C 3.59Å; L39-T42 WeakPolarHBondContact O-CA 3.46Å; L39-T42 WeakPolarHBondContact O-CB 3.32Å; L39-T42 PolarHBondContact O-N 2.77Å; L39-L43 HydrophobicContact CD1-CD1 3.51Å; L39-L43 HydrophobicContact CD1-CD2 4.19Å; L39-L43 HydrophobicContact CD1-CG 4.46Å; L39-L43 HydrophobicContact CD2-CD2 4.26Å; L39-L43 HydrophobicContact CG-CD1 4.03Å; L39-L43 HydrophobicContact CG-CD2 4.05Å; L39-L43 PolarHBondContact O-N 2.96Å; L39-F48 HydrophobicContact CD2-CB 3.96Å; L39-F48 HydrophobicContact CD2-CD1 3.73Å; L39-F48 HydrophobicContact CD2-CD2 4.02Å; L39-F48 HydrophobicContact CD2-CE1 4.21Å; L39-F48 HydrophobicContact CD2-CE2 4.47Å; L39-F48 HydrophobicContact CD2-CG 3.63Å; L39-V61 HydrophobicContact CB-CG1 3.8Å; L39-V61 HydrophobicContact CD1-CG1 4.43Å; L39-V61 HydrophobicContact CD2-CG1 4.04Å; L39-V61 HydrophobicContact CG-CG1 4.3Å; L39-P62 HydrophobicContact CD1-CG 3.8Å; L39-P62 WeakPolarHBondContact CD1-O 3.28Å
40A77.9Confident75.7Confident5 Ų566.1 Ų66.14%0.04137%0.366CS..Hα-helixtrans-59.5-43.4-179.400000112.3Y5 I36 E37 T42 L43 G44Y5-A40 HydrophobicContact CD1-CB 3.92Å; Y5-A40 HydrophobicContact CD2-CB 4Å; Y5-A40 HydrophobicContact CE1-CB 3.69Å; Y5-A40 HydrophobicContact CE2-CB 3.8Å; Y5-A40 HydrophobicContact CG-CB 4.06Å; I36-A40 WeakPolarHBondContact O-CB 3.4Å; I36-A40 PolarHBondContact O-N 2.94Å; E37-A40 PolarHBondContact O-N 3.26Å; A40-T42 PolarHBondContact O-N 2.69Å; A40-L43 PolarHBondContact O-N 3.06Å; A40-G44 PolarHBondContact O-N 3.22Å
41S77.3Confident74.5Confident99 Ų9964.1 Ų64.169%0.69236%0.36SS*.Hα-helixtrans-62.4-21.1174.275.70000113.9E37 Q38 L39E37-S41 PolarHBondContact O-N 3.29Å; Q38-S41 PolarHBondContact O-N 3.22Å; Q38-S41 PolarHBondContact O-OG 3.29Å; L39-S41 PolarHBondContact O-N 2.87Å
42T75.1Confident73.5Confident92 Ų9265.7 Ų65.756%0.56436%0.362SS*.Hα-helixtrans-96.4-32179.7-49.70000112.5Q38 L39 A40Q38-T42 PolarHBondContact O-N 3.47Å; Q38-T42 PolarHBondContact O-OG1 3.03Å; L39-T42 CarbonylContact O-C 3.59Å; L39-T42 WeakPolarHBondContact O-CA 3.46Å; L39-T42 WeakPolarHBondContact O-CB 3.32Å; L39-T42 PolarHBondContact O-N 2.77Å; A40-T42 PolarHBondContact O-N 2.69Å
43L67.4Low72.2Confident36 Ų3671 Ų7119%0.18840%0.399CS..Hα-helixtrans-82.9-26.1-177.3-102.157.5000113.9L39 A40 N45 H46 F48L39-L43 HydrophobicContact CD1-CD1 3.51Å; L39-L43 HydrophobicContact CD1-CD2 4.19Å; L39-L43 HydrophobicContact CD1-CG 4.46Å; L39-L43 HydrophobicContact CD2-CD2 4.26Å; L39-L43 HydrophobicContact CG-CD1 4.03Å; L39-L43 HydrophobicContact CG-CD2 4.05Å; L39-L43 PolarHBondContact O-N 2.96Å; A40-L43 PolarHBondContact O-N 3.06Å; L43-N45 PolarHBondContact O-N 3.44Å; L43-H46 HydrophobicContact CB-CB 4.15Å; L43-H46 HydrophobicContact CD2-CB 4.43Å; L43-H46 HydrophobicContact CG-CB 3.94Å; L43-H46 WeakPolarHBondContact O-CB 3.38Å; L43-H46 PolarHBondContact O-CD2 3.17Å; L43-H46 PolarHBondContact O-N 3.5Å; L43-F48 HydrophobicContact CD2-CB 4.03Å; L43-F48 HydrophobicContact CD2-CD1 4.28Å
44G65.7Low71.3Confident32 Ų3270.2 Ų70.233%0.3341%0.41SS..THydrogen-bonded Turntrans58.3-110.5-175.200000111.6A40A40-G44 PolarHBondContact O-N 3.22Å
45N56.8Low70.8Confident150 Ų15067.8 Ų67.880%0.80241%0.409SS*.THydrogen-bonded Turntrans-92.33.1179.3-68.44.6000113.9L43L43-N45 PolarHBondContact O-N 3.44Å
46H56.4Low70.5Confident141 Ų14173 Ų7365%0.65343%0.433SS*.  trans-80.8148.7177.5-65.5-65.9000112.5L43L43-H46 HydrophobicContact CB-CB 4.15Å; L43-H46 HydrophobicContact CD2-CB 4.43Å; L43-H46 HydrophobicContact CG-CB 3.94Å; L43-H46 WeakPolarHBondContact O-CB 3.38Å; L43-H46 PolarHBondContact O-CD2 3.17Å; L43-H46 PolarHBondContact O-N 3.5Å
47S58.8Low70.3Confident63 Ų6373 Ų7344%0.44144%0.44SS..  trans-101.3146.8-177.757.70000113.3L3L3-S47 WeakPolarHBondContact O-CB 3.49Å
48F66.3Low70.3Confident37 Ų3769.8 Ų69.816%0.16243%0.43CS..BIsolated β-bridgetrans-117.9120.317667.8-85.2000112L3 I36 L39 L43 I50L3-F48 CarbonylContact C-O 3.46Å; L3-F48 HydrophobicContact CB-CE2 4.22Å; L3-F48 HydrophobicContact CB-CZ 4.25Å; L3-F48 WeakPolarHBondContact CB-O 3.42Å; L3-F48 HydrophobicContact CD1-CE2 3.8Å; L3-F48 HydrophobicContact CD1-CZ 4.1Å; L3-F48 PolarHBondContact N-O 2.67Å; L3-F48 CarbonylContact O-C 3.58Å; L3-F48 PolarHBondContact O-N 2.68Å; L3-F48 VanDerWaalsContact O-N 3.1Å; I36-F48 HydrophobicContact CG2-CZ 4.2Å; L39-F48 HydrophobicContact CD2-CB 3.96Å; L39-F48 HydrophobicContact CD2-CD1 3.73Å; L39-F48 HydrophobicContact CD2-CD2 4.02Å; L39-F48 HydrophobicContact CD2-CE1 4.21Å; L39-F48 HydrophobicContact CD2-CE2 4.47Å; L39-F48 HydrophobicContact CD2-CG 3.63Å; L43-F48 HydrophobicContact CD2-CB 4.03Å; L43-F48 HydrophobicContact CD2-CD1 4.28Å; F48-I50 HydrophobicContact CD2-CD1 4.4Å; F48-I50 HydrophobicContact CD2-CG1 4.13Å; F48-I50 HydrophobicContact CE2-CD1 3.93Å; F48-I50 HydrophobicContact CE2-CG1 4.12Å; F48-I50 PolarHBondContact O-N 2.87Å
49S58.4Low70.2Confident76 Ų7666.1 Ų66.153%0.53141%0.413SS..  trans-85.8112.1-174.556.70000113.1S2 T51S2-S49 WeakPolarHBondContact OG-CA 3.36Å; S2-S49 WeakPolarHBondContact OG-CB 3.35Å; S49-T51 PolarHBondContact O-N 3.4Å
50I68.2Low70.3Confident11 Ų1171.2 Ų71.26%0.05644%0.439CS..  trans-90.399.8165.4-63.1-173.3000110.3M1 L3 F48 F52 F59M1-I50 CarbonylContact C-O 3.46Å; M1-I50 PolarHBondContact N-O 3.21Å; M1-I50 CarbonylContact O-C 3.57Å; L3-I50 HydrophobicContact CD1-CB 4.15Å; L3-I50 HydrophobicContact CD1-CD1 3.75Å; L3-I50 HydrophobicContact CD1-CG1 3.98Å; F48-I50 HydrophobicContact CD2-CD1 4.4Å; F48-I50 HydrophobicContact CD2-CG1 4.13Å; F48-I50 HydrophobicContact CE2-CD1 3.93Å; F48-I50 HydrophobicContact CE2-CG1 4.12Å; F48-I50 PolarHBondContact O-N 2.87Å; I50-F52 HydrophobicContact CG2-CD1 4.15Å; I50-F59 HydrophobicContact CD1-CB 3.93Å; I50-F59 HydrophobicContact CD1-CD1 3.95Å; I50-F59 HydrophobicContact CD1-CD2 3.72Å; I50-F59 HydrophobicContact CD1-CE1 4.38Å; I50-F59 HydrophobicContact CD1-CE2 4.16Å; I50-F59 HydrophobicContact CD1-CG 3.61Å; I50-F59 HydrophobicContact CD1-CZ 4.48Å; I50-F59 HydrophobicContact CG1-CB 3.98Å; I50-F59 HydrophobicContact CG1-CG 4.24Å; I50-F59 HydrophobicContact CG2-CB 4.01Å; I50-F59 HydrophobicContact CG2-CD1 4.49Å; I50-F59 HydrophobicContact CG2-CG 4.48Å
51T61.6Low70.5Confident105 Ų10571.1 Ų71.164%0.64444%0.438SS*.  trans-90.4131.3172.150.50000110.8S49S49-T51 PolarHBondContact O-N 3.4Å
52F68.2Low70.6Confident69 Ų6969.9 Ų69.930%0.30343%0.427SS..  trans-152.2158.4178.765.5-88.4000111.3M1 I50 F72 T74 I105M1-F52 HydrophobicContact CG-CE1 4.44Å; M1-F52 HydrophobicContact SD-CE1 4.42Å; I50-F52 HydrophobicContact CG2-CD1 4.15Å; F52-F72 HydrophobicContact CB-CE2 4Å; F52-F72 HydrophobicContact CB-CZ 3.51Å; F52-F72 HydrophobicContact CD2-CE2 4.26Å; F52-F72 HydrophobicContact CG-CE2 4.13Å; F52-F72 HydrophobicContact CG-CZ 4.03Å; F52-T74 HydrophobicContact CD2-CG2 4.28Å; F52-T74 HydrophobicContact CE2-CG2 4.08Å; F52-I105 HydrophobicContact CE1-CD1 3.84Å; F52-I105 HydrophobicContact CE2-CD1 4.4Å; F52-I105 HydrophobicContact CZ-CD1 3.65Å
53S61.6Low70.5Confident111 Ų11166.7 Ų66.778%0.77641%0.407SS*.  trans-153.3121.2-174.954.60000110.2
54G69.9Low70.7Confident60 Ų6068.4 Ų68.462%0.61943%0.433SS*.SBendtrans94.7-173.9-173.700000113.2E56G54-E56 VanDerWaalsContact C-N 3.32Å; G54-E56 PolarHBondContact O-N 2.99Å
55S76.3Confident71Confident83 Ų8377 Ų7758%0.5846%0.461SS*.SBendtrans-79.3-9.8-174.651.90000114.8S73 T74S55-S73 CarbonylContact O-C 3.55Å; S55-S73 WeakPolarHBondContact O-CA 3.41Å; S55-T74 WeakPolarHBondContact CA-OG1 3.25Å; S55-T74 PolarHBondContact O-N 3.37Å; S55-T74 PolarHBondContact O-OG1 3.33Å
56E80.6Confident71.7Confident130 Ų13075.9 Ų75.961%0.60746%0.455SS*.EExtended strand (participates in β ladder)trans-140.2160.1179.2-62.4-167.7139.900109.9G54 F72G54-E56 VanDerWaalsContact C-N 3.32Å; G54-E56 PolarHBondContact O-N 2.99Å; E56-F72 WeakPolarHBondContact CA-O 3.28Å
57G80.9Confident72.8Confident28 Ų2873.3 Ų73.329%0.28945%0.453SS..EExtended strand (participates in β ladder)trans-174.3-169173.900000113.6T71 F72G57-T71 CarbonylContact O-C 3.56Å; G57-T71 VanDerWaalsContact O-CA 3.31Å; G57-T71 WeakPolarHBondContact O-CA 3.43Å; G57-F72 PolarHBondContact N-O 3.14Å; G57-F72 PolarHBondContact O-N 3.48Å
58S83Confident73.9Confident47 Ų4771.6 Ų71.633%0.32944%0.441SS..EExtended strand (participates in β ladder)trans-145141.5172.4670000112.4K69 F70 F72S58-K69 VanDerWaalsContact CB-CE 3.46Å; S58-K69 WeakPolarHBondContact OG-CE 3.45Å; S58-F70 CarbonylContact C-O 3.59Å; S58-F70 WeakPolarHBondContact CA-O 3.23Å; S58-F70 VanDerWaalsContact CB-O 3.22Å; S58-F70 WeakPolarHBondContact CB-O 3.44Å; S58-F72 VanDerWaalsContact N-CE1 3.34Å
59F82.2Confident74.9Confident13 Ų1375.8 Ų75.86%0.05746%0.46CS..EExtended strand (participates in β ladder)trans-115.3166.3169.963.8-90000111.1I36 I50 V61 K69 F70 F72 V107I36-F59 HydrophobicContact CD1-CE2 4.23Å; I36-F59 HydrophobicContact CD1-CZ 4.38Å; I50-F59 HydrophobicContact CD1-CB 3.93Å; I50-F59 HydrophobicContact CD1-CD1 3.95Å; I50-F59 HydrophobicContact CD1-CD2 3.72Å; I50-F59 HydrophobicContact CD1-CE1 4.38Å; I50-F59 HydrophobicContact CD1-CE2 4.16Å; I50-F59 HydrophobicContact CD1-CG 3.61Å; I50-F59 HydrophobicContact CD1-CZ 4.48Å; I50-F59 HydrophobicContact CG1-CB 3.98Å; I50-F59 HydrophobicContact CG1-CG 4.24Å; I50-F59 HydrophobicContact CG2-CB 4.01Å; I50-F59 HydrophobicContact CG2-CD1 4.49Å; I50-F59 HydrophobicContact CG2-CG 4.48Å; F59-V61 HydrophobicContact CD2-CG2 3.77Å; F59-V61 HydrophobicContact CE2-CG2 3.56Å; F59-K69 WeakPolarHBondContact O-CA 3.26Å; F59-F70 HydrophobicContact CD1-CB 4.34Å; F59-F70 HydrophobicContact CD2-CB 4.38Å; F59-F70 HydrophobicContact CD2-CD2 4.32Å; F59-F70 HydrophobicContact CE1-CB 3.88Å; F59-F70 HydrophobicContact CE2-CB 3.94Å; F59-F70 AromaticContact CE2-CD2 3.69Å; F59-F70 HydrophobicContact CE2-CD2 3.69Å; F59-F70 HydrophobicContact CE2-CG 4.13Å; F59-F70 HydrophobicContact CZ-CB 3.66Å; F59-F70 HydrophobicContact CZ-CD2 4.09Å; F59-F70 HydrophobicContact CZ-CG 4.08Å; F59-F70 PolarHBondContact N-O 3.3Å; F59-F70 PolarHBondContact O-N 2.96Å; F59-F72 AromaticContact CD1-CD1 3.56Å; F59-F72 HydrophobicContact CD1-CD1 3.56Å; F59-F72 AromaticContact CD1-CE1 3.8Å; F59-F72 HydrophobicContact CD1-CE1 3.8Å; F59-F72 AromaticContact CE1-CD1 3.94Å; F59-F72 HydrophobicContact CE1-CD1 3.94Å; F59-V107 HydrophobicContact CE1-CG2 3.94Å; F59-V107 HydrophobicContact CZ-CG2 4.07Å
60I83.9Confident76.3Confident108 Ų10872.3 Ų72.355%0.55444%0.435SS*.EExtended strand (participates in β ladder)trans-125.6129178.9-60.8174.9000108S68 K69I60-S68 CarbonylContact C-O 3.45Å; I60-S68 WeakPolarHBondContact CA-O 3.22Å; I60-K69 HydrophobicContact CG1-CB 4.38Å; I60-K69 HydrophobicContact CG1-CG 4.29Å
61V82.6Confident77.2Confident2 Ų275 Ų751%0.01245%0.452CS..EExtended strand (participates in β ladder)trans-101.7112.1175.2-173.60000108.3D35 I36 L39 F59 I63 S67 S68 F70D35-V61 HydrophobicContact CB-CB 4.5Å; D35-V61 HydrophobicContact CB-CG1 4.19Å; D35-V61 WeakPolarHBondContact O-CG1 3.43Å; I36-V61 HydrophobicContact CG1-CG2 4.2Å; L39-V61 HydrophobicContact CB-CG1 3.8Å; L39-V61 HydrophobicContact CD1-CG1 4.43Å; L39-V61 HydrophobicContact CD2-CG1 4.04Å; L39-V61 HydrophobicContact CG-CG1 4.3Å; F59-V61 HydrophobicContact CD2-CG2 3.77Å; F59-V61 HydrophobicContact CE2-CG2 3.56Å; V61-I63 HydrophobicContact CG1-CD1 4.06Å; V61-I63 HydrophobicContact CG1-CG1 3.84Å; V61-I63 PolarHBondContact O-N 3.48Å; V61-S67 WeakPolarHBondContact O-CA 3.47Å; V61-S68 PolarHBondContact N-O 2.9Å; V61-S68 PolarHBondContact O-N 3.03Å; V61-F70 HydrophobicContact CB-CE2 4.39Å; V61-F70 HydrophobicContact CG2-CD2 3.86Å; V61-F70 HydrophobicContact CG2-CE2 3.81Å
62P77.8Confident78.6Confident73 Ų7370.1 Ų70.147%0.47442%0.422SS..EExtended strand (participates in β ladder)trans-84.6104.2-179.131.4-32.8000111.5L39L39-P62 HydrophobicContact CD1-CG 3.8Å; L39-P62 WeakPolarHBondContact CD1-O 3.28Å
63I74Confident79.5Confident26 Ų2668.7 Ų68.713%0.13342%0.42CS..EExtended strand (participates in β ladder)trans-107.986.8-176.5-56-179.3000109.2D35 Q38 V61 K65 N66D35-I63 HydrophobicContact CB-CD1 3.57Å; D35-I63 VanDerWaalsContact CG-CD1 3.44Å; Q38-I63 VanDerWaalsContact CD-CG2 3.43Å; Q38-I63 HydrophobicContact CG-CG2 3.93Å; V61-I63 HydrophobicContact CG1-CD1 4.06Å; V61-I63 HydrophobicContact CG1-CG1 3.84Å; V61-I63 PolarHBondContact O-N 3.48Å; I63-K65 PolarHBondContact O-N 3.03Å; I63-N66 CarbonylContact C-O 3.55Å; I63-N66 WeakPolarHBondContact CA-O 3.24Å; I63-N66 PolarHBondContact N-O 3.02Å; I63-N66 PolarHBondContact O-N 3.08Å
64G72Confident80.7Confident72 Ų7265.4 Ų65.474%0.74240%0.395SS*.THydrogen-bonded Turntrans62.6-106-178.100000111.8
65K71.1Confident81.5Confident212 Ų21265.4 Ų65.492%0.92239%0.386SS*.THydrogen-bonded Turntrans-92.7-13.4177.8-66.2-176.3179179.80113.9I63I63-K65 PolarHBondContact O-N 3.03Å
66N72.3Confident81.8Confident126 Ų12664.1 Ų64.167%0.67438%0.377SS*.EExtended strand (participates in β ladder)trans-109.2152.4-175-664.4000110.3I63I63-N66 CarbonylContact C-O 3.55Å; I63-N66 WeakPolarHBondContact CA-O 3.24Å; I63-N66 PolarHBondContact N-O 3.02Å; I63-N66 PolarHBondContact O-N 3.08Å
67S78.9Confident81.5Confident88 Ų8858.6 Ų58.662%0.61535%0.352SS*.EExtended strand (participates in β ladder)trans-129.7112.1179.956.50000111.6V61V61-S67 WeakPolarHBondContact O-CA 3.47Å
68S82.5Confident80.7Confident27 Ų2762.3 Ų62.319%0.18937%0.369CS..EExtended strand (participates in β ladder)trans-84.8115.1176.6-89.60000110.5D35 I60 V61 F70D35-S68 WeakPolarHBondContact OD2-CB 3.26Å; D35-S68 PolarHBondContact OD2-OG 3.39Å; I60-S68 CarbonylContact C-O 3.45Å; I60-S68 WeakPolarHBondContact CA-O 3.22Å; V61-S68 PolarHBondContact N-O 2.9Å; V61-S68 PolarHBondContact O-N 3.03Å; S68-F70 VanDerWaalsContact CB-CE2 3.46Å
69K85.9Confident79.4Confident125 Ų12564.7 Ų64.754%0.54339%0.386SS..EExtended strand (participates in β ladder)trans-82.9134.6167.4-170.9177.6-178.8-179.40110.2S58 F59 I60 K110S58-K69 VanDerWaalsContact CB-CE 3.46Å; S58-K69 WeakPolarHBondContact OG-CE 3.45Å; F59-K69 WeakPolarHBondContact O-CA 3.26Å; I60-K69 HydrophobicContact CG1-CB 4.38Å; I60-K69 HydrophobicContact CG1-CG 4.29Å; K69-K110 WeakPolarHBondContact O-CE 3.3Å
70F87.9Confident78Confident3 Ų368 Ų681%0.01341%0.407CS..EExtended strand (participates in β ladder)trans-127.4136.8173.3-66.7-81.3000109.9A32 D35 S58 F59 V61 S68 V107A32-F70 VanDerWaalsContact CA-CZ 3.48Å; A32-F70 HydrophobicContact CB-CD1 3.83Å; A32-F70 HydrophobicContact CB-CD2 4.49Å; A32-F70 HydrophobicContact CB-CE1 3.67Å; A32-F70 HydrophobicContact CB-CE2 4.34Å; A32-F70 HydrophobicContact CB-CG 4.24Å; A32-F70 HydrophobicContact CB-CZ 3.96Å; D35-F70 HydrophobicContact CB-CE2 3.93Å; D35-F70 HydrophobicContact CB-CZ 3.97Å; D35-F70 WeakPolarHBondContact OD2-CE2 3.36Å; D35-F70 VanDerWaalsContact OD2-CZ 3.27Å; D35-F70 WeakPolarHBondContact OD2-CZ 3.44Å; S58-F70 CarbonylContact C-O 3.59Å; S58-F70 WeakPolarHBondContact CA-O 3.23Å; S58-F70 VanDerWaalsContact CB-O 3.22Å; S58-F70 WeakPolarHBondContact CB-O 3.44Å; F59-F70 HydrophobicContact CD1-CB 4.34Å; F59-F70 HydrophobicContact CD2-CB 4.38Å; F59-F70 HydrophobicContact CD2-CD2 4.32Å; F59-F70 HydrophobicContact CE1-CB 3.88Å; F59-F70 HydrophobicContact CE2-CB 3.94Å; F59-F70 AromaticContact CE2-CD2 3.69Å; F59-F70 HydrophobicContact CE2-CD2 3.69Å; F59-F70 HydrophobicContact CE2-CG 4.13Å; F59-F70 HydrophobicContact CZ-CB 3.66Å; F59-F70 HydrophobicContact CZ-CD2 4.09Å; F59-F70 HydrophobicContact CZ-CG 4.08Å; F59-F70 PolarHBondContact N-O 3.3Å; F59-F70 PolarHBondContact O-N 2.96Å; V61-F70 HydrophobicContact CB-CE2 4.39Å; V61-F70 HydrophobicContact CG2-CD2 3.86Å; V61-F70 HydrophobicContact CG2-CE2 3.81Å; S68-F70 VanDerWaalsContact CB-CE2 3.46Å; F70-V107 HydrophobicContact CB-CG1 4.06Å; F70-V107 HydrophobicContact CD1-CG1 4.08Å; F70-V107 HydrophobicContact CG-CG1 4.39Å
71T88.7Confident76.5Confident68 Ų6871.5 Ų71.542%0.41742%0.421SS..EExtended strand (participates in β ladder)trans-95.5154.4169.442.70000110.3G57 N108G57-T71 CarbonylContact O-C 3.56Å; G57-T71 VanDerWaalsContact O-CA 3.31Å; G57-T71 WeakPolarHBondContact O-CA 3.43Å; T71-N108 PolarHBondContact O-N 3.02Å
72F89.3Confident75.2Confident2 Ų278.6 Ų78.61%0.00946%0.459CS..EExtended strand (participates in β ladder)trans-150.9160.4177.861.2-90.2000111.3F52 E56 G57 S58 F59 T74 I105 T106 V107F52-F72 HydrophobicContact CB-CE2 4Å; F52-F72 HydrophobicContact CB-CZ 3.51Å; F52-F72 HydrophobicContact CD2-CE2 4.26Å; F52-F72 HydrophobicContact CG-CE2 4.13Å; F52-F72 HydrophobicContact CG-CZ 4.03Å; E56-F72 WeakPolarHBondContact CA-O 3.28Å; G57-F72 PolarHBondContact N-O 3.14Å; G57-F72 PolarHBondContact O-N 3.48Å; S58-F72 VanDerWaalsContact N-CE1 3.34Å; F59-F72 AromaticContact CD1-CD1 3.56Å; F59-F72 HydrophobicContact CD1-CD1 3.56Å; F59-F72 AromaticContact CD1-CE1 3.8Å; F59-F72 HydrophobicContact CD1-CE1 3.8Å; F59-F72 AromaticContact CE1-CD1 3.94Å; F59-F72 HydrophobicContact CE1-CD1 3.94Å; F72-T74 HydrophobicContact CD2-CG2 3.92Å; F72-T74 HydrophobicContact CE2-CG2 3.88Å; F72-I105 HydrophobicContact CB-CG2 4.11Å; F72-I105 HydrophobicContact CD2-CG2 3.8Å; F72-I105 HydrophobicContact CG-CG2 4.03Å; F72-T106 CarbonylContact C-O 3.52Å; F72-T106 WeakPolarHBondContact CA-O 3.43Å; F72-T106 WeakPolarHBondContact CB-O 3.15Å; F72-V107 HydrophobicContact CB-CG2 4.47Å
73S87.9Confident74.2Confident39 Ų3979.3 Ų79.327%0.27346%0.456SS..EExtended strand (participates in β ladder)trans-115.4153.4169.8500000110.3S55 T106 N108S55-S73 CarbonylContact O-C 3.55Å; S55-S73 WeakPolarHBondContact O-CA 3.41Å; S73-T106 PolarHBondContact N-O 3.49Å; S73-T106 PolarHBondContact O-N 2.93Å; S73-N108 PolarHBondContact N-OD1 3.21Å; S73-N108 PolarHBondContact OG-OD1 2.89Å
74T88Confident73.7Confident41 Ų4182 Ų8225%0.25248%0.477SS..EExtended strand (participates in β ladder)trans-122.1129.5178.375.40000110.5F52 S55 F72 R104 I105F52-T74 HydrophobicContact CD2-CG2 4.28Å; F52-T74 HydrophobicContact CE2-CG2 4.08Å; S55-T74 WeakPolarHBondContact CA-OG1 3.25Å; S55-T74 PolarHBondContact O-N 3.37Å; S55-T74 PolarHBondContact O-OG1 3.33Å; F72-T74 HydrophobicContact CD2-CG2 3.92Å; F72-T74 HydrophobicContact CE2-CG2 3.88Å; T74-R104 CarbonylContact C-O 3.6Å; T74-R104 WeakPolarHBondContact CA-O 3.42Å; T74-I105 HydrophobicContact CG2-CG1 4.09Å
75S85.8Confident73.7Confident60 Ų6082.2 Ų82.242%0.4246%0.457SS..EExtended strand (participates in β ladder)trans-128.2154.8176.457.10000111.9R104S75-R104 PolarHBondContact N-O 2.98Å; S75-R104 PolarHBondContact O-N 3.4Å
76S82.4Confident74Confident57 Ų5775.7 Ų75.740%0.39943%0.433SS..EExtended strand (participates in β ladder)trans-80.4141.8170-177.50000110.4T78 S79 V102S76-T78 VanDerWaalsContact C-N 3.29Å; S76-T78 WeakPolarHBondContact OG-CB 3.26Å; S76-T78 PolarHBondContact OG-N 2.81Å; S76-T78 PolarHBondContact OG-OG1 2.89Å; S76-S79 PolarHBondContact O-OG 3.03Å; S76-V102 PolarHBondContact OG-O 3.26Å
77L74.1Confident74.2Confident14 Ų1471.6 Ų71.67%0.07341%0.413CS..SBendtrans-84.4-2.2167.5-67123.7000112.5H25 F85 M101 V102 S103 R104H25-L77 HydrophobicContact CB-CD1 4.31Å; L77-F85 HydrophobicContact CD2-CD2 3.37Å; L77-F85 HydrophobicContact CD2-CE2 3.63Å; L77-F85 HydrophobicContact CD2-CG 4.25Å; L77-M101 HydrophobicContact CD1-CB 4.06Å; L77-V102 PolarHBondContact N-O 2.84Å; L77-S103 VanDerWaalsContact CD1-O 3.29Å; L77-S103 WeakPolarHBondContact CD1-O 3.43Å; L77-R104 HydrophobicContact CD1-CB 3.89Å; L77-R104 VanDerWaalsContact CD2-NH2 3.29Å; L77-R104 HydrophobicContact CG-CB 4.04Å
78T64.5Low74.1Confident106 Ų10671.9 Ų71.965%0.6541%0.408SS*.SBendtrans-93.79.1-173.976.20000114.4S76S76-T78 VanDerWaalsContact C-N 3.29Å; S76-T78 WeakPolarHBondContact OG-CB 3.26Å; S76-T78 PolarHBondContact OG-N 2.81Å; S76-T78 PolarHBondContact OG-OG1 2.89Å
79S56.7Low73.6Confident97 Ų9772.6 Ų72.668%0.67841%0.406SS*.SBendtrans-99.1-13.8-169.753.20000115.1S76S76-S79 PolarHBondContact O-OG 3.03Å
80T51.6Low73Confident82 Ų8271.6 Ų71.650%0.50341%0.41SS..SBendtrans-114149173.653.20000110.1D82T80-D82 PolarHBondContact O-N 3.11Å
81H53.4Low71.9Confident182 Ų18276.9 Ų76.984%0.84343%0.433SS*.SBendtrans-76.7-8.1-163-153.8-69.5000114.3
82D53.4Low71Confident151 Ų15177.4 Ų77.481%0.80745%0.452SS*.SBendtrans-130.8-11.4-168.4-58.3-71.2000115.2T80 S84T80-D82 PolarHBondContact O-N 3.11Å; D82-S84 PolarHBondContact O-N 3.3Å
83E58.2Low70.1Confident88 Ų8883.2 Ų83.241%0.41149%0.487SS..  trans-92.751.2-173.2-103.7-169.1-111.100114.2F85 R104E83-F85 HydrophobicContact CB-CE2 4Å; E83-F85 HydrophobicContact CG-CE2 3.92Å; E83-F85 HydrophobicContact CG-CZ 4.33Å; E83-F85 WeakPolarHBondContact O-CD2 3.45Å; E83-F85 WeakPolarHBondContact O-CE2 3.45Å; E83-F85 PolarHBondContact O-N 2.88Å; E83-F85 WeakPolarHBondContact OE2-CE2 3.26Å; E83-R104 IonicContact OE2-CZ 3.95Å; E83-R104 IonicContact OE2-NH1 3.87Å; E83-R104 IonicContact OE2-NH2 3.3Å; E83-R104 PolarHBondContact OE2-NH2 2.84Å
84S63.9Low69Low83 Ų8384 Ų8458%0.5849%0.493SS*.  trans-86.9106.9176.991.30000112.7D82D82-S84 PolarHBondContact O-N 3.3Å
85F71.6Confident68.2Low75 Ų7585.3 Ų85.333%0.32950%0.501SS..  trans-90.1114.7179.9-64.4-104.8000111.6L77 E83 K100 M101L77-F85 HydrophobicContact CD2-CD2 3.37Å; L77-F85 HydrophobicContact CD2-CE2 3.63Å; L77-F85 HydrophobicContact CD2-CG 4.25Å; E83-F85 HydrophobicContact CB-CE2 4Å; E83-F85 HydrophobicContact CG-CE2 3.92Å; E83-F85 HydrophobicContact CG-CZ 4.33Å; E83-F85 WeakPolarHBondContact O-CD2 3.45Å; E83-F85 WeakPolarHBondContact O-CE2 3.45Å; E83-F85 PolarHBondContact O-N 2.88Å; E83-F85 WeakPolarHBondContact OE2-CE2 3.26Å; F85-K100 WeakPolarHBondContact O-CA 3.38Å; F85-M101 HydrophobicContact CB-CB 4.33Å; F85-M101 HydrophobicContact CB-CE 3.47Å; F85-M101 VanDerWaalsContact CB-CE 3.47Å; F85-M101 HydrophobicContact CD1-CE 4.16Å; F85-M101 HydrophobicContact CG-CE 4.06Å; F85-M101 PolarHBondContact O-N 3.49Å
86N76.5Confident67.4Low76 Ų7685.2 Ų85.241%0.40650%0.496SS..EExtended strand (participates in β ladder)trans-93.4134.9167.9-57.5-82.7000109.4L88 G99 K100N86-L88 HydrophobicContact CB-CD2 4.49Å; N86-G99 WeakPolarHBondContact CA-O 3.49Å; N86-K100 VanDerWaalsContact OD1-CE 3.24Å; N86-K100 WeakPolarHBondContact OD1-CE 3.45Å; N86-K100 WeakPolarHBondContact OD1-CG 3.34Å
87C76.1Confident66.9Low40 Ų4085.6 Ų85.627%0.2750%0.498SS..EExtended strand (participates in β ladder)trans-92.9128.5172.2-176.40000110.3L23 L98 G99L23-C87 HydrophobicContact CD2-CB 3.35Å; C87-L98 HydrophobicContact CB-CB 4.39Å; C87-L98 PolarHBondContact O-N 2.88Å; C87-G99 PolarHBondContact N-O 2.86Å
88L77.6Confident66.8Low94 Ų9486.9 Ų86.949%0.49251%0.505SS..EExtended strand (participates in β ladder)trans-121127.4-176.3-53.5179.6000109.8N86 C97N86-L88 HydrophobicContact CB-CD2 4.49Å; L88-C97 HydrophobicContact CD2-CB 3.8Å
89R72.2Confident67.3Low42 Ų4283 Ų8316%0.15849%0.485CS..EExtended strand (participates in β ladder)trans-100.3110.2172.6179.3175.468.7165.1-2109.6S9 N10 D14 N96 L98S9-R89 PolarHBondContact O-NH1 3.07Å; N10-R89 PolarHBondContact O-NH1 3.33Å; D14-R89 IonicContact OD2-CZ 3.81Å; D14-R89 IonicContact OD2-NH2 3.49Å; D14-R89 PolarHBondContact OD2-NH2 2.63Å; R89-N96 HydrophobicContact CB-CB 4.46Å; R89-N96 PolarHBondContact N-O 3Å; R89-N96 PolarHBondContact O-N 3.47Å; R89-L98 HydrophobicContact CB-CD1 4.02Å; R89-L98 HydrophobicContact CB-CD2 3.68Å; R89-L98 HydrophobicContact CB-CG 3.87Å
90T72.8Confident68.1Low103 Ų10380.6 Ų80.663%0.63246%0.463SS*.EExtended strand (participates in β ladder)trans-78.9126.9167.842.10000109.9S94 T95T90-S94 CarbonylContact C-O 3.58Å; T90-S94 WeakPolarHBondContact CA-O 3.48Å; T90-T95 HydrophobicContact CG2-CG2 4Å
91K64.7Low69.5Low115 Ų11578.2 Ų78.250%0.545%0.446SS..EExtended strand (participates in β ladder)trans-133.895.2171.5-172.8164.9179.7170.70108.6N10 V93 S94N10-K91 PolarHBondContact OD1-NZ 3.44Å; K91-V93 PolarHBondContact O-N 3.38Å; K91-S94 PolarHBondContact N-O 3.01Å; K91-S94 PolarHBondContact O-N 3.31Å; K91-S94 VanDerWaalsContact O-N 3.1Å; K91-S94 PolarHBondContact O-OG 3.13Å
92G70.7Confident70.6Confident78 Ų7872.2 Ų72.280%0.80442%0.423SS*.THydrogen-bonded Turntrans62.6-125.6-168.400000110.6S94G92-S94 VanDerWaalsContact C-N 3.32Å
93V69.1Low72Confident124 Ų12466.3 Ų66.375%0.75239%0.393SS*.THydrogen-bonded Turntrans-78.1-17.2176.2-168.50000112.1K91K91-V93 PolarHBondContact O-N 3.38Å
94S65.9Low73.4Confident57 Ų5764.7 Ų64.740%0.39938%0.383SS..EExtended strand (participates in β ladder)trans-82.9132.7-176.571.70000113T90 K91 G92 N96T90-S94 CarbonylContact C-O 3.58Å; T90-S94 WeakPolarHBondContact CA-O 3.48Å; K91-S94 PolarHBondContact N-O 3.01Å; K91-S94 PolarHBondContact O-N 3.31Å; K91-S94 VanDerWaalsContact O-N 3.1Å; K91-S94 PolarHBondContact O-OG 3.13Å; G92-S94 VanDerWaalsContact C-N 3.32Å; S94-N96 PolarHBondContact OG-ND2 3.4Å
95T71.2Confident74.6Confident67 Ų6761 Ų6141%0.41136%0.356SS..EExtended strand (participates in β ladder)trans-110.7112.2175.137.90000109.8T90T90-T95 HydrophobicContact CG2-CG2 4Å
96N67.9Low75.5Confident58 Ų5858.8 Ų58.831%0.3135%0.349SS..EExtended strand (participates in β ladder)trans-110.1117.1-177.9-63.9-79.8000110.3R89 S94 L98R89-N96 HydrophobicContact CB-CB 4.46Å; R89-N96 PolarHBondContact N-O 3Å; R89-N96 PolarHBondContact O-N 3.47Å; S94-N96 PolarHBondContact OG-ND2 3.4Å; N96-L98 PolarHBondContact O-N 3.03Å
97C73Confident76.2Confident66 Ų6655.5 Ų55.545%0.44633%0.332SS..EExtended strand (participates in β ladder)trans-74.4112.7173.5-175.70000109.9L88L88-C97 HydrophobicContact CD2-CB 3.8Å
98L71.6Confident76.8Confident41 Ų4156.3 Ų56.322%0.21533%0.334CS..EExtended strand (participates in β ladder)trans-77.4-32.5-178.8-58-169000112F13 C87 R89 N96F13-L98 HydrophobicContact CB-CD2 4.08Å; F13-L98 HydrophobicContact CD2-CB 4.08Å; F13-L98 HydrophobicContact CD2-CD1 3.9Å; F13-L98 HydrophobicContact CD2-CD2 3.73Å; F13-L98 HydrophobicContact CD2-CG 4.12Å; F13-L98 HydrophobicContact CE2-CB 4.1Å; F13-L98 HydrophobicContact CE2-CD1 3.9Å; F13-L98 HydrophobicContact CE2-CD2 4.48Å; F13-L98 HydrophobicContact CE2-CG 4.39Å; F13-L98 HydrophobicContact CG-CB 4.38Å; F13-L98 HydrophobicContact CG-CD2 4.04Å; F13-L98 HydrophobicContact CZ-CB 4.42Å; C87-L98 HydrophobicContact CB-CB 4.39Å; C87-L98 PolarHBondContact O-N 2.88Å; R89-L98 HydrophobicContact CB-CD1 4.02Å; R89-L98 HydrophobicContact CB-CD2 3.68Å; R89-L98 HydrophobicContact CB-CG 3.87Å; N96-L98 PolarHBondContact O-N 3.03Å
99G74.7Confident77.1Confident24 Ų2453.7 Ų53.725%0.24733%0.325CS..EExtended strand (participates in β ladder)trans160.8-178.8179.800000113.3N86 C87N86-G99 WeakPolarHBondContact CA-O 3.49Å; C87-G99 PolarHBondContact N-O 2.86Å
100K74.2Confident77.6Confident46 Ų4654.6 Ų54.620%0.233%0.33CS..EExtended strand (participates in β ladder)trans-96.9133169.1-81172.3167.1176.70109F85 N86 Q255 S256F85-K100 WeakPolarHBondContact O-CA 3.38Å; N86-K100 VanDerWaalsContact OD1-CE 3.24Å; N86-K100 WeakPolarHBondContact OD1-CE 3.45Å; N86-K100 WeakPolarHBondContact OD1-CG 3.34Å; K100-Q255 PolarHBondContact NZ-O 3.19Å; K100-S256 WeakPolarHBondContact CD-OG 3.46Å; K100-S256 PolarHBondContact NZ-OG 3.19Å; K100-S256 VanDerWaalsContact NZ-OG 3.14Å
101M80.4Confident77.8Confident33 Ų3356.5 Ų56.516%0.16333%0.332CS..EExtended strand (participates in β ladder)trans-75.4126169.1-63-171.4-67.200108.5L23 H25 L77 F85L23-M101 HydrophobicContact CB-CG 4.43Å; L23-M101 HydrophobicContact CD2-CG 3.67Å; L23-M101 HydrophobicContact CG-CG 3.88Å; L23-M101 WeakPolarHBondContact O-CA 3.13Å; H25-M101 HydrophobicContact CB-CB 4.44Å; H25-M101 HydrophobicContact CB-CE 4.13Å; H25-M101 HydrophobicContact CB-SD 3.65Å; L77-M101 HydrophobicContact CD1-CB 4.06Å; F85-M101 HydrophobicContact CB-CB 4.33Å; F85-M101 HydrophobicContact CB-CE 3.47Å; F85-M101 VanDerWaalsContact CB-CE 3.47Å; F85-M101 HydrophobicContact CD1-CE 4.16Å; F85-M101 HydrophobicContact CG-CE 4.06Å; F85-M101 PolarHBondContact O-N 3.49Å
102V78Confident78.1Confident56 Ų5655.6 Ų55.634%0.33933%0.333SS..EExtended strand (participates in β ladder)trans-114.2-30.8-174.7-70.10000113E22 L23 S76 L77E22-V102 HydrophobicContact CG-CG2 3.47Å; E22-V102 VanDerWaalsContact CG-CG2 3.47Å; E22-V102 WeakPolarHBondContact OE1-CG2 3.3Å; L23-V102 PolarHBondContact O-N 2.96Å; S76-V102 PolarHBondContact OG-O 3.26Å; L77-V102 PolarHBondContact N-O 2.84Å
103S82.3Confident78.3Confident26 Ų2654 Ų5418%0.18231%0.31CS..EExtended strand (participates in β ladder)trans-117146.4172.758.90000112E22 V24 H25 L77E22-S103 WeakPolarHBondContact OE1-CB 3.35Å; E22-S103 PolarHBondContact OE1-OG 3.3Å; V24-S103 CarbonylContact C-O 3.54Å; V24-S103 WeakPolarHBondContact CA-O 3.36Å; V24-S103 WeakPolarHBondContact CG2-OG 3.32Å; H25-S103 PolarHBondContact N-O 3.46Å; L77-S103 VanDerWaalsContact CD1-O 3.29Å; L77-S103 WeakPolarHBondContact CD1-O 3.43Å
104R86.9Confident78.6Confident55 Ų5554.1 Ų54.121%0.20830%0.3CS..EExtended strand (participates in β ladder)trans-121120.2179.8-177.4-179.7-74.6165.81108.5H25 T74 S75 L77 E83H25-R104 HydrophobicContact CB-CB 4.39Å; H25-R104 HydrophobicContact CB-CG 4.33Å; H25-R104 CarbonylContact O-C 3.4Å; H25-R104 VanDerWaalsContact O-CA 3.31Å; H25-R104 WeakPolarHBondContact O-CA 3.38Å; T74-R104 CarbonylContact C-O 3.6Å; T74-R104 WeakPolarHBondContact CA-O 3.42Å; S75-R104 PolarHBondContact N-O 2.98Å; S75-R104 PolarHBondContact O-N 3.4Å; L77-R104 HydrophobicContact CD1-CB 3.89Å; L77-R104 VanDerWaalsContact CD2-NH2 3.29Å; L77-R104 HydrophobicContact CG-CB 4.04Å; E83-R104 IonicContact OE2-CZ 3.95Å; E83-R104 IonicContact OE2-NH1 3.87Å; E83-R104 IonicContact OE2-NH2 3.3Å; E83-R104 PolarHBondContact OE2-NH2 2.84Å
105I88.6Confident79.2Confident4 Ų454.3 Ų54.32%0.02130%0.302CS..EExtended strand (participates in β ladder)trans-100.8121.1173-62.1-179.8000107.5V24 H25 F26 R27 F52 F72 T74V24-I105 HydrophobicContact CG1-CB 4.49Å; V24-I105 HydrophobicContact CG1-CD1 3.75Å; V24-I105 HydrophobicContact CG1-CG1 3.73Å; H25-I105 PolarHBondContact O-N 2.7Å; F26-I105 HydrophobicContact CD1-CB 4.21Å; F26-I105 HydrophobicContact CD1-CG2 4.22Å; F26-I105 HydrophobicContact CE1-CB 4.25Å; F26-I105 HydrophobicContact CE1-CD1 3.97Å; F26-I105 HydrophobicContact CE1-CG2 4.13Å; F26-I105 HydrophobicContact CE2-CD1 4.23Å; F26-I105 HydrophobicContact CZ-CD1 3.7Å; R27-I105 PolarHBondContact N-O 3.04Å; F52-I105 HydrophobicContact CE1-CD1 3.84Å; F52-I105 HydrophobicContact CE2-CD1 4.4Å; F52-I105 HydrophobicContact CZ-CD1 3.65Å; F72-I105 HydrophobicContact CB-CG2 4.11Å; F72-I105 HydrophobicContact CD2-CG2 3.8Å; F72-I105 HydrophobicContact CG-CG2 4.03Å; T74-I105 HydrophobicContact CG2-CG1 4.09Å
106T91Very high79.6Confident30 Ų3053.4 Ų53.418%0.18430%0.301CS..EExtended strand (participates in β ladder)trans-114.4116.4179.3-57.40000109.6R27 F72 S73 N108R27-T106 HydrophobicContact CB-CG2 4.3Å; R27-T106 HydrophobicContact CG-CG2 4.29Å; R27-T106 WeakPolarHBondContact O-CA 3.45Å; F72-T106 CarbonylContact C-O 3.52Å; F72-T106 WeakPolarHBondContact CA-O 3.43Å; F72-T106 WeakPolarHBondContact CB-O 3.15Å; S73-T106 PolarHBondContact N-O 3.49Å; S73-T106 PolarHBondContact O-N 2.93Å; T106-N108 PolarHBondContact O-OD1 2.92Å
107V90.7Very high80.1Confident7 Ų753.6 Ų53.64%0.04231%0.31CS..EExtended strand (participates in β ladder)trans-73129.3174.6-177.30000109.1R27 L28 T29 A32 F59 F70 F72R27-V107 PolarHBondContact O-N 3.04Å; L28-V107 HydrophobicContact CD2-CG2 3.63Å; T29-V107 HydrophobicContact CG2-CG1 4.34Å; A32-V107 HydrophobicContact CB-CG1 3.94Å; A32-V107 HydrophobicContact CB-CG2 4.48Å; F59-V107 HydrophobicContact CE1-CG2 3.94Å; F59-V107 HydrophobicContact CZ-CG2 4.07Å; F70-V107 HydrophobicContact CB-CG1 4.06Å; F70-V107 HydrophobicContact CD1-CG1 4.08Å; F70-V107 HydrophobicContact CG-CG1 4.39Å; F72-V107 HydrophobicContact CB-CG2 4.47Å
108N88.6Confident80.8Confident57 Ų5757.9 Ų57.931%0.30532%0.321SS..PPolyproline II helixtrans-78.4138.9179.1-61.76.9000108.7T71 S73 T106T71-N108 PolarHBondContact O-N 3.02Å; S73-N108 PolarHBondContact N-OD1 3.21Å; S73-N108 PolarHBondContact OG-OD1 2.89Å; T106-N108 PolarHBondContact O-OD1 2.92Å
109A85.3Confident81.6Confident38 Ų3861.4 Ų61.431%0.31434%0.337SS..PPolyproline II helixtrans-66.2144.5171.200000110.8T29 F114T29-A109 HydrophobicContact CG2-CB 4.25Å; A109-F114 HydrophobicContact CB-CD2 4.28Å; A109-F114 HydrophobicContact CB-CE2 3.64Å; A109-F114 HydrophobicContact CB-CZ 3.9Å
110K81Confident82.1Confident61 Ų6168.8 Ų68.827%0.26536%0.357SS..PPolyproline II helixtrans-72.8151.6175.5-69.1175.3-177.1173.40109.7K69 D112 S113 F114K69-K110 WeakPolarHBondContact O-CE 3.3Å; K110-D112 WeakPolarHBondContact CB-OD1 3.32Å; K110-D112 PolarHBondContact O-N 2.76Å; K110-S113 VanDerWaalsContact O-CB 3.28Å; K110-S113 WeakPolarHBondContact O-CB 3.3Å; K110-S113 PolarHBondContact O-N 3.2Å; K110-F114 PolarHBondContact O-N 2.8Å
111E77.1Confident82.6Confident144 Ų14472.7 Ų72.767%0.67338%0.378SS*.Hα-helixtrans-60.7-31.8-179.3-169.658.9-15000112.7S113 F114 S115E111-S113 PolarHBondContact O-N 3.22Å; E111-F114 PolarHBondContact O-N 2.93Å; E111-S115 WeakPolarHBondContact O-CB 3.49Å; E111-S115 PolarHBondContact O-N 2.7Å; E111-S115 PolarHBondContact O-OG 3.3Å
112D72.8Confident83Confident95 Ų9574.4 Ų74.451%0.50839%0.39SS..Hα-helixtrans-55.5-35.4171.855.436.2000112.9K110 S115 A116K110-D112 WeakPolarHBondContact CB-OD1 3.32Å; K110-D112 PolarHBondContact O-N 2.76Å; D112-S115 PolarHBondContact O-N 3.03Å; D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 3.35Å
113S74.1Confident83.2Confident46 Ų4676.5 Ų76.532%0.32240%0.396SS..Hα-helixtrans-80.8-38.8-172.2-56.20000110.6K110 E111 A117K110-S113 VanDerWaalsContact O-CB 3.28Å; K110-S113 WeakPolarHBondContact O-CB 3.3Å; K110-S113 PolarHBondContact O-N 3.2Å; E111-S113 PolarHBondContact O-N 3.22Å; S113-A117 WeakPolarHBondContact O-CB 3.26Å; S113-A117 PolarHBondContact O-N 2.98Å
114F75.5Confident83.3Confident125 Ų12581.2 Ų81.255%0.54842%0.419SS..Hα-helixtrans-64.6-42.7168.9-71.2-70.9000111.5A109 K110 E111 A117 K118A109-F114 HydrophobicContact CB-CD2 4.28Å; A109-F114 HydrophobicContact CB-CE2 3.64Å; A109-F114 HydrophobicContact CB-CZ 3.9Å; K110-F114 PolarHBondContact O-N 2.8Å; E111-F114 PolarHBondContact O-N 2.93Å; F114-A117 PolarHBondContact O-N 3.19Å; F114-K118 VanDerWaalsContact O-CB 3.26Å; F114-K118 WeakPolarHBondContact O-CB 3.45Å; F114-K118 PolarHBondContact O-N 3.24Å
115S79.2Confident83.1Confident62 Ų6283.2 Ų83.243%0.43443%0.43SS..Hα-helixtrans-60.8-51.7178.4-61.80000111.8E111 D112 A117 K118 E119E111-S115 WeakPolarHBondContact O-CB 3.49Å; E111-S115 PolarHBondContact O-N 2.7Å; E111-S115 PolarHBondContact O-OG 3.3Å; D112-S115 PolarHBondContact O-N 3.03Å; S115-A117 PolarHBondContact O-N 2.97Å; S115-K118 PolarHBondContact O-N 2.85Å; S115-E119 WeakPolarHBondContact O-CB 3.39Å; S115-E119 PolarHBondContact O-N 3.03Å
