A0A096NE45_PAPAN Loading...

E3 ubiquitin-protein ligase TRIM32

AlphaFold DB (A0A2K5UF62), UniProt , Accession A0A096NE45, Species PAPAN (Papio anubis, Olive baboon), Gene TRIM32, Length 653 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
1M34.1Very low38.5Very low248 Ų248126.2 Ų126.2100%1.22280%0.803SS**  081.50-76.9-143.6-74.600109.9
2A25.7Very low39.9Very low109 Ų109122.9 Ų122.990%0.90178%0.775SS**  trans-161.244.7173.200000111.2
3A26.6Very low41.4Very low102 Ų102117.1 Ų117.184%0.84375%0.745SS**SBendtrans-140.813.1177.100000113.1
4A31Very low43Very low108 Ų108111.1 Ų111.189%0.89371%0.705SS**  trans-112.827.1-168.800000113.7
5A28.8Very low44.3Very low98 Ų98109.8 Ų109.881%0.8168%0.681SS**  trans-134.329.9-179.800000113.7S7A5-S7 PolarHBondContact O-N 3.03Å
6A32.2Very low45.6Very low102 Ų102112.1 Ų112.184%0.84368%0.681SS**  trans-86.495.6160.400000107.5
7S37.7Very low47.1Very low103 Ų103110.1 Ų110.172%0.7267%0.669SS**  trans-55.7141.217940.80000112.1A5 L9A5-S7 PolarHBondContact O-N 3.03Å; S7-L9 PolarHBondContact O-N 3.01Å
8H45Very low48.6Very low200 Ų200105.2 Ų105.293%0.92664%0.638SS**  trans-43.892.5179.8-75.1-100.3000114.3
9L50.5Low50.1Low119 Ų119101.6 Ų101.662%0.62361%0.614SS**  trans-77.9118155.5-83.7145.8000107.3S7 L11 L14S7-L9 PolarHBondContact O-N 3.01Å; L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.91Å; L9-L14 HydrophobicContact CB-CD1 3.91Å; L9-L14 HydrophobicContact CD2-CD1 3.72Å; L9-L14 HydrophobicContact CD2-CD2 4.48Å; L9-L14 HydrophobicContact CD2-CG 4.31Å; L9-L14 HydrophobicContact CG-CD1 4.31Å
10N55.9Low51.7Low109 Ų10996.6 Ų96.658%0.58358%0.583SS**  trans-69.595.5171.5-172.5-14.5000108.1D12 A13 L14N10-D12 PolarHBondContact O-N 3.48Å; N10-D12 PolarHBondContact OD1-N 3.39Å; N10-A13 HydrophobicContact CB-CB 4.04Å; N10-A13 WeakPolarHBondContact O-CB 3.39Å; N10-A13 PolarHBondContact O-N 3.33Å; N10-L14 PolarHBondContact O-N 2.95Å; N10-L14 VanDerWaalsContact O-N 3.1Å
11L55.6Low52.8Low90 Ų9094.8 Ų94.847%0.47157%0.573SS.*Hα-helixtrans-59.6-28-176.1-70.9157.9000112.2L9 L14 R15 L98L9-L11 VanDerWaalsContact C-N 3.33Å; L9-L11 PolarHBondContact O-N 2.91Å; L11-L14 HydrophobicContact CD2-CD1 4.4Å; L11-R15 VanDerWaalsContact O-CB 3.31Å; L11-R15 WeakPolarHBondContact O-CB 3.41Å; L11-R15 PolarHBondContact O-N 3.39Å; L11-L98 HydrophobicContact CD2-CD1 3.83Å
12D55.8Low55Low87 Ų8786.2 Ų86.247%0.46553%0.532SS..Hα-helixtrans-72.1-29.4173.8-76.5-41.2000112.5N10 R15N10-D12 PolarHBondContact O-N 3.48Å; N10-D12 PolarHBondContact OD1-N 3.39Å; D12-R15 WeakPolarHBondContact O-CB 3.49Å; D12-R15 IonicContact OD1-CZ 3.84Å; D12-R15 IonicContact OD1-NE 2.85Å; D12-R15 IonicContact OD1-NH1 2.98Å; D12-R15 PolarHBondContact OD1-NH1 3.48Å; D12-R15 IonicContact OD1-NH2 3.63Å; D12-R15 PolarHBondContact OD1-NH2 3.13Å
13A59.5Low57.6Low47 Ų4783.1 Ų83.139%0.38850%0.503SS..Hα-helixtrans-79.7-37.3176.500000112.1N10 R15 E16 V17N10-A13 HydrophobicContact CB-CB 4.04Å; N10-A13 WeakPolarHBondContact O-CB 3.39Å; N10-A13 PolarHBondContact O-N 3.33Å; A13-R15 PolarHBondContact O-N 3.2Å; A13-E16 PolarHBondContact O-N 3.38Å; A13-V17 WeakPolarHBondContact O-CG2 3.31Å
14L63.7Low59.8Low34 Ų3484.4 Ų84.418%0.17849%0.493CS..Hα-helixtrans-60.1-35.1171.1-84.2162.2000112L9 N10 L11 V17 L18 I85L9-L14 HydrophobicContact CB-CD1 3.91Å; L9-L14 HydrophobicContact CD2-CD1 3.72Å; L9-L14 HydrophobicContact CD2-CD2 4.48Å; L9-L14 HydrophobicContact CD2-CG 4.31Å; L9-L14 HydrophobicContact CG-CD1 4.31Å; N10-L14 PolarHBondContact O-N 2.95Å; N10-L14 VanDerWaalsContact O-N 3.1Å; L11-L14 HydrophobicContact CD2-CD1 4.4Å; L14-V17 PolarHBondContact O-N 3Å; L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 3.17Å; L14-I85 HydrophobicContact CD2-CG2 4.46Å
15R62.4Low61.9Low91 Ų9182 Ų8234%0.34346%0.464SS..Hα-helixtrans-61.9-41.2-179.5-173.5177.184.5-161.2-14.4113.2L11 D12 A13 V17 L107L11-R15 VanDerWaalsContact O-CB 3.31Å; L11-R15 WeakPolarHBondContact O-CB 3.41Å; L11-R15 PolarHBondContact O-N 3.39Å; D12-R15 WeakPolarHBondContact O-CB 3.49Å; D12-R15 IonicContact OD1-CZ 3.84Å; D12-R15 IonicContact OD1-NE 2.85Å; D12-R15 IonicContact OD1-NH1 2.98Å; D12-R15 PolarHBondContact OD1-NH1 3.48Å; D12-R15 IonicContact OD1-NH2 3.63Å; D12-R15 PolarHBondContact OD1-NH2 3.13Å; A13-R15 PolarHBondContact O-N 3.2Å; R15-V17 VanDerWaalsContact C-N 3.34Å; R15-L107 HydrophobicContact CB-CD1 4.5Å; R15-L107 HydrophobicContact CG-CD1 3.03Å; R15-L107 HydrophobicContact CG-CD2 3.51Å; R15-L107 HydrophobicContact CG-CG 3.8Å
16E64.4Low64Low147 Ų14778.9 Ų78.969%0.68744%0.436SS*.Hα-helixtrans-74.4-24.7179.4-67.8178.3179.800113A13A13-E16 PolarHBondContact O-N 3.38Å
17V71.2Confident66.3Low78 Ų7874.5 Ų74.547%0.47340%0.398SS..Hα-helixtrans-80.4-21.1-178.61760000112.4A13 L14 R15 V82A13-V17 WeakPolarHBondContact O-CG2 3.31Å; L14-V17 PolarHBondContact O-N 3Å; R15-V17 VanDerWaalsContact C-N 3.34Å; V17-V82 HydrophobicContact CG1-CG2 4.31Å
18L74.3Confident67.9Low21 Ų2172.2 Ų72.211%0.1138%0.38CS..SBendtrans-98.70.2-173.8-66.5176.3000114.5L14 S26 F27 V82 I85 I86L14-L18 WeakPolarHBondContact O-CG 3.35Å; L14-L18 PolarHBondContact O-N 3.17Å; L18-S26 WeakPolarHBondContact O-CA 3.38Å; L18-F27 VanDerWaalsContact C-CD2 3.45Å; L18-F27 VanDerWaalsContact O-CD2 3.26Å; L18-F27 WeakPolarHBondContact O-CD2 3.32Å; L18-F27 PolarHBondContact O-N 2.92Å; L18-V82 HydrophobicContact CD2-CG1 4.16Å; L18-I85 HydrophobicContact CD1-CG2 4.42Å; L18-I85 HydrophobicContact CD2-CB 4.38Å; L18-I85 HydrophobicContact CD2-CG2 3.9Å; L18-I86 HydrophobicContact CD2-CG1 4.06Å
19E77.4Confident69.2Low38 Ų3867 Ų6718%0.17836%0.356CS..BIsolated β-bridgetrans-110.8145.4179.9-66.3-171151.800112.6P21 F27 L107E19-P21 WeakPolarHBondContact O-CD 3.28Å; E19-F27 VanDerWaalsContact C-CE2 3.44Å; E19-F27 VanDerWaalsContact O-CE2 3.24Å; E19-F27 WeakPolarHBondContact O-CE2 3.43Å; E19-F27 WeakPolarHBondContact O-CZ 3.36Å; E19-L107 HydrophobicContact CG-CD1 4.47Å; E19-L107 WeakPolarHBondContact OE1-CD1 3.44Å; E19-L107 VanDerWaalsContact OE1-CG 3.29Å; E19-L107 WeakPolarHBondContact OE1-CG 3.46Å
20C81.4Confident70.3Confident0 Ų068.9 Ų68.90%036%0.361CS..  trans-72.7123.6168.4179.30000109.7I22 C23 M24 E25 F27 C44C20-I22 PolarHBondContact O-N 3.07Å; C20-C23 WeakPolarHBondContact CB-SG 3.4Å; C20-M24 VanDerWaalsContact O-CA 3.23Å; C20-M24 WeakPolarHBondContact O-CA 3.2Å; C20-M24 PolarHBondContact O-N 2.91Å; C20-E25 PolarHBondContact N-O 3.25Å; C20-F27 HydrophobicContact CB-CD1 4.3Å; C20-F27 HydrophobicContact CB-CE1 3.67Å; C20-F27 HydrophobicContact CB-CZ 4.09Å; C20-C44 HydrophobicContact CB-CB 3.91Å; C20-C44 PolarHBondContact SG-N 2.76Å; C20-C44 VanDerWaalsContact SG-N 3.45Å; C20-C44 PolarHBondContact SG-SG 3.46Å
21P76.5Confident71.2Confident59 Ų5970.3 Ų70.338%0.38336%0.364SS..THydrogen-bonded Turntrans-72.9-2-175.431.7-38.7000114.1E19 F63E19-P21 WeakPolarHBondContact O-CD 3.28Å; P21-F63 HydrophobicContact CB-CE1 3.87Å; P21-F63 HydrophobicContact CB-CE2 4.07Å; P21-F63 HydrophobicContact CB-CZ 3.37Å; P21-F63 HydrophobicContact CG-CE1 4.22Å; P21-F63 HydrophobicContact CG-CE2 3.49Å; P21-F63 VanDerWaalsContact CG-CE2 3.49Å; P21-F63 HydrophobicContact CG-CZ 3.33Å
22I79.7Confident72.2Confident69 Ų6966.6 Ų66.635%0.35435%0.345SS..THydrogen-bonded Turntrans-99.2-51.4176.8-59.2-177000111.2C20 I43 C47 L51 P62 F63C20-I22 PolarHBondContact O-N 3.07Å; I22-I43 HydrophobicContact CD1-CD1 4.09Å; I22-I43 HydrophobicContact CD1-CG1 4.46Å; I22-I43 HydrophobicContact CD1-CG2 3.6Å; I22-I43 HydrophobicContact CG1-CG2 4.3Å; I22-C47 HydrophobicContact CB-CB 4.19Å; I22-C47 HydrophobicContact CD1-CB 4.08Å; I22-C47 HydrophobicContact CG2-CB 4.2Å; I22-L51 HydrophobicContact CD1-CD1 3.76Å; I22-P62 HydrophobicContact CD1-CG 4.02Å; I22-F63 HydrophobicContact CG1-CE2 4.42Å; I22-F63 HydrophobicContact CG1-CZ 4.22Å
23C79.1Confident73.6Confident44 Ų4466.2 Ų66.230%0.29734%0.337SS..THydrogen-bonded Turntrans-95-9.2-178.862.20000113.8C20 E25C20-C23 WeakPolarHBondContact CB-SG 3.4Å; C23-E25 HydrophobicContact CB-CG 4.37Å; C23-E25 WeakPolarHBondContact O-CG 3.33Å; C23-E25 PolarHBondContact O-N 3.18Å
24M73.4Confident74.8Confident129 Ų12964 Ų6464%0.63532%0.318SS*.  trans54.830.5-177-53.3-178.9-174.700112.9C20C20-M24 VanDerWaalsContact O-CA 3.23Å; C20-M24 WeakPolarHBondContact O-CA 3.2Å; C20-M24 PolarHBondContact O-N 2.91Å
25E74.8Confident75.8Confident57 Ų5763.5 Ų63.527%0.26632%0.315SS..  trans-109.2148.8174.9-57.4-163158.100109.6C20 C23 L32 R106C20-E25 PolarHBondContact N-O 3.25Å; C23-E25 HydrophobicContact CB-CG 4.37Å; C23-E25 WeakPolarHBondContact O-CG 3.33Å; C23-E25 PolarHBondContact O-N 3.18Å; E25-L32 HydrophobicContact CB-CD1 3.67Å; E25-R106 IonicContact OE1-CZ 3.42Å; E25-R106 IonicContact OE1-NE 3.53Å; E25-R106 IonicContact OE1-NH2 2.68Å; E25-R106 PolarHBondContact OE1-NH2 3.47Å
26S73.7Confident76.9Confident32 Ų3261.4 Ų61.422%0.22431%0.31CS..BIsolated β-bridgetrans-64.5140.7179.453.80000111.5L18 L32L18-S26 WeakPolarHBondContact O-CA 3.38Å; S26-L32 VanDerWaalsContact O-CD1 3.24Å; S26-L32 WeakPolarHBondContact O-CD1 3.33Å
27F79.9Confident77.9Confident10 Ų1054.7 Ų54.74%0.04428%0.279CS..  trans-64140.4175.3-65.7-61.9000110.6L18 E19 C20 L32 P34 T42 C44 V82 I86L18-F27 VanDerWaalsContact C-CD2 3.45Å; L18-F27 VanDerWaalsContact O-CD2 3.26Å; L18-F27 WeakPolarHBondContact O-CD2 3.32Å; L18-F27 PolarHBondContact O-N 2.92Å; E19-F27 VanDerWaalsContact C-CE2 3.44Å; E19-F27 VanDerWaalsContact O-CE2 3.24Å; E19-F27 WeakPolarHBondContact O-CE2 3.43Å; E19-F27 WeakPolarHBondContact O-CZ 3.36Å; C20-F27 HydrophobicContact CB-CD1 4.3Å; C20-F27 HydrophobicContact CB-CE1 3.67Å; C20-F27 HydrophobicContact CB-CZ 4.09Å; F27-L32 WeakPolarHBondContact CA-O 3.49Å; F27-L32 VanDerWaalsContact CD1-O 3.3Å; F27-L32 WeakPolarHBondContact CD1-O 3.36Å; F27-P34 HydrophobicContact CB-CB 4.34Å; F27-P34 HydrophobicContact CB-CG 4.22Å; F27-P34 HydrophobicContact CD1-CB 3.66Å; F27-P34 HydrophobicContact CD1-CG 4.39Å; F27-P34 HydrophobicContact CD2-CB 4.11Å; F27-P34 HydrophobicContact CE1-CB 3.86Å; F27-P34 HydrophobicContact CE2-CB 4.3Å; F27-P34 HydrophobicContact CG-CB 3.79Å; F27-P34 HydrophobicContact CG-CG 4.2Å; F27-P34 HydrophobicContact CZ-CB 4.17Å; F27-T42 HydrophobicContact CE1-CG2 4.36Å; F27-T42 HydrophobicContact CE2-CG2 4.26Å; F27-T42 HydrophobicContact CZ-CG2 3.83Å; F27-C44 HydrophobicContact CD1-CB 3.97Å; F27-C44 HydrophobicContact CE1-CB 3.86Å; F27-V82 HydrophobicContact CB-CG1 4.26Å; F27-V82 HydrophobicContact CD2-CG1 3.65Å; F27-V82 HydrophobicContact CE2-CG1 4.34Å; F27-V82 HydrophobicContact CG-CG1 4.24Å; F27-I86 HydrophobicContact CB-CD1 3.91Å; F27-I86 WeakPolarHBondContact O-CD1 3.47Å
28T72.8Confident78.4Confident56 Ų5657.4 Ų57.434%0.34429%0.287SS..  trans-128.4159.9177.863.20000109.8E30 L32 R33T28-E30 PolarHBondContact O-N 2.95Å; T28-L32 HydrophobicContact CG2-CB 4.49Å; T28-L32 PolarHBondContact N-O 2.65Å; T28-L32 VanDerWaalsContact N-O 3.09Å; T28-L32 CarbonylContact O-C 3.57Å; T28-L32 VanDerWaalsContact O-C 3.26Å; T28-L32 WeakPolarHBondContact OG1-CB 3.49Å; T28-L32 PolarHBondContact OG1-N 3.46Å; T28-R33 WeakPolarHBondContact O-CA 3.44Å; T28-R33 PolarHBondContact O-N 3.43Å
29E71.6Confident78.7Confident91 Ų9157.8 Ų57.843%0.42529%0.291SS..SBendtrans-64.4-27.6-176.7-62-155.1108.600113.7R33E29-R33 VanDerWaalsContact O-CD 3.28Å; E29-R33 WeakPolarHBondContact O-CD 3.39Å; E29-R33 WeakPolarHBondContact O-CG 3.35Å; E29-R33 PolarHBondContact O-NH1 2.68Å
30E73.1Confident78.8Confident157 Ų15758.5 Ų58.573%0.73431%0.308SS*.SBendtrans-105.7-79.1-172.5-61.7-172.1167.600112.6T28T28-E30 PolarHBondContact O-N 2.95Å
31Q74.4Confident78.9Confident139 Ų13961.7 Ų61.765%0.6532%0.323SS*.THydrogen-bonded Turntrans-77.1-41-167.9-63.3-178.23.200112.5
32L78Confident79.3Confident13 Ų1360.2 Ų60.27%0.06831%0.312CS..THydrogen-bonded Turntrans-10543.1179.9-63.2171.4000110.7E25 S26 F27 T28 C44 Q46E25-L32 HydrophobicContact CB-CD1 3.67Å; S26-L32 VanDerWaalsContact O-CD1 3.24Å; S26-L32 WeakPolarHBondContact O-CD1 3.33Å; F27-L32 WeakPolarHBondContact CA-O 3.49Å; F27-L32 VanDerWaalsContact CD1-O 3.3Å; F27-L32 WeakPolarHBondContact CD1-O 3.36Å; T28-L32 HydrophobicContact CG2-CB 4.49Å; T28-L32 PolarHBondContact N-O 2.65Å; T28-L32 VanDerWaalsContact N-O 3.09Å; T28-L32 CarbonylContact O-C 3.57Å; T28-L32 VanDerWaalsContact O-C 3.26Å; T28-L32 WeakPolarHBondContact OG1-CB 3.49Å; T28-L32 PolarHBondContact OG1-N 3.46Å; L32-C44 HydrophobicContact CB-CB 4.12Å; L32-C44 HydrophobicContact CD2-CB 3.91Å; L32-C44 VanDerWaalsContact CD2-SG 3.51Å; L32-Q46 HydrophobicContact CD2-CB 4.33Å
33R83.4Confident79.6Confident78 Ų7856.9 Ų56.929%0.29430%0.295SS..  trans-66.1126.7-178.5-160.6174.4-179.5100.3-0.4111.3T28 E29 K35 C44 R45 D78 L83T28-R33 WeakPolarHBondContact O-CA 3.44Å; T28-R33 PolarHBondContact O-N 3.43Å; E29-R33 VanDerWaalsContact O-CD 3.28Å; E29-R33 WeakPolarHBondContact O-CD 3.39Å; E29-R33 WeakPolarHBondContact O-CG 3.35Å; E29-R33 PolarHBondContact O-NH1 2.68Å; R33-K35 PolarHBondContact O-N 2.95Å; R33-C44 CarbonylContact O-C 3.43Å; R33-C44 WeakPolarHBondContact O-CA 3.45Å; R33-R45 HydrophobicContact CB-CB 4.4Å; R33-R45 PolarHBondContact O-N 3.37Å; R33-D78 IonicContact CZ-OD2 2.92Å; R33-D78 VanDerWaalsContact CZ-OD2 3.31Å; R33-D78 IonicContact NE-OD1 2.85Å; R33-D78 IonicContact NE-OD2 3.25Å; R33-D78 PolarHBondContact NE-OD2 2.75Å; R33-D78 IonicContact NH2-OD2 3.12Å; R33-D78 PolarHBondContact NH2-OD2 2.88Å; R33-L83 HydrophobicContact CG-CD1 4.45Å
34P85.9Confident79.9Confident0 Ų054.8 Ų54.80%028%0.281CS..EExtended strand (participates in β ladder)trans-75.1120.2-175.127.7-30.9000111.1F27 T42 D78 N79 V82 L83F27-P34 HydrophobicContact CB-CB 4.34Å; F27-P34 HydrophobicContact CB-CG 4.22Å; F27-P34 HydrophobicContact CD1-CB 3.66Å; F27-P34 HydrophobicContact CD1-CG 4.39Å; F27-P34 HydrophobicContact CD2-CB 4.11Å; F27-P34 HydrophobicContact CE1-CB 3.86Å; F27-P34 HydrophobicContact CE2-CB 4.3Å; F27-P34 HydrophobicContact CG-CB 3.79Å; F27-P34 HydrophobicContact CG-CG 4.2Å; F27-P34 HydrophobicContact CZ-CB 4.17Å; P34-T42 HydrophobicContact CB-CG2 3.45Å; P34-T42 VanDerWaalsContact CB-CG2 3.45Å; P34-D78 WeakPolarHBondContact O-CA 3.47Å; P34-N79 HydrophobicContact CB-CB 4.12Å; P34-N79 HydrophobicContact CG-CB 4.37Å; P34-N79 PolarHBondContact O-N 3.19Å; P34-V82 HydrophobicContact CB-CB 4.4Å; P34-V82 HydrophobicContact CB-CG1 4.17Å; P34-V82 HydrophobicContact CG-CB 4.06Å; P34-V82 HydrophobicContact CG-CG1 3.84Å; P34-L83 HydrophobicContact CG-CD2 4.03Å; P34-L83 HydrophobicContact CG-CG 3.89Å
35K85Confident80.5Confident25 Ų2554.3 Ų54.311%0.10927%0.272CS..EExtended strand (participates in β ladder)trans-110.8137.3179.4-70.1-67.8-168.6-1790110.9R33 T42 I43 L48 L76 D78R33-K35 PolarHBondContact O-N 2.95Å; K35-T42 WeakPolarHBondContact O-CA 3.5Å; K35-I43 PolarHBondContact N-O 3.44Å; K35-I43 PolarHBondContact O-N 2.86Å; K35-L48 HydrophobicContact CB-CD1 3.34Å; K35-L48 HydrophobicContact CG-CD1 3.9Å; K35-L76 HydrophobicContact CD-CB 4.21Å; K35-L76 PolarHBondContact NZ-O 3.07Å; K35-D78 VanDerWaalsContact CD-OD1 3.25Å; K35-D78 WeakPolarHBondContact CD-OD1 3.36Å; K35-D78 WeakPolarHBondContact CE-OD1 3.49Å; K35-D78 IonicContact NZ-OD1 2.72Å; K35-D78 PolarHBondContact NZ-OD1 3.23Å
36L85.9Confident81Confident47 Ų4755.4 Ų55.425%0.24628%0.277CS..EExtended strand (participates in β ladder)trans-90.5121.7177.4-78162.1000111T42 T77 N79L36-T42 WeakPolarHBondContact CD2-OG1 3.43Å; L36-T77 PolarHBondContact N-O 2.8Å; L36-N79 HydrophobicContact CD1-CB 3.96Å; L36-N79 HydrophobicContact CD2-CB 4.39Å; L36-N79 HydrophobicContact CG-CB 3.83Å
37L84Confident81.5Confident6 Ų654.3 Ų54.33%0.03127%0.27CS..  trans-75.6160.3167-67.7-179.7000110.8C39 G40 H41 I43 L48 V59 C61 T68 L76L37-C39 VanDerWaalsContact CB-SG 3.6Å; L37-C39 PolarHBondContact O-N 2.88Å; L37-G40 PolarHBondContact O-N 2.95Å; L37-H41 PolarHBondContact N-O 3.28Å; L37-I43 HydrophobicContact CD1-CD1 3.65Å; L37-I43 HydrophobicContact CG-CD1 4.46Å; L37-L48 HydrophobicContact CD2-CD2 3.9Å; L37-L48 HydrophobicContact CG-CD2 4.49Å; L37-V59 HydrophobicContact CD2-CB 4.46Å; L37-V59 HydrophobicContact CD2-CG1 4.33Å; L37-C61 HydrophobicContact CD1-CB 3.76Å; L37-T68 HydrophobicContact CD2-CG2 4.1Å; L37-L76 HydrophobicContact CD2-CD1 3.99Å
38H82Confident81.7Confident135 Ų13553.9 Ų53.963%0.62527%0.268SS*.THydrogen-bonded Turntrans-61.5-17.2178.4-63.5170.8000113.4G40 T68H38-G40 VanDerWaalsContact C-N 3.32Å; H38-T68 HydrophobicContact CB-CG2 4.25Å; H38-T68 PolarHBondContact N-OG1 3Å
39C81.3Confident82.2Confident29 Ų2954.8 Ų54.820%0.19627%0.268CS..THydrogen-bonded Turntrans-84-1.6173.362.20000114.3L37 H41 C61 C64 K66L37-C39 VanDerWaalsContact CB-SG 3.6Å; L37-C39 PolarHBondContact O-N 2.88Å; C39-H41 PolarHBondContact SG-ND1 2.97Å; C39-H41 VanDerWaalsContact SG-ND1 3.41Å; C39-C61 VanDerWaalsContact SG-SG 3.61Å; C39-C64 WeakPolarHBondContact CB-SG 3.48Å; C39-K66 HydrophobicContact CB-CB 3.98Å; C39-K66 HydrophobicContact CB-CD 3.77Å; C39-K66 HydrophobicContact CB-CG 4.44Å
40G78.5Confident82.7Confident52 Ų5257 Ų5754%0.53628%0.276SS..SBendtrans86.5-3-178.800000115.6L37 H38L37-G40 PolarHBondContact O-N 2.95Å; H38-G40 VanDerWaalsContact C-N 3.32Å
41H83.1Confident83.2Confident68 Ų6851.9 Ų51.932%0.31525%0.254SS..  trans-79.5139.9177.2-70101.6000111L37 C39 C64L37-H41 PolarHBondContact N-O 3.28Å; C39-H41 PolarHBondContact SG-ND1 2.97Å; C39-H41 VanDerWaalsContact SG-ND1 3.41Å; H41-C64 PolarHBondContact ND1-SG 3.49Å
42T84.7Confident83.4Confident27 Ų2747.4 Ų47.417%0.16623%0.234CC..EExtended strand (participates in β ladder)trans-102.1127.8-179.2-55.50000110.5F27 P34 K35 L36 N79F27-T42 HydrophobicContact CE1-CG2 4.36Å; F27-T42 HydrophobicContact CE2-CG2 4.26Å; F27-T42 HydrophobicContact CZ-CG2 3.83Å; P34-T42 HydrophobicContact CB-CG2 3.45Å; P34-T42 VanDerWaalsContact CB-CG2 3.45Å; K35-T42 WeakPolarHBondContact O-CA 3.5Å; L36-T42 WeakPolarHBondContact CD2-OG1 3.43Å; T42-N79 HydrophobicContact CG2-CB 3.97Å; T42-N79 PolarHBondContact OG1-ND2 3.21Å
43I86.1Confident83.3Confident0 Ų051.2 Ų51.20%027%0.268CS..EExtended strand (participates in β ladder)trans-135146.2179.1-57.3174.6000108.1I22 K35 L37 C47 L48 F63I22-I43 HydrophobicContact CD1-CD1 4.09Å; I22-I43 HydrophobicContact CD1-CG1 4.46Å; I22-I43 HydrophobicContact CD1-CG2 3.6Å; I22-I43 HydrophobicContact CG1-CG2 4.3Å; K35-I43 PolarHBondContact N-O 3.44Å; K35-I43 PolarHBondContact O-N 2.86Å; L37-I43 HydrophobicContact CD1-CD1 3.65Å; L37-I43 HydrophobicContact CG-CD1 4.46Å; I43-C47 HydrophobicContact CG2-CB 3.76Å; I43-L48 HydrophobicContact CB-CD1 4.27Å; I43-L48 HydrophobicContact CB-CD2 4.08Å; I43-L48 HydrophobicContact CB-CG 3.94Å; I43-L48 HydrophobicContact CD1-CD2 4.19Å; I43-L48 HydrophobicContact CG2-CD2 4.12Å; I43-L48 HydrophobicContact CG2-CG 3.82Å; I43-F63 HydrophobicContact CD1-CE2 4.27Å; I43-F63 HydrophobicContact CG1-CE2 4.34Å
44C87Confident82.7Confident0 Ų052 Ų520%029%0.285CS..EExtended strand (participates in β ladder)trans-69.8150.2179.375.60000111.2C20 F27 L32 R33 Q46 C47 L48C20-C44 HydrophobicContact CB-CB 3.91Å; C20-C44 PolarHBondContact SG-N 2.76Å; C20-C44 VanDerWaalsContact SG-N 3.45Å; C20-C44 PolarHBondContact SG-SG 3.46Å; F27-C44 HydrophobicContact CD1-CB 3.97Å; F27-C44 HydrophobicContact CE1-CB 3.86Å; L32-C44 HydrophobicContact CB-CB 4.12Å; L32-C44 HydrophobicContact CD2-CB 3.91Å; L32-C44 VanDerWaalsContact CD2-SG 3.51Å; R33-C44 CarbonylContact O-C 3.43Å; R33-C44 WeakPolarHBondContact O-CA 3.45Å; C44-Q46 VanDerWaalsContact C-N 3.3Å; C44-Q46 PolarHBondContact O-N 3.46Å; C44-C47 PolarHBondContact O-N 3.44Å; C44-C47 VanDerWaalsContact SG-CB 3.53Å; C44-C47 PolarHBondContact SG-N 2.83Å; C44-C47 VanDerWaalsContact SG-N 3.39Å; C44-C47 PolarHBondContact SG-SG 3.25Å; C44-L48 PolarHBondContact O-N 2.91Å
45R85.8Confident81.8Confident118 Ų11853.9 Ų53.945%0.44530%0.298SS..Hα-helixtrans-50.2-48.1178.9179.8-175.4160.8145.31.8112.5R33 C47 L48 E49R33-R45 HydrophobicContact CB-CB 4.4Å; R33-R45 PolarHBondContact O-N 3.37Å; R45-C47 PolarHBondContact O-N 3.1Å; R45-L48 WeakPolarHBondContact O-CB 3.37Å; R45-L48 PolarHBondContact O-N 2.84Å; R45-L48 VanDerWaalsContact O-N 3.14Å; R45-E49 IonicContact CZ-OE1 3.03Å; R45-E49 VanDerWaalsContact CZ-OE1 3.3Å; R45-E49 IonicContact NE-OE1 3.96Å; R45-E49 PolarHBondContact NE-OE1 2.8Å; R45-E49 IonicContact NH2-OE1 3.23Å; R45-E49 PolarHBondContact NH2-OE1 2.95Å; R45-E49 WeakPolarHBondContact O-CG 3.41Å; R45-E49 PolarHBondContact O-N 2.92Å
46Q85.7Confident80.8Confident80 Ų8060.8 Ų60.837%0.37434%0.335SS..Hα-helixtrans-63.2-38.3-177.6-165.1-178.117.600113.3L32 C44 K50L32-Q46 HydrophobicContact CD2-CB 4.33Å; C44-Q46 VanDerWaalsContact C-N 3.3Å; C44-Q46 PolarHBondContact O-N 3.46Å; Q46-K50 PolarHBondContact O-N 2.65Å
47C83.9Confident79.8Confident10 Ų1065.1 Ų65.17%0.06836%0.358CS..Hα-helixtrans-70.3-36.1174.4-74.40000111.6I22 I43 C44 R45 K50 L51I22-C47 HydrophobicContact CB-CB 4.19Å; I22-C47 HydrophobicContact CD1-CB 4.08Å; I22-C47 HydrophobicContact CG2-CB 4.2Å; I43-C47 HydrophobicContact CG2-CB 3.76Å; C44-C47 PolarHBondContact O-N 3.44Å; C44-C47 VanDerWaalsContact SG-CB 3.53Å; C44-C47 PolarHBondContact SG-N 2.83Å; C44-C47 VanDerWaalsContact SG-N 3.39Å; C44-C47 PolarHBondContact SG-SG 3.25Å; R45-C47 PolarHBondContact O-N 3.1Å; C47-K50 PolarHBondContact O-N 2.9Å; C47-L51 WeakPolarHBondContact O-CG 3.32Å; C47-L51 PolarHBondContact O-N 3.23Å; C47-L51 VanDerWaalsContact O-N 3.09Å
48L84.1Confident79.5Confident0 Ų065.2 Ų65.20%036%0.36CS..Hα-helixtrans-67.4-36.6174.8-74.1171.4000112.9K35 L37 I43 C44 R45 K50 L51 L52 V59 L73 L76K35-L48 HydrophobicContact CB-CD1 3.34Å; K35-L48 HydrophobicContact CG-CD1 3.9Å; L37-L48 HydrophobicContact CD2-CD2 3.9Å; L37-L48 HydrophobicContact CG-CD2 4.49Å; I43-L48 HydrophobicContact CB-CD1 4.27Å; I43-L48 HydrophobicContact CB-CD2 4.08Å; I43-L48 HydrophobicContact CB-CG 3.94Å; I43-L48 HydrophobicContact CD1-CD2 4.19Å; I43-L48 HydrophobicContact CG2-CD2 4.12Å; I43-L48 HydrophobicContact CG2-CG 3.82Å; C44-L48 PolarHBondContact O-N 2.91Å; R45-L48 WeakPolarHBondContact O-CB 3.37Å; R45-L48 PolarHBondContact O-N 2.84Å; R45-L48 VanDerWaalsContact O-N 3.14Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 3.33Å; L48-L51 PolarHBondContact O-N 3.17Å; L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 PolarHBondContact O-N 3.23Å; L48-V59 HydrophobicContact CD2-CG1 3.84Å; L48-L73 HydrophobicContact CB-CD2 3.83Å; L48-L76 HydrophobicContact CD1-CD1 4.02Å
49E83.5Confident79.5Confident75 Ų7558.8 Ų58.835%0.3533%0.331SS..Hα-helixtrans-57.7-45.4173.3-75.8173.8177.800111R45 L51 L52 A53 L73R45-E49 IonicContact CZ-OE1 3.03Å; R45-E49 VanDerWaalsContact CZ-OE1 3.3Å; R45-E49 IonicContact NE-OE1 3.96Å; R45-E49 PolarHBondContact NE-OE1 2.8Å; R45-E49 IonicContact NH2-OE1 3.23Å; R45-E49 PolarHBondContact NH2-OE1 2.95Å; R45-E49 WeakPolarHBondContact O-CG 3.41Å; R45-E49 PolarHBondContact O-N 2.92Å; E49-L51 PolarHBondContact O-N 2.88Å; E49-L52 PolarHBondContact O-N 3.16Å; E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 3.1Å; E49-L73 HydrophobicContact CB-CD1 4.13Å; E49-L73 HydrophobicContact CG-CD1 3.16Å
50K82.2Confident79.3Confident138 Ų13865.1 Ų65.160%0.635%0.35SS*.Hα-helixtrans-65.3-37.1176.9-66.6177.1-177.6179.30112.9Q46 C47 L48 S54Q46-K50 PolarHBondContact O-N 2.65Å; C47-K50 PolarHBondContact O-N 2.9Å; L48-K50 VanDerWaalsContact C-N 3.32Å; L48-K50 PolarHBondContact O-N 3.33Å; K50-S54 PolarHBondContact O-N 3.23Å; K50-S54 PolarHBondContact O-OG 3.07Å
51L81.6Confident79.4Confident49 Ų4962.7 Ų62.726%0.25733%0.325SS..Hα-helixtrans-73.7-33.5177.2-70173.6000112.7I22 C47 L48 E49 S54 S55 V59 P62I22-L51 HydrophobicContact CD1-CD1 3.76Å; C47-L51 WeakPolarHBondContact O-CG 3.32Å; C47-L51 PolarHBondContact O-N 3.23Å; C47-L51 VanDerWaalsContact O-N 3.09Å; L48-L51 PolarHBondContact O-N 3.17Å; E49-L51 PolarHBondContact O-N 2.88Å; L51-S54 WeakPolarHBondContact CA-OG 3.35Å; L51-S54 PolarHBondContact O-N 3.42Å; L51-S54 PolarHBondContact O-OG 3Å; L51-S54 VanDerWaalsContact O-OG 3.06Å; L51-S55 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-OG 2.97Å; L51-V59 HydrophobicContact CB-CG1 4.08Å; L51-V59 HydrophobicContact CD1-CG1 4.3Å; L51-P62 HydrophobicContact CD1-CG 4.24Å
52L80.4Confident79.1Confident46 Ų4662.8 Ų62.824%0.24133%0.332CS..Hα-helixtrans-70.5-41.4175-166.486.9000110.5L48 E49 S54 S55 V59 I70 L73L48-L52 WeakPolarHBondContact O-CB 3.48Å; L48-L52 PolarHBondContact O-N 3.23Å; E49-L52 PolarHBondContact O-N 3.16Å; L52-S54 PolarHBondContact O-N 3.1Å; L52-S54 VanDerWaalsContact O-N 3.11Å; L52-S55 PolarHBondContact O-N 3.44Å; L52-S55 VanDerWaalsContact O-N 3.09Å; L52-S55 VanDerWaalsContact O-O 3.08Å; L52-V59 HydrophobicContact CB-CG2 4.21Å; L52-V59 HydrophobicContact CD1-CG2 3.65Å; L52-I70 HydrophobicContact CD1-CD1 4.27Å; L52-I70 HydrophobicContact CD1-CG1 4.07Å; L52-L73 HydrophobicContact CD2-CG 4.35Å
53A76.1Confident78.8Confident93 Ų9366 Ų6677%0.76934%0.344SS*.Hα-helixtrans-60.2-22.2176.300000113.4E49E49-A53 WeakPolarHBondContact O-CB 3.35Å; E49-A53 PolarHBondContact O-N 3.1Å
54S68.9Low78.5Confident94 Ų9468.2 Ų68.266%0.65736%0.359SS*.THydrogen-bonded Turntrans-99.83.8179.444.70000114.2K50 L51 L52K50-S54 PolarHBondContact O-N 3.23Å; K50-S54 PolarHBondContact O-OG 3.07Å; L51-S54 WeakPolarHBondContact CA-OG 3.35Å; L51-S54 PolarHBondContact O-N 3.42Å; L51-S54 PolarHBondContact O-OG 3Å; L51-S54 VanDerWaalsContact O-OG 3.06Å; L52-S54 PolarHBondContact O-N 3.1Å; L52-S54 VanDerWaalsContact O-N 3.11Å
55S68.9Low78.1Confident40 Ų4071.8 Ų71.828%0.2838%0.384SS..  trans-136.9132.8-175550000113.9L51 L52 G58L51-S55 PolarHBondContact O-N 3.35Å; L51-S55 PolarHBondContact O-OG 2.97Å; L52-S55 PolarHBondContact O-N 3.44Å; L52-S55 VanDerWaalsContact O-N 3.09Å; L52-S55 VanDerWaalsContact O-O 3.08Å; S55-G58 WeakPolarHBondContact CB-O 3.34Å; S55-G58 PolarHBondContact OG-O 3.06Å; S55-G58 VanDerWaalsContact OG-O 3.11Å