116A78.6Confident82.9Confident48 Ų4886.1 Ų86.140%0.39745%0.446SS..Hα-helixtrans-67.4-35.5179.800000113.3D112 R120D112-A116 WeakPolarHBondContact O-CB 3.46Å; D112-A116 PolarHBondContact O-N 3.35Å; A116-R120 WeakPolarHBondContact O-CG 3.38Å; A116-R120 PolarHBondContact O-N 2.84Å
117A78.5Confident82.4Confident61 Ų6189.6 Ų89.650%0.50446%0.46SS..Hα-helixtrans-66.3-42.1174.700000111.9S113 F114 S115 M121S113-A117 WeakPolarHBondContact O-CB 3.26Å; S113-A117 PolarHBondContact O-N 2.98Å; F114-A117 PolarHBondContact O-N 3.19Å; S115-A117 PolarHBondContact O-N 2.97Å; A117-M121 PolarHBondContact O-N 2.89Å
118K87.1Confident81.8Confident156 Ų15694.9 Ų94.968%0.67849%0.488SS*.Hα-helixtrans-64-43.5175-175.4178.3179.6-178.80111.6F114 S115 M121 T122F114-K118 VanDerWaalsContact O-CB 3.26Å; F114-K118 WeakPolarHBondContact O-CB 3.45Å; F114-K118 PolarHBondContact O-N 3.24Å; S115-K118 PolarHBondContact O-N 2.85Å; K118-M121 PolarHBondContact O-N 2.73Å; K118-T122 PolarHBondContact O-N 3.03Å; K118-T122 PolarHBondContact O-OG1 3.5Å
119E88.4Confident81.2Confident116 Ų11697.7 Ų97.754%0.54250%0.498SS..Hα-helixtrans-60.7-48.9176.4-165.1-166.4158.400111.6S115 M121 T122 Q123S115-E119 WeakPolarHBondContact O-CB 3.39Å; S115-E119 PolarHBondContact O-N 3.03Å; E119-M121 VanDerWaalsContact C-N 3.26Å; E119-M121 PolarHBondContact O-N 2.79Å; E119-T122 PolarHBondContact O-N 2.75Å; E119-Q123 WeakPolarHBondContact O-CG 3.49Å; E119-Q123 PolarHBondContact O-N 3.29Å; E119-Q123 PolarHBondContact OE1-NE2 3Å
120R84.9Confident80.6Confident179 Ų179102.5 Ų102.568%0.67551%0.511SS*.Hα-helixtrans-58.7-37.3174.6-74.8-164.2-160.7170.87.3112.7A116 Q123 L124A116-R120 WeakPolarHBondContact O-CG 3.38Å; A116-R120 PolarHBondContact O-N 2.84Å; R120-Q123 PolarHBondContact O-N 3.36Å; R120-L124 WeakPolarHBondContact O-CB 3.45Å; R120-L124 VanDerWaalsContact O-CG 3.29Å; R120-L124 WeakPolarHBondContact O-CG 3.37Å; R120-L124 PolarHBondContact O-N 3.3Å
121M85.7Confident79.7Confident127 Ų127103.9 Ų103.963%0.62653%0.529SS*.Hα-helixtrans-64.5-43.9177.2-174161.4-78.600111.2A117 K118 E119 L124 E125A117-M121 PolarHBondContact O-N 2.89Å; K118-M121 PolarHBondContact O-N 2.73Å; E119-M121 VanDerWaalsContact C-N 3.26Å; E119-M121 PolarHBondContact O-N 2.79Å; M121-L124 PolarHBondContact O-N 2.91Å; M121-E125 WeakPolarHBondContact O-CG 3.47Å; M121-E125 PolarHBondContact O-N 2.8Å
122T88.1Confident78.8Confident70 Ų70104 Ų10443%0.42953%0.53SS..Hα-helixtrans-62-44.4172.6-54.80000112.1K118 E119 L124 E125 D126K118-T122 PolarHBondContact O-N 3.03Å; K118-T122 PolarHBondContact O-OG1 3.5Å; E119-T122 PolarHBondContact O-N 2.75Å; T122-L124 PolarHBondContact O-N 2.92Å; T122-E125 PolarHBondContact O-N 2.99Å; T122-D126 WeakPolarHBondContact O-CB 3.27Å; T122-D126 PolarHBondContact O-N 3.25Å
123Q83.9Confident78.6Confident100 Ų100106.1 Ų106.147%0.46755%0.546SS..Hα-helixtrans-59.7-46176.3-69.1174.5900111.8E119 R120 D126 E127E119-Q123 WeakPolarHBondContact O-CG 3.49Å; E119-Q123 PolarHBondContact O-N 3.29Å; E119-Q123 PolarHBondContact OE1-NE2 3Å; R120-Q123 PolarHBondContact O-N 3.36Å; Q123-D126 PolarHBondContact O-N 3.39Å; Q123-E127 WeakPolarHBondContact O-CG 3.48Å; Q123-E127 PolarHBondContact O-N 2.76Å
124L84.4Confident78.2Confident124 Ų124112.4 Ų112.465%0.64957%0.567SS**Hα-helixtrans-66.5-38.4178.5-74169.9000112.7R120 M121 T122 D126 N128R120-L124 WeakPolarHBondContact O-CB 3.45Å; R120-L124 VanDerWaalsContact O-CG 3.29Å; R120-L124 WeakPolarHBondContact O-CG 3.37Å; R120-L124 PolarHBondContact O-N 3.3Å; M121-L124 PolarHBondContact O-N 2.91Å; T122-L124 PolarHBondContact O-N 2.92Å; L124-D126 VanDerWaalsContact C-N 3.32Å; L124-N128 WeakPolarHBondContact O-CB 3.2Å; L124-N128 PolarHBondContact O-N 3.31Å
125E82.5Confident77.8Confident97 Ų97113.5 Ų113.545%0.45357%0.574SS.*Hα-helixtrans-60.9-41.8170.7-79.4-172.3-161.400112M121 T122 N128 K129M121-E125 WeakPolarHBondContact O-CG 3.47Å; M121-E125 PolarHBondContact O-N 2.8Å; T122-E125 PolarHBondContact O-N 2.99Å; E125-N128 PolarHBondContact O-N 2.73Å; E125-K129 WeakPolarHBondContact O-CD 3.33Å; E125-K129 WeakPolarHBondContact O-CE 3.46Å; E125-K129 WeakPolarHBondContact O-CG 3.39Å; E125-K129 PolarHBondContact O-N 2.92Å; E125-K129 IonicContact OE2-NZ 2.67Å; E125-K129 PolarHBondContact OE2-NZ 3.45Å
126D84.3Confident77Confident65 Ų65118.3 Ų118.335%0.34859%0.593SS.*Hα-helixtrans-73.7-32.2-177.9-72.2-10.1000112.7T122 Q123 L124 K129 K130T122-D126 WeakPolarHBondContact O-CB 3.27Å; T122-D126 PolarHBondContact O-N 3.25Å; Q123-D126 PolarHBondContact O-N 3.39Å; L124-D126 VanDerWaalsContact C-N 3.32Å; D126-K129 WeakPolarHBondContact OD1-CD 3.33Å; D126-K129 IonicContact OD1-NZ 3.59Å; D126-K129 PolarHBondContact OD1-NZ 3.09Å; D126-K130 WeakPolarHBondContact O-CD 3.5Å; D126-K130 WeakPolarHBondContact O-CE 3.35Å; D126-K130 VanDerWaalsContact O-CG 3.24Å; D126-K130 WeakPolarHBondContact O-CG 3.18Å; D126-K130 PolarHBondContact O-N 2.94Å; D126-K130 VanDerWaalsContact O-N 3.17Å
127E80.3Confident75.7Confident103 Ų103123.4 Ų123.448%0.48161%0.607SS.*Hα-helixtrans-65.5-39.5167.1-70.2-60.3100.400112.1Q123 K130 S131Q123-E127 WeakPolarHBondContact O-CG 3.48Å; Q123-E127 PolarHBondContact O-N 2.76Å; E127-K130 PolarHBondContact O-N 3.19Å; E127-K130 WeakPolarHBondContact OE1-CD 3.45Å; E127-K130 WeakPolarHBondContact OE1-CE 3.46Å; E127-K130 IonicContact OE1-NZ 3.48Å; E127-K130 PolarHBondContact OE1-NZ 2.92Å; E127-S131 WeakPolarHBondContact O-CB 3.34Å; E127-S131 PolarHBondContact O-N 3.36Å; E127-S131 PolarHBondContact O-OG 2.92Å
128N77Confident74.3Confident118 Ų118126.1 Ų126.163%0.63162%0.622SS**Hα-helixtrans-66.3-41.1176.2-167.620.5000111.7L124 E125 K130 S131 Q132L124-N128 WeakPolarHBondContact O-CB 3.2Å; L124-N128 PolarHBondContact O-N 3.31Å; E125-N128 PolarHBondContact O-N 2.73Å; N128-K130 VanDerWaalsContact C-N 3.28Å; N128-K130 PolarHBondContact O-N 3.43Å; N128-S131 PolarHBondContact O-N 3.45Å; N128-Q132 PolarHBondContact O-N 3.21Å; N128-Q132 VanDerWaalsContact O-N 3.17Å
129K76.3Confident71.8Confident117 Ų117123.5 Ų123.551%0.50963%0.629SS.*Hα-helixtrans-60.5-34.2173.1-69.6160.2-151.3159.20112.3E125 D126E125-K129 WeakPolarHBondContact O-CD 3.33Å; E125-K129 WeakPolarHBondContact O-CE 3.46Å; E125-K129 WeakPolarHBondContact O-CG 3.39Å; E125-K129 PolarHBondContact O-N 2.92Å; E125-K129 IonicContact OE2-NZ 2.67Å; E125-K129 PolarHBondContact OE2-NZ 3.45Å; D126-K129 WeakPolarHBondContact OD1-CD 3.33Å; D126-K129 IonicContact OD1-NZ 3.59Å; D126-K129 PolarHBondContact OD1-NZ 3.09Å
130K72.3Confident69.8Low138 Ų138128 Ų12860%0.665%0.647SS**Hα-helixtrans-73.1-35.7175.2-67.4162.4-156.1170.60112.8D126 E127 N128D126-K130 WeakPolarHBondContact O-CD 3.5Å; D126-K130 WeakPolarHBondContact O-CE 3.35Å; D126-K130 VanDerWaalsContact O-CG 3.24Å; D126-K130 WeakPolarHBondContact O-CG 3.18Å; D126-K130 PolarHBondContact O-N 2.94Å; D126-K130 VanDerWaalsContact O-N 3.17Å; E127-K130 PolarHBondContact O-N 3.19Å; E127-K130 WeakPolarHBondContact OE1-CD 3.45Å; E127-K130 WeakPolarHBondContact OE1-CE 3.46Å; E127-K130 IonicContact OE1-NZ 3.48Å; E127-K130 PolarHBondContact OE1-NZ 2.92Å; N128-K130 VanDerWaalsContact C-N 3.28Å; N128-K130 PolarHBondContact O-N 3.43Å
131S62.4Low67.9Low91 Ų91124.5 Ų124.564%0.63665%0.65SS**Hα-helixtrans-890.1-174.1-550000114.5E127 N128 T133E127-S131 WeakPolarHBondContact O-CB 3.34Å; E127-S131 PolarHBondContact O-N 3.36Å; E127-S131 PolarHBondContact O-OG 2.92Å; N128-S131 PolarHBondContact O-N 3.45Å; S131-T133 PolarHBondContact O-N 2.99Å
132Q58.3Low65.8Low147 Ų147127 Ų12769%0.68766%0.662SS**PPolyproline II helixtrans-57.8127-179-170.1177.322.600112.1N128 K134N128-Q132 PolarHBondContact O-N 3.21Å; N128-Q132 VanDerWaalsContact O-N 3.17Å; Q132-K134 PolarHBondContact O-N 3.29Å
133T69.2Low63.8Low138 Ų138128.2 Ų128.285%0.84768%0.68SS**PPolyproline II helixtrans-53.9116.9-177.7-51.10000112.2S131S131-T133 PolarHBondContact O-N 2.99Å
134K65.2Low61.9Low178 Ų178128.1 Ų128.177%0.77469%0.69SS**PPolyproline II helixtrans-88.4126.6177.3-67.8177.5-177.3170.70110.7Q132 I136Q132-K134 PolarHBondContact O-N 3.29Å; K134-I136 PolarHBondContact O-N 3.34Å
135E66.9Low60.2Low149 Ų149133.6 Ų133.670%0.69670%0.702SS**  trans-64.3112.6-180-172-170.4178.100111.5K137E135-K137 HydrophobicContact CG-CG 4.18Å; E135-K137 PolarHBondContact O-N 3.06Å; E135-K137 VanDerWaalsContact O-N 3.13Å; E135-K137 WeakPolarHBondContact OE1-CE 3.5Å; E135-K137 IonicContact OE1-NZ 3.36Å; E135-K137 WeakPolarHBondContact OE2-CE 3.39Å; E135-K137 IonicContact OE2-NZ 3.2Å; E135-K137 PolarHBondContact OE2-NZ 2.84Å
136I62.1Low58.5Low162 Ų162135.2 Ų135.283%0.83172%0.719SS**  trans-80.493.2175.2-56.7178.4000109K134 S138K134-I136 PolarHBondContact O-N 3.34Å; I136-S138 PolarHBondContact O-N 3Å; I136-S138 VanDerWaalsContact O-N 3.09Å
137K52.2Low56.6Low155 Ų155136.2 Ų136.267%0.67474%0.736SS**  trans-72.6100.8175.1-67.1-170.4177.21790110.9E135 A139E135-K137 HydrophobicContact CG-CG 4.18Å; E135-K137 PolarHBondContact O-N 3.06Å; E135-K137 VanDerWaalsContact O-N 3.13Å; E135-K137 WeakPolarHBondContact OE1-CE 3.5Å; E135-K137 IonicContact OE1-NZ 3.36Å; E135-K137 WeakPolarHBondContact OE2-CE 3.39Å; E135-K137 IonicContact OE2-NZ 3.2Å; E135-K137 PolarHBondContact OE2-NZ 2.84Å; K137-A139 PolarHBondContact O-N 3.12Å
138S48.3Very low54.9Low119 Ų119137.8 Ų137.883%0.83275%0.753SS**  trans-65.395.417555.70000111.2I136 K140I136-S138 PolarHBondContact O-N 3Å; I136-S138 VanDerWaalsContact O-N 3.09Å; S138-K140 PolarHBondContact O-N 2.97Å
139A36.1Very low53.2Low100 Ų100137.9 Ų137.983%0.82676%0.76SS**  trans-81.8116.8-175.900000112.8K137K137-A139 PolarHBondContact O-N 3.12Å
140K44.7Very low51.6Low211 Ų211141.7 Ų141.792%0.91778%0.779SS**  trans-156.7154.6155.6-132.2168.1-174.8173.90111.8S138S138-K140 PolarHBondContact O-N 2.97Å
141S45.8Very low50Low106 Ų106140.8 Ų140.874%0.74179%0.79SS**  trans75.183.5174.4-161.70000118.6
142M42.5Very low48.9Very low178 Ų178141.4 Ų141.488%0.87780%0.801SS**  59.6139.2121-61.9-70.9-86.900121.7
143A44.9Very low48.1Very low97 Ų97141.6 Ų141.680%0.80280%0.801SS**  trans68.4139.7166.900000118.4
144S45.1Very low46.8Very low97 Ų97142.2 Ų142.268%0.67879%0.792SS**  cis-174.3115.9-32.643.30000110.2
145R48.8Very low45.8Very low240 Ų240142.7 Ų142.791%0.90680%0.797SS**  trans65.7152.9166.3-45.6179.4179-150.3-2.3114.1
146T45.4Very low44.3Very low130 Ų130139.3 Ų139.380%0.79880%0.802SS**  cis-154.5164.47.2-20.50000110.6
147A44.6Very low43.2Very low87 Ų87136.1 Ų136.172%0.71979%0.794SS**  trans5898.6164.400000117.8
148V45.6Very low42.6Very low136 Ų136137.4 Ų137.482%0.82480%0.802SS**  79109.371.6174.20000114.4
149P40.4Very low42Very low120 Ų120135.1 Ų135.178%0.77980%0.798SS**  trans-106.8156.7170.338.8-31.3000113.2
150Q43.1Very low42.2Very low196 Ų196137.1 Ų137.192%0.91680%0.799SS**  trans-145.1158.9165.4-78.2-159.6-29.500113.1
151S37.8Very low41.6Very low120 Ų120134.4 Ų134.484%0.83980%0.795SS**  trans-138.8138.4-169.654.60000112.8
152A40.3Very low41.7Very low103 Ų103138 Ų13885%0.85181%0.805SS**  trans-175.7162167.100000110.9
153H41.3Very low41.4Very low152 Ų152138.8 Ų138.870%0.70480%0.803SS**  cis-174.5144.9-42.2-143.916000108.5
154K42.2Very low41.3Very low150 Ų150138 Ų13865%0.65280%0.804SS**  trans67.7135.3150.4-71.7167.8175.8164.50122.9
155Q43.2Very low41Very low189 Ų189143.2 Ų143.288%0.88382%0.815SS**  trans70.8151.2144.8-66.1162.2-6.400118.2
156G36.8Very low40.5Very low77 Ų77134.8 Ų134.879%0.79480%0.803SS**  cis-160.7-173.73.300000114.3
157S37.5Very low40.4Very low96 Ų96136.4 Ų136.467%0.67181%0.807SS**  trans-80.2148.8-172.6167.10000114.5
158H41.3Very low39.9Very low181 Ų181141.4 Ų141.484%0.83882%0.815SS**  162.9129.1115.6-88.8-69.5000115.3
159G34.7Very low39.7Very low72 Ų72142 Ų14274%0.74282%0.819SS**  trans68.9160.8149.400000119
160V40.4Very low39.5Very low141 Ų141141.4 Ų141.486%0.85582%0.817SS**  cis-149.2174.4-8.8-74.30000110.1
161N33.1Very low39.4Very low155 Ų155137.3 Ų137.383%0.82981%0.808SS**  trans-44.3145.9175.8-67.8-87.5000115.9
162L47.4Very low39.6Very low181 Ų181141.1 Ų141.195%0.94881%0.812SS**  trans-147.2146.5144.6-108.3167000110.4
163K36.6Very low39.2Very low194 Ų194142.4 Ų142.484%0.84381%0.805SS**  trans-124.9105.5-167.3176.9174.3177.6172.40110.7
164G42.4Very low39.3Very low80 Ų80142.4 Ų142.483%0.82581%0.808SS**  trans-88.5148.4173.900000112.5
165K37.7Very low39Very low208 Ų208141.1 Ų141.190%0.90481%0.809SS**  trans-141141.8-175.8-152.3-170.1-176-164.40110.3
166G39.7Very low38.8Very low62 Ų62140.9 Ų140.964%0.63981%0.805SS**  trans104.715816900000115.1
167N43.5Very low39Very low165 Ų165142.7 Ų142.788%0.88280%0.803SS**  cis-149.6165.2-7.7-99.4-2.8000109.8
168E32.5Very low38.6Very low191 Ų191145.3 Ų145.389%0.89381%0.809SS**  trans-72.4134.3179.8-60.8164.4103.200112.9
169V42.9Very low38.5Very low149 Ų149143 Ų14390%0.90381%0.808SS**  trans-146.9139.8151.4-174.50000109.4
170S35.1Very low38.5Very low107 Ų107143 Ų14375%0.74880%0.8SS**  trans-165.2173.4174-162.80000107.5
171P40.6Very low38.1Very low110 Ų110143.4 Ų143.471%0.71480%0.798SS**  cis-118.3162.4-31.136.1-23.9000112.2
172Q41.6Very low38Very low200 Ų200147.4 Ų147.494%0.93580%0.801SS**  trans-144.5153.3159.1-73.5-159.3-1000113.6
173N33Very low37.4Very low131 Ų131144.2 Ų144.270%0.70179%0.789SS**  trans-75.1160.2-170.3-80.1-3.8000115.1D175N173-D175 PolarHBondContact ND2-OD2 2.8Å; N173-D175 VanDerWaalsContact ND2-OD2 3.1Å
174I42.7Very low37.2Very low151 Ų151143.7 Ų143.777%0.77479%0.79SS**  trans-127.3108.4142.2-58.8-180000107.5F176I174-F176 HydrophobicContact CG2-CD2 4.06Å; I174-F176 HydrophobicContact CG2-CE2 3.73Å
175D35.2Very low36.7Very low123 Ų123144.9 Ų144.966%0.65879%0.785SS**  trans-81.7141175-79.5-77.9000111.5N173N173-D175 PolarHBondContact ND2-OD2 2.8Å; N173-D175 VanDerWaalsContact ND2-OD2 3.1Å
176F40.6Very low36.8Very low185 Ų185143.9 Ų143.981%0.81178%0.784SS**  trans-136.8144.8157-82.1-74.6000110.1I174I174-F176 HydrophobicContact CG2-CD2 4.06Å; I174-F176 HydrophobicContact CG2-CE2 3.73Å
177P39.5Very low36.6Very low115 Ų115148.5 Ų148.575%0.74779%0.794SS**  trans-89.5145.9-143.232.3-37.5000116.1
178N30.3Very low36.3Very low151 Ų151146.4 Ų146.481%0.80779%0.789SS**  trans-83.4132.1164.2178.77.8000110.3
179V38.7Very low36.4Very low133 Ų133143.7 Ų143.781%0.80679%0.786SS**  trans-119.4126.6171.2-178.70000109.6
180A35.3Very low35.8Very low71 Ų71140.2 Ų140.259%0.58778%0.779SS**  trans-85.1157.5-157.200000116.2
181N30.7Very low35.8Very low150 Ų150142 Ų14280%0.80279%0.79SS**  trans48108141.2-63.9-21.6000120.1
182R32.5Very low35.5Very low239 Ų239139.4 Ų139.490%0.90278%0.784SS**  -160.3110.4116.3-119.2178.6172.8166.1-1.7115.9
183V33.3Very low35.7Very low114 Ų114135.9 Ų135.969%0.69178%0.778SS**  37.8124.6124.3-173.20000120
184Q33.4Very low35.6Very low183 Ų183134.8 Ų134.886%0.85578%0.781SS**  trans81.7118.8152.2-80164.3-4.600122.3
185S32Very low35.4Very low104 Ų104132.1 Ų132.173%0.72777%0.773SS**  trans76.4103.6134.2-151.60000120.4
186Q40.1Very low35.9Very low187 Ų187130.7 Ų130.787%0.87477%0.771SS**  174.7151.4108.8-89.7167.629.200111.4
187N34.7Very low36.4Very low160 Ų160129.2 Ų129.286%0.85677%0.771SS**  trans-91.6163.7178.6-62.8-37.8000111.4
188P36.8Very low37.1Very low121 Ų121127.3 Ų127.379%0.78676%0.758SS**  -140.8143.211820.30.8000116.8
189V35.4Very low38.8Very low134 Ų134122.6 Ų122.681%0.81273%0.733SS**  trans9138.6159.3-73.50000122.9
190G30.9Very low40.4Very low75 Ų75120.3 Ų120.377%0.77372%0.721SS**  trans-171.2105.9162.700000116.5
191C33.8Very low42.4Very low144 Ų144121.6 Ų121.697%0.97372%0.718SS**  trans55.5125.7149.9-159.30000122.1
192G36Very low44.8Very low57 Ų57115.1 Ų115.159%0.58868%0.684SS**SBendtrans100.7166.2157.600000115.8S194G192-S194 PolarHBondContact O-N 2.82Å
193P44.3Very low47.1Very low126 Ų126107.2 Ų107.282%0.81866%0.659SS**SBendtrans-61.4130.2172.427.3-33.6000108.9
194S30.7Very low49.4Very low107 Ų107106 Ų10675%0.74866%0.661SS**PPolyproline II helixtrans-46.1123.5-172.355.10000111.3G192G192-S194 PolarHBondContact O-N 2.82Å
195P38.6Very low51.9Low95 Ų95101.8 Ų101.862%0.61764%0.637SS**PPolyproline II helixtrans-60.1134.5177.526.1-33.3000108.5L197P195-L197 PolarHBondContact O-N 2.89Å
196P47.2Very low54.7Low94 Ų9499.9 Ų99.961%0.6162%0.624SS**PPolyproline II helixtrans-57.5133.3165.426.6-32.5000107.4
197L49.6Very low57.1Low154 Ų15491.6 Ų91.681%0.80659%0.585SS**PPolyproline II helixtrans-49.8142.7171.4-75.6145.2000109P195 N199P195-L197 PolarHBondContact O-N 2.89Å; L197-N199 WeakPolarHBondContact O-CA 3.41Å; L197-N199 PolarHBondContact O-N 3.34Å
198P56.1Low60Low74 Ų7487.7 Ų87.748%0.48156%0.559SS.*  trans-53.6105.4-176.2-25.934.3000110.3P200 L203P198-P200 VanDerWaalsContact O-CD 3.29Å; P198-P200 WeakPolarHBondContact O-CD 3.32Å; P198-P200 VanDerWaalsContact O-N 3.14Å; P198-L203 HydrophobicContact CB-CD1 3.7Å
199N65.7Low62.7Low52 Ų5284.3 Ų84.328%0.27853%0.532SS..  trans-73.9111.3-162.8-164.820.4000108.3L197 D201 V202 L203L197-N199 WeakPolarHBondContact O-CA 3.41Å; L197-N199 PolarHBondContact O-N 3.34Å; N199-D201 PolarHBondContact O-N 2.94Å; N199-V202 HydrophobicContact CB-CB 4.24Å; N199-V202 HydrophobicContact CB-CG2 3.91Å; N199-V202 WeakPolarHBondContact O-CA 3.43Å; N199-V202 WeakPolarHBondContact O-CB 3.49Å; N199-V202 PolarHBondContact O-N 2.87Å; N199-L203 PolarHBondContact O-N 2.93Å
200P71.7Confident65.4Low86 Ų8678.1 Ų78.156%0.55849%0.494SS*.Hα-helixtrans-61-36.3-165.823-33.5000111.8P198 V202 L203 A204P198-P200 VanDerWaalsContact O-CD 3.29Å; P198-P200 WeakPolarHBondContact O-CD 3.32Å; P198-P200 VanDerWaalsContact O-N 3.14Å; P200-V202 PolarHBondContact O-N 2.87Å; P200-L203 WeakPolarHBondContact O-CB 3.49Å; P200-L203 PolarHBondContact O-N 2.95Å; P200-L203 VanDerWaalsContact O-N 3.13Å; P200-A204 WeakPolarHBondContact O-CB 3.33Å; P200-A204 PolarHBondContact O-N 2.96Å
201D77.6Confident68.4Low97 Ų9774.6 Ų74.652%0.51946%0.458SS..Hα-helixtrans-67.6-16.9177.9-51.3-28.3000113.9N199 R205 P273N199-D201 PolarHBondContact O-N 2.94Å; D201-R205 VanDerWaalsContact O-CG 3.24Å; D201-R205 WeakPolarHBondContact O-CG 3.49Å; D201-P273 HydrophobicContact CB-CB 3.76Å; D201-P273 HydrophobicContact CB-CG 3.59Å
202V81.6Confident71.3Confident15 Ų1567.8 Ų67.89%0.09141%0.412CS..Hα-helixtrans-92.4-38.2171.4-179.70000110.4N199 P200 A204 R205 R210 W272 P273N199-V202 HydrophobicContact CB-CB 4.24Å; N199-V202 HydrophobicContact CB-CG2 3.91Å; N199-V202 WeakPolarHBondContact O-CA 3.43Å; N199-V202 WeakPolarHBondContact O-CB 3.49Å; N199-V202 PolarHBondContact O-N 2.87Å; P200-V202 PolarHBondContact O-N 2.87Å; V202-A204 VanDerWaalsContact C-N 3.3Å; V202-A204 PolarHBondContact O-N 2.9Å; V202-R205 WeakPolarHBondContact O-CB 3.19Å; V202-R205 PolarHBondContact O-N 3.22Å; V202-R205 VanDerWaalsContact O-N 3.15Å; V202-R210 HydrophobicContact CG1-CG 4.16Å; V202-R210 WeakPolarHBondContact O-CD 3.29Å; V202-W272 HydrophobicContact CG1-CZ2 3.92Å; V202-P273 HydrophobicContact CG2-CB 3.87Å; V202-P273 VanDerWaalsContact CG2-O 3.28Å; V202-P273 WeakPolarHBondContact CG2-O 3.45Å
203L79.9Confident74Confident72 Ų7265.2 Ų65.238%0.37738%0.384SS..Hα-helixtrans-63.6-34.5176.9-103.1165.7000112.8P198 N199 P200 R205 D232P198-L203 HydrophobicContact CB-CD1 3.7Å; N199-L203 PolarHBondContact O-N 2.93Å; P200-L203 WeakPolarHBondContact O-CB 3.49Å; P200-L203 PolarHBondContact O-N 2.95Å; P200-L203 VanDerWaalsContact O-N 3.13Å; L203-R205 PolarHBondContact O-N 3.19Å; L203-D232 WeakPolarHBondContact CD2-O 3.47Å
204A81.8Confident76.3Confident88 Ų8860.1 Ų60.173%0.72735%0.35SS*.THydrogen-bonded Turntrans-70.9-5.6174.900000114.2P200 V202P200-A204 WeakPolarHBondContact O-CB 3.33Å; P200-A204 PolarHBondContact O-N 2.96Å; V202-A204 VanDerWaalsContact C-N 3.3Å; V202-A204 PolarHBondContact O-N 2.9Å
205R86.3Confident79.4Confident96 Ų9655.4 Ų55.436%0.36232%0.316SS..SBendtrans-94.5153.2-176.4-59.8-63.8-173.6135.7-8.1112.1D201 V202 L203 E209 R210 W272D201-R205 VanDerWaalsContact O-CG 3.24Å; D201-R205 WeakPolarHBondContact O-CG 3.49Å; V202-R205 WeakPolarHBondContact O-CB 3.19Å; V202-R205 PolarHBondContact O-N 3.22Å; V202-R205 VanDerWaalsContact O-N 3.15Å; L203-R205 PolarHBondContact O-N 3.19Å; R205-E209 WeakPolarHBondContact CB-OE2 3.44Å; R205-E209 WeakPolarHBondContact CD-OE1 3.41Å; R205-E209 IonicContact CZ-OE1 2.79Å; R205-E209 IonicContact NE-OE1 3.21Å; R205-E209 IonicContact NH1-OE1 3.94Å; R205-E209 PolarHBondContact NH1-OE1 2.78Å; R205-R210 HydrophobicContact CB-CG 4.32Å; R205-W272 HydrophobicContact CB-CH2 3.56Å; R205-W272 HydrophobicContact CB-CZ3 4.07Å; R205-W272 HydrophobicContact CG-CH2 3.59Å; R205-W272 HydrophobicContact CG-CZ3 3.68Å
206S90.2Very high81.9Confident64 Ų6451 Ų5145%0.44829%0.288SS..  trans-62.3149-177.272.90000111.3R208 E209 R210S206-R208 PolarHBondContact O-N 2.92Å; S206-E209 PolarHBondContact N-OE2 3.43Å; S206-E209 PolarHBondContact O-N 3.09Å; S206-E209 VanDerWaalsContact O-N 3.12Å; S206-E209 WeakPolarHBondContact OG-CB 3.5Å; S206-E209 PolarHBondContact OG-N 2.8Å; S206-R210 PolarHBondContact O-N 3.07Å
207L91.2Very high84.1Confident12 Ų1248.2 Ų48.26%0.06327%0.268CS..Hα-helixtrans-54.9-37.4177.5177.761.9000112I211 L229 L234 Q238 Q241 I242 I245L207-I211 HydrophobicContact CD1-CD1 3.96Å; L207-I211 HydrophobicContact CD1-CG1 4.46Å; L207-I211 HydrophobicContact CG-CD1 4Å; L207-I211 WeakPolarHBondContact O-CD1 3.41Å; L207-I211 VanDerWaalsContact O-CG1 3.3Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.29Å; L207-L229 HydrophobicContact CD1-CD1 4.2Å; L207-L229 HydrophobicContact CD1-CD2 4.43Å; L207-L234 HydrophobicContact CD1-CD1 3.71Å; L207-Q238 HydrophobicContact CD2-CB 3.83Å; L207-Q238 HydrophobicContact CD2-CG 4.08Å; L207-Q238 WeakPolarHBondContact CD2-O 3.37Å; L207-Q241 HydrophobicContact CD2-CB 4.03Å; L207-I242 HydrophobicContact CD1-CG1 4.33Å; L207-I242 HydrophobicContact CD2-CG1 4.2Å; L207-I245 HydrophobicContact CB-CD1 3.95Å; L207-I245 HydrophobicContact CD2-CD1 3.52Å; L207-I245 HydrophobicContact CG-CD1 3.59Å
208R94.1Very high86.1Confident79 Ų7945.7 Ų45.730%0.29825%0.248SC..Hα-helixtrans-63.9-48.7175.9-177.1168.2174.7-74.7-7.9112.1S206 I211 I212 I245 V249 E267S206-R208 PolarHBondContact O-N 2.92Å; R208-I211 PolarHBondContact O-N 3.47Å; R208-I212 HydrophobicContact CG-CD1 3.95Å; R208-I212 VanDerWaalsContact O-CG1 3.26Å; R208-I212 WeakPolarHBondContact O-CG1 3.15Å; R208-I212 PolarHBondContact O-N 3.42Å; R208-I245 HydrophobicContact CB-CD1 4.34Å; R208-I245 HydrophobicContact CB-CG1 4.44Å; R208-I245 HydrophobicContact CB-CG2 4.02Å; R208-I245 HydrophobicContact CG-CG2 4.05Å; R208-V249 HydrophobicContact CG-CG1 3.86Å; R208-E267 IonicContact CZ-OE1 3.06Å; R208-E267 IonicContact CZ-OE2 3.2Å; R208-E267 IonicContact NH1-OE1 3.68Å; R208-E267 IonicContact NH1-OE2 3.24Å; R208-E267 PolarHBondContact NH1-OE2 3.45Å; R208-E267 IonicContact NH2-OE1 3.96Å; R208-E267 PolarHBondContact NH2-OE1 3.29Å; R208-E267 IonicContact NH2-OE2 3.48Å; R208-E267 PolarHBondContact NH2-OE2 3.05Å
209E93.1Very high87.7Confident49 Ų4944.3 Ų44.323%0.22924%0.239CC..Hα-helixtrans-62.7-43177.2-167.8-175.4-179.800111.7R205 S206 I211 I212 H213 W272R205-E209 WeakPolarHBondContact CB-OE2 3.44Å; R205-E209 WeakPolarHBondContact CD-OE1 3.41Å; R205-E209 IonicContact CZ-OE1 2.79Å; R205-E209 IonicContact NE-OE1 3.21Å; R205-E209 IonicContact NH1-OE1 3.94Å; R205-E209 PolarHBondContact NH1-OE1 2.78Å; S206-E209 PolarHBondContact N-OE2 3.43Å; S206-E209 PolarHBondContact O-N 3.09Å; S206-E209 VanDerWaalsContact O-N 3.12Å; S206-E209 WeakPolarHBondContact OG-CB 3.5Å; S206-E209 PolarHBondContact OG-N 2.8Å; E209-I211 PolarHBondContact O-N 3.43Å; E209-I212 PolarHBondContact O-N 3.44Å; E209-H213 PolarHBondContact O-N 3.28Å; E209-H213 VanDerWaalsContact O-N 3.13Å; E209-H213 PolarHBondContact O-ND1 2.85Å; E209-W272 HydrophobicContact CB-CH2 4.42Å; E209-W272 HydrophobicContact CG-CH2 3.81Å; E209-W272 HydrophobicContact CG-CZ3 3.59Å
210R92.8Very high88.9Confident5 Ų543 Ų432%0.01923%0.23CC..Hα-helixtrans-56.2-48.1172.1-71.3-169.5-70.9173.3-0111.6V202 R205 S206 H213 I214 L229 D232 G233 W272V202-R210 HydrophobicContact CG1-CG 4.16Å; V202-R210 WeakPolarHBondContact O-CD 3.29Å; R205-R210 HydrophobicContact CB-CG 4.32Å; S206-R210 PolarHBondContact O-N 3.07Å; R210-H213 PolarHBondContact O-N 3.26Å; R210-I214 WeakPolarHBondContact O-CD1 3.47Å; R210-I214 VanDerWaalsContact O-CG1 3.25Å; R210-I214 WeakPolarHBondContact O-CG1 3.31Å; R210-I214 PolarHBondContact O-N 2.94Å; R210-I214 VanDerWaalsContact O-N 3.1Å; R210-L229 HydrophobicContact CB-CD2 4.21Å; R210-D232 PolarHBondContact NH1-O 3.02Å; R210-G233 PolarHBondContact NH1-O 2.93Å; R210-G233 VanDerWaalsContact NH1-O 3.08Å; R210-W272 HydrophobicContact CG-CH2 4.45Å; R210-W272 HydrophobicContact CG-CZ2 4.35Å
211I94.2Very high89.8Confident0 Ų041.6 Ų41.60%022%0.216CC..Hα-helixtrans-64.8-42.9-179.7-71.1165.4000111.7L207 R208 E209 H213 I214 L215 L225 L229 I242 I245 L246 V249L207-I211 HydrophobicContact CD1-CD1 3.96Å; L207-I211 HydrophobicContact CD1-CG1 4.46Å; L207-I211 HydrophobicContact CG-CD1 4Å; L207-I211 WeakPolarHBondContact O-CD1 3.41Å; L207-I211 VanDerWaalsContact O-CG1 3.3Å; L207-I211 WeakPolarHBondContact O-CG1 3.47Å; L207-I211 PolarHBondContact O-N 3.29Å; R208-I211 PolarHBondContact O-N 3.47Å; E209-I211 PolarHBondContact O-N 3.43Å; I211-H213 VanDerWaalsContact C-N 3.35Å; I211-H213 PolarHBondContact O-N 2.94Å; I211-I214 PolarHBondContact O-N 3.39Å; I211-L215 HydrophobicContact CG2-CD1 3.85Å; I211-L215 HydrophobicContact CG2-CG 4.12Å; I211-L215 WeakPolarHBondContact O-CG 3.44Å; I211-L215 PolarHBondContact O-N 3.1Å; I211-L225 HydrophobicContact CG1-CD2 4.4Å; I211-L225 HydrophobicContact CG2-CD2 4.3Å; I211-L229 HydrophobicContact CD1-CD1 4.14Å; I211-L229 HydrophobicContact CG1-CD1 3.9Å; I211-L229 HydrophobicContact CG1-CD2 4.43Å; I211-I242 HydrophobicContact CD1-CG1 4.15Å; I211-I245 HydrophobicContact CB-CG2 4.41Å; I211-I245 HydrophobicContact CD1-CB 4.37Å; I211-I245 HydrophobicContact CD1-CG2 3.73Å; I211-I245 HydrophobicContact CG2-CG2 4.48Å; I211-L246 HydrophobicContact CG2-CD2 3.94Å; I211-V249 HydrophobicContact CG2-CG2 3.76Å
212I94.4Very high90.4Very high2 Ų240.4 Ų40.41%0.0120%0.204CC..Hα-helixtrans-55.5-49.4176.9-73.6165.6000111R208 E209 I214 L215 A216 V249 L260 V264 L268R208-I212 HydrophobicContact CG-CD1 3.95Å; R208-I212 VanDerWaalsContact O-CG1 3.26Å; R208-I212 WeakPolarHBondContact O-CG1 3.15Å; R208-I212 PolarHBondContact O-N 3.42Å; E209-I212 PolarHBondContact O-N 3.44Å; I212-I214 VanDerWaalsContact C-N 3.34Å; I212-I214 PolarHBondContact O-N 2.58Å; I212-L215 PolarHBondContact O-N 3.41Å; I212-A216 PolarHBondContact O-N 2.79Å; I212-A216 VanDerWaalsContact O-N 3.13Å; I212-V249 HydrophobicContact CD1-CG1 3.94Å; I212-V249 HydrophobicContact CG1-CB 3.99Å; I212-V249 HydrophobicContact CG1-CG1 3.82Å; I212-V249 HydrophobicContact CG1-CG2 4.33Å; I212-L260 HydrophobicContact CB-CD1 4.33Å; I212-L260 HydrophobicContact CG1-CD1 4.2Å; I212-L260 HydrophobicContact CG2-CD1 4.1Å; I212-V264 HydrophobicContact CD1-CG1 3.46Å; I212-V264 VanDerWaalsContact CD1-CG1 3.46Å; I212-V264 HydrophobicContact CG1-CG1 3.61Å; I212-V264 HydrophobicContact CG2-CG1 4.22Å; I212-L268 HydrophobicContact CG2-CD2 3.55Å; I212-L268 HydrophobicContact CG2-CG 4.17Å
213H93.5Very high90.8Very high3 Ų343.2 Ų43.21%0.01422%0.223CC..Hα-helixtrans-68.3-31.1-179.3-70.785000113E209 R210 I211 D269 W272 Y275E209-H213 PolarHBondContact O-N 3.28Å; E209-H213 VanDerWaalsContact O-N 3.13Å; E209-H213 PolarHBondContact O-ND1 2.85Å; R210-H213 PolarHBondContact O-N 3.26Å; I211-H213 VanDerWaalsContact C-N 3.35Å; I211-H213 PolarHBondContact O-N 2.94Å; H213-D269 PolarHBondContact NE2-N 3.27Å; H213-W272 HydrophobicContact CB-CD2 3.99Å; H213-W272 HydrophobicContact CB-CG 4.21Å; H213-W272 HydrophobicContact CB-CZ2 4Å; H213-W272 AromaticContact CD2-CD2 3.43Å; H213-W272 VanDerWaalsContact CD2-CD2 3.43Å; H213-W272 AromaticContact CD2-CE3 3.69Å; H213-W272 AromaticContact CD2-CG 3.44Å; H213-W272 VanDerWaalsContact CD2-CG 3.44Å; H213-W272 AromaticContact CE1-CD2 3.99Å; H213-W272 AromaticContact CE1-CE3 3.47Å; H213-W272 VanDerWaalsContact CE1-CE3 3.47Å; H213-W272 AromaticContact CE1-CZ3 3.64Å; H213-W272 AromaticContact CG-CD2 3.46Å; H213-W272 VanDerWaalsContact CG-CD2 3.46Å; H213-W272 AromaticContact CG-CE2 3.62Å; H213-W272 AromaticContact CG-CE3 3.76Å; H213-W272 AromaticContact CG-CG 3.83Å; H213-W272 AromaticContact CG-CZ2 3.99Å; H213-W272 AromaticContact ND1-CD2 3.82Å; H213-W272 AromaticContact ND1-CE3 3.62Å; H213-W272 AromaticContact ND1-CH2 3.78Å; H213-W272 AromaticContact ND1-CZ2 3.99Å; H213-W272 AromaticContact ND1-CZ3 3.62Å; H213-W272 AromaticContact NE2-CD2 3.8Å; H213-W272 AromaticContact NE2-CE3 3.53Å; H213-Y275 WeakPolarHBondContact CA-OH 3.09Å; H213-Y275 WeakPolarHBondContact CB-OH 3.22Å; H213-Y275 AromaticContact CD2-CZ 3.85Å; H213-Y275 PolarHBondContact CD2-OH 3.31Å; H213-Y275 VanDerWaalsContact CD2-OH 3.3Å; H213-Y275 PolarHBondContact O-OH 2.9Å
214I93.1Very high91.4Very high19 Ų1942.8 Ų42.810%0.09722%0.219CC..Hα-helixtrans-69.9-47.9174.3-69.7166.2000111.2R210 I211 I212 A216 L217 Y220 L225 R228 L229R210-I214 WeakPolarHBondContact O-CD1 3.47Å; R210-I214 VanDerWaalsContact O-CG1 3.25Å; R210-I214 WeakPolarHBondContact O-CG1 3.31Å; R210-I214 PolarHBondContact O-N 2.94Å; R210-I214 VanDerWaalsContact O-N 3.1Å; I211-I214 PolarHBondContact O-N 3.39Å; I212-I214 VanDerWaalsContact C-N 3.34Å; I212-I214 PolarHBondContact O-N 2.58Å; I214-A216 VanDerWaalsContact C-N 3.3Å; I214-A216 PolarHBondContact O-N 3.02Å; I214-L217 PolarHBondContact O-N 2.94Å; I214-Y220 HydrophobicContact CG2-CD1 4.48Å; I214-Y220 HydrophobicContact CG2-CD2 3.52Å; I214-Y220 HydrophobicContact CG2-CE1 4.27Å; I214-Y220 HydrophobicContact CG2-CE2 3.23Å; I214-Y220 HydrophobicContact CG2-CG 4.16Å; I214-L225 HydrophobicContact CB-CD1 4.32Å; I214-L225 HydrophobicContact CD1-CD1 4.25Å; I214-L225 HydrophobicContact CG2-CD1 3.64Å; I214-R228 HydrophobicContact CD1-CG 4.21Å; I214-L229 HydrophobicContact CD1-CD2 3.65Å; I214-L229 HydrophobicContact CD1-CG 4.21Å
215L94.2Very high91.9Very high7 Ų738.6 Ų38.64%0.03718%0.184CC..Hα-helixtrans-69.9-22.5-177.7-66.4-175.6000113.8I211 I212 L217 R218 Y220 L246 V249 L260I211-L215 HydrophobicContact CG2-CD1 3.85Å; I211-L215 HydrophobicContact CG2-CG 4.12Å; I211-L215 WeakPolarHBondContact O-CG 3.44Å; I211-L215 PolarHBondContact O-N 3.1Å; I212-L215 PolarHBondContact O-N 3.41Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L215-R218 CarbonylContact C-O 3.58Å; L215-R218 WeakPolarHBondContact CA-O 3.26Å; L215-Y220 HydrophobicContact CD2-CD2 4.37Å; L215-L246 HydrophobicContact CD1-CD2 4.02Å; L215-V249 HydrophobicContact CD1-CG2 4.26Å; L215-L260 HydrophobicContact CB-CB 4.13Å
216A92.7Very high92.1Very high3 Ų335.6 Ų35.63%0.02518%0.175CC..Hα-helixtrans-71.5-27.5174.200000113.4I212 I214 L260 L268 R282 I283 L286I212-A216 PolarHBondContact O-N 2.79Å; I212-A216 VanDerWaalsContact O-N 3.13Å; I214-A216 VanDerWaalsContact C-N 3.3Å; I214-A216 PolarHBondContact O-N 3.02Å; A216-L260 HydrophobicContact CB-CD2 3.98Å; A216-L268 HydrophobicContact CB-CD1 3.8Å; A216-L268 HydrophobicContact CB-CD2 3.53Å; A216-L268 HydrophobicContact CB-CG 4.34Å; A216-R282 PolarHBondContact O-NH1 3.18Å; A216-I283 HydrophobicContact CB-CD1 3.34Å; A216-L286 HydrophobicContact CB-CD1 4.26Å; A216-L286 WeakPolarHBondContact O-CD1 3.34Å
217L92Very high92Very high35 Ų3538.3 Ų38.318%0.18318%0.184CC..Hα-helixtrans-76.4-50.1178.4-62.3-173.3000111.8I214 L215 Y275 E279 R282 I283I214-L217 PolarHBondContact O-N 2.94Å; L215-L217 VanDerWaalsContact C-N 3.34Å; L217-Y275 HydrophobicContact CD1-CD1 4.07Å; L217-Y275 HydrophobicContact CD1-CE1 3.67Å; L217-Y275 HydrophobicContact CD2-CD1 4.25Å; L217-Y275 HydrophobicContact CD2-CE1 3.72Å; L217-Y275 HydrophobicContact CG-CE1 3.86Å; L217-E279 HydrophobicContact CD1-CG 4.27Å; L217-E279 WeakPolarHBondContact CD1-OE1 3.48Å; L217-E279 HydrophobicContact CD2-CB 3.7Å; L217-E279 HydrophobicContact CD2-CG 3.81Å; L217-R282 PolarHBondContact O-NE 3.28Å; L217-R282 PolarHBondContact O-NH1 3.47Å; L217-R282 VanDerWaalsContact O-NH1 3.13Å; L217-I283 HydrophobicContact CD2-CD1 4.05Å; L217-I283 HydrophobicContact CD2-CG1 4.21Å
218R91.2Very high91.8Very high102 Ų10241.4 Ų41.439%0.38520%0.195SC..SBendtrans-152.4161.4172.267.6169.4-172.8100.9-18.2110.8L215 Y220 E224L215-R218 CarbonylContact C-O 3.58Å; L215-R218 WeakPolarHBondContact CA-O 3.26Å; R218-Y220 HydrophobicContact CG-CD2 3.78Å; R218-Y220 HydrophobicContact CG-CE2 3.33Å; R218-Y220 VanDerWaalsContact CZ-CE1 3.45Å; R218-Y220 VanDerWaalsContact NE-CZ 3.33Å; R218-Y220 VanDerWaalsContact NH2-CE1 3.25Å; R218-Y220 VanDerWaalsContact O-CD2 3.3Å; R218-Y220 WeakPolarHBondContact O-CD2 3.49Å; R218-E224 IonicContact CZ-OE2 3.64Å; R218-E224 IonicContact NH1-OE2 3.36Å; R218-E224 PolarHBondContact NH1-OE2 2.99Å; R218-E224 IonicContact NH2-OE2 2.75Å; R218-E224 PolarHBondContact NH2-OE2 3.08Å
219P91.2Very high91.7Very high45 Ų4537.7 Ų37.729%0.29218%0.181SC..  trans-62.5146.2164.3-17.332.2000110.9A257 Y258 Y259P219-A257 HydrophobicContact CB-CB 3.88Å; P219-Y258 VanDerWaalsContact CA-O 3.24Å; P219-Y258 WeakPolarHBondContact CA-O 3.35Å; P219-Y258 WeakPolarHBondContact CB-O 3.12Å; P219-Y259 HydrophobicContact CB-CD1 4.06Å; P219-Y259 HydrophobicContact CB-CD2 4.29Å; P219-Y259 HydrophobicContact CB-CE1 3.93Å; P219-Y259 HydrophobicContact CB-CE2 4.14Å; P219-Y259 HydrophobicContact CB-CG 4.23Å; P219-Y259 HydrophobicContact CG-CD1 3.51Å; P219-Y259 HydrophobicContact CG-CE1 3.3Å; P219-Y259 HydrophobicContact CG-CE2 4.41Å; P219-Y259 HydrophobicContact CG-CG 4.16Å
220Y90.9Very high91.3Very high25 Ų2538.7 Ų38.710%0.09819%0.194CC..EExtended strand (participates in β ladder)trans-130.4138.9175-81.6-103.4000110.2I214 L215 R218 E224 R228 Y258I214-Y220 HydrophobicContact CG2-CD1 4.48Å; I214-Y220 HydrophobicContact CG2-CD2 3.52Å; I214-Y220 HydrophobicContact CG2-CE1 4.27Å; I214-Y220 HydrophobicContact CG2-CE2 3.23Å; I214-Y220 HydrophobicContact CG2-CG 4.16Å; L215-Y220 HydrophobicContact CD2-CD2 4.37Å; R218-Y220 HydrophobicContact CG-CD2 3.78Å; R218-Y220 HydrophobicContact CG-CE2 3.33Å; R218-Y220 VanDerWaalsContact CZ-CE1 3.45Å; R218-Y220 VanDerWaalsContact NE-CZ 3.33Å; R218-Y220 VanDerWaalsContact NH2-CE1 3.25Å; R218-Y220 VanDerWaalsContact O-CD2 3.3Å; R218-Y220 WeakPolarHBondContact O-CD2 3.49Å; Y220-E224 HydrophobicContact CD1-CB 3.78Å; Y220-R228 HydrophobicContact CE1-CB 4.11Å; Y220-R228 HydrophobicContact CE1-CG 4.33Å; Y220-Y258 PolarHBondContact N-O 3.22Å; Y220-Y258 PolarHBondContact O-N 3.04Å
221Q90.7Very high90.6Very high56 Ų5647 Ų4726%0.26223%0.225SC..EExtended strand (participates in β ladder)trans-73.9155.2162-58.6-176.127.600110.5P223 E224 L225 A257Q221-P223 HydrophobicContact CB-CG 4.34Å; Q221-E224 HydrophobicContact CB-CG 4.34Å; Q221-E224 WeakPolarHBondContact CB-OE1 2.87Å; Q221-E224 VanDerWaalsContact CG-OE1 3.29Å; Q221-E224 WeakPolarHBondContact CG-OE1 3.26Å; Q221-E224 PolarHBondContact N-OE1 3.38Å; Q221-E224 VanDerWaalsContact N-OE1 3.14Å; Q221-E224 PolarHBondContact O-N 3.4Å; Q221-E224 VanDerWaalsContact O-N 3.12Å; Q221-L225 PolarHBondContact O-N 2.73Å; Q221-A257 HydrophobicContact CG-CB 4.36Å
222R89.8Confident89.6Confident71 Ų7147.7 Ų47.727%0.26823%0.229SC..Hα-helixtrans-49.6-47.5178.5-173.5176.9174.5102.3-0.2114.2L225 L226 S243 Y258R222-L225 PolarHBondContact O-N 3.39Å; R222-L226 HydrophobicContact CG-CD1 4.06Å; R222-L226 WeakPolarHBondContact O-CB 3.37Å; R222-L226 WeakPolarHBondContact O-CG 3.21Å; R222-L226 PolarHBondContact O-N 3.06Å; R222-S243 PolarHBondContact NH1-OG 3.28Å; R222-Y258 HydrophobicContact CB-CE2 4.24Å
223P89.8Confident88.8Confident75 Ų7549.4 Ų49.449%0.48725%0.246SC..Hα-helixtrans-65.8-38.1177.824.1-34.4000113.4Q221 L226 L227Q221-P223 HydrophobicContact CB-CG 4.34Å; P223-L226 PolarHBondContact O-N 2.97Å; P223-L227 WeakPolarHBondContact O-CG 3.26Å; P223-L227 PolarHBondContact O-N 3.21Å
224E91.4Very high88.3Confident62 Ų6250.7 Ų50.729%0.2925%0.253SS..Hα-helixtrans-64.5-41.3175.1-61.9175.5-105.300111.9R218 Y220 Q221 L227 R228R218-E224 IonicContact CZ-OE2 3.64Å; R218-E224 IonicContact NH1-OE2 3.36Å; R218-E224 PolarHBondContact NH1-OE2 2.99Å; R218-E224 IonicContact NH2-OE2 2.75Å; R218-E224 PolarHBondContact NH2-OE2 3.08Å; Y220-E224 HydrophobicContact CD1-CB 3.78Å; Q221-E224 HydrophobicContact CB-CG 4.34Å; Q221-E224 WeakPolarHBondContact CB-OE1 2.87Å; Q221-E224 VanDerWaalsContact CG-OE1 3.29Å; Q221-E224 WeakPolarHBondContact CG-OE1 3.26Å; Q221-E224 PolarHBondContact N-OE1 3.38Å; Q221-E224 VanDerWaalsContact N-OE1 3.14Å; Q221-E224 PolarHBondContact O-N 3.4Å; Q221-E224 VanDerWaalsContact O-N 3.12Å; E224-L227 PolarHBondContact O-N 3.34Å; E224-R228 WeakPolarHBondContact O-CB 3.27Å; E224-R228 PolarHBondContact O-N 2.87Å
225L92.3Very high87.8Confident0 Ų052 Ų520%026%0.264CS..Hα-helixtrans-65.5-42.6178.5-177.563.5000111I211 I214 Q221 R222 R228 L229 L246I211-L225 HydrophobicContact CG1-CD2 4.4Å; I211-L225 HydrophobicContact CG2-CD2 4.3Å; I214-L225 HydrophobicContact CB-CD1 4.32Å; I214-L225 HydrophobicContact CD1-CD1 4.25Å; I214-L225 HydrophobicContact CG2-CD1 3.64Å; Q221-L225 PolarHBondContact O-N 2.73Å; R222-L225 PolarHBondContact O-N 3.39Å; L225-R228 PolarHBondContact O-N 2.85Å; L225-L229 HydrophobicContact CD1-CD1 4.1Å; L225-L229 HydrophobicContact CD1-CG 4.27Å; L225-L229 HydrophobicContact CG-CD1 3.88Å; L225-L229 HydrophobicContact CG-CG 4.45Å; L225-L229 WeakPolarHBondContact O-CB 3.18Å; L225-L229 WeakPolarHBondContact O-CG 3.33Å; L225-L229 PolarHBondContact O-N 3.35Å; L225-L246 HydrophobicContact CD2-CD1 4.02Å; L225-L246 HydrophobicContact CD2-CD2 3.74Å; L225-L246 HydrophobicContact CD2-CG 4.23Å
226L91.1Very high87.1Confident33 Ų3358.4 Ų58.417%0.17329%0.294CS..Hα-helixtrans-57.8-49.7172.2-77.9165.7000111.1R222 P223 R228 L229 S230 L234 K239 I242R222-L226 HydrophobicContact CG-CD1 4.06Å; R222-L226 WeakPolarHBondContact O-CB 3.37Å; R222-L226 WeakPolarHBondContact O-CG 3.21Å; R222-L226 PolarHBondContact O-N 3.06Å; P223-L226 PolarHBondContact O-N 2.97Å; L226-R228 VanDerWaalsContact C-N 3.3Å; L226-R228 PolarHBondContact O-N 3.25Å; L226-L229 PolarHBondContact O-N 2.9Å; L226-S230 WeakPolarHBondContact O-CB 3.37Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 3.02Å; L226-S230 VanDerWaalsContact O-OG 3.06Å; L226-L234 HydrophobicContact CD2-CD2 3.85Å; L226-K239 HydrophobicContact CD2-CG 3.81Å; L226-I242 HydrophobicContact CD2-CD1 3.53Å; L226-I242 HydrophobicContact CG-CD1 4.46Å
227L88.1Confident86.6Confident122 Ų12262.8 Ų62.864%0.63932%0.32SS*.Hα-helixtrans-62.3-34.9177.5-72.4169.6000112.9P223 E224 R231P223-L227 WeakPolarHBondContact O-CG 3.26Å; P223-L227 PolarHBondContact O-N 3.21Å; E224-L227 PolarHBondContact O-N 3.34Å; L227-R231 WeakPolarHBondContact O-CG 2.97Å
228R87.8Confident86.4Confident77 Ų7763.6 Ų63.629%0.29132%0.323SS..Hα-helixtrans-68.8-47.6175.3-176.168.6-166.990.30.8111.6I214 Y220 E224 L225 L226 R231 D232I214-R228 HydrophobicContact CD1-CG 4.21Å; Y220-R228 HydrophobicContact CE1-CB 4.11Å; Y220-R228 HydrophobicContact CE1-CG 4.33Å; E224-R228 WeakPolarHBondContact O-CB 3.27Å; E224-R228 PolarHBondContact O-N 2.87Å; L225-R228 PolarHBondContact O-N 2.85Å; L226-R228 VanDerWaalsContact C-N 3.3Å; L226-R228 PolarHBondContact O-N 3.25Å; R228-R231 PolarHBondContact O-N 3.06Å; R228-D232 IonicContact CZ-OD1 2.71Å; R228-D232 IonicContact CZ-OD2 2.82Å; R228-D232 IonicContact NE-OD2 2.73Å; R228-D232 IonicContact NH1-OD1 2.75Å; R228-D232 PolarHBondContact NH1-OD1 3.28Å; R228-D232 IonicContact NH1-OD2 3.41Å; R228-D232 PolarHBondContact NH1-OD2 3.33Å; R228-D232 IonicContact NH2-OD1 3.71Å; R228-D232 PolarHBondContact NH2-OD1 2.65Å; R228-D232 IonicContact NH2-OD2 3.46Å; R228-D232 PolarHBondContact NH2-OD2 3.48Å; R228-D232 PolarHBondContact O-N 2.6Å
229L90.7Very high86.2Confident0 Ų063.5 Ų63.50%033%0.325CS..Hα-helixtrans-68.7-35.6-179.1-72.5169.2000112.6L207 R210 I211 I214 L225 L226 R231 D232 G233 L234 I242L207-L229 HydrophobicContact CD1-CD1 4.2Å; L207-L229 HydrophobicContact CD1-CD2 4.43Å; R210-L229 HydrophobicContact CB-CD2 4.21Å; I211-L229 HydrophobicContact CD1-CD1 4.14Å; I211-L229 HydrophobicContact CG1-CD1 3.9Å; I211-L229 HydrophobicContact CG1-CD2 4.43Å; I214-L229 HydrophobicContact CD1-CD2 3.65Å; I214-L229 HydrophobicContact CD1-CG 4.21Å; L225-L229 HydrophobicContact CD1-CD1 4.1Å; L225-L229 HydrophobicContact CD1-CG 4.27Å; L225-L229 HydrophobicContact CG-CD1 3.88Å; L225-L229 HydrophobicContact CG-CG 4.45Å; L225-L229 WeakPolarHBondContact O-CB 3.18Å; L225-L229 WeakPolarHBondContact O-CG 3.33Å; L225-L229 PolarHBondContact O-N 3.35Å; L226-L229 PolarHBondContact O-N 2.9Å; L229-R231 PolarHBondContact O-N 3.38Å; L229-D232 CarbonylContact O-C 3.19Å; L229-D232 WeakPolarHBondContact O-CA 3.49Å; L229-D232 PolarHBondContact O-N 3.37Å; L229-G233 PolarHBondContact O-N 2.85Å; L229-G233 VanDerWaalsContact O-N 3.16Å; L229-L234 HydrophobicContact CB-CB 4.14Å; L229-L234 HydrophobicContact CB-CD1 4.21Å; L229-L234 HydrophobicContact CB-CD2 4.13Å; L229-L234 HydrophobicContact CB-CG 4.4Å; L229-L234 HydrophobicContact CD1-CD1 4.44Å; L229-L234 PolarHBondContact O-N 3.34Å; L229-I242 HydrophobicContact CD1-CD1 3.67Å; L229-I242 HydrophobicContact CD1-CG1 4.28Å
230S85.6Confident85.9Confident71 Ų7167.5 Ų67.550%0.49734%0.34SS..Hα-helixtrans-62.2-31.3175.5-67.60000112.8L226 D232 G233L226-S230 WeakPolarHBondContact O-CB 3.37Å; L226-S230 PolarHBondContact O-N 3.31Å; L226-S230 PolarHBondContact O-OG 3.02Å; L226-S230 VanDerWaalsContact O-OG 3.06Å; S230-D232 VanDerWaalsContact C-N 3.32Å; S230-G233 PolarHBondContact O-N 3.48Å
231R78.2Confident85.8Confident178 Ų17871 Ų7167%0.67236%0.358SS*.Hα-helixtrans-70.2-29.5171-65.7174.7-179.8-159-2.6112.5L227 R228 L229 G233L227-R231 WeakPolarHBondContact O-CG 2.97Å; R228-R231 PolarHBondContact O-N 3.06Å; L229-R231 PolarHBondContact O-N 3.38Å; R231-G233 VanDerWaalsContact C-N 3.31Å
232D72.1Confident85.9Confident16 Ų1668.4 Ų68.49%0.08635%0.345CS..THydrogen-bonded Turntrans-94.725.3176.3-52.8-36000112.1L203 R210 R228 L229 S230L203-D232 WeakPolarHBondContact CD2-O 3.47Å; R210-D232 PolarHBondContact NH1-O 3.02Å; R228-D232 IonicContact CZ-OD1 2.71Å; R228-D232 IonicContact CZ-OD2 2.82Å; R228-D232 IonicContact NE-OD2 2.73Å; R228-D232 IonicContact NH1-OD1 2.75Å; R228-D232 PolarHBondContact NH1-OD1 3.28Å; R228-D232 IonicContact NH1-OD2 3.41Å; R228-D232 PolarHBondContact NH1-OD2 3.33Å; R228-D232 IonicContact NH2-OD1 3.71Å; R228-D232 PolarHBondContact NH2-OD1 2.65Å; R228-D232 IonicContact NH2-OD2 3.46Å; R228-D232 PolarHBondContact NH2-OD2 3.48Å; R228-D232 PolarHBondContact O-N 2.6Å; L229-D232 CarbonylContact O-C 3.19Å; L229-D232 WeakPolarHBondContact O-CA 3.49Å; L229-D232 PolarHBondContact O-N 3.37Å; S230-D232 VanDerWaalsContact C-N 3.32Å
233G78.5Confident85.8Confident37 Ų3767.7 Ų67.738%0.38135%0.351SS..  trans64.576.3177.800000114.6R210 L229 S230 R231R210-G233 PolarHBondContact NH1-O 2.93Å; R210-G233 VanDerWaalsContact NH1-O 3.08Å; L229-G233 PolarHBondContact O-N 2.85Å; L229-G233 VanDerWaalsContact O-N 3.16Å; S230-G233 PolarHBondContact O-N 3.48Å; R231-G233 VanDerWaalsContact C-N 3.31Å
234L83.5Confident85.9Confident30 Ų3069.5 Ų69.516%0.15736%0.357CS..  trans-95.8127.1171.5-175.174.3000110.4L207 L226 L229 Q238 K239 I242L207-L234 HydrophobicContact CD1-CD1 3.71Å; L226-L234 HydrophobicContact CD2-CD2 3.85Å; L229-L234 HydrophobicContact CB-CB 4.14Å; L229-L234 HydrophobicContact CB-CD1 4.21Å; L229-L234 HydrophobicContact CB-CD2 4.13Å; L229-L234 HydrophobicContact CB-CG 4.4Å; L229-L234 HydrophobicContact CD1-CD1 4.44Å; L229-L234 PolarHBondContact O-N 3.34Å; L234-Q238 HydrophobicContact CD1-CB 3.52Å; L234-Q238 HydrophobicContact CG-CB 4.22Å; L234-K239 HydrophobicContact CD2-CB 4.49Å; L234-I242 HydrophobicContact CD1-CD1 3.84Å; L234-I242 HydrophobicContact CD2-CD1 3.63Å; L234-I242 HydrophobicContact CG-CD1 4.39Å
235S81.4Confident86Confident46 Ų4667.7 Ų67.732%0.32235%0.349SS..  trans-81.1164.3173.376.20000112.7T237 Q238 K239S235-T237 VanDerWaalsContact C-N 3.35Å; S235-T237 PolarHBondContact O-N 3.03Å; S235-T237 PolarHBondContact OG-OG1 3.48Å; S235-Q238 PolarHBondContact O-N 3.46Å; S235-Q238 WeakPolarHBondContact OG-CB 3.4Å; S235-Q238 VanDerWaalsContact OG-CG 3.25Å; S235-Q238 WeakPolarHBondContact OG-CG 3.37Å; S235-Q238 PolarHBondContact OG-N 3.09Å; S235-K239 PolarHBondContact O-N 3.23Å
236H79.3Confident86Confident143 Ų14367.7 Ų67.766%0.66235%0.349SS*.Hα-helixtrans-61.5-42174.6-160.1104000112.1Q238 K239H236-Q238 VanDerWaalsContact C-N 3.33Å; H236-Q238 PolarHBondContact O-N 3.46Å; H236-K239 WeakPolarHBondContact O-CB 3.32Å; H236-K239 PolarHBondContact O-N 3.48Å; H236-K239 VanDerWaalsContact O-N 3.1Å
237T82.7Confident85.9Confident94 Ų9470.4 Ų70.458%0.57737%0.371SS*.Hα-helixtrans-64.1-34.9175.247.70000113S235 K239S235-T237 VanDerWaalsContact C-N 3.35Å; S235-T237 PolarHBondContact O-N 3.03Å; S235-T237 PolarHBondContact OG-OG1 3.48Å; T237-K239 VanDerWaalsContact C-N 3.31Å; T237-K239 PolarHBondContact O-N 2.99Å
238Q87.1Confident86.1Confident53 Ų5367.3 Ų67.325%0.24836%0.359CS..Hα-helixtrans-69.9-27173.4-76.1176.72.300112.6L207 L234 S235 H236 E240 Q241 I242L207-Q238 HydrophobicContact CD2-CB 3.83Å; L207-Q238 HydrophobicContact CD2-CG 4.08Å; L207-Q238 WeakPolarHBondContact CD2-O 3.37Å; L234-Q238 HydrophobicContact CD1-CB 3.52Å; L234-Q238 HydrophobicContact CG-CB 4.22Å; S235-Q238 PolarHBondContact O-N 3.46Å; S235-Q238 WeakPolarHBondContact OG-CB 3.4Å; S235-Q238 VanDerWaalsContact OG-CG 3.25Å; S235-Q238 WeakPolarHBondContact OG-CG 3.37Å; S235-Q238 PolarHBondContact OG-N 3.09Å; H236-Q238 VanDerWaalsContact C-N 3.33Å; H236-Q238 PolarHBondContact O-N 3.46Å; Q238-E240 VanDerWaalsContact C-N 3.25Å; Q238-E240 PolarHBondContact O-N 3.45Å; Q238-Q241 PolarHBondContact O-N 3.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.5Å; Q238-I242 PolarHBondContact O-N 3.43Å
239K87Confident86.4Confident100 Ų10063.6 Ų63.644%0.43535%0.345SS..Hα-helixtrans-60.3-34.1179.6-167.6-170.7173.4-169.60112.8L226 L234 S235 H236 T237L226-K239 HydrophobicContact CD2-CG 3.81Å; L234-K239 HydrophobicContact CD2-CB 4.49Å; S235-K239 PolarHBondContact O-N 3.23Å; H236-K239 WeakPolarHBondContact O-CB 3.32Å; H236-K239 PolarHBondContact O-N 3.48Å; H236-K239 VanDerWaalsContact O-N 3.1Å; T237-K239 VanDerWaalsContact C-N 3.31Å; T237-K239 PolarHBondContact O-N 2.99Å
240E85.6Confident86.4Confident128 Ų12863.9 Ų63.960%0.59835%0.348SS*.Hα-helixtrans-73.2-53.6179.4-62.3175.8154.300110.1Q238 I242 S243Q238-E240 VanDerWaalsContact C-N 3.25Å; Q238-E240 PolarHBondContact O-N 3.45Å; E240-I242 PolarHBondContact O-N 2.74Å; E240-S243 PolarHBondContact O-N 3.1Å
241Q89.5Confident86.6Confident100 Ų10067.4 Ų67.447%0.46735%0.35SS..Hα-helixtrans-54-21.2179-64.1178.5-17.300114.8L207 Q238 S243 D244 I245L207-Q241 HydrophobicContact CD2-CB 4.03Å; Q238-Q241 PolarHBondContact O-N 3.39Å; Q241-S243 PolarHBondContact O-N 3.03Å; Q241-D244 PolarHBondContact O-N 2.78Å; Q241-I245 HydrophobicContact CB-CD1 4.32Å; Q241-I245 WeakPolarHBondContact O-CB 3.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.32Å; Q241-I245 PolarHBondContact O-N 3.06Å
242I92Very high87.2Confident0 Ų063.2 Ų63.20%035%0.345CS..Hα-helixtrans-56.1-31.9174.1-73.7171.7000112L207 I211 L226 L229 L234 Q238 E240 L246L207-I242 HydrophobicContact CD1-CG1 4.33Å; L207-I242 HydrophobicContact CD2-CG1 4.2Å; I211-I242 HydrophobicContact CD1-CG1 4.15Å; L226-I242 HydrophobicContact CD2-CD1 3.53Å; L226-I242 HydrophobicContact CG-CD1 4.46Å; L229-I242 HydrophobicContact CD1-CD1 3.67Å; L229-I242 HydrophobicContact CD1-CG1 4.28Å; L234-I242 HydrophobicContact CD1-CD1 3.84Å; L234-I242 HydrophobicContact CD2-CD1 3.63Å; L234-I242 HydrophobicContact CG-CD1 4.39Å; Q238-I242 WeakPolarHBondContact O-CG1 3.5Å; Q238-I242 PolarHBondContact O-N 3.43Å; E240-I242 PolarHBondContact O-N 2.74Å; I242-L246 HydrophobicContact CG2-CD1 3.6Å; I242-L246 HydrophobicContact CG2-CG 4.1Å; I242-L246 WeakPolarHBondContact O-CB 3.43Å; I242-L246 WeakPolarHBondContact O-CG 3.27Å; I242-L246 PolarHBondContact O-N 3.42Å
243S88.8Confident87.6Confident57 Ų5763.9 Ų63.940%0.39936%0.355SS..Hα-helixtrans-62.2-51.9177.1-108.70000112.5R222 E240 Q241 L246 S247R222-S243 PolarHBondContact NH1-OG 3.28Å; E240-S243 PolarHBondContact O-N 3.1Å; Q241-S243 PolarHBondContact O-N 3.03Å; S243-L246 PolarHBondContact O-N 2.83Å; S243-S247 PolarHBondContact O-N 2.97Å; S243-S247 VanDerWaalsContact O-N 3.09Å
244D91.3Very high87Confident112 Ų11271 Ų7160%0.59937%0.37SS*.Hα-helixtrans-76.4-32-172.1-42.1-54.9000111.1Q241 S247 S248Q241-D244 PolarHBondContact O-N 2.78Å; D244-S247 PolarHBondContact O-OG 2.91Å; D244-S248 PolarHBondContact O-N 3.46Å
245I94Very high86.6Confident24 Ų2475.3 Ų75.312%0.12339%0.39CS..Hα-helixtrans-64.7-46.6169.5-68.6168.9000110L207 R208 I211 Q241 S247 S248 V249L207-I245 HydrophobicContact CB-CD1 3.95Å; L207-I245 HydrophobicContact CD2-CD1 3.52Å; L207-I245 HydrophobicContact CG-CD1 3.59Å; R208-I245 HydrophobicContact CB-CD1 4.34Å; R208-I245 HydrophobicContact CB-CG1 4.44Å; R208-I245 HydrophobicContact CB-CG2 4.02Å; R208-I245 HydrophobicContact CG-CG2 4.05Å; I211-I245 HydrophobicContact CB-CG2 4.41Å; I211-I245 HydrophobicContact CD1-CB 4.37Å; I211-I245 HydrophobicContact CD1-CG2 3.73Å; I211-I245 HydrophobicContact CG2-CG2 4.48Å; Q241-I245 HydrophobicContact CB-CD1 4.32Å; Q241-I245 WeakPolarHBondContact O-CB 3.47Å; Q241-I245 WeakPolarHBondContact O-CG1 3.32Å; Q241-I245 PolarHBondContact O-N 3.06Å; I245-S247 PolarHBondContact O-N 3.08Å; I245-S248 PolarHBondContact O-N 2.72Å; I245-S248 PolarHBondContact O-OG 3.35Å; I245-V249 HydrophobicContact CG2-CG1 4.45Å; I245-V249 HydrophobicContact CG2-CG2 4.2Å; I245-V249 WeakPolarHBondContact O-CG2 3.44Å; I245-V249 PolarHBondContact O-N 3.5Å
246L92.5Very high86.6Confident0 Ų075.4 Ų75.40%039%0.391CS..Hα-helixtrans-63.2-37.5-178.6-81.1174.6000113.2I211 L215 L225 I242 S243 S248 V249 G250 Y258I211-L246 HydrophobicContact CG2-CD2 3.94Å; L215-L246 HydrophobicContact CD1-CD2 4.02Å; L225-L246 HydrophobicContact CD2-CD1 4.02Å; L225-L246 HydrophobicContact CD2-CD2 3.74Å; L225-L246 HydrophobicContact CD2-CG 4.23Å; I242-L246 HydrophobicContact CG2-CD1 3.6Å; I242-L246 HydrophobicContact CG2-CG 4.1Å; I242-L246 WeakPolarHBondContact O-CB 3.43Å; I242-L246 WeakPolarHBondContact O-CG 3.27Å; I242-L246 PolarHBondContact O-N 3.42Å; S243-L246 PolarHBondContact O-N 2.83Å; L246-S248 VanDerWaalsContact C-N 3.26Å; L246-S248 PolarHBondContact O-N 3.3Å; L246-V249 PolarHBondContact O-N 3.18Å; L246-G250 CarbonylContact O-C 3.59Å; L246-G250 VanDerWaalsContact O-CA 3.3Å; L246-G250 WeakPolarHBondContact O-CA 3.42Å; L246-G250 PolarHBondContact O-N 2.99Å; L246-Y258 HydrophobicContact CB-CD1 3.99Å; L246-Y258 HydrophobicContact CB-CE1 3.73Å; L246-Y258 HydrophobicContact CD1-CD1 4.29Å; L246-Y258 HydrophobicContact CD1-CD2 4.12Å; L246-Y258 HydrophobicContact CD1-CE1 4.04Å; L246-Y258 HydrophobicContact CD1-CE2 3.88Å; L246-Y258 HydrophobicContact CD1-CG 4.32Å; L246-Y258 HydrophobicContact CD2-CD1 3.85Å; L246-Y258 HydrophobicContact CD2-CD2 4.37Å; L246-Y258 HydrophobicContact CD2-CE1 4.35Å; L246-Y258 HydrophobicContact CD2-CG 3.86Å; L246-Y258 HydrophobicContact CG-CD1 4.28Å; L246-Y258 HydrophobicContact CG-CE1 4.27Å
247S88.3Confident87Confident91 Ų9169 Ų6964%0.63636%0.363SS*.Hα-helixtrans-66-28.8173.5610000112.6S243 D244 I245S243-S247 PolarHBondContact O-N 2.97Å; S243-S247 VanDerWaalsContact O-N 3.09Å; D244-S247 PolarHBondContact O-OG 2.91Å; I245-S247 PolarHBondContact O-N 3.08Å
248S92.2Very high87.5Confident56 Ų5666.7 Ų66.739%0.39234%0.343SS..Hα-helixtrans-82.5-26.117778.70000115.3D244 I245 L246D244-S248 PolarHBondContact O-N 3.46Å; I245-S248 PolarHBondContact O-N 2.72Å; I245-S248 PolarHBondContact O-OG 3.35Å; L246-S248 VanDerWaalsContact C-N 3.26Å; L246-S248 PolarHBondContact O-N 3.3Å
249V94Very high87.7Confident0 Ų068 Ų680%035%0.346CS..Hα-helixtrans-118.1-17.7-175.5-50.80000115.2R208 I211 I212 L215 I245 L246 I261 V264R208-V249 HydrophobicContact CG-CG1 3.86Å; I211-V249 HydrophobicContact CG2-CG2 3.76Å; I212-V249 HydrophobicContact CD1-CG1 3.94Å; I212-V249 HydrophobicContact CG1-CB 3.99Å; I212-V249 HydrophobicContact CG1-CG1 3.82Å; I212-V249 HydrophobicContact CG1-CG2 4.33Å; L215-V249 HydrophobicContact CD1-CG2 4.26Å; I245-V249 HydrophobicContact CG2-CG1 4.45Å; I245-V249 HydrophobicContact CG2-CG2 4.2Å; I245-V249 WeakPolarHBondContact O-CG2 3.44Å; I245-V249 PolarHBondContact O-N 3.5Å; L246-V249 PolarHBondContact O-N 3.18Å; V249-I261 WeakPolarHBondContact O-CG1 3.47Å; V249-I261 PolarHBondContact O-N 2.96Å; V249-V264 HydrophobicContact CB-CG1 4.31Å; V249-V264 HydrophobicContact CG1-CG1 4.28Å
250G90.6Very high88.1Confident6 Ų664.1 Ų64.16%0.06233%0.331CS..EExtended strand (participates in β ladder)trans-125.3123.8-171.500000113.2L246 Y259L246-G250 CarbonylContact O-C 3.59Å; L246-G250 VanDerWaalsContact O-CA 3.3Å; L246-G250 WeakPolarHBondContact O-CA 3.42Å; L246-G250 PolarHBondContact O-N 2.99Å; G250-Y259 CarbonylContact C-O 3.59Å; G250-Y259 VanDerWaalsContact CA-O 3.3Å; G250-Y259 WeakPolarHBondContact CA-O 3.38Å
251R90.9Very high88.4Confident144 Ų14460.1 Ų60.154%0.54331%0.313SS..EExtended strand (participates in β ladder)trans-79.9133.3163.864-178.6-178.5169.53.3108.9Y258 Y259 I261R251-Y258 WeakPolarHBondContact O-CA 3.36Å; R251-Y259 WeakPolarHBondContact CG-O 3.13Å; R251-Y259 PolarHBondContact N-O 2.85Å; R251-Y259 PolarHBondContact O-N 2.99Å; R251-I261 HydrophobicContact CB-CG1 4.17Å
252V90.1Very high88.4Confident91 Ų9158.1 Ų58.155%0.55231%0.308SS*.EExtended strand (participates in β ladder)trans-72.1132.3170.3-175.80000108.2Y258V252-Y258 HydrophobicContact CG2-CD1 3.95Å; V252-Y258 HydrophobicContact CG2-CE1 3.52Å
253G79.4Confident88.2Confident29 Ų2961.9 Ų61.930%0.29934%0.335SS..  trans-122.5-159.3172.900000112.2S256 A257G253-S256 PolarHBondContact O-N 3.4Å; G253-A257 PolarHBondContact N-O 2.57Å
254R66.2Low88.4Confident186 Ų18659.5 Ų59.570%0.70232%0.318SS*.G310 helixtrans-52.8144.5-179.8-64.1-178.1-178.4174.7-0.6110.7N19 S256 A257N19-R254 PolarHBondContact OD1-NH2 2.82Å; R254-S256 PolarHBondContact O-N 3.16Å; R254-A257 PolarHBondContact O-N 3.28Å
255Q75.6Confident88.4Confident121 Ų12154.8 Ų54.857%0.56529%0.293SS*.G310 helixtrans61.912.5-177-52.6176.1-6.400116.3K100 A257K100-Q255 PolarHBondContact NZ-O 3.19Å; Q255-A257 PolarHBondContact O-N 3.43Å
256S81.9Confident88.2Confident49 Ų4957 Ų5734%0.34331%0.311SS..G310 helixtrans65.422.9-171.4-39.70000114.2K100 G253 R254K100-S256 WeakPolarHBondContact CD-OG 3.46Å; K100-S256 PolarHBondContact NZ-OG 3.19Å; K100-S256 VanDerWaalsContact NZ-OG 3.14Å; G253-S256 PolarHBondContact O-N 3.4Å; R254-S256 PolarHBondContact O-N 3.16Å
257A87.7Confident88.1Confident9 Ų961 Ų617%0.07433%0.33CS..EExtended strand (participates in β ladder)trans-74.4136.416700000109.8P219 Q221 G253 R254 Q255 Y259P219-A257 HydrophobicContact CB-CB 3.88Å; Q221-A257 HydrophobicContact CG-CB 4.36Å; G253-A257 PolarHBondContact N-O 2.57Å; R254-A257 PolarHBondContact O-N 3.28Å; Q255-A257 PolarHBondContact O-N 3.43Å; A257-Y259 HydrophobicContact CB-CE2 3.97Å; A257-Y259 VanDerWaalsContact O-CD2 3.28Å; A257-Y259 WeakPolarHBondContact O-CD2 3.45Å; A257-Y259 WeakPolarHBondContact O-CE2 3.48Å
258Y92.3Very high88.3Confident44 Ų4456.9 Ų56.917%0.17330%0.3CS..EExtended strand (participates in β ladder)trans-85135.4171.8-67.4-98.3000109.4P219 Y220 R222 L246 R251 V252P219-Y258 VanDerWaalsContact CA-O 3.24Å; P219-Y258 WeakPolarHBondContact CA-O 3.35Å; P219-Y258 WeakPolarHBondContact CB-O 3.12Å; Y220-Y258 PolarHBondContact N-O 3.22Å; Y220-Y258 PolarHBondContact O-N 3.04Å; R222-Y258 HydrophobicContact CB-CE2 4.24Å; L246-Y258 HydrophobicContact CB-CD1 3.99Å; L246-Y258 HydrophobicContact CB-CE1 3.73Å; L246-Y258 HydrophobicContact CD1-CD1 4.29Å; L246-Y258 HydrophobicContact CD1-CD2 4.12Å; L246-Y258 HydrophobicContact CD1-CE1 4.04Å; L246-Y258 HydrophobicContact CD1-CE2 3.88Å; L246-Y258 HydrophobicContact CD1-CG 4.32Å; L246-Y258 HydrophobicContact CD2-CD1 3.85Å; L246-Y258 HydrophobicContact CD2-CD2 4.37Å; L246-Y258 HydrophobicContact CD2-CE1 4.35Å; L246-Y258 HydrophobicContact CD2-CG 3.86Å; L246-Y258 HydrophobicContact CG-CD1 4.28Å; L246-Y258 HydrophobicContact CG-CE1 4.27Å; R251-Y258 WeakPolarHBondContact O-CA 3.36Å; V252-Y258 HydrophobicContact CG2-CD1 3.95Å; V252-Y258 HydrophobicContact CG2-CE1 3.52Å
259Y92.5Very high88.3Confident80 Ų8056.8 Ų56.831%0.31430%0.295SS..EExtended strand (participates in β ladder)trans-117.7138.1176.1-62.4-112000107.7P219 G250 R251 A257 I261P219-Y259 HydrophobicContact CB-CD1 4.06Å; P219-Y259 HydrophobicContact CB-CD2 4.29Å; P219-Y259 HydrophobicContact CB-CE1 3.93Å; P219-Y259 HydrophobicContact CB-CE2 4.14Å; P219-Y259 HydrophobicContact CB-CG 4.23Å; P219-Y259 HydrophobicContact CG-CD1 3.51Å; P219-Y259 HydrophobicContact CG-CE1 3.3Å; P219-Y259 HydrophobicContact CG-CE2 4.41Å; P219-Y259 HydrophobicContact CG-CG 4.16Å; G250-Y259 CarbonylContact C-O 3.59Å; G250-Y259 VanDerWaalsContact CA-O 3.3Å; G250-Y259 WeakPolarHBondContact CA-O 3.38Å; R251-Y259 WeakPolarHBondContact CG-O 3.13Å; R251-Y259 PolarHBondContact N-O 2.85Å; R251-Y259 PolarHBondContact O-N 2.99Å; A257-Y259 HydrophobicContact CB-CE2 3.97Å; A257-Y259 VanDerWaalsContact O-CD2 3.28Å; A257-Y259 WeakPolarHBondContact O-CD2 3.45Å; A257-Y259 WeakPolarHBondContact O-CE2 3.48Å; Y259-I261 PolarHBondContact O-N 2.76Å
260L94.1Very high87.9Confident20 Ų2058 Ų5811%0.10531%0.306CS..EExtended strand (participates in β ladder)trans-56131.5177.2-171.468.4000111I212 L215 A216 V264 V265 L268I212-L260 HydrophobicContact CB-CD1 4.33Å; I212-L260 HydrophobicContact CG1-CD1 4.2Å; I212-L260 HydrophobicContact CG2-CD1 4.1Å; L215-L260 HydrophobicContact CB-CB 4.13Å; A216-L260 HydrophobicContact CB-CD2 3.98Å; L260-V264 HydrophobicContact CD1-CB 4.1Å; L260-V264 HydrophobicContact CD1-CG1 3.93Å; L260-V265 HydrophobicContact CD2-CG2 3.94Å; L260-V265 HydrophobicContact CG-CG2 4.49Å; L260-L268 HydrophobicContact CD2-CD1 3.89Å; L260-L268 HydrophobicContact CD2-CD2 4.29Å; L260-L268 HydrophobicContact CD2-CG 4.26Å
261I92.5Very high87.7Confident43 Ų4364 Ų6422%0.22134%0.336CS..  trans-69.9135.8176.6-61.2170.7000108.8V249 R251 Y259 S263 V264V249-I261 WeakPolarHBondContact O-CG1 3.47Å; V249-I261 PolarHBondContact O-N 2.96Å; R251-I261 HydrophobicContact CB-CG1 4.17Å; Y259-I261 PolarHBondContact O-N 2.76Å; I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 WeakPolarHBondContact CG2-OG 3.4Å; I261-S263 PolarHBondContact O-N 3.5Å; I261-V264 HydrophobicContact CB-CG2 4.32Å; I261-V264 PolarHBondContact O-N 3.03Å
262P88.9Confident87.6Confident58 Ų5857.8 Ų57.838%0.37731%0.313SS..G310 helixtrans-52.4-40-176.4-30.536.4000115.3V264 V265 Q290P262-V264 PolarHBondContact O-N 3.14Å; P262-V265 VanDerWaalsContact O-CB 3.29Å; P262-V265 WeakPolarHBondContact O-CB 3.39Å; P262-V265 WeakPolarHBondContact O-CG2 3.22Å; P262-V265 PolarHBondContact O-N 3.03Å; P262-V265 VanDerWaalsContact O-N 3.14Å; P262-Q290 PolarHBondContact O-NE2 3.19Å; P262-Q290 PolarHBondContact O-OE1 3.05Å; P262-Q290 VanDerWaalsContact O-OE1 3.13Å
263S88.7Confident87.3Confident80 Ų8054.8 Ų54.856%0.55930%0.295SS*.G310 helixtrans-58.3-29.4178.747.50000114I261 S266I261-S263 VanDerWaalsContact C-N 3.3Å; I261-S263 WeakPolarHBondContact CG2-OG 3.4Å; I261-S263 PolarHBondContact O-N 3.5Å; S263-S266 PolarHBondContact O-OG 2.92Å
264V92.6Very high87.3Confident6 Ų656.3 Ų56.34%0.03631%0.311CS..G310 helixtrans-86.7-8.4-176.1-172.50000112.1I212 V249 L260 I261 P262 S266 E267I212-V264 HydrophobicContact CD1-CG1 3.46Å; I212-V264 VanDerWaalsContact CD1-CG1 3.46Å; I212-V264 HydrophobicContact CG1-CG1 3.61Å; I212-V264 HydrophobicContact CG2-CG1 4.22Å; V249-V264 HydrophobicContact CB-CG1 4.31Å; V249-V264 HydrophobicContact CG1-CG1 4.28Å; L260-V264 HydrophobicContact CD1-CB 4.1Å; L260-V264 HydrophobicContact CD1-CG1 3.93Å; I261-V264 HydrophobicContact CB-CG2 4.32Å; I261-V264 PolarHBondContact O-N 3.03Å; P262-V264 PolarHBondContact O-N 3.14Å; V264-S266 PolarHBondContact O-N 2.93Å; V264-E267 HydrophobicContact CG1-CB 4.5Å; V264-E267 HydrophobicContact CG1-CG 4.36Å; V264-E267 WeakPolarHBondContact O-CB 3.08Å; V264-E267 PolarHBondContact O-N 3.16Å
265V90.5Very high88.4Confident13 Ų1348.1 Ų48.18%0.07928%0.28CS..G310 helixtrans-62.1-24.5173.7176.20000112L260 P262 E267 L268 L286 K287 Q290L260-V265 HydrophobicContact CD2-CG2 3.94Å; L260-V265 HydrophobicContact CG-CG2 4.49Å; P262-V265 VanDerWaalsContact O-CB 3.29Å; P262-V265 WeakPolarHBondContact O-CB 3.39Å; P262-V265 WeakPolarHBondContact O-CG2 3.22Å; P262-V265 PolarHBondContact O-N 3.03Å; P262-V265 VanDerWaalsContact O-N 3.14Å; V265-E267 PolarHBondContact O-N 3.5Å; V265-L268 HydrophobicContact CB-CD1 4.43Å; V265-L268 HydrophobicContact CG1-CD1 4.06Å; V265-L268 PolarHBondContact O-N 3.12Å; V265-L286 HydrophobicContact CG1-CB 4.15Å; V265-K287 HydrophobicContact CG1-CG 4.31Å; V265-K287 WeakPolarHBondContact O-CE 3.36Å; V265-Q290 HydrophobicContact CB-CG 3.89Å; V265-Q290 HydrophobicContact CG1-CB 4.18Å; V265-Q290 HydrophobicContact CG1-CG 3.88Å; V265-Q290 HydrophobicContact CG2-CG 4.32Å
266S90Very high89Confident72 Ų7245.9 Ų45.950%0.50328%0.275SS..G310 helixtrans-55.6-37.6171.757.30000112.8S263 V264 L268 K287S263-S266 PolarHBondContact O-OG 2.92Å; V264-S266 PolarHBondContact O-N 2.93Å; S266-L268 VanDerWaalsContact C-N 3.34Å; S266-L268 PolarHBondContact O-N 2.74Å; S266-K287 WeakPolarHBondContact O-CE 3.31Å; S266-K287 PolarHBondContact O-NZ 3.36Å
267E91.4Very high89.1Confident84 Ų8445.5 Ų45.539%0.39328%0.279SS..G310 helixtrans-81.3-4.7-173.1-53-175.6-143.100114.6R208 V264 V265R208-E267 IonicContact CZ-OE1 3.06Å; R208-E267 IonicContact CZ-OE2 3.2Å; R208-E267 IonicContact NH1-OE1 3.68Å; R208-E267 IonicContact NH1-OE2 3.24Å; R208-E267 PolarHBondContact NH1-OE2 3.45Å; R208-E267 IonicContact NH2-OE1 3.96Å; R208-E267 PolarHBondContact NH2-OE1 3.29Å; R208-E267 IonicContact NH2-OE2 3.48Å; R208-E267 PolarHBondContact NH2-OE2 3.05Å; V264-E267 HydrophobicContact CG1-CB 4.5Å; V264-E267 HydrophobicContact CG1-CG 4.36Å; V264-E267 WeakPolarHBondContact O-CB 3.08Å; V264-E267 PolarHBondContact O-N 3.16Å; V265-E267 PolarHBondContact O-N 3.5Å
268L92.8Very high89.1Confident3 Ų348 Ų482%0.01630%0.3CS..  trans-72.1128.7-179.2-70.3167.3000112.4I212 A216 L260 V265 S266 I283 K287I212-L268 HydrophobicContact CG2-CD2 3.55Å; I212-L268 HydrophobicContact CG2-CG 4.17Å; A216-L268 HydrophobicContact CB-CD1 3.8Å; A216-L268 HydrophobicContact CB-CD2 3.53Å; A216-L268 HydrophobicContact CB-CG 4.34Å; L260-L268 HydrophobicContact CD2-CD1 3.89Å; L260-L268 HydrophobicContact CD2-CD2 4.29Å; L260-L268 HydrophobicContact CD2-CG 4.26Å; V265-L268 HydrophobicContact CB-CD1 4.43Å; V265-L268 HydrophobicContact CG1-CD1 4.06Å; V265-L268 PolarHBondContact O-N 3.12Å; S266-L268 VanDerWaalsContact C-N 3.34Å; S266-L268 PolarHBondContact O-N 2.74Å; L268-I283 HydrophobicContact CB-CG2 3.96Å; L268-I283 HydrophobicContact CD1-CD1 4.25Å; L268-I283 HydrophobicContact CD1-CG2 4.35Å; L268-I283 HydrophobicContact CD2-CD1 4.34Å; L268-K287 HydrophobicContact CB-CD 4.21Å; L268-K287 HydrophobicContact CB-CG 4.47Å; L268-K287 WeakPolarHBondContact O-CD 3.43Å; L268-K287 WeakPolarHBondContact O-CE 3.49Å; L268-K287 PolarHBondContact O-NZ 3.28Å
269D90.6Very high89Confident54 Ų5448.7 Ų48.729%0.28930%0.304SS..  trans-82.8131.3166.9-172.28.5000110.7H213 N271 W272H213-D269 PolarHBondContact NE2-N 3.27Å; D269-N271 VanDerWaalsContact C-N 3.3Å; D269-N271 WeakPolarHBondContact OD1-CB 3.44Å; D269-N271 PolarHBondContact OD1-N 3.22Å; D269-W272 HydrophobicContact CB-CB 4.38Å; D269-W272 PolarHBondContact OD2-N 3.48Å
270A87.2Confident89Confident27 Ų2749.3 Ų49.322%0.22331%0.306CS..THydrogen-bonded Turntrans-77.4-19172.400000112.3R280 I284A270-R280 WeakPolarHBondContact O-CD 3.49Å; A270-R280 VanDerWaalsContact O-CG 3.25Å; A270-R280 WeakPolarHBondContact O-CG 3.26Å; A270-I284 HydrophobicContact CB-CG1 4.06Å
271N86.1Confident88.8Confident131 Ų13156.8 Ų56.870%0.70133%0.333SS*.THydrogen-bonded Turntrans-99.88.4-179.2-62.8-33.2000113.4D269D269-N271 VanDerWaalsContact C-N 3.3Å; D269-N271 WeakPolarHBondContact OD1-CB 3.44Å; D269-N271 PolarHBondContact OD1-N 3.22Å
272W89.3Confident88.7Confident13 Ų1360.7 Ų60.75%0.04935%0.345CS..  trans-47.4130.4-175.3-177.8-102.5000113.4V202 R205 E209 R210 H213 D269 G274 Y275V202-W272 HydrophobicContact CG1-CZ2 3.92Å; R205-W272 HydrophobicContact CB-CH2 3.56Å; R205-W272 HydrophobicContact CB-CZ3 4.07Å; R205-W272 HydrophobicContact CG-CH2 3.59Å; R205-W272 HydrophobicContact CG-CZ3 3.68Å; E209-W272 HydrophobicContact CB-CH2 4.42Å; E209-W272 HydrophobicContact CG-CH2 3.81Å; E209-W272 HydrophobicContact CG-CZ3 3.59Å; R210-W272 HydrophobicContact CG-CH2 4.45Å; R210-W272 HydrophobicContact CG-CZ2 4.35Å; H213-W272 HydrophobicContact CB-CD2 3.99Å; H213-W272 HydrophobicContact CB-CG 4.21Å; H213-W272 HydrophobicContact CB-CZ2 4Å; H213-W272 AromaticContact CD2-CD2 3.43Å; H213-W272 VanDerWaalsContact CD2-CD2 3.43Å; H213-W272 AromaticContact CD2-CE3 3.69Å; H213-W272 AromaticContact CD2-CG 3.44Å; H213-W272 VanDerWaalsContact CD2-CG 3.44Å; H213-W272 AromaticContact CE1-CD2 3.99Å; H213-W272 AromaticContact CE1-CE3 3.47Å; H213-W272 VanDerWaalsContact CE1-CE3 3.47Å; H213-W272 AromaticContact CE1-CZ3 3.64Å; H213-W272 AromaticContact CG-CD2 3.46Å; H213-W272 VanDerWaalsContact CG-CD2 3.46Å; H213-W272 AromaticContact CG-CE2 3.62Å; H213-W272 AromaticContact CG-CE3 3.76Å; H213-W272 AromaticContact CG-CG 3.83Å; H213-W272 AromaticContact CG-CZ2 3.99Å; H213-W272 AromaticContact ND1-CD2 3.82Å; H213-W272 AromaticContact ND1-CE3 3.62Å; H213-W272 AromaticContact ND1-CH2 3.78Å; H213-W272 AromaticContact ND1-CZ2 3.99Å; H213-W272 AromaticContact ND1-CZ3 3.62Å; H213-W272 AromaticContact NE2-CD2 3.8Å; H213-W272 AromaticContact NE2-CE3 3.53Å; D269-W272 HydrophobicContact CB-CB 4.38Å; D269-W272 PolarHBondContact OD2-N 3.48Å; W272-G274 PolarHBondContact O-N 3.08Å; W272-Y275 HydrophobicContact CB-CD2 3.6Å; W272-Y275 HydrophobicContact CB-CE2 3.48Å; W272-Y275 VanDerWaalsContact CB-CE2 3.48Å; W272-Y275 HydrophobicContact CB-CG 4.2Å; W272-Y275 AromaticContact CD1-CD1 3.82Å; W272-Y275 AromaticContact CD1-CE1 3.64Å; W272-Y275 AromaticContact CD1-CZ 3.84Å; W272-Y275 HydrophobicContact CG-CD2 4.36Å; W272-Y275 HydrophobicContact CG-CE1 4.35Å; W272-Y275 HydrophobicContact CG-CE2 4.08Å; W272-Y275 PolarHBondContact O-N 3.37Å
273P82.5Confident88.9Confident28 Ų2858 Ų5818%0.18233%0.327CS..THydrogen-bonded Turntrans-60.5133.3-177.4-22.532.5000112.5D201 V202D201-P273 HydrophobicContact CB-CB 3.76Å; D201-P273 HydrophobicContact CB-CG 3.59Å; V202-P273 HydrophobicContact CG2-CB 3.87Å; V202-P273 VanDerWaalsContact CG2-O 3.28Å; V202-P273 WeakPolarHBondContact CG2-O 3.45Å
274G80.2Confident88.9Confident61 Ų6158.3 Ų58.363%0.62932%0.322SS*.THydrogen-bonded Turntrans89-6.8179.100000116.1W272W272-G274 PolarHBondContact O-N 3.08Å
275Y89.3Confident88.8Confident15 Ų1561 Ų616%0.05934%0.341CS..  trans-65.3142.5169.4-76.5-16.2000112.1H213 L217 W272 E279 R280 I283H213-Y275 WeakPolarHBondContact CA-OH 3.09Å; H213-Y275 WeakPolarHBondContact CB-OH 3.22Å; H213-Y275 AromaticContact CD2-CZ 3.85Å; H213-Y275 PolarHBondContact CD2-OH 3.31Å; H213-Y275 VanDerWaalsContact CD2-OH 3.3Å; H213-Y275 PolarHBondContact O-OH 2.9Å; L217-Y275 HydrophobicContact CD1-CD1 4.07Å; L217-Y275 HydrophobicContact CD1-CE1 3.67Å; L217-Y275 HydrophobicContact CD2-CD1 4.25Å; L217-Y275 HydrophobicContact CD2-CE1 3.72Å; L217-Y275 HydrophobicContact CG-CE1 3.86Å; W272-Y275 HydrophobicContact CB-CD2 3.6Å; W272-Y275 HydrophobicContact CB-CE2 3.48Å; W272-Y275 VanDerWaalsContact CB-CE2 3.48Å; W272-Y275 HydrophobicContact CB-CG 4.2Å; W272-Y275 AromaticContact CD1-CD1 3.82Å; W272-Y275 AromaticContact CD1-CE1 3.64Å; W272-Y275 AromaticContact CD1-CZ 3.84Å; W272-Y275 HydrophobicContact CG-CD2 4.36Å; W272-Y275 HydrophobicContact CG-CE1 4.35Å; W272-Y275 HydrophobicContact CG-CE2 4.08Å; W272-Y275 PolarHBondContact O-N 3.37Å; Y275-E279 HydrophobicContact CD1-CB 4.25Å; Y275-E279 HydrophobicContact CG-CB 4.25Å; Y275-R280 HydrophobicContact CD2-CG 4.25Å; Y275-R280 PolarHBondContact O-NH1 3.06Å; Y275-R280 PolarHBondContact O-NH2 3.39Å; Y275-I283 HydrophobicContact CD2-CG1 4.28Å; Y275-I283 HydrophobicContact CE2-CB 4.35Å; Y275-I283 HydrophobicContact CE2-CD1 4.2Å; Y275-I283 HydrophobicContact CE2-CG1 3.55Å; Y275-I283 HydrophobicContact CE2-CG2 4.45Å; Y275-I283 WeakPolarHBondContact OH-CD1 3.36Å
276T87.5Confident88.7Confident73 Ų7363.1 Ų63.145%0.44835%0.351SS..  trans-80.3168.4166.964.60000112.1A278 E279 R280T276-A278 PolarHBondContact O-N 3.41Å; T276-A278 PolarHBondContact OG1-N 3.48Å; T276-E279 VanDerWaalsContact CB-OE2 3.24Å; T276-E279 WeakPolarHBondContact CB-OE2 3.48Å; T276-E279 VanDerWaalsContact CG2-OE2 3.26Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.41Å; T276-E279 PolarHBondContact N-OE2 3.13Å; T276-E279 PolarHBondContact O-N 3Å; T276-E279 VanDerWaalsContact OG1-CD 3.27Å; T276-E279 WeakPolarHBondContact OG1-CG 3.47Å; T276-E279 PolarHBondContact OG1-N 3.36Å; T276-E279 PolarHBondContact OG1-OE2 3.46Å; T276-R280 PolarHBondContact O-N 3.04Å