56I62.8Low77.9Confident170 Ų17072.6 Ų72.687%0.87239%0.39SS*.SBendtrans-85.4-26.5-171.5-57.4169.7000112.5
57N65.8Low77.6Confident138 Ų13873.3 Ų73.374%0.73840%0.396SS*.SBendtrans-128.140.4-172.2-79.3-23.8000113.3
58G76.7Confident77.5Confident8 Ų872.9 Ų72.98%0.08239%0.393CS..SBendtrans97.6172.3176.700000114.8S55 T68S55-G58 WeakPolarHBondContact CB-O 3.34Å; S55-G58 PolarHBondContact OG-O 3.06Å; S55-G58 VanDerWaalsContact OG-O 3.11Å; G58-T68 CarbonylContact C-O 3.55Å; G58-T68 WeakPolarHBondContact CA-O 3.24Å
59V81.5Confident77.2Confident0 Ų082.9 Ų82.90%043%0.431CS..EExtended strand (participates in β ladder)trans-86.5124-170.4-179.10000111.2L37 L48 L51 L52 T68 I70L37-V59 HydrophobicContact CD2-CB 4.46Å; L37-V59 HydrophobicContact CD2-CG1 4.33Å; L48-V59 HydrophobicContact CD2-CG1 3.84Å; L51-V59 HydrophobicContact CB-CG1 4.08Å; L51-V59 HydrophobicContact CD1-CG1 4.3Å; L52-V59 HydrophobicContact CB-CG2 4.21Å; L52-V59 HydrophobicContact CD1-CG2 3.65Å; V59-T68 PolarHBondContact N-O 3.36Å; V59-T68 PolarHBondContact O-N 3.41Å; V59-I70 HydrophobicContact CG2-CD1 4.11Å; V59-I70 HydrophobicContact CG2-CG1 4.44Å
60R78.9Confident76.9Confident161 Ų16179.9 Ų79.961%0.60842%0.417SS*.EExtended strand (participates in β ladder)trans-84.6123.3170.5-165178.7-146.9165.74.7109.9P62 S65 I67R60-P62 WeakPolarHBondContact O-CD 3.42Å; R60-S65 WeakPolarHBondContact CG-O 3.19Å; R60-S65 PolarHBondContact NE-O 3.3Å; R60-I67 HydrophobicContact CB-CG1 4.46Å; R60-I67 HydrophobicContact CG-CG1 4.19Å
61C79.3Confident76.3Confident1 Ų179.3 Ų79.31%0.00743%0.425CS..PPolyproline II helixtrans-65.9125177.2-178.10000110.8L37 C39 F63 S65 K66L37-C61 HydrophobicContact CD1-CB 3.76Å; C39-C61 VanDerWaalsContact SG-SG 3.61Å; C61-F63 PolarHBondContact O-N 3.44Å; C61-S65 VanDerWaalsContact O-CA 3.28Å; C61-S65 WeakPolarHBondContact O-CA 3.35Å; C61-S65 PolarHBondContact O-N 3.42Å; C61-K66 WeakPolarHBondContact CB-O 3.32Å; C61-K66 PolarHBondContact N-O 2.93Å
62P77.6Confident76Confident70 Ų7079.1 Ų79.146%0.45543%0.428SS..THydrogen-bonded Turntrans-64.7-22.6178.4-23.234.6000114.5I22 L51 R60I22-P62 HydrophobicContact CD1-CG 4.02Å; L51-P62 HydrophobicContact CD1-CG 4.24Å; R60-P62 WeakPolarHBondContact O-CD 3.42Å
63F78.3Confident75.6Confident96 Ų9677.9 Ų77.942%0.42142%0.421SS..THydrogen-bonded Turntrans-95.6-25-171.6-53.6-74.4000113.8P21 I22 I43 C61P21-F63 HydrophobicContact CB-CE1 3.87Å; P21-F63 HydrophobicContact CB-CE2 4.07Å; P21-F63 HydrophobicContact CB-CZ 3.37Å; P21-F63 HydrophobicContact CG-CE1 4.22Å; P21-F63 HydrophobicContact CG-CE2 3.49Å; P21-F63 VanDerWaalsContact CG-CE2 3.49Å; P21-F63 HydrophobicContact CG-CZ 3.33Å; I22-F63 HydrophobicContact CG1-CE2 4.42Å; I22-F63 HydrophobicContact CG1-CZ 4.22Å; I43-F63 HydrophobicContact CD1-CE2 4.27Å; I43-F63 HydrophobicContact CG1-CE2 4.34Å; C61-F63 PolarHBondContact O-N 3.44Å
64C80.1Confident75.5Confident46 Ų4679.1 Ų79.131%0.31142%0.42SS..THydrogen-bonded Turntrans-137.15.8-177.969.20000114.5C39 H41 K66C39-C64 WeakPolarHBondContact CB-SG 3.48Å; H41-C64 PolarHBondContact ND1-SG 3.49Å; C64-K66 PolarHBondContact O-N 3.22Å
65S78.6Confident75.8Confident75 Ų7579.5 Ų79.552%0.52441%0.411SS..  trans59.50.3177.8-620000116.7R60 C61R60-S65 WeakPolarHBondContact CG-O 3.19Å; R60-S65 PolarHBondContact NE-O 3.3Å; C61-S65 VanDerWaalsContact O-CA 3.28Å; C61-S65 WeakPolarHBondContact O-CA 3.35Å; C61-S65 PolarHBondContact O-N 3.42Å
66K80.1Confident76.4Confident135 Ų13577.9 Ų77.959%0.58740%0.399SS*.  trans-67137.7174.8-70.9-179.1179.9177.20110.8C39 C61 C64C39-K66 HydrophobicContact CB-CB 3.98Å; C39-K66 HydrophobicContact CB-CD 3.77Å; C39-K66 HydrophobicContact CB-CG 4.44Å; C61-K66 WeakPolarHBondContact CB-O 3.32Å; C61-K66 PolarHBondContact N-O 2.93Å; C64-K66 PolarHBondContact O-N 3.22Å
67I80.5Confident77.3Confident95 Ų9574.3 Ų74.349%0.48739%0.385SS..EExtended strand (participates in β ladder)trans-95.3123.3-177.9-58.9171.4000109.3R60 R69R60-I67 HydrophobicContact CB-CG1 4.46Å; R60-I67 HydrophobicContact CG-CG1 4.19Å; I67-R69 HydrophobicContact CG2-CG 4.21Å
68T81.4Confident78.3Confident1 Ų169.3 Ų69.31%0.00636%0.359CS..EExtended strand (participates in β ladder)trans-97101.9171.9-62.60000108L37 H38 G58 V59 I70 L76L37-T68 HydrophobicContact CD2-CG2 4.1Å; H38-T68 HydrophobicContact CB-CG2 4.25Å; H38-T68 PolarHBondContact N-OG1 3Å; G58-T68 CarbonylContact C-O 3.55Å; G58-T68 WeakPolarHBondContact CA-O 3.24Å; V59-T68 PolarHBondContact N-O 3.36Å; V59-T68 PolarHBondContact O-N 3.41Å; T68-I70 HydrophobicContact CG2-CG2 3.98Å; T68-I70 PolarHBondContact O-N 3.34Å; T68-L76 HydrophobicContact CG2-CD2 3.65Å
69R78.5Confident78.5Confident210 Ų21070 Ų7079%0.79236%0.361SS*.  trans-76.3106.8-178.5-65.7-177.1-176.9173.50.8109.7I67I67-R69 HydrophobicContact CG2-CG 4.21Å
70I77.4Confident78.4Confident12 Ų1275 Ų756%0.06239%0.387CS..  trans-141.7148.4178.456.6175.7000108.9L52 V59 T68 L73 Q75 L76L52-I70 HydrophobicContact CD1-CD1 4.27Å; L52-I70 HydrophobicContact CD1-CG1 4.07Å; V59-I70 HydrophobicContact CG2-CD1 4.11Å; V59-I70 HydrophobicContact CG2-CG1 4.44Å; T68-I70 HydrophobicContact CG2-CG2 3.98Å; T68-I70 PolarHBondContact O-N 3.34Å; I70-L73 HydrophobicContact CD1-CD2 4.09Å; I70-Q75 HydrophobicContact CG2-CB 4.17Å; I70-L76 HydrophobicContact CD1-CD1 3.53Å; I70-L76 HydrophobicContact CD1-CD2 4.09Å; I70-L76 HydrophobicContact CD1-CG 3.65Å; I70-L76 HydrophobicContact CG2-CD2 3.93Å; I70-L76 HydrophobicContact CG2-CG 4.34Å
71T69.4Low78.3Confident125 Ų12571.9 Ų71.977%0.76739%0.386SS*.SBendtrans-103.1-19.4173.747.90000112.5Q75T71-Q75 VanDerWaalsContact N-OE1 3.09Å; T71-Q75 PolarHBondContact OG1-NE2 3.27Å
72S74.6Confident78.2Confident45 Ų4572 Ų7232%0.31539%0.386SS..SBendtrans-142.8145.2174.9174.80000110.6T74 Q75S72-T74 PolarHBondContact O-N 3.06Å; S72-T74 PolarHBondContact OG-N 3.23Å; S72-T74 PolarHBondContact OG-OG1 3.3Å; S72-Q75 WeakPolarHBondContact O-CB 3.49Å; S72-Q75 PolarHBondContact O-N 3.18Å; S72-Q75 VanDerWaalsContact O-N 3.09Å
73L72.9Confident78.1Confident20 Ų2069.1 Ų69.111%0.10537%0.367CS..G310 helixtrans-66.7-15.2177-65.1173.4000113.6L48 E49 L52 I70 Q75 L76L48-L73 HydrophobicContact CB-CD2 3.83Å; E49-L73 HydrophobicContact CB-CD1 4.13Å; E49-L73 HydrophobicContact CG-CD1 3.16Å; L52-L73 HydrophobicContact CD2-CG 4.35Å; I70-L73 HydrophobicContact CD1-CD2 4.09Å; L73-Q75 PolarHBondContact O-N 2.75Å; L73-L76 HydrophobicContact CD2-CD1 4.32Å; L73-L76 PolarHBondContact O-N 2.88Å
74T73.8Confident77.9Confident120 Ų12071.5 Ų71.574%0.73638%0.377SS*.G310 helixtrans-67.5-18.2172.255.50000112.7S72 L76S72-T74 PolarHBondContact O-N 3.06Å; S72-T74 PolarHBondContact OG-N 3.23Å; S72-T74 PolarHBondContact OG-OG1 3.3Å; T74-L76 VanDerWaalsContact C-N 3.29Å
75Q75.6Confident77.5Confident101 Ų10171.4 Ų71.447%0.47237%0.373SS..G310 helixtrans-77.5-14.3176.3-63.9168.30.300112.7I70 T71 S72 L73I70-Q75 HydrophobicContact CG2-CB 4.17Å; T71-Q75 VanDerWaalsContact N-OE1 3.09Å; T71-Q75 PolarHBondContact OG1-NE2 3.27Å; S72-Q75 WeakPolarHBondContact O-CB 3.49Å; S72-Q75 PolarHBondContact O-N 3.18Å; S72-Q75 VanDerWaalsContact O-N 3.09Å; L73-Q75 PolarHBondContact O-N 2.75Å
76L80.9Confident77.1Confident6 Ų670.3 Ų70.33%0.03136%0.361CS..SBendtrans-91.3130.4177.4-66-179.7000111.6K35 L37 L48 T68 I70 L73 T74K35-L76 HydrophobicContact CD-CB 4.21Å; K35-L76 PolarHBondContact NZ-O 3.07Å; L37-L76 HydrophobicContact CD2-CD1 3.99Å; L48-L76 HydrophobicContact CD1-CD1 4.02Å; T68-L76 HydrophobicContact CG2-CD2 3.65Å; I70-L76 HydrophobicContact CD1-CD1 3.53Å; I70-L76 HydrophobicContact CD1-CD2 4.09Å; I70-L76 HydrophobicContact CD1-CG 3.65Å; I70-L76 HydrophobicContact CG2-CD2 3.93Å; I70-L76 HydrophobicContact CG2-CG 4.34Å; L73-L76 HydrophobicContact CD2-CD1 4.32Å; L73-L76 PolarHBondContact O-N 2.88Å; T74-L76 VanDerWaalsContact C-N 3.29Å
77T82.5Confident76.4Confident95 Ų9568.8 Ų68.858%0.58336%0.359SS*.PPolyproline II helixtrans-69139.3174.852.50000111.3L36L36-T77 PolarHBondContact N-O 2.8Å
78D84.9Confident75.8Confident34 Ų3467.8 Ų67.818%0.18236%0.358CS..BIsolated β-bridgetrans-68.3146.5170.4-65.8-22.7000110.6R33 P34 K35 L80 L83R33-D78 IonicContact CZ-OD2 2.92Å; R33-D78 VanDerWaalsContact CZ-OD2 3.31Å; R33-D78 IonicContact NE-OD1 2.85Å; R33-D78 IonicContact NE-OD2 3.25Å; R33-D78 PolarHBondContact NE-OD2 2.75Å; R33-D78 IonicContact NH2-OD2 3.12Å; R33-D78 PolarHBondContact NH2-OD2 2.88Å; P34-D78 WeakPolarHBondContact O-CA 3.47Å; K35-D78 VanDerWaalsContact CD-OD1 3.25Å; K35-D78 WeakPolarHBondContact CD-OD1 3.36Å; K35-D78 WeakPolarHBondContact CE-OD1 3.49Å; K35-D78 IonicContact NZ-OD1 2.72Å; K35-D78 PolarHBondContact NZ-OD1 3.23Å; D78-L80 VanDerWaalsContact C-N 3.28Å; D78-L80 HydrophobicContact CB-CD2 4.01Å; D78-L80 PolarHBondContact O-N 3.19Å; D78-L83 HydrophobicContact CB-CD1 3.99Å
79N82.3Confident74.4Confident23 Ų2371.9 Ų71.912%0.12339%0.392CS..  trans-77.284167.8-163.8-28.1000109.7P34 L36 T42 T81 V82 L83P34-N79 HydrophobicContact CB-CB 4.12Å; P34-N79 HydrophobicContact CG-CB 4.37Å; P34-N79 PolarHBondContact O-N 3.19Å; L36-N79 HydrophobicContact CD1-CB 3.96Å; L36-N79 HydrophobicContact CD2-CB 4.39Å; L36-N79 HydrophobicContact CG-CB 3.83Å; T42-N79 HydrophobicContact CG2-CB 3.97Å; T42-N79 PolarHBondContact OG1-ND2 3.21Å; N79-T81 PolarHBondContact O-N 3.33Å; N79-T81 WeakPolarHBondContact OD1-CB 3.49Å; N79-T81 PolarHBondContact OD1-N 3.37Å; N79-V82 HydrophobicContact CB-CB 4.24Å; N79-V82 HydrophobicContact CB-CG2 4.17Å; N79-V82 PolarHBondContact O-N 3.11Å; N79-V82 VanDerWaalsContact O-N 3.12Å; N79-V82 PolarHBondContact OD1-N 3.06Å; N79-L83 PolarHBondContact O-N 3.42Å; N79-L83 VanDerWaalsContact O-N 3.13Å
80L79.9Confident73.2Confident104 Ų10464.9 Ų64.955%0.54539%0.385SS..Hα-helixtrans-61-24.1-178.5-59.4-179000112.9D78 L83 K84D78-L80 VanDerWaalsContact C-N 3.28Å; D78-L80 HydrophobicContact CB-CD2 4.01Å; D78-L80 PolarHBondContact O-N 3.19Å; L80-L83 HydrophobicContact CD2-CD1 4.28Å; L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 VanDerWaalsContact O-CG 3.24Å; L80-K84 WeakPolarHBondContact O-CG 3.41Å; L80-K84 PolarHBondContact O-N 2.9Å
81T76.8Confident72.1Confident96 Ų9666.6 Ų66.659%0.58939%0.394SS*.Hα-helixtrans-67.4-45.2175.7-50.50000110.8N79 K84 I85N79-T81 PolarHBondContact O-N 3.33Å; N79-T81 WeakPolarHBondContact OD1-CB 3.49Å; N79-T81 PolarHBondContact OD1-N 3.37Å; T81-K84 PolarHBondContact O-N 3.4Å; T81-I85 HydrophobicContact CG2-CD1 4.25Å; T81-I85 WeakPolarHBondContact O-CD1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.94Å; T81-I85 VanDerWaalsContact O-N 3.14Å
82V76.1Confident71.3Confident4 Ų464.6 Ų64.62%0.02439%0.385CS..Hα-helixtrans-65.9-41.8176.4174.50000110.6V17 L18 F27 P34 N79 I85 I86V17-V82 HydrophobicContact CG1-CG2 4.31Å; L18-V82 HydrophobicContact CD2-CG1 4.16Å; F27-V82 HydrophobicContact CB-CG1 4.26Å; F27-V82 HydrophobicContact CD2-CG1 3.65Å; F27-V82 HydrophobicContact CE2-CG1 4.34Å; F27-V82 HydrophobicContact CG-CG1 4.24Å; P34-V82 HydrophobicContact CB-CB 4.4Å; P34-V82 HydrophobicContact CB-CG1 4.17Å; P34-V82 HydrophobicContact CG-CB 4.06Å; P34-V82 HydrophobicContact CG-CG1 3.84Å; N79-V82 HydrophobicContact CB-CB 4.24Å; N79-V82 HydrophobicContact CB-CG2 4.17Å; N79-V82 PolarHBondContact O-N 3.11Å; N79-V82 VanDerWaalsContact O-N 3.12Å; N79-V82 PolarHBondContact OD1-N 3.06Å; V82-I85 PolarHBondContact O-N 2.83Å; V82-I86 HydrophobicContact CG1-CD1 4.02Å; V82-I86 WeakPolarHBondContact O-CD1 3.39Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 2.81Å; V82-I86 VanDerWaalsContact O-N 3.12Å
83L75.3Confident70.4Confident9 Ų970.2 Ų70.25%0.04741%0.406CS..Hα-helixtrans-63.7-43176.8-71171.6000112.7R33 P34 D78 N79 L80 I85 I86 D87R33-L83 HydrophobicContact CG-CD1 4.45Å; P34-L83 HydrophobicContact CG-CD2 4.03Å; P34-L83 HydrophobicContact CG-CG 3.89Å; D78-L83 HydrophobicContact CB-CD1 3.99Å; N79-L83 PolarHBondContact O-N 3.42Å; N79-L83 VanDerWaalsContact O-N 3.13Å; L80-L83 HydrophobicContact CD2-CD1 4.28Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 PolarHBondContact O-N 3.45Å; L83-I86 WeakPolarHBondContact O-CB 3.45Å; L83-I86 PolarHBondContact O-N 3.06Å; L83-I86 VanDerWaalsContact O-N 3.12Å; L83-D87 PolarHBondContact O-N 3.48Å
84K74.3Confident69.5Low146 Ų14671.3 Ų71.364%0.63542%0.418SS*.Hα-helixtrans-62.8-33.7175.2-77177.7179.5-174.40113L80 T81 I86 T88L80-K84 WeakPolarHBondContact O-CB 3.33Å; L80-K84 VanDerWaalsContact O-CG 3.24Å; L80-K84 WeakPolarHBondContact O-CG 3.41Å; L80-K84 PolarHBondContact O-N 2.9Å; T81-K84 PolarHBondContact O-N 3.4Å; K84-I86 VanDerWaalsContact C-N 3.33Å; K84-T88 PolarHBondContact O-N 2.83Å; K84-T88 PolarHBondContact O-OG1 3.43Å
85I72.2Confident68.8Low44 Ų4467.3 Ų67.323%0.22639%0.393CS..Hα-helixtrans-68.5-35.9175.9-66.3162.7000110.5L14 L18 T81 V82 L83L14-I85 HydrophobicContact CD2-CG2 4.46Å; L18-I85 HydrophobicContact CD1-CG2 4.42Å; L18-I85 HydrophobicContact CD2-CB 4.38Å; L18-I85 HydrophobicContact CD2-CG2 3.9Å; T81-I85 HydrophobicContact CG2-CD1 4.25Å; T81-I85 WeakPolarHBondContact O-CD1 3.29Å; T81-I85 WeakPolarHBondContact O-CG1 3.47Å; T81-I85 PolarHBondContact O-N 2.94Å; T81-I85 VanDerWaalsContact O-N 3.14Å; V82-I85 PolarHBondContact O-N 2.83Å; L83-I85 VanDerWaalsContact C-N 3.28Å; L83-I85 PolarHBondContact O-N 3.45Å
86I68.9Low68.1Low52 Ų5264.7 Ų64.727%0.26739%0.394SS..Hα-helixtrans-69.4-41.7175.4-64.6161.7000111.2L18 F27 V82 L83 K84 T88L18-I86 HydrophobicContact CD2-CG1 4.06Å; F27-I86 HydrophobicContact CB-CD1 3.91Å; F27-I86 WeakPolarHBondContact O-CD1 3.47Å; V82-I86 HydrophobicContact CG1-CD1 4.02Å; V82-I86 WeakPolarHBondContact O-CD1 3.39Å; V82-I86 WeakPolarHBondContact O-CG1 3.5Å; V82-I86 PolarHBondContact O-N 2.81Å; V82-I86 VanDerWaalsContact O-N 3.12Å; L83-I86 WeakPolarHBondContact O-CB 3.45Å; L83-I86 PolarHBondContact O-N 3.06Å; L83-I86 VanDerWaalsContact O-N 3.12Å; K84-I86 VanDerWaalsContact C-N 3.33Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 2.93Å
87D66.7Low67.1Low103 Ų10370.4 Ų70.455%0.55142%0.424SS*.Hα-helixtrans-71.5-14.7-178-96.2-11.5000115.1L83 A89L83-D87 PolarHBondContact O-N 3.48Å; D87-A89 PolarHBondContact O-N 3.47Å
88T67Low66.3Low74 Ų7469.1 Ų69.145%0.45441%0.413SS..  trans-73.2101.2-178.2-49.40000109.1K84 I86 G90 L91K84-T88 PolarHBondContact O-N 2.83Å; K84-T88 PolarHBondContact O-OG1 3.43Å; I86-T88 VanDerWaalsContact C-N 3.28Å; I86-T88 PolarHBondContact O-N 2.93Å; T88-G90 PolarHBondContact O-N 2.96Å; T88-L91 HydrophobicContact CG2-CD1 4.33Å; T88-L91 PolarHBondContact O-N 2.87Å
89A51.6Low65.7Low87 Ų8768.4 Ų68.472%0.71941%0.409SS*.Hα-helixtrans-52-25.4-17100000116D87D87-A89 PolarHBondContact O-N 3.47Å
90G53.3Low65.4Low63 Ų6367.3 Ų67.365%0.64940%0.403SS*.Hα-helixtrans-76.5-17.3174.800000115.2T88T88-G90 PolarHBondContact O-N 2.96Å
91L54.5Low65.1Low48 Ų4870.7 Ų70.725%0.25141%0.408SS..Hα-helixtrans-89.8-26.8175.4-86.1144.5000112T88 E93 A94 V95T88-L91 HydrophobicContact CG2-CD1 4.33Å; T88-L91 PolarHBondContact O-N 2.87Å; L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 3Å; L91-A94 PolarHBondContact O-N 2.88Å; L91-V95 HydrophobicContact CB-CG2 4.37Å; L91-V95 HydrophobicContact CD2-CG2 4.32Å; L91-V95 WeakPolarHBondContact O-CA 3.31Å; L91-V95 WeakPolarHBondContact O-CB 3.47Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 3.4Å
92S54.4Low65Low83 Ų8369.1 Ų69.158%0.5840%0.401SS*.Hα-helixtrans-60.8-39.4-179.2-175.40000113.2G96S92-G96 PolarHBondContact O-N 3.4Å
93E54.4Low64.8Low162 Ų16270.9 Ų70.976%0.75741%0.413SS*.Hα-helixtrans-76.6-39.3179.7-157.4172.6-164.800111.8L91 G96 L97L91-E93 VanDerWaalsContact C-N 3.34Å; L91-E93 PolarHBondContact O-N 3Å; E93-G96 PolarHBondContact O-N 3.47Å; E93-L97 PolarHBondContact O-N 3.09Å
94A54.8Low64.5Low43 Ų4372.9 Ų72.936%0.35544%0.436SS..Hα-helixtrans-69.1-37.1174.400000112.7L91 L97 L98L91-A94 PolarHBondContact O-N 2.88Å; A94-L97 PolarHBondContact O-N 3.2Å; A94-L98 WeakPolarHBondContact O-CG 3.36Å
95V58.4Low64.2Low36 Ų3674.5 Ų74.522%0.21844%0.438CS..Hα-helixtrans-69.7-37.7175.9171.30000110.3L91 L97 L98 M99L91-V95 HydrophobicContact CB-CG2 4.37Å; L91-V95 HydrophobicContact CD2-CG2 4.32Å; L91-V95 WeakPolarHBondContact O-CA 3.31Å; L91-V95 WeakPolarHBondContact O-CB 3.47Å; L91-V95 WeakPolarHBondContact O-CG2 3.44Å; L91-V95 PolarHBondContact O-N 3.4Å; V95-L97 PolarHBondContact O-N 3.33Å; V95-L98 WeakPolarHBondContact O-CB 3.46Å; V95-L98 PolarHBondContact O-N 3.15Å; V95-M99 HydrophobicContact CG1-CE 3.51Å; V95-M99 WeakPolarHBondContact O-CG 3.46Å; V95-M99 PolarHBondContact O-N 2.8Å
96G60.3Low64.1Low47 Ų4776.5 Ų76.549%0.48544%0.443SS..Hα-helixtrans-58.1-33.5172.700000113.9S92 E93 L98 M99S92-G96 PolarHBondContact O-N 3.4Å; E93-G96 PolarHBondContact O-N 3.47Å; G96-L98 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 2.88Å; G96-M99 PolarHBondContact O-N 2.88Å
97L61.1Low64.2Low126 Ų12674.9 Ų74.966%0.6644%0.435SS*.THydrogen-bonded Turntrans-73.2-19.2174.6-66.7171.9000113.8E93 A94 V95E93-L97 PolarHBondContact O-N 3.09Å; A94-L97 PolarHBondContact O-N 3.2Å; V95-L97 PolarHBondContact O-N 3.33Å
98L64.6Low64.7Low68 Ų6871.1 Ų71.136%0.35642%0.416SS..THydrogen-bonded Turntrans-93.1-6.4179.2-60.8166.5000112.6L11 A94 V95 G96 P108L11-L98 HydrophobicContact CD2-CD1 3.83Å; A94-L98 WeakPolarHBondContact O-CG 3.36Å; V95-L98 WeakPolarHBondContact O-CB 3.46Å; V95-L98 PolarHBondContact O-N 3.15Å; G96-L98 VanDerWaalsContact C-N 3.29Å; G96-L98 PolarHBondContact O-N 2.88Å; L98-P108 WeakPolarHBondContact O-CD 3.29Å
99M72.3Confident65.4Low19 Ų1975.1 Ų75.19%0.09442%0.423CS..SBendtrans-93.1160.1179.3-63.4-59.8157.800111.6V95 G96 R101 L107V95-M99 HydrophobicContact CG1-CE 3.51Å; V95-M99 WeakPolarHBondContact O-CG 3.46Å; V95-M99 PolarHBondContact O-N 2.8Å; G96-M99 PolarHBondContact O-N 2.88Å; M99-R101 PolarHBondContact O-N 2.83Å; M99-L107 HydrophobicContact CE-CD2 3.77Å; M99-L107 HydrophobicContact SD-CD2 3.67Å; M99-L107 HydrophobicContact SD-CG 4.21Å
100C75.7Confident66.9Low0 Ų072.1 Ų72.10%039%0.394CS..  trans-53.5122.1171.11730000109S102 C103 G104 R106 C120C100-S102 PolarHBondContact O-N 2.81Å; C100-S102 VanDerWaalsContact O-N 3.15Å; C100-S102 PolarHBondContact SG-N 2.77Å; C100-C103 PolarHBondContact O-N 2.89Å; C100-C103 VanDerWaalsContact SG-SG 3.68Å; C100-G104 VanDerWaalsContact O-CA 3.3Å; C100-G104 WeakPolarHBondContact O-CA 3.27Å; C100-G104 PolarHBondContact O-N 3.31Å; C100-R106 WeakPolarHBondContact CA-O 3.45Å; C100-R106 WeakPolarHBondContact CB-O 3.5Å; C100-R106 PolarHBondContact N-O 3.03Å; C100-C120 HydrophobicContact CB-CB 3.91Å; C100-C120 PolarHBondContact SG-N 3.25Å
101R73.5Confident68.4Low175 Ų17570 Ų7066%0.6637%0.367SS*.THydrogen-bonded Turntrans-65.4-18.6-178.3-86.9-166.2173.7-145.82.1114.1M99 L117 V118M99-R101 PolarHBondContact O-N 2.83Å; R101-L117 HydrophobicContact CB-CD2 4.29Å; R101-V118 PolarHBondContact N-O 3.01Å
102S75.4Confident69.8Low63 Ų6367.7 Ų67.744%0.44136%0.355SS..THydrogen-bonded Turntrans-84-47.5179.9168.10000112.3C100C100-S102 PolarHBondContact O-N 2.81Å; C100-S102 VanDerWaalsContact O-N 3.15Å; C100-S102 PolarHBondContact SG-N 2.77Å
103C73.1Confident71Confident41 Ų4169.4 Ų69.428%0.27735%0.348SS..THydrogen-bonded Turntrans-104.6-15.2-177.265.10000115C100 R105C100-C103 PolarHBondContact O-N 2.89Å; C100-C103 VanDerWaalsContact SG-SG 3.68Å; C103-R105 VanDerWaalsContact O-CG 3.28Å; C103-R105 WeakPolarHBondContact O-CG 3.49Å; C103-R105 PolarHBondContact O-N 3.32Å
104G68.8Low72.2Confident51 Ų5165.2 Ų65.253%0.52634%0.337SS..SBendtrans64.30.8-179.900000115.7C100C100-G104 VanDerWaalsContact O-CA 3.3Å; C100-G104 WeakPolarHBondContact O-CA 3.27Å; C100-G104 PolarHBondContact O-N 3.31Å
105R67.1Low73.4Confident179 Ų17965.5 Ų65.568%0.67534%0.336SS*.SBendtrans-118.3-18.3-166.6-69.7170.8-168.3-159.73114.7C103C103-R105 VanDerWaalsContact O-CG 3.28Å; C103-R105 WeakPolarHBondContact O-CG 3.49Å; C103-R105 PolarHBondContact O-N 3.32Å
106R70.9Confident74.3Confident87 Ų8766 Ų6633%0.32835%0.348SS..SBendtrans-129.2149-174.2-65.4179.5-176.9159.41.8109.7E25 C100 C120 P122E25-R106 IonicContact OE1-CZ 3.42Å; E25-R106 IonicContact OE1-NE 3.53Å; E25-R106 IonicContact OE1-NH2 2.68Å; E25-R106 PolarHBondContact OE1-NH2 3.47Å; C100-R106 WeakPolarHBondContact CA-O 3.45Å; C100-R106 WeakPolarHBondContact CB-O 3.5Å; C100-R106 PolarHBondContact N-O 3.03Å; R106-C120 HydrophobicContact CB-CB 3.7Å; R106-P122 VanDerWaalsContact NH1-CG 3.35Å
107L70.9Confident75.3Confident17 Ų1766.3 Ų66.39%0.08934%0.338CS..  trans-70.1143.6179.2-63157.6000112.2R15 E19 M99 C120R15-L107 HydrophobicContact CB-CD1 4.5Å; R15-L107 HydrophobicContact CG-CD1 3.03Å; R15-L107 HydrophobicContact CG-CD2 3.51Å; R15-L107 HydrophobicContact CG-CG 3.8Å; E19-L107 HydrophobicContact CG-CD1 4.47Å; E19-L107 WeakPolarHBondContact OE1-CD1 3.44Å; E19-L107 VanDerWaalsContact OE1-CG 3.29Å; E19-L107 WeakPolarHBondContact OE1-CG 3.46Å; M99-L107 HydrophobicContact CE-CD2 3.77Å; M99-L107 HydrophobicContact SD-CD2 3.67Å; M99-L107 HydrophobicContact SD-CG 4.21Å; L107-C120 VanDerWaalsContact O-CB 3.27Å; L107-C120 WeakPolarHBondContact O-CB 3.36Å
108P77.4Confident76.3Confident24 Ų2462.1 Ų62.116%0.15632%0.318CS..  trans-77.7128.7177.131-30.7000110.7L98 V118 L119L98-P108 WeakPolarHBondContact O-CD 3.29Å; P108-V118 HydrophobicContact CB-CB 3.61Å; P108-V118 HydrophobicContact CB-CG2 4Å; P108-V118 HydrophobicContact CG-CB 3.96Å; P108-V118 HydrophobicContact CG-CG2 3.94Å; P108-L119 CarbonylContact C-O 3.57Å; P108-L119 WeakPolarHBondContact CA-O 3.37Å
109R80.3Confident77.2Confident159 Ų15958.9 Ų58.960%0.630%0.301SS*.  trans-110.1-18.9173.1-67.8-176.2174.7-102.7-2.4112L119 V138R109-L119 PolarHBondContact N-O 3.46Å; R109-V138 PolarHBondContact O-N 3.42Å
110Q83.1Confident77.7Confident23 Ų2358.1 Ų58.111%0.10730%0.298CS..EExtended strand (participates in β ladder)trans-122.6144.3-173.5-57.9-66.2-17.700110.1V118 L119 L136Q110-V118 CarbonylContact O-C 3.56Å; Q110-V118 WeakPolarHBondContact O-CA 3.42Å; Q110-L119 PolarHBondContact N-O 3.12Å; Q110-L119 PolarHBondContact O-N 3.23Å; Q110-L136 CarbonylContact C-O 3.52Å; Q110-L136 PolarHBondContact OE1-O 3.29Å
111F84.6Confident77.9Confident19 Ų1962 Ų628%0.08332%0.316CS..EExtended strand (participates in β ladder)trans-116.8122.7174.7174.1-105.4000108.8R113 L117 V118 T135 L136 V138 A141 R145F111-R113 HydrophobicContact CD1-CG 4.22Å; F111-R113 HydrophobicContact CE1-CB 4.48Å; F111-R113 HydrophobicContact CE1-CG 3.89Å; F111-L117 WeakPolarHBondContact CD2-O 3.47Å; F111-V118 HydrophobicContact CD2-CG1 3.89Å; F111-T135 CarbonylContact O-C 2.81Å; F111-T135 VanDerWaalsContact O-CA 3.31Å; F111-T135 WeakPolarHBondContact O-CA 3.45Å; F111-L136 PolarHBondContact N-O 3.41Å; F111-L136 PolarHBondContact O-N 2.95Å; F111-V138 HydrophobicContact CB-CG2 4.15Å; F111-A141 HydrophobicContact CB-CB 4.09Å; F111-A141 HydrophobicContact CD1-CB 3.61Å; F111-A141 HydrophobicContact CE1-CB 4.42Å; F111-A141 HydrophobicContact CG-CB 4.08Å; F111-R145 VanDerWaalsContact CZ-NH2 3.27Å
112C84.8Confident78.2Confident0 Ų056.4 Ų56.40%030%0.302CS..EExtended strand (participates in β ladder)trans-89116.1174.4-176.90000110C115 G116 L117 L119 C134 T135C112-C115 HydrophobicContact CB-CB 4.23Å; C112-C115 PolarHBondContact SG-N 3.47Å; C112-C115 VanDerWaalsContact SG-N 3.44Å; C112-C115 VanDerWaalsContact SG-SG 3.65Å; C112-G116 WeakPolarHBondContact O-CA 3.48Å; C112-G116 PolarHBondContact O-N 2.84Å; C112-L117 PolarHBondContact N-O 3.44Å; C112-L117 PolarHBondContact O-N 3.3Å; C112-L119 HydrophobicContact CB-CD1 4.02Å; C112-C134 CarbonylContact C-O 3.02Å; C112-C134 WeakPolarHBondContact CA-O 3.49Å; C112-T135 HydrophobicContact CB-CG2 4.11Å
113R79.3Confident78.5Confident119 Ų11954.1 Ų54.145%0.44929%0.286SS..THydrogen-bonded Turntrans-66-37.8175.2-75.7-173.9174.4179.76112.2F111 C134 L136 E144F111-R113 HydrophobicContact CD1-CG 4.22Å; F111-R113 HydrophobicContact CE1-CB 4.48Å; F111-R113 HydrophobicContact CE1-CG 3.89Å; R113-C134 HydrophobicContact CB-CB 4.45Å; R113-C134 PolarHBondContact N-O 3.18Å; R113-L136 HydrophobicContact CG-CD1 4.32Å; R113-L136 VanDerWaalsContact NH2-CD1 3.34Å; R113-E144 IonicContact CZ-OE1 3.88Å; R113-E144 IonicContact CZ-OE2 3.51Å; R113-E144 IonicContact NE-OE2 3.93Å; R113-E144 IonicContact NH2-OE1 2.97Å; R113-E144 PolarHBondContact NH2-OE1 3.3Å; R113-E144 IonicContact NH2-OE2 2.59Å; R113-E144 PolarHBondContact NH2-OE2 3.33Å
114S80.8Confident78.9Confident74 Ų7455.4 Ų55.452%0.51729%0.285SS..THydrogen-bonded Turntrans-66-39.3-178.1-500000112.2C134S114-C134 PolarHBondContact OG-N 3.5Å
115C79.9Confident79.4Confident49 Ų4958.1 Ų58.133%0.33128%0.284SS..THydrogen-bonded Turntrans-99.8-15.6-177-54.10000113.7C112 L117 H133C112-C115 HydrophobicContact CB-CB 4.23Å; C112-C115 PolarHBondContact SG-N 3.47Å; C112-C115 VanDerWaalsContact SG-N 3.44Å; C112-C115 VanDerWaalsContact SG-SG 3.65Å; C115-L117 VanDerWaalsContact C-N 3.26Å; C115-L117 HydrophobicContact CB-CB 4.44Å; C115-L117 HydrophobicContact CB-CD1 4.11Å; C115-L117 HydrophobicContact CB-CG 4.14Å; C115-L117 PolarHBondContact O-N 3.46Å; C115-H133 PolarHBondContact SG-CE1 2.78Å
116G77.1Confident80Confident46 Ų4653 Ų5347%0.47428%0.28SS..THydrogen-bonded Turntrans70.218.9-175.200000114.4C112C112-G116 WeakPolarHBondContact O-CA 3.48Å; C112-G116 PolarHBondContact O-N 2.84Å
117L81.2Confident80.2Confident53 Ų5354.1 Ų54.128%0.27729%0.292SS..EExtended strand (participates in β ladder)trans-109.6148.2-173.3-61.7173.8000112.3R101 F111 C112 C115 L119R101-L117 HydrophobicContact CB-CD2 4.29Å; F111-L117 WeakPolarHBondContact CD2-O 3.47Å; C112-L117 PolarHBondContact N-O 3.44Å; C112-L117 PolarHBondContact O-N 3.3Å; C115-L117 VanDerWaalsContact C-N 3.26Å; C115-L117 HydrophobicContact CB-CB 4.44Å; C115-L117 HydrophobicContact CB-CD1 4.11Å; C115-L117 HydrophobicContact CB-CG 4.14Å; C115-L117 PolarHBondContact O-N 3.46Å; L117-L119 HydrophobicContact CB-CD2 4.26Å; L117-L119 HydrophobicContact CB-CG 4.42Å