277G84.5Confident88.6Confident42 Ų4262.8 Ų62.843%0.43334%0.341SS..Hα-helixtrans-66.5-13172.900000114.9R281G277-R281 PolarHBondContact O-NE 2.89Å; G277-R281 PolarHBondContact O-NH2 2.79Å
278A87Confident88.2Confident61 Ų6162.1 Ų62.150%0.50434%0.343SS..Hα-helixtrans-82.7-44.9169.500000110.8T276 R281 R282T276-A278 PolarHBondContact O-N 3.41Å; T276-A278 PolarHBondContact OG1-N 3.48Å; A278-R281 PolarHBondContact O-N 3.38Å; A278-R282 PolarHBondContact O-N 3.07Å; A278-R282 VanDerWaalsContact O-N 3.09Å
279E91.6Very high87.5Confident59 Ų5964.8 Ų64.828%0.27636%0.362SS..Hα-helixtrans-67.3-43.4-178.1-68.3161.7138.800111.8L217 Y275 T276 R281 R282 I283L217-E279 HydrophobicContact CD1-CG 4.27Å; L217-E279 WeakPolarHBondContact CD1-OE1 3.48Å; L217-E279 HydrophobicContact CD2-CB 3.7Å; L217-E279 HydrophobicContact CD2-CG 3.81Å; Y275-E279 HydrophobicContact CD1-CB 4.25Å; Y275-E279 HydrophobicContact CG-CB 4.25Å; T276-E279 VanDerWaalsContact CB-OE2 3.24Å; T276-E279 WeakPolarHBondContact CB-OE2 3.48Å; T276-E279 VanDerWaalsContact CG2-OE2 3.26Å; T276-E279 WeakPolarHBondContact CG2-OE2 3.41Å; T276-E279 PolarHBondContact N-OE2 3.13Å; T276-E279 PolarHBondContact O-N 3Å; T276-E279 VanDerWaalsContact OG1-CD 3.27Å; T276-E279 WeakPolarHBondContact OG1-CG 3.47Å; T276-E279 PolarHBondContact OG1-N 3.36Å; T276-E279 PolarHBondContact OG1-OE2 3.46Å; E279-R281 VanDerWaalsContact C-N 3.25Å; E279-R281 PolarHBondContact O-N 3.45Å; E279-R282 WeakPolarHBondContact O-CA 3.41Å; E279-R282 WeakPolarHBondContact O-CB 3.38Å; E279-R282 PolarHBondContact O-N 2.83Å; E279-I283 WeakPolarHBondContact O-CG1 3.47Å; E279-I283 PolarHBondContact O-N 2.95Å
280R92.3Very high86.5Confident92 Ų9265.3 Ų65.335%0.34736%0.362SS..Hα-helixtrans-53.4-42.1171.8-76.3-165.6-92.5-71.9-10.2112.6A270 Y275 T276 I283 I284A270-R280 WeakPolarHBondContact O-CD 3.49Å; A270-R280 VanDerWaalsContact O-CG 3.25Å; A270-R280 WeakPolarHBondContact O-CG 3.26Å; Y275-R280 HydrophobicContact CD2-CG 4.25Å; Y275-R280 PolarHBondContact O-NH1 3.06Å; Y275-R280 PolarHBondContact O-NH2 3.39Å; T276-R280 PolarHBondContact O-N 3.04Å; R280-I283 PolarHBondContact O-N 3.24Å; R280-I284 WeakPolarHBondContact O-CB 3.32Å; R280-I284 WeakPolarHBondContact O-CD1 3.33Å; R280-I284 VanDerWaalsContact O-CG1 3.24Å; R280-I284 WeakPolarHBondContact O-CG1 3.42Å; R280-I284 PolarHBondContact O-N 2.9Å
281R90.1Very high85.4Confident178 Ų17870.5 Ų70.567%0.67238%0.382SS*.Hα-helixtrans-66.7-37.2176.7-75.7-179.1-72173.9-0.3112.5G277 A278 E279 S285G277-R281 PolarHBondContact O-NE 2.89Å; G277-R281 PolarHBondContact O-NH2 2.79Å; A278-R281 PolarHBondContact O-N 3.38Å; E279-R281 VanDerWaalsContact C-N 3.25Å; E279-R281 PolarHBondContact O-N 3.45Å; R281-S285 VanDerWaalsContact O-CB 3.3Å; R281-S285 WeakPolarHBondContact O-CB 3.21Å; R281-S285 PolarHBondContact O-N 2.83Å
282R90.6Very high83.9Confident125 Ų12568.8 Ų68.847%0.47238%0.38SS..Hα-helixtrans-61.4-45.6171.6172.4-178.9-114.7-88.6-1.7111.6A216 L217 A278 E279 S285 L286A216-R282 PolarHBondContact O-NH1 3.18Å; L217-R282 PolarHBondContact O-NE 3.28Å; L217-R282 PolarHBondContact O-NH1 3.47Å; L217-R282 VanDerWaalsContact O-NH1 3.13Å; A278-R282 PolarHBondContact O-N 3.07Å; A278-R282 VanDerWaalsContact O-N 3.09Å; E279-R282 WeakPolarHBondContact O-CA 3.41Å; E279-R282 WeakPolarHBondContact O-CB 3.38Å; E279-R282 PolarHBondContact O-N 2.83Å; R282-S285 WeakPolarHBondContact O-CB 3.28Å; R282-S285 PolarHBondContact O-N 2.9Å; R282-L286 HydrophobicContact CG-CD1 4.25Å; R282-L286 WeakPolarHBondContact O-CG 3.49Å; R282-L286 PolarHBondContact O-N 3.14Å
283I91.6Very high82Confident0 Ų075.4 Ų75.40%041%0.412CS..Hα-helixtrans-67.3-45.9-178.2-62.6-65.8000111.3A216 L217 L268 Y275 E279 R280 S285 L286 K287A216-I283 HydrophobicContact CB-CD1 3.34Å; L217-I283 HydrophobicContact CD2-CD1 4.05Å; L217-I283 HydrophobicContact CD2-CG1 4.21Å; L268-I283 HydrophobicContact CB-CG2 3.96Å; L268-I283 HydrophobicContact CD1-CD1 4.25Å; L268-I283 HydrophobicContact CD1-CG2 4.35Å; L268-I283 HydrophobicContact CD2-CD1 4.34Å; Y275-I283 HydrophobicContact CD2-CG1 4.28Å; Y275-I283 HydrophobicContact CE2-CB 4.35Å; Y275-I283 HydrophobicContact CE2-CD1 4.2Å; Y275-I283 HydrophobicContact CE2-CG1 3.55Å; Y275-I283 HydrophobicContact CE2-CG2 4.45Å; Y275-I283 WeakPolarHBondContact OH-CD1 3.36Å; E279-I283 WeakPolarHBondContact O-CG1 3.47Å; E279-I283 PolarHBondContact O-N 2.95Å; R280-I283 PolarHBondContact O-N 3.24Å; I283-S285 VanDerWaalsContact C-N 3.29Å; I283-S285 PolarHBondContact O-N 3.15Å; I283-L286 HydrophobicContact CD1-CD1 4.35Å; I283-L286 PolarHBondContact O-N 3.28Å; I283-L286 VanDerWaalsContact O-N 3.16Å; I283-K287 WeakPolarHBondContact O-CG 3.49Å; I283-K287 PolarHBondContact O-N 3.42Å
284I89.7Confident80Confident88 Ų8879.4 Ų79.445%0.45144%0.436SS..Hα-helixtrans-55.9-46.5172-67.4163.4000110.1A270 R280 L286 K287 T288A270-I284 HydrophobicContact CB-CG1 4.06Å; R280-I284 WeakPolarHBondContact O-CB 3.32Å; R280-I284 WeakPolarHBondContact O-CD1 3.33Å; R280-I284 VanDerWaalsContact O-CG1 3.24Å; R280-I284 WeakPolarHBondContact O-CG1 3.42Å; R280-I284 PolarHBondContact O-N 2.9Å; I284-L286 PolarHBondContact O-N 2.92Å; I284-K287 PolarHBondContact O-N 2.93Å; I284-T288 HydrophobicContact CG2-CG2 4.48Å; I284-T288 WeakPolarHBondContact O-CG2 3.11Å; I284-T288 PolarHBondContact O-N 2.84Å; I284-T288 PolarHBondContact O-OG1 3.42Å
285S89.1Confident78.1Confident63 Ų6381.1 Ų81.144%0.44144%0.436SS..Hα-helixtrans-56.8-46.7176.2-171.30000112.2R281 R282 I283 K287 T288 S289R281-S285 VanDerWaalsContact O-CB 3.3Å; R281-S285 WeakPolarHBondContact O-CB 3.21Å; R281-S285 PolarHBondContact O-N 2.83Å; R282-S285 WeakPolarHBondContact O-CB 3.28Å; R282-S285 PolarHBondContact O-N 2.9Å; I283-S285 VanDerWaalsContact C-N 3.29Å; I283-S285 PolarHBondContact O-N 3.15Å; S285-K287 PolarHBondContact O-N 2.92Å; S285-T288 WeakPolarHBondContact CA-OG1 3.38Å; S285-T288 PolarHBondContact O-N 2.92Å; S285-T288 PolarHBondContact O-OG1 2.97Å; S285-S289 PolarHBondContact O-N 3.31Å; S285-S289 PolarHBondContact O-OG 3.11Å; S285-S289 VanDerWaalsContact O-OG 3.07Å
286L88.3Confident75.6Confident56 Ų5686.6 Ų86.629%0.29347%0.473SS..Hα-helixtrans-60.4-45.1177.9-72.9169.3000112.1A216 V265 R282 I283 I284 S289 Q290A216-L286 HydrophobicContact CB-CD1 4.26Å; A216-L286 WeakPolarHBondContact O-CD1 3.34Å; V265-L286 HydrophobicContact CG1-CB 4.15Å; R282-L286 HydrophobicContact CG-CD1 4.25Å; R282-L286 WeakPolarHBondContact O-CG 3.49Å; R282-L286 PolarHBondContact O-N 3.14Å; I283-L286 HydrophobicContact CD1-CD1 4.35Å; I283-L286 PolarHBondContact O-N 3.28Å; I283-L286 VanDerWaalsContact O-N 3.16Å; I284-L286 PolarHBondContact O-N 2.92Å; L286-S289 PolarHBondContact O-N 3.25Å; L286-Q290 PolarHBondContact O-N 3.06Å; L286-Q290 VanDerWaalsContact O-N 3.12Å
287K88Confident73.3Confident66 Ų6688.8 Ų88.829%0.28748%0.476SS..Hα-helixtrans-63.4-41.7177-60-16382.5164.10111.9V265 S266 L268 I283 I284 S285 Q290 Q291V265-K287 HydrophobicContact CG1-CG 4.31Å; V265-K287 WeakPolarHBondContact O-CE 3.36Å; S266-K287 WeakPolarHBondContact O-CE 3.31Å; S266-K287 PolarHBondContact O-NZ 3.36Å; L268-K287 HydrophobicContact CB-CD 4.21Å; L268-K287 HydrophobicContact CB-CG 4.47Å; L268-K287 WeakPolarHBondContact O-CD 3.43Å; L268-K287 WeakPolarHBondContact O-CE 3.49Å; L268-K287 PolarHBondContact O-NZ 3.28Å; I283-K287 WeakPolarHBondContact O-CG 3.49Å; I283-K287 PolarHBondContact O-N 3.42Å; I284-K287 PolarHBondContact O-N 2.93Å; S285-K287 PolarHBondContact O-N 2.92Å; K287-Q290 PolarHBondContact O-N 2.97Å; K287-Q291 WeakPolarHBondContact O-CG 3.21Å; K287-Q291 PolarHBondContact O-N 3.24Å; K287-Q291 VanDerWaalsContact O-N 3.14Å
288T84.7Confident71Confident70 Ų7092.1 Ų92.143%0.42949%0.493SS..Hα-helixtrans-67.8-38.5176.756.60000113.3I284 S285 Q290 Q291 S292I284-T288 HydrophobicContact CG2-CG2 4.48Å; I284-T288 WeakPolarHBondContact O-CG2 3.11Å; I284-T288 PolarHBondContact O-N 2.84Å; I284-T288 PolarHBondContact O-OG1 3.42Å; S285-T288 WeakPolarHBondContact CA-OG1 3.38Å; S285-T288 PolarHBondContact O-N 2.92Å; S285-T288 PolarHBondContact O-OG1 2.97Å; T288-Q290 VanDerWaalsContact C-N 3.33Å; T288-Q290 PolarHBondContact O-N 3.19Å; T288-Q291 PolarHBondContact O-N 3.05Å; T288-S292 PolarHBondContact O-N 3.43Å
289S78.2Confident69.1Low59 Ų5994.5 Ų94.541%0.41350%0.504SS..Hα-helixtrans-64.2-38.1176.6-62.20000111.9S285 L286 S292S285-S289 PolarHBondContact O-N 3.31Å; S285-S289 PolarHBondContact O-OG 3.11Å; S285-S289 VanDerWaalsContact O-OG 3.07Å; L286-S289 PolarHBondContact O-N 3.25Å; S289-S292 WeakPolarHBondContact CA-OG 3.48Å; S289-S292 PolarHBondContact O-N 3.4Å; S289-S292 PolarHBondContact O-OG 3.03Å
290Q69.3Low66.6Low64 Ų6497.6 Ų97.630%0.29953%0.527SS..Hα-helixtrans-62.9-43.6172.7-106.3-103.5-56.200112.6P262 V265 L286 K287 T288 S292 Q293P262-Q290 PolarHBondContact O-NE2 3.19Å; P262-Q290 PolarHBondContact O-OE1 3.05Å; P262-Q290 VanDerWaalsContact O-OE1 3.13Å; V265-Q290 HydrophobicContact CB-CG 3.89Å; V265-Q290 HydrophobicContact CG1-CB 4.18Å; V265-Q290 HydrophobicContact CG1-CG 3.88Å; V265-Q290 HydrophobicContact CG2-CG 4.32Å; L286-Q290 PolarHBondContact O-N 3.06Å; L286-Q290 VanDerWaalsContact O-N 3.12Å; K287-Q290 PolarHBondContact O-N 2.97Å; T288-Q290 VanDerWaalsContact C-N 3.33Å; T288-Q290 PolarHBondContact O-N 3.19Å; Q290-S292 VanDerWaalsContact C-N 3.28Å; Q290-S292 PolarHBondContact O-N 3.32Å; Q290-Q293 PolarHBondContact O-N 3.45Å
291Q63.3Low64Low136 Ų13698.4 Ų98.464%0.63654%0.538SS*.Hα-helixtrans-63.1-33.5175.9-72173.1-18.300112.6K287 T288 Q293 T294K287-Q291 WeakPolarHBondContact O-CG 3.21Å; K287-Q291 PolarHBondContact O-N 3.24Å; K287-Q291 VanDerWaalsContact O-N 3.14Å; T288-Q291 PolarHBondContact O-N 3.05Å; Q291-Q293 PolarHBondContact O-N 3.48Å; Q291-T294 PolarHBondContact O-OG1 2.94Å; Q291-T294 VanDerWaalsContact O-OG1 3.09Å
292S55.8Low61.6Low95 Ų9599.7 Ų99.766%0.66454%0.543SS*.THydrogen-bonded Turntrans-72-3.3-179.969.80000115.7T288 S289 Q290T288-S292 PolarHBondContact O-N 3.43Å; S289-S292 WeakPolarHBondContact CA-OG 3.48Å; S289-S292 PolarHBondContact O-N 3.4Å; S289-S292 PolarHBondContact O-OG 3.03Å; Q290-S292 VanDerWaalsContact C-N 3.28Å; Q290-S292 PolarHBondContact O-N 3.32Å
293Q49.1Very low59.1Low153 Ų15398 Ų9872%0.71555%0.55SS**THydrogen-bonded Turntrans-96.116178.4-68.3-173.5-17.200113.8Q290 Q291Q290-Q293 PolarHBondContact O-N 3.45Å; Q291-Q293 PolarHBondContact O-N 3.48Å
294T40.8Very low56.8Low112 Ų112109 Ų10969%0.68759%0.592SS**PPolyproline II helixtrans-95.9121171.753.40000111Q291Q291-T294 PolarHBondContact O-OG1 2.94Å; Q291-T294 VanDerWaalsContact O-OG1 3.09Å
295P38.8Very low54.4Low96 Ų96111.2 Ų111.262%0.62361%0.609SS**PPolyproline II helixtrans-75.5143.617730.2-34000111
296P38.2Very low52.2Low131 Ų131112.9 Ų112.985%0.85163%0.627SS**PPolyproline II helixtrans-67.4142.2178.429.3-35000111
297K37.3Very low50Low118 Ų118115.8 Ų115.851%0.51365%0.652SS.*  trans-126.9137.2175.1-66.9-169.4179.3-173.40111.6A552 S553K297-A552 VanDerWaalsContact CD-O 3.31Å; K297-A552 WeakPolarHBondContact CD-O 3.34Å; K297-A552 VanDerWaalsContact NZ-C 3.31Å; K297-A552 PolarHBondContact NZ-O 3.4Å; K297-S553 PolarHBondContact NZ-O 2.85Å
298S38Very low47.9Very low112 Ų112118 Ų11878%0.78367%0.673SS**  trans-160.3171.9-179.2650000107.4
299P45.3Very low45.8Very low112 Ų112121.8 Ų121.873%0.72769%0.691SS**  cis-126.9-149.3-7.141.6-25.5000111.3
300T39.7Very low44Very low123 Ų123125.2 Ų125.276%0.75570%0.704SS**  trans91.5124.6172.4-34.20000112.3
301D38.6Very low42.4Very low109 Ų109127 Ų12758%0.58372%0.724SS**  cis-146.1158.939.8-154.72.7000116
302R38.9Very low41.3Very low205 Ų205125.6 Ų125.677%0.77473%0.73SS**  trans40.6105.1149.7-89.3164-118.5-155.9-1.2122
303S37.7Very low40.6Very low90 Ų90127.5 Ų127.563%0.62974%0.737SS**  137.212594.7-76.50000117
304R43.3Very low40.1Very low231 Ų231126.1 Ų126.187%0.87274%0.741SS**  trans65.7151.3153-57.2168.9-169.9-145.30.5115.7
305T40.1Very low40.1Very low134 Ų134125.8 Ų125.882%0.82274%0.744SS**  cis-167.9150.3-16.422.40000105
306A43.6Very low40.2Very low99 Ų99128.9 Ų128.982%0.81876%0.755SS**  cis-146.3-161.5500000111.1
307S41.8Very low40.4Very low116 Ų116129.1 Ų129.181%0.81175%0.749SS**  trans-73.7164.8-162.4-53.90000117.8
308P42.8Very low40.7Very low113 Ų113129.8 Ų129.873%0.73475%0.754SS**  trans-105.8174.4179.742.2-35.4000114.2
309D41.1Very low40.8Very low149 Ų149135 Ų13580%0.79776%0.763SS**  trans-169.3167.8156.6-95.5-35.1000109.8
310N39.8Very low40.7Very low131 Ų131135.1 Ų135.170%0.70176%0.762SS**  -166.9145.6-54.3-127.8-40.5000110.9
311S37.2Very low41.1Very low101 Ų101140.6 Ų140.671%0.70677%0.769SS**  trans66.3143.9155.976.30000123
312S39.4Very low41.5Very low108 Ų108146.8 Ų146.876%0.75578%0.784SS**  trans68.2142.8160.978.20000118.9
313T41.5Very low41.7Very low135 Ų135143 Ų14383%0.82879%0.786SS**  cis-153.4163.1-23.87.90000108.2
314P37.7Very low42.3Very low123 Ų123144.9 Ų144.980%0.79979%0.794SS**  trans-97.8146.5-159.936.6-35.7000116.8
315S40.4Very low42.5Very low105 Ų105145.2 Ų145.273%0.73480%0.795SS**  trans-159.2126.2152.857.40000111.2
316D41.2Very low42.9Very low161 Ų161143 Ų14386%0.86179%0.79SS**  trans32108.9152.7-50.4-44.5000120.9
317D43.9Very low43.1Very low137 Ų137145.8 Ų145.873%0.73379%0.791SS**  -167.9167.1117.6-147.4-4.8000115
318Q43.2Very low43Very low132 Ų132143.9 Ų143.962%0.61778%0.782SS**  trans60.967150.4-79.1170.261.800121.6T320Q318-T320 VanDerWaalsContact C-N 3.31Å; Q318-T320 PolarHBondContact O-N 2.83Å; Q318-T320 PolarHBondContact O-OG1 3.29Å
319F40.6Very low42.8Very low220 Ų220144 Ų14497%0.96578%0.784SS**  28.739.4110.3-120.4-83.8000121.8
320T42.4Very low42.8Very low115 Ų115142.7 Ų142.771%0.70679%0.786SS**  trans-132.819.4-17453.70000117.7Q318Q318-T320 VanDerWaalsContact C-N 3.31Å; Q318-T320 PolarHBondContact O-N 2.83Å; Q318-T320 PolarHBondContact O-OG1 3.29Å
321R49Very low42.6Very low238 Ų238140.7 Ų140.790%0.89879%0.787SS**  trans-125.6119.1172.3-64.5-170.5-168.2-103.1-2113.9
322R45.5Very low43Very low240 Ų240139.6 Ų139.691%0.90678%0.778SS**PPolyproline II helixtrans-69.2123.3178.5-176.1-178-170.7171.84.8110.6T324R322-T324 PolarHBondContact O-N 2.96Å
323P43.7Very low43.6Very low125 Ų125140.8 Ų140.881%0.81277%0.771SS**PPolyproline II helixtrans-60.6124.1-179.1-26.635.6000113.3
324T50.2Low45.2Very low129 Ų129137.6 Ų137.679%0.79176%0.759SS**PPolyproline II helixtrans-76139.3175.8-17.70000110.5R322 A326R322-T324 PolarHBondContact O-N 2.96Å; T324-A326 PolarHBondContact O-N 3.33Å
325R47.8Very low47.4Very low239 Ų239136.4 Ų136.490%0.90275%0.745SS**G310 helixtrans-65.7-2.7-165.6-164.1172.3179.61700.7116.3
326A49Very low49.5Very low88 Ų88134.9 Ų134.973%0.72773%0.734SS**G310 helixtrans-80.3-27.9-166.700000115.4T324T324-A326 PolarHBondContact O-N 3.33Å
327N47Very low51.8Low157 Ų157130.2 Ų130.284%0.8471%0.707SS**G310 helixtrans-104.315.4-175.6-71.746.4000113.5P329N327-P329 WeakPolarHBondContact O-CD 3.17Å
328A39.2Very low54.1Low75 Ų75125.7 Ų125.762%0.6268%0.68SS**  trans-74.6120.9175.800000109.9S330A328-S330 PolarHBondContact O-N 3.47Å
329P39.8Very low56.4Low117 Ų117123.5 Ų123.576%0.7667%0.672SS**  trans-60.3139.4173.726.1-33.7000109.5N327 A331N327-P329 WeakPolarHBondContact O-CD 3.17Å; P329-A331 PolarHBondContact O-N 2.76Å
330S40.9Very low58.9Low121 Ų121114.7 Ų114.785%0.84664%0.64SS**  trans-53.3107.2-174.9-172.80000110.5A328 P332A328-S330 PolarHBondContact O-N 3.47Å; S330-P332 WeakPolarHBondContact O-CD 3.31Å
331A35.6Very low61.3Low88 Ų88109.2 Ų109.273%0.72761%0.606SS**  trans-65.1106.7-166.900000110.2P329 H333P329-A331 PolarHBondContact O-N 2.76Å; A331-H333 PolarHBondContact O-N 2.87Å
332P45.2Very low63.3Low79 Ų7999 Ų9951%0.51357%0.569SS.*  trans-73.6111.3-178.230.4-29.4000106.6S330 A334 K337S330-P332 WeakPolarHBondContact O-CD 3.31Å; P332-A334 PolarHBondContact O-N 2.86Å; P332-K337 HydrophobicContact CB-CG 4.45Å; P332-K337 HydrophobicContact CG-CD 4.3Å
333H51.9Low65.5Low132 Ų13292.4 Ų92.461%0.61155%0.552SS**  trans-49.7117.8-174.4-175.1-95.3000109.5A331 L335 S336A331-H333 PolarHBondContact O-N 2.87Å; H333-L335 WeakPolarHBondContact ND1-CB 3.42Å; H333-L335 PolarHBondContact O-N 2.84Å; H333-S336 WeakPolarHBondContact O-CB 3.31Å; H333-S336 PolarHBondContact O-N 3.47Å
334A74.5Confident67.8Low68 Ų6888.2 Ų88.256%0.56252%0.522SS*.Hα-helixtrans-58.7-29.2-162.500000113.1P332 S336 K337 K338P332-A334 PolarHBondContact O-N 2.86Å; A334-S336 VanDerWaalsContact C-N 3.33Å; A334-S336 PolarHBondContact O-N 3.01Å; A334-K337 PolarHBondContact O-N 3.19Å; A334-K338 WeakPolarHBondContact O-CB 3.25Å; A334-K338 PolarHBondContact O-N 3.13Å
335L84.4Confident69.8Low99 Ų9983.5 Ų83.552%0.51849%0.492SS..Hα-helixtrans-60.5-38.1172.7-165.872.2000112.8H333 K338 I339H333-L335 WeakPolarHBondContact ND1-CB 3.42Å; H333-L335 PolarHBondContact O-N 2.84Å; L335-K338 PolarHBondContact O-N 3.29Å; L335-I339 HydrophobicContact CD2-CD1 4.31Å; L335-I339 HydrophobicContact CG-CD1 3.92Å; L335-I339 HydrophobicContact CG-CG1 4.44Å; L335-I339 WeakPolarHBondContact O-CB 3.29Å; L335-I339 VanDerWaalsContact O-CG1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.43Å; L335-I339 PolarHBondContact O-N 3Å
336S85.6Confident71.7Confident73 Ų7377 Ų7751%0.5148%0.482SS..Hα-helixtrans-69.2-40-179.7-54.30000111.6H333 A334 A340H333-S336 WeakPolarHBondContact O-CB 3.31Å; H333-S336 PolarHBondContact O-N 3.47Å; A334-S336 VanDerWaalsContact C-N 3.33Å; A334-S336 PolarHBondContact O-N 3.01Å; S336-A340 WeakPolarHBondContact O-CB 3.03Å; S336-A340 PolarHBondContact O-N 2.87Å; S336-A340 VanDerWaalsContact O-N 3.09Å
337K89.1Confident73.7Confident63 Ų6376.7 Ų76.727%0.27448%0.479SS..Hα-helixtrans-65.8-38.4168.7-78.1-163.6175.2-169.50111.8P332 A334 A341 L358 V360 W368P332-K337 HydrophobicContact CB-CG 4.45Å; P332-K337 HydrophobicContact CG-CD 4.3Å; A334-K337 PolarHBondContact O-N 3.19Å; K337-A341 WeakPolarHBondContact O-CB 3.5Å; K337-A341 PolarHBondContact O-N 2.86Å; K337-L358 VanDerWaalsContact CE-O 3.26Å; K337-L358 WeakPolarHBondContact CE-O 3.44Å; K337-L358 PolarHBondContact NZ-O 3.28Å; K337-V360 HydrophobicContact CD-CG2 4.16Å; K337-W368 HydrophobicContact CB-CH2 3.9Å; K337-W368 HydrophobicContact CB-CZ3 4.38Å
338K92.3Very high75.9Confident41 Ų4172.4 Ų72.418%0.17847%0.472CS..Hα-helixtrans-63.2-44.9175.9-176.7-178.1176.3-149.30112.2A334 L335 A341 L342 W368 E372A334-K338 WeakPolarHBondContact O-CB 3.25Å; A334-K338 PolarHBondContact O-N 3.13Å; L335-K338 PolarHBondContact O-N 3.29Å; K338-A341 PolarHBondContact O-N 2.85Å; K338-L342 HydrophobicContact CD-CD1 4.46Å; K338-L342 HydrophobicContact CG-CD1 4.12Å; K338-L342 HydrophobicContact CG-CG 4.39Å; K338-L342 WeakPolarHBondContact O-CB 3.47Å; K338-L342 WeakPolarHBondContact O-CG 3.14Å; K338-L342 PolarHBondContact O-N 3.49Å; K338-W368 HydrophobicContact CB-CD2 3.89Å; K338-W368 HydrophobicContact CB-CE3 3.97Å; K338-W368 HydrophobicContact CB-CG 4.41Å; K338-W368 HydrophobicContact CB-CH2 4.4Å; K338-W368 HydrophobicContact CB-CZ2 4.33Å; K338-W368 HydrophobicContact CB-CZ3 4.23Å; K338-W368 HydrophobicContact CD-CB 4.22Å; K338-W368 HydrophobicContact CD-CD2 4.4Å; K338-W368 HydrophobicContact CD-CG 3.99Å; K338-W368 HydrophobicContact CG-CB 4.06Å; K338-W368 HydrophobicContact CG-CD2 3.78Å; K338-W368 HydrophobicContact CG-CE3 4.04Å; K338-W368 HydrophobicContact CG-CG 3.8Å; K338-E372 IonicContact NZ-OE2 2.68Å; K338-E372 PolarHBondContact NZ-OE2 3.11Å
339I90.8Very high78.4Confident86 Ų8670.9 Ų70.944%0.44146%0.455SS..Hα-helixtrans-62-56.3178.4-70.2163.2000109.3L335 A341 L342 D343L335-I339 HydrophobicContact CD2-CD1 4.31Å; L335-I339 HydrophobicContact CG-CD1 3.92Å; L335-I339 HydrophobicContact CG-CG1 4.44Å; L335-I339 WeakPolarHBondContact O-CB 3.29Å; L335-I339 VanDerWaalsContact O-CG1 3.26Å; L335-I339 WeakPolarHBondContact O-CG1 3.43Å; L335-I339 PolarHBondContact O-N 3Å; I339-A341 PolarHBondContact O-N 3.03Å; I339-L342 PolarHBondContact O-N 2.91Å; I339-D343 VanDerWaalsContact CG2-OD2 3.27Å; I339-D343 WeakPolarHBondContact CG2-OD2 3.37Å; I339-D343 VanDerWaalsContact O-CG 3.29Å; I339-D343 PolarHBondContact O-N 2.85Å
340A92.5Very high80.9Confident35 Ų3568.6 Ų68.629%0.28944%0.442SS..Hα-helixtrans-56.5-38.2178.400000112.9S336 M344 L358S336-A340 WeakPolarHBondContact O-CB 3.03Å; S336-A340 PolarHBondContact O-N 2.87Å; S336-A340 VanDerWaalsContact O-N 3.09Å; A340-M344 WeakPolarHBondContact O-CB 3.38Å; A340-M344 VanDerWaalsContact O-CG 3.25Å; A340-M344 WeakPolarHBondContact O-CG 3.48Å; A340-M344 PolarHBondContact O-N 3.23Å; A340-L358 HydrophobicContact CB-CD1 4.3Å; A340-L358 HydrophobicContact CB-CD2 4.23Å
341A93Very high83.4Confident0 Ų064.1 Ų64.10%041%0.408CS..Hα-helixtrans-63.6-48.2174.500000112.7K337 K338 I339 M344 L345 V354 L358 L365 W368K337-A341 WeakPolarHBondContact O-CB 3.5Å; K337-A341 PolarHBondContact O-N 2.86Å; K338-A341 PolarHBondContact O-N 2.85Å; I339-A341 PolarHBondContact O-N 3.03Å; A341-M344 PolarHBondContact O-N 3.5Å; A341-L345 WeakPolarHBondContact O-CB 3.42Å; A341-L345 VanDerWaalsContact O-CG 3.23Å; A341-L345 WeakPolarHBondContact O-CG 3.28Å; A341-L345 PolarHBondContact O-N 2.8Å; A341-V354 HydrophobicContact CB-CG1 3.99Å; A341-L358 VanDerWaalsContact CA-CD1 3.49Å; A341-L358 HydrophobicContact CB-CD1 3.59Å; A341-L365 HydrophobicContact CB-CD2 3.6Å; A341-W368 HydrophobicContact CB-CE3 3.81Å; A341-W368 HydrophobicContact CB-CZ3 3.76Å
342L91.6Very high86Confident25 Ų2564.5 Ų64.513%0.13140%0.401CS..Hα-helixtrans-67.3-37.5179.3-72.9179.2000112.1K338 I339 L345 C346 E372K338-L342 HydrophobicContact CD-CD1 4.46Å; K338-L342 HydrophobicContact CG-CD1 4.12Å; K338-L342 HydrophobicContact CG-CG 4.39Å; K338-L342 WeakPolarHBondContact O-CB 3.47Å; K338-L342 WeakPolarHBondContact O-CG 3.14Å; K338-L342 PolarHBondContact O-N 3.49Å; I339-L342 PolarHBondContact O-N 2.91Å; L342-L345 PolarHBondContact O-N 2.96Å; L342-C346 WeakPolarHBondContact O-CB 3.38Å; L342-C346 PolarHBondContact O-N 3.46Å; L342-C346 PolarHBondContact O-SG 2.99Å; L342-E372 HydrophobicContact CD1-CB 3.98Å; L342-E372 HydrophobicContact CD1-CG 3.76Å; L342-E372 HydrophobicContact CD2-CB 4.29Å; L342-E372 HydrophobicContact CD2-CG 4.34Å
343D92Very high88.2Confident100 Ų10064.6 Ų64.654%0.53540%0.395SS..Hα-helixtrans-64.9-44.3176.6-65.8-24.7000111I339 C346 A347I339-D343 VanDerWaalsContact CG2-OD2 3.27Å; I339-D343 WeakPolarHBondContact CG2-OD2 3.37Å; I339-D343 VanDerWaalsContact O-CG 3.29Å; I339-D343 PolarHBondContact O-N 2.85Å; D343-C346 PolarHBondContact O-N 3.48Å; D343-A347 WeakPolarHBondContact O-CB 3.44Å; D343-A347 PolarHBondContact O-N 3.45Å
344M92.5Very high90.2Very high38 Ų3858.3 Ų58.319%0.18737%0.366CS..Hα-helixtrans-63.5-41.7174.8-73-173.87100112.6A340 A341 A347 G348 V349 V354 R357A340-M344 WeakPolarHBondContact O-CB 3.38Å; A340-M344 VanDerWaalsContact O-CG 3.25Å; A340-M344 WeakPolarHBondContact O-CG 3.48Å; A340-M344 PolarHBondContact O-N 3.23Å; A341-M344 PolarHBondContact O-N 3.5Å; M344-A347 CarbonylContact O-C 3.57Å; M344-A347 PolarHBondContact O-N 2.84Å; M344-G348 PolarHBondContact O-N 2.87Å; M344-V349 HydrophobicContact CB-CB 4.29Å; M344-V349 HydrophobicContact CB-CG2 4.38Å; M344-V349 HydrophobicContact CE-CB 4.33Å; M344-V349 HydrophobicContact CE-CG1 3.83Å; M344-V349 HydrophobicContact CE-CG2 4.28Å; M344-V349 VanDerWaalsContact O-CB 3.26Å; M344-V349 WeakPolarHBondContact O-CB 3.3Å; M344-V349 WeakPolarHBondContact O-CG2 3.41Å; M344-V349 PolarHBondContact O-N 2.86Å; M344-V354 HydrophobicContact CB-CG1 4.38Å; M344-V354 HydrophobicContact CB-CG2 3.68Å; M344-V354 HydrophobicContact CE-CG2 4.11Å; M344-V354 HydrophobicContact SD-CG2 4.46Å; M344-R357 VanDerWaalsContact CE-CD 3.48Å
345L90.6Very high91.1Very high29 Ų2955.9 Ų55.915%0.15235%0.346CS..Hα-helixtrans-65.9-37.4175.3-70.9174.7000111.9A341 L342 A347 G348 V349 V354 L365 R369A341-L345 WeakPolarHBondContact O-CB 3.42Å; A341-L345 VanDerWaalsContact O-CG 3.23Å; A341-L345 WeakPolarHBondContact O-CG 3.28Å; A341-L345 PolarHBondContact O-N 2.8Å; L342-L345 PolarHBondContact O-N 2.96Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 3.27Å; L345-G348 PolarHBondContact O-N 3.26Å; L345-G348 VanDerWaalsContact O-N 3.17Å; L345-V349 WeakPolarHBondContact CD2-O 3.35Å; L345-V354 HydrophobicContact CD2-CB 4.45Å; L345-V354 HydrophobicContact CD2-CG2 3.94Å; L345-V354 HydrophobicContact CG-CG2 4.24Å; L345-L365 HydrophobicContact CD1-CD2 4.1Å; L345-R369 VanDerWaalsContact CD2-NH2 3.34Å
346C88.4Confident91.4Very high104 Ų10454.9 Ų54.970%0.70335%0.352SS*.Hα-helixtrans-66.4-31172.8-70.20000112.4L342 D343 G348L342-C346 WeakPolarHBondContact O-CB 3.38Å; L342-C346 PolarHBondContact O-N 3.46Å; L342-C346 PolarHBondContact O-SG 2.99Å; D343-C346 PolarHBondContact O-N 3.48Å; C346-G348 PolarHBondContact O-N 2.85Å
347A91.7Very high91.6Very high80 Ų8059.3 Ų59.366%0.66136%0.357SS*.THydrogen-bonded Turntrans-77.58.4172.600000113.9D343 M344 L345D343-A347 WeakPolarHBondContact O-CB 3.44Å; D343-A347 PolarHBondContact O-N 3.45Å; M344-A347 CarbonylContact O-C 3.57Å; M344-A347 PolarHBondContact O-N 2.84Å; L345-A347 VanDerWaalsContact C-N 3.3Å; L345-A347 PolarHBondContact O-N 3.27Å
348G91.9Very high91.7Very high67 Ų6757.9 Ų57.969%0.69135%0.352SS*.THydrogen-bonded Turntrans80.19.9176.600000115.2M344 L345 C346M344-G348 PolarHBondContact O-N 2.87Å; L345-G348 PolarHBondContact O-N 3.26Å; L345-G348 VanDerWaalsContact O-N 3.17Å; C346-G348 PolarHBondContact O-N 2.85Å
349V91.9Very high91.5Very high43 Ų4358.7 Ų58.726%0.26137%0.373SS..  trans-72.6138.2178.3-174.30000110.2M344 L345 E353 V354M344-V349 HydrophobicContact CB-CB 4.29Å; M344-V349 HydrophobicContact CB-CG2 4.38Å; M344-V349 HydrophobicContact CE-CB 4.33Å; M344-V349 HydrophobicContact CE-CG1 3.83Å; M344-V349 HydrophobicContact CE-CG2 4.28Å; M344-V349 VanDerWaalsContact O-CB 3.26Å; M344-V349 WeakPolarHBondContact O-CB 3.3Å; M344-V349 WeakPolarHBondContact O-CG2 3.41Å; M344-V349 PolarHBondContact O-N 2.86Å; L345-V349 WeakPolarHBondContact CD2-O 3.35Å; V349-E353 HydrophobicContact CG1-CB 3.67Å; V349-E353 HydrophobicContact CG1-CG 3.51Å; V349-V354 HydrophobicContact CB-CG2 3.96Å; V349-V354 HydrophobicContact CG1-CG2 3.74Å
350S93.5Very high91.4Very high69 Ų6955.4 Ų55.448%0.48336%0.357SS..  trans-67.9150.4-17579.80000113.2V352 E353 V354S350-V352 PolarHBondContact O-N 3.2Å; S350-E353 PolarHBondContact O-N 3.09Å; S350-E353 VanDerWaalsContact O-N 3.12Å; S350-E353 WeakPolarHBondContact OG-CB 3.44Å; S350-E353 PolarHBondContact OG-N 2.69Å; S350-V354 WeakPolarHBondContact O-CG2 3.38Å; S350-V354 PolarHBondContact O-N 2.88Å
351D91.5Very high91.3Very high27 Ų2760.7 Ų60.714%0.14437%0.373CS..Hα-helixtrans-47.9-39.7176.9-64.5-16.2000113.2A355 R362 R369D351-A355 WeakPolarHBondContact O-CB 3.48Å; D351-A355 PolarHBondContact O-N 2.95Å; D351-R362 HydrophobicContact CB-CG 4.23Å; D351-R362 IonicContact OD2-CZ 3.25Å; D351-R362 VanDerWaalsContact OD2-CZ 3.25Å; D351-R362 IonicContact OD2-NE 2.8Å; D351-R362 PolarHBondContact OD2-NE 2.99Å; D351-R362 IonicContact OD2-NH2 2.71Å; D351-R362 PolarHBondContact OD2-NH2 3.27Å; D351-R369 IonicContact OD1-CZ 3.11Å; D351-R369 IonicContact OD1-NH1 3.89Å; D351-R369 PolarHBondContact OD1-NH1 3.4Å; D351-R369 IonicContact OD1-NH2 2.7Å; D351-R369 PolarHBondContact OD1-NH2 2.96Å; D351-R369 IonicContact OD2-NH1 2.7Å
352V91.6Very high91Very high96 Ų9667.2 Ų67.258%0.58240%0.398SS*.Hα-helixtrans-72.6-42.6-174.6-176.40000110.7S350 A355 A356S350-V352 PolarHBondContact O-N 3.2Å; V352-A355 PolarHBondContact O-N 3.33Å; V352-A356 WeakPolarHBondContact O-CB 3.37Å; V352-A356 PolarHBondContact O-N 2.73Å
353E91.7Very high90.8Very high81 Ų8168.1 Ų68.138%0.37941%0.413SS..Hα-helixtrans-65.4-42.6176.6-173.375.1-152.700111V349 S350 R357V349-E353 HydrophobicContact CG1-CB 3.67Å; V349-E353 HydrophobicContact CG1-CG 3.51Å; S350-E353 PolarHBondContact O-N 3.09Å; S350-E353 VanDerWaalsContact O-N 3.12Å; S350-E353 WeakPolarHBondContact OG-CB 3.44Å; S350-E353 PolarHBondContact OG-N 2.69Å; E353-R357 WeakPolarHBondContact O-CB 3.21Å; E353-R357 VanDerWaalsContact O-CG 3.32Å; E353-R357 WeakPolarHBondContact O-CG 3.27Å; E353-R357 PolarHBondContact O-N 3.38Å; E353-R357 IonicContact OE1-CZ 2.8Å; E353-R357 IonicContact OE1-NE 2.75Å; E353-R357 PolarHBondContact OE1-NE 2.76Å; E353-R357 IonicContact OE1-NH2 2.76Å; E353-R357 PolarHBondContact OE1-NH2 3.47Å
354V93.7Very high90.7Very high0 Ų065.3 Ų65.30%040%0.398CS..Hα-helixtrans-68.1-42.1176.3-176.40000111.5A341 M344 L345 V349 S350 A356 L358 L365A341-V354 HydrophobicContact CB-CG1 3.99Å; M344-V354 HydrophobicContact CB-CG1 4.38Å; M344-V354 HydrophobicContact CB-CG2 3.68Å; M344-V354 HydrophobicContact CE-CG2 4.11Å; M344-V354 HydrophobicContact SD-CG2 4.46Å; L345-V354 HydrophobicContact CD2-CB 4.45Å; L345-V354 HydrophobicContact CD2-CG2 3.94Å; L345-V354 HydrophobicContact CG-CG2 4.24Å; V349-V354 HydrophobicContact CB-CG2 3.96Å; V349-V354 HydrophobicContact CG1-CG2 3.74Å; S350-V354 WeakPolarHBondContact O-CG2 3.38Å; S350-V354 PolarHBondContact O-N 2.88Å; V354-A356 PolarHBondContact O-N 2.89Å; V354-L358 HydrophobicContact CG1-CD1 3.81Å; V354-L358 WeakPolarHBondContact O-CB 3.31Å; V354-L358 PolarHBondContact O-N 3.41Å; V354-L358 VanDerWaalsContact O-N 3.08Å; V354-L365 HydrophobicContact CB-CD2 4.44Å; V354-L365 HydrophobicContact CG1-CD2 3.67Å
355A91.9Very high90.7Very high18 Ų1863.6 Ų63.615%0.14939%0.389CS..Hα-helixtrans-58-46.4175.100000112.1D351 V352 G359 V360 L365D351-A355 WeakPolarHBondContact O-CB 3.48Å; D351-A355 PolarHBondContact O-N 2.95Å; V352-A355 PolarHBondContact O-N 3.33Å; A355-G359 WeakPolarHBondContact O-CA 3.15Å; A355-G359 PolarHBondContact O-N 3.46Å; A355-V360 VanDerWaalsContact CA-O 3.28Å; A355-V360 WeakPolarHBondContact CA-O 3.32Å; A355-V360 WeakPolarHBondContact CB-O 3.49Å; A355-V360 PolarHBondContact O-N 2.75Å; A355-L365 HydrophobicContact CB-CD1 3.7Å
356A90.9Very high90.6Very high77 Ų7765.4 Ų65.464%0.63640%0.399SS*.Hα-helixtrans-65.5-53.717800000111.9V352 V354 L358 G359V352-A356 WeakPolarHBondContact O-CB 3.37Å; V352-A356 PolarHBondContact O-N 2.73Å; V354-A356 PolarHBondContact O-N 2.89Å; A356-L358 VanDerWaalsContact C-N 3.31Å; A356-L358 PolarHBondContact O-N 3.29Å; A356-G359 PolarHBondContact O-N 3.35Å
357R90.8Very high90.6Very high166 Ų16665.9 Ų65.963%0.62639%0.391SS*.Hα-helixtrans-62.6-33.3-176-73.9179.6-174.9-156.28.1113.9M344 E353M344-R357 VanDerWaalsContact CE-CD 3.48Å; E353-R357 WeakPolarHBondContact O-CB 3.21Å; E353-R357 VanDerWaalsContact O-CG 3.32Å; E353-R357 WeakPolarHBondContact O-CG 3.27Å; E353-R357 PolarHBondContact O-N 3.38Å; E353-R357 IonicContact OE1-CZ 2.8Å; E353-R357 IonicContact OE1-NE 2.75Å; E353-R357 PolarHBondContact OE1-NE 2.76Å; E353-R357 IonicContact OE1-NH2 2.76Å; E353-R357 PolarHBondContact OE1-NH2 3.47Å
358L90.2Very high90.6Very high33 Ų3363.6 Ų63.617%0.17337%0.365CS..Hα-helixtrans-98.7-6.7-179.1-63.4176.1000113.7K337 A340 A341 V354 A356 V360K337-L358 VanDerWaalsContact CE-O 3.26Å; K337-L358 WeakPolarHBondContact CE-O 3.44Å; K337-L358 PolarHBondContact NZ-O 3.28Å; A340-L358 HydrophobicContact CB-CD1 4.3Å; A340-L358 HydrophobicContact CB-CD2 4.23Å; A341-L358 VanDerWaalsContact CA-CD1 3.49Å; A341-L358 HydrophobicContact CB-CD1 3.59Å; V354-L358 HydrophobicContact CG1-CD1 3.81Å; V354-L358 WeakPolarHBondContact O-CB 3.31Å; V354-L358 PolarHBondContact O-N 3.41Å; V354-L358 VanDerWaalsContact O-N 3.08Å; A356-L358 VanDerWaalsContact C-N 3.31Å; A356-L358 PolarHBondContact O-N 3.29Å; L358-V360 HydrophobicContact CB-CG2 4.01Å
359G89.8Confident90.5Very high59 Ų5964.6 Ų64.661%0.60835%0.348SS*.THydrogen-bonded Turntrans58.357.5-17400000111.4A355 A356A355-G359 WeakPolarHBondContact O-CA 3.15Å; A355-G359 PolarHBondContact O-N 3.46Å; A356-G359 PolarHBondContact O-N 3.35Å
360V88.2Confident90.4Very high17 Ų1765 Ų6510%0.10336%0.356CS..  trans-133.7129.6-176.5173.90000109.1K337 A355 L358 L364 L365 W368K337-V360 HydrophobicContact CD-CG2 4.16Å; A355-V360 VanDerWaalsContact CA-O 3.28Å; A355-V360 WeakPolarHBondContact CA-O 3.32Å; A355-V360 WeakPolarHBondContact CB-O 3.49Å; A355-V360 PolarHBondContact O-N 2.75Å; L358-V360 HydrophobicContact CB-CG2 4.01Å; V360-L364 HydrophobicContact CG1-CB 3.9Å; V360-L364 HydrophobicContact CG1-CD2 4.03Å; V360-L364 HydrophobicContact CG1-CG 4.23Å; V360-L365 HydrophobicContact CG1-CD1 4.27Å; V360-L365 HydrophobicContact CG1-CG 3.96Å; V360-W368 HydrophobicContact CG1-CH2 4.19Å; V360-W368 HydrophobicContact CG1-CZ3 4.13Å; V360-W368 HydrophobicContact CG2-CH2 3.98Å; V360-W368 HydrophobicContact CG2-CZ3 4.19Å
361F88.9Confident90.3Very high145 Ų14565.4 Ų65.464%0.63635%0.353SS*.  trans-71.5144.517873.6-90000111.6G363 L364F361-G363 VanDerWaalsContact C-N 3.34Å; F361-G363 PolarHBondContact O-N 2.9Å; F361-L364 HydrophobicContact CD1-CB 4.08Å; F361-L364 HydrophobicContact CD2-CB 4.33Å; F361-L364 HydrophobicContact CE1-CB 3.76Å; F361-L364 HydrophobicContact CE1-CD2 4.2Å; F361-L364 HydrophobicContact CE1-CG 4.46Å; F361-L364 HydrophobicContact CE2-CB 4.02Å; F361-L364 HydrophobicContact CG-CB 4.35Å; F361-L364 HydrophobicContact CZ-CB 3.73Å; F361-L364 WeakPolarHBondContact O-CB 3.43Å; F361-L364 PolarHBondContact O-N 3.44Å
362R87.5Confident90.2Very high138 Ų13866 Ų6652%0.52136%0.355SS..Hα-helixtrans-55.6-41.6-168.8-165.7173.1179.3-163-0.2114.1D351 L364 L365 D366D351-R362 HydrophobicContact CB-CG 4.23Å; D351-R362 IonicContact OD2-CZ 3.25Å; D351-R362 VanDerWaalsContact OD2-CZ 3.25Å; D351-R362 IonicContact OD2-NE 2.8Å; D351-R362 PolarHBondContact OD2-NE 2.99Å; D351-R362 IonicContact OD2-NH2 2.71Å; D351-R362 PolarHBondContact OD2-NH2 3.27Å; R362-L364 PolarHBondContact O-N 2.94Å; R362-L364 VanDerWaalsContact O-N 3.14Å; R362-L365 WeakPolarHBondContact O-CA 3.34Å; R362-L365 VanDerWaalsContact O-CB 3.32Å; R362-L365 WeakPolarHBondContact O-CB 3.42Å; R362-L365 PolarHBondContact O-N 3.11Å; R362-D366 PolarHBondContact O-N 3.25Å
363G86.6Confident90Very high43 Ų4364.8 Ų64.844%0.44335%0.351SS..Hα-helixtrans-60-24.5176.300000115F361 Q367F361-G363 VanDerWaalsContact C-N 3.34Å; F361-G363 PolarHBondContact O-N 2.9Å; G363-Q367 WeakPolarHBondContact O-CB 3.29Å; G363-Q367 PolarHBondContact O-N 3.48Å