118V82Confident80.4Confident39 Ų3954.4 Ų54.424%0.23629%0.293CS..EExtended strand (participates in β ladder)trans-95.4128.2169.9-66.80000109.6R101 P108 Q110 F111 V138R101-V118 PolarHBondContact N-O 3.01Å; P108-V118 HydrophobicContact CB-CB 3.61Å; P108-V118 HydrophobicContact CB-CG2 4Å; P108-V118 HydrophobicContact CG-CB 3.96Å; P108-V118 HydrophobicContact CG-CG2 3.94Å; Q110-V118 CarbonylContact O-C 3.56Å; Q110-V118 WeakPolarHBondContact O-CA 3.42Å; F111-V118 HydrophobicContact CD2-CG1 3.89Å; V118-V138 HydrophobicContact CG1-CG2 4.43Å
119L83.5Confident80.3Confident0 Ų059.3 Ų59.30%031%0.314CS..EExtended strand (participates in β ladder)trans-133.6147.6-165.9-58.5170.4000111.9P108 R109 Q110 C112 L117 H128P108-L119 CarbonylContact C-O 3.57Å; P108-L119 WeakPolarHBondContact CA-O 3.37Å; R109-L119 PolarHBondContact N-O 3.46Å; Q110-L119 PolarHBondContact N-O 3.12Å; Q110-L119 PolarHBondContact O-N 3.23Å; C112-L119 HydrophobicContact CB-CD1 4.02Å; L117-L119 HydrophobicContact CB-CD2 4.26Å; L117-L119 HydrophobicContact CB-CG 4.42Å; L119-H128 HydrophobicContact CD1-CB 4Å; L119-H128 VanDerWaalsContact CD1-CD2 3.49Å; L119-H128 WeakPolarHBondContact CD1-CD2 3.17Å
120C82.4Confident79.7Confident3 Ų355.8 Ų55.82%0.0231%0.311CS..  trans-79161.316868.40000110.7C100 R106 L107 C123 R124C100-C120 HydrophobicContact CB-CB 3.91Å; C100-C120 PolarHBondContact SG-N 3.25Å; R106-C120 HydrophobicContact CB-CB 3.7Å; L107-C120 VanDerWaalsContact O-CB 3.27Å; L107-C120 WeakPolarHBondContact O-CB 3.36Å; C120-C123 PolarHBondContact O-N 2.86Å; C120-C123 PolarHBondContact SG-SG 2.86Å; C120-R124 PolarHBondContact O-N 3.2Å
121E79.1Confident78.6Confident82 Ų8261.4 Ų61.438%0.38335%0.35SS..Hα-helixtrans-59.1-41.2-175.7-168.5144.1-13100113.7C123 R124 E125E121-C123 PolarHBondContact O-N 2.83Å; E121-R124 WeakPolarHBondContact O-CB 3.41Å; E121-R124 PolarHBondContact O-N 3.41Å; E121-R124 IonicContact OE1-NH1 3.48Å; E121-R124 PolarHBondContact OE1-NH1 3.47Å; E121-E125 WeakPolarHBondContact O-CG 3.28Å; E121-E125 PolarHBondContact O-N 2.98Å
122P80.5Confident78Confident56 Ų5663.3 Ų63.336%0.36438%0.375SS..Hα-helixtrans-67-34.8175.4-26.639.8000114.2R106 R124 E125 A126R106-P122 VanDerWaalsContact NH1-CG 3.35Å; P122-R124 VanDerWaalsContact C-N 3.32Å; P122-E125 PolarHBondContact O-N 3Å; P122-A126 WeakPolarHBondContact O-CB 3.44Å; P122-A126 PolarHBondContact O-N 2.87Å
123C80.6Confident77.7Confident15 Ų1566.1 Ų66.110%0.10139%0.388CS..Hα-helixtrans-72-28.4175.1-71.70000112.2C120 E121 D127C120-C123 PolarHBondContact O-N 2.86Å; C120-C123 PolarHBondContact SG-SG 2.86Å; E121-C123 PolarHBondContact O-N 2.83Å; C123-D127 PolarHBondContact O-N 3.15Å
124R82.2Confident77.8Confident68 Ų6863.4 Ų63.426%0.25739%0.386SS..Hα-helixtrans-63.9-48.4169.6167.6-171.6148.4-142-12.2110.3C120 E121 P122 H128 Q129 T135C120-R124 PolarHBondContact O-N 3.2Å; E121-R124 WeakPolarHBondContact O-CB 3.41Å; E121-R124 PolarHBondContact O-N 3.41Å; E121-R124 IonicContact OE1-NH1 3.48Å; E121-R124 PolarHBondContact OE1-NH1 3.47Å; P122-R124 VanDerWaalsContact C-N 3.32Å; R124-H128 CarbonylContact O-C 3.56Å; R124-H128 WeakPolarHBondContact O-CA 3.27Å; R124-H128 PolarHBondContact O-N 3.43Å; R124-Q129 PolarHBondContact O-N 3.37Å; R124-T135 HydrophobicContact CG-CG2 4.29Å
125E80Confident77.9Confident109 Ų10961 Ų6151%0.50937%0.369SS..Hα-helixtrans-68.5-34.7-177.6-70.6174-179.400113.1E121 P122E121-E125 WeakPolarHBondContact O-CG 3.28Å; E121-E125 PolarHBondContact O-N 2.98Å; P122-E125 PolarHBondContact O-N 3Å
126A79.6Confident78.2Confident71 Ų7160.7 Ų60.759%0.58736%0.364SS*.Hα-helixtrans-71.2-51.9179.800000112.9P122P122-A126 WeakPolarHBondContact O-CB 3.44Å; P122-A126 PolarHBondContact O-N 2.87Å
127D75.6Confident78.5Confident111 Ų11160.8 Ų60.859%0.59436%0.356SS*.Hα-helixtrans-128.7-6.5-164.2-60.3-42.8000114.3C123C123-D127 PolarHBondContact O-N 3.15Å
128H74.7Confident78.6Confident22 Ų2260.6 Ų60.610%0.10236%0.357CS..  trans-133.147.8-173.6-61.365000112.1L119 R124 H133 T135L119-H128 HydrophobicContact CD1-CB 4Å; L119-H128 VanDerWaalsContact CD1-CD2 3.49Å; L119-H128 WeakPolarHBondContact CD1-CD2 3.17Å; R124-H128 CarbonylContact O-C 3.56Å; R124-H128 WeakPolarHBondContact O-CA 3.27Å; R124-H128 PolarHBondContact O-N 3.43Å; H128-H133 HydrophobicContact CB-CB 4.16Å; H128-H133 AromaticContact CD2-CE1 3.75Å; H128-H133 AromaticContact CD2-ND1 3.04Å; H128-H133 PolarHBondContact CD2-ND1 2.91Å; H128-H133 AromaticContact CG-ND1 3.45Å; H128-H133 AromaticContact NE2-ND1 3.76Å; H128-T135 HydrophobicContact CB-CG2 4.32Å
129Q73.9Confident78.4Confident127 Ų12766.7 Ų66.759%0.59338%0.38SS*.  trans-88.2144179.4-148.4166.210.600111.3R124 G132R124-Q129 PolarHBondContact O-N 3.37Å; Q129-G132 PolarHBondContact O-N 3.08Å
130P68.6Low78.4Confident85 Ų8571.9 Ų71.955%0.55240%0.404SS*.THydrogen-bonded Turntrans-61.5143.9169.4-1931.2000110.5
131P60.1Low78.4Confident141 Ų14172 Ų7292%0.91641%0.405SS*.THydrogen-bonded Turncis-92.5-0.814.334.7-34.7000115.5
132G71.6Confident78.5Confident59 Ų5969.4 Ų69.461%0.60840%0.398SS*.THydrogen-bonded Turntrans-68.8-43-174.700000113.5Q129Q129-G132 PolarHBondContact O-N 3.08Å
133H79.3Confident78.7Confident60 Ų6072 Ų7228%0.27841%0.406SS..SBendtrans-126.7135.6-175.7-71.3168.3000112C115 H128C115-H133 PolarHBondContact SG-CE1 2.78Å; H128-H133 HydrophobicContact CB-CB 4.16Å; H128-H133 AromaticContact CD2-CE1 3.75Å; H128-H133 AromaticContact CD2-ND1 3.04Å; H128-H133 PolarHBondContact CD2-ND1 2.91Å; H128-H133 AromaticContact CG-ND1 3.45Å; H128-H133 AromaticContact NE2-ND1 3.76Å
134C81.3Confident78.9Confident61 Ų6174.6 Ų74.641%0.41242%0.416SS..  trans-89.7109.6177.3-178.60000110C112 R113 S114C112-C134 CarbonylContact C-O 3.02Å; C112-C134 WeakPolarHBondContact CA-O 3.49Å; R113-C134 HydrophobicContact CB-CB 4.45Å; R113-C134 PolarHBondContact N-O 3.18Å; S114-C134 PolarHBondContact OG-N 3.5Å
135T83.3Confident78.9Confident25 Ų2577.8 Ų77.815%0.15343%0.428CS..EExtended strand (participates in β ladder)trans-112.1136.4-179.661.70000111.7F111 C112 R124 H128F111-T135 CarbonylContact O-C 2.81Å; F111-T135 VanDerWaalsContact O-CA 3.31Å; F111-T135 WeakPolarHBondContact O-CA 3.45Å; C112-T135 HydrophobicContact CB-CG2 4.11Å; R124-T135 HydrophobicContact CG-CG2 4.29Å; H128-T135 HydrophobicContact CB-CG2 4.32Å
136L85.1Confident79.1Confident42 Ų4280.5 Ų80.522%0.2243%0.434CS..EExtended strand (participates in β ladder)trans-130.1156176.1-67.5166.5000110.5Q110 F111 R113 V138Q110-L136 CarbonylContact C-O 3.52Å; Q110-L136 PolarHBondContact OE1-O 3.29Å; F111-L136 PolarHBondContact N-O 3.41Å; F111-L136 PolarHBondContact O-N 2.95Å; R113-L136 HydrophobicContact CG-CD1 4.32Å; R113-L136 VanDerWaalsContact NH2-CD1 3.34Å; L136-V138 PolarHBondContact O-N 2.96Å
137P84.3Confident79.4Confident48 Ų4884.4 Ų84.431%0.31243%0.433SS..EExtended strand (participates in β ladder)trans-55.4137.3170.5-23.734.4000111.4K139 E140 A141P137-K139 PolarHBondContact O-N 2.94Å; P137-K139 VanDerWaalsContact O-N 3.15Å; P137-E140 HydrophobicContact CB-CG 4.35Å; P137-E140 PolarHBondContact O-N 2.85Å; P137-A141 PolarHBondContact O-N 2.93Å; P137-A141 VanDerWaalsContact O-N 3.16Å
138V82.4Confident79.9Confident49 Ų4982.4 Ų82.430%0.29742%0.423SS..Hα-helixtrans-56.9-34.7-177.9172.40000112.1R109 F111 V118 L136 A142R109-V138 PolarHBondContact O-N 3.42Å; F111-V138 HydrophobicContact CB-CG2 4.15Å; V118-V138 HydrophobicContact CG1-CG2 4.43Å; L136-V138 PolarHBondContact O-N 2.96Å; V138-A142 VanDerWaalsContact O-CB 3.25Å; V138-A142 WeakPolarHBondContact O-CB 3.44Å; V138-A142 PolarHBondContact O-N 3.35Å
139K78.3Confident80.4Confident166 Ų16687.8 Ų87.872%0.72245%0.446SS*.Hα-helixtrans-61.6-50178.6-69.9-172.4176.8-176.20112P137 A142 E143P137-K139 PolarHBondContact O-N 2.94Å; P137-K139 VanDerWaalsContact O-N 3.15Å; K139-A142 PolarHBondContact O-N 2.93Å; K139-E143 WeakPolarHBondContact O-CG 3.28Å; K139-E143 PolarHBondContact O-N 2.97Å
140E83.4Confident81Confident109 Ų10983.3 Ų83.351%0.50943%0.434SS..Hα-helixtrans-65.4-44.2-179.1-66174.6-164.600111.5P137 A142 E143 E144P137-E140 HydrophobicContact CB-CG 4.35Å; P137-E140 PolarHBondContact O-N 2.85Å; E140-A142 VanDerWaalsContact C-N 3.3Å; E140-A142 PolarHBondContact O-N 3.27Å; E140-E143 PolarHBondContact O-N 2.8Å; E140-E144 PolarHBondContact O-N 3.5Å
141A82.6Confident82Confident5 Ų583.5 Ų83.54%0.04143%0.428CS..Hα-helixtrans-63.9-34.1176.900000112.8F111 P137 R145F111-A141 HydrophobicContact CB-CB 4.09Å; F111-A141 HydrophobicContact CD1-CB 3.61Å; F111-A141 HydrophobicContact CE1-CB 4.42Å; F111-A141 HydrophobicContact CG-CB 4.08Å; P137-A141 PolarHBondContact O-N 2.93Å; P137-A141 VanDerWaalsContact O-N 3.16Å; A141-R145 WeakPolarHBondContact O-CG 3.42Å; A141-R145 PolarHBondContact O-N 3.03Å
142A81.4Confident83.4Confident29 Ų2982.7 Ų82.724%0.2441%0.41CS..Hα-helixtrans-72.2-39.1175.400000112V138 K139 E140 R145 R146V138-A142 VanDerWaalsContact O-CB 3.25Å; V138-A142 WeakPolarHBondContact O-CB 3.44Å; V138-A142 PolarHBondContact O-N 3.35Å; K139-A142 PolarHBondContact O-N 2.93Å; E140-A142 VanDerWaalsContact C-N 3.3Å; E140-A142 PolarHBondContact O-N 3.27Å; A142-R145 PolarHBondContact O-N 2.83Å; A142-R146 WeakPolarHBondContact O-CB 3.34Å; A142-R146 VanDerWaalsContact O-CG 3.23Å; A142-R146 WeakPolarHBondContact O-CG 3.04Å; A142-R146 PolarHBondContact O-N 3.38Å
143E84.4Confident84.2Confident111 Ų11183.7 Ų83.752%0.51940%0.401SS..Hα-helixtrans-64.8-42.5177.3-76.1170.2-17200112.4K139 E140 R146 R147K139-E143 WeakPolarHBondContact O-CG 3.28Å; K139-E143 PolarHBondContact O-N 2.97Å; E140-E143 PolarHBondContact O-N 2.8Å; E143-R146 PolarHBondContact O-N 2.79Å; E143-R147 PolarHBondContact O-N 3.41Å
144E84Confident84.8Confident69 Ų6984 Ų8432%0.32241%0.407SS..Hα-helixtrans-60.5-48174.4-173.9-176.1-147.800111.5R113 E140 R146 R147 D148R113-E144 IonicContact CZ-OE1 3.88Å; R113-E144 IonicContact CZ-OE2 3.51Å; R113-E144 IonicContact NE-OE2 3.93Å; R113-E144 IonicContact NH2-OE1 2.97Å; R113-E144 PolarHBondContact NH2-OE1 3.3Å; R113-E144 IonicContact NH2-OE2 2.59Å; R113-E144 PolarHBondContact NH2-OE2 3.33Å; E140-E144 PolarHBondContact O-N 3.5Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 2.75Å; E144-R147 WeakPolarHBondContact O-CB 3.33Å; E144-R147 PolarHBondContact O-N 2.98Å; E144-D148 PolarHBondContact O-N 2.8Å
145R82.9Confident85.3Confident134 Ų13489.2 Ų89.251%0.50642%0.418SS..Hα-helixtrans-61.9-39.4175.5-74.8-178.1178.4-166.9-1.5112.5F111 A141 A142 R147 D148 F149F111-R145 VanDerWaalsContact CZ-NH2 3.27Å; A141-R145 WeakPolarHBondContact O-CG 3.42Å; A141-R145 PolarHBondContact O-N 3.03Å; A142-R145 PolarHBondContact O-N 2.83Å; R145-R147 VanDerWaalsContact C-N 3.32Å; R145-D148 PolarHBondContact O-N 3.44Å; R145-F149 WeakPolarHBondContact O-CD2 3.36Å; R145-F149 PolarHBondContact O-N 2.83Å
146R83.8Confident85.4Confident167 Ų16793 Ų9363%0.6344%0.437SS*.Hα-helixtrans-62.5-40.2176.2-76.9173.7-164.71511.7111.4A142 E143 E144 G150A142-R146 WeakPolarHBondContact O-CB 3.34Å; A142-R146 VanDerWaalsContact O-CG 3.23Å; A142-R146 WeakPolarHBondContact O-CG 3.04Å; A142-R146 PolarHBondContact O-N 3.38Å; E143-R146 PolarHBondContact O-N 2.79Å; E144-R146 VanDerWaalsContact C-N 3.33Å; E144-R146 PolarHBondContact O-N 2.75Å; R146-G150 PolarHBondContact O-N 3.41Å
147R86.5Confident85.7Confident152 Ų15298.1 Ų98.157%0.57445%0.453SS*.Hα-helixtrans-62.7-48.6175.6-173.8-17763-178.5-2.9111.2E143 E144 R145 F149 G150 E151E143-R147 PolarHBondContact O-N 3.41Å; E144-R147 WeakPolarHBondContact O-CB 3.33Å; E144-R147 PolarHBondContact O-N 2.98Å; R145-R147 VanDerWaalsContact C-N 3.32Å; R147-F149 VanDerWaalsContact C-N 3.34Å; R147-F149 PolarHBondContact O-N 2.83Å; R147-G150 WeakPolarHBondContact O-CA 3.23Å; R147-G150 PolarHBondContact O-N 3.02Å; R147-E151 PolarHBondContact O-N 3.42Å
148D85.3Confident86.1Confident70 Ų70102.4 Ų102.437%0.37447%0.469SS..Hα-helixtrans-59.9-42.7178.8-71.64.5000112.4E144 R145 G150 E151 K152E144-D148 PolarHBondContact O-N 2.8Å; R145-D148 PolarHBondContact O-N 3.44Å; D148-G150 VanDerWaalsContact C-N 3.35Å; D148-E151 PolarHBondContact O-N 2.82Å; D148-K152 WeakPolarHBondContact O-CG 3.34Å; D148-K152 PolarHBondContact O-N 2.89Å; D148-K152 VanDerWaalsContact O-N 3.09Å
149F84.9Confident86.5Confident134 Ų134105 Ų10559%0.58848%0.481SS*.Hα-helixtrans-68.4-34.8174.5-75.6-58.3000112.3R145 R147 K152 L153R145-F149 WeakPolarHBondContact O-CD2 3.36Å; R145-F149 PolarHBondContact O-N 2.83Å; R147-F149 VanDerWaalsContact C-N 3.34Å; R147-F149 PolarHBondContact O-N 2.83Å; F149-K152 PolarHBondContact O-N 2.77Å; F149-L153 VanDerWaalsContact O-CB 3.26Å; F149-L153 WeakPolarHBondContact O-CB 3.4Å; F149-L153 PolarHBondContact O-N 3.21Å
150G86.8Confident86.8Confident33 Ų33103 Ų10334%0.3448%0.475SS..Hα-helixtrans-58.6-47.617300000112.1R146 R147 D148 L153 T154R146-G150 PolarHBondContact O-N 3.41Å; R147-G150 WeakPolarHBondContact O-CA 3.23Å; R147-G150 PolarHBondContact O-N 3.02Å; D148-G150 VanDerWaalsContact C-N 3.35Å; G150-L153 WeakPolarHBondContact O-CB 3.48Å; G150-L153 PolarHBondContact O-N 2.82Å; G150-T154 PolarHBondContact O-N 2.76Å; G150-T154 PolarHBondContact O-OG1 2.69Å
151E90.9Very high87.1Confident90 Ų9099.5 Ų99.542%0.42147%0.469SS..Hα-helixtrans-66.2-37.7177.2-69.6-179.2-166.700113.1R147 D148 L153 T154 R155R147-E151 PolarHBondContact O-N 3.42Å; D148-E151 PolarHBondContact O-N 2.82Å; E151-L153 VanDerWaalsContact C-N 3.33Å; E151-T154 WeakPolarHBondContact CA-OG1 3.5Å; E151-T154 PolarHBondContact O-OG1 3.02Å; E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 3.41Å
152K88.4Confident87.6Confident123 Ų123102.4 Ų102.454%0.53548%0.481SS..Hα-helixtrans-66.4-38.4174-72.2174.5-176.5175.20111.3D148 F149 R155 L156D148-K152 WeakPolarHBondContact O-CG 3.34Å; D148-K152 PolarHBondContact O-N 2.89Å; D148-K152 VanDerWaalsContact O-N 3.09Å; F149-K152 PolarHBondContact O-N 2.77Å; K152-R155 PolarHBondContact O-N 2.85Å; K152-L156 WeakPolarHBondContact O-CG 3.29Å; K152-L156 PolarHBondContact O-N 3.21Å
153L88.6Confident87.6Confident80 Ų80105.7 Ų105.742%0.41949%0.494SS..Hα-helixtrans-67.5-39.7178.9-175.465.7000112.1F149 G150 E151 L156 R157F149-L153 VanDerWaalsContact O-CB 3.26Å; F149-L153 WeakPolarHBondContact O-CB 3.4Å; F149-L153 PolarHBondContact O-N 3.21Å; G150-L153 WeakPolarHBondContact O-CB 3.48Å; G150-L153 PolarHBondContact O-N 2.82Å; E151-L153 VanDerWaalsContact C-N 3.33Å; L153-L156 PolarHBondContact O-N 2.9Å; L153-R157 WeakPolarHBondContact O-CG 3.32Å; L153-R157 PolarHBondContact O-N 2.76Å
154T91.3Very high87.7Confident68 Ų68105.9 Ų105.942%0.41750%0.495SS..Hα-helixtrans-63.2-46.3175510000111.3G150 E151 L156 R157 E158G150-T154 PolarHBondContact O-N 2.76Å; G150-T154 PolarHBondContact O-OG1 2.69Å; E151-T154 WeakPolarHBondContact CA-OG1 3.5Å; E151-T154 PolarHBondContact O-OG1 3.02Å; T154-L156 VanDerWaalsContact C-N 3.32Å; T154-L156 PolarHBondContact O-N 2.8Å; T154-R157 PolarHBondContact O-N 2.86Å; T154-R157 VanDerWaalsContact O-N 3.13Å; T154-E158 PolarHBondContact O-N 3.47Å
155R91.8Very high88.1Confident169 Ų169110.7 Ų110.764%0.63851%0.511SS*.Hα-helixtrans-57.6-42.3174.9-68.4178.2-162.2-142.25.9112.7E151 K152 E158 L159E151-R155 WeakPolarHBondContact O-CG 3.48Å; E151-R155 PolarHBondContact O-N 3.41Å; K152-R155 PolarHBondContact O-N 2.85Å; R155-E158 PolarHBondContact O-N 2.82Å; R155-L159 WeakPolarHBondContact O-CB 3.46Å; R155-L159 PolarHBondContact O-N 2.85Å
156L87.1Confident88.3Confident105 Ų105112 Ų11255%0.5552%0.515SS..Hα-helixtrans-65.8-38.8177.2-75.7172.6000112.2K152 L153 T154 L159 M160K152-L156 WeakPolarHBondContact O-CG 3.29Å; K152-L156 PolarHBondContact O-N 3.21Å; L153-L156 PolarHBondContact O-N 2.9Å; T154-L156 VanDerWaalsContact C-N 3.32Å; T154-L156 PolarHBondContact O-N 2.8Å; L156-L159 PolarHBondContact O-N 2.82Å; L156-M160 WeakPolarHBondContact O-CG 3.46Å; L156-M160 PolarHBondContact O-N 2.85Å
157R90.1Very high88.1Confident150 Ų150109.6 Ų109.657%0.56651%0.509SS*.Hα-helixtrans-64.6-41.8176-74.4171.9178.5166.4-1.2112.1L153 T154 M160 G161L153-R157 WeakPolarHBondContact O-CG 3.32Å; L153-R157 PolarHBondContact O-N 2.76Å; T154-R157 PolarHBondContact O-N 2.86Å; T154-R157 VanDerWaalsContact O-N 3.13Å; R157-M160 HydrophobicContact CG-CE 4.39Å; R157-M160 PolarHBondContact O-N 3.38Å; R157-G161 PolarHBondContact O-N 2.99Å
158E93Very high88.2Confident138 Ų138106.3 Ų106.365%0.64551%0.506SS*.Hα-helixtrans-62.1-44.9174.8-71.4171.1-178.500111.5T154 R155 M160 G161 E162T154-E158 PolarHBondContact O-N 3.47Å; R155-E158 PolarHBondContact O-N 2.82Å; E158-M160 PolarHBondContact O-N 2.89Å; E158-G161 PolarHBondContact O-N 3.17Å; E158-G161 VanDerWaalsContact O-N 3.14Å; E158-E162 PolarHBondContact O-N 2.89Å
159L91.5Very high88.4Confident104 Ų104105.9 Ų105.955%0.54551%0.513SS..Hα-helixtrans-64.1-39.6177.8-166.8121.8000112.2R155 L156 G161 E162 L163R155-L159 WeakPolarHBondContact O-CB 3.46Å; R155-L159 PolarHBondContact O-N 2.85Å; L156-L159 PolarHBondContact O-N 2.82Å; L159-G161 VanDerWaalsContact C-N 3.32Å; L159-G161 PolarHBondContact O-N 3.11Å; L159-E162 PolarHBondContact O-N 2.8Å; L159-L163 HydrophobicContact CD2-CD1 3.73Å; L159-L163 HydrophobicContact CD2-CG 4.4Å; L159-L163 HydrophobicContact CG-CD1 4.47Å; L159-L163 WeakPolarHBondContact O-CB 3.25Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.2Å; L159-L163 PolarHBondContact O-N 3.36Å
160M85Confident88Confident122 Ų122105.9 Ų105.960%0.60152%0.518SS*.Hα-helixtrans-61.6-40.8172.3-74.1-162.8-5500111.9L156 R157 E158 L163 Q164L156-M160 WeakPolarHBondContact O-CG 3.46Å; L156-M160 PolarHBondContact O-N 2.85Å; R157-M160 HydrophobicContact CG-CE 4.39Å; R157-M160 PolarHBondContact O-N 3.38Å; E158-M160 PolarHBondContact O-N 2.89Å; M160-L163 PolarHBondContact O-N 3.43Å; M160-Q164 WeakPolarHBondContact O-CB 3.34Å; M160-Q164 PolarHBondContact O-N 3.31Å
161G89.8Confident87.8Confident36 Ų36108.5 Ų108.537%0.37152%0.521SS..Hα-helixtrans-61.8-43.7175.100000112.6R157 E158 L159 Q164 R165R157-G161 PolarHBondContact O-N 2.99Å; E158-G161 PolarHBondContact O-N 3.17Å; E158-G161 VanDerWaalsContact O-N 3.14Å; L159-G161 VanDerWaalsContact C-N 3.32Å; L159-G161 PolarHBondContact O-N 3.11Å; G161-Q164 PolarHBondContact O-N 3.1Å; G161-R165 WeakPolarHBondContact O-CG 3.36Å; G161-R165 PolarHBondContact O-N 3.47Å
162E91.4Very high87.5Confident66 Ų66105.7 Ų105.731%0.30852%0.516SS..Hα-helixtrans-63-46.7176-179.260.5-162.600112.2E158 L159 Q164 R165 R166E158-E162 PolarHBondContact O-N 2.89Å; L159-E162 PolarHBondContact O-N 2.8Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.05Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE2-CZ 2.82Å; E162-R165 IonicContact OE2-NE 2.7Å; E162-R165 IonicContact OE2-NH2 3.35Å; E162-R165 PolarHBondContact OE2-NH2 3.19Å; E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 3.08Å; E162-R166 IonicContact OE1-CZ 2.76Å; E162-R166 IonicContact OE1-NE 2.75Å; E162-R166 PolarHBondContact OE1-NE 2.89Å; E162-R166 IonicContact OE1-NH2 3.67Å; E162-R166 PolarHBondContact OE1-NH2 3.29Å
163L82.8Confident87.4Confident98 Ų98104.5 Ų104.551%0.51352%0.519SS..Hα-helixtrans-61.3-40.2177-72.8174.5000111.8L159 M160 R166 K167L159-L163 HydrophobicContact CD2-CD1 3.73Å; L159-L163 HydrophobicContact CD2-CG 4.4Å; L159-L163 HydrophobicContact CG-CD1 4.47Å; L159-L163 WeakPolarHBondContact O-CB 3.25Å; L159-L163 VanDerWaalsContact O-CG 3.32Å; L159-L163 WeakPolarHBondContact O-CG 3.2Å; L159-L163 PolarHBondContact O-N 3.36Å; M160-L163 PolarHBondContact O-N 3.43Å; L163-R166 PolarHBondContact O-N 3.08Å; L163-K167 WeakPolarHBondContact O-CB 3.32Å; L163-K167 PolarHBondContact O-N 2.92Å
164Q86.1Confident86.6Confident115 Ų115103.6 Ų103.654%0.53752%0.52SS..Hα-helixtrans-65.2-40.9177.8-169.265.77.800111.7M160 G161 E162 K167 V168M160-Q164 WeakPolarHBondContact O-CB 3.34Å; M160-Q164 PolarHBondContact O-N 3.31Å; G161-Q164 PolarHBondContact O-N 3.1Å; E162-Q164 VanDerWaalsContact C-N 3.31Å; E162-Q164 PolarHBondContact O-N 3.05Å; Q164-K167 PolarHBondContact O-N 2.97Å; Q164-V168 WeakPolarHBondContact O-CG2 3.35Å; Q164-V168 PolarHBondContact O-N 3.15Å; Q164-V168 VanDerWaalsContact O-N 3.1Å
165R91.5Very high86.3Confident171 Ų171107 Ų10765%0.64553%0.529SS*.Hα-helixtrans-62.2-44.1174.2-72.5-171.9-65.3-173.9-0.8111.9G161 E162 K167 V168 A169G161-R165 WeakPolarHBondContact O-CG 3.36Å; G161-R165 PolarHBondContact O-N 3.47Å; E162-R165 PolarHBondContact O-N 3.27Å; E162-R165 IonicContact OE2-CZ 2.82Å; E162-R165 IonicContact OE2-NE 2.7Å; E162-R165 IonicContact OE2-NH2 3.35Å; E162-R165 PolarHBondContact OE2-NH2 3.19Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K167 PolarHBondContact O-N 3.36Å; R165-V168 PolarHBondContact O-N 2.95Å; R165-A169 PolarHBondContact O-N 3.11Å
166R87.4Confident86.1Confident160 Ų160103.9 Ų103.960%0.60453%0.525SS*.Hα-helixtrans-62.8-39.9176.6-71.1-179-175.2-161.1-1.3112.4E162 L163 A169 L170E162-R166 WeakPolarHBondContact O-CG 3.46Å; E162-R166 PolarHBondContact O-N 3.08Å; E162-R166 IonicContact OE1-CZ 2.76Å; E162-R166 IonicContact OE1-NE 2.75Å; E162-R166 PolarHBondContact OE1-NE 2.89Å; E162-R166 IonicContact OE1-NH2 3.67Å; E162-R166 PolarHBondContact OE1-NH2 3.29Å; L163-R166 PolarHBondContact O-N 3.08Å; R166-A169 PolarHBondContact O-N 2.88Å; R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 PolarHBondContact O-N 2.59Å
167K80.6Confident85.6Confident117 Ų117104.6 Ų104.651%0.50953%0.528SS..Hα-helixtrans-60-48.7175.9-178.1177.8175.4-179.70111.5L163 Q164 R165 A169 L170 E171L163-K167 WeakPolarHBondContact O-CB 3.32Å; L163-K167 PolarHBondContact O-N 2.92Å; Q164-K167 PolarHBondContact O-N 2.97Å; R165-K167 VanDerWaalsContact C-N 3.34Å; R165-K167 PolarHBondContact O-N 3.36Å; K167-A169 VanDerWaalsContact C-N 3.32Å; K167-A169 PolarHBondContact O-N 3.27Å; K167-L170 PolarHBondContact O-N 3.4Å; K167-E171 WeakPolarHBondContact CE-OE1 3.43Å; K167-E171 WeakPolarHBondContact O-CG 3.42Å; K167-E171 PolarHBondContact O-N 3.07Å
168V88.7Confident85.2Confident84 Ų84102.8 Ų102.851%0.50953%0.526SS..Hα-helixtrans-62-40.5178.3173.90000111.4Q164 R165 E171 G172Q164-V168 WeakPolarHBondContact O-CG2 3.35Å; Q164-V168 PolarHBondContact O-N 3.15Å; Q164-V168 VanDerWaalsContact O-N 3.1Å; R165-V168 PolarHBondContact O-N 2.95Å; V168-E171 PolarHBondContact O-N 2.92Å; V168-G172 PolarHBondContact O-N 2.83Å
169A88Confident84.8Confident61 Ų6199 Ų9950%0.50452%0.519SS..Hα-helixtrans-62.4-42.7175.400000112.2R165 R166 K167 G172 V173R165-A169 PolarHBondContact O-N 3.11Å; R166-A169 PolarHBondContact O-N 2.88Å; K167-A169 VanDerWaalsContact C-N 3.32Å; K167-A169 PolarHBondContact O-N 3.27Å; A169-G172 PolarHBondContact O-N 2.93Å; A169-V173 WeakPolarHBondContact O-CG2 3.41Å; A169-V173 PolarHBondContact O-N 2.81Å
170L78.2Confident84.6Confident133 Ų133102.7 Ų102.770%0.69653%0.525SS*.Hα-helixtrans-64.7-40.6177.7-157.8101.5000112R166 K167 G172 V173 S174R166-L170 WeakPolarHBondContact O-CB 3.36Å; R166-L170 PolarHBondContact O-N 2.59Å; K167-L170 PolarHBondContact O-N 3.4Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.09Å; L170-V173 PolarHBondContact O-N 3.13Å; L170-S174 PolarHBondContact O-N 3.4Å
171E82Confident84Confident89 Ų89104.3 Ų104.342%0.41653%0.526SS..Hα-helixtrans-62.3-37.1173.7-73.5174.4-174.300111.8K167 V168 S174 K175K167-E171 WeakPolarHBondContact CE-OE1 3.43Å; K167-E171 WeakPolarHBondContact O-CG 3.42Å; K167-E171 PolarHBondContact O-N 3.07Å; V168-E171 PolarHBondContact O-N 2.92Å; E171-S174 PolarHBondContact O-N 2.78Å; E171-K175 WeakPolarHBondContact O-CG 3.25Å; E171-K175 PolarHBondContact O-N 3Å; E171-K175 VanDerWaalsContact O-N 3.12Å
172G83.8Confident83.8Confident30 Ų30108.9 Ų108.931%0.30954%0.535SS..Hα-helixtrans-60.7-52172.600000112.4V168 A169 L170 S174 K175 D176V168-G172 PolarHBondContact O-N 2.83Å; A169-G172 PolarHBondContact O-N 2.93Å; L170-G172 VanDerWaalsContact C-N 3.3Å; L170-G172 PolarHBondContact O-N 3.09Å; G172-S174 VanDerWaalsContact C-N 3.28Å; G172-S174 PolarHBondContact O-N 2.82Å; G172-K175 PolarHBondContact O-N 2.88Å; G172-K175 VanDerWaalsContact O-N 3.14Å; G172-D176 PolarHBondContact O-N 2.97Å
173V85.9Confident83.6Confident99 Ų99107.8 Ų107.860%0.654%0.538SS*.Hα-helixtrans-59-40.1178.2174.80000111.7A169 L170 D176 L177A169-V173 WeakPolarHBondContact O-CG2 3.41Å; A169-V173 PolarHBondContact O-N 2.81Å; L170-V173 PolarHBondContact O-N 3.13Å; V173-D176 PolarHBondContact O-N 3.18Å; V173-L177 WeakPolarHBondContact O-CB 3.1Å; V173-L177 PolarHBondContact O-N 3.44Å
174S72.6Confident83.8Confident61 Ų61107.4 Ų107.443%0.42754%0.539SS..Hα-helixtrans-62.4-42.9177.2-173.60000112.2L170 E171 G172 L177 Q178L170-S174 PolarHBondContact O-N 3.4Å; E171-S174 PolarHBondContact O-N 2.78Å; G172-S174 VanDerWaalsContact C-N 3.28Å; G172-S174 PolarHBondContact O-N 2.82Å; S174-L177 PolarHBondContact O-N 2.84Å; S174-Q178 WeakPolarHBondContact O-CG 3.47Å; S174-Q178 PolarHBondContact O-N 2.75Å
175K85.8Confident83.4Confident140 Ų140106.1 Ų106.161%0.60954%0.536SS*.Hα-helixtrans-64.9-42.8176.4-73.8176.6-178.4175.70112.1E171 G172 L177 Q178 A179E171-K175 WeakPolarHBondContact O-CG 3.25Å; E171-K175 PolarHBondContact O-N 3Å; E171-K175 VanDerWaalsContact O-N 3.12Å; G172-K175 PolarHBondContact O-N 2.88Å; G172-K175 VanDerWaalsContact O-N 3.14Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 3.35Å; K175-Q178 PolarHBondContact O-N 3.08Å; K175-A179 PolarHBondContact O-N 2.87Å
176D86.9Confident83.2Confident103 Ų103104.9 Ų104.955%0.55154%0.537SS*.Hα-helixtrans-62.6-42177.2-73.2-7000111.5G172 V173 A179 R180G172-D176 PolarHBondContact O-N 2.97Å; V173-D176 PolarHBondContact O-N 3.18Å; D176-A179 PolarHBondContact O-N 2.79Å; D176-R180 WeakPolarHBondContact O-CG 3.44Å; D176-R180 PolarHBondContact O-N 2.88Å