364L90.7Very high89.9Confident42 Ų4265.5 Ų65.522%0.2235%0.354CS..Hα-helixtrans-78.6-33.8173.6-169.161.6000111.9V360 F361 R362 D366 Q367 W368V360-L364 HydrophobicContact CG1-CB 3.9Å; V360-L364 HydrophobicContact CG1-CD2 4.03Å; V360-L364 HydrophobicContact CG1-CG 4.23Å; F361-L364 HydrophobicContact CD1-CB 4.08Å; F361-L364 HydrophobicContact CD2-CB 4.33Å; F361-L364 HydrophobicContact CE1-CB 3.76Å; F361-L364 HydrophobicContact CE1-CD2 4.2Å; F361-L364 HydrophobicContact CE1-CG 4.46Å; F361-L364 HydrophobicContact CE2-CB 4.02Å; F361-L364 HydrophobicContact CG-CB 4.35Å; F361-L364 HydrophobicContact CZ-CB 3.73Å; F361-L364 WeakPolarHBondContact O-CB 3.43Å; F361-L364 PolarHBondContact O-N 3.44Å; R362-L364 PolarHBondContact O-N 2.94Å; R362-L364 VanDerWaalsContact O-N 3.14Å; L364-D366 VanDerWaalsContact C-N 3.34Å; L364-Q367 PolarHBondContact O-N 2.8Å; L364-W368 HydrophobicContact CD2-CH2 4.29Å; L364-W368 HydrophobicContact CD2-CZ2 3.66Å; L364-W368 HydrophobicContact CG-CD2 4.29Å; L364-W368 HydrophobicContact CG-CZ2 3.88Å; L364-W368 WeakPolarHBondContact O-CB 3.37Å; L364-W368 PolarHBondContact O-N 3.42Å
365L92.1Very high89.6Confident1 Ų170 Ų701%0.00538%0.377CS..Hα-helixtrans-62.3-43.5170.2-75.9151.7000110.6A341 L345 V354 A355 V360 R362 W368 R369A341-L365 HydrophobicContact CB-CD2 3.6Å; L345-L365 HydrophobicContact CD1-CD2 4.1Å; V354-L365 HydrophobicContact CB-CD2 4.44Å; V354-L365 HydrophobicContact CG1-CD2 3.67Å; A355-L365 HydrophobicContact CB-CD1 3.7Å; V360-L365 HydrophobicContact CG1-CD1 4.27Å; V360-L365 HydrophobicContact CG1-CG 3.96Å; R362-L365 WeakPolarHBondContact O-CA 3.34Å; R362-L365 VanDerWaalsContact O-CB 3.32Å; R362-L365 WeakPolarHBondContact O-CB 3.42Å; R362-L365 PolarHBondContact O-N 3.11Å; L365-W368 HydrophobicContact CD2-CE3 4.41Å; L365-W368 PolarHBondContact O-N 2.88Å; L365-R369 VanDerWaalsContact O-CB 3.26Å; L365-R369 WeakPolarHBondContact O-CB 3.24Å; L365-R369 PolarHBondContact O-N 2.92Å
366D89Confident89.4Confident67 Ų6776.6 Ų76.636%0.35840%0.399SS..Hα-helixtrans-65.2-40.3175.2-66.9-46.8000112.3R362 L364 W368 R369 A370R362-D366 PolarHBondContact O-N 3.25Å; L364-D366 VanDerWaalsContact C-N 3.34Å; D366-W368 VanDerWaalsContact C-N 3.34Å; D366-W368 PolarHBondContact O-N 3.39Å; D366-R369 PolarHBondContact O-N 2.95Å; D366-R369 IonicContact OD1-CZ 3.19Å; D366-R369 IonicContact OD1-NH1 3.26Å; D366-R369 PolarHBondContact OD1-NH1 3.3Å; D366-A370 VanDerWaalsContact O-CB 3.3Å; D366-A370 WeakPolarHBondContact O-CB 3.48Å; D366-A370 PolarHBondContact O-N 3.26Å
367Q88.8Confident89.3Confident114 Ų11475.4 Ų75.453%0.53338%0.38SS..Hα-helixtrans-64.8-36.3173.1-168-17553.900112.5G363 L364 N371G363-Q367 WeakPolarHBondContact O-CB 3.29Å; G363-Q367 PolarHBondContact O-N 3.48Å; L364-Q367 PolarHBondContact O-N 2.8Å; Q367-N371 WeakPolarHBondContact O-CB 3.24Å; Q367-N371 PolarHBondContact O-N 2.99Å; Q367-N371 PolarHBondContact O-ND2 3.28Å
368W92Very high89Confident32 Ų3272.7 Ų72.712%0.12137%0.373CS..Hα-helixtrans-69.1-41.6175.9-72.3-5.5000112.3K337 K338 A341 V360 L364 L365 D366 E372K337-W368 HydrophobicContact CB-CH2 3.9Å; K337-W368 HydrophobicContact CB-CZ3 4.38Å; K338-W368 HydrophobicContact CB-CD2 3.89Å; K338-W368 HydrophobicContact CB-CE3 3.97Å; K338-W368 HydrophobicContact CB-CG 4.41Å; K338-W368 HydrophobicContact CB-CH2 4.4Å; K338-W368 HydrophobicContact CB-CZ2 4.33Å; K338-W368 HydrophobicContact CB-CZ3 4.23Å; K338-W368 HydrophobicContact CD-CB 4.22Å; K338-W368 HydrophobicContact CD-CD2 4.4Å; K338-W368 HydrophobicContact CD-CG 3.99Å; K338-W368 HydrophobicContact CG-CB 4.06Å; K338-W368 HydrophobicContact CG-CD2 3.78Å; K338-W368 HydrophobicContact CG-CE3 4.04Å; K338-W368 HydrophobicContact CG-CG 3.8Å; A341-W368 HydrophobicContact CB-CE3 3.81Å; A341-W368 HydrophobicContact CB-CZ3 3.76Å; V360-W368 HydrophobicContact CG1-CH2 4.19Å; V360-W368 HydrophobicContact CG1-CZ3 4.13Å; V360-W368 HydrophobicContact CG2-CH2 3.98Å; V360-W368 HydrophobicContact CG2-CZ3 4.19Å; L364-W368 HydrophobicContact CD2-CH2 4.29Å; L364-W368 HydrophobicContact CD2-CZ2 3.66Å; L364-W368 HydrophobicContact CG-CD2 4.29Å; L364-W368 HydrophobicContact CG-CZ2 3.88Å; L364-W368 WeakPolarHBondContact O-CB 3.37Å; L364-W368 PolarHBondContact O-N 3.42Å; L365-W368 HydrophobicContact CD2-CE3 4.41Å; L365-W368 PolarHBondContact O-N 2.88Å; D366-W368 VanDerWaalsContact C-N 3.34Å; D366-W368 PolarHBondContact O-N 3.39Å; W368-E372 VanDerWaalsContact O-CB 3.32Å; W368-E372 WeakPolarHBondContact O-CB 3.47Å; W368-E372 PolarHBondContact O-N 3.08Å
369R89.8Confident88.6Confident88 Ų8877.3 Ų77.333%0.33239%0.392SS..Hα-helixtrans-61.9-46173.2175.3-174.2-77.1152.1-13.3111.5L345 D351 L365 D366 E372 S373L345-R369 VanDerWaalsContact CD2-NH2 3.34Å; D351-R369 IonicContact OD1-CZ 3.11Å; D351-R369 IonicContact OD1-NH1 3.89Å; D351-R369 PolarHBondContact OD1-NH1 3.4Å; D351-R369 IonicContact OD1-NH2 2.7Å; D351-R369 PolarHBondContact OD1-NH2 2.96Å; D351-R369 IonicContact OD2-NH1 2.7Å; L365-R369 VanDerWaalsContact O-CB 3.26Å; L365-R369 WeakPolarHBondContact O-CB 3.24Å; L365-R369 PolarHBondContact O-N 2.92Å; D366-R369 PolarHBondContact O-N 2.95Å; D366-R369 IonicContact OD1-CZ 3.19Å; D366-R369 IonicContact OD1-NH1 3.26Å; D366-R369 PolarHBondContact OD1-NH1 3.3Å; R369-E372 PolarHBondContact O-N 3.44Å; R369-S373 PolarHBondContact O-N 2.87Å; R369-S373 PolarHBondContact O-OG 2.97Å
370A89.4Confident88.3Confident51 Ų5182.8 Ų82.842%0.42139%0.394SS..Hα-helixtrans-60.1-53.4175.900000111.8D366 E372 S373 E374D366-A370 VanDerWaalsContact O-CB 3.3Å; D366-A370 WeakPolarHBondContact O-CB 3.48Å; D366-A370 PolarHBondContact O-N 3.26Å; A370-E372 VanDerWaalsContact C-N 3.27Å; A370-E372 PolarHBondContact O-N 2.83Å; A370-S373 PolarHBondContact O-N 2.83Å; A370-S373 VanDerWaalsContact O-N 3.12Å; A370-S373 PolarHBondContact O-OG 2.96Å; A370-E374 PolarHBondContact O-N 3.13Å
371N90.3Very high88.2Confident78 Ų7889.3 Ų89.342%0.41742%0.417SS..Hα-helixtrans-57.8-38176.7-83.1-66.1000112.8Q367 L375Q367-N371 WeakPolarHBondContact O-CB 3.24Å; Q367-N371 PolarHBondContact O-N 2.99Å; Q367-N371 PolarHBondContact O-ND2 3.28Å; N371-L375 WeakPolarHBondContact O-CB 3.11Å; N371-L375 PolarHBondContact O-N 3.07Å
372E89.4Confident87.8Confident39 Ų3988.1 Ų88.118%0.18242%0.416CS..Hα-helixtrans-65-43.7176-174.762-158.800111.9K338 L342 W368 R369 A370 L375 R376K338-E372 IonicContact NZ-OE2 2.68Å; K338-E372 PolarHBondContact NZ-OE2 3.11Å; L342-E372 HydrophobicContact CD1-CB 3.98Å; L342-E372 HydrophobicContact CD1-CG 3.76Å; L342-E372 HydrophobicContact CD2-CB 4.29Å; L342-E372 HydrophobicContact CD2-CG 4.34Å; W368-E372 VanDerWaalsContact O-CB 3.32Å; W368-E372 WeakPolarHBondContact O-CB 3.47Å; W368-E372 PolarHBondContact O-N 3.08Å; R369-E372 PolarHBondContact O-N 3.44Å; A370-E372 VanDerWaalsContact C-N 3.27Å; A370-E372 PolarHBondContact O-N 2.83Å; E372-L375 PolarHBondContact O-N 3Å; E372-R376 WeakPolarHBondContact O-CG 3.36Å; E372-R376 PolarHBondContact O-N 3.06Å; E372-R376 IonicContact OE1-CZ 2.77Å; E372-R376 VanDerWaalsContact OE1-CZ 3.26Å; E372-R376 IonicContact OE1-NE 2.69Å; E372-R376 PolarHBondContact OE1-NE 3.14Å; E372-R376 IonicContact OE1-NH2 3.34Å; E372-R376 PolarHBondContact OE1-NH2 3.46Å
373S88Confident87.2Confident72 Ų7286.3 Ų86.350%0.50342%0.417SS..Hα-helixtrans-66.3-37.6176.569.70000112.8R369 A370 R376 E377R369-S373 PolarHBondContact O-N 2.87Å; R369-S373 PolarHBondContact O-OG 2.97Å; A370-S373 PolarHBondContact O-N 2.83Å; A370-S373 VanDerWaalsContact O-N 3.12Å; A370-S373 PolarHBondContact O-OG 2.96Å; S373-R376 PolarHBondContact O-N 2.87Å; S373-E377 WeakPolarHBondContact O-CB 3.45Å; S373-E377 PolarHBondContact O-N 2.96Å
374E90.3Very high86.7Confident96 Ų9686.9 Ų86.945%0.44942%0.418SS..Hα-helixtrans-66.3-39.9175.1-163.8-158.513900111.7A370 E377 K378A370-E374 PolarHBondContact O-N 3.13Å; E374-E377 PolarHBondContact O-N 3Å; E374-K378 WeakPolarHBondContact O-CB 3.43Å; E374-K378 WeakPolarHBondContact O-CG 3.35Å; E374-K378 PolarHBondContact O-N 2.84Å; E374-K378 WeakPolarHBondContact OE1-CE 3.26Å; E374-K378 IonicContact OE1-NZ 2.89Å; E374-K378 PolarHBondContact OE1-NZ 3.02Å
375L87.7Confident85.1Confident93 Ų9391.1 Ų91.149%0.48744%0.44SS..Hα-helixtrans-65.2-43.7177.1-157.774.3000111.1N371 E372 E377 K378 F379N371-L375 WeakPolarHBondContact O-CB 3.11Å; N371-L375 PolarHBondContact O-N 3.07Å; E372-L375 PolarHBondContact O-N 3Å; L375-E377 VanDerWaalsContact C-N 3.35Å; L375-K378 PolarHBondContact O-N 3.38Å; L375-F379 HydrophobicContact CG-CD2 4.48Å; L375-F379 HydrophobicContact CG-CE2 4.48Å; L375-F379 WeakPolarHBondContact O-CD2 3.29Å; L375-F379 PolarHBondContact O-N 2.87Å
376R87.9Confident83.3Confident158 Ų15896.2 Ų96.260%0.59647%0.471SS*.Hα-helixtrans-63.4-39.3174.9-71.6174.2-172.8-118.7-5.2112.2E372 S373 F379 R380E372-R376 WeakPolarHBondContact O-CG 3.36Å; E372-R376 PolarHBondContact O-N 3.06Å; E372-R376 IonicContact OE1-CZ 2.77Å; E372-R376 VanDerWaalsContact OE1-CZ 3.26Å; E372-R376 IonicContact OE1-NE 2.69Å; E372-R376 PolarHBondContact OE1-NE 3.14Å; E372-R376 IonicContact OE1-NH2 3.34Å; E372-R376 PolarHBondContact OE1-NH2 3.46Å; S373-R376 PolarHBondContact O-N 2.87Å; R376-F379 PolarHBondContact O-N 3.48Å; R376-R380 WeakPolarHBondContact O-CB 3.45Å; R376-R380 PolarHBondContact O-N 3.41Å
377E87.3Confident81.4Confident51 Ų5199.5 Ų99.524%0.23849%0.489CS..Hα-helixtrans-66-40.3174.9177.659.2-168.300112.3S373 E374 L375 R380 R381S373-E377 WeakPolarHBondContact O-CB 3.45Å; S373-E377 PolarHBondContact O-N 2.96Å; E374-E377 PolarHBondContact O-N 3Å; L375-E377 VanDerWaalsContact C-N 3.35Å; E377-R380 WeakPolarHBondContact O-CB 3.32Å; E377-R380 PolarHBondContact O-N 3.23Å; E377-R380 IonicContact OE2-CZ 3.8Å; E377-R380 IonicContact OE2-NE 2.62Å; E377-R380 PolarHBondContact OE2-NE 2.62Å; E377-R380 IonicContact OE2-NH2 2.72Å; E377-R380 PolarHBondContact OE2-NH2 3.17Å; E377-R381 WeakPolarHBondContact O-CG 3.5Å; E377-R381 PolarHBondContact O-N 3.27Å; E377-R381 IonicContact OE1-CZ 2.92Å; E377-R381 IonicContact OE1-NE 3.74Å; E377-R381 PolarHBondContact OE1-NE 2.92Å; E377-R381 IonicContact OE1-NH2 2.71Å; E377-R381 PolarHBondContact OE1-NH2 3Å
378K85.8Confident79.1Confident110 Ų11098 Ų9848%0.47849%0.491SS..Hα-helixtrans-61.1-43.6172.3-79.8169.6166.5170.20112.1E374 L375 R381 L382E374-K378 WeakPolarHBondContact O-CB 3.43Å; E374-K378 WeakPolarHBondContact O-CG 3.35Å; E374-K378 PolarHBondContact O-N 2.84Å; E374-K378 WeakPolarHBondContact OE1-CE 3.26Å; E374-K378 IonicContact OE1-NZ 2.89Å; E374-K378 PolarHBondContact OE1-NZ 3.02Å; L375-K378 PolarHBondContact O-N 3.38Å; K378-R381 PolarHBondContact O-N 3.36Å; K378-L382 WeakPolarHBondContact O-CD1 3.44Å; K378-L382 PolarHBondContact O-N 3.02Å
379F82Confident76.5Confident130 Ų130102.6 Ų102.657%0.5752%0.522SS*.Hα-helixtrans-62.3-41171.9-91-75.3000112.6L375 R376 R381 L382 N383L375-F379 HydrophobicContact CG-CD2 4.48Å; L375-F379 HydrophobicContact CG-CE2 4.48Å; L375-F379 WeakPolarHBondContact O-CD2 3.29Å; L375-F379 PolarHBondContact O-N 2.87Å; R376-F379 PolarHBondContact O-N 3.48Å; F379-R381 VanDerWaalsContact C-N 3.3Å; F379-R381 PolarHBondContact O-N 3.22Å; F379-L382 PolarHBondContact O-N 3.31Å; F379-N383 PolarHBondContact O-N 3.24Å
380R83.3Confident74.1Confident174 Ų174103.6 Ų103.666%0.65754%0.541SS*.Hα-helixtrans-58.9-41.8175.9-145.8-155.3-41.7-114.76.5111.6R376 E377 N383 A384R376-R380 WeakPolarHBondContact O-CB 3.45Å; R376-R380 PolarHBondContact O-N 3.41Å; E377-R380 WeakPolarHBondContact O-CB 3.32Å; E377-R380 PolarHBondContact O-N 3.23Å; E377-R380 IonicContact OE2-CZ 3.8Å; E377-R380 IonicContact OE2-NE 2.62Å; E377-R380 PolarHBondContact OE2-NE 2.62Å; E377-R380 IonicContact OE2-NH2 2.72Å; E377-R380 PolarHBondContact OE2-NH2 3.17Å; R380-N383 PolarHBondContact O-N 3.2Å; R380-A384 WeakPolarHBondContact O-CB 3.5Å; R380-A384 PolarHBondContact O-N 2.96Å
381R85.9Confident71.3Confident154 Ų154106.7 Ų106.758%0.58156%0.559SS**Hα-helixtrans-69-42.2178.3-69.7175.1-168.6-167.43.3113E377 K378 F379 N383 A384 N385E377-R381 WeakPolarHBondContact O-CG 3.5Å; E377-R381 PolarHBondContact O-N 3.27Å; E377-R381 IonicContact OE1-CZ 2.92Å; E377-R381 IonicContact OE1-NE 3.74Å; E377-R381 PolarHBondContact OE1-NE 2.92Å; E377-R381 IonicContact OE1-NH2 2.71Å; E377-R381 PolarHBondContact OE1-NH2 3Å; K378-R381 PolarHBondContact O-N 3.36Å; F379-R381 VanDerWaalsContact C-N 3.3Å; F379-R381 PolarHBondContact O-N 3.22Å; R381-N383 VanDerWaalsContact C-N 3.31Å; R381-N383 PolarHBondContact O-N 3.02Å; R381-A384 PolarHBondContact O-N 2.87Å; R381-N385 PolarHBondContact O-N 3.34Å; R381-N385 VanDerWaalsContact O-N 3.16Å
382L80.3Confident68.8Low119 Ų119108.9 Ų108.962%0.62358%0.575SS**Hα-helixtrans-58.2-45.2173.1-99.676.8000111.3K378 F379 A384K378-L382 WeakPolarHBondContact O-CD1 3.44Å; K378-L382 PolarHBondContact O-N 3.02Å; F379-L382 PolarHBondContact O-N 3.31Å; L382-A384 VanDerWaalsContact C-N 3.34Å; L382-A384 PolarHBondContact O-N 3.17Å
383N75.6Confident66.3Low101 Ų101115.5 Ų115.554%0.5461%0.606SS.*Hα-helixtrans-77.8-15.8-178.8-67.8-6.7000114.1F379 R380 R381 T386 N387F379-N383 PolarHBondContact O-N 3.24Å; R380-N383 PolarHBondContact O-N 3.2Å; R381-N383 VanDerWaalsContact C-N 3.31Å; R381-N383 PolarHBondContact O-N 3.02Å; N383-T386 PolarHBondContact O-OG1 2.96Å; N383-T386 VanDerWaalsContact O-OG1 3.12Å; N383-N387 PolarHBondContact O-ND2 3.28Å
384A75.6Confident63.9Low55 Ų55120 Ų12046%0.45562%0.623SS.*Hα-helixtrans-77.1-46.6171.600000111.3R380 R381 L382 T386 N387R380-A384 WeakPolarHBondContact O-CB 3.5Å; R380-A384 PolarHBondContact O-N 2.96Å; R381-A384 PolarHBondContact O-N 2.87Å; L382-A384 VanDerWaalsContact C-N 3.34Å; L382-A384 PolarHBondContact O-N 3.17Å; A384-T386 PolarHBondContact O-N 2.89Å; A384-T386 VanDerWaalsContact O-N 3.14Å; A384-N387 PolarHBondContact O-N 2.91Å
385N57.2Low61.3Low130 Ų130120 Ų12070%0.69563%0.633SS**Hα-helixtrans-63.4-20-178.6-80.216000113.9R381 N387R381-N385 PolarHBondContact O-N 3.34Å; R381-N385 VanDerWaalsContact O-N 3.16Å; N385-N387 VanDerWaalsContact C-N 3.31Å
386T54.9Low58.6Low108 Ų108120.8 Ų120.866%0.66365%0.647SS**THydrogen-bonded Turntrans-81.7-5175.451.10000114.3N383 A384N383-T386 PolarHBondContact O-OG1 2.96Å; N383-T386 VanDerWaalsContact O-OG1 3.12Å; A384-T386 PolarHBondContact O-N 2.89Å; A384-T386 VanDerWaalsContact O-N 3.14Å
387N48.7Very low56Low137 Ų137120.8 Ų120.873%0.73366%0.658SS**SBendtrans-120.22.4-176.2-71.5-76.3000114.4N383 A384 N385N383-N387 PolarHBondContact O-ND2 3.28Å; A384-N387 PolarHBondContact O-N 2.91Å; N385-N387 VanDerWaalsContact C-N 3.31Å
388S40.3Very low53.5Low81 Ų81124.8 Ų124.857%0.56668%0.681SS**  trans-108.786.1-179.861.30000112.4P390S388-P390 WeakPolarHBondContact O-CD 3.43Å
389V36.7Very low51.3Low129 Ų129126.8 Ų126.878%0.78269%0.692SS**  trans-72.6122.8161.6177.30000108.1S391V389-S391 PolarHBondContact O-N 3.19Å
390P39.7Very low49.1Very low110 Ų110128.5 Ų128.571%0.71470%0.701SS**  trans-75.794.9179.130.1-33.6000110.8S388 T392S388-P390 WeakPolarHBondContact O-CD 3.43Å; P390-T392 VanDerWaalsContact C-N 3.28Å; P390-T392 PolarHBondContact O-N 2.88Å
391S31.6Very low46.9Very low116 Ų116124.8 Ų124.881%0.81170%0.702SS**  trans-71.480170.2-68.30000111.4V389V389-S391 PolarHBondContact O-N 3.19Å
392T37.7Very low44.6Very low124 Ų124123.2 Ų123.276%0.76170%0.701SS**  trans-91.3121.8169.2-54.30000109.7P390P390-T392 VanDerWaalsContact C-N 3.28Å; P390-T392 PolarHBondContact O-N 2.88Å
393Q36.3Very low42.5Very low177 Ų177123.5 Ų123.583%0.82771%0.708SS**  trans-72.3134.2179.7-63.3171.3-18.800111.4
394I38.1Very low40.7Very low167 Ų167127.5 Ų127.586%0.85672%0.717SS**  trans-130.1132.1151.8-61.3-176.7000107.2
395S35.3Very low38.9Very low95 Ų95129.7 Ų129.766%0.66472%0.72SS**  trans-97.6141-163.2-53.20000113.7
396S30.6Very low38.2Very low110 Ų110131.6 Ų131.677%0.76972%0.723SS**  trans44116.7141.3620000120.3
397L33.7Very low37.4Very low158 Ų158131.4 Ų131.483%0.82773%0.726SS**  trans-146.3112.3141.6-15761.3000111.6
398N34.3Very low37Very low135 Ų135131 Ų13172%0.72273%0.728SS**  trans26141.2144.9-66.8-29.6000120.1
399Q39.6Very low36.9Very low153 Ų153133 Ų13372%0.71573%0.733SS**  cis-169.9176.915.7-127.4-175.1100.900107.8
400H35Very low37Very low166 Ų166133.1 Ų133.177%0.76973%0.733SS**  cis-158.4-168.5-3.2-164.411.4000108.9Q402H400-Q402 PolarHBondContact CE1-NE2 2.57Å
401S37.6Very low36.9Very low96 Ų96136.7 Ų136.767%0.67173%0.732SS**  trans71.5103.4173.7-156.50000114.3
402Q37.7Very low37.3Very low121 Ų121137 Ų13757%0.56572%0.72SS**  57.4126.367.2-53.8-163.661.200112H400H400-Q402 PolarHBondContact CE1-NE2 2.57Å
403V36.5Very low37.4Very low125 Ų125138.2 Ų138.276%0.75872%0.718SS**  cis-145.8145.648.6154.30000113.6
404Y38.4Very low37.4Very low185 Ų185137 Ų13773%0.72572%0.717SS**  trans8.6154.7151.4-63.8-96.1000122
405D37.8Very low37.6Very low100 Ų100133.9 Ų133.954%0.53571%0.707SS.*  cis-159.4169.214.6-143.3-22.4000114.1
406K41.5Very low37.8Very low171 Ų171135.3 Ų135.374%0.74371%0.712SS**  trans33.9155.7151.5-77.2147.3-159.4151.70122.5
407S39.2Very low38.2Very low104 Ų104136.1 Ų136.173%0.72771%0.713SS**  cis174.2157.8-1967.90000107.1
408V39.8Very low38.3Very low129 Ų129133.4 Ų133.478%0.78271%0.707SS**  cis-158.3-177.4393.30000111.4
409N38.1Very low38.5Very low123 Ų123133 Ų13366%0.65871%0.71SS**  trans-54.8179.1165.4-69.5-79.7000114.8
410V38.5Very low38.5Very low130 Ų130129.5 Ų129.579%0.78871%0.707SS**  cis-162.7141.246.9166.80000107.5
411R37.5Very low38.7Very low186 Ų186128.4 Ų128.470%0.70271%0.707SS**  cis101130.518.3-164.1-164.2-174.2-138.79.2114
412H40.7Very low38.8Very low122 Ų122130.4 Ų130.457%0.56571%0.71SS**  trans78.9155.9178.4-61.9-78.2000117.7
413Q39.9Very low38.9Very low150 Ų150130.4 Ų130.470%0.70172%0.718SS**  cis-170.4147.1-41-136.3169.60.900111.6
414N36.8Very low39.1Very low151 Ų151131.2 Ų131.281%0.80772%0.723SS**  trans65.4164.3154.4-84.819.9000120.7
415P42.3Very low39.1Very low102 Ų102126 Ų12666%0.66273%0.726SS**  trans-124170.2-15243.2-31.5000115.5
416T39.4Very low39Very low125 Ų125126.7 Ų126.777%0.76774%0.738SS**  177.6151.3121.232.30000113.2
417T38.5Very low38.9Very low126 Ų126127 Ų12777%0.77374%0.742SS**  trans48.7112.4149.355.50000122.4
418S36.2Very low38.8Very low102 Ų102132.7 Ų132.771%0.71375%0.747SS**  91135.4121.4-158.90000122
419T38.7Very low38.6Very low127 Ų127131.3 Ų131.378%0.77974%0.744SS**  trans72.8134.6149.819.70000121.8
420A38.9Very low38.4Very low79 Ų79132 Ų13265%0.65375%0.753SS**  trans67.392.5144.200000119.7
421N38.5Very low38.1Very low143 Ų143130.1 Ų130.177%0.76575%0.745SS**  64.5137.3111.5-74.136.4000123.2
422D39.6Very low38Very low138 Ų138128.8 Ų128.874%0.73875%0.75SS**  trans93.9128.1133.8-78.5-41.5000123.1
423V40.5Very low37.8Very low120 Ų120130.2 Ų130.273%0.72776%0.762SS**  trans83.999.1140.1171.90000120.7
424V40.3Very low38Very low143 Ų143129.3 Ų129.387%0.86777%0.769SS**  trans71121.6132.4178.40000120.8
425G38Very low38Very low76 Ų76125.1 Ų125.178%0.78476%0.762SS**  trans-176.9130.1157.900000109.9
426S37.3Very low37.7Very low113 Ų113127.9 Ų127.979%0.7977%0.771SS**  trans-147.6158.3-169.4-170.80000114.3
427Q39.3Very low37.6Very low178 Ų178127.2 Ų127.283%0.83277%0.767SS**  trans71.3141.2178.2-40.7-172.613.400114
428R35.7Very low37.6Very low223 Ų223129 Ų12984%0.84277%0.77SS**  cis-173.4117.438.7-174.4180-170.4-151.43112.3
429S35.7Very low37.7Very low101 Ų101129.1 Ų129.171%0.70677%0.771SS**  trans36.6148.9141.3-43.60000125
430T33.9Very low38Very low138 Ų138128.9 Ų128.985%0.84777%0.772SS**  trans73146.5159.359.50000119.3
431S31.8Very low38.1Very low90 Ų90132.2 Ų132.263%0.62977%0.773SS**  cis-171.8-178.1-19.455.80000111.6
432I36Very low38.3Very low157 Ų157133.6 Ų133.681%0.80577%0.773SS**  trans83.6129.3156.3-66.7161.6000119.4
433N37.4Very low38.2Very low153 Ų153138 Ų13882%0.81878%0.779SS**  trans-94.3162.8163.5-85.9-31.4000110.8
434P43.3Very low38.3Very low131 Ų131136.5 Ų136.585%0.85178%0.779SS**  trans-125157.6141.936.6-27.1000113.3
435G36.6Very low38.3Very low63 Ų63137.9 Ų137.965%0.64977%0.773SS**  trans-135-139.2172.400000110.9
436N37.3Very low38.4Very low159 Ų159140.3 Ų140.385%0.8577%0.767SS**  trans77.3149.7176.9-59.1-10.4000116
437T35.6Very low38.7Very low112 Ų112141 Ų14169%0.68776%0.762SS**  cis-166.3170-23.328.20000107.7
438I39.4Very low38.9Very low162 Ų162138.8 Ų138.883%0.83176%0.76SS**  177.7147.8121-90.7157.3000110.3
439S38.3Very low39.4Very low105 Ų105133.2 Ų133.273%0.73475%0.753SS**  trans-143.8158.2-175.8-47.70000113.1
440P44.3Very low39.4Very low123 Ų123135.1 Ų135.180%0.79976%0.755SS**  trans-135.3154.1149.330.5-13.3000113.7
441H41Very low39.4Very low149 Ų149134.4 Ų134.469%0.6975%0.751SS**  cis-174.4152.2-21.2-152.938.6000110.5
442K44.1Very low40Very low172 Ų172135.3 Ų135.375%0.74876%0.755SS**  trans68.8144.4157.1-77.1166.1-178163.10119
443R37.9Very low39.9Very low231 Ų231132.5 Ų132.587%0.87275%0.749SS**  cis-168.2152.9-8-167-173.6-173.7177.71.9111.7
444A41.9Very low39.9Very low87 Ų87130.3 Ų130.372%0.71975%0.746SS**  trans72.7146.615100000120.1
445K40Very low39.7Very low173 Ų173130.2 Ų130.275%0.75274%0.743SS**  cis-169133.1-18.3-152-161.4-178.6-1410111.3
446L39.7Very low39.8Very low126 Ų126133.7 Ų133.766%0.6675%0.747SS**  trans50.4161.8146.2-89.852.9000120.7
447D43.6Very low39.9Very low129 Ų129136 Ų13669%0.6975%0.752SS**  cis-150.5152.310.7-113.3-41.6000112.2
448V44.4Very low39.8Very low130 Ų130138.7 Ų138.779%0.78876%0.757SS**  trans-153.5131.9163.9178.70000111.2
449P45Very low39.8Very low107 Ų107139.4 Ų139.470%0.69576%0.759SS**  trans-128.2125.6157.625.5-6.5000112.5
450N36.2Very low39.6Very low140 Ų140141 Ų14175%0.74976%0.76SS**  90.4111.278.8-72.1-14.7000116.2
451T35Very low39Very low123 Ų123142.8 Ų142.876%0.75576%0.762SS**  4.5164.4129.961.40000120.6
452P42.8Very low38.7Very low109 Ų109141.3 Ų141.371%0.70876%0.763SS**  cis-153.6-176.527.842.2-19.5000120.6
453S34.9Very low38.4Very low99 Ų99143.3 Ų143.369%0.69277%0.767SS**  trans83.7145.8136.865.30000125.4
454S37.8Very low38.2Very low106 Ų106136.6 Ų136.674%0.74176%0.756SS**  trans77.3144.9157.2-54.20000118.4
455T39.3Very low37.8Very low130 Ų130138.1 Ų138.180%0.79876%0.756SS**  cis-153.51774-7.30000112.3
456D36.8Very low37.9Very low135 Ų135135.4 Ų135.472%0.72276%0.759SS**  trans-66.2156.9-170.3-42.7-85.4000118.2
457Q39.3Very low37.8Very low207 Ų207136 Ų13697%0.96776%0.763SS**  -169.4173.4111.4-104.9159.890.400115.4
458Q33.7Very low37.6Very low170 Ų170139.5 Ų139.579%0.79477%0.772SS**  trans-119.9158.7-155.4168.1-174.5-1000113.4
459M41.1Very low37.1Very low176 Ų176139.7 Ų139.787%0.86777%0.774SS**  trans139.2143.2153.2-80.1-178-151.700111.3
460D33.5Very low36.7Very low140 Ų140141 Ų14175%0.74978%0.779SS**  cis-159.2161.5-26.3-157.8-9000108.5
461L30.9Very low36.7Very low160 Ų160139.1 Ų139.184%0.83878%0.777SS**  trans-149.2120.1-171.1-98.7173.9000115.4
462T34.2Very low36.5Very low118 Ų118145.2 Ų145.272%0.72479%0.786SS**  trans-150134.3163.554.60000109.5
463Y37.6Very low36.1Very low213 Ų213146 Ų14684%0.83580%0.795SS**  -170.4166.473.7-121.6-87.5000113.7
464S35.6Very low35.9Very low90 Ų90146.3 Ų146.363%0.62980%0.797SS**  trans-34.3153.3-177.6-44.60000119.9
465T33.4Very low35.9Very low119 Ų119148.3 Ų148.373%0.7380%0.804SS**  cis86.2114.418.7-47.50000117.6
466S41.4Very low35.5Very low116 Ų116149.3 Ų149.381%0.81180%0.804SS**  trans-175.5127.714432.80000108.1
467D37.1Very low35.6Very low139 Ų139151.6 Ų151.674%0.74381%0.81SS**  cis83.7104.643.4-80.4-32.5000115.7
468K40.6Very low35.3Very low203 Ų203145.7 Ų145.788%0.88379%0.792SS**  -174160.3106-98.6158.4-171.2172.60114.4
469T33.4Very low35.2Very low133 Ų133147.1 Ų147.182%0.81680%0.796SS**  trans-110.4171.1178.8540000111.1
470V37.2Very low35.1Very low135 Ų135143.9 Ų143.982%0.81879%0.787SS**  trans174.1139.2130.1150.10000114
471S34.6Very low35Very low101 Ų101144.3 Ų144.371%0.70679%0.79SS**  trans-3.9137.3163-51.70000124.9
472R31Very low35.4Very low250 Ų250144.3 Ų144.394%0.94379%0.785SS**  15128.8127.7-72.6172.8151.3178.3-8.1119.3
473S35.4Very low35.5Very low127 Ų127144.3 Ų144.389%0.88878%0.781SS**  -161.6172117.4-158.70000111.7
474S30.5Very low35.5Very low104 Ų104140.1 Ų140.173%0.72777%0.773SS**  trans-127.8144.8-179.455.90000111.1
475V36.9Very low35.7Very low148 Ų148142.3 Ų142.390%0.89778%0.778SS**  trans-162.8158.3153.4126.50000110.5
476L31.2Very low35.9Very low151 Ų151143 Ų14379%0.79178%0.777SS**  trans-89.5158.3-177-66.9153.6000112.6
477H38.4Very low36Very low183 Ų183145.6 Ų145.685%0.84778%0.776SS**  trans164.3155.6140.7-84.8-51.9000110.7
478S33.2Very low36Very low84 Ų84145.1 Ų145.159%0.58777%0.774SS**  cis-177.595-36.1-94.70000110.8
479F31.7Very low35.7Very low200 Ų200142.3 Ų142.388%0.87777%0.768SS**  trans57.9-177.6153.5-65.6-70000118.7
480P40.1Very low35.7Very low107 Ų107144.8 Ų144.870%0.69577%0.77SS**  cis-131.2169.4-5.842.1-26.4000117.6
481N31.7Very low35.4Very low149 Ų149144 Ų14480%0.79777%0.766SS**  trans42.9140.4144.4-65.92.1000121.8
482Q38.7Very low35.1Very low160 Ų160146.2 Ų146.275%0.74877%0.77SS**  -161.1146.266.7-95.3-169.929.100116.5
483N36Very low35.1Very low118 Ų118139 Ų13963%0.63176%0.764SS**  trans76123141.4-56.1-1.6000122.9
484N37.3Very low35Very low126 Ų126140 Ų14067%0.67476%0.757SS**  trans70.8141.7131.8-66.250.5000120.2
485D40.4Very low34.9Very low136 Ų136140.1 Ų140.173%0.72776%0.758SS**  cis-151175.7-5.3-92.9-28.3000111.7
486D37.7Very low34.6Very low133 Ų133138.4 Ų138.471%0.71175%0.751SS**  trans-61147.8-168.4-63.7-69.1000118.9
487H43.7Very low34.7Very low171 Ų171136.6 Ų136.679%0.79275%0.748SS**  178122.3100.8-91.5-26.6000116.6
488N37.3Very low34.3Very low129 Ų129135.2 Ų135.269%0.6975%0.746SS**  trans12.8130.5148.4-74.8-49.2000123.3
489N32.9Very low34.2Very low144 Ų144138.7 Ų138.777%0.7775%0.752SS**  50.6143.8127.4-57.3-34.9000120.9
490Q33.6Very low34Very low184 Ų184134.4 Ų134.486%0.8674%0.739SS**  cis-151.5153.124.8-158.1167.129.100112.3
491T30.1Very low33.5Very low118 Ų118135.5 Ų135.572%0.72474%0.739SS**  trans-78.2147.1-178.152.30000114.2
492N30.1Very low33.4Very low148 Ų148132.8 Ų132.879%0.79172%0.724SS**  trans-168.6103.5131.8-98-26.2000112.1
493A29.9Very low33Very low98 Ų98133.3 Ų133.381%0.8173%0.726SS**  trans-101.7120.9164.500000108.8
494I32.4Very low32.6Very low148 Ų148134 Ų13476%0.75973%0.734SS**  trans-116.896.3-179.9-58.1179.4000109.1
495S29.1Very low32.3Very low107 Ų107134.4 Ų134.475%0.74874%0.736SS**PPolyproline II helixtrans-78.1124.2168.9-57.70000110
496P31.8Very low31.7Very low113 Ų113135.8 Ų135.873%0.73474%0.743SS**PPolyproline II helixtrans-68.7133.5170.2-16.330.8000110.4L498P496-L498 PolarHBondContact O-N 2.78Å
497P31.8Very low31.4Very low113 Ų113134.7 Ų134.773%0.73474%0.741SS**PPolyproline II helixtrans-71.6129.7176.228.7-33.5000111H499P497-H499 PolarHBondContact O-N 2.87Å
498L30.2Very low30.7Very low154 Ų154137 Ų13781%0.80675%0.745SS**  trans-73.1107.1170.7-70.6174000109.7P496 D500P496-L498 PolarHBondContact O-N 2.78Å; L498-D500 PolarHBondContact O-N 2.9Å
499H31Very low30.2Very low156 Ų156136.5 Ų136.572%0.72275%0.751SS**  trans-79.2105.1170-108.6-77.7000110.4P497 N501P497-H499 PolarHBondContact O-N 2.87Å; H499-N501 PolarHBondContact ND1-ND2 3.49Å; H499-N501 PolarHBondContact O-N 2.8Å
500D28.5Very low30Very low110 Ų110141.4 Ų141.459%0.58876%0.759SS**  trans-67.3101.2164-98.4-59000109L498 R713L498-D500 PolarHBondContact O-N 2.9Å; D500-R713 IonicContact OD1-CZ 2.65Å; D500-R713 IonicContact OD1-NH1 3.39Å; D500-R713 PolarHBondContact OD1-NH1 3.35Å; D500-R713 IonicContact OD1-NH2 2.6Å; D500-R713 PolarHBondContact OD1-NH2 2.84Å
501N28.8Very low29.8Very low131 Ų131137.2 Ų137.270%0.70175%0.75SS**  trans-131.464.5173.3-91.5-45.9000109.5H499H499-N501 PolarHBondContact ND1-ND2 3.49Å; H499-N501 PolarHBondContact O-N 2.8Å
502L30.6Very low29.7Very low91 Ų91138.3 Ų138.348%0.47675%0.751SS.*  trans-128.921.1175.5-139.383.4000113.9
503H29.6Very low29.6Very low172 Ų172138.9 Ų138.980%0.79675%0.749SS**  trans-11388.3174.1-73.9-78000110.9
504T28.3Very low29.7Very low132 Ų132139.8 Ų139.881%0.8175%0.747SS**  trans168.8103.3151.7-74.50000107.2
505L31.5Very low29.6Very low135 Ų135139 Ų13971%0.70775%0.753SS**  trans-178.738.3146.8-102.5164.9000112.7T507L505-T507 PolarHBondContact O-N 3.49Å
506D27Very low29.5Very low165 Ų165139.4 Ų139.488%0.88275%0.751SS**  trans-75.871.4164-70.8-66.1000109.8
507T30.4Very low29.6Very low109 Ų109144.9 Ų144.967%0.66976%0.759SS**  trans-173.299.1159.7-74.40000108.5L505L505-T507 PolarHBondContact O-N 3.49Å
508Y29Very low29.5Very low221 Ų221146 Ų14687%0.86776%0.758SS**  trans-173.760.6145.5-101-61.2000110.4
509S26.9Very low29.5Very low117 Ų117146.4 Ų146.482%0.81876%0.76SS**  trans-98139.4165-81.50000110
510R29.8Very low29.6Very low248 Ų248143.9 Ų143.994%0.93677%0.766SS**  trans66.3112.4-176.9-57.7176.9167.1-164.2-4.2115.8
511S29.4Very low29.8Very low95 Ų95142.4 Ų142.466%0.66478%0.777SS**  -174.7109.799.9-169.90000111Q513S511-Q513 PolarHBondContact O-N 3.07Å
512N27.8Very low29.9Very low141 Ų141139.5 Ų139.575%0.75478%0.778SS**  trans-88.298.6163.7-81.32.1000108.2
513Q28.4Very low30.3Very low160 Ų160140.1 Ų140.175%0.74879%0.79SS**  trans-138.5130.8163-84.5-164.9-31.200110.6S511S511-Q513 PolarHBondContact O-N 3.07Å
514P31.5Very low30.7Very low117 Ų117140.4 Ų140.476%0.7679%0.792SS**  trans-73.2134.4166.431.3-32.1000109.6T516P514-T516 PolarHBondContact O-N 2.9Å
515C31.2Very low31Very low131 Ų131137.6 Ų137.689%0.88579%0.789SS**  trans-79.5105.2176.4-69.80000110.7
516T26.9Very low31.2Very low116 Ų116140 Ų14071%0.71280%0.796SS**  trans-88.8121.3166.247.50000110.7P514P514-T516 PolarHBondContact O-N 2.9Å
517Y33.8Very low31.8Very low228 Ų228136.7 Ų136.789%0.89479%0.786SS**  trans-134.4146.5161-96-84.8000110.1
518N28.3Very low32Very low137 Ų137135.8 Ų135.873%0.73379%0.79SS**  trans-122.2170.6-163.8-72.2-29.7000112.4
519I31.2Very low32.3Very low163 Ų163133 Ų13384%0.83679%0.785SS**  trans89.9122153.2-66.7142.5000119.1
520A33.1Very low32.8Very low102 Ų102135.1 Ų135.184%0.84378%0.781SS**  trans62.9152154.200000120.5
521G31.4Very low32.9Very low80 Ų80129 Ų12983%0.82577%0.772SS**  cis154.5139.8-900000114.2
522G32.5Very low33.4Very low70 Ų70129 Ų12972%0.72277%0.769SS**  trans109132.5-175.600000112.1
523S38.2Very low33.6Very low104 Ų104131.8 Ų131.873%0.72778%0.775SS**  73.3132.654.5-70.90000113
524E38Very low33.8Very low178 Ų178128.8 Ų128.883%0.83277%0.772SS**  cis-163.6158.45.6-120.5147.4-122.800112.3
525G35.2Very low33.9Very low73 Ų73131.3 Ų131.375%0.75378%0.779SS**  trans72162.4161.100000119.7
526E36Very low33.9Very low185 Ų185130.2 Ų130.286%0.86477%0.773SS**  cis-160.7167.8-22.1-165161.4121.300110.7
527S38.2Very low34.4Very low95 Ų95129.9 Ų129.966%0.66478%0.775SS**  trans-4.3138.7167.8-56.60000120.7
528A35.1Very low34.6Very low90 Ų90125.7 Ų125.774%0.74477%0.774SS**  68.1147.15800000113.3
529E36.4Very low34.9Very low164 Ų164122.6 Ų122.677%0.76677%0.773SS**  cis-153-179.227.1-55.1179.4122.800115.2
530H36Very low35.1Very low160 Ų160120.6 Ų120.674%0.74177%0.774SS**  trans81.9160.6147.1-83.3-62000125
531T32.6Very low35.1Very low120 Ų120120.9 Ų120.974%0.73677%0.77SS**  trans-155.1-166.3-15961.40000108.9
532P40.3Very low35.3Very low95 Ų95120.3 Ų120.362%0.61776%0.764SS**  cis-121.5-163.3-36.938.7-22.3000111
533F31.9Very low35.4Very low200 Ų200128.4 Ų128.488%0.87777%0.774SS**  -176.3172.6124-102.2-63.3000113.2
534S32.6Very low35.2Very low97 Ų97127.4 Ų127.468%0.67878%0.78SS**  trans-113.9170-160.6-46.10000114.4
535N33Very low34.8Very low169 Ų169122.7 Ų122.790%0.90478%0.78SS**  trans-158.1157.7148.5-108.2-29.9000112.9
536S30.9Very low34.6Very low108 Ų108124.4 Ų124.476%0.75578%0.78SS**  trans-143.4150.3-162.2-55.20000114.2
537S37.6Very low34.5Very low109 Ų109122.2 Ų122.276%0.76277%0.774SS**  trans-168.1123.8158.8-74.30000108.4
538T37.2Very low34.3Very low141 Ų141125.3 Ų125.387%0.86578%0.783SS**  64.8131.367.362.60000114.6
539G34.7Very low34Very low71 Ų71124.3 Ų124.373%0.73278%0.782SS**  cis174.7-173.3-6.800000113.9
540S35.9Very low33.8Very low122 Ų122124.4 Ų124.485%0.85379%0.787SS**  trans72.5166.9168.6-152.70000119.9
541S33.4Very low33.5Very low108 Ų108123 Ų12376%0.75579%0.789SS**  -173.1160.9-83.260.10000114.3
542G35.6Very low33.4Very low67 Ų67120.2 Ų120.269%0.69178%0.779SS**  trans93.1164.6165.300000117.7
543Y35.7Very low33Very low240 Ų240120.2 Ų120.294%0.94178%0.781SS**  cis-171.8137-27.3-122.7-67.9000109.8
544G32.2Very low33Very low83 Ų83116.1 Ų116.186%0.85678%0.777SS**  trans71.8165.7172.200000116.5
545G30.9Very low32.9Very low79 Ų79115 Ų11581%0.81478%0.78SS**  cis-176.5144.3-7.500000111
546S31.5Very low32.9Very low109 Ų109113.2 Ų113.276%0.76278%0.776SS**  trans-84.1163.7-172.1-54.90000114.8
547N33.3Very low33Very low139 Ų139113.6 Ų113.674%0.74377%0.773SS**  169.9144.9117.5-82.7-18.8000115.7
548N33.1Very low32.7Very low160 Ų160115.2 Ų115.286%0.85677%0.773SS**  trans62.5150.9154.5-53.2-15.5000120.5
549G30.1Very low32.5Very low69 Ų69114.4 Ų114.471%0.71177%0.774SS**  cis169.1131.2-14.300000117.1
550L30.7Very low32.2Very low167 Ų167116.8 Ų116.887%0.87478%0.779SS**  trans73.5149.8145.6-55.6175.2000124.8
551T30.6Very low32.2Very low129 Ų129119 Ų11979%0.79178%0.779SS**  trans77.1156.2160.673.80000120.3
552A30.1Very low32.1Very low62 Ų62120.8 Ų120.851%0.51278%0.78SS.*  cis-165.2169.6-36.100000110.3K297K297-A552 VanDerWaalsContact CD-O 3.31Å; K297-A552 WeakPolarHBondContact CD-O 3.34Å; K297-A552 VanDerWaalsContact NZ-C 3.31Å; K297-A552 PolarHBondContact NZ-O 3.4Å
553S32.2Very low32.1Very low96 Ų96123.8 Ų123.867%0.67179%0.785SS**  trans44.5149.9154.5-530000123.7K297K297-S553 PolarHBondContact NZ-O 2.85Å
554S31.4Very low32.1Very low114 Ų114119.7 Ų119.780%0.79778%0.779SS**  cis-169.9152.7-17.5-86.50000111.8
555G31.6Very low32Very low72 Ų72123.3 Ų123.374%0.74278%0.779SS**  trans88.8163.5148.900000121.2
556V32.1Very low32.2Very low133 Ų133131.2 Ų131.281%0.80679%0.785SS**  cis-161.4157-21.9-143.60000112.5
557V33.2Very low32.3Very low116 Ų116135.9 Ų135.970%0.70379%0.785SS**  trans56.6126.3156.7-740000127
558N30.8Very low32.2Very low143 Ų143136 Ų13677%0.76578%0.782SS**  50.6137.1125.1-53.30.2000125
559S32.7Very low32.1Very low124 Ų124131.3 Ų131.387%0.86777%0.77SS**  -177.8165.7104.2-76.30000113.9
560S28.9Very low32.2Very low120 Ų120135.4 Ų135.484%0.83978%0.775SS**  trans-119.7160-171.3-48.10000113.7
561I36.9Very low32.2Very low169 Ų169135.3 Ų135.387%0.86777%0.774SS**  trans-136.8152.7172.3-59.9-178.1000110.6
562N29.9Very low32.2Very low145 Ų145132.7 Ų132.778%0.77577%0.772SS**  trans-141.6147.2-174.5179.443.9000110.4
563V36.2Very low32Very low130 Ų130135.3 Ų135.379%0.78879%0.787SS**  trans-147.5149.6-178.6-174.30000112.3
564D34.9Very low31.9Very low154 Ų154137.6 Ų137.682%0.82480%0.797SS**  trans-91.5170.5-163.3-70.1-76.7000119.1
565N31.3Very low31.6Very low160 Ų160137.9 Ų137.986%0.85680%0.799SS**  trans-98.1151.4173.6-76.6-54000113.9
566R35Very low31.5Very low245 Ų245142.5 Ų142.593%0.92579%0.794SS**  trans-149.1142.1150.7-70.6-163.9174.2180-1.1112.9
567R32.4Very low31.1Very low207 Ų207142 Ų14278%0.78180%0.796SS**  trans20.1145.9151.8-67.9-175.7158.8-125.1-0.5120.5
568E32.7Very low30.7Very low142 Ų142142.8 Ų142.866%0.66479%0.791SS**  cis-171.1177.5-1.3-111.9156-7.200108
569G31.5Very low30.4Very low60 Ų60143 Ų14362%0.61979%0.792SS**  cis166179.6-0.900000112.8
570L30.3Very low30.1Very low155 Ų155141.3 Ų141.381%0.81278%0.776SS**  trans67.9119.2168.1-89.766.3000122.1
571I31.9Very low30Very low165 Ų165142.2 Ų142.285%0.84677%0.769SS**  trans70.8127.7140-55.5166.6000119.9
572G30.7Very low29.5Very low74 Ų74137 Ų13776%0.76375%0.747SS**  trans150.672.5155.900000117.5
573S25.2Very low29.5Very low117 Ų117134.4 Ų134.482%0.81874%0.736SS**  trans-86133.9176.1-57.50000113.3
574T29.9Very low29.1Very low144 Ų144133 Ų13388%0.88372%0.721SS**  trans-171.9146139.612.40000112.2
575S25.6Very low28.8Very low121 Ų121128.4 Ų128.485%0.84670%0.701SS**  trans-71146.3-178.3-49.20000113
576R28.5Very low28.9Very low169 Ų169124.9 Ų124.964%0.63868%0.679SS**  trans-140.4119.6164.2-174.8163.7-69.3113.10.1112.2F695R576-F695 VanDerWaalsContact NH1-CE1 3.33Å; R576-F695 VanDerWaalsContact NH2-CD1 3.31Å
577C23.9Very low28.7Very low123 Ų123115.1 Ų115.183%0.83165%0.648SS**  trans-66.2147.5175-47.90000111
578H25.3Very low28.7Very low132 Ų132107.6 Ų107.661%0.61162%0.623SS**  trans-122.3123178.1-161.2-119.2000110.5T580 R683H578-T580 VanDerWaalsContact CE1-CG2 3.47Å; H578-T580 WeakPolarHBondContact CE1-CG2 3.29Å; H578-R683 PolarHBondContact CE1-NH2 2.89Å; H578-R683 PolarHBondContact NE2-NH2 3.49Å
579L23.9Very low28.6Very low148 Ų148105.1 Ų105.178%0.77562%0.621SS**  trans-110.2123.1176.5-82.2162000109.3
580T27Very low28.6Very low87 Ų87105.8 Ų105.853%0.53462%0.616SS.*  trans-135.7102.8172.748.80000110.5H578H578-T580 VanDerWaalsContact CE1-CG2 3.47Å; H578-T580 WeakPolarHBondContact CE1-CG2 3.29Å
581M27.6Very low28.7Very low140 Ų140105.8 Ų105.869%0.6961%0.606SS**  trans-85.5146.5170.9-68.1-73.7100.100110.6V840M581-V840 WeakPolarHBondContact CE-O 3.42Å
582S25.9Very low28.7Very low60 Ų60103.7 Ų103.742%0.4260%0.595SS.*  trans-115.9145.5-173.5-173.10000111.4
583V29.7Very low29.1Very low90 Ų90109 Ų10955%0.54560%0.598SS.*  trans-121.496.1176.6-79.50000112.7
584H27.9Very low29.6Very low101 Ų101106.8 Ų106.847%0.46859%0.586SS.*  43.2101.9117.2-74-90.5000119.4
585S29.7Very low29.9Very low57 Ų57106.6 Ų106.640%0.39958%0.575SS.*SBendtrans-141.7-48.9134.460.70000111.6C587S585-C587 VanDerWaalsContact C-N 3.29Å; S585-C587 PolarHBondContact O-N 3.22Å
586E31.7Very low30.4Very low86 Ų86108.5 Ų108.540%0.40258%0.576SS.*THydrogen-bonded Turntrans-73.8-13.3-176.5-55.3-160.5150.100114.5L588 S832E586-L588 VanDerWaalsContact C-N 3.29Å; E586-L588 PolarHBondContact O-N 3.49Å; E586-S832 PolarHBondContact OE1-OG 3.41Å
587C32.2Very low30.7Very low39 Ų39108.6 Ų108.626%0.26458%0.584SS.*Hα-helixtrans-73.1-10.9-177.4-165.40000115S585 S590S585-C587 VanDerWaalsContact C-N 3.29Å; S585-C587 PolarHBondContact O-N 3.22Å; C587-S590 PolarHBondContact O-OG 3.31Å
588L32.6Very low31.2Very low50 Ų50111.2 Ų111.226%0.26259%0.588SS.*Hα-helixtrans-90.9-37.6-176.7-64.1176.3000112.7E586 S590 R591 L592 L631E586-L588 VanDerWaalsContact C-N 3.29Å; E586-L588 PolarHBondContact O-N 3.49Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 3.44Å; L588-R591 PolarHBondContact O-N 3.49Å; L588-L592 PolarHBondContact O-N 3.33Å; L588-L631 HydrophobicContact CD1-CD2 4.09Å
589S29.7Very low31.4Very low89 Ų89109.7 Ų109.762%0.62259%0.593SS**Hα-helixtrans-70.3-20.6-179.3-54.80000114
590S30.9Very low32Very low74 Ų74110.3 Ų110.352%0.51760%0.597SS.*Hα-helixtrans-78.3-39.2171.549.80000112.1C587 L588 K593C587-S590 PolarHBondContact O-OG 3.31Å; L588-S590 VanDerWaalsContact C-N 3.27Å; L588-S590 PolarHBondContact O-N 3.44Å; S590-K593 PolarHBondContact O-N 3.02Å
591R32.4Very low32.3Very low156 Ų156109.3 Ų109.359%0.58960%0.604SS**Hα-helixtrans-69-37.3-178.9-166.2170.4-178.1158.62.6112.9L588 K593 A594 E595L588-R591 PolarHBondContact O-N 3.49Å; R591-K593 PolarHBondContact O-N 3.38Å; R591-A594 PolarHBondContact O-N 3.25Å; R591-E595 IonicContact CZ-OE1 2.7Å; R591-E595 IonicContact NE-OE1 3.63Å; R591-E595 PolarHBondContact NE-OE1 3.14Å; R591-E595 VanDerWaalsContact NE-OE1 3.09Å; R591-E595 IonicContact NH2-OE1 2.75Å
592L33.4Very low32.7Very low120 Ų120110.7 Ų110.763%0.62862%0.615SS**THydrogen-bonded Turntrans-62.8-5.6173.3-71.4171.5000114.7L588L588-L592 PolarHBondContact O-N 3.33Å
593K37.4Very low33Very low186 Ų186113.8 Ų113.881%0.80963%0.631SS**THydrogen-bonded Turntrans-108.40.7172.9-70.4-172.8174.1-176.30114.1S590 R591S590-K593 PolarHBondContact O-N 3.02Å; R591-K593 PolarHBondContact O-N 3.38Å
594A36.8Very low33.2Very low70 Ų70115.1 Ų115.158%0.57964%0.64SS**THydrogen-bonded Turntrans-103.6-16.4-173.100000114.2R591R591-A594 PolarHBondContact O-N 3.25Å
595E36.3Very low33.6Very low140 Ų140117.6 Ų117.665%0.65466%0.656SS**SBendtrans-1028-168.9-64178.4-176.300113.6R591 Q597R591-E595 IonicContact CZ-OE1 2.7Å; R591-E595 IonicContact NE-OE1 3.63Å; R591-E595 PolarHBondContact NE-OE1 3.14Å; R591-E595 VanDerWaalsContact NE-OE1 3.09Å; R591-E595 IonicContact NH2-OE1 2.75Å; E595-Q597 VanDerWaalsContact C-N 3.33Å
596D36.3Very low33.8Very low161 Ų161121 Ų12186%0.86168%0.675SS**SBendtrans-88.24.7177-154.830.8000113.5
597Q35.4Very low34Very low171 Ų171123.2 Ų123.280%0.79970%0.696SS**SBendtrans-145.490.9173.1-72-171.2104.300111.2E595E595-Q597 VanDerWaalsContact C-N 3.33Å
598L32.6Very low34.1Very low178 Ų178125.5 Ų125.593%0.93272%0.718SS**  trans166.5105.7145.5-92.3159.8000109.8
599S30.5Very low34.3Very low101 Ų101134.5 Ų134.571%0.70675%0.75SS**  trans-124.3157.8171.5-174.80000110.1
600N35.5Very low34.4Very low160 Ų160133.2 Ų133.286%0.85675%0.752SS**  trans71130.6-169.5-38.3-31000111.4
601G33.1Very low34.6Very low67 Ų67136.9 Ų136.969%0.69177%0.77SS**  cis129.1135.119.200000107.3
602N36.9Very low34.6Very low169 Ų169135.6 Ų135.690%0.90478%0.78SS**  cis-145.1-176.217.5-73.3-28.6000112.4
603T32.6Very low34.4Very low125 Ų125138.7 Ų138.777%0.76779%0.792SS**  trans-103-176-169.745.70000115.4
604T34.4Very low34.1Very low118 Ų118134.7 Ų134.772%0.72478%0.784SS**  trans87.2143.3166.1730000117.6
605N35.3Very low33.6Very low153 Ų153135.5 Ų135.582%0.81879%0.791SS**  cis-159.6165.6-11.1-107.2-7.9000111.4
606T33.4Very low33.2Very low129 Ų129136.2 Ų136.279%0.79180%0.799SS**  trans-141.2144.8177.7-45.90000112.1
607P36Very low32.7Very low131 Ų131134.1 Ų134.185%0.85180%0.797SS**  trans-124.7161.9154.436.2-23.7000113.1
608A34.6Very low32.4Very low88 Ų88133.8 Ų133.873%0.72780%0.795SS**  trans-148.6165.7-169.400000114.9
609Y36.1Very low31.9Very low238 Ų238130.5 Ų130.593%0.93379%0.787SS**  trans-155.4158.9165.3-92.3-88.3000109.3
610G33Very low31.9Very low63 Ų63133 Ų13365%0.64979%0.791SS**  cis152.944.5-9.100000117.7
611V35.4Very low31.5Very low150 Ų150131.9 Ų131.991%0.90979%0.789SS**  trans-133.7151.3170.6-1770000110.8
612T30.6Very low31.3Very low130 Ų130131.3 Ų131.380%0.79878%0.784SS**  trans-128.2153.9-154.149.60000116.1
613E30.1Very low30.9Very low185 Ų185128.8 Ų128.886%0.86477%0.774SS**  trans-141.1156.4148.8-102.3-76.2105.300107.7
614P32.1Very low30.9Very low101 Ų101130.1 Ų130.166%0.65678%0.777SS**  trans-105.5150-140.238.1-38.7000119.4
615A25.8Very low31.2Very low88 Ų88127 Ų12773%0.72777%0.769SS**  trans62.387.8136.200000121.3
616L28.1Very low31.7Very low154 Ų154124.5 Ų124.581%0.80675%0.751SS**  -153.439.2120.6-120.1169.2000114.5Q618L616-Q618 PolarHBondContact O-N 3.45Å
617S24.3Very low32.6Very low118 Ų118125.3 Ų125.383%0.82575%0.745SS**  trans-79.385.1-178.5-55.50000113.3
618Q29.3Very low33.6Very low163 Ų163124.3 Ų124.376%0.76273%0.731SS**  trans-94.6102.7154.8-64.2-178.29.200106.8L616L616-Q618 PolarHBondContact O-N 3.45Å
619S23.4Very low35.1Very low109 Ų109122.3 Ų122.376%0.76272%0.72SS**  54.864.865-157.10000112.7
620I30Very low37.2Very low155 Ų155114 Ų11480%0.79569%0.691SS**  trans-12662.4152.6-49-178000108G622I620-G622 VanDerWaalsContact C-N 3.27Å; I620-G622 PolarHBondContact O-N 3.45Å
621V27.6Very low39.8Very low135 Ų135112.3 Ų112.382%0.81867%0.667SS**  trans-85.284.1154-179.70000106.2T623V621-T623 PolarHBondContact O-OG1 3.33Å
622G29.1Very low42.2Very low55 Ų55107.2 Ų107.257%0.56764%0.638SS**  trans-125.9117.2165.300000106I620I620-G622 VanDerWaalsContact C-N 3.27Å; I620-G622 PolarHBondContact O-N 3.45Å
623T28.6Very low45.1Very low116 Ų116104.7 Ų104.771%0.71263%0.626SS**  cis45.759.126.252.60000112.1V621V621-T623 PolarHBondContact O-OG1 3.33Å
624D31.6Very low48Very low154 Ų154100.2 Ų100.282%0.82460%0.604SS**  -173.6111.6120.6-86.8-17.3000109.6
625G40.4Very low50.9Low53 Ų5397.3 Ų97.355%0.54658%0.582SS.*SBendtrans-147.67.6-156.100000118.3
626F45.8Very low54.1Low100 Ų10095.8 Ų95.844%0.43957%0.57SS.*  trans67.5140.2-160.4-109.3-77.4000113.3D630 D721 I724F626-D630 HydrophobicContact CD1-CB 4.05Å; F626-D630 WeakPolarHBondContact CD1-OD2 3.41Å; F626-D630 HydrophobicContact CE1-CB 4.26Å; F626-D721 VanDerWaalsContact CE2-OD1 3.25Å; F626-D721 WeakPolarHBondContact CE2-OD1 3.45Å; F626-I724 HydrophobicContact CB-CD1 4.04Å; F626-I724 HydrophobicContact CD1-CD1 4.4Å; F626-I724 HydrophobicContact CD2-CD1 3.88Å; F626-I724 HydrophobicContact CE2-CD1 4.47Å; F626-I724 HydrophobicContact CG-CD1 3.85Å
627H52.3Low57.3Low145 Ų14591.8 Ų91.867%0.67155%0.547SS*.  trans-75.6132.4175.8-64.8-76.7000110G629 D630H627-G629 PolarHBondContact O-N 3.44Å; H627-G629 VanDerWaalsContact O-N 3.13Å; H627-D630 IonicContact CD2-OD2 3.19Å; H627-D630 WeakPolarHBondContact O-CB 3.28Å; H627-D630 PolarHBondContact O-N 2.93Å
628I58.1Low60.7Low110 Ų11087.1 Ų87.156%0.56451%0.513SS*.Hα-helixtrans-57.5-28.9172.6-64.3172.9000110.8D630 L631 S632I628-D630 PolarHBondContact O-N 3.37Å; I628-L631 PolarHBondContact O-N 3.48Å; I628-S632 WeakPolarHBondContact O-CB 3.19Å; I628-S632 PolarHBondContact O-N 2.85Å
629G65.7Low63.8Low47 Ų4782.6 Ų82.649%0.48549%0.494SS..Hα-helixtrans-60.7-34.8171.100000114.5H627 S632 S633H627-G629 PolarHBondContact O-N 3.44Å; H627-G629 VanDerWaalsContact O-N 3.13Å; G629-S632 PolarHBondContact O-N 2.92Å; G629-S633 WeakPolarHBondContact O-CB 3.39Å; G629-S633 PolarHBondContact O-N 2.88Å
630D79.4Confident67.2Low62 Ų6285.9 Ų85.933%0.33249%0.489SS..Hα-helixtrans-67.9-41.7178.4-64.8-38000111.3F626 H627 I628 K634F626-D630 HydrophobicContact CD1-CB 4.05Å; F626-D630 WeakPolarHBondContact CD1-OD2 3.41Å; F626-D630 HydrophobicContact CE1-CB 4.26Å; H627-D630 IonicContact CD2-OD2 3.19Å; H627-D630 WeakPolarHBondContact O-CB 3.28Å; H627-D630 PolarHBondContact O-N 2.93Å; I628-D630 PolarHBondContact O-N 3.37Å; D630-K634 WeakPolarHBondContact O-CB 3.3Å; D630-K634 WeakPolarHBondContact O-CD 3.29Å; D630-K634 WeakPolarHBondContact O-CG 3.49Å; D630-K634 PolarHBondContact O-N 2.88Å
631L87.4Confident70.3Confident28 Ų2882.7 Ų82.715%0.14747%0.473CS..Hα-helixtrans-65.7-45.9174.7179.162.1000110.6L588 I628 S633 K634 L635 I724 T727 L728L588-L631 HydrophobicContact CD1-CD2 4.09Å; I628-L631 PolarHBondContact O-N 3.48Å; L631-S633 VanDerWaalsContact C-N 3.33Å; L631-S633 PolarHBondContact O-N 3.47Å; L631-K634 PolarHBondContact O-N 3.35Å; L631-L635 HydrophobicContact CD1-CD1 4.27Å; L631-L635 HydrophobicContact CD1-CG 4.35Å; L631-L635 HydrophobicContact CG-CD1 4.01Å; L631-L635 VanDerWaalsContact O-CG 3.27Å; L631-L635 WeakPolarHBondContact O-CG 3.38Å; L631-L635 PolarHBondContact O-N 3.13Å; L631-I724 HydrophobicContact CD1-CG2 4.29Å; L631-T727 HydrophobicContact CD1-CG2 4.33Å; L631-L728 HydrophobicContact CD1-CD2 3.99Å; L631-L728 HydrophobicContact CD1-CG 4.12Å
632S87.3Confident73.5Confident43 Ų4377.6 Ų77.630%0.30144%0.44SS..Hα-helixtrans-60.2-42.2177.2-165.80000112.2I628 G629 L635 A636I628-S632 WeakPolarHBondContact O-CB 3.19Å; I628-S632 PolarHBondContact O-N 2.85Å; G629-S632 PolarHBondContact O-N 2.92Å; S632-L635 PolarHBondContact O-N 2.81Å; S632-A636 WeakPolarHBondContact O-CB 3.25Å; S632-A636 PolarHBondContact O-N 3.01Å
633S90.2Very high76.6Confident78 Ų7877.9 Ų77.955%0.54543%0.432SS..Hα-helixtrans-62.2-45.2176.4-176.60000111.7G629 L631 L635 A636 E637G629-S633 WeakPolarHBondContact O-CB 3.39Å; G629-S633 PolarHBondContact O-N 2.88Å; L631-S633 VanDerWaalsContact C-N 3.33Å; L631-S633 PolarHBondContact O-N 3.47Å; S633-L635 PolarHBondContact O-N 3.26Å; S633-A636 PolarHBondContact O-N 2.9Å; S633-E637 WeakPolarHBondContact O-CB 3.37Å; S633-E637 PolarHBondContact O-N 3.43Å
634K91.8Very high79.7Confident90 Ų9076.8 Ų76.839%0.39142%0.418SS..Hα-helixtrans-66.6-34.3176.7-69.7169.6-168.4-600113.2D630 L631 I638 L728D630-K634 WeakPolarHBondContact O-CB 3.3Å; D630-K634 WeakPolarHBondContact O-CD 3.29Å; D630-K634 WeakPolarHBondContact O-CG 3.49Å; D630-K634 PolarHBondContact O-N 2.88Å; L631-K634 PolarHBondContact O-N 3.35Å; K634-I638 WeakPolarHBondContact O-CG1 3.19Å; K634-I638 PolarHBondContact O-N 2.97Å; K634-I638 VanDerWaalsContact O-N 3.12Å; K634-L728 HydrophobicContact CB-CD1 4.01Å; K634-L728 HydrophobicContact CB-CD2 3.56Å; K634-L728 HydrophobicContact CB-CG 4.46Å; K634-L728 HydrophobicContact CD-CD1 3.83Å; K634-L728 HydrophobicContact CG-CD1 4.49Å
635L93.5Very high82.6Confident40 Ų4070 Ų7021%0.20938%0.382CS..Hα-helixtrans-66.7-46.9173.6-70.4166.3000111.1L631 S632 S633 E637 I638 D639 L728 H731L631-L635 HydrophobicContact CD1-CD1 4.27Å; L631-L635 HydrophobicContact CD1-CG 4.35Å; L631-L635 HydrophobicContact CG-CD1 4.01Å; L631-L635 VanDerWaalsContact O-CG 3.27Å; L631-L635 WeakPolarHBondContact O-CG 3.38Å; L631-L635 PolarHBondContact O-N 3.13Å; S632-L635 PolarHBondContact O-N 2.81Å; S633-L635 PolarHBondContact O-N 3.26Å; L635-E637 VanDerWaalsContact C-N 3.31Å; L635-E637 PolarHBondContact O-N 3.36Å; L635-I638 WeakPolarHBondContact O-CB 3.49Å; L635-I638 PolarHBondContact O-N 3.02Å; L635-I638 VanDerWaalsContact O-N 3.12Å; L635-D639 PolarHBondContact O-N 3.38Å; L635-L728 HydrophobicContact CD2-CD2 3.87Å; L635-L728 HydrophobicContact CG-CD2 3.97Å; L635-H731 HydrophobicContact CD2-CB 3.48Å; L635-H731 VanDerWaalsContact CD2-CB 3.48Å
636A93Very high85Confident57 Ų5772.6 Ų72.647%0.47139%0.392SS..Hα-helixtrans-64.6-32.7175.500000112.9S632 S633 D639 R640S632-A636 WeakPolarHBondContact O-CB 3.25Å; S632-A636 PolarHBondContact O-N 3.01Å; S633-A636 PolarHBondContact O-N 2.9Å; A636-D639 PolarHBondContact O-N 3.32Å; A636-R640 WeakPolarHBondContact O-CB 3.29Å; A636-R640 PolarHBondContact O-N 2.74Å
637E94Very high87.2Confident69 Ų6971.3 Ų71.332%0.32239%0.392SS..Hα-helixtrans-63.9-40.4171.4-178.8164.7-135.300111.7S633 L635 R640 L641S633-E637 WeakPolarHBondContact O-CB 3.37Å; S633-E637 PolarHBondContact O-N 3.43Å; L635-E637 VanDerWaalsContact C-N 3.31Å; L635-E637 PolarHBondContact O-N 3.36Å; E637-R640 PolarHBondContact O-N 3.23Å; E637-R640 IonicContact OE1-NH2 2.65Å; E637-R640 PolarHBondContact OE1-NH2 3.47Å; E637-L641 HydrophobicContact CG-CD1 3.89Å; E637-L641 HydrophobicContact CG-CG 4.35Å; E637-L641 WeakPolarHBondContact O-CB 3.2Å; E637-L641 VanDerWaalsContact O-CG 3.24Å; E637-L641 WeakPolarHBondContact O-CG 3.42Å; E637-L641 PolarHBondContact O-N 2.93Å
638I95.3Very high88.9Confident21 Ų2168.3 Ų68.311%0.10839%0.388CS..Hα-helixtrans-62.6-46.1173.2-70165.2000111K634 L635 R640 L641 Y642 L728 K732 L735K634-I638 WeakPolarHBondContact O-CG1 3.19Å; K634-I638 PolarHBondContact O-N 2.97Å; K634-I638 VanDerWaalsContact O-N 3.12Å; L635-I638 WeakPolarHBondContact O-CB 3.49Å; L635-I638 PolarHBondContact O-N 3.02Å; L635-I638 VanDerWaalsContact O-N 3.12Å; I638-R640 VanDerWaalsContact C-N 3.27Å; I638-R640 PolarHBondContact O-N 3.12Å; I638-L641 PolarHBondContact O-N 2.79Å; I638-L641 VanDerWaalsContact O-N 3.15Å; I638-Y642 HydrophobicContact CG2-CD2 4.17Å; I638-Y642 WeakPolarHBondContact O-CD2 3.42Å; I638-Y642 PolarHBondContact O-N 3.22Å; I638-Y642 VanDerWaalsContact O-N 3.07Å; I638-L728 HydrophobicContact CD1-CB 4.05Å; I638-L728 HydrophobicContact CD1-CD2 3.79Å; I638-K732 HydrophobicContact CD1-CB 4.47Å; I638-K732 HydrophobicContact CG2-CB 4.17Å; I638-K732 HydrophobicContact CG2-CG 4.36Å; I638-L735 HydrophobicContact CG2-CD2 3.89Å
639D94.3Very high90.6Very high67 Ų6770.1 Ų70.136%0.35839%0.394SS..Hα-helixtrans-60.5-36.9177.2-75.9-43.3000112.7L635 A636 H731 L735L635-D639 PolarHBondContact O-N 3.38Å; A636-D639 PolarHBondContact O-N 3.32Å; D639-H731 IonicContact OD1-CE1 3.6Å; D639-H731 PolarHBondContact OD1-CE1 2.77Å; D639-H731 IonicContact OD2-CE1 2.89Å; D639-H731 PolarHBondContact OD2-CE1 3.13Å; D639-L735 WeakPolarHBondContact OD1-CD2 3.35Å
640R95.5Very high91.9Very high178 Ų17869.5 Ų69.567%0.67238%0.378SS*.Hα-helixtrans-70.7-34.1175.3-173.6-174.465.7153.1-2.9112.9A636 E637 I638A636-R640 WeakPolarHBondContact O-CB 3.29Å; A636-R640 PolarHBondContact O-N 2.74Å; E637-R640 PolarHBondContact O-N 3.23Å; E637-R640 IonicContact OE1-NH2 2.65Å; E637-R640 PolarHBondContact OE1-NH2 3.47Å; I638-R640 VanDerWaalsContact C-N 3.27Å; I638-R640 PolarHBondContact O-N 3.12Å
641L95Very high92.6Very high88 Ų8867.3 Ų67.346%0.46137%0.368SS..Hα-helixtrans-77.2-25.3179.8-74.6170.3000113.2E637 I638 P643E637-L641 HydrophobicContact CG-CD1 3.89Å; E637-L641 HydrophobicContact CG-CG 4.35Å; E637-L641 WeakPolarHBondContact O-CB 3.2Å; E637-L641 VanDerWaalsContact O-CG 3.24Å; E637-L641 WeakPolarHBondContact O-CG 3.42Å; E637-L641 PolarHBondContact O-N 2.93Å; I638-L641 PolarHBondContact O-N 2.79Å; I638-L641 VanDerWaalsContact O-N 3.15Å; L641-P643 VanDerWaalsContact O-CD 3.31Å; L641-P643 WeakPolarHBondContact O-CD 3.45Å
642Y95.5Very high92.9Very high29 Ų2969.5 Ų69.511%0.11439%0.386CS..SBendtrans-121.668.2178.1-52.7-81.1000112.4I638 Y654 E657 K732 L735 L736 R739I638-Y642 HydrophobicContact CG2-CD2 4.17Å; I638-Y642 WeakPolarHBondContact O-CD2 3.42Å; I638-Y642 PolarHBondContact O-N 3.22Å; I638-Y642 VanDerWaalsContact O-N 3.07Å; Y642-Y654 WeakPolarHBondContact CA-OH 3.45Å; Y642-Y654 HydrophobicContact CD1-CD1 4.01Å; Y642-Y654 HydrophobicContact CD1-CD2 4.5Å; Y642-Y654 AromaticContact CD1-CE1 3.8Å; Y642-Y654 HydrophobicContact CD1-CE1 3.8Å; Y642-Y654 HydrophobicContact CD1-CE2 4.33Å; Y642-Y654 HydrophobicContact CD1-CG 4.38Å; Y642-Y654 AromaticContact CD1-CZ 4Å; Y642-E657 HydrophobicContact CE1-CG 3.88Å; Y642-E657 PolarHBondContact OH-OE2 2.96Å; Y642-K732 HydrophobicContact CE2-CD 4.43Å; Y642-K732 HydrophobicContact CE2-CG 4.22Å; Y642-K732 VanDerWaalsContact CZ-CE 3.46Å; Y642-K732 WeakPolarHBondContact OH-CE 3.49Å; Y642-K732 PolarHBondContact OH-NZ 3.36Å; Y642-L735 HydrophobicContact CD2-CD2 4.48Å; Y642-L736 HydrophobicContact CD1-CD2 3.55Å; Y642-L736 HydrophobicContact CE1-CD2 4.01Å; Y642-L736 HydrophobicContact CG-CD2 3.99Å; Y642-R739 PolarHBondContact O-NE 2.94Å; Y642-R739 PolarHBondContact O-NH2 3.29Å
643P94.4Very high93.2Very high61 Ų6173.3 Ų73.340%0.39640%0.401SS..  trans-63.3-176.3173.129.5-38000113L641 Y654 R739L641-P643 VanDerWaalsContact O-CD 3.31Å; L641-P643 WeakPolarHBondContact O-CD 3.45Å; P643-Y654 WeakPolarHBondContact CD-OH 3.28Å; P643-Y654 WeakPolarHBondContact O-CE2 3.44Å; P643-Y654 PolarHBondContact O-OH 2.8Å; P643-Y654 VanDerWaalsContact O-OH 3.07Å; P643-R739 WeakPolarHBondContact O-CD 3.41Å; P643-R739 PolarHBondContact O-NE 3.07Å
644E92.7Very high93.6Very high92 Ų9270.2 Ų70.243%0.4338%0.377SS..  trans-66.1143.6179.1-162.4155-174.200112.4S646 Q650E644-S646 PolarHBondContact O-N 3.27Å; E644-Q650 PolarHBondContact O-NE2 3.05Å
645I93.2Very high93.8Very high12 Ų1268.6 Ų68.66%0.06237%0.373CS..  trans-81.3113.5-173.1-63.5173.3000109.9T647 Q650 A651 Y654 R739 L740I645-T647 VanDerWaalsContact CG2-O 3.31Å; I645-T647 WeakPolarHBondContact CG2-O 3.2Å; I645-Q650 HydrophobicContact CG1-CG 4.49Å; I645-Q650 HydrophobicContact CG2-CB 4.41Å; I645-A651 HydrophobicContact CD1-CB 4.47Å; I645-A651 HydrophobicContact CG2-CB 3.88Å; I645-Y654 HydrophobicContact CD1-CD2 3.61Å; I645-Y654 HydrophobicContact CD1-CE2 4.11Å; I645-Y654 HydrophobicContact CD1-CG 4.24Å; I645-Y654 HydrophobicContact CG1-CD2 3.64Å; I645-Y654 HydrophobicContact CG1-CE2 3.6Å; I645-Y654 HydrophobicContact CG1-CG 4.42Å; I645-R739 HydrophobicContact CD1-CB 3.84Å; I645-R739 WeakPolarHBondContact CD1-O 3.38Å; I645-R739 HydrophobicContact CG1-CB 4.06Å; I645-L740 HydrophobicContact CD1-CD2 3.98Å; I645-L740 HydrophobicContact CD1-CG 4.31Å
646S89.8Confident93.9Very high108 Ų10869.4 Ų69.476%0.75539%0.385SS*.  trans-102.6-20.9179.6-600000113.3E644E644-S646 PolarHBondContact O-N 3.27Å
647T91.9Very high94Very high72 Ų7269.2 Ų69.244%0.44237%0.374SS..SBendtrans-130.8156.9-179.177.20000113I645 E649 Q650 A651I645-T647 VanDerWaalsContact CG2-O 3.31Å; I645-T647 WeakPolarHBondContact CG2-O 3.2Å; T647-E649 VanDerWaalsContact C-N 3.25Å; T647-E649 PolarHBondContact O-N 3.24Å; T647-Q650 PolarHBondContact O-N 3.17Å; T647-Q650 WeakPolarHBondContact OG1-CB 3.47Å; T647-Q650 PolarHBondContact OG1-N 3.19Å; T647-Q650 VanDerWaalsContact OG1-N 3.08Å; T647-A651 PolarHBondContact O-N 3.27Å; T647-A651 VanDerWaalsContact O-N 3.08Å
648S89.8Confident94.2Very high83 Ų8366.5 Ų66.558%0.5836%0.361SS*.Hα-helixtrans-69.8-22.8175.1-165.20000113.1S652S648-S652 PolarHBondContact O-N 3.36Å; S648-S652 VanDerWaalsContact O-N 3.12Å; S648-S652 PolarHBondContact O-OG 2.92Å
649E92.1Very high94.1Very high148 Ų14870.8 Ų70.869%0.69238%0.381SS*.Hα-helixtrans-70.8-47.1173.2-177.4178-162.700110.7T647 A651 S652 M653T647-E649 VanDerWaalsContact C-N 3.25Å; T647-E649 PolarHBondContact O-N 3.24Å; E649-A651 VanDerWaalsContact C-N 3.26Å; E649-A651 PolarHBondContact O-N 2.88Å; E649-S652 WeakPolarHBondContact O-CA 3.37Å; E649-S652 WeakPolarHBondContact O-CB 3.3Å; E649-S652 PolarHBondContact O-N 3.3Å; E649-M653 WeakPolarHBondContact O-CG 3.37Å; E649-M653 PolarHBondContact O-N 2.71Å
650Q93.6Very high94.2Very high34 Ų3472 Ų7216%0.15939%0.394CS..Hα-helixtrans-58.9-38172.9-173.6-172.82.500111.4E644 I645 T647 M653 Y654E644-Q650 PolarHBondContact O-NE2 3.05Å; I645-Q650 HydrophobicContact CG1-CG 4.49Å; I645-Q650 HydrophobicContact CG2-CB 4.41Å; T647-Q650 PolarHBondContact O-N 3.17Å; T647-Q650 WeakPolarHBondContact OG1-CB 3.47Å; T647-Q650 PolarHBondContact OG1-N 3.19Å; T647-Q650 VanDerWaalsContact OG1-N 3.08Å; Q650-M653 PolarHBondContact O-N 3.43Å; Q650-Y654 HydrophobicContact CG-CD1 4.17Å; Q650-Y654 HydrophobicContact CG-CE1 3.61Å; Q650-Y654 PolarHBondContact NE2-OH 3.26Å; Q650-Y654 WeakPolarHBondContact O-CB 3.24Å; Q650-Y654 WeakPolarHBondContact O-CD1 3.18Å; Q650-Y654 PolarHBondContact O-N 2.89Å
651A94.4Very high94.1Very high15 Ų1564 Ų6412%0.12437%0.365CS..Hα-helixtrans-60.8-43.317200000112.5I645 T647 E649 Y654 L655 L740I645-A651 HydrophobicContact CD1-CB 4.47Å; I645-A651 HydrophobicContact CG2-CB 3.88Å; T647-A651 PolarHBondContact O-N 3.27Å; T647-A651 VanDerWaalsContact O-N 3.08Å; E649-A651 VanDerWaalsContact C-N 3.26Å; E649-A651 PolarHBondContact O-N 2.88Å; A651-Y654 PolarHBondContact O-N 3.34Å; A651-L655 PolarHBondContact O-N 3.13Å; A651-L740 HydrophobicContact CB-CD2 4.5Å; A651-L740 WeakPolarHBondContact O-CD2 3.42Å
652S93.2Very high94.2Very high74 Ų7461.2 Ų61.252%0.51735%0.348SS..Hα-helixtrans-65.6-41.4176.8-59.50000112.2S648 E649 Y654 L655 A656S648-S652 PolarHBondContact O-N 3.36Å; S648-S652 VanDerWaalsContact O-N 3.12Å; S648-S652 PolarHBondContact O-OG 2.92Å; E649-S652 WeakPolarHBondContact O-CA 3.37Å; E649-S652 WeakPolarHBondContact O-CB 3.3Å; E649-S652 PolarHBondContact O-N 3.3Å; S652-Y654 PolarHBondContact O-N 2.94Å; S652-L655 PolarHBondContact O-N 3.48Å; S652-A656 PolarHBondContact O-N 2.99Å
653M95Very high94.2Very high124 Ų12463.2 Ų63.261%0.61137%0.365SS*.Hα-helixtrans-59.8-44.2173-67.9178.97200111.8E649 Q650 L655 A656 E657E649-M653 WeakPolarHBondContact O-CG 3.37Å; E649-M653 PolarHBondContact O-N 2.71Å; Q650-M653 PolarHBondContact O-N 3.43Å; M653-L655 VanDerWaalsContact C-N 3.32Å; M653-L655 PolarHBondContact O-N 3.14Å; M653-A656 PolarHBondContact O-N 3.32Å; M653-E657 VanDerWaalsContact O-CB 3.27Å; M653-E657 WeakPolarHBondContact O-CB 3.42Å; M653-E657 PolarHBondContact O-N 3.24Å
654Y97.1Very high94.2Very high13 Ų1362.3 Ų62.35%0.05136%0.359CS..Hα-helixtrans-69.4-31.8-178.7-7728.7000111.7Y642 P643 I645 Q650 A651 S652 F658 L736 R739Y642-Y654 WeakPolarHBondContact CA-OH 3.45Å; Y642-Y654 HydrophobicContact CD1-CD1 4.01Å; Y642-Y654 HydrophobicContact CD1-CD2 4.5Å; Y642-Y654 AromaticContact CD1-CE1 3.8Å; Y642-Y654 HydrophobicContact CD1-CE1 3.8Å; Y642-Y654 HydrophobicContact CD1-CE2 4.33Å; Y642-Y654 HydrophobicContact CD1-CG 4.38Å; Y642-Y654 AromaticContact CD1-CZ 4Å; P643-Y654 WeakPolarHBondContact CD-OH 3.28Å; P643-Y654 WeakPolarHBondContact O-CE2 3.44Å; P643-Y654 PolarHBondContact O-OH 2.8Å; P643-Y654 VanDerWaalsContact O-OH 3.07Å; I645-Y654 HydrophobicContact CD1-CD2 3.61Å; I645-Y654 HydrophobicContact CD1-CE2 4.11Å; I645-Y654 HydrophobicContact CD1-CG 4.24Å; I645-Y654 HydrophobicContact CG1-CD2 3.64Å; I645-Y654 HydrophobicContact CG1-CE2 3.6Å; I645-Y654 HydrophobicContact CG1-CG 4.42Å; Q650-Y654 HydrophobicContact CG-CD1 4.17Å; Q650-Y654 HydrophobicContact CG-CE1 3.61Å; Q650-Y654 PolarHBondContact NE2-OH 3.26Å; Q650-Y654 WeakPolarHBondContact O-CB 3.24Å; Q650-Y654 WeakPolarHBondContact O-CD1 3.18Å; Q650-Y654 PolarHBondContact O-N 2.89Å; A651-Y654 PolarHBondContact O-N 3.34Å; S652-Y654 PolarHBondContact O-N 2.94Å; Y654-F658 VanDerWaalsContact O-CB 3.3Å; Y654-F658 WeakPolarHBondContact O-CB 3.47Å; Y654-F658 PolarHBondContact O-N 2.87Å; Y654-F658 VanDerWaalsContact O-N 3.07Å; Y654-L736 HydrophobicContact CD1-CD2 4.43Å; Y654-L736 HydrophobicContact CD2-CD2 3.82Å; Y654-L736 HydrophobicContact CG-CD2 3.73Å; Y654-R739 HydrophobicContact CD2-CB 3.95Å; Y654-R739 HydrophobicContact CD2-CG 4.42Å; Y654-R739 HydrophobicContact CE2-CB 4.06Å; Y654-R739 HydrophobicContact CE2-CG 4.13Å
655L96Very high94.4Very high56 Ų5658.6 Ų58.629%0.29334%0.341SS..Hα-helixtrans-69-48.7172.7-178.261.5000111.5A651 S652 M653 E657 F658 E659 L740 M817A651-L655 PolarHBondContact O-N 3.13Å; S652-L655 PolarHBondContact O-N 3.48Å; M653-L655 VanDerWaalsContact C-N 3.32Å; M653-L655 PolarHBondContact O-N 3.14Å; L655-E657 VanDerWaalsContact C-N 3.31Å; L655-E657 PolarHBondContact O-N 3.18Å; L655-F658 WeakPolarHBondContact O-CB 3.49Å; L655-F658 PolarHBondContact O-N 2.82Å; L655-F658 VanDerWaalsContact O-N 3.14Å; L655-E659 HydrophobicContact CD1-CG 4.27Å; L655-E659 WeakPolarHBondContact O-CG 3.47Å; L655-E659 PolarHBondContact O-N 2.91Å; L655-L740 HydrophobicContact CB-CD2 4.42Å; L655-L740 HydrophobicContact CD1-CD1 4.44Å; L655-M817 HydrophobicContact CD1-SD 4.49Å
656A95.4Very high94.5Very high57 Ų5760.4 Ų60.447%0.47135%0.35SS..Hα-helixtrans-60.8-40.1177.800000112.3S652 M653 E659 C660S652-A656 PolarHBondContact O-N 2.99Å; M653-A656 PolarHBondContact O-N 3.32Å; A656-E659 PolarHBondContact O-N 3.49Å; A656-C660 VanDerWaalsContact O-CB 3.29Å; A656-C660 WeakPolarHBondContact O-CB 3.29Å; A656-C660 PolarHBondContact O-N 2.92Å
657E96.5Very high94.7Very high52 Ų5262.9 Ų62.924%0.24334%0.343CS..Hα-helixtrans-61.8-43.6173.2178.566.9-96.400112.3Y642 M653 L655 C660 T661 K732 L736Y642-E657 HydrophobicContact CE1-CG 3.88Å; Y642-E657 PolarHBondContact OH-OE2 2.96Å; M653-E657 VanDerWaalsContact O-CB 3.27Å; M653-E657 WeakPolarHBondContact O-CB 3.42Å; M653-E657 PolarHBondContact O-N 3.24Å; L655-E657 VanDerWaalsContact C-N 3.31Å; L655-E657 PolarHBondContact O-N 3.18Å; E657-C660 PolarHBondContact O-N 2.86Å; E657-T661 WeakPolarHBondContact O-CB 3.5Å; E657-T661 PolarHBondContact O-N 2.94Å; E657-T661 PolarHBondContact O-OG1 2.92Å; E657-T661 PolarHBondContact OE1-OG1 3.29Å; E657-K732 WeakPolarHBondContact OE1-CE 3.46Å; E657-K732 IonicContact OE1-NZ 3.09Å; E657-K732 PolarHBondContact OE1-NZ 3.01Å; E657-K732 IonicContact OE2-NZ 3.72Å; E657-K732 PolarHBondContact OE2-NZ 2.86Å; E657-L736 HydrophobicContact CB-CD1 4.28Å; E657-L736 HydrophobicContact CG-CD1 3.69Å; E657-L736 HydrophobicContact CG-CD2 4.4Å
658F97.2Very high94.7Very high12 Ų1260.5 Ų60.55%0.05333%0.327CS..Hα-helixtrans-63.9-45.2176.5174-85.5000111.4Y654 L655 C660 T661 Y662 L733 L736 K737 L824Y654-F658 VanDerWaalsContact O-CB 3.3Å; Y654-F658 WeakPolarHBondContact O-CB 3.47Å; Y654-F658 PolarHBondContact O-N 2.87Å; Y654-F658 VanDerWaalsContact O-N 3.07Å; L655-F658 WeakPolarHBondContact O-CB 3.49Å; L655-F658 PolarHBondContact O-N 2.82Å; L655-F658 VanDerWaalsContact O-N 3.14Å; F658-C660 VanDerWaalsContact C-N 3.34Å; F658-C660 PolarHBondContact O-N 3.44Å; F658-T661 PolarHBondContact O-N 3.26Å; F658-Y662 VanDerWaalsContact O-CB 3.28Å; F658-Y662 WeakPolarHBondContact O-CB 3.48Å; F658-Y662 PolarHBondContact O-N 3.01Å; F658-L733 HydrophobicContact CD2-CD2 3.56Å; F658-L733 HydrophobicContact CE2-CB 4.5Å; F658-L733 HydrophobicContact CE2-CD2 3.85Å; F658-L733 HydrophobicContact CG-CD2 4.16Å; F658-L736 HydrophobicContact CB-CB 4.32Å; F658-L736 HydrophobicContact CB-CD1 4.07Å; F658-L736 HydrophobicContact CD2-CB 4.21Å; F658-K737 HydrophobicContact CE2-CB 4.37Å; F658-L824 HydrophobicContact CE2-CD1 3.76Å; F658-L824 HydrophobicContact CZ-CD1 3.51Å
659E94.2Very high94.8Very high112 Ų11258.8 Ų58.852%0.52331%0.308SS..Hα-helixtrans-67.1-31.6178.8-70.5-179164.100112.7L655 A656 P663L655-E659 HydrophobicContact CD1-CG 4.27Å; L655-E659 WeakPolarHBondContact O-CG 3.47Å; L655-E659 PolarHBondContact O-N 2.91Å; A656-E659 PolarHBondContact O-N 3.49Å; E659-P663 WeakPolarHBondContact O-CD 3.3Å; E659-P663 WeakPolarHBondContact O-CG 3.33Å
660C95.1Very high94.7Very high92 Ų9256 Ų5662%0.62230%0.295SS*.Hα-helixtrans-75.8-41.1172.6-172.40000112.7A656 E657 F658A656-C660 VanDerWaalsContact O-CB 3.29Å; A656-C660 WeakPolarHBondContact O-CB 3.29Å; A656-C660 PolarHBondContact O-N 2.92Å; E657-C660 PolarHBondContact O-N 2.86Å; F658-C660 VanDerWaalsContact C-N 3.34Å; F658-C660 PolarHBondContact O-N 3.44Å
661T94.7Very high94.4Very high11 Ų1157.2 Ų57.27%0.06731%0.307CS..Hα-helixtrans-71.1-40.9-178-65.10000112.1E657 F658 T664 Y665 M729 K732 L733E657-T661 WeakPolarHBondContact O-CB 3.5Å; E657-T661 PolarHBondContact O-N 2.94Å; E657-T661 PolarHBondContact O-OG1 2.92Å; E657-T661 PolarHBondContact OE1-OG1 3.29Å; F658-T661 PolarHBondContact O-N 3.26Å; T661-T664 PolarHBondContact O-N 3.38Å; T661-Y665 PolarHBondContact O-N 3.32Å; T661-Y665 VanDerWaalsContact O-N 3.11Å; T661-M729 HydrophobicContact CG2-CB 4.48Å; T661-M729 HydrophobicContact CG2-CE 3.53Å; T661-M729 HydrophobicContact CG2-CG 4.49Å; T661-M729 WeakPolarHBondContact O-CE 3.39Å; T661-K732 HydrophobicContact CG2-CD 4.24Å; T661-L733 HydrophobicContact CG2-CD1 4.1Å; T661-L733 HydrophobicContact CG2-CD2 3.73Å; T661-L733 HydrophobicContact CG2-CG 3.71Å
662Y96.3Very high94.1Very high28 Ų2857.5 Ų57.511%0.1131%0.306CS..Hα-helixtrans-61.2-43.4-169.9-179.3-111.8000115.1F658 T664 Y665 L666 L733 Q823 L824F658-Y662 VanDerWaalsContact O-CB 3.28Å; F658-Y662 WeakPolarHBondContact O-CB 3.48Å; F658-Y662 PolarHBondContact O-N 3.01Å; Y662-T664 VanDerWaalsContact C-N 3.33Å; Y662-T664 PolarHBondContact O-N 3.12Å; Y662-Y665 AromaticContact CD2-CD1 3.81Å; Y662-Y665 HydrophobicContact CD2-CD1 3.81Å; Y662-Y665 HydrophobicContact CD2-CE1 4.36Å; Y662-Y665 AromaticContact CE2-CD1 3.9Å; Y662-Y665 HydrophobicContact CE2-CD1 3.9Å; Y662-Y665 HydrophobicContact CE2-CE1 4.03Å; Y662-Y665 WeakPolarHBondContact O-CB 3.36Å; Y662-Y665 PolarHBondContact O-N 3.41Å; Y662-L666 WeakPolarHBondContact O-CB 3.48Å; Y662-L666 PolarHBondContact O-N 2.85Å; Y662-L733 HydrophobicContact CD2-CD1 4.19Å; Y662-Q823 WeakPolarHBondContact OH-CG 3.01Å; Y662-L824 HydrophobicContact CD2-CD1 4.44Å; Y662-L824 HydrophobicContact CD2-CD2 4.38Å; Y662-L824 HydrophobicContact CE2-CD1 4.27Å; Y662-L824 HydrophobicContact CE2-CD2 3.78Å; Y662-L824 HydrophobicContact CE2-CG 3.91Å
663P96.2Very high93.8Very high72 Ų7255.5 Ų55.547%0.46829%0.292SS..Hα-helixtrans-62.5-35.3177.2-2535.3000114E659 R667E659-P663 WeakPolarHBondContact O-CD 3.3Å; E659-P663 WeakPolarHBondContact O-CG 3.33Å; P663-R667 WeakPolarHBondContact O-CB 3.5Å; P663-R667 PolarHBondContact O-N 3.16Å
664T94.4Very high93.3Very high42 Ų4253.5 Ų53.526%0.25828%0.284SS..Hα-helixtrans-73.1-39.1176.9-70.50000111.2T661 Y662 L666 R667 M668 M729T661-T664 PolarHBondContact O-N 3.38Å; Y662-T664 VanDerWaalsContact C-N 3.33Å; Y662-T664 PolarHBondContact O-N 3.12Å; T664-L666 PolarHBondContact O-N 3.13Å; T664-R667 PolarHBondContact O-N 3.17Å; T664-R667 PolarHBondContact OG1-NH2 2.89Å; T664-M668 HydrophobicContact CG2-SD 4.43Å; T664-M668 WeakPolarHBondContact O-CG 3.22Å; T664-M668 PolarHBondContact O-N 2.63Å; T664-M729 HydrophobicContact CG2-CE 3.71Å; T664-M729 HydrophobicContact CG2-SD 4.05Å
665Y96.7Very high92.8Very high14 Ų1454.9 Ų54.96%0.05529%0.291CS..Hα-helixtrans-56.8-49170.5156.5-102.1000111.1T661 Y662 R667 M668 Y669 L726 V730 L733 L824T661-Y665 PolarHBondContact O-N 3.32Å; T661-Y665 VanDerWaalsContact O-N 3.11Å; Y662-Y665 AromaticContact CD2-CD1 3.81Å; Y662-Y665 HydrophobicContact CD2-CD1 3.81Å; Y662-Y665 HydrophobicContact CD2-CE1 4.36Å; Y662-Y665 AromaticContact CE2-CD1 3.9Å; Y662-Y665 HydrophobicContact CE2-CD1 3.9Å; Y662-Y665 HydrophobicContact CE2-CE1 4.03Å; Y662-Y665 WeakPolarHBondContact O-CB 3.36Å; Y662-Y665 PolarHBondContact O-N 3.41Å; Y665-R667 PolarHBondContact O-N 2.83Å; Y665-M668 PolarHBondContact O-N 3.03Å; Y665-Y669 WeakPolarHBondContact O-CB 3.48Å; Y665-Y669 PolarHBondContact O-N 2.95Å; Y665-L726 HydrophobicContact CD2-CD1 3.65Å; Y665-L726 HydrophobicContact CE2-CD1 3.91Å; Y665-V730 HydrophobicContact CD2-CG2 3.9Å; Y665-V730 HydrophobicContact CE2-CG2 3.41Å; Y665-V730 VanDerWaalsContact CE2-CG2 3.41Å; Y665-L733 HydrophobicContact CD1-CD1 3.77Å; Y665-L733 HydrophobicContact CD2-CD1 4.31Å; Y665-L733 HydrophobicContact CG-CD1 3.6Å; Y665-L824 HydrophobicContact CE1-CD2 4.47Å
666L94.6Very high92.3Very high49 Ų4958 Ų5826%0.25730%0.3SS..Hα-helixtrans-63.2-40.8-178-170.765.8000112.1Y662 T664 Y669 H670Y662-L666 WeakPolarHBondContact O-CB 3.48Å; Y662-L666 PolarHBondContact O-N 2.85Å; T664-L666 PolarHBondContact O-N 3.13Å; L666-Y669 PolarHBondContact O-N 3.14Å; L666-H670 WeakPolarHBondContact CD1-NE2 3.45Å; L666-H670 PolarHBondContact O-CD2 3.02Å; L666-H670 VanDerWaalsContact O-CD2 3.32Å; L666-H670 PolarHBondContact O-N 3.18Å
667R93.5Very high91.9Very high160 Ų16060.7 Ų60.760%0.60430%0.3SS*.Hα-helixtrans-61.1-45174.6-176.9177.266.5-119.1-3.4112.1P663 T664 Y665 S671P663-R667 WeakPolarHBondContact O-CB 3.5Å; P663-R667 PolarHBondContact O-N 3.16Å; T664-R667 PolarHBondContact O-N 3.17Å; T664-R667 PolarHBondContact OG1-NH2 2.89Å; Y665-R667 PolarHBondContact O-N 2.83Å; R667-S671 PolarHBondContact O-N 3.49Å