177L77.2Confident83.2Confident120 Ų120103.6 Ų103.663%0.62854%0.538SS*.Hα-helixtrans-64.6-41.9177-167.571.2000111.6V173 S174 K175 A179 R180 Y181V173-L177 WeakPolarHBondContact O-CB 3.1Å; V173-L177 PolarHBondContact O-N 3.44Å; S174-L177 PolarHBondContact O-N 2.84Å; K175-L177 VanDerWaalsContact C-N 3.34Å; K175-L177 PolarHBondContact O-N 3.35Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.12Å; L177-R180 PolarHBondContact O-N 3.19Å; L177-Y181 PolarHBondContact O-N 3.27Å
178Q80.3Confident83.1Confident112 Ų112105.6 Ų105.652%0.52354%0.543SS..Hα-helixtrans-63.1-39.1174.8-76.2-179.40.300112.3S174 K175 Y181 K182S174-Q178 WeakPolarHBondContact O-CG 3.47Å; S174-Q178 PolarHBondContact O-N 2.75Å; K175-Q178 PolarHBondContact O-N 3.08Å; Q178-Y181 PolarHBondContact O-N 3.37Å; Q178-K182 WeakPolarHBondContact O-CG 3.35Å; Q178-K182 PolarHBondContact O-N 3.32Å
179A85.1Confident82.8Confident59 Ų59102.4 Ų102.449%0.48853%0.527SS..Hα-helixtrans-64.1-4417600000111.4K175 D176 L177 K182 A183K175-A179 PolarHBondContact O-N 2.87Å; D176-A179 PolarHBondContact O-N 2.79Å; L177-A179 VanDerWaalsContact C-N 3.34Å; L177-A179 PolarHBondContact O-N 3.12Å; A179-K182 PolarHBondContact O-N 2.84Å; A179-A183 PolarHBondContact O-N 2.84Å
180R86.7Confident82.7Confident181 Ų181104.5 Ų104.568%0.68353%0.527SS*.Hα-helixtrans-61.9-44.4175.3-71.3-179.3-173.5-172.72.6112.4D176 L177 K182 A183 V184D176-R180 WeakPolarHBondContact O-CG 3.44Å; D176-R180 PolarHBondContact O-N 2.88Å; L177-R180 PolarHBondContact O-N 3.19Å; R180-K182 VanDerWaalsContact C-N 3.32Å; R180-K182 PolarHBondContact O-N 2.79Å; R180-A183 PolarHBondContact O-N 2.64Å; R180-V184 WeakPolarHBondContact O-CG2 3.4Å; R180-V184 PolarHBondContact O-N 2.89Å
181Y74.4Confident83Confident155 Ų155102.1 Ų102.161%0.60851%0.512SS*.Hα-helixtrans-60.1-42.7177.3-178.3-104.9000112L177 Q178 V184 L185L177-Y181 PolarHBondContact O-N 3.27Å; Q178-Y181 PolarHBondContact O-N 3.37Å; Y181-V184 PolarHBondContact O-N 3.07Å; Y181-L185 HydrophobicContact CD1-CD1 3.81Å; Y181-L185 HydrophobicContact CE1-CD1 3.28Å; Y181-L185 HydrophobicContact CE1-CG 4.15Å; Y181-L185 HydrophobicContact CE2-CD1 4.5Å; Y181-L185 PolarHBondContact O-N 2.67Å
182K84.6Confident82.7Confident132 Ų132102 Ų10257%0.57451%0.512SS*.Hα-helixtrans-63.9-39.7175.4-73.9177.6-179.1179.50112.6Q178 A179 R180 L185 Q186Q178-K182 WeakPolarHBondContact O-CG 3.35Å; Q178-K182 PolarHBondContact O-N 3.32Å; A179-K182 PolarHBondContact O-N 2.84Å; R180-K182 VanDerWaalsContact C-N 3.32Å; R180-K182 PolarHBondContact O-N 2.79Å; K182-L185 PolarHBondContact O-N 2.9Å; K182-Q186 WeakPolarHBondContact O-CG 3.44Å; K182-Q186 PolarHBondContact O-N 3.3Å
183A88.1Confident82.6Confident43 Ų43107.7 Ų107.736%0.35552%0.524SS..Hα-helixtrans-62.5-46.6176.900000111.5A179 R180 L185 Q186 E187A179-A183 PolarHBondContact O-N 2.84Å; R180-A183 PolarHBondContact O-N 2.64Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3.21Å; A183-Q186 WeakPolarHBondContact O-CB 3.21Å; A183-Q186 PolarHBondContact O-N 2.86Å; A183-Q186 VanDerWaalsContact O-N 3.11Å; A183-E187 PolarHBondContact O-N 2.77Å
184V85.3Confident82.6Confident91 Ų91108.3 Ų108.355%0.55252%0.515SS*.Hα-helixtrans-62-40.9177.6174.60000111.8R180 Y181 Q186 E187 Y188R180-V184 WeakPolarHBondContact O-CG2 3.4Å; R180-V184 PolarHBondContact O-N 2.89Å; Y181-V184 PolarHBondContact O-N 3.07Å; V184-Q186 VanDerWaalsContact C-N 3.31Å; V184-Q186 PolarHBondContact O-N 3.43Å; V184-E187 PolarHBondContact O-N 2.95Å; V184-Y188 WeakPolarHBondContact O-CB 3.02Å; V184-Y188 PolarHBondContact O-N 2.81Å
185L78.4Confident82.8Confident88 Ų88108.8 Ų108.846%0.46152%0.515SS..Hα-helixtrans-63.3-36.4174.9-79.2174.1000112.7Y181 K182 A183 G189Y181-L185 HydrophobicContact CD1-CD1 3.81Å; Y181-L185 HydrophobicContact CE1-CD1 3.28Å; Y181-L185 HydrophobicContact CE1-CG 4.15Å; Y181-L185 HydrophobicContact CE2-CD1 4.5Å; Y181-L185 PolarHBondContact O-N 2.67Å; K182-L185 PolarHBondContact O-N 2.9Å; A183-L185 VanDerWaalsContact C-N 3.34Å; A183-L185 PolarHBondContact O-N 3.21Å; L185-G189 PolarHBondContact O-N 2.7Å
186Q86.6Confident82.4Confident144 Ų144107 Ų10767%0.67351%0.509SS*.Hα-helixtrans-69-41.1176.1-74.6178.3-7.100112.1K182 A183 V184 G189 H190K182-Q186 WeakPolarHBondContact O-CG 3.44Å; K182-Q186 PolarHBondContact O-N 3.3Å; A183-Q186 WeakPolarHBondContact O-CB 3.21Å; A183-Q186 PolarHBondContact O-N 2.86Å; A183-Q186 VanDerWaalsContact O-N 3.11Å; V184-Q186 VanDerWaalsContact C-N 3.31Å; V184-Q186 PolarHBondContact O-N 3.43Å; Q186-G189 PolarHBondContact O-N 3.38Å; Q186-H190 PolarHBondContact O-N 3.15Å
187E87.6Confident82.2Confident133 Ų133106.6 Ų106.662%0.62151%0.507SS*.Hα-helixtrans-62.6-45.1174-73.7-179.5176.800111.3A183 V184 G189 H190 E191A183-E187 PolarHBondContact O-N 2.77Å; V184-E187 PolarHBondContact O-N 2.95Å; E187-G189 PolarHBondContact O-N 3.22Å; E187-H190 WeakPolarHBondContact O-CB 3.45Å; E187-H190 PolarHBondContact O-N 2.75Å; E187-H190 VanDerWaalsContact O-N 3.08Å; E187-E191 PolarHBondContact O-N 2.89Å
188Y78.4Confident82.3Confident159 Ų159104.1 Ų104.162%0.62449%0.492SS*.Hα-helixtrans-57.6-48.2174.9179.8-98.6000111.8V184 H190 E191 E192V184-Y188 WeakPolarHBondContact O-CB 3.02Å; V184-Y188 PolarHBondContact O-N 2.81Å; Y188-H190 PolarHBondContact O-N 3.37Å; Y188-E191 PolarHBondContact O-N 3.43Å; Y188-E192 WeakPolarHBondContact O-CB 3.45Å; Y188-E192 PolarHBondContact O-N 3.03Å
189G82.3Confident82Confident17 Ų17103.2 Ų103.218%0.17549%0.491CS..Hα-helixtrans-68.6-16.6177.300000114.4L185 Q186 E187 R193L185-G189 PolarHBondContact O-N 2.7Å; Q186-G189 PolarHBondContact O-N 3.38Å; E187-G189 PolarHBondContact O-N 3.22Å; G189-R193 WeakPolarHBondContact O-CG 3.41Å; G189-R193 PolarHBondContact O-NE 2.92Å
190H87.4Confident81.6Confident105 Ų105103.1 Ų103.149%0.48649%0.49SS..Hα-helixtrans-77.7-48.2170179.9-89000110.9Q186 E187 Y188 E192 R193 R194Q186-H190 PolarHBondContact O-N 3.15Å; E187-H190 WeakPolarHBondContact O-CB 3.45Å; E187-H190 PolarHBondContact O-N 2.75Å; E187-H190 VanDerWaalsContact O-N 3.08Å; Y188-H190 PolarHBondContact O-N 3.37Å; H190-E192 VanDerWaalsContact C-N 3.35Å; H190-E192 PolarHBondContact O-N 3.05Å; H190-R193 PolarHBondContact O-N 3.09Å; H190-R194 PolarHBondContact O-N 3.06Å
191E82.8Confident81.1Confident83 Ų83102.1 Ų102.139%0.38849%0.486SS..Hα-helixtrans-65.1-38177.9-70.4-50.8113.700112.4E187 Y188 R193 R194 V195E187-E191 PolarHBondContact O-N 2.89Å; Y188-E191 PolarHBondContact O-N 3.43Å; E191-R193 PolarHBondContact O-N 2.82Å; E191-R194 WeakPolarHBondContact O-CB 3.33Å; E191-R194 PolarHBondContact O-N 3.03Å; E191-R194 IonicContact OE1-NE 3.89Å; E191-R194 IonicContact OE2-CZ 3.53Å; E191-R194 IonicContact OE2-NE 3.18Å; E191-R194 PolarHBondContact OE2-NE 2.77Å; E191-R194 IonicContact OE2-NH2 3.27Å; E191-R194 PolarHBondContact OE2-NH2 2.9Å; E191-V195 WeakPolarHBondContact O-CG2 3.24Å; E191-V195 PolarHBondContact O-N 3.4Å
192E77.3Confident81.2Confident88 Ų8896 Ų9641%0.41147%0.466SS..Hα-helixtrans-58.3-48.4174.1-173.4-173.5-177.300111.4Y188 H190 R194 V195 Q196Y188-E192 WeakPolarHBondContact O-CB 3.45Å; Y188-E192 PolarHBondContact O-N 3.03Å; H190-E192 VanDerWaalsContact C-N 3.35Å; H190-E192 PolarHBondContact O-N 3.05Å; E192-R194 VanDerWaalsContact C-N 3.32Å; E192-R194 PolarHBondContact O-N 3.33Å; E192-V195 PolarHBondContact O-N 3.29Å; E192-Q196 WeakPolarHBondContact O-CG 3.36Å; E192-Q196 PolarHBondContact O-N 2.93Å; E192-Q196 PolarHBondContact OE1-NE2 3.5Å
193R81.9Confident80.7Confident148 Ų14898.5 Ų98.556%0.55847%0.472SS*.Hα-helixtrans-61.9-39.7176.5-82.4-178.3-74.1155.2-3.9112G189 H190 E191 V195 Q196 D197G189-R193 WeakPolarHBondContact O-CG 3.41Å; G189-R193 PolarHBondContact O-NE 2.92Å; H190-R193 PolarHBondContact O-N 3.09Å; E191-R193 PolarHBondContact O-N 2.82Å; R193-V195 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.97Å; R193-Q196 PolarHBondContact O-N 2.84Å; R193-D197 WeakPolarHBondContact O-CB 3.4Å; R193-D197 VanDerWaalsContact O-CG 3.31Å; R193-D197 PolarHBondContact O-N 2.74Å
194R84.8Confident80Confident113 Ų113104.3 Ų104.343%0.42649%0.489SS..Hα-helixtrans-59.7-45.3176.4-170.2174.972.294.9-7.4111.5H190 E191 E192 D197 E198H190-R194 PolarHBondContact O-N 3.06Å; E191-R194 WeakPolarHBondContact O-CB 3.33Å; E191-R194 PolarHBondContact O-N 3.03Å; E191-R194 IonicContact OE1-NE 3.89Å; E191-R194 IonicContact OE2-CZ 3.53Å; E191-R194 IonicContact OE2-NE 3.18Å; E191-R194 PolarHBondContact OE2-NE 2.77Å; E191-R194 IonicContact OE2-NH2 3.27Å; E191-R194 PolarHBondContact OE2-NH2 2.9Å; E192-R194 VanDerWaalsContact C-N 3.32Å; E192-R194 PolarHBondContact O-N 3.33Å; R194-D197 PolarHBondContact O-N 2.82Å; R194-E198 IonicContact NH1-OE1 3Å; R194-E198 PolarHBondContact NH1-OE1 2.82Å; R194-E198 VanDerWaalsContact NH1-OE1 3.13Å; R194-E198 WeakPolarHBondContact O-CG 3.41Å; R194-E198 PolarHBondContact O-N 2.74Å
195V77.3Confident79.5Confident71 Ų71107.3 Ų107.343%0.4350%0.495SS..Hα-helixtrans-66.1-42.3176.6174.80000111.3E191 E192 R193 D197 E198 L199E191-V195 WeakPolarHBondContact O-CG2 3.24Å; E191-V195 PolarHBondContact O-N 3.4Å; E192-V195 PolarHBondContact O-N 3.29Å; R193-V195 VanDerWaalsContact C-N 3.34Å; R193-V195 PolarHBondContact O-N 2.97Å; V195-D197 VanDerWaalsContact C-N 3.35Å; V195-D197 PolarHBondContact O-N 3.42Å; V195-E198 PolarHBondContact O-N 3Å; V195-L199 WeakPolarHBondContact O-CB 3.42Å; V195-L199 PolarHBondContact O-N 2.8Å
196Q77.6Confident79.2Confident102 Ų102105 Ų10548%0.47748%0.481SS..Hα-helixtrans-61.3-41.7175.9-73.6176.70.600112.1E192 R193 L199 A200E192-Q196 WeakPolarHBondContact O-CG 3.36Å; E192-Q196 PolarHBondContact O-N 2.93Å; E192-Q196 PolarHBondContact OE1-NE2 3.5Å; R193-Q196 PolarHBondContact O-N 2.84Å; Q196-L199 PolarHBondContact O-N 2.83Å; Q196-A200 VanDerWaalsContact O-CB 3.27Å; Q196-A200 WeakPolarHBondContact O-CB 3.47Å; Q196-A200 PolarHBondContact O-N 3.47Å
197D81.9Confident78.7Confident95 Ų95101.3 Ų101.351%0.50847%0.469SS..Hα-helixtrans-68.4-38.2177.9-74.8-20.1000112.3R193 R194 V195 R201R193-D197 WeakPolarHBondContact O-CB 3.4Å; R193-D197 VanDerWaalsContact O-CG 3.31Å; R193-D197 PolarHBondContact O-N 2.74Å; R194-D197 PolarHBondContact O-N 2.82Å; V195-D197 VanDerWaalsContact C-N 3.35Å; V195-D197 PolarHBondContact O-N 3.42Å; D197-R201 WeakPolarHBondContact O-CB 3.48Å; D197-R201 WeakPolarHBondContact O-CG 3.12Å; D197-R201 PolarHBondContact O-N 3.35Å; D197-R201 VanDerWaalsContact O-N 3.07Å; D197-R201 PolarHBondContact O-NE 2.81Å; D197-R201 VanDerWaalsContact O-NE 3.09Å
198E78.8Confident78.2Confident67 Ų6796.5 Ų96.531%0.31346%0.455SS..Hα-helixtrans-63.6-45.4172-74.9177.3-164.300111.2R194 V195 R201 S202R194-E198 IonicContact NH1-OE1 3Å; R194-E198 PolarHBondContact NH1-OE1 2.82Å; R194-E198 VanDerWaalsContact NH1-OE1 3.13Å; R194-E198 WeakPolarHBondContact O-CG 3.41Å; R194-E198 PolarHBondContact O-N 2.74Å; V195-E198 PolarHBondContact O-N 3Å; E198-R201 PolarHBondContact O-N 2.85Å; E198-S202 PolarHBondContact O-N 2.94Å
199L75.3Confident78.2Confident94 Ų9490.3 Ų90.349%0.49244%0.435SS..Hα-helixtrans-64.4-41.9177.2-173.366.5000112V195 Q196 R201 S202 R203 I291V195-L199 WeakPolarHBondContact O-CB 3.42Å; V195-L199 PolarHBondContact O-N 2.8Å; Q196-L199 PolarHBondContact O-N 2.83Å; L199-R201 PolarHBondContact O-N 3.24Å; L199-S202 PolarHBondContact O-N 2.81Å; L199-R203 WeakPolarHBondContact O-CB 3.46Å; L199-R203 PolarHBondContact O-N 3.03Å; L199-I291 HydrophobicContact CD1-CD1 3.47Å; L199-I291 VanDerWaalsContact CD1-CD1 3.47Å
200A75.4Confident77.9Confident57 Ų5792.5 Ų92.547%0.47144%0.442SS..Hα-helixtrans-63.7-40.3177.700000111.8Q196 R203 K204Q196-A200 VanDerWaalsContact O-CB 3.27Å; Q196-A200 WeakPolarHBondContact O-CB 3.47Å; Q196-A200 PolarHBondContact O-N 3.47Å; A200-R203 PolarHBondContact O-N 3.36Å; A200-K204 WeakPolarHBondContact O-CB 3.45Å; A200-K204 PolarHBondContact O-N 3.28Å
201R77.7Confident77.5Confident159 Ų15990 Ų9060%0.644%0.44SS*.Hα-helixtrans-64.1-46.1174.5-78.1179.5-75.1-153.82111.9D197 E198 L199 K204 F205D197-R201 WeakPolarHBondContact O-CB 3.48Å; D197-R201 WeakPolarHBondContact O-CG 3.12Å; D197-R201 PolarHBondContact O-N 3.35Å; D197-R201 VanDerWaalsContact O-N 3.07Å; D197-R201 PolarHBondContact O-NE 2.81Å; D197-R201 VanDerWaalsContact O-NE 3.09Å; E198-R201 PolarHBondContact O-N 2.85Å; L199-R201 PolarHBondContact O-N 3.24Å; R201-K204 PolarHBondContact O-N 3.12Å; R201-F205 PolarHBondContact O-N 2.83Å
202S75.9Confident77.4Confident26 Ų2692 Ų9218%0.18245%0.449CS..Hα-helixtrans-61.2-45.7175.8169.20000111.6E198 L199 K204 F205 F206 I291E198-S202 PolarHBondContact O-N 2.94Å; L199-S202 PolarHBondContact O-N 2.81Å; S202-K204 PolarHBondContact O-N 2.87Å; S202-F205 PolarHBondContact O-N 2.8Å; S202-F206 PolarHBondContact O-N 3.39Å; S202-I291 PolarHBondContact OG-O 3.43Å
203R74.1Confident77.4Confident186 Ų18688 Ų8870%0.70243%0.43SS*.Hα-helixtrans-58.3-46.9175.8-177.1177.8174.9-175.9-0.5111.5L199 A200 F205 F206 T207L199-R203 WeakPolarHBondContact O-CB 3.46Å; L199-R203 PolarHBondContact O-N 3.03Å; A200-R203 PolarHBondContact O-N 3.36Å; R203-F205 VanDerWaalsContact C-N 3.33Å; R203-F205 PolarHBondContact O-N 2.99Å; R203-F206 PolarHBondContact O-N 3.4Å; R203-T207 HydrophobicContact CG-CG2 4.35Å; R203-T207 WeakPolarHBondContact O-CG2 3.19Å; R203-T207 PolarHBondContact O-N 3.23Å; R203-T207 PolarHBondContact O-OG1 3.49Å
204K73.4Confident77.2Confident165 Ų16587.3 Ų87.372%0.71743%0.434SS*.Hα-helixtrans-60.8-42.7179.6-171.4177.6-178.9-179.80111.7A200 R201 S202 T207 G208A200-K204 WeakPolarHBondContact O-CB 3.45Å; A200-K204 PolarHBondContact O-N 3.28Å; R201-K204 PolarHBondContact O-N 3.12Å; S202-K204 PolarHBondContact O-N 2.87Å; K204-T207 WeakPolarHBondContact CA-OG1 3.11Å; K204-T207 PolarHBondContact O-OG1 3.37Å; K204-G208 PolarHBondContact O-N 3.26Å
205F75.1Confident77.1Confident153 Ų15388.6 Ų88.667%0.67144%0.442SS*.Hα-helixtrans-61.7-50.4175.7-177.6-95.8000111.4R201 S202 R203 T207 G208 S209R201-F205 PolarHBondContact O-N 2.83Å; S202-F205 PolarHBondContact O-N 2.8Å; R203-F205 VanDerWaalsContact C-N 3.33Å; R203-F205 PolarHBondContact O-N 2.99Å; F205-T207 PolarHBondContact O-N 2.8Å; F205-G208 PolarHBondContact O-N 3.33Å; F205-G208 VanDerWaalsContact O-N 3.12Å; F205-S209 PolarHBondContact O-N 3.17Å; F205-S209 PolarHBondContact O-OG 2.86Å
206F72.2Confident77.1Confident39 Ų3987.2 Ų87.217%0.17144%0.436CS..Hα-helixtrans-62.3-43.8-179.6-174.4-101000112.8S202 R203 G208 S209 L210 L280 A294S202-F206 PolarHBondContact O-N 3.39Å; R203-F206 PolarHBondContact O-N 3.4Å; F206-G208 VanDerWaalsContact C-N 3.27Å; F206-G208 PolarHBondContact O-N 2.96Å; F206-S209 PolarHBondContact O-N 2.81Å; F206-L210 HydrophobicContact CD1-CD1 3.85Å; F206-L210 HydrophobicContact CD1-CG 4.38Å; F206-L210 HydrophobicContact CE1-CD1 3.39Å; F206-L210 HydrophobicContact CE1-CG 3.99Å; F206-L210 HydrophobicContact CZ-CD1 4.07Å; F206-L210 HydrophobicContact CZ-CG 4.25Å; F206-L210 PolarHBondContact O-N 3.08Å; F206-L280 HydrophobicContact CE1-CD1 4.05Å; F206-L280 HydrophobicContact CE2-CD1 3.9Å; F206-L280 HydrophobicContact CZ-CD1 3.44Å; F206-L280 VanDerWaalsContact CZ-CD1 3.44Å; F206-A294 HydrophobicContact CE2-CB 4.09Å
207T74.6Confident77.3Confident68 Ų6884 Ų8442%0.41742%0.422SS..Hα-helixtrans-64.3-33175.252.10000112.4R203 K204 F205 A211R203-T207 HydrophobicContact CG-CG2 4.35Å; R203-T207 WeakPolarHBondContact O-CG2 3.19Å; R203-T207 PolarHBondContact O-N 3.23Å; R203-T207 PolarHBondContact O-OG1 3.49Å; K204-T207 WeakPolarHBondContact CA-OG1 3.11Å; K204-T207 PolarHBondContact O-OG1 3.37Å; F205-T207 PolarHBondContact O-N 2.8Å; T207-A211 WeakPolarHBondContact O-CB 3.47Å; T207-A211 PolarHBondContact O-N 2.94Å
208G78.7Confident77.1Confident32 Ų3282.2 Ų82.233%0.3342%0.417SS..Hα-helixtrans-64.3-47.8173.800000111.7K204 F205 F206 L210 A211 E212K204-G208 PolarHBondContact O-N 3.26Å; F205-G208 PolarHBondContact O-N 3.33Å; F205-G208 VanDerWaalsContact O-N 3.12Å; F206-G208 VanDerWaalsContact C-N 3.27Å; F206-G208 PolarHBondContact O-N 2.96Å; G208-L210 VanDerWaalsContact C-N 3.33Å; G208-L210 PolarHBondContact O-N 3.49Å; G208-A211 PolarHBondContact O-N 2.92Å; G208-E212 PolarHBondContact O-N 3.34Å
209S77Confident77.3Confident29 Ų2983.4 Ų83.420%0.20342%0.422CS..Hα-helixtrans-63.6-35.6176.7-59.60000113.2F205 F206 E212 V213F205-S209 PolarHBondContact O-N 3.17Å; F205-S209 PolarHBondContact O-OG 2.86Å; F206-S209 PolarHBondContact O-N 2.81Å; S209-E212 PolarHBondContact O-N 3.03Å; S209-V213 WeakPolarHBondContact O-CG2 3.37Å; S209-V213 PolarHBondContact O-N 3.47Å
210L76.3Confident77.6Confident63 Ų6380.8 Ų80.833%0.3341%0.41SS..Hα-helixtrans-63.9-46.1172.7-81.3175.5000112F206 G208 E212 V213 E214 V278F206-L210 HydrophobicContact CD1-CD1 3.85Å; F206-L210 HydrophobicContact CD1-CG 4.38Å; F206-L210 HydrophobicContact CE1-CD1 3.39Å; F206-L210 HydrophobicContact CE1-CG 3.99Å; F206-L210 HydrophobicContact CZ-CD1 4.07Å; F206-L210 HydrophobicContact CZ-CG 4.25Å; F206-L210 PolarHBondContact O-N 3.08Å; G208-L210 VanDerWaalsContact C-N 3.33Å; G208-L210 PolarHBondContact O-N 3.49Å; L210-E212 VanDerWaalsContact C-N 3.27Å; L210-E212 PolarHBondContact O-N 2.81Å; L210-V213 PolarHBondContact O-N 2.77Å; L210-V213 VanDerWaalsContact O-N 3.15Å; L210-E214 WeakPolarHBondContact O-CB 3.39Å; L210-E214 PolarHBondContact O-N 2.9Å; L210-V278 HydrophobicContact CD2-CB 4.19Å; L210-V278 HydrophobicContact CD2-CG1 3.75Å; L210-V278 HydrophobicContact CD2-CG2 4.12Å
211A78.8Confident77.7Confident53 Ų5381.8 Ų81.844%0.43841%0.41SS..Hα-helixtrans-62.4-34.7178.900000112.2T207 G208 K215T207-A211 WeakPolarHBondContact O-CB 3.47Å; T207-A211 PolarHBondContact O-N 2.94Å; G208-A211 PolarHBondContact O-N 2.92Å; A211-K215 VanDerWaalsContact O-CB 3.31Å; A211-K215 WeakPolarHBondContact O-CB 3.36Å; A211-K215 PolarHBondContact O-N 3.35Å
212E80.6Confident77.8Confident123 Ų12381 Ų8158%0.57541%0.413SS*.Hα-helixtrans-64.4-42173.5-73.5177-178.300112.6G208 S209 L210 S216G208-E212 PolarHBondContact O-N 3.34Å; S209-E212 PolarHBondContact O-N 3.03Å; L210-E212 VanDerWaalsContact C-N 3.27Å; L210-E212 PolarHBondContact O-N 2.81Å; E212-S216 PolarHBondContact O-N 3.31Å
213V79.1Confident78Confident4 Ų485.7 Ų85.72%0.02443%0.432CS..Hα-helixtrans-68.2-44.1177175.60000110.8S209 L210 K215 S216 N217 Q276 V278 K296S209-V213 WeakPolarHBondContact O-CG2 3.37Å; S209-V213 PolarHBondContact O-N 3.47Å; L210-V213 PolarHBondContact O-N 2.77Å; L210-V213 VanDerWaalsContact O-N 3.15Å; V213-K215 VanDerWaalsContact C-N 3.31Å; V213-K215 PolarHBondContact O-N 2.95Å; V213-S216 PolarHBondContact O-N 2.79Å; V213-N217 PolarHBondContact O-N 2.78Å; V213-Q276 HydrophobicContact CG1-CB 3.98Å; V213-V278 HydrophobicContact CB-CG2 4.15Å; V213-V278 HydrophobicContact CG1-CG2 3.67Å; V213-V278 HydrophobicContact CG2-CG2 4.3Å; V213-K296 HydrophobicContact CG2-CD 4.19Å; V213-K296 HydrophobicContact CG2-CG 4.2Å
214E76.3Confident78.1Confident134 Ų13478.6 Ų78.663%0.62641%0.407SS*.Hα-helixtrans-59.2-42.9176.6-175176.4-163.200111.5L210 N217 S218L210-E214 WeakPolarHBondContact O-CB 3.39Å; L210-E214 PolarHBondContact O-N 2.9Å; E214-N217 PolarHBondContact O-N 3.15Å; E214-S218 WeakPolarHBondContact O-CB 3.36Å; E214-S218 PolarHBondContact O-N 2.86Å; E214-S218 PolarHBondContact O-OG 2.97Å
215K82.8Confident78.3Confident140 Ų14073.5 Ų73.561%0.60939%0.392SS*.Hα-helixtrans-61.6-45.4174.9-174.4-179.7179.5-176.80111.8A211 V213 S218 Q219A211-K215 VanDerWaalsContact O-CB 3.31Å; A211-K215 WeakPolarHBondContact O-CB 3.36Å; A211-K215 PolarHBondContact O-N 3.35Å; V213-K215 VanDerWaalsContact C-N 3.31Å; V213-K215 PolarHBondContact O-N 2.95Å; K215-S218 PolarHBondContact O-N 3.42Å; K215-Q219 WeakPolarHBondContact O-CG 3.27Å; K215-Q219 PolarHBondContact O-N 3.47Å
216S78.1Confident78.5Confident42 Ų4273.7 Ų73.729%0.29439%0.39SS..Hα-helixtrans-63.8-42.4178.8-167.60000112.1E212 V213 V220E212-S216 PolarHBondContact O-N 3.31Å; V213-S216 PolarHBondContact O-N 2.79Å; S216-V220 WeakPolarHBondContact O-CG2 3.43Å; S216-V220 PolarHBondContact O-N 3.34Å
217N81.8Confident78.8Confident36 Ų3675.3 Ų75.319%0.19340%0.4CS..Hα-helixtrans-67.7-38.7177.3-75-9.9000111.5V213 E214 Q219 V220 V221 L275 Q276V213-N217 PolarHBondContact O-N 2.78Å; E214-N217 PolarHBondContact O-N 3.15Å; N217-Q219 PolarHBondContact O-N 3.25Å; N217-V220 PolarHBondContact O-N 2.94Å; N217-V221 WeakPolarHBondContact O-CG2 3.39Å; N217-V221 PolarHBondContact O-N 3.03Å; N217-V221 VanDerWaalsContact O-N 3.07Å; N217-L275 HydrophobicContact CB-CD2 4.32Å; N217-Q276 PolarHBondContact ND2-O 3.44Å; N217-Q276 PolarHBondContact OD1-N 3.05Å
218S77.1Confident78.7Confident56 Ų5675.7 Ų75.739%0.39240%0.399SS..Hα-helixtrans-63.7-40.8178-58.10000111.9E214 K215 V221 E222E214-S218 WeakPolarHBondContact O-CB 3.36Å; E214-S218 PolarHBondContact O-N 2.86Å; E214-S218 PolarHBondContact O-OG 2.97Å; K215-S218 PolarHBondContact O-N 3.42Å; S218-V221 PolarHBondContact O-N 3.05Å; S218-E222 WeakPolarHBondContact O-CG 3.32Å; S218-E222 PolarHBondContact O-N 2.84Å
219Q83.5Confident78.7Confident92 Ų9278 Ų7843%0.4340%0.404SS..Hα-helixtrans-60-45.9175-75.1176.8-27.200112K215 N217 V221 E222 E223K215-Q219 WeakPolarHBondContact O-CG 3.27Å; K215-Q219 PolarHBondContact O-N 3.47Å; N217-Q219 PolarHBondContact O-N 3.25Å; Q219-V221 VanDerWaalsContact C-N 3.3Å; Q219-V221 PolarHBondContact O-N 3.18Å; Q219-E222 PolarHBondContact O-N 3.48Å; Q219-E223 WeakPolarHBondContact O-CG 2.79Å; Q219-E223 PolarHBondContact O-N 2.83Å
220V81.1Confident78.8Confident40 Ų4079.6 Ų79.624%0.24241%0.409CS..Hα-helixtrans-60.4-42177.3173.80000111S216 N217 Q224 L273 L275S216-V220 WeakPolarHBondContact O-CG2 3.43Å; S216-V220 PolarHBondContact O-N 3.34Å; N217-V220 PolarHBondContact O-N 2.94Å; V220-Q224 WeakPolarHBondContact O-CG 3.46Å; V220-Q224 PolarHBondContact O-N 3.23Å; V220-Q224 VanDerWaalsContact O-N 3.15Å; V220-L273 HydrophobicContact CG1-CD2 3.98Å; V220-L275 HydrophobicContact CB-CD2 4.46Å; V220-L275 HydrophobicContact CG1-CD2 4.21Å
221V76.6Confident78.7Confident78 Ų7877.3 Ų77.347%0.47340%0.399SS..Hα-helixtrans-67.6-41.4178.3173.80000111.9N217 S218 Q219 Q224 S225 L275N217-V221 WeakPolarHBondContact O-CG2 3.39Å; N217-V221 PolarHBondContact O-N 3.03Å; N217-V221 VanDerWaalsContact O-N 3.07Å; S218-V221 PolarHBondContact O-N 3.05Å; Q219-V221 VanDerWaalsContact C-N 3.3Å; Q219-V221 PolarHBondContact O-N 3.18Å; V221-Q224 PolarHBondContact O-N 3.41Å; V221-S225 WeakPolarHBondContact O-CB 3.34Å; V221-S225 PolarHBondContact O-N 3.3Å; V221-L275 HydrophobicContact CG2-CD2 4.31Å
222E80.4Confident78.6Confident141 Ų14180.5 Ų80.566%0.65941%0.405SS*.Hα-helixtrans-63.2-43.8176.7-78.8179.9175.400112.1S218 Q219 Q224 S225 Y226S218-E222 WeakPolarHBondContact O-CG 3.32Å; S218-E222 PolarHBondContact O-N 2.84Å; Q219-E222 PolarHBondContact O-N 3.48Å; E222-Q224 VanDerWaalsContact C-N 3.32Å; E222-Q224 PolarHBondContact O-N 3.47Å; E222-S225 PolarHBondContact O-N 3.02Å; E222-Y226 WeakPolarHBondContact O-CB 3.1Å; E222-Y226 PolarHBondContact O-N 2.86Å
223E80.6Confident78.6Confident125 Ų12579.5 Ų79.558%0.58441%0.407SS*.Hα-helixtrans-59.8-41.9175.7-74.3175.8-178.300111.6Q219 Y226 L227Q219-E223 WeakPolarHBondContact O-CG 2.79Å; Q219-E223 PolarHBondContact O-N 2.83Å; E223-Y226 PolarHBondContact O-N 2.73Å; E223-L227 WeakPolarHBondContact O-CG 3.28Å; E223-L227 PolarHBondContact O-N 2.9Å
224Q76.9Confident78.5Confident37 Ų3783.9 Ų83.917%0.17343%0.428CS..Hα-helixtrans-69.9-39.4177.1-67.6-51.3-42.500113.1V220 V221 E222 Y226 L227 L228 L273V220-Q224 WeakPolarHBondContact O-CG 3.46Å; V220-Q224 PolarHBondContact O-N 3.23Å; V220-Q224 VanDerWaalsContact O-N 3.15Å; V221-Q224 PolarHBondContact O-N 3.41Å; E222-Q224 VanDerWaalsContact C-N 3.32Å; E222-Q224 PolarHBondContact O-N 3.47Å; Q224-Y226 VanDerWaalsContact C-N 3.28Å; Q224-Y226 PolarHBondContact O-N 2.92Å; Q224-L227 PolarHBondContact O-N 3.15Å; Q224-L228 PolarHBondContact O-N 3.24Å; Q224-L273 HydrophobicContact CB-CD2 4.46Å; Q224-L273 HydrophobicContact CG-CD2 3.64Å; Q224-L273 HydrophobicContact CG-CG 4.47Å
225S76.5Confident78.4Confident58 Ų5879.2 Ų79.241%0.40641%0.412SS..Hα-helixtrans-59.7-41.1173.7-178.40000111.3V221 E222 L227 L228 N229V221-S225 WeakPolarHBondContact O-CB 3.34Å; V221-S225 PolarHBondContact O-N 3.3Å; E222-S225 PolarHBondContact O-N 3.02Å; S225-L227 PolarHBondContact O-N 3.24Å; S225-L228 PolarHBondContact O-N 2.96Å; S225-N229 VanDerWaalsContact O-CG 3.23Å; S225-N229 PolarHBondContact O-N 2.85Å; S225-N229 PolarHBondContact O-ND2 2.91Å; S225-N229 VanDerWaalsContact O-ND2 3.08Å
226Y79.4Confident78.2Confident157 Ų15776.2 Ų76.262%0.61641%0.405SS*.Hα-helixtrans-62.2-43.5176.8-177.6-103.5000112.7E222 E223 Q224 N229 I230E222-Y226 WeakPolarHBondContact O-CB 3.1Å; E222-Y226 PolarHBondContact O-N 2.86Å; E223-Y226 PolarHBondContact O-N 2.73Å; Q224-Y226 VanDerWaalsContact C-N 3.28Å; Q224-Y226 PolarHBondContact O-N 2.92Å; Y226-N229 PolarHBondContact O-N 2.83Å; Y226-I230 HydrophobicContact CD1-CD1 3.74Å; Y226-I230 HydrophobicContact CE1-CD1 3.28Å; Y226-I230 HydrophobicContact CE1-CG1 4.34Å; Y226-I230 HydrophobicContact CE2-CD1 4.47Å; Y226-I230 HydrophobicContact CG-CD1 4.5Å; Y226-I230 WeakPolarHBondContact O-CG1 3.27Å; Y226-I230 PolarHBondContact O-N 3.21Å; Y226-I230 VanDerWaalsContact O-N 3.15Å
227L78.1Confident78.2Confident73 Ų7378 Ų7838%0.38242%0.417SS..Hα-helixtrans-64.6-40.5176.5-69173.1000112.4E223 Q224 S225 I230 A231E223-L227 WeakPolarHBondContact O-CG 3.28Å; E223-L227 PolarHBondContact O-N 2.9Å; Q224-L227 PolarHBondContact O-N 3.15Å; S225-L227 PolarHBondContact O-N 3.24Å; L227-I230 PolarHBondContact O-N 2.91Å; L227-A231 PolarHBondContact O-N 2.95Å; L227-A231 VanDerWaalsContact O-N 3.09Å
228L74Confident78Confident76 Ų7679.3 Ų79.340%0.39842%0.419SS..Hα-helixtrans-62.4-43.7175.6-78.9165.1000112Q224 S225 I230 A231 E232 L269Q224-L228 PolarHBondContact O-N 3.24Å; S225-L228 PolarHBondContact O-N 2.96Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 2.89Å; L228-A231 PolarHBondContact O-N 3.39Å; L228-E232 WeakPolarHBondContact O-CB 3.34Å; L228-E232 PolarHBondContact O-N 2.8Å; L228-L269 HydrophobicContact CD2-CD1 4.41Å; L228-L269 HydrophobicContact CD2-CD2 3.76Å; L228-L269 HydrophobicContact CG-CD2 4.22Å