668M92.6Very high91.6Very high22 Ų2260.7 Ų60.711%0.10830%0.304CS..Hα-helixtrans-66.4-48.7176.7-67.7-177.477.200110.8T664 Y665 H670 S671 F672 D722 Q725 L726 M729T664-M668 HydrophobicContact CG2-SD 4.43Å; T664-M668 WeakPolarHBondContact O-CG 3.22Å; T664-M668 PolarHBondContact O-N 2.63Å; Y665-M668 PolarHBondContact O-N 3.03Å; M668-H670 VanDerWaalsContact C-N 3.32Å; M668-H670 PolarHBondContact O-N 2.68Å; M668-S671 WeakPolarHBondContact O-CA 3.27Å; M668-S671 VanDerWaalsContact O-CB 3.27Å; M668-S671 WeakPolarHBondContact O-CB 3.3Å; M668-S671 PolarHBondContact O-N 3.18Å; M668-F672 WeakPolarHBondContact O-CD2 3.38Å; M668-F672 PolarHBondContact O-N 3.09Å; M668-D722 HydrophobicContact CE-CB 3.95Å; M668-D722 WeakPolarHBondContact CE-O 3.41Å; M668-Q725 HydrophobicContact CE-CB 4.08Å; M668-Q725 HydrophobicContact CE-CG 4.06Å; M668-Q725 HydrophobicContact SD-CG 4.11Å; M668-L726 HydrophobicContact CB-CD1 3.85Å; M668-M729 HydrophobicContact SD-SD 4.07Å
669Y91.3Very high91.2Very high47 Ų4760.8 Ų60.818%0.18431%0.306CS..Hα-helixtrans-54.5-43.8179.9177.4-114.6000113Y665 L666 F672 S673 Y831Y665-Y669 WeakPolarHBondContact O-CB 3.48Å; Y665-Y669 PolarHBondContact O-N 2.95Å; L666-Y669 PolarHBondContact O-N 3.14Å; Y669-F672 PolarHBondContact O-N 2.99Å; Y669-S673 WeakPolarHBondContact O-CB 3.41Å; Y669-S673 PolarHBondContact O-N 2.97Å; Y669-Y831 AromaticContact CE2-CE2 3.82Å; Y669-Y831 HydrophobicContact CE2-CE2 3.82Å
670H90.4Very high91Very high90 Ų9058.7 Ų58.742%0.41730%0.303SS..Hα-helixtrans-65.1-39.4175-69.5-36.2000112.9L666 M668 F672 S673 D674L666-H670 WeakPolarHBondContact CD1-NE2 3.45Å; L666-H670 PolarHBondContact O-CD2 3.02Å; L666-H670 VanDerWaalsContact O-CD2 3.32Å; L666-H670 PolarHBondContact O-N 3.18Å; M668-H670 VanDerWaalsContact C-N 3.32Å; M668-H670 PolarHBondContact O-N 2.68Å; H670-F672 PolarHBondContact O-N 3.41Å; H670-S673 WeakPolarHBondContact O-CB 3.27Å; H670-S673 PolarHBondContact O-N 3.14Å; H670-S673 VanDerWaalsContact O-N 3.13Å; H670-D674 PolarHBondContact O-N 3.34Å
671S88.2Confident90.8Very high60 Ų6058.6 Ų58.642%0.4230%0.297SS..Hα-helixtrans-57.4-47.7173.7-170.70000112.2R667 M668 S673 D674 I675R667-S671 PolarHBondContact O-N 3.49Å; M668-S671 WeakPolarHBondContact O-CA 3.27Å; M668-S671 VanDerWaalsContact O-CB 3.27Å; M668-S671 WeakPolarHBondContact O-CB 3.3Å; M668-S671 PolarHBondContact O-N 3.18Å; S671-S673 PolarHBondContact O-N 3.04Å; S671-D674 PolarHBondContact O-N 3.46Å; S671-I675 VanDerWaalsContact O-CG1 3.32Å; S671-I675 WeakPolarHBondContact O-CG1 3.36Å; S671-I675 PolarHBondContact O-N 2.9Å; S671-I675 VanDerWaalsContact O-N 3.07Å
672F88Confident90.7Very high20 Ų2058.6 Ų58.69%0.08830%0.296CS..Hα-helixtrans-62.5-40.9173.7-79.2-85.6000112.1M668 Y669 H670 D674 I675 W676 Y719 D722 E723 L726M668-F672 WeakPolarHBondContact O-CD2 3.38Å; M668-F672 PolarHBondContact O-N 3.09Å; Y669-F672 PolarHBondContact O-N 2.99Å; H670-F672 PolarHBondContact O-N 3.41Å; F672-D674 PolarHBondContact O-N 2.99Å; F672-I675 PolarHBondContact O-N 3.07Å; F672-W676 PolarHBondContact O-N 3.48Å; F672-W676 VanDerWaalsContact O-N 3.09Å; F672-Y719 HydrophobicContact CD1-CE1 4.49Å; F672-Y719 AromaticContact CD1-CE2 3.67Å; F672-Y719 HydrophobicContact CD1-CE2 3.67Å; F672-Y719 AromaticContact CD1-CZ 3.63Å; F672-Y719 WeakPolarHBondContact CD1-OH 3.39Å; F672-Y719 HydrophobicContact CE1-CD1 4.35Å; F672-Y719 AromaticContact CE1-CD2 3.94Å; F672-Y719 HydrophobicContact CE1-CD2 3.94Å; F672-Y719 AromaticContact CE1-CE1 3.87Å; F672-Y719 HydrophobicContact CE1-CE1 3.87Å; F672-Y719 AromaticContact CE1-CE2 3.42Å; F672-Y719 HydrophobicContact CE1-CE2 3.42Å; F672-Y719 VanDerWaalsContact CE1-CE2 3.42Å; F672-Y719 HydrophobicContact CE1-CG 4.39Å; F672-Y719 AromaticContact CE1-CZ 3.39Å; F672-Y719 HydrophobicContact CZ-CE2 4.41Å; F672-D722 HydrophobicContact CE2-CB 4.07Å; F672-D722 HydrophobicContact CZ-CB 3.77Å; F672-E723 HydrophobicContact CE1-CB 4.06Å; F672-E723 HydrophobicContact CZ-CB 3.97Å; F672-L726 HydrophobicContact CD2-CD2 3.81Å; F672-L726 HydrophobicContact CE2-CB 4.42Å; F672-L726 HydrophobicContact CE2-CD2 4.13Å; F672-L726 HydrophobicContact CG-CD2 4.29Å
673S85.5Confident90.5Very high33 Ų3362.5 Ų62.523%0.23131%0.311CS..Hα-helixtrans-61-43.1177.2-168.70000112.2Y669 H670 S671 W676 K677Y669-S673 WeakPolarHBondContact O-CB 3.41Å; Y669-S673 PolarHBondContact O-N 2.97Å; H670-S673 WeakPolarHBondContact O-CB 3.27Å; H670-S673 PolarHBondContact O-N 3.14Å; H670-S673 VanDerWaalsContact O-N 3.13Å; S671-S673 PolarHBondContact O-N 3.04Å; S673-W676 PolarHBondContact O-N 3.39Å; S673-K677 VanDerWaalsContact O-CG 3.29Å; S673-K677 WeakPolarHBondContact O-CG 3.5Å; S673-K677 PolarHBondContact O-N 3.47Å; S673-K677 WeakPolarHBondContact OG-CE 3.41Å; S673-K677 PolarHBondContact OG-NZ 2.93Å
674D86Confident90.3Very high82 Ų8262.3 Ų62.344%0.43931%0.311SS..Hα-helixtrans-72-36.5-179-67.2-27.6000112H670 S671 F672 W676 K677 T678H670-D674 PolarHBondContact O-N 3.34Å; S671-D674 PolarHBondContact O-N 3.46Å; F672-D674 PolarHBondContact O-N 2.99Å; D674-W676 PolarHBondContact O-N 2.94Å; D674-K677 PolarHBondContact O-N 3.48Å; D674-K677 WeakPolarHBondContact OD1-CD 3.25Å; D674-K677 IonicContact OD1-NZ 3.59Å; D674-K677 PolarHBondContact OD1-NZ 3.12Å; D674-T678 PolarHBondContact O-N 3.28Å; D674-T678 PolarHBondContact O-OG1 2.84Å; D674-T678 VanDerWaalsContact O-OG1 3.09Å
675I85.3Confident90.2Very high41 Ų4164.6 Ų64.621%0.2132%0.319CS..Hα-helixtrans-54.4-51.6167.8-74.1170.1000110.6S671 F672 K677 T678 V679 F710 Y719S671-I675 VanDerWaalsContact O-CG1 3.32Å; S671-I675 WeakPolarHBondContact O-CG1 3.36Å; S671-I675 PolarHBondContact O-N 2.9Å; S671-I675 VanDerWaalsContact O-N 3.07Å; F672-I675 PolarHBondContact O-N 3.07Å; I675-K677 PolarHBondContact O-N 3.38Å; I675-T678 PolarHBondContact O-N 3.42Å; I675-V679 WeakPolarHBondContact O-CG2 3.22Å; I675-V679 PolarHBondContact O-N 3.13Å; I675-F710 HydrophobicContact CB-CE1 4.12Å; I675-F710 HydrophobicContact CB-CZ 4.49Å; I675-F710 HydrophobicContact CG1-CE1 4.35Å; I675-F710 HydrophobicContact CG1-CZ 4.34Å; I675-F710 HydrophobicContact CG2-CE1 3.72Å; I675-F710 WeakPolarHBondContact O-CE1 3.47Å; I675-Y719 HydrophobicContact CD1-CD2 4.31Å; I675-Y719 HydrophobicContact CD1-CE2 3.97Å; I675-Y719 HydrophobicContact CG2-CE2 4.15Å
676W85.1Confident89.9Confident123 Ų12365.5 Ų65.547%0.46633%0.325SS..Hα-helixtrans-69.9-31-179.4-76111.6000113.9F672 S673 D674 V679 S680 Y719F672-W676 PolarHBondContact O-N 3.48Å; F672-W676 VanDerWaalsContact O-N 3.09Å; S673-W676 PolarHBondContact O-N 3.39Å; D674-W676 PolarHBondContact O-N 2.94Å; W676-V679 HydrophobicContact CE3-CB 4.12Å; W676-V679 HydrophobicContact CE3-CG1 4.07Å; W676-V679 HydrophobicContact CE3-CG2 4.37Å; W676-V679 HydrophobicContact CZ3-CG1 4.04Å; W676-V679 PolarHBondContact O-N 3.25Å; W676-S680 VanDerWaalsContact O-CB 3.31Å; W676-S680 WeakPolarHBondContact O-CB 3.4Å; W676-S680 PolarHBondContact O-N 3.36Å; W676-Y719 PolarHBondContact NE1-OH 3.36Å
677K88.8Confident89.8Confident112 Ų11268 Ų6849%0.48734%0.337SS..Hα-helixtrans-60.8-44.1169-71.5165.7-151.4159.90111.1S673 D674 I675 S680 N681S673-K677 VanDerWaalsContact O-CG 3.29Å; S673-K677 WeakPolarHBondContact O-CG 3.5Å; S673-K677 PolarHBondContact O-N 3.47Å; S673-K677 WeakPolarHBondContact OG-CE 3.41Å; S673-K677 PolarHBondContact OG-NZ 2.93Å; D674-K677 PolarHBondContact O-N 3.48Å; D674-K677 WeakPolarHBondContact OD1-CD 3.25Å; D674-K677 IonicContact OD1-NZ 3.59Å; D674-K677 PolarHBondContact OD1-NZ 3.12Å; I675-K677 PolarHBondContact O-N 3.38Å; K677-S680 PolarHBondContact O-N 3.47Å; K677-N681 VanDerWaalsContact O-CB 3.3Å; K677-N681 WeakPolarHBondContact O-CB 3.35Å; K677-N681 PolarHBondContact O-N 2.93Å
678T89.5Confident89.7Confident53 Ų5364.3 Ų64.333%0.32533%0.327SS..Hα-helixtrans-63.7-45.1177.5-57.70000111.8D674 I675 S680 N681 L682 F710D674-T678 PolarHBondContact O-N 3.28Å; D674-T678 PolarHBondContact O-OG1 2.84Å; D674-T678 VanDerWaalsContact O-OG1 3.09Å; I675-T678 PolarHBondContact O-N 3.42Å; T678-S680 VanDerWaalsContact C-N 3.35Å; T678-S680 PolarHBondContact O-N 3Å; T678-N681 PolarHBondContact O-N 3.43Å; T678-L682 HydrophobicContact CG2-CD1 4.03Å; T678-L682 HydrophobicContact CG2-CG 4.46Å; T678-L682 WeakPolarHBondContact O-CB 3.39Å; T678-L682 WeakPolarHBondContact O-CG 3.26Å; T678-L682 PolarHBondContact O-N 3.42Å; T678-F710 HydrophobicContact CG2-CD2 4.04Å; T678-F710 HydrophobicContact CG2-CE1 4.15Å; T678-F710 HydrophobicContact CG2-CE2 3.59Å; T678-F710 HydrophobicContact CG2-CZ 3.64Å
679V89.3Confident89.6Confident14 Ų1463.7 Ų63.79%0.08533%0.326CS..Hα-helixtrans-58.3-45.5174173.20000111.5I675 W676 R683 L707 F710I675-V679 WeakPolarHBondContact O-CG2 3.22Å; I675-V679 PolarHBondContact O-N 3.13Å; W676-V679 HydrophobicContact CE3-CB 4.12Å; W676-V679 HydrophobicContact CE3-CG1 4.07Å; W676-V679 HydrophobicContact CE3-CG2 4.37Å; W676-V679 HydrophobicContact CZ3-CG1 4.04Å; W676-V679 PolarHBondContact O-N 3.25Å; V679-R683 VanDerWaalsContact O-CB 3.26Å; V679-R683 WeakPolarHBondContact O-CB 3.34Å; V679-R683 PolarHBondContact O-N 2.91Å; V679-L707 HydrophobicContact CG1-CD1 4.01Å; V679-F710 HydrophobicContact CG2-CD1 3.5Å; V679-F710 VanDerWaalsContact CG2-CD1 3.5Å; V679-F710 HydrophobicContact CG2-CE1 3.89Å
680S89.2Confident89.6Confident67 Ų6762.7 Ų62.747%0.46932%0.324SS..Hα-helixtrans-65.8-40.1179.8-169.90000112.8W676 K677 T678 S684W676-S680 VanDerWaalsContact O-CB 3.31Å; W676-S680 WeakPolarHBondContact O-CB 3.4Å; W676-S680 PolarHBondContact O-N 3.36Å; K677-S680 PolarHBondContact O-N 3.47Å; T678-S680 VanDerWaalsContact C-N 3.35Å; T678-S680 PolarHBondContact O-N 3Å; S680-S684 WeakPolarHBondContact O-CB 3.48Å; S680-S684 PolarHBondContact O-N 3.48Å; S680-S684 PolarHBondContact O-OG 3.03Å
681N92.1Very high89.6Confident91 Ų9167 Ų6749%0.48734%0.337SS..Hα-helixtrans-68-49.8177.6-168.7-27.6000111.1K677 T678 R683 S684 Q685K677-N681 VanDerWaalsContact O-CB 3.3Å; K677-N681 WeakPolarHBondContact O-CB 3.35Å; K677-N681 PolarHBondContact O-N 2.93Å; T678-N681 PolarHBondContact O-N 3.43Å; N681-R683 VanDerWaalsContact C-N 3.29Å; N681-R683 PolarHBondContact O-N 3.33Å; N681-S684 PolarHBondContact O-N 3.42Å; N681-Q685 PolarHBondContact O-N 3.18Å; N681-Q685 PolarHBondContact OD1-NE2 3.24Å
682L91.9Very high89.7Confident11 Ų1168.7 Ų68.76%0.05835%0.345CS..Hα-helixtrans-58.1-40.1174.7-75.4172.5000112.1T678 L686 L703 Q706 L707T678-L682 HydrophobicContact CG2-CD1 4.03Å; T678-L682 HydrophobicContact CG2-CG 4.46Å; T678-L682 WeakPolarHBondContact O-CB 3.39Å; T678-L682 WeakPolarHBondContact O-CG 3.26Å; T678-L682 PolarHBondContact O-N 3.42Å; L682-L686 VanDerWaalsContact O-CB 3.24Å; L682-L686 WeakPolarHBondContact O-CB 3.29Å; L682-L686 PolarHBondContact O-N 3.25Å; L682-L703 HydrophobicContact CD2-CD2 4.17Å; L682-Q706 HydrophobicContact CD1-CB 4.24Å; L682-Q706 HydrophobicContact CD2-CB 4.04Å; L682-L707 HydrophobicContact CB-CB 4.36Å; L682-L707 HydrophobicContact CB-CD1 4.02Å
683R91.3Very high89.6Confident109 Ų10972.7 Ų72.741%0.41136%0.364SS..Hα-helixtrans-65.1-39174.2176.2173.6167.9151.3-6.1112.7H578 V679 N681 L687 L707H578-R683 PolarHBondContact CE1-NH2 2.89Å; H578-R683 PolarHBondContact NE2-NH2 3.49Å; V679-R683 VanDerWaalsContact O-CB 3.26Å; V679-R683 WeakPolarHBondContact O-CB 3.34Å; V679-R683 PolarHBondContact O-N 2.91Å; N681-R683 VanDerWaalsContact C-N 3.29Å; N681-R683 PolarHBondContact O-N 3.33Å; R683-L687 HydrophobicContact CG-CD1 4.15Å; R683-L687 WeakPolarHBondContact O-CB 3.39Å; R683-L687 VanDerWaalsContact O-CG 3.28Å; R683-L687 WeakPolarHBondContact O-CG 3.48Å; R683-L687 PolarHBondContact O-N 3.4Å; R683-L707 HydrophobicContact CB-CD2 4.34Å
684S92.3Very high89.6Confident68 Ų6872.3 Ų72.348%0.47637%0.365SS..Hα-helixtrans-67.9-44.7175.9-61.90000111.8S680 N681 L686 L687 E688S680-S684 WeakPolarHBondContact O-CB 3.48Å; S680-S684 PolarHBondContact O-N 3.48Å; S680-S684 PolarHBondContact O-OG 3.03Å; N681-S684 PolarHBondContact O-N 3.42Å; S684-L686 PolarHBondContact O-N 3.09Å; S684-L687 PolarHBondContact O-N 3.14Å; S684-E688 PolarHBondContact O-N 3.21Å
685Q92.3Very high89.5Confident91 Ų9172.6 Ų72.643%0.42536%0.362SS..Hα-helixtrans-60.3-44.4173.9-72.6-177.953.400111.6N681 L687 E688 A689 L703N681-Q685 PolarHBondContact O-N 3.18Å; N681-Q685 PolarHBondContact OD1-NE2 3.24Å; Q685-L687 PolarHBondContact O-N 3Å; Q685-E688 PolarHBondContact O-N 3.13Å; Q685-A689 WeakPolarHBondContact O-CB 3.3Å; Q685-A689 PolarHBondContact O-N 3.34Å; Q685-L703 HydrophobicContact CB-CD1 4.07Å; Q685-L703 HydrophobicContact CB-CD2 3.88Å
686L91.8Very high89.5Confident33 Ų3378.3 Ų78.317%0.17339%0.393CS..Hα-helixtrans-60.8-44.6176.8179.761000111.6L682 S684 E688 A689 T690 T700 L703 A704 L707L682-L686 VanDerWaalsContact O-CB 3.24Å; L682-L686 WeakPolarHBondContact O-CB 3.29Å; L682-L686 PolarHBondContact O-N 3.25Å; S684-L686 PolarHBondContact O-N 3.09Å; L686-E688 VanDerWaalsContact C-N 3.32Å; L686-E688 PolarHBondContact O-N 2.7Å; L686-A689 PolarHBondContact O-N 3.3Å; L686-T690 HydrophobicContact CD1-CG2 4.24Å; L686-T690 WeakPolarHBondContact O-CB 3.37Å; L686-T690 WeakPolarHBondContact O-CG2 3.44Å; L686-T690 PolarHBondContact O-N 2.63Å; L686-T690 PolarHBondContact O-OG1 2.75Å; L686-T690 VanDerWaalsContact O-OG1 3.13Å; L686-T700 HydrophobicContact CD1-CG2 3.89Å; L686-T700 WeakPolarHBondContact CD1-O 3.44Å; L686-L703 HydrophobicContact CB-CB 4.25Å; L686-L703 HydrophobicContact CD1-CB 4.02Å; L686-A704 HydrophobicContact CD1-CB 4.06Å; L686-A704 HydrophobicContact CD2-CB 4.26Å; L686-L707 HydrophobicContact CD2-CD2 3.86Å
687L91.3Very high89.8Confident100 Ų10073.6 Ų73.652%0.52438%0.379SS..Hα-helixtrans-62.6-38.1176.9-76.1167.4000112.3R683 S684 Q685 T690 R691R683-L687 HydrophobicContact CG-CD1 4.15Å; R683-L687 WeakPolarHBondContact O-CB 3.39Å; R683-L687 VanDerWaalsContact O-CG 3.28Å; R683-L687 WeakPolarHBondContact O-CG 3.48Å; R683-L687 PolarHBondContact O-N 3.4Å; S684-L687 PolarHBondContact O-N 3.14Å; Q685-L687 PolarHBondContact O-N 3Å; L687-T690 WeakPolarHBondContact CA-OG1 3.24Å; L687-T690 PolarHBondContact O-OG1 2.93Å; L687-R691 PolarHBondContact O-N 2.85Å
688E91.2Very high89.9Confident84 Ų8472.2 Ų72.239%0.39339%0.388SS..Hα-helixtrans-73-45.3177.1-156.159.8-13200112S684 Q685 L686 T690 R691 T692S684-E688 PolarHBondContact O-N 3.21Å; Q685-E688 PolarHBondContact O-N 3.13Å; L686-E688 VanDerWaalsContact C-N 3.32Å; L686-E688 PolarHBondContact O-N 2.7Å; E688-T690 VanDerWaalsContact C-N 3.27Å; E688-T690 PolarHBondContact O-N 3.34Å; E688-R691 WeakPolarHBondContact O-CA 3.48Å; E688-R691 WeakPolarHBondContact O-CB 3.4Å; E688-R691 PolarHBondContact O-N 3.23Å; E688-R691 IonicContact OE1-CZ 2.73Å; E688-R691 IonicContact OE1-NE 3.28Å; E688-R691 IonicContact OE1-NH1 3.55Å; E688-R691 PolarHBondContact OE1-NH1 3.24Å; E688-R691 IonicContact OE2-CZ 3.18Å; E688-R691 IonicContact OE2-NH1 2.82Å; E688-R691 PolarHBondContact OE2-NH1 3.46Å; E688-T692 HydrophobicContact CG-CG2 4.47Å; E688-T692 PolarHBondContact O-N 2.94Å; E688-T692 PolarHBondContact O-OG1 3.24Å
689A91.3Very high90Very high9 Ų972.2 Ų72.27%0.07439%0.388CS..Hα-helixtrans-57.1-40.1174.700000112Q685 L686 R691 T692 E693 G694 L703Q685-A689 WeakPolarHBondContact O-CB 3.3Å; Q685-A689 PolarHBondContact O-N 3.34Å; L686-A689 PolarHBondContact O-N 3.3Å; A689-R691 PolarHBondContact O-N 3.23Å; A689-T692 PolarHBondContact O-N 3.09Å; A689-E693 PolarHBondContact O-N 3.24Å; A689-G694 PolarHBondContact O-N 3.02Å; A689-L703 HydrophobicContact CB-CD1 3.72Å
690T91Very high90.2Very high26 Ų2671.9 Ų71.916%0.1639%0.387CS..Hα-helixtrans-66.3-17174.159.30000114.7L686 L687 E688 F695 T700L686-T690 HydrophobicContact CD1-CG2 4.24Å; L686-T690 WeakPolarHBondContact O-CB 3.37Å; L686-T690 WeakPolarHBondContact O-CG2 3.44Å; L686-T690 PolarHBondContact O-N 2.63Å; L686-T690 PolarHBondContact O-OG1 2.75Å; L686-T690 VanDerWaalsContact O-OG1 3.13Å; L687-T690 WeakPolarHBondContact CA-OG1 3.24Å; L687-T690 PolarHBondContact O-OG1 2.93Å; E688-T690 VanDerWaalsContact C-N 3.27Å; E688-T690 PolarHBondContact O-N 3.34Å; T690-F695 HydrophobicContact CG2-CD1 3.71Å; T690-F695 HydrophobicContact CG2-CE1 3.39Å; T690-F695 HydrophobicContact CG2-CZ 4.25Å; T690-T700 HydrophobicContact CG2-CG2 3.53Å
691R89.7Confident90.3Very high180 Ų18071.8 Ų71.868%0.67938%0.383SS*.Hα-helixtrans-90.3-39.8172.5-173.7-170-65.2138.14.5111.8L687 E688 A689L687-R691 PolarHBondContact O-N 2.85Å; E688-R691 WeakPolarHBondContact O-CA 3.48Å; E688-R691 WeakPolarHBondContact O-CB 3.4Å; E688-R691 PolarHBondContact O-N 3.23Å; E688-R691 IonicContact OE1-CZ 2.73Å; E688-R691 IonicContact OE1-NE 3.28Å; E688-R691 IonicContact OE1-NH1 3.55Å; E688-R691 PolarHBondContact OE1-NH1 3.24Å; E688-R691 IonicContact OE2-CZ 3.18Å; E688-R691 IonicContact OE2-NH1 2.82Å; E688-R691 PolarHBondContact OE2-NH1 3.46Å; A689-R691 PolarHBondContact O-N 3.23Å
692T90.5Very high90.5Very high95 Ų9572.8 Ų72.858%0.58339%0.385SS*.Hα-helixtrans-89.3-37.6-171.755.20000114E688 A689E688-T692 HydrophobicContact CG-CG2 4.47Å; E688-T692 PolarHBondContact O-N 2.94Å; E688-T692 PolarHBondContact O-OG1 3.24Å; A689-T692 PolarHBondContact O-N 3.09Å
693E87.4Confident90.6Very high105 Ų10573.2 Ų73.249%0.49139%0.387SS..THydrogen-bonded Turntrans-118.4-7.5-175-60.7-179.6-140.800113.2A689 S697 T699A689-E693 PolarHBondContact O-N 3.24Å; E693-S697 PolarHBondContact OE2-OG 3.13Å; E693-T699 PolarHBondContact OE1-OG1 3.42Å; E693-T699 WeakPolarHBondContact OE2-CB 3.39Å; E693-T699 WeakPolarHBondContact OE2-CG2 3.3Å; E693-T699 PolarHBondContact OE2-OG1 3.09Å
694G83.9Confident90.6Very high24 Ų2469.9 Ų69.925%0.24738%0.383CS..  trans81.8-170.3-18000000114A689 T700A689-G694 PolarHBondContact O-N 3.02Å; G694-T700 WeakPolarHBondContact O-CB 3.44Å; G694-T700 PolarHBondContact O-OG1 2.87Å
695F85.2Confident90.6Very high89 Ų8971.3 Ų71.339%0.3939%0.385SS..SBendtrans-83-37.6-169.6-64-74.5000113.1R576 T690 S697 T700R576-F695 VanDerWaalsContact NH1-CE1 3.33Å; R576-F695 VanDerWaalsContact NH2-CD1 3.31Å; T690-F695 HydrophobicContact CG2-CD1 3.71Å; T690-F695 HydrophobicContact CG2-CE1 3.39Å; T690-F695 HydrophobicContact CG2-CZ 4.25Å; F695-S697 VanDerWaalsContact C-N 3.3Å; F695-S697 PolarHBondContact O-N 3.37Å; F695-T700 WeakPolarHBondContact O-CG2 3.47Å
696D84.4Confident90.6Very high161 Ų16170.6 Ų70.686%0.86138%0.382SS*.SBendtrans-87.54.5-175.3-48.5-69000113.2
697S90.7Very high90.6Very high24 Ų2470 Ų7017%0.16838%0.379CS..  trans-63.5142.9173.71800000111.3E693 F695 T699 T700 T701E693-S697 PolarHBondContact OE2-OG 3.13Å; F695-S697 VanDerWaalsContact C-N 3.3Å; F695-S697 PolarHBondContact O-N 3.37Å; S697-T699 PolarHBondContact O-N 2.93Å; S697-T699 PolarHBondContact OG-N 3.41Å; S697-T699 VanDerWaalsContact OG-N 3.16Å; S697-T699 PolarHBondContact OG-OG1 3.42Å; S697-T699 VanDerWaalsContact OG-OG1 3.08Å; S697-T700 PolarHBondContact O-N 3.48Å; S697-T701 WeakPolarHBondContact O-CB 3.41Å; S697-T701 PolarHBondContact O-N 3.42Å; S697-T701 PolarHBondContact O-OG1 3.35Å
698A92.3Very high90.5Very high82 Ų8268 Ų6868%0.67837%0.369SS*.Hα-helixtrans-58.5-31.6170.700000112.1H702A698-H702 WeakPolarHBondContact O-CB 3.47Å; A698-H702 PolarHBondContact O-N 3.06Å
699T91.5Very high90.4Very high53 Ų5371.9 Ų71.933%0.32538%0.384SS..Hα-helixtrans-71.2-5017866.10000111.2E693 S697 T701 H702 L703E693-T699 PolarHBondContact OE1-OG1 3.42Å; E693-T699 WeakPolarHBondContact OE2-CB 3.39Å; E693-T699 WeakPolarHBondContact OE2-CG2 3.3Å; E693-T699 PolarHBondContact OE2-OG1 3.09Å; S697-T699 PolarHBondContact O-N 2.93Å; S697-T699 PolarHBondContact OG-N 3.41Å; S697-T699 VanDerWaalsContact OG-N 3.16Å; S697-T699 PolarHBondContact OG-OG1 3.42Å; S697-T699 VanDerWaalsContact OG-OG1 3.08Å; T699-T701 VanDerWaalsContact C-N 3.32Å; T699-T701 PolarHBondContact O-N 2.81Å; T699-H702 WeakPolarHBondContact O-CB 3.42Å; T699-H702 PolarHBondContact O-N 3.2Å; T699-H702 VanDerWaalsContact O-N 3.13Å; T699-L703 WeakPolarHBondContact O-CB 3.15Å; T699-L703 WeakPolarHBondContact O-CG 3.5Å; T699-L703 PolarHBondContact O-N 3.27Å
700T92.5Very high90.1Very high8 Ų874 Ų745%0.04939%0.392CS..Hα-helixtrans-54.1-48.4173.1-670000111L686 T690 G694 F695 S697 H702 L703 A704L686-T700 HydrophobicContact CD1-CG2 3.89Å; L686-T700 WeakPolarHBondContact CD1-O 3.44Å; T690-T700 HydrophobicContact CG2-CG2 3.53Å; G694-T700 WeakPolarHBondContact O-CB 3.44Å; G694-T700 PolarHBondContact O-OG1 2.87Å; F695-T700 WeakPolarHBondContact O-CG2 3.47Å; S697-T700 PolarHBondContact O-N 3.48Å; T700-H702 PolarHBondContact O-N 2.75Å; T700-L703 PolarHBondContact O-N 3.5Å; T700-A704 WeakPolarHBondContact O-CB 3.19Å; T700-A704 PolarHBondContact O-N 2.71Å
701T92.4Very high89.9Confident65 Ų6575.1 Ų75.140%0.39940%0.396SS..Hα-helixtrans-63.3-40.7177.2-59.80000111.9S697 T699 N705S697-T701 WeakPolarHBondContact O-CB 3.41Å; S697-T701 PolarHBondContact O-N 3.42Å; S697-T701 PolarHBondContact O-OG1 3.35Å; T699-T701 VanDerWaalsContact C-N 3.32Å; T699-T701 PolarHBondContact O-N 2.81Å; T701-N705 WeakPolarHBondContact O-CB 3.42Å; T701-N705 PolarHBondContact O-N 3.36Å; T701-N705 PolarHBondContact O-ND2 3.43Å
702H94.7Very high89.7Confident112 Ų11274.2 Ų74.252%0.51939%0.393SS..Hα-helixtrans-66.1-44.1177.1-176.182.5000112.2A698 T699 T700 N705 Q706A698-H702 WeakPolarHBondContact O-CB 3.47Å; A698-H702 PolarHBondContact O-N 3.06Å; T699-H702 WeakPolarHBondContact O-CB 3.42Å; T699-H702 PolarHBondContact O-N 3.2Å; T699-H702 VanDerWaalsContact O-N 3.13Å; T700-H702 PolarHBondContact O-N 2.75Å; H702-N705 PolarHBondContact O-N 3Å; H702-Q706 PolarHBondContact CD2-NE2 3.31Å; H702-Q706 PolarHBondContact NE2-NE2 2.98Å; H702-Q706 WeakPolarHBondContact O-CG 3.24Å; H702-Q706 PolarHBondContact O-N 2.97Å
703L94.1Very high89.3Confident19 Ų1975.5 Ų75.510%0.09939%0.387CS..Hα-helixtrans-64.2-41.4176.7-73.1166000112L682 Q685 L686 A689 T699 T700 Q706 L707L682-L703 HydrophobicContact CD2-CD2 4.17Å; Q685-L703 HydrophobicContact CB-CD1 4.07Å; Q685-L703 HydrophobicContact CB-CD2 3.88Å; L686-L703 HydrophobicContact CB-CB 4.25Å; L686-L703 HydrophobicContact CD1-CB 4.02Å; A689-L703 HydrophobicContact CB-CD1 3.72Å; T699-L703 WeakPolarHBondContact O-CB 3.15Å; T699-L703 WeakPolarHBondContact O-CG 3.5Å; T699-L703 PolarHBondContact O-N 3.27Å; T700-L703 PolarHBondContact O-N 3.5Å; L703-Q706 PolarHBondContact O-N 3.35Å; L703-L707 WeakPolarHBondContact O-CB 3.44Å; L703-L707 PolarHBondContact O-N 2.89Å
704A91.6Very high88.9Confident39 Ų3971.6 Ų71.632%0.32237%0.371SS..Hα-helixtrans-61.7-44.6174.200000111.7L686 T700 L707 D708L686-A704 HydrophobicContact CD1-CB 4.06Å; L686-A704 HydrophobicContact CD2-CB 4.26Å; T700-A704 WeakPolarHBondContact O-CB 3.19Å; T700-A704 PolarHBondContact O-N 2.71Å; A704-L707 PolarHBondContact O-N 3.02Å; A704-D708 WeakPolarHBondContact O-CB 3.39Å; A704-D708 PolarHBondContact O-N 3.33Å
705N92.5Very high88.6Confident99 Ų9978.3 Ų78.353%0.52939%0.389SS..Hα-helixtrans-66.6-36.7176.6-77.4-48.8000113T701 H702 K709T701-N705 WeakPolarHBondContact O-CB 3.42Å; T701-N705 PolarHBondContact O-N 3.36Å; T701-N705 PolarHBondContact O-ND2 3.43Å; H702-N705 PolarHBondContact O-N 3Å; N705-K709 VanDerWaalsContact O-CB 3.26Å; N705-K709 WeakPolarHBondContact O-CB 3.48Å; N705-K709 PolarHBondContact O-N 3.15Å
706Q91.7Very high88.6Confident75 Ų7576.4 Ų76.435%0.3539%0.387SS..Hα-helixtrans-62.7-46.9171.3-76.2-157.33800111.5L682 H702 L703 K709 F710L682-Q706 HydrophobicContact CD1-CB 4.24Å; L682-Q706 HydrophobicContact CD2-CB 4.04Å; H702-Q706 PolarHBondContact CD2-NE2 3.31Å; H702-Q706 PolarHBondContact NE2-NE2 2.98Å; H702-Q706 WeakPolarHBondContact O-CG 3.24Å; H702-Q706 PolarHBondContact O-N 2.97Å; L703-Q706 PolarHBondContact O-N 3.35Å; Q706-K709 PolarHBondContact O-N 3.41Å; Q706-F710 WeakPolarHBondContact O-CB 3.12Å; Q706-F710 PolarHBondContact O-N 2.93Å
707L91.8Very high88.6Confident22 Ų2272.9 Ų72.912%0.11537%0.365CS..Hα-helixtrans-62-45.4-179.9-178.360.5000111.7V679 L682 R683 L686 L703 A704 F710 I711V679-L707 HydrophobicContact CG1-CD1 4.01Å; L682-L707 HydrophobicContact CB-CB 4.36Å; L682-L707 HydrophobicContact CB-CD1 4.02Å; R683-L707 HydrophobicContact CB-CD2 4.34Å; L686-L707 HydrophobicContact CD2-CD2 3.86Å; L703-L707 WeakPolarHBondContact O-CB 3.44Å; L703-L707 PolarHBondContact O-N 2.89Å; A704-L707 PolarHBondContact O-N 3.02Å; L707-F710 PolarHBondContact O-N 3.34Å; L707-I711 HydrophobicContact CD1-CD1 3.87Å; L707-I711 HydrophobicContact CD1-CG1 4.34Å; L707-I711 HydrophobicContact CG-CD1 3.86Å; L707-I711 WeakPolarHBondContact O-CB 3.46Å; L707-I711 VanDerWaalsContact O-CG1 3.3Å; L707-I711 WeakPolarHBondContact O-CG1 3.21Å; L707-I711 PolarHBondContact O-N 3.12Å
708D89.8Confident88.5Confident58 Ų5876.8 Ų76.831%0.3138%0.379SS..Hα-helixtrans-64.6-44.8176.1-179.756.4000112.2A704 F710 I711 R712A704-D708 WeakPolarHBondContact O-CB 3.39Å; A704-D708 PolarHBondContact O-N 3.33Å; D708-F710 PolarHBondContact O-N 3.35Å; D708-I711 PolarHBondContact O-N 3.03Å; D708-R712 VanDerWaalsContact CG-NE 3.33Å; D708-R712 WeakPolarHBondContact O-CB 3.31Å; D708-R712 WeakPolarHBondContact O-CG 3.41Å; D708-R712 PolarHBondContact O-N 2.86Å; D708-R712 IonicContact OD1-CZ 3.03Å; D708-R712 IonicContact OD1-NE 2.68Å; D708-R712 PolarHBondContact OD1-NE 2.99Å; D708-R712 IonicContact OD1-NH2 3.61Å; D708-R712 PolarHBondContact OD1-NH2 3.08Å; D708-R712 IonicContact OD2-CZ 3.7Å; D708-R712 IonicContact OD2-NE 2.96Å; D708-R712 PolarHBondContact OD2-NE 2.89Å; D708-R712 IonicContact OD2-NH2 2.89Å; D708-R712 PolarHBondContact OD2-NH2 3.07Å
709K88.5Confident88.3Confident165 Ų16573.8 Ų73.872%0.71735%0.35SS*.Hα-helixtrans-55.8-39.2173.6-177.8179.3178.1-1770111.8N705 Q706 R713N705-K709 VanDerWaalsContact O-CB 3.26Å; N705-K709 WeakPolarHBondContact O-CB 3.48Å; N705-K709 PolarHBondContact O-N 3.15Å; Q706-K709 PolarHBondContact O-N 3.41Å; K709-R713 PolarHBondContact O-N 3.19Å
710F86.8Confident88Confident54 Ų5473.9 Ų73.924%0.23735%0.345CS..Hα-helixtrans-72.3-44.6179-150.1-89000112.1I675 T678 V679 Q706 L707 D708 R712 R713 S714I675-F710 HydrophobicContact CB-CE1 4.12Å; I675-F710 HydrophobicContact CB-CZ 4.49Å; I675-F710 HydrophobicContact CG1-CE1 4.35Å; I675-F710 HydrophobicContact CG1-CZ 4.34Å; I675-F710 HydrophobicContact CG2-CE1 3.72Å; I675-F710 WeakPolarHBondContact O-CE1 3.47Å; T678-F710 HydrophobicContact CG2-CD2 4.04Å; T678-F710 HydrophobicContact CG2-CE1 4.15Å; T678-F710 HydrophobicContact CG2-CE2 3.59Å; T678-F710 HydrophobicContact CG2-CZ 3.64Å; V679-F710 HydrophobicContact CG2-CD1 3.5Å; V679-F710 VanDerWaalsContact CG2-CD1 3.5Å; V679-F710 HydrophobicContact CG2-CE1 3.89Å; Q706-F710 WeakPolarHBondContact O-CB 3.12Å; Q706-F710 PolarHBondContact O-N 2.93Å; L707-F710 PolarHBondContact O-N 3.34Å; D708-F710 PolarHBondContact O-N 3.35Å; F710-R712 VanDerWaalsContact C-N 3.29Å; F710-R712 PolarHBondContact O-N 3Å; F710-R713 WeakPolarHBondContact O-CB 3.49Å; F710-R713 PolarHBondContact O-N 2.87Å; F710-S714 PolarHBondContact O-N 3.4Å; F710-S714 VanDerWaalsContact O-N 3.08Å
711I86.5Confident87.8Confident49 Ų4976.3 Ų76.325%0.25136%0.357SS..Hα-helixtrans-65.2-30.6176.3-68.9169.7000111.8L707 D708 S714 R715L707-I711 HydrophobicContact CD1-CD1 3.87Å; L707-I711 HydrophobicContact CD1-CG1 4.34Å; L707-I711 HydrophobicContact CG-CD1 3.86Å; L707-I711 WeakPolarHBondContact O-CB 3.46Å; L707-I711 VanDerWaalsContact O-CG1 3.3Å; L707-I711 WeakPolarHBondContact O-CG1 3.21Å; L707-I711 PolarHBondContact O-N 3.12Å; D708-I711 PolarHBondContact O-N 3.03Å; I711-S714 WeakPolarHBondContact CA-OG 3.34Å; I711-S714 PolarHBondContact O-OG 3.12Å; I711-S714 VanDerWaalsContact O-OG 3.06Å; I711-R715 WeakPolarHBondContact O-CG 3.37Å; I711-R715 PolarHBondContact O-N 3.42Å
712R85.2Confident87.7Confident160 Ų16075.5 Ų75.560%0.60435%0.351SS*.Hα-helixtrans-67.7-37.7169.5-70.9-179.4-158.9-92.3-6.2112D708 F710 R715 S716D708-R712 VanDerWaalsContact CG-NE 3.33Å; D708-R712 WeakPolarHBondContact O-CB 3.31Å; D708-R712 WeakPolarHBondContact O-CG 3.41Å; D708-R712 PolarHBondContact O-N 2.86Å; D708-R712 IonicContact OD1-CZ 3.03Å; D708-R712 IonicContact OD1-NE 2.68Å; D708-R712 PolarHBondContact OD1-NE 2.99Å; D708-R712 IonicContact OD1-NH2 3.61Å; D708-R712 PolarHBondContact OD1-NH2 3.08Å; D708-R712 IonicContact OD2-CZ 3.7Å; D708-R712 IonicContact OD2-NE 2.96Å; D708-R712 PolarHBondContact OD2-NE 2.89Å; D708-R712 IonicContact OD2-NH2 2.89Å; D708-R712 PolarHBondContact OD2-NH2 3.07Å; F710-R712 VanDerWaalsContact C-N 3.29Å; F710-R712 PolarHBondContact O-N 3Å; R712-R715 PolarHBondContact O-N 3.36Å; R712-R715 VanDerWaalsContact O-N 3.08Å; R712-S716 PolarHBondContact O-N 3.06Å
713R82.5Confident87.4Confident123 Ų12373.2 Ų73.246%0.46434%0.34SS..Hα-helixtrans-65.5-37.7176-162.6167.4-178.1162.1-1.7111.5D500 K709 F710 R715 S716D500-R713 IonicContact OD1-CZ 2.65Å; D500-R713 IonicContact OD1-NH1 3.39Å; D500-R713 PolarHBondContact OD1-NH1 3.35Å; D500-R713 IonicContact OD1-NH2 2.6Å; D500-R713 PolarHBondContact OD1-NH2 2.84Å; K709-R713 PolarHBondContact O-N 3.19Å; F710-R713 WeakPolarHBondContact O-CB 3.49Å; F710-R713 PolarHBondContact O-N 2.87Å; R713-R715 PolarHBondContact O-N 3.09Å; R713-S716 WeakPolarHBondContact O-CB 3.39Å; R713-S716 PolarHBondContact O-N 3.28Å; R713-S716 PolarHBondContact O-OG 3.19Å
714S77.3Confident87.2Confident22 Ų2274 Ų7415%0.15434%0.344CS..THydrogen-bonded Turntrans-76.76.4171.668.50000114.9F710 I711 Y719F710-S714 PolarHBondContact O-N 3.4Å; F710-S714 VanDerWaalsContact O-N 3.08Å; I711-S714 WeakPolarHBondContact CA-OG 3.34Å; I711-S714 PolarHBondContact O-OG 3.12Å; I711-S714 VanDerWaalsContact O-OG 3.06Å; S714-Y719 WeakPolarHBondContact O-CD1 3.02Å; S714-Y719 WeakPolarHBondContact O-CE1 2.8Å
715R78.9Confident87.3Confident165 Ų16576.6 Ų76.662%0.62335%0.35SS*.THydrogen-bonded Turntrans-1091167.7-73.8172.5172.6149.8-3112.8I711 R712 R713I711-R715 WeakPolarHBondContact O-CG 3.37Å; I711-R715 PolarHBondContact O-N 3.42Å; R712-R715 PolarHBondContact O-N 3.36Å; R712-R715 VanDerWaalsContact O-N 3.08Å; R713-R715 PolarHBondContact O-N 3.09Å
716S85.8Confident87.3Confident49 Ų4972.8 Ų72.834%0.34333%0.329SS..SBendtrans-64.6150.2177.264.70000112.1R712 R713 K718 Y719 R720R712-S716 PolarHBondContact O-N 3.06Å; R713-S716 WeakPolarHBondContact O-CB 3.39Å; R713-S716 PolarHBondContact O-N 3.28Å; R713-S716 PolarHBondContact O-OG 3.19Å; S716-K718 VanDerWaalsContact C-N 3.32Å; S716-K718 PolarHBondContact O-N 3.37Å; S716-Y719 PolarHBondContact O-N 3.24Å; S716-Y719 VanDerWaalsContact O-N 3.11Å; S716-R720 PolarHBondContact O-N 3.16Å
717Q84.2Confident87.3Confident88 Ų8871.9 Ų71.941%0.41133%0.329SS..Hα-helixtrans-51.6-51.1178-178.258.349.700111.6Y719 R720 D721Q717-Y719 VanDerWaalsContact C-N 3.3Å; Q717-Y719 PolarHBondContact O-N 3.43Å; Q717-R720 WeakPolarHBondContact O-CA 3.48Å; Q717-R720 WeakPolarHBondContact O-CB 3.39Å; Q717-R720 PolarHBondContact O-N 2.99Å; Q717-R720 VanDerWaalsContact OE1-CZ 3.25Å; Q717-D721 PolarHBondContact NE2-OD1 3.44Å; Q717-D721 PolarHBondContact NE2-OD2 3.07Å; Q717-D721 VanDerWaalsContact O-CG 3.25Å; Q717-D721 PolarHBondContact O-N 3.29Å
718K87.6Confident87.4Confident105 Ų10572.2 Ų72.246%0.45733%0.33SS..Hα-helixtrans-52.7-42.8177.1177.2169.8-179.9168.40113.4S716 R720 D721 D722S716-K718 VanDerWaalsContact C-N 3.32Å; S716-K718 PolarHBondContact O-N 3.37Å; K718-R720 VanDerWaalsContact C-N 3.31Å; K718-R720 PolarHBondContact O-N 3.48Å; K718-D721 PolarHBondContact O-N 3.28Å; K718-D722 WeakPolarHBondContact O-CB 3.26Å; K718-D722 VanDerWaalsContact O-CG 3.24Å; K718-D722 PolarHBondContact O-N 2.78Å
719Y87.7Confident87.7Confident19 Ų1970.5 Ų70.58%0.07532%0.321CS..Hα-helixtrans-63.2-37.7178.3180-83.6000111.7F672 I675 W676 S714 S716 Q717 E723F672-Y719 HydrophobicContact CD1-CE1 4.49Å; F672-Y719 AromaticContact CD1-CE2 3.67Å; F672-Y719 HydrophobicContact CD1-CE2 3.67Å; F672-Y719 AromaticContact CD1-CZ 3.63Å; F672-Y719 WeakPolarHBondContact CD1-OH 3.39Å; F672-Y719 HydrophobicContact CE1-CD1 4.35Å; F672-Y719 AromaticContact CE1-CD2 3.94Å; F672-Y719 HydrophobicContact CE1-CD2 3.94Å; F672-Y719 AromaticContact CE1-CE1 3.87Å; F672-Y719 HydrophobicContact CE1-CE1 3.87Å; F672-Y719 AromaticContact CE1-CE2 3.42Å; F672-Y719 HydrophobicContact CE1-CE2 3.42Å; F672-Y719 VanDerWaalsContact CE1-CE2 3.42Å; F672-Y719 HydrophobicContact CE1-CG 4.39Å; F672-Y719 AromaticContact CE1-CZ 3.39Å; F672-Y719 HydrophobicContact CZ-CE2 4.41Å; I675-Y719 HydrophobicContact CD1-CD2 4.31Å; I675-Y719 HydrophobicContact CD1-CE2 3.97Å; I675-Y719 HydrophobicContact CG2-CE2 4.15Å; W676-Y719 PolarHBondContact NE1-OH 3.36Å; S714-Y719 WeakPolarHBondContact O-CD1 3.02Å; S714-Y719 WeakPolarHBondContact O-CE1 2.8Å; S716-Y719 PolarHBondContact O-N 3.24Å; S716-Y719 VanDerWaalsContact O-N 3.11Å; Q717-Y719 VanDerWaalsContact C-N 3.3Å; Q717-Y719 PolarHBondContact O-N 3.43Å; Y719-E723 VanDerWaalsContact O-CB 3.26Å; Y719-E723 WeakPolarHBondContact O-CB 3.34Å; Y719-E723 PolarHBondContact O-N 2.97Å
720R85.8Confident88Confident55 Ų5564.9 Ų64.921%0.20830%0.3CS..Hα-helixtrans-69.9-35.4174.5-47.8-155.8-42-73.3-7.3112S716 Q717 K718 E723 I724S716-R720 PolarHBondContact O-N 3.16Å; Q717-R720 WeakPolarHBondContact O-CA 3.48Å; Q717-R720 WeakPolarHBondContact O-CB 3.39Å; Q717-R720 PolarHBondContact O-N 2.99Å; Q717-R720 VanDerWaalsContact OE1-CZ 3.25Å; K718-R720 VanDerWaalsContact C-N 3.31Å; K718-R720 PolarHBondContact O-N 3.48Å; R720-E723 PolarHBondContact O-N 3.01Å; R720-I724 WeakPolarHBondContact O-CB 3.31Å; R720-I724 VanDerWaalsContact O-CG1 3.29Å; R720-I724 WeakPolarHBondContact O-CG1 3.47Å; R720-I724 PolarHBondContact O-N 3.23Å
721D89Confident88.4Confident59 Ų5964.6 Ų64.632%0.31630%0.3SS..Hα-helixtrans-67.3-43.7176-56-33.7000111.1F626 Q717 K718 E723 I724 Q725F626-D721 VanDerWaalsContact CE2-OD1 3.25Å; F626-D721 WeakPolarHBondContact CE2-OD1 3.45Å; Q717-D721 PolarHBondContact NE2-OD1 3.44Å; Q717-D721 PolarHBondContact NE2-OD2 3.07Å; Q717-D721 VanDerWaalsContact O-CG 3.25Å; Q717-D721 PolarHBondContact O-N 3.29Å; K718-D721 PolarHBondContact O-N 3.28Å; D721-E723 VanDerWaalsContact C-N 3.31Å; D721-E723 PolarHBondContact O-N 2.83Å; D721-I724 PolarHBondContact O-N 3.12Å; D721-Q725 WeakPolarHBondContact O-CB 3.39Å; D721-Q725 PolarHBondContact O-N 2.96Å
722D89.8Confident88.9Confident49 Ų4964 Ų6426%0.26230%0.295SS..Hα-helixtrans-62-36.3173-69.3-29.8000111.1M668 F672 K718 Q725 L726M668-D722 HydrophobicContact CE-CB 3.95Å; M668-D722 WeakPolarHBondContact CE-O 3.41Å; F672-D722 HydrophobicContact CE2-CB 4.07Å; F672-D722 HydrophobicContact CZ-CB 3.77Å; K718-D722 WeakPolarHBondContact O-CB 3.26Å; K718-D722 VanDerWaalsContact O-CG 3.24Å; K718-D722 PolarHBondContact O-N 2.78Å; D722-Q725 PolarHBondContact O-N 3.34Å; D722-L726 WeakPolarHBondContact O-CB 3.34Å; D722-L726 PolarHBondContact O-N 3.36Å