229N76.6Confident78Confident81 Ų8180.1 Ų80.143%0.43343%0.425SS..Hα-helixtrans-62.7-37.3177.5-67.8-33000112S225 Y226 E232 V233S225-N229 VanDerWaalsContact O-CG 3.23Å; S225-N229 PolarHBondContact O-N 2.85Å; S225-N229 PolarHBondContact O-ND2 2.91Å; S225-N229 VanDerWaalsContact O-ND2 3.08Å; Y226-N229 PolarHBondContact O-N 2.83Å; N229-E232 PolarHBondContact O-N 3.11Å; N229-V233 WeakPolarHBondContact O-CG2 3.44Å; N229-V233 PolarHBondContact O-N 2.89Å
230I79.4Confident77.8Confident63 Ų6380.3 Ų80.332%0.32343%0.428SS..Hα-helixtrans-63.8-46.1174.8-68.2163000110.5Y226 L227 L228 E232 V233 Q234Y226-I230 HydrophobicContact CD1-CD1 3.74Å; Y226-I230 HydrophobicContact CE1-CD1 3.28Å; Y226-I230 HydrophobicContact CE1-CG1 4.34Å; Y226-I230 HydrophobicContact CE2-CD1 4.47Å; Y226-I230 HydrophobicContact CG-CD1 4.5Å; Y226-I230 WeakPolarHBondContact O-CG1 3.27Å; Y226-I230 PolarHBondContact O-N 3.21Å; Y226-I230 VanDerWaalsContact O-N 3.15Å; L227-I230 PolarHBondContact O-N 2.91Å; L228-I230 VanDerWaalsContact C-N 3.31Å; L228-I230 PolarHBondContact O-N 2.89Å; I230-E232 VanDerWaalsContact C-N 3.32Å; I230-E232 PolarHBondContact O-N 3.42Å; I230-V233 PolarHBondContact O-N 3.33Å; I230-Q234 HydrophobicContact CG2-CG 4.49Å; I230-Q234 WeakPolarHBondContact O-CG 3.4Å; I230-Q234 PolarHBondContact O-N 3.4Å
231A75.1Confident77.7Confident14 Ų1482.2 Ų82.212%0.11643%0.432CS..Hα-helixtrans-63-39.2178.600000111.9L227 L228 Q234 A235 L269L227-A231 PolarHBondContact O-N 2.95Å; L227-A231 VanDerWaalsContact O-N 3.09Å; L228-A231 PolarHBondContact O-N 3.39Å; A231-Q234 PolarHBondContact O-N 2.96Å; A231-A235 WeakPolarHBondContact O-CB 3.47Å; A231-A235 PolarHBondContact O-N 3.11Å; A231-L269 HydrophobicContact CB-CD1 4.18Å; A231-L269 HydrophobicContact CB-CD2 4.2Å; A231-L269 HydrophobicContact CB-CG 4.43Å
232E76.9Confident77.7Confident120 Ų12082.6 Ų82.656%0.56143%0.427SS*.Hα-helixtrans-60.4-48.5174.8-175.3178-169.500111.5L228 N229 I230 Q234 A235 V236L228-E232 WeakPolarHBondContact O-CB 3.34Å; L228-E232 PolarHBondContact O-N 2.8Å; N229-E232 PolarHBondContact O-N 3.11Å; I230-E232 VanDerWaalsContact C-N 3.32Å; I230-E232 PolarHBondContact O-N 3.42Å; E232-Q234 VanDerWaalsContact C-N 3.33Å; E232-Q234 PolarHBondContact O-N 3.45Å; E232-A235 PolarHBondContact O-N 3.3Å; E232-V236 WeakPolarHBondContact O-CG2 3.38Å; E232-V236 PolarHBondContact O-N 3.37Å
233V79.8Confident77.5Confident102 Ų10280.2 Ų80.262%0.61842%0.419SS*.Hα-helixtrans-62.2-40.6177.9172.10000111.6N229 I230 V236 S237N229-V233 WeakPolarHBondContact O-CG2 3.44Å; N229-V233 PolarHBondContact O-N 2.89Å; I230-V233 PolarHBondContact O-N 3.33Å; V233-V236 PolarHBondContact O-N 3.34Å; V233-S237 WeakPolarHBondContact O-CB 3.38Å; V233-S237 PolarHBondContact O-N 3.2Å
234Q77.8Confident77.3Confident97 Ų9777 Ų7745%0.45341%0.413SS..Hα-helixtrans-63.3-41.9175.9-73.5177.6-8.300112I230 A231 E232 R238 L265I230-Q234 HydrophobicContact CG2-CG 4.49Å; I230-Q234 WeakPolarHBondContact O-CG 3.4Å; I230-Q234 PolarHBondContact O-N 3.4Å; A231-Q234 PolarHBondContact O-N 2.96Å; E232-Q234 VanDerWaalsContact C-N 3.33Å; E232-Q234 PolarHBondContact O-N 3.45Å; Q234-R238 WeakPolarHBondContact O-CB 3.31Å; Q234-R238 PolarHBondContact O-N 3.03Å; Q234-R238 VanDerWaalsContact O-N 3.1Å; Q234-L265 HydrophobicContact CB-CD2 3.96Å
235A74.3Confident77.2Confident36 Ų3677 Ų7730%0.29841%0.413SS..Hα-helixtrans-64-48.5176.800000111.5A231 E232 S237 R238 C239A231-A235 WeakPolarHBondContact O-CB 3.47Å; A231-A235 PolarHBondContact O-N 3.11Å; E232-A235 PolarHBondContact O-N 3.3Å; A235-S237 PolarHBondContact O-N 2.85Å; A235-R238 PolarHBondContact O-N 2.77Å; A235-R238 VanDerWaalsContact O-N 3.16Å; A235-C239 PolarHBondContact O-N 2.72Å; A235-C239 PolarHBondContact O-SG 2.76Å; A235-C239 VanDerWaalsContact O-SG 3.33Å
236V77.4Confident77.1Confident77 Ų7780.1 Ų80.147%0.46742%0.424SS..Hα-helixtrans-59.4-48177.8172.60000111E232 V233 R238 C239 D240E232-V236 WeakPolarHBondContact O-CG2 3.38Å; E232-V236 PolarHBondContact O-N 3.37Å; V233-V236 PolarHBondContact O-N 3.34Å; V236-R238 PolarHBondContact O-N 2.74Å; V236-C239 WeakPolarHBondContact O-CB 3.33Å; V236-C239 PolarHBondContact O-N 3.11Å; V236-D240 PolarHBondContact O-N 2.75Å
237S78.4Confident76.9Confident78 Ų7881 Ų8155%0.54543%0.431SS..Hα-helixtrans-59.4-34178.21800000112.6V233 A235 Y241V233-S237 WeakPolarHBondContact O-CB 3.38Å; V233-S237 PolarHBondContact O-N 3.2Å; A235-S237 PolarHBondContact O-N 2.85Å; S237-Y241 PolarHBondContact O-N 2.96Å
238R79Confident76.9Confident64 Ų6481.3 Ų81.324%0.24243%0.43CS..Hα-helixtrans-79.7-35.4178.4-166.762.2177.6171.9-2.2112.1Q234 A235 V236 D240 Y241 F242 E260Q234-R238 WeakPolarHBondContact O-CB 3.31Å; Q234-R238 PolarHBondContact O-N 3.03Å; Q234-R238 VanDerWaalsContact O-N 3.1Å; A235-R238 PolarHBondContact O-N 2.77Å; A235-R238 VanDerWaalsContact O-N 3.16Å; V236-R238 PolarHBondContact O-N 2.74Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 PolarHBondContact O-N 2.98Å; R238-Y241 VanDerWaalsContact CZ-CD1 3.45Å; R238-Y241 VanDerWaalsContact CZ-CE1 3.46Å; R238-Y241 WeakPolarHBondContact O-CB 3.32Å; R238-Y241 PolarHBondContact O-N 3.36Å; R238-F242 HydrophobicContact CG-CD2 4.02Å; R238-F242 HydrophobicContact CG-CE2 3.63Å; R238-F242 HydrophobicContact CG-CZ 4.29Å; R238-F242 VanDerWaalsContact O-CD2 3.32Å; R238-F242 WeakPolarHBondContact O-CD2 2.78Å; R238-F242 PolarHBondContact O-N 3.42Å; R238-E260 IonicContact CZ-OE2 2.68Å; R238-E260 IonicContact NH1-OE2 2.8Å; R238-E260 IonicContact NH2-OE2 3.78Å; R238-E260 PolarHBondContact NH2-OE2 3.23Å
239C76.8Confident76.6Confident74 Ų7481.2 Ų81.250%0.544%0.44SS..Hα-helixtrans-57.4-44.2169.1-71.30000111.2A235 V236 Y241 F242 L243A235-C239 PolarHBondContact O-N 2.72Å; A235-C239 PolarHBondContact O-SG 2.76Å; A235-C239 VanDerWaalsContact O-SG 3.33Å; V236-C239 WeakPolarHBondContact O-CB 3.33Å; V236-C239 PolarHBondContact O-N 3.11Å; C239-Y241 VanDerWaalsContact C-N 3.35Å; C239-Y241 PolarHBondContact O-N 2.81Å; C239-F242 PolarHBondContact O-N 3.23Å; C239-L243 WeakPolarHBondContact O-CB 3.12Å; C239-L243 WeakPolarHBondContact O-CG 3.41Å; C239-L243 PolarHBondContact O-N 3.32Å
240D78.9Confident76.4Confident95 Ų9583.7 Ų83.751%0.50845%0.453SS..Hα-helixtrans-62.9-40.4176.5-73-22.4000112.3V236 R238 L243 A244V236-D240 PolarHBondContact O-N 2.75Å; R238-D240 VanDerWaalsContact C-N 3.29Å; R238-D240 PolarHBondContact O-N 2.98Å; D240-L243 PolarHBondContact O-N 2.84Å; D240-A244 WeakPolarHBondContact O-CB 3.36Å; D240-A244 PolarHBondContact O-N 3.15Å
241Y78.7Confident75.7Confident80 Ų8085.7 Ų85.731%0.31447%0.468SS..Hα-helixtrans-60-48.1173.5174.2-94.4000112.1S237 R238 C239 A244 K245S237-Y241 PolarHBondContact O-N 2.96Å; R238-Y241 VanDerWaalsContact CZ-CD1 3.45Å; R238-Y241 VanDerWaalsContact CZ-CE1 3.46Å; R238-Y241 WeakPolarHBondContact O-CB 3.32Å; R238-Y241 PolarHBondContact O-N 3.36Å; C239-Y241 VanDerWaalsContact C-N 3.35Å; C239-Y241 PolarHBondContact O-N 2.81Å; Y241-A244 WeakPolarHBondContact O-CB 3.3Å; Y241-A244 PolarHBondContact O-N 3.18Å; Y241-K245 HydrophobicContact CD1-CG 4.42Å; Y241-K245 HydrophobicContact CE1-CG 4Å; Y241-K245 PolarHBondContact O-N 3.31Å; Y241-K245 WeakPolarHBondContact OH-CE 3.44Å
242F75.8Confident75.2Confident87 Ų8787 Ų8738%0.38248%0.479SS..Hα-helixtrans-67-38178.8-72.2-49000112.3R238 C239 A244 K245 I246R238-F242 HydrophobicContact CG-CD2 4.02Å; R238-F242 HydrophobicContact CG-CE2 3.63Å; R238-F242 HydrophobicContact CG-CZ 4.29Å; R238-F242 VanDerWaalsContact O-CD2 3.32Å; R238-F242 WeakPolarHBondContact O-CD2 2.78Å; R238-F242 PolarHBondContact O-N 3.42Å; C239-F242 PolarHBondContact O-N 3.23Å; F242-A244 VanDerWaalsContact C-N 3.27Å; F242-A244 PolarHBondContact O-N 3.4Å; F242-K245 PolarHBondContact O-N 2.82Å; F242-I246 VanDerWaalsContact O-CG1 3.28Å; F242-I246 WeakPolarHBondContact O-CG1 3.4Å; F242-I246 PolarHBondContact O-N 3.26Å
243L76.9Confident74.6Confident91 Ų9185.5 Ų85.548%0.47647%0.474SS..Hα-helixtrans-61.1-36.3172.4-77.8167.5000112.2C239 D240 K247C239-L243 WeakPolarHBondContact O-CB 3.12Å; C239-L243 WeakPolarHBondContact O-CG 3.41Å; C239-L243 PolarHBondContact O-N 3.32Å; D240-L243 PolarHBondContact O-N 2.84Å; L243-K247 WeakPolarHBondContact O-CG 3.41Å; L243-K247 PolarHBondContact O-N 3.12Å
244A77Confident73.8Confident57 Ų5787.8 Ų87.847%0.47148%0.483SS..Hα-helixtrans-68.7-38.5174.300000112.1D240 Y241 F242 K247D240-A244 WeakPolarHBondContact O-CB 3.36Å; D240-A244 PolarHBondContact O-N 3.15Å; Y241-A244 WeakPolarHBondContact O-CB 3.3Å; Y241-A244 PolarHBondContact O-N 3.18Å; F242-A244 VanDerWaalsContact C-N 3.27Å; F242-A244 PolarHBondContact O-N 3.4Å; A244-K247 PolarHBondContact O-N 3.4Å
245K75.3Confident73.1Confident37 Ų3790.8 Ų90.816%0.16150%0.496CS..Hα-helixtrans-65.4-44.1175.3-76.3-75.9-175.7168.40112.6Y241 F242 K247 Q248 L253 E256Y241-K245 HydrophobicContact CD1-CG 4.42Å; Y241-K245 HydrophobicContact CE1-CG 4Å; Y241-K245 PolarHBondContact O-N 3.31Å; Y241-K245 WeakPolarHBondContact OH-CE 3.44Å; F242-K245 PolarHBondContact O-N 2.82Å; K245-K247 PolarHBondContact O-N 2.82Å; K245-K247 VanDerWaalsContact O-N 3.13Å; K245-Q248 WeakPolarHBondContact O-CB 3.13Å; K245-Q248 PolarHBondContact O-N 3.29Å; K245-L253 WeakPolarHBondContact O-CD1 3.17Å; K245-E256 IonicContact NZ-OE1 3.44Å; K245-E256 PolarHBondContact NZ-OE1 3.04Å; K245-E256 IonicContact NZ-OE2 2.65Å; K245-E256 PolarHBondContact NZ-OE2 2.87Å
246I73.1Confident72.4Confident123 Ų12394.4 Ų94.463%0.63151%0.507SS*.Hα-helixtrans-58.8-27.3177.6-69164.7000112.2F242 Q248F242-I246 VanDerWaalsContact O-CG1 3.28Å; F242-I246 WeakPolarHBondContact O-CG1 3.4Å; F242-I246 PolarHBondContact O-N 3.26Å; I246-Q248 VanDerWaalsContact C-N 3.33Å
247K75.8Confident71.3Confident176 Ų17696.9 Ų96.977%0.76552%0.523SS*.THydrogen-bonded Turntrans-83.7-1179.2-70.2174.5-178.5176.20114.3L243 A244 K245L243-K247 WeakPolarHBondContact O-CG 3.41Å; L243-K247 PolarHBondContact O-N 3.12Å; A244-K247 PolarHBondContact O-N 3.4Å; K245-K247 PolarHBondContact O-N 2.82Å; K245-K247 VanDerWaalsContact O-N 3.13Å
248Q77Confident70.2Confident80 Ų8098 Ų9837%0.37454%0.536SS..SBendtrans-77.3162177.6-66.1-174.4-3.500112.1K245 I246 L253K245-Q248 WeakPolarHBondContact O-CB 3.13Å; K245-Q248 PolarHBondContact O-N 3.29Å; I246-Q248 VanDerWaalsContact C-N 3.33Å; Q248-L253 HydrophobicContact CB-CD1 4.42Å
249A68.6Low69Low73 Ų73102.2 Ų102.260%0.60356%0.564SS**  trans-71.5143.6179.800000111.8V251 A252 L253A249-V251 PolarHBondContact O-N 3.21Å; A249-A252 WeakPolarHBondContact O-CB 3.38Å; A249-A252 PolarHBondContact O-N 2.84Å; A249-L253 PolarHBondContact O-N 2.83Å
250D73.6Confident68Low133 Ų133104.6 Ų104.671%0.71157%0.568SS**Hα-helixtrans-50.9-35-170.7-58.2-25.8000114.7L254D250-L254 WeakPolarHBondContact O-CD1 2.92Å; D250-L254 VanDerWaalsContact O-CG 3.31Å; D250-L254 WeakPolarHBondContact O-CG 3.44Å
251V64.6Low66.9Low106 Ų106109.3 Ų109.364%0.64259%0.587SS**Hα-helixtrans-70.4-38.7179.1-178.50000112A249 L253 L254 E255A249-V251 PolarHBondContact O-N 3.21Å; V251-L253 VanDerWaalsContact C-N 3.33Å; V251-L254 PolarHBondContact O-N 3.37Å; V251-E255 PolarHBondContact O-N 2.83Å
252A64.6Low65.9Low42 Ų42113.3 Ų113.335%0.34761%0.608SS.*Hα-helixtrans-72.5-28.5-179.400000112.5A249 L254A249-A252 WeakPolarHBondContact O-CB 3.38Å; A249-A252 PolarHBondContact O-N 2.84Å; A252-L254 VanDerWaalsContact C-N 3.3Å
253L64.1Low65Low87 Ų87113 Ų11346%0.45562%0.615SS.*Hα-helixtrans-72.7-23.6177.5-129.1141.5000112.5K245 Q248 A249 V251K245-L253 WeakPolarHBondContact O-CD1 3.17Å; Q248-L253 HydrophobicContact CB-CD1 4.42Å; A249-L253 PolarHBondContact O-N 2.83Å; V251-L253 VanDerWaalsContact C-N 3.33Å
254L63Low64.1Low151 Ų151116.1 Ų116.179%0.79163%0.627SS**Hα-helixtrans-95.2-15.2-176.8-68.5169.6000114.1D250 V251 A252D250-L254 WeakPolarHBondContact O-CD1 2.92Å; D250-L254 VanDerWaalsContact O-CG 3.31Å; D250-L254 WeakPolarHBondContact O-CG 3.44Å; V251-L254 PolarHBondContact O-N 3.37Å; A252-L254 VanDerWaalsContact C-N 3.3Å
255E62.1Low63.1Low159 Ų159116.3 Ų116.374%0.74362%0.62SS**SBendtrans-87.4-11179-74.5-175.216300113.5V251V251-E255 PolarHBondContact O-N 2.83Å
256E59.8Low62.1Low112 Ų112119.6 Ų119.652%0.52364%0.643SS.*SBendtrans-84123.3-179.8-73.6-174161.300112K245 A258K245-E256 IonicContact NZ-OE1 3.44Å; K245-E256 PolarHBondContact NZ-OE1 3.04Å; K245-E256 IonicContact NZ-OE2 2.65Å; K245-E256 PolarHBondContact NZ-OE2 2.87Å; E256-A258 PolarHBondContact O-N 2.88Å
257T54.8Low61.4Low129 Ų129117 Ų11779%0.79164%0.641SS**  trans-69.6124.8175.546.80000110.8D259T257-D259 PolarHBondContact O-N 3.12Å
258A54.9Low60.5Low101 Ų101112.8 Ų112.884%0.83563%0.633SS**SBendtrans-74.756.5-174.600000114.3E256E256-A258 PolarHBondContact O-N 2.88Å
259D53.1Low59.6Low154 Ų154111.4 Ų111.482%0.82463%0.628SS**  trans-123.865169.4-72-33.4000109.5T257T257-D259 PolarHBondContact O-N 3.12Å
260E56.5Low59Low124 Ų124110.6 Ų110.658%0.57962%0.617SS**  trans-110.4103.5156.9-72.1-156.9173.400107.5R238 E262R238-E260 IonicContact CZ-OE2 2.68Å; R238-E260 IonicContact NH1-OE2 2.8Å; R238-E260 IonicContact NH2-OE2 3.78Å; R238-E260 PolarHBondContact NH2-OE2 3.23Å; E260-E262 PolarHBondContact O-N 3.39Å
261E55.5Low58.3Low194 Ų194112.9 Ų112.991%0.90762%0.615SS**PPolyproline II helixtrans-54.6123170.8-78.1-177.7151.100109.1P263E261-P263 WeakPolarHBondContact O-CD 2.92Å
262E57.5Low57.9Low164 Ų164113.6 Ų113.677%0.76661%0.611SS**PPolyproline II helixtrans-61.9123.2171.1-83.1-174.7143.200108.8E260 E264E260-E262 PolarHBondContact O-N 3.39Å; E262-E264 PolarHBondContact O-N 2.98Å
263P57.2Low57.7Low80 Ų80112.7 Ų112.752%0.51960%0.601SS.*PPolyproline II helixtrans-64.8127.6169.725.9-30.1000107.9E261 L265E261-P263 WeakPolarHBondContact O-CD 2.92Å; P263-L265 PolarHBondContact O-N 2.98Å
264E57.3Low57.6Low156 Ų156112.8 Ų112.873%0.72961%0.605SS**  trans-65.884.2172.4-71.9-175.3155.400109.6E262 T266 A267E262-E264 PolarHBondContact O-N 2.98Å; E264-T266 PolarHBondContact O-N 3.05Å; E264-A267 HydrophobicContact CB-CB 3.61Å; E264-A267 WeakPolarHBondContact O-CB 3.44Å; E264-A267 PolarHBondContact O-N 3.41Å; E264-A267 WeakPolarHBondContact OE2-CB 3.32Å
265L57.1Low58.1Low62 Ų62107.6 Ų107.633%0.32558%0.578SS.*THydrogen-bonded Turntrans-56.6-23.1-179.4-72.9159.2000112.3Q234 P263Q234-L265 HydrophobicContact CB-CD2 3.96Å; P263-L265 PolarHBondContact O-N 2.98Å
266T54.8Low58.5Low106 Ų106102.9 Ų102.965%0.6556%0.556SS**THydrogen-bonded Turntrans-93.7-12.7179.454.70000114.6E264 S268 L269E264-T266 PolarHBondContact O-N 3.05Å; T266-S268 PolarHBondContact O-N 3.49Å; T266-L269 PolarHBondContact O-N 3.36Å
267A57.3Low58.4Low69 Ų69100.6 Ų100.657%0.5755%0.547SS*.THydrogen-bonded Turntrans-70.4-20.8-17500000113.4E264E264-A267 HydrophobicContact CB-CB 3.61Å; E264-A267 WeakPolarHBondContact O-CB 3.44Å; E264-A267 PolarHBondContact O-N 3.41Å; E264-A267 WeakPolarHBondContact OE2-CB 3.32Å
268S56.2Low58.5Low86 Ų8697.1 Ų97.160%0.60153%0.526SS*.THydrogen-bonded Turntrans-91.3-6.1178.963.70000114.3T266T266-S268 PolarHBondContact O-N 3.49Å
269L58.1Low58.6Low51 Ų5197 Ų9727%0.26751%0.508SS..SBendtrans-93.2120.3-178.7-70168.2000110.5L228 A231 T266L228-L269 HydrophobicContact CD2-CD1 4.41Å; L228-L269 HydrophobicContact CD2-CD2 3.76Å; L228-L269 HydrophobicContact CG-CD2 4.22Å; A231-L269 HydrophobicContact CB-CD1 4.18Å; A231-L269 HydrophobicContact CB-CD2 4.2Å; A231-L269 HydrophobicContact CB-CG 4.43Å; T266-L269 PolarHBondContact O-N 3.36Å
270P57.1Low58.7Low57 Ų5794.6 Ų94.637%0.3749%0.494SS..  trans-69.9134.5178.626.4-30.6000111.1
271R58.4Low58.6Low181 Ų18192.5 Ų92.568%0.68349%0.487SS*.SBendtrans-80.8-17.3-179.3-67-176.8178.3172-2113.9N302 M303 E304R271-N302 PolarHBondContact O-OD1 2.82Å; R271-M303 PolarHBondContact O-N 2.9Å; R271-E304 IonicContact NE-OE1 3.41Å
272E55.4Low58.6Low120 Ų12092.7 Ų92.756%0.56149%0.485SS*.EExtended strand (participates in β ladder)trans-131.7137.5-176.2-64.6-174.6174.200112.2V301E272-V301 WeakPolarHBondContact CA-O 3.29Å
273L60.6Low58.4Low24 Ų2488.4 Ų88.413%0.12647%0.469CS..EExtended strand (participates in β ladder)trans-109.2121.4179.4-96.4157.9000110.5V220 Q224 T300 V301 M303V220-L273 HydrophobicContact CG1-CD2 3.98Å; Q224-L273 HydrophobicContact CB-CD2 4.46Å; Q224-L273 HydrophobicContact CG-CD2 3.64Å; Q224-L273 HydrophobicContact CG-CG 4.47Å; L273-T300 CarbonylContact O-C 3.59Å; L273-T300 VanDerWaalsContact O-CA 3.24Å; L273-T300 WeakPolarHBondContact O-CA 3.3Å; L273-V301 HydrophobicContact CB-CB 4.24Å; L273-V301 PolarHBondContact N-O 2.94Å; L273-V301 PolarHBondContact O-N 2.91Å; L273-M303 HydrophobicContact CD1-CE 3.5Å; L273-M303 VanDerWaalsContact CD1-CE 3.5Å; L273-M303 HydrophobicContact CD1-CG 4.11Å; L273-M303 HydrophobicContact CD1-SD 3.61Å; L273-M303 HydrophobicContact CG-CE 4.35Å
274T63.7Low58Low89 Ų8988.2 Ų88.255%0.54648%0.482SS..EExtended strand (participates in β ladder)trans-94.5106.1173.940.70000111.4R299 T300T274-R299 CarbonylContact C-O 3.56Å; T274-R299 WeakPolarHBondContact CA-O 3.38Å; T274-T300 HydrophobicContact CG2-CG2 3.39Å
275L72.3Confident57.5Low42 Ų4286.7 Ų86.722%0.2248%0.475CS..EExtended strand (participates in β ladder)trans-106.8160.1174.9-62.2176.7000111N217 V220 V221 P298 R299 V301N217-L275 HydrophobicContact CB-CD2 4.32Å; V220-L275 HydrophobicContact CB-CD2 4.46Å; V220-L275 HydrophobicContact CG1-CD2 4.21Å; V221-L275 HydrophobicContact CG2-CD2 4.31Å; L275-P298 CarbonylContact O-C 3.56Å; L275-R299 PolarHBondContact N-O 3.44Å; L275-R299 PolarHBondContact O-N 2.85Å; L275-V301 HydrophobicContact CD1-CG2 4.48Å
276Q71.1Confident56.9Low60 Ų6091.7 Ų91.728%0.2851%0.507SS..EExtended strand (participates in β ladder)trans-99121.9174.5-65179.218.800110.5V213 N217V213-Q276 HydrophobicContact CG1-CB 3.98Å; N217-Q276 PolarHBondContact ND2-O 3.44Å; N217-Q276 PolarHBondContact OD1-N 3.05Å
277D58Low56.7Low64 Ų6488.4 Ų88.434%0.34249%0.494SS..EExtended strand (participates in β ladder)trans-90144.3171.5-86.5-9.5000110.5K297 R299D277-K297 PolarHBondContact N-O 3.23Å; D277-K297 PolarHBondContact O-N 3.19Å; D277-R299 IonicContact OD1-NH1 3.31Å; D277-R299 WeakPolarHBondContact OD2-CD 3.22Å; D277-R299 IonicContact OD2-CZ 3.96Å; D277-R299 IonicContact OD2-NE 2.91Å; D277-R299 IonicContact OD2-NH1 3.86Å; D277-R299 PolarHBondContact OD2-NH1 3.25Å; D277-R299 VanDerWaalsContact OD2-NH1 3.08Å
278V57Low55.9Low56 Ų5690.9 Ų90.934%0.33950%0.504SS..EExtended strand (participates in β ladder)trans-111.7117.8179.5-1700000110L210 V213 A294L210-V278 HydrophobicContact CD2-CB 4.19Å; L210-V278 HydrophobicContact CD2-CG1 3.75Å; L210-V278 HydrophobicContact CD2-CG2 4.12Å; V213-V278 HydrophobicContact CB-CG2 4.15Å; V213-V278 HydrophobicContact CG1-CG2 3.67Å; V213-V278 HydrophobicContact CG2-CG2 4.3Å; V278-A294 HydrophobicContact CG1-CB 3.85Å
279E56.1Low55.5Low98 Ų9891.7 Ų91.746%0.45850%0.502SS..EExtended strand (participates in β ladder)trans-106.7133.5172.1-74.6178.1179.100111K297E279-K297 IonicContact OE1-NZ 2.75Å; E279-K297 PolarHBondContact OE1-NZ 2.85Å; E279-K297 IonicContact OE2-NZ 2.95Å; E279-K297 PolarHBondContact OE2-NZ 3.46Å
280L55.2Low54.9Low104 Ų10496.8 Ų96.855%0.54552%0.524SS..EExtended strand (participates in β ladder)trans-84.7109.4173.7-171.399.9000109.6F206 K282F206-L280 HydrophobicContact CE1-CD1 4.05Å; F206-L280 HydrophobicContact CE2-CD1 3.9Å; F206-L280 HydrophobicContact CZ-CD1 3.44Å; F206-L280 VanDerWaalsContact CZ-CD1 3.44Å; L280-K282 PolarHBondContact O-N 2.89Å
281L55.4Low54.4Low79 Ų7997.8 Ų97.841%0.41453%0.525SS..  trans-71.9113.6171-76.8168.9000110.4V283 Q293 V295L281-V283 HydrophobicContact CB-CG2 4.42Å; L281-V283 PolarHBondContact O-N 2.98Å; L281-V283 VanDerWaalsContact O-N 3.08Å; L281-Q293 HydrophobicContact CD1-CB 4.16Å; L281-V295 HydrophobicContact CD1-CG2 3.5Å; L281-V295 HydrophobicContact CG-CG2 4.18Å
282K54.5Low54.1Low199 Ų19990 Ų9087%0.86550%0.501SS*.  trans-75.790.3171-65.7-176.9-177.2-179.70109.1L280L280-K282 PolarHBondContact O-N 2.89Å
283V52.5Low53.8Low73 Ų7390.7 Ų90.744%0.44250%0.504SS..  trans-85.6113.3173.2-173.80000108.5L281 H285L281-V283 HydrophobicContact CB-CG2 4.42Å; L281-V283 PolarHBondContact O-N 2.98Å; L281-V283 VanDerWaalsContact O-N 3.08Å; V283-H285 WeakPolarHBondContact CG1-CE1 3.42Å; V283-H285 WeakPolarHBondContact CG1-ND1 3.29Å
284G49.8Very low53.1Low76 Ų7691.2 Ų91.278%0.78451%0.512SS*.  trans-81.2111.9169.600000109.4
285H47.8Very low52.5Low125 Ų12589.7 Ų89.758%0.57950%0.502SS*.  trans-129.7144.6178.7-85.75.2000113.6V283V283-H285 WeakPolarHBondContact CG1-CE1 3.42Å; V283-H285 WeakPolarHBondContact CG1-ND1 3.29Å
286V44.2Very low51.6Low167 Ų16792.9 Ų92.9100%1.01251%0.514SS*.SBendtrans-107.121.6176.7-168.20000110.1
287G49.1Very low50.9Low36 Ų3694.7 Ų94.737%0.37152%0.521SS..SBendtrans-148.9178.5-179.400000111.2L289G287-L289 PolarHBondContact O-N 3.29Å
288P41.6Very low50.5Low121 Ų12196.9 Ų96.979%0.78654%0.539SS*.SBendtrans-48.7125.8-162.319.1-30.9000112.3Q290P288-Q290 PolarHBondContact O-N 3.01Å
289L47.2Very low50.1Low104 Ų104100.9 Ų100.955%0.54555%0.548SS..  trans-67.391.9-162.9-83.3145.6000112.2G287 I291G287-L289 PolarHBondContact O-N 3.29Å; L289-I291 HydrophobicContact CB-CD1 4.35Å; L289-I291 HydrophobicContact CB-CG1 4.04Å; L289-I291 HydrophobicContact CD2-CD1 3.76Å; L289-I291 HydrophobicContact CD2-CG1 3.7Å; L289-I291 HydrophobicContact CG-CG1 4.5Å; L289-I291 PolarHBondContact O-N 3.01Å
290Q45.3Very low50.1Low158 Ų158100.4 Ų100.474%0.73855%0.552SS**  trans-83.389.4156.3-79.8-174-4.600108.7P288P288-Q290 PolarHBondContact O-N 3.01Å
291I47.7Very low50.3Low78 Ų7898 Ų9840%0.454%0.541SS..  trans-89.6124.3176.5-52.1177.6000109.3L199 S202 L289L199-I291 HydrophobicContact CD1-CD1 3.47Å; L199-I291 VanDerWaalsContact CD1-CD1 3.47Å; S202-I291 PolarHBondContact OG-O 3.43Å; L289-I291 HydrophobicContact CB-CD1 4.35Å; L289-I291 HydrophobicContact CB-CG1 4.04Å; L289-I291 HydrophobicContact CD2-CD1 3.76Å; L289-I291 HydrophobicContact CD2-CG1 3.7Å; L289-I291 HydrophobicContact CG-CG1 4.5Å; L289-I291 PolarHBondContact O-N 3.01Å
292G50.9Low50.3Low16 Ų1696.9 Ų96.917%0.16554%0.536CS..  trans81.191.5162.300000115.3
293Q49.1Very low50.3Low136 Ų13689.5 Ų89.564%0.63651%0.505SS*.  trans-89.4122.2155.6-93.2-179.1-15.400108.8L281L281-Q293 HydrophobicContact CD1-CB 4.16Å
294A45.9Very low50.1Low34 Ų3490.7 Ų90.728%0.28151%0.506SS..EExtended strand (participates in β ladder)trans-82.8114.8168.500000108.6F206 V278F206-A294 HydrophobicContact CE2-CB 4.09Å; V278-A294 HydrophobicContact CG1-CB 3.85Å
295V52.3Low50Low57 Ų5792.8 Ų92.835%0.34550%0.499SS..EExtended strand (participates in β ladder)trans-92.5121.8172-178.20000108L281 K297L281-V295 HydrophobicContact CD1-CG2 3.5Å; L281-V295 HydrophobicContact CG-CG2 4.18Å; V295-K297 HydrophobicContact CG1-CG 4.32Å
296K52.5Low49.9Very low109 Ų10990.5 Ų90.547%0.47450%0.497SS..EExtended strand (participates in β ladder)trans-83.9110.6177-59.7177.7-179.2-168.10108.3V213V213-K296 HydrophobicContact CG2-CD 4.19Å; V213-K296 HydrophobicContact CG2-CG 4.2Å
297K56.7Low49.7Very low98 Ų9889.7 Ų89.743%0.42648%0.476SS..EExtended strand (participates in β ladder)trans-107.7129.1172.3-72.8178.51801650109.5D277 E279 V295D277-K297 PolarHBondContact N-O 3.23Å; D277-K297 PolarHBondContact O-N 3.19Å; E279-K297 IonicContact OE1-NZ 2.75Å; E279-K297 PolarHBondContact OE1-NZ 2.85Å; E279-K297 IonicContact OE2-NZ 2.95Å; E279-K297 PolarHBondContact OE2-NZ 3.46Å; V295-K297 HydrophobicContact CG1-CG 4.32Å
298P49.6Very low49.2Very low111 Ų11191 Ų9172%0.72148%0.484SS*.EExtended strand (participates in β ladder)trans-70.9134.1173.528.9-31.7000109.8L275L275-P298 CarbonylContact O-C 3.56Å
299R49.4Very low49.1Very low140 Ų14092.5 Ų92.553%0.52848%0.482SS..EExtended strand (participates in β ladder)trans-125.6119.3176.1177.3170175-174.3-0109.3T274 L275 D277 V301T274-R299 CarbonylContact C-O 3.56Å; T274-R299 WeakPolarHBondContact CA-O 3.38Å; L275-R299 PolarHBondContact N-O 3.44Å; L275-R299 PolarHBondContact O-N 2.85Å; D277-R299 IonicContact OD1-NH1 3.31Å; D277-R299 WeakPolarHBondContact OD2-CD 3.22Å; D277-R299 IonicContact OD2-CZ 3.96Å; D277-R299 IonicContact OD2-NE 2.91Å; D277-R299 IonicContact OD2-NH1 3.86Å; D277-R299 PolarHBondContact OD2-NH1 3.25Å; D277-R299 VanDerWaalsContact OD2-NH1 3.08Å; R299-V301 HydrophobicContact CG-CG2 4.46Å
300T55.7Low48.8Very low87 Ų8794.1 Ų94.153%0.53449%0.487SS..EExtended strand (participates in β ladder)trans-82.3130.2169.934.50000110.1L273 T274L273-T300 CarbonylContact O-C 3.59Å; L273-T300 VanDerWaalsContact O-CA 3.24Å; L273-T300 WeakPolarHBondContact O-CA 3.3Å; T274-T300 HydrophobicContact CG2-CG2 3.39Å
301V59.5Low48.4Very low53 Ų5389.7 Ų89.732%0.32148%0.477SS..EExtended strand (participates in β ladder)trans-113.2118.8174-178.10000107.4E272 L273 L275 R299E272-V301 WeakPolarHBondContact CA-O 3.29Å; L273-V301 HydrophobicContact CB-CB 4.24Å; L273-V301 PolarHBondContact N-O 2.94Å; L273-V301 PolarHBondContact O-N 2.91Å; L275-V301 HydrophobicContact CD1-CG2 4.48Å; R299-V301 HydrophobicContact CG-CG2 4.46Å
302N54.9Low48.1Very low57 Ų5789.4 Ų89.431%0.30549%0.486SS..EExtended strand (participates in β ladder)trans-84.5124173.7-173.2-10.6000108.9R271 E304R271-N302 PolarHBondContact O-OD1 2.82Å; N302-E304 VanDerWaalsContact C-N 3.34Å; N302-E304 PolarHBondContact OD1-N 3.07Å
303M53.8Low47.6Very low43 Ų4392.2 Ų92.221%0.21251%0.508CS..SBendtrans-74.2-24-174.2-67-105.2-121.500112.9R271 L273 S306 W307R271-M303 PolarHBondContact O-N 2.9Å; L273-M303 HydrophobicContact CD1-CE 3.5Å; L273-M303 VanDerWaalsContact CD1-CE 3.5Å; L273-M303 HydrophobicContact CD1-CG 4.11Å; L273-M303 HydrophobicContact CD1-SD 3.61Å; L273-M303 HydrophobicContact CG-CE 4.35Å; M303-S306 PolarHBondContact O-N 3.21Å; M303-W307 HydrophobicContact CB-CH2 3.78Å; M303-W307 HydrophobicContact CB-CZ2 3.94Å; M303-W307 HydrophobicContact CB-CZ3 4.18Å; M303-W307 VanDerWaalsContact O-CD2 3.31Å