723E88.7Confident89.4Confident63 Ų6356.7 Ų56.729%0.29427%0.268SS..Hα-helixtrans-72.4-40.4178-178.9172.3-14700112.1F672 Y719 R720 D721 L726 T727F672-E723 HydrophobicContact CE1-CB 4.06Å; F672-E723 HydrophobicContact CZ-CB 3.97Å; Y719-E723 VanDerWaalsContact O-CB 3.26Å; Y719-E723 WeakPolarHBondContact O-CB 3.34Å; Y719-E723 PolarHBondContact O-N 2.97Å; R720-E723 PolarHBondContact O-N 3.01Å; D721-E723 VanDerWaalsContact C-N 3.31Å; D721-E723 PolarHBondContact O-N 2.83Å; E723-L726 PolarHBondContact O-N 2.97Å; E723-T727 WeakPolarHBondContact O-CB 3.24Å; E723-T727 PolarHBondContact O-N 3.22Å; E723-T727 PolarHBondContact O-OG1 2.73Å
724I90.4Very high90Very high36 Ų3656.7 Ų56.719%0.18527%0.268CS..Hα-helixtrans-61.4-45.9169.9-75165.6000110.1F626 L631 R720 D721 T727 L728F626-I724 HydrophobicContact CB-CD1 4.04Å; F626-I724 HydrophobicContact CD1-CD1 4.4Å; F626-I724 HydrophobicContact CD2-CD1 3.88Å; F626-I724 HydrophobicContact CE2-CD1 4.47Å; F626-I724 HydrophobicContact CG-CD1 3.85Å; L631-I724 HydrophobicContact CD1-CG2 4.29Å; R720-I724 WeakPolarHBondContact O-CB 3.31Å; R720-I724 VanDerWaalsContact O-CG1 3.29Å; R720-I724 WeakPolarHBondContact O-CG1 3.47Å; R720-I724 PolarHBondContact O-N 3.23Å; D721-I724 PolarHBondContact O-N 3.12Å; I724-T727 WeakPolarHBondContact O-CB 3.47Å; I724-T727 PolarHBondContact O-N 3.1Å; I724-L728 HydrophobicContact CG2-CD1 3.94Å; I724-L728 VanDerWaalsContact O-CG 3.3Å; I724-L728 WeakPolarHBondContact O-CG 3.25Å; I724-L728 PolarHBondContact O-N 3.44Å
725Q92.1Very high90.9Very high94 Ų9456.2 Ų56.244%0.43926%0.264SS..Hα-helixtrans-61.8-46.3176.9-179.4175.235.300111.5M668 D721 D722 T727 L728 M729M668-Q725 HydrophobicContact CE-CB 4.08Å; M668-Q725 HydrophobicContact CE-CG 4.06Å; M668-Q725 HydrophobicContact SD-CG 4.11Å; D721-Q725 WeakPolarHBondContact O-CB 3.39Å; D721-Q725 PolarHBondContact O-N 2.96Å; D722-Q725 PolarHBondContact O-N 3.34Å; Q725-T727 VanDerWaalsContact C-N 3.3Å; Q725-T727 PolarHBondContact O-N 2.89Å; Q725-L728 PolarHBondContact O-N 3.28Å; Q725-M729 HydrophobicContact CG-CG 4.48Å; Q725-M729 HydrophobicContact CG-SD 4.24Å; Q725-M729 VanDerWaalsContact O-CG 3.3Å; Q725-M729 WeakPolarHBondContact O-CG 3.32Å; Q725-M729 PolarHBondContact O-N 2.89Å
726L93.2Very high91.7Very high18 Ų1848.3 Ų48.39%0.09423%0.234CC..Hα-helixtrans-57.6-44175.8-174.372000111.3Y665 M668 F672 D722 E723 M729 V730Y665-L726 HydrophobicContact CD2-CD1 3.65Å; Y665-L726 HydrophobicContact CE2-CD1 3.91Å; M668-L726 HydrophobicContact CB-CD1 3.85Å; F672-L726 HydrophobicContact CD2-CD2 3.81Å; F672-L726 HydrophobicContact CE2-CB 4.42Å; F672-L726 HydrophobicContact CE2-CD2 4.13Å; F672-L726 HydrophobicContact CG-CD2 4.29Å; D722-L726 WeakPolarHBondContact O-CB 3.34Å; D722-L726 PolarHBondContact O-N 3.36Å; E723-L726 PolarHBondContact O-N 2.97Å; L726-M729 PolarHBondContact O-N 3.38Å; L726-V730 WeakPolarHBondContact O-CG2 3.47Å; L726-V730 PolarHBondContact O-N 3.3Å
727T92.1Very high92.1Very high57 Ų5748.2 Ų48.235%0.3523%0.227SC..Hα-helixtrans-60.9-45.2177.6-59.90000111.9L631 E723 I724 Q725 V730 H731L631-T727 HydrophobicContact CD1-CG2 4.33Å; E723-T727 WeakPolarHBondContact O-CB 3.24Å; E723-T727 PolarHBondContact O-N 3.22Å; E723-T727 PolarHBondContact O-OG1 2.73Å; I724-T727 WeakPolarHBondContact O-CB 3.47Å; I724-T727 PolarHBondContact O-N 3.1Å; Q725-T727 VanDerWaalsContact C-N 3.3Å; Q725-T727 PolarHBondContact O-N 2.89Å; T727-V730 PolarHBondContact O-N 2.83Å; T727-H731 PolarHBondContact O-N 2.9Å
728L94Very high92.5Very high28 Ų2849.8 Ų49.815%0.14724%0.235CC..Hα-helixtrans-64.8-38.7176.7-69.3168.2000112L631 K634 L635 I638 I724 Q725 H731 K732L631-L728 HydrophobicContact CD1-CD2 3.99Å; L631-L728 HydrophobicContact CD1-CG 4.12Å; K634-L728 HydrophobicContact CB-CD1 4.01Å; K634-L728 HydrophobicContact CB-CD2 3.56Å; K634-L728 HydrophobicContact CB-CG 4.46Å; K634-L728 HydrophobicContact CD-CD1 3.83Å; K634-L728 HydrophobicContact CG-CD1 4.49Å; L635-L728 HydrophobicContact CD2-CD2 3.87Å; L635-L728 HydrophobicContact CG-CD2 3.97Å; I638-L728 HydrophobicContact CD1-CB 4.05Å; I638-L728 HydrophobicContact CD1-CD2 3.79Å; I724-L728 HydrophobicContact CG2-CD1 3.94Å; I724-L728 VanDerWaalsContact O-CG 3.3Å; I724-L728 WeakPolarHBondContact O-CG 3.25Å; I724-L728 PolarHBondContact O-N 3.44Å; Q725-L728 PolarHBondContact O-N 3.28Å; L728-H731 PolarHBondContact O-N 3.42Å; L728-K732 WeakPolarHBondContact O-CB 3.21Å; L728-K732 PolarHBondContact O-N 3.44Å
729M95.1Very high92.8Very high22 Ų2247.4 Ų47.411%0.10822%0.223CC..Hα-helixtrans-67.4-40.5175.6-68.6-17580.800112.5T661 T664 M668 Q725 L726 H731 K732 L733T661-M729 HydrophobicContact CG2-CB 4.48Å; T661-M729 HydrophobicContact CG2-CE 3.53Å; T661-M729 HydrophobicContact CG2-CG 4.49Å; T661-M729 WeakPolarHBondContact O-CE 3.39Å; T664-M729 HydrophobicContact CG2-CE 3.71Å; T664-M729 HydrophobicContact CG2-SD 4.05Å; M668-M729 HydrophobicContact SD-SD 4.07Å; Q725-M729 HydrophobicContact CG-CG 4.48Å; Q725-M729 HydrophobicContact CG-SD 4.24Å; Q725-M729 VanDerWaalsContact O-CG 3.3Å; Q725-M729 WeakPolarHBondContact O-CG 3.32Å; Q725-M729 PolarHBondContact O-N 2.89Å; L726-M729 PolarHBondContact O-N 3.38Å; M729-H731 VanDerWaalsContact C-N 3.31Å; M729-H731 PolarHBondContact O-N 2.93Å; M729-K732 PolarHBondContact O-N 3.46Å; M729-L733 WeakPolarHBondContact O-CB 3.45Å; M729-L733 VanDerWaalsContact O-CG 3.29Å; M729-L733 WeakPolarHBondContact O-CG 3.3Å; M729-L733 PolarHBondContact O-N 2.95Å
730V94.8Very high93.1Very high47 Ų4747.5 Ų47.529%0.28523%0.225SC..Hα-helixtrans-59.5-43.4172.6168.10000110.7Y665 L726 T727 R734Y665-V730 HydrophobicContact CD2-CG2 3.9Å; Y665-V730 HydrophobicContact CE2-CG2 3.41Å; Y665-V730 VanDerWaalsContact CE2-CG2 3.41Å; L726-V730 WeakPolarHBondContact O-CG2 3.47Å; L726-V730 PolarHBondContact O-N 3.3Å; T727-V730 PolarHBondContact O-N 2.83Å; V730-R734 VanDerWaalsContact O-CB 3.25Å; V730-R734 WeakPolarHBondContact O-CB 3.44Å; V730-R734 PolarHBondContact O-N 3.26Å
731H95.1Very high93.3Very high48 Ų4847.1 Ų47.122%0.22223%0.233CC..Hα-helixtrans-62.1-50.7176-162.2-105.7000111.9L635 D639 T727 L728 M729 L733 R734 L735L635-H731 HydrophobicContact CD2-CB 3.48Å; L635-H731 VanDerWaalsContact CD2-CB 3.48Å; D639-H731 IonicContact OD1-CE1 3.6Å; D639-H731 PolarHBondContact OD1-CE1 2.77Å; D639-H731 IonicContact OD2-CE1 2.89Å; D639-H731 PolarHBondContact OD2-CE1 3.13Å; T727-H731 PolarHBondContact O-N 2.9Å; L728-H731 PolarHBondContact O-N 3.42Å; M729-H731 VanDerWaalsContact C-N 3.31Å; M729-H731 PolarHBondContact O-N 2.93Å; H731-L733 PolarHBondContact O-N 3.45Å; H731-R734 PolarHBondContact O-N 3.05Å; H731-L735 WeakPolarHBondContact O-CB 3.26Å; H731-L735 PolarHBondContact O-N 2.98Å
732K96.7Very high93.1Very high38 Ų3846.8 Ų46.817%0.16523%0.233CC..Hα-helixtrans-56.1-49178.6-168.7-178.3-171.4-174.50111.9I638 Y642 E657 T661 L728 M729 L735 L736I638-K732 HydrophobicContact CD1-CB 4.47Å; I638-K732 HydrophobicContact CG2-CB 4.17Å; I638-K732 HydrophobicContact CG2-CG 4.36Å; Y642-K732 HydrophobicContact CE2-CD 4.43Å; Y642-K732 HydrophobicContact CE2-CG 4.22Å; Y642-K732 VanDerWaalsContact CZ-CE 3.46Å; Y642-K732 WeakPolarHBondContact OH-CE 3.49Å; Y642-K732 PolarHBondContact OH-NZ 3.36Å; E657-K732 WeakPolarHBondContact OE1-CE 3.46Å; E657-K732 IonicContact OE1-NZ 3.09Å; E657-K732 PolarHBondContact OE1-NZ 3.01Å; E657-K732 IonicContact OE2-NZ 3.72Å; E657-K732 PolarHBondContact OE2-NZ 2.86Å; T661-K732 HydrophobicContact CG2-CD 4.24Å; L728-K732 WeakPolarHBondContact O-CB 3.21Å; L728-K732 PolarHBondContact O-N 3.44Å; M729-K732 PolarHBondContact O-N 3.46Å; K732-L735 PolarHBondContact O-N 3.26Å; K732-L736 HydrophobicContact CG-CD1 3.96Å; K732-L736 WeakPolarHBondContact O-CB 3.47Å; K732-L736 VanDerWaalsContact O-CG 3.22Å; K732-L736 WeakPolarHBondContact O-CG 3.19Å; K732-L736 PolarHBondContact O-N 2.97Å
733L97.5Very high92.8Very high5 Ų545 Ų453%0.02622%0.224CC..Hα-helixtrans-65.8-38.9179.5-71.5167.8000112.6F658 T661 Y662 Y665 M729 H731 K737F658-L733 HydrophobicContact CD2-CD2 3.56Å; F658-L733 HydrophobicContact CE2-CB 4.5Å; F658-L733 HydrophobicContact CE2-CD2 3.85Å; F658-L733 HydrophobicContact CG-CD2 4.16Å; T661-L733 HydrophobicContact CG2-CD1 4.1Å; T661-L733 HydrophobicContact CG2-CD2 3.73Å; T661-L733 HydrophobicContact CG2-CG 3.71Å; Y662-L733 HydrophobicContact CD2-CD1 4.19Å; Y665-L733 HydrophobicContact CD1-CD1 3.77Å; Y665-L733 HydrophobicContact CD2-CD1 4.31Å; Y665-L733 HydrophobicContact CG-CD1 3.6Å; M729-L733 WeakPolarHBondContact O-CB 3.45Å; M729-L733 VanDerWaalsContact O-CG 3.29Å; M729-L733 WeakPolarHBondContact O-CG 3.3Å; M729-L733 PolarHBondContact O-N 2.95Å; H731-L733 PolarHBondContact O-N 3.45Å; L733-K737 VanDerWaalsContact O-CB 3.26Å; L733-K737 WeakPolarHBondContact O-CB 3.25Å; L733-K737 PolarHBondContact O-N 3.23Å
734R94.7Very high92.1Very high124 Ų12446.5 Ų46.547%0.46823%0.231SC..Hα-helixtrans-63.5-47175-178.4-178.7-70.7159.2-4.5111.2V730 H731 K737 Q738V730-R734 VanDerWaalsContact O-CB 3.25Å; V730-R734 WeakPolarHBondContact O-CB 3.44Å; V730-R734 PolarHBondContact O-N 3.26Å; H731-R734 PolarHBondContact O-N 3.05Å; R734-K737 PolarHBondContact O-N 2.65Å; R734-Q738 WeakPolarHBondContact O-CB 3.5Å; R734-Q738 PolarHBondContact O-N 3.08Å
735L95.5Very high91Very high11 Ų1151.7 Ų51.76%0.05825%0.254CS..Hα-helixtrans-61.9-52177.8-179.363.4000111.2I638 D639 Y642 H731 K732 K737 Q738 R739I638-L735 HydrophobicContact CG2-CD2 3.89Å; D639-L735 WeakPolarHBondContact OD1-CD2 3.35Å; Y642-L735 HydrophobicContact CD2-CD2 4.48Å; H731-L735 WeakPolarHBondContact O-CB 3.26Å; H731-L735 PolarHBondContact O-N 2.98Å; K732-L735 PolarHBondContact O-N 3.26Å; L735-K737 VanDerWaalsContact C-N 3.34Å; L735-K737 PolarHBondContact O-N 3.24Å; L735-Q738 WeakPolarHBondContact O-CB 3.48Å; L735-Q738 PolarHBondContact O-N 2.76Å; L735-Q738 VanDerWaalsContact O-N 3.09Å; L735-R739 HydrophobicContact CD1-CG 4.17Å; L735-R739 HydrophobicContact CG-CG 4.33Å; L735-R739 VanDerWaalsContact O-CG 3.31Å; L735-R739 WeakPolarHBondContact O-CG 3.49Å; L735-R739 PolarHBondContact O-N 3.05Å
736L96Very high89.5Confident0 Ų052 Ų520%026%0.259CS..Hα-helixtrans-55.9-46.4177.6-70.9167.7000111.8Y642 Y654 E657 F658 K732 Q738 R739 L740Y642-L736 HydrophobicContact CD1-CD2 3.55Å; Y642-L736 HydrophobicContact CE1-CD2 4.01Å; Y642-L736 HydrophobicContact CG-CD2 3.99Å; Y654-L736 HydrophobicContact CD1-CD2 4.43Å; Y654-L736 HydrophobicContact CD2-CD2 3.82Å; Y654-L736 HydrophobicContact CG-CD2 3.73Å; E657-L736 HydrophobicContact CB-CD1 4.28Å; E657-L736 HydrophobicContact CG-CD1 3.69Å; E657-L736 HydrophobicContact CG-CD2 4.4Å; F658-L736 HydrophobicContact CB-CB 4.32Å; F658-L736 HydrophobicContact CB-CD1 4.07Å; F658-L736 HydrophobicContact CD2-CB 4.21Å; K732-L736 HydrophobicContact CG-CD1 3.96Å; K732-L736 WeakPolarHBondContact O-CB 3.47Å; K732-L736 VanDerWaalsContact O-CG 3.22Å; K732-L736 WeakPolarHBondContact O-CG 3.19Å; K732-L736 PolarHBondContact O-N 2.97Å; L736-Q738 VanDerWaalsContact C-N 3.34Å; L736-Q738 PolarHBondContact O-N 3.03Å; L736-R739 PolarHBondContact O-N 3.29Å; L736-L740 WeakPolarHBondContact O-CB 3.36Å; L736-L740 VanDerWaalsContact O-CG 3.25Å; L736-L740 WeakPolarHBondContact O-CG 3.28Å; L736-L740 PolarHBondContact O-N 3.04Å
737K94.1Very high87.8Confident47 Ų4756 Ų5620%0.20428%0.28CS..Hα-helixtrans-59.1-42.3175.7-175.2178.9-179.8-179.70112.1F658 L733 R734 L735 A741 L824F658-K737 HydrophobicContact CE2-CB 4.37Å; L733-K737 VanDerWaalsContact O-CB 3.26Å; L733-K737 WeakPolarHBondContact O-CB 3.25Å; L733-K737 PolarHBondContact O-N 3.23Å; R734-K737 PolarHBondContact O-N 2.65Å; L735-K737 VanDerWaalsContact C-N 3.34Å; L735-K737 PolarHBondContact O-N 3.24Å; K737-A741 WeakPolarHBondContact O-CB 3.31Å; K737-A741 PolarHBondContact O-N 3.43Å; K737-A741 VanDerWaalsContact O-N 3.13Å; K737-L824 HydrophobicContact CD-CD1 4.33Å; K737-L824 PolarHBondContact NZ-O 2.91Å
738Q93.6Very high85.9Confident121 Ų12159.6 Ų59.657%0.56530%0.298SS*.Hα-helixtrans-65.5-47.6176.7-178.7179.6-6.400112R734 L735 L736 A741 V742R734-Q738 WeakPolarHBondContact O-CB 3.5Å; R734-Q738 PolarHBondContact O-N 3.08Å; L735-Q738 WeakPolarHBondContact O-CB 3.48Å; L735-Q738 PolarHBondContact O-N 2.76Å; L735-Q738 VanDerWaalsContact O-N 3.09Å; L736-Q738 VanDerWaalsContact C-N 3.34Å; L736-Q738 PolarHBondContact O-N 3.03Å; Q738-A741 PolarHBondContact O-N 3.45Å; Q738-V742 PolarHBondContact O-N 3.32Å
739R93.2Very high83.5Confident54 Ų5461.2 Ų61.220%0.20432%0.321CS..Hα-helixtrans-60.7-47.8179.1-65.6-61.2-166.6-156.1-5.2111.5Y642 P643 I645 Y654 L735 L736 A741 V742 S743Y642-R739 PolarHBondContact O-NE 2.94Å; Y642-R739 PolarHBondContact O-NH2 3.29Å; P643-R739 WeakPolarHBondContact O-CD 3.41Å; P643-R739 PolarHBondContact O-NE 3.07Å; I645-R739 HydrophobicContact CD1-CB 3.84Å; I645-R739 WeakPolarHBondContact CD1-O 3.38Å; I645-R739 HydrophobicContact CG1-CB 4.06Å; Y654-R739 HydrophobicContact CD2-CB 3.95Å; Y654-R739 HydrophobicContact CD2-CG 4.42Å; Y654-R739 HydrophobicContact CE2-CB 4.06Å; Y654-R739 HydrophobicContact CE2-CG 4.13Å; L735-R739 HydrophobicContact CD1-CG 4.17Å; L735-R739 HydrophobicContact CG-CG 4.33Å; L735-R739 VanDerWaalsContact O-CG 3.31Å; L735-R739 WeakPolarHBondContact O-CG 3.49Å; L735-R739 PolarHBondContact O-N 3.05Å; L736-R739 PolarHBondContact O-N 3.29Å; R739-A741 VanDerWaalsContact C-N 3.35Å; R739-A741 PolarHBondContact O-N 3.13Å; R739-V742 PolarHBondContact O-N 3.37Å; R739-S743 PolarHBondContact O-N 3.42Å; R739-S743 VanDerWaalsContact O-N 3.16Å
740L93.3Very high80.9Confident22 Ų2263.4 Ų63.412%0.11535%0.349CS..Hα-helixtrans-61-40.2178.3-72.2167.8000112.3I645 A651 L655 L736 V742 S743 Q744I645-L740 HydrophobicContact CD1-CD2 3.98Å; I645-L740 HydrophobicContact CD1-CG 4.31Å; A651-L740 HydrophobicContact CB-CD2 4.5Å; A651-L740 WeakPolarHBondContact O-CD2 3.42Å; L655-L740 HydrophobicContact CB-CD2 4.42Å; L655-L740 HydrophobicContact CD1-CD1 4.44Å; L736-L740 WeakPolarHBondContact O-CB 3.36Å; L736-L740 VanDerWaalsContact O-CG 3.25Å; L736-L740 WeakPolarHBondContact O-CG 3.28Å; L736-L740 PolarHBondContact O-N 3.04Å; L740-V742 PolarHBondContact O-N 2.91Å; L740-S743 PolarHBondContact O-N 3.37Å; L740-Q744 PolarHBondContact O-N 3.33Å
741A90.4Very high78.2Confident46 Ų4672.1 Ų72.138%0.3838%0.377SS..Hα-helixtrans-63.3-39.2177.500000112.9K737 Q738 R739K737-A741 WeakPolarHBondContact O-CB 3.31Å; K737-A741 PolarHBondContact O-N 3.43Å; K737-A741 VanDerWaalsContact O-N 3.13Å; Q738-A741 PolarHBondContact O-N 3.45Å; R739-A741 VanDerWaalsContact C-N 3.35Å; R739-A741 PolarHBondContact O-N 3.13Å
742V84.9Confident75.4Confident52 Ų5278.3 Ų78.332%0.31541%0.406SS..Hα-helixtrans-66.8-43.9176.1175.80000111.2Q738 R739 L740 Q744 H745 N746Q738-V742 PolarHBondContact O-N 3.32Å; R739-V742 PolarHBondContact O-N 3.37Å; L740-V742 PolarHBondContact O-N 2.91Å; V742-Q744 VanDerWaalsContact C-N 3.28Å; V742-Q744 PolarHBondContact O-N 3.25Å; V742-H745 PolarHBondContact O-N 3.18Å; V742-N746 PolarHBondContact O-N 3.05Å
743S83.3Confident72.6Confident11 Ų1187.4 Ų87.48%0.07744%0.439CS..Hα-helixtrans-56.8-40.1177.6-174.20000112.8R739 L740 H745 N746 N747R739-S743 PolarHBondContact O-N 3.42Å; R739-S743 VanDerWaalsContact O-N 3.16Å; L740-S743 PolarHBondContact O-N 3.37Å; S743-H745 VanDerWaalsContact C-N 3.3Å; S743-H745 PolarHBondContact O-N 3.24Å; S743-N746 PolarHBondContact O-N 3.03Å; S743-N747 PolarHBondContact O-N 3.35Å; S743-N747 VanDerWaalsContact O-N 3.13Å
744Q75.3Confident69.5Low95 Ų9594.1 Ų94.144%0.44448%0.475SS..Hα-helixtrans-66.3-26.4177.3-71.1-1756.100114L740 V742 N748L740-Q744 PolarHBondContact O-N 3.33Å; V742-Q744 VanDerWaalsContact C-N 3.28Å; V742-Q744 PolarHBondContact O-N 3.25Å; Q744-N748 PolarHBondContact O-ND2 3.41Å
745H65.8Low66.7Low146 Ų14699.4 Ų99.468%0.67650%0.495SS*.Hα-helixtrans-77.5-42.2172.9-75.9-23.3000111.9V742 S743 N747 N748 G749V742-H745 PolarHBondContact O-N 3.18Å; S743-H745 VanDerWaalsContact C-N 3.3Å; S743-H745 PolarHBondContact O-N 3.24Å; H745-N747 PolarHBondContact O-N 3.41Å; H745-N748 PolarHBondContact O-N 3.48Å; H745-G749 PolarHBondContact O-N 2.71Å
746N60.7Low64Low100 Ų100106 Ų10654%0.53553%0.528SS..Hα-helixtrans-60.3-46.7178.7-68.2-9.3000111.8V742 S743 N748 G749V742-N746 PolarHBondContact O-N 3.05Å; S743-N746 PolarHBondContact O-N 3.03Å; N746-N748 VanDerWaalsContact C-N 3.3Å; N746-N748 PolarHBondContact O-N 2.82Å; N746-G749 PolarHBondContact O-N 2.86Å
747N58.1Low61.1Low102 Ų102112.8 Ų112.855%0.54556%0.564SS.*Hα-helixtrans-67.9-24179.6-78.3-26.9000114.4S743 H745S743-N747 PolarHBondContact O-N 3.35Å; S743-N747 VanDerWaalsContact O-N 3.13Å; H745-N747 PolarHBondContact O-N 3.41Å
748N53Low58.4Low133 Ų133116.4 Ų116.471%0.71159%0.592SS**Hα-helixtrans-88.3-19.2175-78.3-58.7000113.4Q744 H745 N746Q744-N748 PolarHBondContact O-ND2 3.41Å; H745-N748 PolarHBondContact O-N 3.48Å; N746-N748 VanDerWaalsContact C-N 3.3Å; N746-N748 PolarHBondContact O-N 2.82Å
749G43.1Very low55.7Low62 Ų62117.3 Ų117.364%0.63961%0.606SS**Hα-helixtrans-72.2-25.8175.900000114.4H745 N746 R751H745-G749 PolarHBondContact O-N 2.71Å; N746-G749 PolarHBondContact O-N 2.86Å; G749-R751 PolarHBondContact O-N 3.36Å
750G39.7Very low52.8Low67 Ų67120.6 Ų120.669%0.69163%0.632SS**THydrogen-bonded Turntrans-77-12.7-17000000117.1H752G750-H752 PolarHBondContact O-N 3.32Å
751R38.6Very low50.2Low230 Ų230125.8 Ų125.887%0.86867%0.665SS**THydrogen-bonded Turntrans-92.716.8-170.9-70.4-165.3177.1-145-0.6115.7G749G749-R751 PolarHBondContact O-N 3.36Å
752H36.2Very low47.6Very low179 Ų179131.4 Ų131.483%0.82969%0.688SS**SBendtrans-143.240.9-172.4-129.3-60.7000116.8G750G750-H752 PolarHBondContact O-N 3.32Å
753R37.2Very low45.3Very low228 Ų228132.3 Ų132.386%0.8671%0.708SS**SBendtrans-139.8171.4159.5-99.5150.8-163.9-167.10.9110
754D34Very low43.1Very low146 Ų146139.2 Ų139.278%0.78174%0.744SS**  trans61.160.8176.5-52.3-20.4000115.9
755R35.1Very low41.5Very low236 Ų236140.7 Ų140.789%0.89176%0.759SS**  trans-113.760.8153.4-154.7179.8-158.2-150.23.8110.5
756I39.6Very low40.2Very low148 Ų148140 Ų14076%0.75977%0.765SS**PPolyproline II helixtrans-69.3130.4171.3-62.3178.3000108.1
757L33.9Very low39.1Very low143 Ų143138.5 Ų138.575%0.74977%0.774SS**PPolyproline II helixtrans-79.1131.7178.1-64.1169.1000109.7V759L757-V759 PolarHBondContact O-N 3.46Å
758P37.4Very low38.1Very low123 Ų123139.4 Ų139.480%0.79978%0.779SS**PPolyproline II helixtrans-71.3123.3169.429.2-32.1000109.6
759V37.1Very low37.6Very low140 Ų140140.7 Ų140.785%0.84878%0.778SS**PPolyproline II helixtrans-81.1134.3170.3174.50000108.8L757L757-V759 PolarHBondContact O-N 3.46Å
760T32.1Very low37.5Very low124 Ų124144.9 Ų144.976%0.76178%0.784SS**PPolyproline II helixtrans-87.1131.6-170.850.90000113.5
761T39.1Very low37.4Very low131 Ų131146.7 Ų146.780%0.80478%0.778SS**  trans-140.397.6159.352.80000111.7
762N36.6Very low37.3Very low164 Ų164145 Ų14588%0.87777%0.772SS**  trans25.8130.9144.9-47.9-14.1000120.9
763G36.6Very low37.2Very low70 Ų70144 Ų14472%0.72277%0.772SS**  trans162.3107.4155.900000114.9
764D35.3Very low37Very low156 Ų156137.7 Ų137.783%0.83476%0.762SS**  trans49.6114.3151.9-58-19000120.3
765V42Very low37Very low126 Ų126141.2 Ų141.276%0.76477%0.765SS**  71.7115.378.2169.70000111.2
766T39Very low36.8Very low132 Ų132135.5 Ų135.581%0.8176%0.759SS**  cis-160.7154.141.1-26.20000113
767G37.1Very low36.5Very low69 Ų69134.6 Ų134.671%0.71176%0.756SS**  trans56155.4136.400000123.1
768D38.5Very low36.6Very low121 Ų121133.1 Ų133.165%0.64775%0.749SS**  cis-168.3135.1-3.3-166.335.7000112.6
769K42Very low36.4Very low159 Ų159133.7 Ų133.769%0.69175%0.745SS**  trans56.6166.8158.4-72.7172.4-164.476.20117.9
770I39.8Very low36.2Very low150 Ų150133.7 Ų133.777%0.76974%0.74SS**  cis-157.8164.5-0.9-122.6158.3000105.8
771D38.8Very low36.2Very low105 Ų105134.7 Ų134.756%0.56174%0.738SS**  cis-175.7164.6-33.4-178.417.9000107.4
772R36.7Very low36.1Very low195 Ų195137.9 Ų137.974%0.73674%0.741SS**  trans72.7113.6162.9-71.8161.7-142.3-117.8-16.2123.2
773L34.1Very low35.9Very low159 Ų159134.9 Ų134.983%0.83273%0.733SS**  45.1153.2108.9-58.6174.8000121.4
774S33.1Very low35.9Very low94 Ų94138.8 Ų138.866%0.65774%0.736SS**  cis177.2151.6-29.5-145.40000109.6
775R32.8Very low35.6Very low221 Ų221135.7 Ų135.783%0.83473%0.726SS**  trans66.5134.9152.4-80.1-174.5178.2177.40.9122.6
776C32.2Very low35.3Very low116 Ų116138.4 Ų138.478%0.78473%0.733SS**  trans72.5154.2138.8-69.60000119
777N31.8Very low35.2Very low128 Ų128140.6 Ų140.668%0.68473%0.731SS**  cis-165.8178-26.7-168.415.7000107.8
778N35.8Very low35.2Very low113 Ų113142.6 Ų142.660%0.60473%0.734SS**  trans78.2104160.6-58.6-37000119
779N34.6Very low35.1Very low134 Ų134141.5 Ų141.572%0.71774%0.736SS**  65.8132.8114.7-50.8-23.3000122.1
780N31.7Very low34.9Very low140 Ų140142.3 Ų142.375%0.74974%0.74SS**  100.2125.7128-98.5-16.1000121.9
781M32.8Very low34.9Very low146 Ų146141.2 Ų141.272%0.71974%0.736SS**  trans92.4138.5132-75.8-75.1171.500121.6
782K37.1Very low34.8Very low197 Ų197144.9 Ų144.986%0.85775%0.746SS**  trans74149.7161.7-66.9162.7-175175.80116.7
783S33.1Very low34.8Very low102 Ų102142 Ų14271%0.71374%0.744SS**  cis-173.9178.7-19.6-172.30000109.2
784I34.9Very low34.8Very low152 Ų152139.1 Ų139.178%0.77974%0.737SS**  trans85.4105.7167.5-51.7164.9000113.2
785S30.6Very low34.9Very low90 Ų90139.4 Ų139.463%0.62974%0.739SS**  cis84.7112.128.2-166.10000115.3
786M34.4Very low35.1Very low184 Ų184136.6 Ų136.691%0.90674%0.738SS**  trans172.4154138-74.5-125.5-156.500108.7
787K37.7Very low35.3Very low178 Ų178135.2 Ų135.277%0.77473%0.73SS**  cis168.9108.1-45-109.6-170.1173.9-176.20108.7
788S36.3Very low35.5Very low110 Ų110135.2 Ų135.277%0.76973%0.729SS**  trans170.9121.7144.947.50000108.4
789S37.8Very low35.6Very low98 Ų98135.9 Ų135.969%0.68573%0.733SS**  cis72.513446-47.80000111.5
790F37.9Very low35.6Very low176 Ų176135.3 Ų135.377%0.77273%0.73SS**  cis-137.5137.340.5-95.5-111.8000112.6
791N37.8Very low35.7Very low128 Ų128135.7 Ų135.768%0.68473%0.73SS**  61.5140.5101.4-71.9-17.9000115.7
792K37.3Very low35.8Very low181 Ų181134 Ų13479%0.78773%0.729SS**  cis-149.4-178.812.9-125.4175.3177.6-177.80107.4
793I36.1Very low35.5Very low134 Ų134133.3 Ų133.369%0.68773%0.728SS**  cis-150.1139.29.4-146.2158.2000107.4
794S35.5Very low35.5Very low99 Ų99134 Ų13469%0.69273%0.733SS**  43.3136.2108.5-131.20000117.5
795S35.4Very low35.5Very low100 Ų100131.2 Ų131.270%0.69973%0.727SS**  cis-179.5170.1-10.143.60000108.3
796M35.7Very low35.6Very low162 Ų162133.1 Ų133.180%0.79873%0.731SS**  cis-145.9158.817.5-61.2173.565.800112
797S36.3Very low35.5Very low88 Ų88131.3 Ų131.362%0.61572%0.724SS**  trans45.7146.1134.6-65.50000123.6
798N36.1Very low35.2Very low127 Ų127128 Ų12868%0.67972%0.715SS**  cis-164158.9-1.5-113.111.5000112
799N37.7Very low35.1Very low127 Ų127131.5 Ų131.568%0.67972%0.719SS**  trans68.3142.3155.8-57.9-2.6000117.8
800N34.8Very low35Very low123 Ų123133.1 Ų133.166%0.65872%0.72SS**  cis-161.6148.9-4-116.5-8.3000112.2
801I35Very low35.2Very low147 Ų147131.5 Ų131.575%0.75471%0.713SS**  trans63.4139.4144-66166.9000118.6
802T33.5Very low35.2Very low111 Ų111130 Ų13068%0.68171%0.705SS**  cis-168.5114.1-20.8-79.80000104.5
803Q31Very low35.1Very low182 Ų182127 Ų12785%0.8570%0.698SS**  58151.192.8-87.3-166.17.400118.8
804S34.2Very low35.1Very low117 Ų117125.8 Ų125.882%0.81869%0.692SS**  trans74.7151.9177.277.60000118
805S34.2Very low35.2Very low93 Ų93129.4 Ų129.465%0.6569%0.691SS**  cis-163157.8-42.8-127.60000113
806D33.6Very low35.2Very low131 Ų131129.8 Ų129.870%0.70169%0.685SS**  trans68.2154145.4-49.4-13.8000123.4
807N32.6Very low35.2Very low145 Ų145123.9 Ų123.978%0.77566%0.655SS**  trans63.385.1154.8-60.7-26000119.5
808N30.7Very low35.4Very low109 Ų109124.9 Ų124.958%0.58365%0.654SS**  trans-155.141.4150-120-99.9000114.6N810 K811N808-N810 PolarHBondContact O-N 3.06Å; N808-K811 WeakPolarHBondContact OD1-CD 3.45Å; N808-K811 VanDerWaalsContact OD1-CE 3.29Å; N808-K811 WeakPolarHBondContact OD1-CE 3.14Å; N808-K811 PolarHBondContact OD1-NZ 3.37Å
809E34.4Very low35.6Very low184 Ų184123.7 Ų123.786%0.8665%0.647SS**THydrogen-bonded Turntrans-71.769173.5-69.2-156.5116.700112.9
810N36Very low35.5Very low132 Ų132119.3 Ų119.371%0.70663%0.626SS**THydrogen-bonded Turntrans-156.17.8160.6-117.9-46000114N808N808-N810 PolarHBondContact O-N 3.06Å
811K41Very low35.7Very low141 Ų141116 Ų11661%0.61361%0.607SS**SBendtrans-101.7-13.3-179.8-75.4172.2-179.41490114.8N808N808-K811 WeakPolarHBondContact OD1-CD 3.45Å; N808-K811 VanDerWaalsContact OD1-CE 3.29Å; N808-K811 WeakPolarHBondContact OD1-CE 3.14Å; N808-K811 PolarHBondContact OD1-NZ 3.37Å
812N38.4Very low36.1Very low98 Ų98118 Ų11852%0.52461%0.605SS.*Hα-helixtrans-74.2-36-176.7-77.3-21000113.4N814 R815 L816N812-N814 VanDerWaalsContact C-N 3.34Å; N812-N814 PolarHBondContact O-N 3.32Å; N812-R815 CarbonylContact O-C 3.44Å; N812-R815 WeakPolarHBondContact O-CA 3.13Å; N812-R815 VanDerWaalsContact O-CB 3.28Å; N812-R815 WeakPolarHBondContact O-CB 3.43Å; N812-R815 PolarHBondContact O-N 2.9Å; N812-L816 PolarHBondContact O-N 3.12Å
813N34.8Very low36.5Very low118 Ų118117 Ų11763%0.63159%0.593SS**Hα-helixtrans-62.9-42.6-178.6-58.710.4000111R815 L816 M817N813-R815 PolarHBondContact O-N 3.2Å; N813-L816 PolarHBondContact O-N 2.96Å; N813-M817 PolarHBondContact O-N 3.47Å
814N37Very low36.7Very low107 Ų107109.3 Ų109.357%0.57256%0.557SS**Hα-helixtrans-60.7-26.5170.9-78.8-36.8000113.1N812 N818N812-N814 VanDerWaalsContact C-N 3.34Å; N812-N814 PolarHBondContact O-N 3.32Å; N814-N818 WeakPolarHBondContact O-CB 3.49Å; N814-N818 PolarHBondContact O-N 3.29Å; N814-N818 VanDerWaalsContact O-N 3.12Å; N814-N818 PolarHBondContact O-ND2 3.18Å
815R37.6Very low36.9Very low176 Ų176109 Ų10966%0.66455%0.546SS*.Hα-helixtrans-81.4-36.6178.1-152.5176.1-170.31792.8112.3N812 N813 N819N812-R815 CarbonylContact O-C 3.44Å; N812-R815 WeakPolarHBondContact O-CA 3.13Å; N812-R815 VanDerWaalsContact O-CB 3.28Å; N812-R815 WeakPolarHBondContact O-CB 3.43Å; N812-R815 PolarHBondContact O-N 2.9Å; N813-R815 PolarHBondContact O-N 3.2Å; R815-N819 PolarHBondContact O-N 3.33Å; R815-N819 VanDerWaalsContact O-N 3.08Å
816L35.5Very low37.1Very low108 Ų108107.5 Ų107.557%0.56553%0.533SS*.Hα-helixtrans-62-50.4166.9-95.782.8000110.7N812 N813 N818 N819 C820N812-L816 PolarHBondContact O-N 3.12Å; N813-L816 PolarHBondContact O-N 2.96Å; L816-N818 VanDerWaalsContact C-N 3.29Å; L816-N818 PolarHBondContact O-N 3.43Å; L816-N819 PolarHBondContact O-N 2.75Å; L816-C820 PolarHBondContact O-N 3.43Å; L816-C820 PolarHBondContact O-SG 2.96Å
817M35.6Very low37.3Very low37 Ų37102 Ų10218%0.18250%0.504CS..Hα-helixtrans-50.8-47.1175.9-95.7-78.4-80.500112.3L655 N813 H821L655-M817 HydrophobicContact CD1-SD 4.49Å; N813-M817 PolarHBondContact O-N 3.47Å; M817-H821 WeakPolarHBondContact O-CB 3.5Å; M817-H821 VanDerWaalsContact O-CG 3.29Å; M817-H821 PolarHBondContact O-N 3.28Å; M817-H821 PolarHBondContact O-ND1 3.16Å
818N39.6Very low37.3Very low109 Ų10997.4 Ų97.458%0.58348%0.483SS*.Hα-helixtrans-65.6-36.2176.7-87.2-80.3000113.7N814 L816 R822N814-N818 WeakPolarHBondContact O-CB 3.49Å; N814-N818 PolarHBondContact O-N 3.29Å; N814-N818 VanDerWaalsContact O-N 3.12Å; N814-N818 PolarHBondContact O-ND2 3.18Å; L816-N818 VanDerWaalsContact C-N 3.29Å; L816-N818 PolarHBondContact O-N 3.43Å; N818-R822 WeakPolarHBondContact O-CB 3.41Å; N818-R822 PolarHBondContact O-N 3.33Å
819N40Very low37.4Very low102 Ų10295 Ų9555%0.54547%0.474SS..Hα-helixtrans-70.9-47.1176.1-77.8-4.9000111.8R815 L816 H821 R822 Q823R815-N819 PolarHBondContact O-N 3.33Å; R815-N819 VanDerWaalsContact O-N 3.08Å; L816-N819 PolarHBondContact O-N 2.75Å; N819-H821 VanDerWaalsContact C-N 3.31Å; N819-H821 PolarHBondContact O-N 3.43Å; N819-R822 PolarHBondContact O-N 2.83Å; N819-R822 VanDerWaalsContact O-N 3.11Å; N819-Q823 PolarHBondContact O-N 2.86Å
820C35.4Very low37.4Very low35 Ų3591.3 Ų91.324%0.23646%0.46CS..Hα-helixtrans-64.4-35.6175.8-61.90000111.7L816 L824L816-C820 PolarHBondContact O-N 3.43Å; L816-C820 PolarHBondContact O-SG 2.96Å; C820-L824 WeakPolarHBondContact O-CB 3.48Å; C820-L824 PolarHBondContact O-N 3.19Å
821H39.5Very low37.2Very low55 Ų5589.7 Ų89.726%0.25545%0.445SS..Hα-helixtrans-63.2-43.1170-84.932.7000112.1M817 N819 L824 L825M817-H821 WeakPolarHBondContact O-CB 3.5Å; M817-H821 VanDerWaalsContact O-CG 3.29Å; M817-H821 PolarHBondContact O-N 3.28Å; M817-H821 PolarHBondContact O-ND1 3.16Å; N819-H821 VanDerWaalsContact C-N 3.31Å; N819-H821 PolarHBondContact O-N 3.43Å; H821-L824 CarbonylContact O-C 3.52Å; H821-L825 VanDerWaalsContact O-CB 3.31Å; H821-L825 WeakPolarHBondContact O-CB 3.48Å; H821-L825 WeakPolarHBondContact O-CD1 3.37Å; H821-L825 WeakPolarHBondContact O-CG 3.21Å; H821-L825 PolarHBondContact O-N 3.13Å
822R42.8Very low36.8Very low187 Ų18785.9 Ų85.971%0.70644%0.436SS*.Hα-helixtrans-64.7-43.6177.1-177.7-178.3-77.1-129.6-0111.7N818 N819 L825 T826N818-R822 WeakPolarHBondContact O-CB 3.41Å; N818-R822 PolarHBondContact O-N 3.33Å; N819-R822 PolarHBondContact O-N 2.83Å; N819-R822 VanDerWaalsContact O-N 3.11Å; R822-L825 WeakPolarHBondContact O-CB 3.36Å; R822-L825 PolarHBondContact O-N 3.01Å; R822-L825 VanDerWaalsContact O-N 3.07Å; R822-T826 PolarHBondContact O-N 3.08Å; R822-T826 PolarHBondContact O-OG1 3.24Å
823Q41.6Very low36.4Very low91 Ų9186.8 Ų86.843%0.42544%0.441SS..Hα-helixtrans-64-49.9177.7-163.862.755.800110.9Y662 N819 L825 T826 D827Y662-Q823 WeakPolarHBondContact OH-CG 3.01Å; N819-Q823 PolarHBondContact O-N 2.86Å; Q823-L825 PolarHBondContact O-N 3.15Å; Q823-T826 PolarHBondContact NE2-OG1 3.23Å; Q823-T826 PolarHBondContact O-N 3.06Å; Q823-T826 VanDerWaalsContact O-N 3.13Å; Q823-T826 PolarHBondContact O-OG1 3.47Å; Q823-D827 WeakPolarHBondContact CG-OD2 3.48Å; Q823-D827 PolarHBondContact NE2-OD1 2.91Å; Q823-D827 WeakPolarHBondContact O-CB 3.44Å; Q823-D827 PolarHBondContact O-N 3.43Å; Q823-D827 VanDerWaalsContact O-OD1 3.07Å
824L35.3Very low36.1Very low21 Ų2184.3 Ų84.311%0.1143%0.427CS..Hα-helixtrans-68.5-0.2171.7-74.5175.3000114.7F658 Y662 Y665 K737 C820 H821 S828F658-L824 HydrophobicContact CE2-CD1 3.76Å; F658-L824 HydrophobicContact CZ-CD1 3.51Å; Y662-L824 HydrophobicContact CD2-CD1 4.44Å; Y662-L824 HydrophobicContact CD2-CD2 4.38Å; Y662-L824 HydrophobicContact CE2-CD1 4.27Å; Y662-L824 HydrophobicContact CE2-CD2 3.78Å; Y662-L824 HydrophobicContact CE2-CG 3.91Å; Y665-L824 HydrophobicContact CE1-CD2 4.47Å; K737-L824 HydrophobicContact CD-CD1 4.33Å; K737-L824 PolarHBondContact NZ-O 2.91Å; C820-L824 WeakPolarHBondContact O-CB 3.48Å; C820-L824 PolarHBondContact O-N 3.19Å; H821-L824 CarbonylContact O-C 3.52Å; L824-S828 WeakPolarHBondContact O-CB 3.24Å
825L39.6Very low35.7Very low111 Ų11182 Ų8258%0.58141%0.414SS*.Hα-helixtrans-97.7-34.4169.5-81.6166.2000111.5H821 R822 Q823 S829H821-L825 VanDerWaalsContact O-CB 3.31Å; H821-L825 WeakPolarHBondContact O-CB 3.48Å; H821-L825 WeakPolarHBondContact O-CD1 3.37Å; H821-L825 WeakPolarHBondContact O-CG 3.21Å; H821-L825 PolarHBondContact O-N 3.13Å; R822-L825 WeakPolarHBondContact O-CB 3.36Å; R822-L825 PolarHBondContact O-N 3.01Å; R822-L825 VanDerWaalsContact O-N 3.07Å; Q823-L825 PolarHBondContact O-N 3.15Å; L825-S829 VanDerWaalsContact O-CB 3.27Å; L825-S829 WeakPolarHBondContact O-CB 3.37Å; L825-S829 PolarHBondContact O-N 3.3Å; L825-S829 PolarHBondContact O-OG 3.46Å; L825-S829 VanDerWaalsContact O-OG 3.14Å
826T39.1Very low35.3Very low60 Ų6079 Ų7937%0.36842%0.418SS..Hα-helixtrans-69.6-51.5168.548.10000110.8R822 Q823 S828 S829 D830R822-T826 PolarHBondContact O-N 3.08Å; R822-T826 PolarHBondContact O-OG1 3.24Å; Q823-T826 PolarHBondContact NE2-OG1 3.23Å; Q823-T826 PolarHBondContact O-N 3.06Å; Q823-T826 VanDerWaalsContact O-N 3.13Å; Q823-T826 PolarHBondContact O-OG1 3.47Å; T826-S828 PolarHBondContact O-N 3.5Å; T826-S829 WeakPolarHBondContact CA-OG 3.25Å; T826-S829 PolarHBondContact O-N 3.1Å; T826-S829 PolarHBondContact O-OG 2.91Å; T826-D830 PolarHBondContact O-N 3.05Å; T826-D830 VanDerWaalsContact O-N 3.13Å
827D36.9Very low35Very low17 Ų1778 Ų789%0.09142%0.419CS..Hα-helixtrans-65.1-31.1-174.6-51.6-6.5000111Q823 Y831Q823-D827 WeakPolarHBondContact CG-OD2 3.48Å; Q823-D827 PolarHBondContact NE2-OD1 2.91Å; Q823-D827 WeakPolarHBondContact O-CB 3.44Å; Q823-D827 PolarHBondContact O-N 3.43Å; Q823-D827 VanDerWaalsContact O-OD1 3.07Å; D827-Y831 WeakPolarHBondContact O-CD2 3.29Å
828S32.7Very low34.6Very low48 Ų4882.3 Ų82.334%0.33644%0.443SS..Hα-helixtrans-88.8-15.7175.1-165.50000114.2L824 T826L824-S828 WeakPolarHBondContact O-CB 3.24Å; T826-S828 PolarHBondContact O-N 3.5Å
829S32.9Very low33.9Very low58 Ų5885.9 Ų85.941%0.40646%0.456SS..Hα-helixtrans-75.6-31.2169.759.90000111.7L825 T826 N833L825-S829 VanDerWaalsContact O-CB 3.27Å; L825-S829 WeakPolarHBondContact O-CB 3.37Å; L825-S829 PolarHBondContact O-N 3.3Å; L825-S829 PolarHBondContact O-OG 3.46Å; L825-S829 VanDerWaalsContact O-OG 3.14Å; T826-S829 WeakPolarHBondContact CA-OG 3.25Å; T826-S829 PolarHBondContact O-N 3.1Å; T826-S829 PolarHBondContact O-OG 2.91Å; S829-N833 PolarHBondContact O-ND2 3.1Å
830D34.4Very low33.2Very low106 Ų10689.8 Ų89.857%0.56748%0.483SS*.Hα-helixtrans-74.3-28178.3-63.5-8.3000111.8T826T826-D830 PolarHBondContact O-N 3.05Å; T826-D830 VanDerWaalsContact O-N 3.13Å
831Y32.1Very low33.1Very low99 Ų9992.6 Ų92.639%0.38850%0.496SS..Hα-helixtrans-80.2-35179-99-93.8000115.2Y669 D827 N833Y669-Y831 AromaticContact CE2-CE2 3.82Å; Y669-Y831 HydrophobicContact CE2-CE2 3.82Å; D827-Y831 WeakPolarHBondContact O-CD2 3.29Å; Y831-N833 VanDerWaalsContact C-N 3.27Å; Y831-N833 PolarHBondContact O-N 3.27Å
832S31.5Very low32.8Very low60 Ų6094.5 Ų94.542%0.4251%0.508SS..THydrogen-bonded Turntrans-91.135.1-176.3-70.40000114.3E586E586-S832 PolarHBondContact OE1-OG 3.41Å
833N29.7Very low32.2Very low118 Ų11889.4 Ų89.463%0.63150%0.497SS*.THydrogen-bonded Turntrans-135.714.7174.1-73.9-76.8000112.8S829 Y831S829-N833 PolarHBondContact O-ND2 3.1Å; Y831-N833 VanDerWaalsContact C-N 3.27Å; Y831-N833 PolarHBondContact O-N 3.27Å
834L28.5Very low31.7Very low65 Ų6589.3 Ų89.334%0.3450%0.502SS..  trans-125133.1-175.2-68.9172.3000111.1
835L29.5Very low31.4Very low58 Ų5893.6 Ų93.630%0.30453%0.526SS..  trans78.2150.8-165.1-66113.5000113.4
836P29.9Very low30.9Very low114 Ų11492.4 Ų92.474%0.7452%0.522SS*.  cis-92142.618.336.2-34.9000115.4
837C27.8Very low30.3Very low86 Ų8694.7 Ų94.758%0.58153%0.533SS*.  trans-150.1115.8157.5-158.20000108
838N26.9Very low29.8Very low129 Ų129100.7 Ų100.769%0.6957%0.567SS**  trans-154.772.7-176.1-130.7-7000109.6
839Q26Very low29.5Very low184 Ų184105.1 Ų105.186%0.8659%0.587SS**  trans-168.1146.1164.6-111.3170.810.300109
840V25.3Very low29.2Very low184 Ų184109.4 Ų109.4100%1.11560%0.603SS**  trans77.90-160.4-1710000113M581M581-V840 WeakPolarHBondContact CE-O 3.42Å

Retrieved 840 of 840 residues in 132.7 ms (Link to these results)

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