304E49.5Very low47.1Very low99 Ų9990 Ų9046%0.46351%0.508SS..Hα-helixtrans-71.4-33.6-174.9-66.5-177.8171.700113.3R271 N302 S306 W307R271-E304 IonicContact NE-OE1 3.41Å; N302-E304 VanDerWaalsContact C-N 3.34Å; N302-E304 PolarHBondContact OD1-N 3.07Å; E304-S306 VanDerWaalsContact C-N 3.34Å; E304-S306 PolarHBondContact O-N 3.03Å; E304-W307 HydrophobicContact CG-CE3 4.24Å; E304-W307 HydrophobicContact CG-CZ3 4.01Å
305D48Very low46.6Very low119 Ų11992.7 Ų92.764%0.63653%0.529SS*.Hα-helixtrans-71.3-25.5178.2-76.2-31.1000113.3
306S44.2Very low45.9Very low78 Ų7894.3 Ų94.355%0.54555%0.549SS..Hα-helixtrans-78.8-32.4178.5-1590000111.9M303 E304 M309M303-S306 PolarHBondContact O-N 3.21Å; E304-S306 VanDerWaalsContact C-N 3.34Å; E304-S306 PolarHBondContact O-N 3.03Å; S306-M309 PolarHBondContact O-N 3.2Å
307W41.8Very low45.1Very low149 Ų14993.7 Ų93.756%0.56456%0.558SS**Hα-helixtrans-71.5-30.7178.4-64.7-38.2000112.9M303 E304 M309 E310 A311M303-W307 HydrophobicContact CB-CH2 3.78Å; M303-W307 HydrophobicContact CB-CZ2 3.94Å; M303-W307 HydrophobicContact CB-CZ3 4.18Å; M303-W307 VanDerWaalsContact O-CD2 3.31Å; E304-W307 HydrophobicContact CG-CE3 4.24Å; E304-W307 HydrophobicContact CG-CZ3 4.01Å; W307-M309 VanDerWaalsContact C-N 3.28Å; W307-M309 PolarHBondContact O-N 2.91Å; W307-E310 PolarHBondContact O-N 3.26Å; W307-A311 PolarHBondContact O-N 3.01Å; W307-A311 VanDerWaalsContact O-N 3.1Å
308A37.5Very low43.8Very low64 Ų6495.8 Ų95.853%0.52958%0.579SS.*Hα-helixtrans-64.9-29.2176.600000113.3
309M40Very low42.9Very low152 Ų15296 Ų9675%0.74958%0.584SS**Hα-helixtrans-75.9-33.2177.3-71-94102.700112.7S306 W307S306-M309 PolarHBondContact O-N 3.2Å; W307-M309 VanDerWaalsContact C-N 3.28Å; W307-M309 PolarHBondContact O-N 2.91Å
310E40.2Very low41.9Very low139 Ų13996.1 Ų96.165%0.6560%0.6SS**Hα-helixtrans-81.1-35.1178.3-76.7-176.4151.800112.9W307 A312 A313 S314W307-E310 PolarHBondContact O-N 3.26Å; E310-A312 VanDerWaalsContact C-N 3.27Å; E310-A312 PolarHBondContact O-N 2.87Å; E310-A313 WeakPolarHBondContact O-CB 3.47Å; E310-A313 PolarHBondContact O-N 2.74Å; E310-S314 PolarHBondContact O-N 3.29Å
311A37.1Very low40.4Very low64 Ų6497.6 Ų97.653%0.52961%0.609SS.*Hα-helixtrans-61.8-34.4175.100000112.7W307 A313 S314 A315W307-A311 PolarHBondContact O-N 3.01Å; W307-A311 VanDerWaalsContact O-N 3.1Å; A311-A313 VanDerWaalsContact C-N 3.3Å; A311-A313 PolarHBondContact O-N 2.83Å; A311-S314 PolarHBondContact O-N 3.26Å; A311-A315 PolarHBondContact O-N 3.19Å
312A41.2Very low38.7Very low72 Ų72103.9 Ų103.960%0.59563%0.632SS**Hα-helixtrans-68.3-25.8174.600000113.4E310E310-A312 VanDerWaalsContact C-N 3.27Å; E310-A312 PolarHBondContact O-N 2.87Å
313A40.9Very low37.3Very low75 Ų75112.7 Ų112.762%0.6266%0.661SS**Hα-helixtrans-81.3-29.317700000112.7E310 A311E310-A313 WeakPolarHBondContact O-CB 3.47Å; E310-A313 PolarHBondContact O-N 2.74Å; A311-A313 VanDerWaalsContact C-N 3.3Å; A311-A313 PolarHBondContact O-N 2.83Å
314S37.8Very low35.9Very low91 Ų91119.2 Ų119.264%0.63669%0.691SS**Hα-helixtrans-77.1-34.8-180-176.20000113.4E310 A311 A316 S317E310-S314 PolarHBondContact O-N 3.29Å; A311-S314 PolarHBondContact O-N 3.26Å; S314-A316 PolarHBondContact O-N 3.35Å; S314-A316 VanDerWaalsContact O-N 3.1Å; S314-S317 PolarHBondContact O-N 3.14Å
315A35.7Very low34.6Very low89 Ų89123.9 Ų123.974%0.73672%0.715SS**THydrogen-bonded Turntrans-67.7-10.3-178.600000115.1A311A311-A315 PolarHBondContact O-N 3.19Å
316A37.4Very low33.3Very low91 Ų91125.1 Ų125.175%0.75272%0.722SS**THydrogen-bonded Turntrans-85.9-2.6-178.600000114.4S314S314-A316 PolarHBondContact O-N 3.35Å; S314-A316 VanDerWaalsContact O-N 3.1Å
317S36.4Very low32.2Very low96 Ų96128.3 Ų128.367%0.67173%0.73SS**SBendtrans-142.876.2-175.6-155.80000112.7S314S314-S317 PolarHBondContact O-N 3.14Å
318T29.5Very low31.3Very low142 Ų142126 Ų12687%0.87174%0.736SS**  trans-178.9114.8138.514.90000112.8
319S29.5Very low31Very low116 Ų116127.8 Ų127.881%0.81174%0.742SS**  trans-13999.4149.456.50000108.5
320V29.1Very low30.2Very low143 Ų143128.5 Ų128.587%0.86774%0.744SS**  trans-162.2133.7146.8174.20000107.7
321T25.2Very low29.4Very low118 Ų118129.5 Ų129.572%0.72475%0.749SS**  trans-96.7144.1-177.128.60000114.2
322F23.7Very low28.7Very low184 Ų184132.7 Ų132.781%0.80776%0.761SS**  trans65.3114.1144.8-87-86.7000122.6
323R24.5Very low27.8Very low243 Ų243136 Ų13692%0.91777%0.773SS**  180151.593-117.6179173.3142.6-1.9112.8
324E23.7Very low27.1Very low179 Ų179136.5 Ų136.584%0.83678%0.778SS**  trans-74.8146.4-167.5-60.6163.6142.500116.3
325M22.5Very low26.5Very low198 Ų198138 Ų13898%0.97579%0.788SS**  trans-164.1156131.8-120.9172.1174.400110.5
326D21.3Very low26.1Very low144 Ų144139.5 Ų139.577%0.7779%0.791SS**  trans-113.2165.5-138.1-156.33.9000114.2
327M21.9Very low25.5Very low146 Ų146147.2 Ų147.272%0.71980%0.8SS**  trans81.299.5154.5-62.6-61.8-107.200124.2
328S22.1Very low25Very low99 Ų99147.4 Ų147.469%0.69281%0.808SS**  70.9165.4118.680.20000122.4
329P30.4Very low24.8Very low102 Ų102146.3 Ų146.366%0.66281%0.806SS**  -129.7172.7-54.536.2-20.4000113.7
330E23.9Very low24.8Very low168 Ų168146.4 Ų146.479%0.78580%0.803SS**  trans97.6127.5139.1-93.9172.2-16100123.3
331E22.8Very low24.6Very low160 Ų160144 Ų14475%0.74880%0.799SS**  trans95101.9141.5-67.3-168.5158.400123.1
332V23.3Very low24.7Very low131 Ų131148.6 Ų148.679%0.79481%0.809SS**  60.199.4126.2-166.40000117.9
333V22.5Very low24.9Very low140 Ų140148.9 Ų148.985%0.84881%0.812SS**  trans-109.7121.3158.8173.50000109.3
334A25.1Very low25Very low87 Ų87149.1 Ų149.172%0.71981%0.813SS**PPolyproline II helixtrans-73142.7164.700000111.3
335S24.9Very low25.1Very low121 Ų121143.9 Ų143.985%0.84681%0.808SS**PPolyproline II helixtrans-55.8145.2-172.1-47.80000116.4
336P29.1Very low26.1Very low121 Ų121140.2 Ų140.279%0.78680%0.799SS**PPolyproline II helixtrans-102.6150.6165.536.4-27.5000111.8
337R24.7Very low26.6Very low254 Ų254142.5 Ų142.596%0.95881%0.805SS**  trans-141.5100.5157.1-120.2-178.4-177-175.32.2110.5
338A25Very low26.8Very low100 Ų100139.8 Ų139.883%0.82681%0.806SS**  trans-178.8101.9142.900000109.8
339S25.8Very low27.3Very low118 Ų118139.9 Ų139.983%0.82581%0.813SS**  trans-84.9172.9169.2-43.90000110.5
340P29.5Very low27.5Very low118 Ų118139.8 Ų139.877%0.76681%0.814SS**  -128.4142-69.633-17000111.7
341A24.1Very low28Very low93 Ų93137.6 Ų137.677%0.76981%0.808SS**  trans-70125.8157.300000108.8Q343A341-Q343 PolarHBondContact O-N 3.11Å
342K27.1Very low29.2Very low215 Ų215136.2 Ų136.294%0.93580%0.804SS**  trans-67.399.2167.8-93.5-179.9175.4174.30109.2
343Q27.6Very low30.8Very low189 Ų189132.6 Ų132.688%0.88378%0.779SS**  trans-70.3130.5158.1-71.1177.1-13.400108.8A341A341-Q343 PolarHBondContact O-N 3.11Å
344R28.3Very low32.7Very low248 Ų248134.3 Ų134.394%0.93678%0.778SS**  trans-107.2138158.6-121.9178.7-175.1-179.80.6107
345G26Very low35.2Very low70 Ų70130.9 Ų130.972%0.72275%0.748SS**  trans-67.6-172.1-162.400000117.3
346P43.4Very low37.9Very low121 Ų121130.9 Ų130.979%0.78674%0.738SS**  trans-82.3169.3-162.635.2-34.2000112.4
347E30.8Very low40.7Very low191 Ų191129.9 Ų129.989%0.89372%0.722SS**  trans99.274.9169.8-55.4-173.816400117.7
348A25.3Very low43.6Very low90 Ų90121.6 Ų121.674%0.74470%0.696SS**  -166.5120.9111.800000107.2S350A348-S350 VanDerWaalsContact C-N 3.28Å; A348-S350 PolarHBondContact O-N 2.94Å
349A34Very low46.4Very low101 Ų101122.1 Ų122.184%0.83568%0.679SS**  trans-64.187.317800000110.5N351A349-N351 PolarHBondContact O-N 3.1Å
350S33.2Very low49.4Very low100 Ų100121.1 Ų121.170%0.69966%0.66SS**  trans-73.4104.716358.10000107A348 I352A348-S350 VanDerWaalsContact C-N 3.28Å; A348-S350 PolarHBondContact O-N 2.94Å; S350-I352 PolarHBondContact O-N 2.82Å
351N36.3Very low52.1Low122 Ų122117.7 Ų117.765%0.65264%0.635SS**  trans-57.496.1174.2-88.3-52.8000109.8A349 Q353 R648A349-N351 PolarHBondContact O-N 3.1Å; N351-Q353 PolarHBondContact O-N 2.7Å; N351-R648 PolarHBondContact ND2-NH1 3.15Å
352I46.8Very low55Low131 Ų131114.6 Ų114.667%0.67261%0.611SS**  trans-62.1120.6174.9-61.1168.8000107.7S350 Q354S350-I352 PolarHBondContact O-N 2.82Å; I352-Q354 VanDerWaalsContact C-N 3.35Å; I352-Q354 PolarHBondContact O-N 3.35Å
353Q57.8Low57.8Low55 Ų55106.5 Ų106.526%0.25759%0.585SS.*  trans-70.292.3177.1-166.8163.8-53.300108.8N351 C355 H646N351-Q353 PolarHBondContact O-N 2.7Å; Q353-C355 PolarHBondContact O-N 2.73Å; Q353-H646 VanDerWaalsContact CD-O 3.23Å; Q353-H646 PolarHBondContact NE2-O 2.93Å
354Q61.8Low60.8Low176 Ų176104.7 Ų104.782%0.82257%0.574SS**  trans-77.6118.6-174.2-150.6170.58.100110.2I352 L356I352-Q354 VanDerWaalsContact C-N 3.35Å; I352-Q354 PolarHBondContact O-N 3.35Å; Q354-L356 PolarHBondContact O-N 3.41Å
355C76.9Confident63.4Low15 Ų1593.9 Ų93.910%0.10154%0.539CS..  trans-81.4107.4176.4-78.20000110.2Q353 I612 Y643 S644Q353-C355 PolarHBondContact O-N 2.73Å; C355-I612 HydrophobicContact CB-CD1 4.23Å; C355-I612 HydrophobicContact CB-CG1 3.87Å; C355-Y643 HydrophobicContact CB-CD1 4.48Å; C355-S644 WeakPolarHBondContact CA-O 3.36Å
356L82.4Confident66.3Low120 Ų12094 Ų9463%0.62853%0.53SS*.  trans-79.5133.3177.4-163.682.5000110.9Q354 L358 Y643 S644Q354-L356 PolarHBondContact O-N 3.41Å; L356-L358 PolarHBondContact O-N 3.41Å; L356-Y643 CarbonylContact O-C 3.51Å; L356-Y643 WeakPolarHBondContact O-CA 3.28Å; L356-S644 WeakPolarHBondContact CB-OG 3.42Å; L356-S644 PolarHBondContact N-OG 2.92Å; L356-S644 PolarHBondContact O-N 3.25Å
357F87.3Confident68.3Low101 Ų10191.8 Ų91.844%0.44351%0.514SS..EExtended strand (participates in β ladder)trans-66.9128.2171.1176.7-102.7000110.5K359 K360 K641 Y643F357-K359 WeakPolarHBondContact CE2-O 3.34Å; F357-K359 VanDerWaalsContact CZ-C 3.41Å; F357-K360 HydrophobicContact CE2-CB 4.49Å; F357-K360 HydrophobicContact CZ-CB 3.96Å; F357-K641 HydrophobicContact CD2-CB 4.43Å; F357-K641 HydrophobicContact CE2-CB 3.98Å; F357-K641 HydrophobicContact CE2-CG 4.05Å; F357-Y643 HydrophobicContact CB-CD1 4.01Å; F357-Y643 HydrophobicContact CB-CE1 3.82Å; F357-Y643 HydrophobicContact CD2-CD1 4.43Å; F357-Y643 AromaticContact CD2-CE1 3.96Å; F357-Y643 HydrophobicContact CD2-CE1 3.96Å; F357-Y643 HydrophobicContact CD2-CE2 4.44Å; F357-Y643 AromaticContact CD2-CZ 3.96Å; F357-Y643 HydrophobicContact CG-CE1 4.39Å
358L85.6Confident70.8Confident79 Ų7986.6 Ų86.641%0.41450%0.496SS..EExtended strand (participates in β ladder)trans-103.4-55.2-178.5-62.1179000111.8L356 I642L356-L358 PolarHBondContact O-N 3.41Å; L358-I642 HydrophobicContact CB-CG2 4.39Å; L358-I642 WeakPolarHBondContact CB-O 3.41Å; L358-I642 HydrophobicContact CD1-CG2 4.19Å; L358-I642 PolarHBondContact N-O 3.18Å
359K84.4Confident73.5Confident112 Ų11283.1 Ų83.149%0.48747%0.469SS..EExtended strand (participates in β ladder)trans-162.6161.6-177.265-178.8-176.8178.50112.6F357 I642F357-K359 WeakPolarHBondContact CE2-O 3.34Å; F357-K359 VanDerWaalsContact CZ-C 3.41Å; K359-I642 HydrophobicContact CD-CD1 4.22Å; K359-I642 HydrophobicContact CG-CB 4.09Å; K359-I642 HydrophobicContact CG-CD1 3.82Å; K359-I642 HydrophobicContact CG-CG1 4.36Å; K359-I642 PolarHBondContact N-O 2.93Å; K359-I642 PolarHBondContact O-N 3.27Å
360K87.9Confident76.2Confident97 Ų9781.8 Ų81.842%0.42245%0.447SS..EExtended strand (participates in β ladder)trans-111.4143.5172.5170.6171.9170160.20110F357 D637 C639 I640F357-K360 HydrophobicContact CE2-CB 4.49Å; F357-K360 HydrophobicContact CZ-CB 3.96Å; K360-D637 IonicContact NZ-OD1 3.92Å; K360-D637 PolarHBondContact NZ-OD1 2.58Å; K360-D637 IonicContact NZ-OD2 2.9Å; K360-D637 PolarHBondContact NZ-OD2 3.09Å; K360-C639 HydrophobicContact CD-CB 4.06Å; K360-C639 VanDerWaalsContact CE-CB 3.42Å; K360-C639 WeakPolarHBondContact CE-SG 3.31Å; K360-C639 HydrophobicContact CG-CB 3.84Å; K360-I640 CarbonylContact C-O 3.35Å; K360-I640 WeakPolarHBondContact CA-O 3.42Å
361M87.1Confident78.9Confident46 Ų4677 Ų7723%0.22741%0.413CS..EExtended strand (participates in β ladder)trans-130.9142.4170.463.9173.556.900111.1C639 I640 I642M361-C639 CarbonylContact O-C 3.48Å; M361-C639 WeakPolarHBondContact O-CA 3.38Å; M361-C639 VanDerWaalsContact O-CB 3.28Å; M361-C639 WeakPolarHBondContact O-CB 3.25Å; M361-I640 HydrophobicContact CG-CB 3.6Å; M361-I640 HydrophobicContact CG-CD1 4.17Å; M361-I640 HydrophobicContact CG-CG1 4.34Å; M361-I640 HydrophobicContact CG-CG2 4.35Å; M361-I640 PolarHBondContact N-O 2.72Å; M361-I640 PolarHBondContact O-N 3.02Å; M361-I640 HydrophobicContact SD-CB 4.1Å; M361-I640 HydrophobicContact SD-CD1 3.83Å; M361-I640 HydrophobicContact SD-CG2 4.44Å; M361-I642 HydrophobicContact CE-CD1 3.49Å; M361-I642 VanDerWaalsContact CE-CD1 3.49Å
362G85Confident81.4Confident27 Ų2773.5 Ų73.528%0.27839%0.394SS..  trans87.3162.4-179.900000114.3G369G362-G369 WeakPolarHBondContact CA-O 3.3Å
363A86.3Confident83.4Confident46 Ų4670.8 Ų70.838%0.3838%0.381SS..  trans-151.9167.3178.900000109.2G365 M370 F371 H638A363-G365 PolarHBondContact O-N 2.95Å; A363-M370 CarbonylContact O-C 3.6Å; A363-M370 WeakPolarHBondContact O-CA 3.44Å; A363-M370 VanDerWaalsContact O-CB 3.3Å; A363-M370 WeakPolarHBondContact O-CB 3.03Å; A363-F371 PolarHBondContact O-N 3.45Å; A363-H638 CarbonylContact C-O 3.48Å; A363-H638 PolarHBondContact N-O 2.96Å
364K90.1Very high84.9Confident151 Ų15168.1 Ų68.166%0.65737%0.369SS*.BIsolated β-bridgetrans-61.3128.4174.7-173175.8-176.3173.80111F371 H638K364-F371 WeakPolarHBondContact CA-O 3.43Å; K364-H638 HydrophobicContact CB-CB 3.96Å
365G84.1Confident86.2Confident20 Ų2061.1 Ų61.121%0.20634%0.338CS..SBendtrans156.6-171.6174.500000113.7A363 F371 N392A363-G365 PolarHBondContact O-N 2.95Å; G365-F371 PolarHBondContact N-O 2.66Å; G365-F371 VanDerWaalsContact N-O 3.08Å; G365-F371 CarbonylContact O-C 3.48Å; G365-F371 VanDerWaalsContact O-C 3.31Å; G365-F371 PolarHBondContact O-N 3.27Å; G365-N392 PolarHBondContact O-ND2 3.28Å
366S86.6Confident86.9Confident74 Ų7461 Ų6152%0.51734%0.337SS..SBendtrans-121.8-4.4-175-55.70000114N392 R394S366-N392 WeakPolarHBondContact CB-OD1 3.27Å; S366-N392 PolarHBondContact OG-OD1 3.37Å; S366-R394 PolarHBondContact O-NH1 2.56Å; S366-R394 VanDerWaalsContact O-NH1 3.11Å; S366-R394 PolarHBondContact O-NH2 2.94Å
367T85.4Confident87.4Confident74 Ų7455.8 Ų55.845%0.45431%0.31SS..SBendtrans-75164.7175.6570000111.1G369 M370 R394T367-G369 PolarHBondContact O-N 3.5Å; T367-M370 PolarHBondContact O-N 3.03Å; T367-M370 VanDerWaalsContact OG1-CG 3.32Å; T367-M370 WeakPolarHBondContact OG1-CG 3.39Å; T367-M370 PolarHBondContact OG1-SD 3.42Å; T367-R394 PolarHBondContact O-NH2 3.34Å
368P83.3Confident87.7Confident81 Ų8154.2 Ų54.253%0.52630%0.301SS..THydrogen-bonded Turntrans-53.7126.5175-28.937.6000112.3M370 F403P368-M370 VanDerWaalsContact C-N 3.33Å; P368-F403 HydrophobicContact CB-CD1 3.69Å; P368-F403 HydrophobicContact CB-CD2 4.02Å; P368-F403 HydrophobicContact CB-CE1 3.66Å; P368-F403 HydrophobicContact CB-CE2 3.98Å; P368-F403 HydrophobicContact CB-CG 3.86Å; P368-F403 HydrophobicContact CB-CZ 3.79Å; P368-F403 HydrophobicContact CG-CE1 4.31Å; P368-F403 HydrophobicContact CG-CZ 4.38Å
369G82Confident88.1Confident17 Ų1751.1 Ų51.118%0.17529%0.286CS..THydrogen-bonded Turntrans85.2-2.7-177.200000115.8G362 T367G362-G369 WeakPolarHBondContact CA-O 3.3Å; T367-G369 PolarHBondContact O-N 3.5Å
370M89.9Confident88.3Confident73 Ų7346.1 Ų46.136%0.3627%0.265SS..  trans-101.3155168.5-63.2-170.6-173.700111.1A363 T367 P368 R394 Q396A363-M370 CarbonylContact O-C 3.6Å; A363-M370 WeakPolarHBondContact O-CA 3.44Å; A363-M370 VanDerWaalsContact O-CB 3.3Å; A363-M370 WeakPolarHBondContact O-CB 3.03Å; T367-M370 PolarHBondContact O-N 3.03Å; T367-M370 VanDerWaalsContact OG1-CG 3.32Å; T367-M370 WeakPolarHBondContact OG1-CG 3.39Å; T367-M370 PolarHBondContact OG1-SD 3.42Å; P368-M370 VanDerWaalsContact C-N 3.33Å; M370-R394 PolarHBondContact O-NH2 3Å; M370-Q396 PolarHBondContact O-NE2 3.25Å
371F90.2Very high88.2Confident0 Ų046.8 Ų46.80%028%0.282CS..BIsolated β-bridgetrans-125.5148.1-173.5-58.6-65.8000112.2A363 K364 G365 P374 V387 F398 H638 I640A363-F371 PolarHBondContact O-N 3.45Å; K364-F371 WeakPolarHBondContact CA-O 3.43Å; G365-F371 PolarHBondContact N-O 2.66Å; G365-F371 VanDerWaalsContact N-O 3.08Å; G365-F371 CarbonylContact O-C 3.48Å; G365-F371 VanDerWaalsContact O-C 3.31Å; G365-F371 PolarHBondContact O-N 3.27Å; F371-P374 HydrophobicContact CB-CB 4.13Å; F371-P374 HydrophobicContact CB-CG 3.88Å; F371-P374 HydrophobicContact CD1-CB 4.33Å; F371-P374 HydrophobicContact CG-CB 4.35Å; F371-P374 HydrophobicContact CG-CG 4.37Å; F371-V387 HydrophobicContact CD1-CG1 4Å; F371-V387 HydrophobicContact CE1-CB 3.89Å; F371-V387 HydrophobicContact CE1-CG1 3.6Å; F371-V387 HydrophobicContact CE1-CG2 4.07Å; F371-V387 HydrophobicContact CZ-CB 4.46Å; F371-V387 HydrophobicContact CZ-CG1 4.25Å; F371-V387 HydrophobicContact CZ-CG2 4.15Å; F371-F398 AromaticContact CE1-CE2 3.62Å; F371-F398 HydrophobicContact CE1-CE2 3.62Å; F371-F398 AromaticContact CE1-CZ 3.65Å; F371-F398 HydrophobicContact CE1-CZ 3.65Å; F371-F398 HydrophobicContact CE2-CZ 4.36Å; F371-F398 HydrophobicContact CZ-CE1 4.3Å; F371-F398 AromaticContact CZ-CE2 3.46Å; F371-F398 HydrophobicContact CZ-CE2 3.46Å; F371-F398 VanDerWaalsContact CZ-CE2 3.46Å; F371-F398 AromaticContact CZ-CZ 3.33Å; F371-F398 HydrophobicContact CZ-CZ 3.33Å; F371-H638 HydrophobicContact CB-CB 4.48Å; F371-H638 WeakPolarHBondContact CD2-O 3.5Å; F371-H638 PolarHBondContact O-ND1 3.25Å; F371-I640 HydrophobicContact CE2-CD1 4.26Å; F371-I640 HydrophobicContact CE2-CG1 4.42Å; F371-I640 HydrophobicContact CZ-CD1 4Å
372N88.6Confident88.1Confident48 Ų4851.8 Ų51.826%0.25731%0.305SS..SBendtrans-135.9109.4171.4-173.921.7000109.6D389 G391 N392N372-D389 PolarHBondContact N-OD1 3.29Å; N372-G391 PolarHBondContact ND2-O 2.84Å; N372-G391 WeakPolarHBondContact O-CA 3.24Å; N372-G391 PolarHBondContact O-N 3.28Å; N372-N392 WeakPolarHBondContact CB-ND2 3.4Å; N372-N392 PolarHBondContact N-ND2 2.81Å
373L88Confident88.1Confident74 Ų7451.2 Ų51.239%0.38730%0.298SS..SBendtrans50.459.9-172.6-60.8173.6000112.7R390L373-R390 WeakPolarHBondContact O-CB 3.5Å; L373-R390 PolarHBondContact O-N 3.36Å
374P90.6Very high88.4Confident0 Ų050.3 Ų50.30%029%0.286CS..EExtended strand (participates in β ladder)trans-73.7131.6176.336.1-36.9000109.7F371 V387 A388 L633 C635F371-P374 HydrophobicContact CB-CB 4.13Å; F371-P374 HydrophobicContact CB-CG 3.88Å; F371-P374 HydrophobicContact CD1-CB 4.33Å; F371-P374 HydrophobicContact CG-CB 4.35Å; F371-P374 HydrophobicContact CG-CG 4.37Å; P374-V387 HydrophobicContact CB-CG1 4.03Å; P374-A388 WeakPolarHBondContact CA-O 3.31Å; P374-L633 HydrophobicContact CB-CD1 3.79Å; P374-L633 HydrophobicContact CB-CD2 3.93Å; P374-L633 HydrophobicContact CB-CG 4.21Å; P374-L633 HydrophobicContact CG-CD1 3.74Å; P374-L633 HydrophobicContact CG-CD2 4.4Å; P374-L633 HydrophobicContact CG-CG 4.19Å; P374-C635 WeakPolarHBondContact O-CB 3.35Å; P374-C635 PolarHBondContact O-SG 3.3Å
375V89.3Confident88.5Confident28 Ų2843.7 Ų43.717%0.1726%0.258CS..EExtended strand (participates in β ladder)trans-116.8-18.3-166.1-70.70000114.6A388 R390 P431 L432 V620V375-A388 HydrophobicContact CG2-CB 3.94Å; V375-A388 PolarHBondContact N-O 3.35Å; V375-R390 HydrophobicContact CG1-CB 3.95Å; V375-R390 HydrophobicContact CG2-CB 3.87Å; V375-P431 VanDerWaalsContact CG2-O 3.27Å; V375-P431 WeakPolarHBondContact CG2-O 3.39Å; V375-L432 VanDerWaalsContact CG2-O 3.25Å; V375-L432 WeakPolarHBondContact CG2-O 3.32Å; V375-V620 WeakPolarHBondContact O-CG1 3.45Å
376S91.5Very high89Confident14 Ų1442.8 Ų42.810%0.09825%0.249CC..EExtended strand (participates in β ladder)trans-154147-179.61750000110.3V387 A388 L432 V434S376-V387 WeakPolarHBondContact O-CA 3.47Å; S376-A388 PolarHBondContact O-N 2.94Å; S376-L432 WeakPolarHBondContact CB-O 3.48Å; S376-V434 PolarHBondContact OG-N 2.8Å
377L93.1Very high89.3Confident9 Ų939.2 Ų39.25%0.04722%0.224CC..EExtended strand (participates in β ladder)trans-128153.4166.485.7158.7000111.4V385 L386 G621 I622 A623 L631 L633L377-V385 HydrophobicContact CD1-CG1 4.27Å; L377-L386 CarbonylContact C-O 3.5Å; L377-L386 WeakPolarHBondContact CA-O 3.44Å; L377-G621 VanDerWaalsContact CD2-O 3.29Å; L377-G621 WeakPolarHBondContact CD2-O 3.34Å; L377-I622 VanDerWaalsContact CD2-C 3.5Å; L377-A623 HydrophobicContact CD1-CB 3.8Å; L377-A623 HydrophobicContact CD2-CB 4.36Å; L377-A623 HydrophobicContact CG-CB 3.78Å; L377-L631 HydrophobicContact CD1-CB 3.46Å; L377-L631 VanDerWaalsContact CD1-CB 3.46Å; L377-L631 HydrophobicContact CD1-CD2 4.09Å; L377-L631 HydrophobicContact CD1-CG 4.4Å; L377-L633 HydrophobicContact CB-CD2 4.49Å; L377-L633 HydrophobicContact CD2-CB 3.84Å
378Y93.5Very high89.7Confident68 Ų6835.7 Ų35.727%0.26720%0.202SC..EExtended strand (participates in β ladder)trans-139.8144.4171.8-177.5-89.3000109.9T380 V385 L386 V434 A435 M436Y378-T380 HydrophobicContact CE1-CG2 4.49Å; Y378-V385 CarbonylContact O-C 3.6Å; Y378-V385 WeakPolarHBondContact O-CA 3.27Å; Y378-L386 HydrophobicContact CD1-CD1 4.49Å; Y378-L386 PolarHBondContact N-O 3.41Å; Y378-L386 PolarHBondContact O-N 3.07Å; Y378-V434 WeakPolarHBondContact CB-O 3.2Å; Y378-A435 HydrophobicContact CD2-CB 4.3Å; Y378-A435 HydrophobicContact CE2-CB 4.4Å; Y378-M436 HydrophobicContact CD1-CB 4.02Å; Y378-M436 HydrophobicContact CE1-CB 3.56Å; Y378-M436 PolarHBondContact OH-O 3.12Å; Y378-M436 VanDerWaalsContact OH-O 3.08Å
379V92.4Very high90Very high15 Ų1531.9 Ų31.99%0.09118%0.177CC..EExtended strand (participates in β ladder)trans-115127.1177.5177.50000109.8E384 V385 A623 T625 L631V379-E384 CarbonylContact C-O 3.55Å; V379-E384 WeakPolarHBondContact CA-O 3.5Å; V379-V385 HydrophobicContact CG2-CG1 4.43Å; V379-V385 HydrophobicContact CG2-CG2 4.31Å; V379-A623 HydrophobicContact CB-CB 4.19Å; V379-A623 HydrophobicContact CG2-CB 3.57Å; V379-T625 HydrophobicContact CG1-CG2 4.26Å; V379-L631 HydrophobicContact CG2-CD2 3.95Å
380T90.1Very high90.4Very high7 Ų735.6 Ų35.64%0.04319%0.186CC..  trans-77.8161.9178.174.20000111.6Y378 Q382 G383 E384 L386 M436Y378-T380 HydrophobicContact CE1-CG2 4.49Å; T380-Q382 PolarHBondContact O-N 3.14Å; T380-Q382 PolarHBondContact OG1-N 3.08Å; T380-G383 WeakPolarHBondContact O-CA 3.48Å; T380-G383 PolarHBondContact O-N 2.9Å; T380-G383 PolarHBondContact OG1-N 2.6Å; T380-E384 HydrophobicContact CG2-CB 4Å; T380-E384 PolarHBondContact N-O 3.09Å; T380-E384 WeakPolarHBondContact OG1-CB 3.4Å; T380-E384 PolarHBondContact OG1-N 3.04Å; T380-L386 HydrophobicContact CG2-CD1 3.31Å; T380-M436 HydrophobicContact CG2-CE 3.33Å; T380-M436 HydrophobicContact CG2-SD 3.61Å
381S84.3Confident90.2Very high111 Ų11133 Ų3378%0.77618%0.178SC*.THydrogen-bonded Turntrans-59.3-26.5172.555.20000113.1G383S381-G383 PolarHBondContact O-N 3.4Å
382Q85.4Confident90.1Very high151 Ų15133.9 Ų33.971%0.70618%0.183SC*.THydrogen-bonded Turntrans-78.6-8.8174.3-58.6-1725.600112.9T380 E384T380-Q382 PolarHBondContact O-N 3.14Å; T380-Q382 PolarHBondContact OG1-N 3.08Å; Q382-E384 HydrophobicContact CB-CG 4.4Å
383G86.1Confident90.2Very high14 Ų1437.6 Ų37.614%0.14419%0.194CC..SBendtrans82.224.2-178.100000113.8T380 S381T380-G383 WeakPolarHBondContact O-CA 3.48Å; T380-G383 PolarHBondContact O-N 2.9Å; T380-G383 PolarHBondContact OG1-N 2.6Å; S381-G383 PolarHBondContact O-N 3.4Å
384E91Very high90.3Very high28 Ų2834 Ų3413%0.13118%0.176CC..  trans-82.6145167.8-51.8178.8130.600109.5V379 T380 Q382 V397 F398 T399V379-E384 CarbonylContact C-O 3.55Å; V379-E384 WeakPolarHBondContact CA-O 3.5Å; T380-E384 HydrophobicContact CG2-CB 4Å; T380-E384 PolarHBondContact N-O 3.09Å; T380-E384 WeakPolarHBondContact OG1-CB 3.4Å; T380-E384 PolarHBondContact OG1-N 3.04Å; Q382-E384 HydrophobicContact CB-CG 4.4Å; E384-V397 HydrophobicContact CB-CG1 4.3Å; E384-F398 CarbonylContact C-O 3.58Å; E384-F398 VanDerWaalsContact CA-O 3.23Å; E384-F398 WeakPolarHBondContact CA-O 3.46Å; E384-T399 HydrophobicContact CG-CG2 4.38Å
385V92.9Very high90.4Very high12 Ų1234 Ų347%0.07318%0.176CC..EExtended strand (participates in β ladder)trans-110.9119.5-179.3-170.50000108.6L377 Y378 V379 V387 V397 F398 L631 I640L377-V385 HydrophobicContact CD1-CG1 4.27Å; Y378-V385 CarbonylContact O-C 3.6Å; Y378-V385 WeakPolarHBondContact O-CA 3.27Å; V379-V385 HydrophobicContact CG2-CG1 4.43Å; V379-V385 HydrophobicContact CG2-CG2 4.31Å; V385-V387 HydrophobicContact CG1-CG2 4.14Å; V385-V397 CarbonylContact O-C 3.56Å; V385-V397 WeakPolarHBondContact O-CA 3.38Å; V385-F398 HydrophobicContact CB-CB 4.21Å; V385-F398 PolarHBondContact N-O 3.08Å; V385-F398 PolarHBondContact O-N 3.27Å; V385-L631 HydrophobicContact CB-CD2 4.38Å; V385-L631 HydrophobicContact CG1-CD2 3.85Å; V385-L631 HydrophobicContact CG2-CD2 3.57Å; V385-I640 HydrophobicContact CG1-CD1 4.33Å
386L94.3Very high90.5Very high0 Ų032.7 Ų32.70%017%0.167CC..EExtended strand (participates in β ladder)trans-97.8133.6174.1-71.979.9000108.3L377 Y378 T380 Q396 V397 V434 M436 I442L377-L386 CarbonylContact C-O 3.5Å; L377-L386 WeakPolarHBondContact CA-O 3.44Å; Y378-L386 HydrophobicContact CD1-CD1 4.49Å; Y378-L386 PolarHBondContact N-O 3.41Å; Y378-L386 PolarHBondContact O-N 3.07Å; T380-L386 HydrophobicContact CG2-CD1 3.31Å; L386-Q396 CarbonylContact C-O 3.58Å; L386-Q396 WeakPolarHBondContact CA-O 3.42Å; L386-V397 HydrophobicContact CG-CG2 4.32Å; L386-V434 HydrophobicContact CB-CG1 4.37Å; L386-V434 HydrophobicContact CB-CG2 4.26Å; L386-V434 HydrophobicContact CD2-CG2 4.07Å; L386-M436 HydrophobicContact CD1-CE 3.56Å; L386-M436 HydrophobicContact CD2-CE 3.58Å; L386-M436 HydrophobicContact CG-CE 4.21Å; L386-I442 HydrophobicContact CD2-CD1 3.64Å; L386-I442 HydrophobicContact CD2-CG1 3.82Å; L386-I442 HydrophobicContact CD2-CG2 3.89Å
387V93.8Very high90.5Very high0 Ų032 Ų320%016%0.163CC..EExtended strand (participates in β ladder)trans-129.4122.3-178.4-1720000109.1F371 P374 S376 V385 D389 I395 Q396 F398 L633 I640F371-V387 HydrophobicContact CD1-CG1 4Å; F371-V387 HydrophobicContact CE1-CB 3.89Å; F371-V387 HydrophobicContact CE1-CG1 3.6Å; F371-V387 HydrophobicContact CE1-CG2 4.07Å; F371-V387 HydrophobicContact CZ-CB 4.46Å; F371-V387 HydrophobicContact CZ-CG1 4.25Å; F371-V387 HydrophobicContact CZ-CG2 4.15Å; P374-V387 HydrophobicContact CB-CG1 4.03Å; S376-V387 WeakPolarHBondContact O-CA 3.47Å; V385-V387 HydrophobicContact CG1-CG2 4.14Å; V387-D389 PolarHBondContact O-N 3.42Å; V387-I395 CarbonylContact O-C 3.56Å; V387-I395 VanDerWaalsContact O-CA 3.29Å; V387-I395 WeakPolarHBondContact O-CA 3.23Å; V387-Q396 PolarHBondContact N-O 3.02Å; V387-Q396 PolarHBondContact O-N 2.92Å; V387-F398 HydrophobicContact CB-CE2 4.37Å; V387-F398 HydrophobicContact CG2-CD2 3.92Å; V387-F398 HydrophobicContact CG2-CE2 3.82Å; V387-L633 HydrophobicContact CG1-CD1 4.22Å; V387-L633 HydrophobicContact CG1-CD2 4.36Å; V387-I640 HydrophobicContact CG2-CD1 3.63Å
388A92.5Very high90.3Very high0 Ų032.2 Ų32.20%016%0.163CC..EExtended strand (participates in β ladder)trans-79.3105.2170.800000109.3P374 V375 S376 R390 P431 V434P374-A388 WeakPolarHBondContact CA-O 3.31Å; V375-A388 HydrophobicContact CG2-CB 3.94Å; V375-A388 PolarHBondContact N-O 3.35Å; S376-A388 PolarHBondContact O-N 2.94Å; A388-R390 PolarHBondContact O-N 3.49Å; A388-P431 HydrophobicContact CB-CB 3.9Å; A388-P431 HydrophobicContact CB-CG 4.14Å; A388-V434 HydrophobicContact CB-CG1 4.31Å
389D91.1Very high90Very high0 Ų030.8 Ų30.80%016%0.162CC..EExtended strand (participates in β ladder)trans-100.780.2-176.4-172.711.3000109.2N372 V387 G391 N392 Y393 R394 Q396N372-D389 PolarHBondContact N-OD1 3.29Å; V387-D389 PolarHBondContact O-N 3.42Å; D389-G391 PolarHBondContact O-N 3.23Å; D389-N392 CarbonylContact O-C 3.59Å; D389-N392 PolarHBondContact O-N 3.34Å; D389-N392 PolarHBondContact OD1-ND2 3.26Å; D389-N392 WeakPolarHBondContact OD2-CB 3.24Å; D389-N392 PolarHBondContact OD2-ND2 3.42Å; D389-Y393 PolarHBondContact O-N 2.89Å; D389-Y393 VanDerWaalsContact O-N 3.12Å; D389-R394 HydrophobicContact CB-CG 3.92Å; D389-R394 WeakPolarHBondContact CB-O 3.38Å; D389-R394 PolarHBondContact N-O 3.43Å; D389-R394 PolarHBondContact O-N 3.01Å; D389-R394 IonicContact OD2-CZ 3.84Å; D389-R394 IonicContact OD2-NE 3.92Å; D389-R394 PolarHBondContact OD2-NE 2.85Å; D389-R394 IonicContact OD2-NH2 2.82Å; D389-R394 PolarHBondContact OD2-NH2 2.95Å; D389-Q396 PolarHBondContact OD2-NE2 3.01Å
390R88.9Confident89.2Confident95 Ų9538.2 Ų38.236%0.35819%0.188SC..G310 helixtrans-60.1-44.6-167.3-178.2-179174.9-88.5-1.5112.6L373 V375 A388 N392 Y393L373-R390 WeakPolarHBondContact O-CB 3.5Å; L373-R390 PolarHBondContact O-N 3.36Å; V375-R390 HydrophobicContact CG1-CB 3.95Å; V375-R390 HydrophobicContact CG2-CB 3.87Å; A388-R390 PolarHBondContact O-N 3.49Å; R390-N392 PolarHBondContact O-N 2.89Å; R390-Y393 PolarHBondContact O-N 3.35Å; R390-Y393 VanDerWaalsContact O-N 3.15Å
391G87.3Confident88.3Confident18 Ų1847.9 Ų47.919%0.18623%0.229CC..G310 helixtrans-69.8-17.3-17800000114N372 D389N372-G391 PolarHBondContact ND2-O 2.84Å; N372-G391 WeakPolarHBondContact O-CA 3.24Å; N372-G391 PolarHBondContact O-N 3.28Å; D389-G391 PolarHBondContact O-N 3.23Å
392N88.5Confident88Confident20 Ų2044 Ų4411%0.10721%0.208CC..G310 helixtrans-105.86.9173.5-69.2-41.7000112.9G365 S366 N372 D389 R390 R394G365-N392 PolarHBondContact O-ND2 3.28Å; S366-N392 WeakPolarHBondContact CB-OD1 3.27Å; S366-N392 PolarHBondContact OG-OD1 3.37Å; N372-N392 WeakPolarHBondContact CB-ND2 3.4Å; N372-N392 PolarHBondContact N-ND2 2.81Å; D389-N392 CarbonylContact O-C 3.59Å; D389-N392 PolarHBondContact O-N 3.34Å; D389-N392 PolarHBondContact OD1-ND2 3.26Å; D389-N392 WeakPolarHBondContact OD2-CB 3.24Å; D389-N392 PolarHBondContact OD2-ND2 3.42Å; R390-N392 PolarHBondContact O-N 2.89Å; N392-R394 VanDerWaalsContact C-N 3.28Å; N392-R394 HydrophobicContact CB-CG 3.95Å; N392-R394 PolarHBondContact O-N 3.46Å
393Y88.9Confident88.1Confident125 Ų12540.2 Ų40.249%0.4919%0.189SC..THydrogen-bonded Turntrans55.537.7176.5-50.8-76.4000114.2D389 R390 L429 T430D389-Y393 PolarHBondContact O-N 2.89Å; D389-Y393 VanDerWaalsContact O-N 3.12Å; R390-Y393 PolarHBondContact O-N 3.35Å; R390-Y393 VanDerWaalsContact O-N 3.15Å; Y393-L429 CarbonylContact C-O 3.57Å; Y393-L429 WeakPolarHBondContact CA-O 3.48Å; Y393-L429 VanDerWaalsContact CB-O 3.3Å; Y393-L429 WeakPolarHBondContact CB-O 3.03Å; Y393-T430 HydrophobicContact CD1-CG2 3.65Å; Y393-T430 HydrophobicContact CE1-CG2 3.69Å
394R90Very high88.1Confident0 Ų043.5 Ų43.50%020%0.203CC..EExtended strand (participates in β ladder)trans-145.2163.4-172.969-179.9177.5-178.5-5112.9S366 T367 M370 D389 N392 Q396 E406 R408S366-R394 PolarHBondContact O-NH1 2.56Å; S366-R394 VanDerWaalsContact O-NH1 3.11Å; S366-R394 PolarHBondContact O-NH2 2.94Å; T367-R394 PolarHBondContact O-NH2 3.34Å; M370-R394 PolarHBondContact O-NH2 3Å; D389-R394 HydrophobicContact CB-CG 3.92Å; D389-R394 WeakPolarHBondContact CB-O 3.38Å; D389-R394 PolarHBondContact N-O 3.43Å; D389-R394 PolarHBondContact O-N 3.01Å; D389-R394 IonicContact OD2-CZ 3.84Å; D389-R394 IonicContact OD2-NE 3.92Å; D389-R394 PolarHBondContact OD2-NE 2.85Å; D389-R394 IonicContact OD2-NH2 2.82Å; D389-R394 PolarHBondContact OD2-NH2 2.95Å; N392-R394 VanDerWaalsContact C-N 3.28Å; N392-R394 HydrophobicContact CB-CG 3.95Å; N392-R394 PolarHBondContact O-N 3.46Å; R394-Q396 HydrophobicContact CG-CG 4.19Å; R394-Q396 VanDerWaalsContact CZ-CD 3.47Å; R394-Q396 VanDerWaalsContact NH2-NE2 3.15Å; R394-E406 VanDerWaalsContact CD-OE2 3.23Å; R394-E406 WeakPolarHBondContact CD-OE2 3.45Å; R394-E406 IonicContact CZ-OE2 3.62Å; R394-E406 IonicContact NE-OE2 2.92Å; R394-E406 IonicContact NH1-OE2 3.3Å; R394-E406 PolarHBondContact NH1-OE2 3.48Å; R394-R408 HydrophobicContact CB-CG 3.82Å
395I92.8Very high87.9Confident0 Ų044.9 Ų44.90%021%0.208CC..EExtended strand (participates in β ladder)trans-111.3129165.4-61.3163.1000107.7V387 E406 I407 L429 P431 V444V387-I395 CarbonylContact O-C 3.56Å; V387-I395 VanDerWaalsContact O-CA 3.29Å; V387-I395 WeakPolarHBondContact O-CA 3.23Å; I395-E406 CarbonylContact O-C 3.53Å; I395-E406 VanDerWaalsContact O-CA 3.29Å; I395-E406 WeakPolarHBondContact O-CA 3.33Å; I395-I407 HydrophobicContact CB-CB 4.27Å; I395-I407 PolarHBondContact N-O 3.35Å; I395-I407 PolarHBondContact O-N 3.13Å; I395-L429 HydrophobicContact CD1-CD2 4.28Å; I395-L429 HydrophobicContact CG1-CD2 4.49Å; I395-P431 HydrophobicContact CG1-CB 4.26Å; I395-P431 HydrophobicContact CG1-CG 4.42Å; I395-V444 HydrophobicContact CD1-CB 4.21Å; I395-V444 HydrophobicContact CD1-CG1 3.88Å; I395-V444 HydrophobicContact CD1-CG2 3.25Å
396Q92.1Very high87.7Confident0 Ų047.6 Ų47.60%022%0.22CC..EExtended strand (participates in β ladder)trans-105.1135.4176.4-67.2-170.780.700110.1M370 L386 V387 D389 R394 F398 F403 E406M370-Q396 PolarHBondContact O-NE2 3.25Å; L386-Q396 CarbonylContact C-O 3.58Å; L386-Q396 WeakPolarHBondContact CA-O 3.42Å; V387-Q396 PolarHBondContact N-O 3.02Å; V387-Q396 PolarHBondContact O-N 2.92Å; D389-Q396 PolarHBondContact OD2-NE2 3.01Å; R394-Q396 HydrophobicContact CG-CG 4.19Å; R394-Q396 VanDerWaalsContact CZ-CD 3.47Å; R394-Q396 VanDerWaalsContact NH2-NE2 3.15Å; Q396-F398 HydrophobicContact CB-CD2 4.3Å; Q396-F398 HydrophobicContact CB-CE2 3.46Å; Q396-F398 VanDerWaalsContact CB-CE2 3.46Å; Q396-F398 HydrophobicContact CB-CZ 3.95Å; Q396-F403 HydrophobicContact CB-CE2 4.32Å; Q396-F403 HydrophobicContact CG-CE2 4.12Å; Q396-E406 HydrophobicContact CG-CB 4.45Å
397V92.3Very high87.3Confident0 Ų047.7 Ų47.70%022%0.221CC..EExtended strand (participates in β ladder)trans-109.4126.5176.8-170.80000108.4E384 V385 L386 L404 K405 I407E384-V397 HydrophobicContact CB-CG1 4.3Å; V385-V397 CarbonylContact O-C 3.56Å; V385-V397 WeakPolarHBondContact O-CA 3.38Å; L386-V397 HydrophobicContact CG-CG2 4.32Å; V397-L404 HydrophobicContact CG1-CD2 4.23Å; V397-L404 WeakPolarHBondContact O-CB 3.11Å; V397-L404 PolarHBondContact O-N 3.22Å; V397-K405 HydrophobicContact CB-CG 3.86Å; V397-K405 HydrophobicContact CG2-CG 4Å; V397-K405 PolarHBondContact N-O 3.48Å; V397-K405 PolarHBondContact O-N 3Å; V397-I407 HydrophobicContact CG2-CD1 4.27Å
398F89.4Confident86.8Confident12 Ų1253.1 Ų53.15%0.05324%0.241CC..EExtended strand (participates in β ladder)trans-116.9145.8179.2-62.7-95.5000110.7F371 E384 V385 V387 Q396 G402 F403F371-F398 AromaticContact CE1-CE2 3.62Å; F371-F398 HydrophobicContact CE1-CE2 3.62Å; F371-F398 AromaticContact CE1-CZ 3.65Å; F371-F398 HydrophobicContact CE1-CZ 3.65Å; F371-F398 HydrophobicContact CE2-CZ 4.36Å; F371-F398 HydrophobicContact CZ-CE1 4.3Å; F371-F398 AromaticContact CZ-CE2 3.46Å; F371-F398 HydrophobicContact CZ-CE2 3.46Å; F371-F398 VanDerWaalsContact CZ-CE2 3.46Å; F371-F398 AromaticContact CZ-CZ 3.33Å; F371-F398 HydrophobicContact CZ-CZ 3.33Å; E384-F398 CarbonylContact C-O 3.58Å; E384-F398 VanDerWaalsContact CA-O 3.23Å; E384-F398 WeakPolarHBondContact CA-O 3.46Å; V385-F398 HydrophobicContact CB-CB 4.21Å; V385-F398 PolarHBondContact N-O 3.08Å; V385-F398 PolarHBondContact O-N 3.27Å; V387-F398 HydrophobicContact CB-CE2 4.37Å; V387-F398 HydrophobicContact CG2-CD2 3.92Å; V387-F398 HydrophobicContact CG2-CE2 3.82Å; Q396-F398 HydrophobicContact CB-CD2 4.3Å; Q396-F398 HydrophobicContact CB-CE2 3.46Å; Q396-F398 VanDerWaalsContact CB-CE2 3.46Å; Q396-F398 HydrophobicContact CB-CZ 3.95Å; F398-G402 WeakPolarHBondContact CA-O 3.22Å; F398-F403 HydrophobicContact CD1-CB 4.19Å; F398-F403 HydrophobicContact CE1-CB 4Å; F398-F403 HydrophobicContact CE1-CD2 4.21Å; F398-F403 HydrophobicContact CZ-CD2 4.3Å
399T85.9Confident85.9Confident39 Ų3957.2 Ų57.224%0.23926%0.256CS..EExtended strand (participates in β ladder)trans-113.2179.5168.165.10000109.3E384 K401 G402 L404E384-T399 HydrophobicContact CG-CG2 4.38Å; T399-K401 PolarHBondContact O-N 3.44Å; T399-K401 VanDerWaalsContact O-N 3.12Å; T399-K401 PolarHBondContact OG1-N 3.41Å; T399-G402 PolarHBondContact N-O 3.45Å; T399-G402 PolarHBondContact O-N 2.89Å; T399-G402 PolarHBondContact OG1-O 2.99Å; T399-L404 HydrophobicContact CG2-CB 3.94Å; T399-L404 HydrophobicContact CG2-CD1 4.14Å; T399-L404 HydrophobicContact CG2-CD2 3.78Å; T399-L404 HydrophobicContact CG2-CG 4.16Å
400R75.5Confident84.6Confident170 Ų17059.4 Ų59.464%0.64227%0.272SS*.THydrogen-bonded Turntrans-58.9-22.6171.4-62.6-173.6-174.9157.511.6113.6G402R400-G402 VanDerWaalsContact C-N 3.34Å
401K71.5Confident83.1Confident210 Ų21059.8 Ų59.891%0.91329%0.287SS*.THydrogen-bonded Turntrans-85-6.5178.4-62.8-177179.6179.90113.1T399T399-K401 PolarHBondContact O-N 3.44Å; T399-K401 VanDerWaalsContact O-N 3.12Å; T399-K401 PolarHBondContact OG1-N 3.41Å
402G78.4Confident81.6Confident31 Ų3164.1 Ų64.132%0.3231%0.314SS..EExtended strand (participates in β ladder)trans117.8-155.3-177.300000112.5F398 T399 R400 L404F398-G402 WeakPolarHBondContact CA-O 3.22Å; T399-G402 PolarHBondContact N-O 3.45Å; T399-G402 PolarHBondContact O-N 2.89Å; T399-G402 PolarHBondContact OG1-O 2.99Å; R400-G402 VanDerWaalsContact C-N 3.34Å; G402-L404 PolarHBondContact O-N 3Å
403F86.6Confident80Confident71 Ų7163.6 Ų63.631%0.31131%0.313SS..EExtended strand (participates in β ladder)trans-57.8130.8177175-91.7000110.7P368 Q396 F398 K405 E406P368-F403 HydrophobicContact CB-CD1 3.69Å; P368-F403 HydrophobicContact CB-CD2 4.02Å; P368-F403 HydrophobicContact CB-CE1 3.66Å; P368-F403 HydrophobicContact CB-CE2 3.98Å; P368-F403 HydrophobicContact CB-CG 3.86Å; P368-F403 HydrophobicContact CB-CZ 3.79Å; P368-F403 HydrophobicContact CG-CE1 4.31Å; P368-F403 HydrophobicContact CG-CZ 4.38Å; Q396-F403 HydrophobicContact CB-CE2 4.32Å; Q396-F403 HydrophobicContact CG-CE2 4.12Å; F398-F403 HydrophobicContact CD1-CB 4.19Å; F398-F403 HydrophobicContact CE1-CB 4Å; F398-F403 HydrophobicContact CE1-CD2 4.21Å; F398-F403 HydrophobicContact CZ-CD2 4.3Å; F403-K405 WeakPolarHBondContact CE2-O 3.26Å; F403-E406 HydrophobicContact CE2-CB 4.16Å; F403-E406 HydrophobicContact CZ-CB 3.98Å; F403-E406 HydrophobicContact CZ-CG 4.16Å
404L85.8Confident78.7Confident83 Ų8358.7 Ų58.744%0.43530%0.295SS..EExtended strand (participates in β ladder)trans-103.4-55.6177.2-179.669.9000110.9V397 T399 G402V397-L404 HydrophobicContact CG1-CD2 4.23Å; V397-L404 WeakPolarHBondContact O-CB 3.11Å; V397-L404 PolarHBondContact O-N 3.22Å; T399-L404 HydrophobicContact CG2-CB 3.94Å; T399-L404 HydrophobicContact CG2-CD1 4.14Å; T399-L404 HydrophobicContact CG2-CD2 3.78Å; T399-L404 HydrophobicContact CG2-CG 4.16Å; G402-L404 PolarHBondContact O-N 3Å
405K87.6Confident77.2Confident56 Ų5662.4 Ų62.424%0.24332%0.315CS..EExtended strand (participates in β ladder)trans-160.7163.7-175.458.6-176.8165.9-170.70111.5V397 F403 L457V397-K405 HydrophobicContact CB-CG 3.86Å; V397-K405 HydrophobicContact CG2-CG 4Å; V397-K405 PolarHBondContact N-O 3.48Å; V397-K405 PolarHBondContact O-N 3Å; F403-K405 WeakPolarHBondContact CE2-O 3.26Å; K405-L457 WeakPolarHBondContact CE-O 3.17Å; K405-L457 PolarHBondContact NZ-O 3.32Å
406E88.1Confident75.3Confident69 Ų6966.9 Ų66.932%0.32235%0.347SS..EExtended strand (participates in β ladder)trans-118.7140.5168.857.7175.9-155.700110.1R394 I395 Q396 F403 R408R394-E406 VanDerWaalsContact CD-OE2 3.23Å; R394-E406 WeakPolarHBondContact CD-OE2 3.45Å; R394-E406 IonicContact CZ-OE2 3.62Å; R394-E406 IonicContact NE-OE2 2.92Å; R394-E406 IonicContact NH1-OE2 3.3Å; R394-E406 PolarHBondContact NH1-OE2 3.48Å; I395-E406 CarbonylContact O-C 3.53Å; I395-E406 VanDerWaalsContact O-CA 3.29Å; I395-E406 WeakPolarHBondContact O-CA 3.33Å; Q396-E406 HydrophobicContact CG-CB 4.45Å; F403-E406 HydrophobicContact CE2-CB 4.16Å; F403-E406 HydrophobicContact CZ-CB 3.98Å; F403-E406 HydrophobicContact CZ-CG 4.16Å; E406-R408 VanDerWaalsContact CD-NH2 3.35Å; E406-R408 IonicContact OE1-CZ 2.76Å; E406-R408 IonicContact OE1-NE 3.08Å; E406-R408 PolarHBondContact OE1-NE 2.96Å; E406-R408 IonicContact OE1-NH2 3.81Å; E406-R408 PolarHBondContact OE1-NH2 2.94Å; E406-R408 IonicContact OE2-CZ 2.9Å; E406-R408 IonicContact OE2-NE 3.89Å; E406-R408 PolarHBondContact OE2-NE 2.85Å; E406-R408 IonicContact OE2-NH2 2.76Å; E406-R408 PolarHBondContact OE2-NH2 3.33Å
407I86Confident73.7Confident3 Ų371.2 Ų71.22%0.01537%0.366CS..EExtended strand (participates in β ladder)trans-103.6117.4172.4-60169000106.2I395 V397 I442 Y455I395-I407 HydrophobicContact CB-CB 4.27Å; I395-I407 PolarHBondContact N-O 3.35Å; I395-I407 PolarHBondContact O-N 3.13Å; V397-I407 HydrophobicContact CG2-CD1 4.27Å; I407-I442 HydrophobicContact CD1-CD1 3.51Å; I407-Y455 HydrophobicContact CG2-CD1 3.99Å; I407-Y455 HydrophobicContact CG2-CE1 4.45Å; I407-Y455 HydrophobicContact CG2-CG 4.17Å
408R83.1Confident71.9Confident114 Ų11471.5 Ų71.543%0.4337%0.368SS..  trans-123.4165.9173.3-64.2-171.8-172.1-152.94.4108.6R394 E406 S410R394-R408 HydrophobicContact CB-CG 3.82Å; E406-R408 VanDerWaalsContact CD-NH2 3.35Å; E406-R408 IonicContact OE1-CZ 2.76Å; E406-R408 IonicContact OE1-NE 3.08Å; E406-R408 PolarHBondContact OE1-NE 2.96Å; E406-R408 IonicContact OE1-NH2 3.81Å; E406-R408 PolarHBondContact OE1-NH2 2.94Å; E406-R408 IonicContact OE2-CZ 2.9Å; E406-R408 IonicContact OE2-NE 3.89Å; E406-R408 PolarHBondContact OE2-NE 2.85Å; E406-R408 IonicContact OE2-NH2 2.76Å; E406-R408 PolarHBondContact OE2-NH2 3.33Å; R408-S410 PolarHBondContact O-N 3.27Å
409R74.6Confident70.3Confident85 Ų8574.8 Ų74.832%0.32139%0.385SS..  trans-62.7122.9164.6-178.5-171.2169.5-168.15.4109.1L426R409-L426 PolarHBondContact NH1-O 3.41Å; R409-L426 PolarHBondContact NH2-O 3.35Å
410S64.1Low68.8Low46 Ų4677.2 Ų77.232%0.32240%0.403SS..  trans-119.6129.9165.9-179.70000109.8R408 S412 G413R408-S410 PolarHBondContact O-N 3.27Å; S410-S412 PolarHBondContact O-N 3.47Å; S410-S412 PolarHBondContact OG-N 3.06Å; S410-S412 PolarHBondContact OG-OG 2.99Å; S410-G413 PolarHBondContact O-N 3.21Å
411P57.4Low67.7Low104 Ų10476.7 Ų76.768%0.67541%0.406SS*.G310 helixtrans-57.5-29.3171.4-22.733000113.4
412S56Low66.8Low108 Ų10868.5 Ų68.576%0.75537%0.372SS*.G310 helixtrans-83.9-10.6175.858.60000114S410S410-S412 PolarHBondContact O-N 3.47Å; S410-S412 PolarHBondContact OG-N 3.06Å; S410-S412 PolarHBondContact OG-OG 2.99Å
413G54.5Low65.3Low9 Ų968.9 Ų68.99%0.09338%0.376CS..G310 helixtrans-102.111.4-177.400000114S410 H460 C461S410-G413 PolarHBondContact O-N 3.21Å; G413-H460 CarbonylContact O-C 3.55Å; G413-H460 WeakPolarHBondContact O-CA 3.32Å; G413-C461 PolarHBondContact O-N 3.26Å
414I60.5Low63.2Low22 Ų2269.9 Ų69.911%0.11340%0.398CS..BIsolated β-bridgetrans-97.1127.5176.4-57.7167.3000107.4V418 L419I414-V418 HydrophobicContact CG2-CB 3.73Å; I414-V418 HydrophobicContact CG2-CG1 3.69Å; I414-L419 HydrophobicContact CB-CD1 4.19Å; I414-L419 HydrophobicContact CB-CG 4.14Å; I414-L419 HydrophobicContact CG2-CD1 4.28Å; I414-L419 HydrophobicContact CG2-CG 3.81Å
415D58.2Low61.4Low78 Ų7872.7 Ų72.742%0.41741%0.413SS..  trans-59.9144176.6-157.9-26.7000110.9F417 V418 L419 C461D415-F417 PolarHBondContact O-N 3.42Å; D415-F417 VanDerWaalsContact O-N 3.11Å; D415-V418 HydrophobicContact CB-CG2 4.26Å; D415-V418 PolarHBondContact O-N 3.05Å; D415-L419 PolarHBondContact O-N 3.43Å; D415-L419 VanDerWaalsContact O-N 3.1Å; D415-C461 PolarHBondContact N-O 3.34Å
416S54.7Low59.8Low94 Ų9470.9 Ų70.966%0.65741%0.406SS*.Hα-helixtrans-56.4-30.3-178.4-175.50000112S420S416-S420 PolarHBondContact O-N 3.33Å
417F56.7Low58.3Low91 Ų9169 Ų6940%0.39940%0.4SS..Hα-helixtrans-66.3-43.4175-176.5-104.2000111.9D415 S420 F421 S502D415-F417 PolarHBondContact O-N 3.42Å; D415-F417 VanDerWaalsContact O-N 3.11Å; F417-S420 PolarHBondContact O-N 3.06Å; F417-S420 PolarHBondContact O-OG 3.43Å; F417-F421 HydrophobicContact CE2-CE2 4.17Å; F417-F421 HydrophobicContact CZ-CD2 4.31Å; F417-F421 AromaticContact CZ-CE2 3.97Å; F417-F421 HydrophobicContact CZ-CE2 3.97Å; F417-S502 WeakPolarHBondContact CE1-O 3.44Å
418V55.2Low57.3Low7 Ų773.6 Ų73.64%0.04242%0.424CS..Hα-helixtrans-71.4-34.6-178.21790000111.5I414 D415 S420 F421 L422 V462I414-V418 HydrophobicContact CG2-CB 3.73Å; I414-V418 HydrophobicContact CG2-CG1 3.69Å; D415-V418 HydrophobicContact CB-CG2 4.26Å; D415-V418 PolarHBondContact O-N 3.05Å; V418-S420 VanDerWaalsContact C-N 3.29Å; V418-S420 PolarHBondContact O-N 2.95Å; V418-F421 PolarHBondContact O-N 3.35Å; V418-L422 HydrophobicContact CG1-CD1 3.41Å; V418-L422 VanDerWaalsContact CG1-CD1 3.41Å; V418-L422 PolarHBondContact O-N 3.11Å; V418-V462 WeakPolarHBondContact CG2-O 3.35Å
419L56.4Low57.2Low81 Ų8168.3 Ų68.342%0.42441%0.405SS..Hα-helixtrans-60.8-34.5172-86.9153000113I414 D415 F421I414-L419 HydrophobicContact CB-CD1 4.19Å; I414-L419 HydrophobicContact CB-CG 4.14Å; I414-L419 HydrophobicContact CG2-CD1 4.28Å; I414-L419 HydrophobicContact CG2-CG 3.81Å; D415-L419 PolarHBondContact O-N 3.43Å; D415-L419 VanDerWaalsContact O-N 3.1Å; L419-F421 VanDerWaalsContact C-N 3.35Å
420S53.6Low57.8Low89 Ų8964.7 Ų64.762%0.62239%0.392SS*.Hα-helixtrans-71.4-27.8179.875.70000113.6S416 F417 V418S416-S420 PolarHBondContact O-N 3.33Å; F417-S420 PolarHBondContact O-N 3.06Å; F417-S420 PolarHBondContact O-OG 3.43Å; V418-S420 VanDerWaalsContact C-N 3.29Å; V418-S420 PolarHBondContact O-N 2.95Å
421F52.5Low59Low160 Ų16062.5 Ų62.570%0.70238%0.377SS*.Hα-helixtrans-93.7-28.5-176.4-96.7-89.8000114.4F417 V418 L419F417-F421 HydrophobicContact CE2-CE2 4.17Å; F417-F421 HydrophobicContact CZ-CD2 4.31Å; F417-F421 AromaticContact CZ-CE2 3.97Å; F417-F421 HydrophobicContact CZ-CE2 3.97Å; V418-F421 PolarHBondContact O-N 3.35Å; L419-F421 VanDerWaalsContact C-N 3.35Å
422L53.2Low60.5Low37 Ų3758.4 Ų58.419%0.19435%0.349CS..Hα-helixtrans-103.8-11-171.7-66.4163.7000114.4V418 L426 C464V418-L422 HydrophobicContact CG1-CD1 3.41Å; V418-L422 VanDerWaalsContact CG1-CD1 3.41Å; V418-L422 PolarHBondContact O-N 3.11Å; L422-L426 HydrophobicContact CB-CD1 3.42Å; L422-L426 VanDerWaalsContact CB-CD1 3.42Å; L422-L426 HydrophobicContact CB-CG 4.39Å; L422-L426 HydrophobicContact CD1-CD1 3.74Å; L422-L426 HydrophobicContact CD1-CD2 3.99Å; L422-L426 HydrophobicContact CD1-CG 4.23Å; L422-L426 HydrophobicContact CG-CD1 4.15Å; L422-C464 HydrophobicContact CD1-CB 3.44Å; L422-C464 VanDerWaalsContact CD1-CB 3.44Å; L422-C464 HydrophobicContact CD2-CB 4.36Å; L422-C464 HydrophobicContact CG-CB 4.48Å
423G46.6Very low62.1Low40 Ų4053.9 Ų53.941%0.41232%0.317SS..  trans63.9174.7-173.300000112.6D425G423-D425 PolarHBondContact O-N 3.44Å
424A42.4Very low64Low92 Ų9253.6 Ų53.676%0.7631%0.314SS*.SBendtrans-66-6.9-172.900000115.3
425D47.5Very low65.6Low142 Ų14252.6 Ų52.676%0.75931%0.309SS*.  trans-111.970.5-173.6-69.9-31.7000112.4G423G423-D425 PolarHBondContact O-N 3.44Å
426L54.6Low67.2Low18 Ų1849.6 Ų49.69%0.09429%0.292CS..  trans-81.5145.1152.7-83.688.2000109.4R409 L422R409-L426 PolarHBondContact NH1-O 3.41Å; R409-L426 PolarHBondContact NH2-O 3.35Å; L422-L426 HydrophobicContact CB-CD1 3.42Å; L422-L426 VanDerWaalsContact CB-CD1 3.42Å; L422-L426 HydrophobicContact CB-CG 4.39Å; L422-L426 HydrophobicContact CD1-CD1 3.74Å; L422-L426 HydrophobicContact CD1-CD2 3.99Å; L422-L426 HydrophobicContact CD1-CG 4.23Å; L422-L426 HydrophobicContact CG-CD1 4.15Å
427P55.6Low69Low28 Ų2845.5 Ų45.518%0.18226%0.263CS..  trans-86.5175.7167.430.5-29.1000112.8Y448 D449 R466P427-Y448 HydrophobicContact CB-CD1 3.38Å; P427-Y448 HydrophobicContact CB-CE1 3.12Å; P427-Y448 HydrophobicContact CG-CD1 3.41Å; P427-Y448 VanDerWaalsContact CG-CD1 3.41Å; P427-Y448 HydrophobicContact CG-CE1 3.5Å; P427-D449 HydrophobicContact CG-CB 3.73Å; P427-R466 VanDerWaalsContact CD-NH2 3.32Å
428N66.8Low70.5Confident100 Ų10045.9 Ų45.954%0.53528%0.276SS..  trans-60.2148.4179.1-70.3-22.2000112.1T430N428-T430 PolarHBondContact O-N 3.03Å
429L80.6Confident72Confident3 Ų350 Ų502%0.01630%0.295CS..  trans-72.1115.1177.7-178.863.5000110Y393 I395 P431 V444 D446 K453 Y455Y393-L429 CarbonylContact C-O 3.57Å; Y393-L429 WeakPolarHBondContact CA-O 3.48Å; Y393-L429 VanDerWaalsContact CB-O 3.3Å; Y393-L429 WeakPolarHBondContact CB-O 3.03Å; I395-L429 HydrophobicContact CD1-CD2 4.28Å; I395-L429 HydrophobicContact CG1-CD2 4.49Å; L429-P431 WeakPolarHBondContact O-CD 3.4Å; L429-V444 HydrophobicContact CD1-CG1 4.15Å; L429-D446 WeakPolarHBondContact CA-OD2 3.41Å; L429-K453 HydrophobicContact CD1-CD 3.87Å; L429-Y455 HydrophobicContact CD1-CE2 4.19Å; L429-Y455 HydrophobicContact CD2-CE2 4.26Å
430T86.3Confident73.5Confident9 Ų947 Ų476%0.05528%0.283CS..  trans-111.381.9170.965.60000110.6Y393 N428 L432 D446 S447 Y448Y393-T430 HydrophobicContact CD1-CG2 3.65Å; Y393-T430 HydrophobicContact CE1-CG2 3.69Å; N428-T430 PolarHBondContact O-N 3.03Å; T430-L432 PolarHBondContact O-N 2.94Å; T430-D446 PolarHBondContact N-OD1 2.9Å; T430-D446 PolarHBondContact N-OD2 2.9Å; T430-D446 VanDerWaalsContact N-OD2 3.14Å; T430-D446 WeakPolarHBondContact O-CA 3.38Å; T430-D446 PolarHBondContact OG1-OD1 3.36Å; T430-S447 PolarHBondContact O-N 3.39Å; T430-S447 PolarHBondContact OG1-N 3.28Å; T430-S447 PolarHBondContact OG1-OG 3.47Å; T430-Y448 WeakPolarHBondContact OG1-CB 3.23Å; T430-Y448 PolarHBondContact OG1-N 3.49Å
431P89.3Confident75.2Confident0 Ų042.7 Ų42.70%025%0.253CS..EExtended strand (participates in β ladder)trans-69.5132.7-171.331.6-34.7000110.5V375 A388 I395 L429 V444 T445V375-P431 VanDerWaalsContact CG2-O 3.27Å; V375-P431 WeakPolarHBondContact CG2-O 3.39Å; A388-P431 HydrophobicContact CB-CB 3.9Å; A388-P431 HydrophobicContact CB-CG 4.14Å; I395-P431 HydrophobicContact CG1-CB 4.26Å; I395-P431 HydrophobicContact CG1-CG 4.42Å; L429-P431 WeakPolarHBondContact O-CD 3.4Å; P431-V444 HydrophobicContact CB-CG1 3.65Å; P431-T445 WeakPolarHBondContact CA-O 3.44Å
432L88.9Confident77.1Confident19 Ų1935.1 Ų35.110%0.09922%0.22CC..EExtended strand (participates in β ladder)trans-101.5-48.8171.6-75.3-174.5000112.2V375 S376 T430 T445 P472 W473V375-L432 VanDerWaalsContact CG2-O 3.25Å; V375-L432 WeakPolarHBondContact CG2-O 3.32Å; S376-L432 WeakPolarHBondContact CB-O 3.48Å; T430-L432 PolarHBondContact O-N 2.94Å; L432-T445 PolarHBondContact N-O 2.88Å; L432-P472 WeakPolarHBondContact CD1-O 3.43Å; L432-W473 HydrophobicContact CD1-CD2 4.29Å; L432-W473 HydrophobicContact CD1-CE3 4.36Å; L432-W473 HydrophobicContact CD1-CG 4.41Å
433S90.9Very high78.9Confident12 Ų1233.3 Ų33.38%0.08421%0.211CC..EExtended strand (participates in β ladder)trans-138.8148.6-178.8-168.70000110V444 T445 W473 I475S433-V444 WeakPolarHBondContact O-CA 3.3Å; S433-T445 WeakPolarHBondContact CB-OG1 3.32Å; S433-T445 PolarHBondContact N-OG1 2.9Å; S433-T445 PolarHBondContact O-N 3.2Å; S433-T445 VanDerWaalsContact O-N 3.15Å; S433-T445 PolarHBondContact O-OG1 2.95Å; S433-W473 WeakPolarHBondContact CB-O 3.28Å; S433-I475 PolarHBondContact OG-N 2.75Å
434V93.4Very high81.1Confident3 Ų331.4 Ų31.42%0.01819%0.191CC..EExtended strand (participates in β ladder)trans-132.1136.5-177.262.60000110S376 Y378 L386 A388 I442 G443S376-V434 PolarHBondContact OG-N 2.8Å; Y378-V434 WeakPolarHBondContact CB-O 3.2Å; L386-V434 HydrophobicContact CB-CG1 4.37Å; L386-V434 HydrophobicContact CB-CG2 4.26Å; L386-V434 HydrophobicContact CD2-CG2 4.07Å; A388-V434 HydrophobicContact CB-CG1 4.31Å; V434-I442 HydrophobicContact CG2-CG2 3.58Å; V434-G443 WeakPolarHBondContact CA-O 3.46Å
435A93.8Very high83.4Confident1 Ų127 Ų271%0.00816%0.155CC..EExtended strand (participates in β ladder)trans-144.5153.9172.500000110.3Y378 I442 G443 I475 A477Y378-A435 HydrophobicContact CD2-CB 4.3Å; Y378-A435 HydrophobicContact CE2-CB 4.4Å; A435-I442 CarbonylContact O-C 3.58Å; A435-I442 WeakPolarHBondContact O-CA 3.01Å; A435-G443 PolarHBondContact N-O 3.48Å; A435-G443 PolarHBondContact O-N 2.94Å; A435-I475 HydrophobicContact CB-CG1 4.25Å; A435-I475 HydrophobicContact CB-CG2 3.96Å; A435-A477 HydrophobicContact CB-CB 4.48Å
436M92.6Very high85.3Confident15 Ų1520.3 Ų20.37%0.07412%0.119CC..EExtended strand (participates in β ladder)trans-120.8135.3175.8-167.3-175.7-64.600110.5Y378 T380 L386 L441 I442 L457 A477Y378-M436 HydrophobicContact CD1-CB 4.02Å; Y378-M436 HydrophobicContact CE1-CB 3.56Å; Y378-M436 PolarHBondContact OH-O 3.12Å; Y378-M436 VanDerWaalsContact OH-O 3.08Å; T380-M436 HydrophobicContact CG2-CE 3.33Å; T380-M436 HydrophobicContact CG2-SD 3.61Å; L386-M436 HydrophobicContact CD1-CE 3.56Å; L386-M436 HydrophobicContact CD2-CE 3.58Å; L386-M436 HydrophobicContact CG-CE 4.21Å; M436-L441 CarbonylContact C-O 3.31Å; M436-L441 VanDerWaalsContact CA-O 3.27Å; M436-L441 WeakPolarHBondContact CA-O 3.44Å; M436-L441 WeakPolarHBondContact CG-O 3.2Å; M436-I442 HydrophobicContact CE-CD1 4.1Å; M436-I442 HydrophobicContact CE-CG1 3.74Å; M436-I442 HydrophobicContact CG-CG1 4.28Å; M436-L457 HydrophobicContact CE-CD2 3.65Å; M436-L457 HydrophobicContact CE-CG 4.49Å; M436-L457 HydrophobicContact SD-CD2 4.4Å; M436-A477 VanDerWaalsContact O-CB 3.25Å; M436-A477 WeakPolarHBondContact O-CB 3.32Å
437N91.4Very high86.5Confident8 Ų821 Ų214%0.04313%0.125CC..  trans-87.5170.6175.476.8-1.1000112.2Q439 G440 L441 A477 G481 F483N437-Q439 PolarHBondContact O-N 3.13Å; N437-Q439 VanDerWaalsContact O-N 3.11Å; N437-Q439 WeakPolarHBondContact OD1-CA 3.46Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.4Å; N437-Q439 PolarHBondContact OD1-N 2.75Å; N437-Q439 VanDerWaalsContact OD1-N 3.1Å; N437-G440 PolarHBondContact O-N 3.27Å; N437-G440 PolarHBondContact OD1-N 3.14Å; N437-G440 VanDerWaalsContact OD1-N 3.17Å; N437-L441 PolarHBondContact N-O 3.39Å; N437-L441 WeakPolarHBondContact OD1-CB 3.42Å; N437-L441 PolarHBondContact OD1-N 3.31Å; N437-L441 PolarHBondContact OD1-O 3.35Å; N437-A477 HydrophobicContact CB-CB 3.94Å; N437-G481 PolarHBondContact ND2-O 3.48Å; N437-G481 VanDerWaalsContact ND2-O 3.09Å; N437-F483 HydrophobicContact CB-CE1 4.08Å; N437-F483 HydrophobicContact CB-CE2 4.33Å; N437-F483 HydrophobicContact CB-CZ 3.76Å
438C88.1Confident87.6Confident99 Ų9927.2 Ų27.267%0.66915%0.146SC*.THydrogen-bonded Turntrans-63.2-15.3178.758.50000114.1
439Q87.4Confident88.2Confident94 Ų9423.7 Ų23.744%0.43913%0.127SC..THydrogen-bonded Turntrans-88.30174.9-57.8176.2-22.900112.9N437 R500N437-Q439 PolarHBondContact O-N 3.13Å; N437-Q439 VanDerWaalsContact O-N 3.11Å; N437-Q439 WeakPolarHBondContact OD1-CA 3.46Å; N437-Q439 WeakPolarHBondContact OD1-CB 3.4Å; N437-Q439 PolarHBondContact OD1-N 2.75Å; N437-Q439 VanDerWaalsContact OD1-N 3.1Å; Q439-R500 PolarHBondContact O-NH2 2.97Å
440G87.6Confident88.4Confident17 Ų1726.5 Ų26.518%0.17514%0.142CC..SBendtrans76.120.5-178.400000114.5N437N437-G440 PolarHBondContact O-N 3.27Å; N437-G440 PolarHBondContact OD1-N 3.14Å; N437-G440 VanDerWaalsContact OD1-N 3.17Å
441L90.6Very high88.4Confident0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-88.8139169-60.5177.2000109.8M436 N437 V454 T456 V462 F483 V498 R500M436-L441 CarbonylContact C-O 3.31Å; M436-L441 VanDerWaalsContact CA-O 3.27Å; M436-L441 WeakPolarHBondContact CA-O 3.44Å; M436-L441 WeakPolarHBondContact CG-O 3.2Å; N437-L441 PolarHBondContact N-O 3.39Å; N437-L441 WeakPolarHBondContact OD1-CB 3.42Å; N437-L441 PolarHBondContact OD1-N 3.31Å; N437-L441 PolarHBondContact OD1-O 3.35Å; L441-V454 HydrophobicContact CB-CG1 3.88Å; L441-V454 HydrophobicContact CD1-CG1 4.38Å; L441-T456 HydrophobicContact CD2-CG2 4.31Å; L441-V462 HydrophobicContact CD2-CG2 4.38Å; L441-F483 HydrophobicContact CB-CZ 4.33Å; L441-V498 HydrophobicContact CD1-CG1 4.49Å; L441-R500 HydrophobicContact CD1-CG 4.16Å; L441-R500 HydrophobicContact CD2-CG 4.11Å
442I91.7Very high88.4Confident0 Ų026 Ų260%014%0.139CC..EExtended strand (participates in β ladder)trans-104.6109.8-179.1-58.4167.1000108.1L386 I407 V434 A435 M436 V444 V454 Y455 L457L386-I442 HydrophobicContact CD2-CD1 3.64Å; L386-I442 HydrophobicContact CD2-CG1 3.82Å; L386-I442 HydrophobicContact CD2-CG2 3.89Å; I407-I442 HydrophobicContact CD1-CD1 3.51Å; V434-I442 HydrophobicContact CG2-CG2 3.58Å; A435-I442 CarbonylContact O-C 3.58Å; A435-I442 WeakPolarHBondContact O-CA 3.01Å; M436-I442 HydrophobicContact CE-CD1 4.1Å; M436-I442 HydrophobicContact CE-CG1 3.74Å; M436-I442 HydrophobicContact CG-CG1 4.28Å; I442-V444 HydrophobicContact CG2-CG2 3.91Å; I442-V454 CarbonylContact O-C 3.55Å; I442-V454 VanDerWaalsContact O-CA 3.3Å; I442-V454 WeakPolarHBondContact O-CA 3.36Å; I442-Y455 PolarHBondContact N-O 2.92Å; I442-Y455 PolarHBondContact O-N 3.34Å; I442-L457 HydrophobicContact CD1-CD2 4.17Å
443G91.9Very high88.4Confident0 Ų025.2 Ų25.20%014%0.135CC..EExtended strand (participates in β ladder)trans-84.6136.6170.500000110.7V434 A435V434-G443 WeakPolarHBondContact CA-O 3.46Å; A435-G443 PolarHBondContact N-O 3.48Å; A435-G443 PolarHBondContact O-N 2.94Å
444V91.8Very high88.3Confident0 Ų024.7 Ų24.70%013%0.131CC..EExtended strand (participates in β ladder)trans-137.6126.6-176.5-1720000109.1I395 L429 P431 S433 I442 K453 Y455I395-V444 HydrophobicContact CD1-CB 4.21Å; I395-V444 HydrophobicContact CD1-CG1 3.88Å; I395-V444 HydrophobicContact CD1-CG2 3.25Å; L429-V444 HydrophobicContact CD1-CG1 4.15Å; P431-V444 HydrophobicContact CB-CG1 3.65Å; S433-V444 WeakPolarHBondContact O-CA 3.3Å; I442-V444 HydrophobicContact CG2-CG2 3.91Å; V444-K453 PolarHBondContact N-O 2.94Å; V444-K453 PolarHBondContact O-N 3.26Å; V444-Y455 HydrophobicContact CB-CD2 4.46Å; V444-Y455 HydrophobicContact CB-CE2 4.34Å; V444-Y455 HydrophobicContact CG2-CD2 3.76Å; V444-Y455 HydrophobicContact CG2-CE2 4.06Å
445T90.7Very high88Confident0 Ų025 Ų250%013%0.132CC..EExtended strand (participates in β ladder)trans-88.4132.3170.9500000110P431 L432 S433 P472 W473 I475 V485P431-T445 WeakPolarHBondContact CA-O 3.44Å; L432-T445 PolarHBondContact N-O 2.88Å; S433-T445 WeakPolarHBondContact CB-OG1 3.32Å; S433-T445 PolarHBondContact N-OG1 2.9Å; S433-T445 PolarHBondContact O-N 3.2Å; S433-T445 VanDerWaalsContact O-N 3.15Å; S433-T445 PolarHBondContact O-OG1 2.95Å; T445-P472 HydrophobicContact CG2-CB 4.07Å; T445-W473 PolarHBondContact OG1-O 3.42Å; T445-I475 HydrophobicContact CG2-CB 3.99Å; T445-I475 HydrophobicContact CG2-CG2 4.37Å; T445-V485 HydrophobicContact CG2-CG1 3.8Å; T445-V485 HydrophobicContact CG2-CG2 4.44Å
446D87.6Confident87.6Confident0 Ų026.1 Ų26.10%014%0.139CC..EExtended strand (participates in β ladder)trans-114.4121.3-178.3-165.2-30000111L429 T430 Y448 D449 N450 S451 K453L429-D446 WeakPolarHBondContact CA-OD2 3.41Å; T430-D446 PolarHBondContact N-OD1 2.9Å; T430-D446 PolarHBondContact N-OD2 2.9Å; T430-D446 VanDerWaalsContact N-OD2 3.14Å; T430-D446 WeakPolarHBondContact O-CA 3.38Å; T430-D446 PolarHBondContact OG1-OD1 3.36Å; D446-Y448 PolarHBondContact OD1-N 3.12Å; D446-D449 WeakPolarHBondContact CB-OD1 3.17Å; D446-D449 VanDerWaalsContact CG-OD1 3.29Å; D446-N450 WeakPolarHBondContact O-CA 3.27Å; D446-N450 PolarHBondContact O-N 3.06Å; D446-S451 PolarHBondContact N-O 3.03Å; D446-S451 PolarHBondContact O-N 2.74Å; D446-K453 HydrophobicContact CB-CD 4.39Å; D446-K453 IonicContact OD2-NZ 3.49Å; D446-K453 PolarHBondContact OD2-NZ 3.49Å
447S78.9Confident87.2Confident32 Ų3227.7 Ų27.722%0.22415%0.147CC..THydrogen-bonded Turntrans-76.9-20.1-178.959.60000115T430T430-S447 PolarHBondContact O-N 3.39Å; T430-S447 PolarHBondContact OG1-N 3.28Å; T430-S447 PolarHBondContact OG1-OG 3.47Å
448Y80.4Confident86.6Confident160 Ų16033.3 Ų33.363%0.62718%0.178SC*.THydrogen-bonded Turntrans-81.3-42.9-171.6-179.6-84.4000111.1P427 T430 D446P427-Y448 HydrophobicContact CB-CD1 3.38Å; P427-Y448 HydrophobicContact CB-CE1 3.12Å; P427-Y448 HydrophobicContact CG-CD1 3.41Å; P427-Y448 VanDerWaalsContact CG-CD1 3.41Å; P427-Y448 HydrophobicContact CG-CE1 3.5Å; T430-Y448 WeakPolarHBondContact OG1-CB 3.23Å; T430-Y448 PolarHBondContact OG1-N 3.49Å; D446-Y448 PolarHBondContact OD1-N 3.12Å
449D78.9Confident86.1Confident25 Ų2529.3 Ų29.313%0.13415%0.153CC..THydrogen-bonded Turntrans-112.114.5179.664.6-2.9000113.5P427 D446 S451 K453 R466P427-D449 HydrophobicContact CG-CB 3.73Å; D446-D449 WeakPolarHBondContact CB-OD1 3.17Å; D446-D449 VanDerWaalsContact CG-OD1 3.29Å; D449-S451 VanDerWaalsContact C-N 3.29Å; D449-S451 VanDerWaalsContact CG-OG 3.24Å; D449-S451 PolarHBondContact O-N 3.02Å; D449-S451 VanDerWaalsContact OD1-CB 3.31Å; D449-S451 WeakPolarHBondContact OD1-CB 3.31Å; D449-S451 PolarHBondContact OD1-OG 2.99Å; D449-S451 PolarHBondContact OD2-OG 3.4Å; D449-K453 IonicContact OD1-NZ 3.37Å; D449-K453 PolarHBondContact OD1-NZ 3.31Å; D449-K453 VanDerWaalsContact OD2-CE 3.27Å; D449-K453 WeakPolarHBondContact OD2-CE 3.48Å; D449-K453 IonicContact OD2-NZ 2.72Å; D449-K453 PolarHBondContact OD2-NZ 2.99Å; D449-R466 IonicContact OD2-CZ 2.66Å; D449-R466 IonicContact OD2-NE 3.89Å; D449-R466 PolarHBondContact OD2-NE 3.14Å; D449-R466 IonicContact OD2-NH2 2.78Å; D449-R466 PolarHBondContact OD2-NH2 3.43Å
450N85.2Confident85.8Confident62 Ų6229.3 Ų29.333%0.33215%0.153SC..THydrogen-bonded Turntrans4750.7179.7-66.2-35.9000112.3D446D446-N450 WeakPolarHBondContact O-CA 3.27Å; D446-N450 PolarHBondContact O-N 3.06Å
451S86.3Confident85.5Confident0 Ų028.8 Ų28.80%015%0.146CC..EExtended strand (participates in β ladder)trans-124.9153.4-171.675.50000113.3D446 D449 K453 H465 R466D446-S451 PolarHBondContact N-O 3.03Å; D446-S451 PolarHBondContact O-N 2.74Å; D449-S451 VanDerWaalsContact C-N 3.29Å; D449-S451 VanDerWaalsContact CG-OG 3.24Å; D449-S451 PolarHBondContact O-N 3.02Å; D449-S451 VanDerWaalsContact OD1-CB 3.31Å; D449-S451 WeakPolarHBondContact OD1-CB 3.31Å; D449-S451 PolarHBondContact OD1-OG 2.99Å; D449-S451 PolarHBondContact OD2-OG 3.4Å; S451-K453 VanDerWaalsContact OG-CE 3.23Å; S451-K453 WeakPolarHBondContact OG-CE 3.46Å; S451-H465 CarbonylContact C-O 3.47Å; S451-H465 VanDerWaalsContact CA-O 3.28Å; S451-H465 WeakPolarHBondContact CA-O 3.2Å; S451-H465 WeakPolarHBondContact CB-O 3.27Å; S451-R466 VanDerWaalsContact CB-CG 3.46Å
452L89.1Confident85.1Confident0 Ų029.2 Ų29.20%015%0.149CC..EExtended strand (participates in β ladder)trans-95.6117.8162.7172.165.1000108.2V454 C464 H465 L469 I475 V485 F496L452-V454 HydrophobicContact CG-CG2 4.45Å; L452-C464 CarbonylContact O-C 3.59Å; L452-C464 WeakPolarHBondContact O-CA 3.41Å; L452-H465 HydrophobicContact CB-CB 4.42Å; L452-H465 PolarHBondContact N-O 3.3Å; L452-H465 PolarHBondContact O-N 2.97Å; L452-L469 HydrophobicContact CB-CD1 4.14Å; L452-I475 HydrophobicContact CD1-CD1 3.43Å; L452-I475 VanDerWaalsContact CD1-CD1 3.43Å; L452-V485 HydrophobicContact CD1-CG2 3.98Å; L452-V485 HydrophobicContact CD2-CG2 4.07Å; L452-F496 HydrophobicContact CD2-CB 4.04Å; L452-F496 HydrophobicContact CD2-CD1 4.16Å; L452-F496 HydrophobicContact CD2-CD2 3.61Å; L452-F496 HydrophobicContact CD2-CE2 4.03Å; L452-F496 HydrophobicContact CD2-CG 3.67Å
453K87.6Confident84.5Confident2 Ų229.4 Ų29.41%0.00915%0.15CC..EExtended strand (participates in β ladder)trans-110.6136.4175.3-69.4170.1-179.8158.10109.6L429 V444 D446 D449 S451 Y455 A463 C464L429-K453 HydrophobicContact CD1-CD 3.87Å; V444-K453 PolarHBondContact N-O 2.94Å; V444-K453 PolarHBondContact O-N 3.26Å; D446-K453 HydrophobicContact CB-CD 4.39Å; D446-K453 IonicContact OD2-NZ 3.49Å; D446-K453 PolarHBondContact OD2-NZ 3.49Å; D449-K453 IonicContact OD1-NZ 3.37Å; D449-K453 PolarHBondContact OD1-NZ 3.31Å; D449-K453 VanDerWaalsContact OD2-CE 3.27Å; D449-K453 WeakPolarHBondContact OD2-CE 3.48Å; D449-K453 IonicContact OD2-NZ 2.72Å; D449-K453 PolarHBondContact OD2-NZ 2.99Å; S451-K453 VanDerWaalsContact OG-CE 3.23Å; S451-K453 WeakPolarHBondContact OG-CE 3.46Å; K453-Y455 HydrophobicContact CB-CD2 4.38Å; K453-Y455 HydrophobicContact CB-CE2 3.59Å; K453-A463 CarbonylContact C-O 3.52Å; K453-A463 WeakPolarHBondContact CA-O 3.38Å; K453-C464 HydrophobicContact CG-CB 4.46Å
454V88.9Confident84.1Confident0 Ų030.6 Ų30.60%016%0.159CC..EExtended strand (participates in β ladder)trans-118.7123.8-179.9-173.60000109.4L441 I442 L452 V462 A463 F483 V498L441-V454 HydrophobicContact CB-CG1 3.88Å; L441-V454 HydrophobicContact CD1-CG1 4.38Å; I442-V454 CarbonylContact O-C 3.55Å; I442-V454 VanDerWaalsContact O-CA 3.3Å; I442-V454 WeakPolarHBondContact O-CA 3.36Å; L452-V454 HydrophobicContact CG-CG2 4.45Å; V454-V462 PolarHBondContact O-N 2.94Å; V454-A463 HydrophobicContact CB-CB 4.06Å; V454-A463 HydrophobicContact CG2-CB 4.18Å; V454-A463 PolarHBondContact N-O 3.48Å; V454-A463 PolarHBondContact O-N 3.03Å; V454-F483 HydrophobicContact CG1-CE2 4.32Å; V454-V498 HydrophobicContact CB-CG1 4.38Å; V454-V498 HydrophobicContact CG1-CG1 4.21Å; V454-V498 HydrophobicContact CG2-CG1 4.22Å; V454-V498 HydrophobicContact CG2-CG2 4.13Å
455Y87.6Confident83.6Confident9 Ų931.7 Ų31.74%0.03516%0.164CC..EExtended strand (participates in β ladder)trans-114.1152.2-178.4-63.7-90.1000111.2I407 L429 I442 V444 K453 H460 C461I407-Y455 HydrophobicContact CG2-CD1 3.99Å; I407-Y455 HydrophobicContact CG2-CE1 4.45Å; I407-Y455 HydrophobicContact CG2-CG 4.17Å; L429-Y455 HydrophobicContact CD1-CE2 4.19Å; L429-Y455 HydrophobicContact CD2-CE2 4.26Å; I442-Y455 PolarHBondContact N-O 2.92Å; I442-Y455 PolarHBondContact O-N 3.34Å; V444-Y455 HydrophobicContact CB-CD2 4.46Å; V444-Y455 HydrophobicContact CB-CE2 4.34Å; V444-Y455 HydrophobicContact CG2-CD2 3.76Å; V444-Y455 HydrophobicContact CG2-CE2 4.06Å; K453-Y455 HydrophobicContact CB-CD2 4.38Å; K453-Y455 HydrophobicContact CB-CE2 3.59Å; Y455-H460 CarbonylContact C-O 3.56Å; Y455-H460 VanDerWaalsContact CA-O 3.26Å; Y455-H460 WeakPolarHBondContact CA-O 3.45Å; Y455-C461 HydrophobicContact CD1-CB 3.97Å; Y455-C461 HydrophobicContact CE1-CB 3.75Å
456T86.1Confident83.1Confident25 Ų2535.9 Ų35.915%0.15318%0.179CC..EExtended strand (participates in β ladder)trans-78.6163.4161.859.40000110.3L441 D458 G459 H460 V462L441-T456 HydrophobicContact CD2-CG2 4.31Å; T456-D458 PolarHBondContact O-N 2.93Å; T456-D458 VanDerWaalsContact O-N 3.17Å; T456-D458 PolarHBondContact OG1-N 2.89Å; T456-G459 PolarHBondContact O-N 3.21Å; T456-H460 HydrophobicContact CG2-CB 4.42Å; T456-H460 PolarHBondContact N-O 3.35Å; T456-H460 WeakPolarHBondContact OG1-CB 3.35Å; T456-H460 PolarHBondContact OG1-N 3Å; T456-H460 PolarHBondContact OG1-O 2.96Å; T456-V462 HydrophobicContact CG2-CG2 3.46Å; T456-V462 VanDerWaalsContact CG2-CG2 3.46Å
457L82.9Confident82.4Confident48 Ų4839.1 Ų39.125%0.25120%0.202SC..THydrogen-bonded Turntrans-53.9-31.7169.5-79.5164.6000112.3K405 M436 I442 G459K405-L457 WeakPolarHBondContact CE-O 3.17Å; K405-L457 PolarHBondContact NZ-O 3.32Å; M436-L457 HydrophobicContact CE-CD2 3.65Å; M436-L457 HydrophobicContact CE-CG 4.49Å; M436-L457 HydrophobicContact SD-CD2 4.4Å; I442-L457 HydrophobicContact CD1-CD2 4.17Å; L457-G459 PolarHBondContact O-N 3.09Å
458D80.6Confident82.2Confident127 Ų12742.2 Ų42.268%0.67921%0.213SC*.THydrogen-bonded Turntrans-78.9-1.6179.9-56.4-42.4000113.3T456T456-D458 PolarHBondContact O-N 2.93Å; T456-D458 VanDerWaalsContact O-N 3.17Å; T456-D458 PolarHBondContact OG1-N 2.89Å
459G77.6Confident82.3Confident15 Ų1535.3 Ų35.316%0.15519%0.187CC..SBendtrans89.56177.300000114.6T456 L457T456-G459 PolarHBondContact O-N 3.21Å; L457-G459 PolarHBondContact O-N 3.09Å
460H80.3Confident82.5Confident93 Ų9336.5 Ų36.543%0.43120%0.197SC..  trans-76.6131.1175.4-56.891.8000111.3G413 Y455 T456G413-H460 CarbonylContact O-C 3.55Å; G413-H460 WeakPolarHBondContact O-CA 3.32Å; Y455-H460 CarbonylContact C-O 3.56Å; Y455-H460 VanDerWaalsContact CA-O 3.26Å; Y455-H460 WeakPolarHBondContact CA-O 3.45Å; T456-H460 HydrophobicContact CG2-CB 4.42Å; T456-H460 PolarHBondContact N-O 3.35Å; T456-H460 WeakPolarHBondContact OG1-CB 3.35Å; T456-H460 PolarHBondContact OG1-N 3Å; T456-H460 PolarHBondContact OG1-O 2.96Å
461C81.7Confident82.5Confident6 Ų637 Ų374%0.04120%0.197CC..EExtended strand (participates in β ladder)trans-81.9116.8175.9-172.30000110.2G413 D415 Y455G413-C461 PolarHBondContact O-N 3.26Å; D415-C461 PolarHBondContact N-O 3.34Å; Y455-C461 HydrophobicContact CD1-CB 3.97Å; Y455-C461 HydrophobicContact CE1-CB 3.75Å
462V81.4Confident82.7Confident10 Ų1037 Ų376%0.06120%0.197CC..EExtended strand (participates in β ladder)trans-96-35-175.8-178.70000111.5V418 L441 V454 T456V418-V462 WeakPolarHBondContact CG2-O 3.35Å; L441-V462 HydrophobicContact CD2-CG2 4.38Å; V454-V462 PolarHBondContact O-N 2.94Å; T456-V462 HydrophobicContact CG2-CG2 3.46Å; T456-V462 VanDerWaalsContact CG2-CG2 3.46Å
463A79.6Confident82.7Confident3 Ų339.7 Ų39.73%0.02521%0.206CC..EExtended strand (participates in β ladder)trans-148.6147.9-177.600000111.5K453 V454 V498 V504K453-A463 CarbonylContact C-O 3.52Å; K453-A463 WeakPolarHBondContact CA-O 3.38Å; V454-A463 HydrophobicContact CB-CB 4.06Å; V454-A463 HydrophobicContact CG2-CB 4.18Å; V454-A463 PolarHBondContact N-O 3.48Å; V454-A463 PolarHBondContact O-N 3.03Å; A463-V498 HydrophobicContact CB-CG1 3.93Å; A463-V504 HydrophobicContact CB-CG2 3.97Å
464C82.5Confident82.8Confident26 Ų2639.6 Ų39.618%0.17621%0.207CC..EExtended strand (participates in β ladder)trans-138.7124.9169.6-175.50000108.2L422 L452 K453L422-C464 HydrophobicContact CD1-CB 3.44Å; L422-C464 VanDerWaalsContact CD1-CB 3.44Å; L422-C464 HydrophobicContact CD2-CB 4.36Å; L422-C464 HydrophobicContact CG-CB 4.48Å; L452-C464 CarbonylContact O-C 3.59Å; L452-C464 WeakPolarHBondContact O-CA 3.41Å; K453-C464 HydrophobicContact CG-CB 4.46Å
465H82.8Confident83Confident23 Ų2339.9 Ų39.911%0.10621%0.208CC..EExtended strand (participates in β ladder)trans-122.5123.3178.4-170.783.6000110S451 L452 S467 F496 V504S451-H465 CarbonylContact C-O 3.47Å; S451-H465 VanDerWaalsContact CA-O 3.28Å; S451-H465 WeakPolarHBondContact CA-O 3.2Å; S451-H465 WeakPolarHBondContact CB-O 3.27Å; L452-H465 HydrophobicContact CB-CB 4.42Å; L452-H465 PolarHBondContact N-O 3.3Å; L452-H465 PolarHBondContact O-N 2.97Å; H465-S467 PolarHBondContact CD2-O 3.3Å; H465-S467 PolarHBondContact NE2-O 3.17Å; H465-F496 AromaticContact CD2-CE1 3.4Å; H465-F496 VanDerWaalsContact CD2-CE1 3.4Å; H465-F496 WeakPolarHBondContact CD2-CE1 3.48Å; H465-F496 AromaticContact CD2-CZ 3.84Å; H465-F496 AromaticContact CG-CE1 3.97Å; H465-F496 AromaticContact NE2-CE1 3.63Å; H465-V504 HydrophobicContact CB-CG2 3.94Å
466R80Confident83.3Confident87 Ų8740 Ų4033%0.32821%0.21SC..  trans-118.9-18.4-178.4-75.6175.9178.9177.30.3113.6P427 D449 S451P427-R466 VanDerWaalsContact CD-NH2 3.32Å; D449-R466 IonicContact OD2-CZ 2.66Å; D449-R466 IonicContact OD2-NE 3.89Å; D449-R466 PolarHBondContact OD2-NE 3.14Å; D449-R466 IonicContact OD2-NH2 2.78Å; D449-R466 PolarHBondContact OD2-NH2 3.43Å; S451-R466 VanDerWaalsContact CB-CG 3.46Å
467S71.4Confident83.6Confident68 Ų6839.3 Ų39.348%0.47621%0.207SC..THydrogen-bonded Turntrans-71.4143.1-174.6-162.60000109.9H465 L469H465-S467 PolarHBondContact CD2-O 3.3Å; H465-S467 PolarHBondContact NE2-O 3.17Å; S467-L469 PolarHBondContact O-N 3.36Å
468Q75.8Confident84Confident97 Ų9737.6 Ų37.645%0.45320%0.197SC..THydrogen-bonded Turntrans63.28.1173.1-43.8-169.619.500116.7W494 Y507Q468-W494 HydrophobicContact CB-CH2 4.31Å; Q468-W494 HydrophobicContact CB-CZ2 4.04Å; Q468-Y507 PolarHBondContact NE2-OH 2.97Å; Q468-Y507 VanDerWaalsContact NE2-OH 3.07Å
469L82.9Confident84.4Confident15 Ų1535 Ų358%0.07919%0.187CC..  trans-102.1118.8175.5-67.4177000110.9L452 S467 P472 D487 W494 F496L452-L469 HydrophobicContact CB-CD1 4.14Å; S467-L469 PolarHBondContact O-N 3.36Å; L469-P472 HydrophobicContact CB-CG 4.33Å; L469-P472 HydrophobicContact CD1-CB 4.27Å; L469-P472 HydrophobicContact CD1-CG 4.21Å; L469-P472 HydrophobicContact CD2-CB 4.39Å; L469-D487 WeakPolarHBondContact CA-OD2 3.42Å; L469-W494 HydrophobicContact CD2-CG 4.26Å; L469-F496 HydrophobicContact CD1-CZ 4.38Å; L469-F496 HydrophobicContact CD2-CE2 4.45Å; L469-F496 HydrophobicContact CD2-CZ 4.14Å; L469-F496 HydrophobicContact CG-CZ 4.49Å
470S82.4Confident84.9Confident50 Ų5038.1 Ų38.135%0.3521%0.207SC..SBendtrans-11472.3177.546.80000110.6D487 E489 G490S470-D487 WeakPolarHBondContact CA-OD1 3.24Å; S470-D487 PolarHBondContact N-OD1 3.1Å; S470-D487 PolarHBondContact N-OD2 3.33Å; S470-D487 PolarHBondContact OG-OD1 3.36Å; S470-D487 PolarHBondContact OG-OD2 2.96Å; S470-E489 WeakPolarHBondContact O-CB 3.36Å; S470-E489 PolarHBondContact O-N 3.36Å; S470-G490 WeakPolarHBondContact OG-CA 3.47Å; S470-G490 PolarHBondContact OG-N 3.01Å
471K85.7Confident85.3Confident74 Ų7434.1 Ų34.132%0.32219%0.191SC..SBendtrans80.770.1-176.1-160.8-177.9-177.9174.70113.3V488 E489K471-V488 PolarHBondContact O-N 3.42Å; K471-V488 VanDerWaalsContact O-N 3.11Å; K471-E489 HydrophobicContact CB-CG 3.94Å; K471-E489 HydrophobicContact CD-CG 3.71Å; K471-E489 WeakPolarHBondContact CD-OE1 3.31Å; K471-E489 IonicContact NZ-OE1 3.39Å; K471-E489 PolarHBondContact NZ-OE1 2.66Å
472P90.1Very high85.7Confident0 Ų036.6 Ų36.60%020%0.202CC..EExtended strand (participates in β ladder)trans-65.1134.8172.629.5-33000110.2L432 T445 L469 V485 T486L432-P472 WeakPolarHBondContact CD1-O 3.43Å; T445-P472 HydrophobicContact CG2-CB 4.07Å; L469-P472 HydrophobicContact CB-CG 4.33Å; L469-P472 HydrophobicContact CD1-CB 4.27Å; L469-P472 HydrophobicContact CD1-CG 4.21Å; L469-P472 HydrophobicContact CD2-CB 4.39Å; P472-V485 HydrophobicContact CB-CG1 3.67Å; P472-T486 CarbonylContact C-O 3.56Å; P472-T486 VanDerWaalsContact CA-O 3.27Å; P472-T486 WeakPolarHBondContact CA-O 3.43Å
473W88.6Confident86.3Confident55 Ų5536.1 Ų36.121%0.20820%0.199CC..EExtended strand (participates in β ladder)trans-119.5-74.3-176.6-166.4-66.1000112.6L432 S433 T445 T486 V488 K517 F518L432-W473 HydrophobicContact CD1-CD2 4.29Å; L432-W473 HydrophobicContact CD1-CE3 4.36Å; L432-W473 HydrophobicContact CD1-CG 4.41Å; S433-W473 WeakPolarHBondContact CB-O 3.28Å; T445-W473 PolarHBondContact OG1-O 3.42Å; W473-T486 PolarHBondContact N-O 2.89Å; W473-V488 HydrophobicContact CB-CG2 3.47Å; W473-V488 VanDerWaalsContact CB-CG2 3.47Å; W473-V488 HydrophobicContact CD2-CG2 4.33Å; W473-V488 HydrophobicContact CE3-CG2 4.03Å; W473-V488 HydrophobicContact CG-CG2 4.16Å; W473-K517 HydrophobicContact CG-CB 4.45Å; W473-F518 AromaticContact CD1-CE1 3.95Å; W473-F518 HydrophobicContact CZ2-CZ 4.48Å; W473-F518 AromaticContact NE1-CE1 3.45Å; W473-F518 AromaticContact NE1-CE2 3.98Å; W473-F518 AromaticContact NE1-CZ 3.28Å; W473-F518 VanDerWaalsContact NE1-CZ 3.28Å
474G89.5Confident87Confident1 Ų136 Ų361%0.0120%0.198CC..EExtended strand (participates in β ladder)trans-87.9147.1-177.900000111.7V485 T486 K517G474-V485 WeakPolarHBondContact O-CA 3.44Å; G474-T486 WeakPolarHBondContact CA-OG1 3.5Å; G474-T486 PolarHBondContact N-OG1 3.12Å; G474-T486 PolarHBondContact O-N 2.88Å; G474-T486 PolarHBondContact O-OG1 3.12Å; G474-K517 VanDerWaalsContact CA-O 3.32Å; G474-K517 WeakPolarHBondContact CA-O 3.46Å; G474-K517 PolarHBondContact N-O 3.14Å
475I93.1Very high87.4Confident6 Ų634.7 Ų34.73%0.03119%0.189CC..EExtended strand (participates in β ladder)trans-135.6140.4171.2-171.2173.6000110.6S433 A435 T445 L452 F483 V484 V485S433-I475 PolarHBondContact OG-N 2.75Å; A435-I475 HydrophobicContact CB-CG1 4.25Å; A435-I475 HydrophobicContact CB-CG2 3.96Å; T445-I475 HydrophobicContact CG2-CB 3.99Å; T445-I475 HydrophobicContact CG2-CG2 4.37Å; L452-I475 HydrophobicContact CD1-CD1 3.43Å; L452-I475 VanDerWaalsContact CD1-CD1 3.43Å; I475-F483 HydrophobicContact CD1-CB 4.19Å; I475-F483 HydrophobicContact CD1-CD1 3.8Å; I475-F483 HydrophobicContact CD1-CG 4.16Å; I475-F483 HydrophobicContact CG1-CB 4.35Å; I475-F483 HydrophobicContact CG1-CD1 4.1Å; I475-V484 CarbonylContact C-O 3.11Å; I475-V484 VanDerWaalsContact CA-O 3.31Å; I475-V484 WeakPolarHBondContact CA-O 3.39Å; I475-V485 HydrophobicContact CB-CG2 4.29Å; I475-V485 HydrophobicContact CD1-CG2 3.95Å; I475-V485 HydrophobicContact CG1-CG2 3.83Å
476T93.4Very high87.8Confident11 Ų1133.6 Ų33.67%0.06718%0.184CC..EExtended strand (participates in β ladder)trans-135.6159168.2-168.40000110F483 V484 V519 C521T476-F483 CarbonylContact O-C 3.6Å; T476-F483 WeakPolarHBondContact O-CA 3.44Å; T476-V484 HydrophobicContact CG2-CB 4Å; T476-V484 PolarHBondContact N-O 2.89Å; T476-V484 PolarHBondContact O-N 2.78Å; T476-V519 HydrophobicContact CG2-CG1 4.13Å; T476-V519 HydrophobicContact CG2-CG2 3.76Å; T476-C521 HydrophobicContact CG2-CB 4.27Å; T476-C521 PolarHBondContact OG1-SG 3.45Å; T476-C521 VanDerWaalsContact OG1-SG 3.4Å
477A93.3Very high88.3Confident11 Ų1129.5 Ų29.59%0.09117%0.169CC..EExtended strand (participates in β ladder)trans-111.4123.7175.400000110.1A435 M436 N437 Q482 F483 C521A435-A477 HydrophobicContact CB-CB 4.48Å; M436-A477 VanDerWaalsContact O-CB 3.25Å; M436-A477 WeakPolarHBondContact O-CB 3.32Å; N437-A477 HydrophobicContact CB-CB 3.94Å; A477-Q482 CarbonylContact C-O 3.47Å; A477-Q482 WeakPolarHBondContact CA-O 3.37Å; A477-F483 HydrophobicContact CB-CD1 3.94Å; A477-F483 HydrophobicContact CB-CE1 3.88Å; A477-C521 PolarHBondContact O-SG 3.46Å
478L91.6Very high89Confident11 Ų1126.4 Ų26.46%0.05815%0.147CC..  trans-69.6155.9175.8-73.3173000111.2S480 G481 Q482 V484 C521 V527L478-S480 WeakPolarHBondContact CB-OG 3.46Å; L478-S480 PolarHBondContact O-N 2.86Å; L478-S480 VanDerWaalsContact O-N 3.11Å; L478-G481 PolarHBondContact O-N 3.09Å; L478-Q482 HydrophobicContact CD1-CB 4.32Å; L478-Q482 PolarHBondContact N-O 3.28Å; L478-V484 HydrophobicContact CD1-CG2 3.74Å; L478-V484 HydrophobicContact CG-CG2 3.91Å; L478-C521 HydrophobicContact CD2-CB 4.05Å; L478-V527 HydrophobicContact CD2-CG2 3.63Å
479P88.6Confident89.4Confident72 Ų7226.6 Ų26.647%0.46815%0.148SC..THydrogen-bonded Turntrans-55.4-28.1172.2-25.534.3000113.6G481P479-G481 PolarHBondContact O-N 3.36Å
480S88.4Confident89.4Confident81 Ų8127.3 Ų27.357%0.56616%0.158SC*.THydrogen-bonded Turntrans-66.4-14.8174.363.30000114.3L478L478-S480 WeakPolarHBondContact CB-OG 3.46Å; L478-S480 PolarHBondContact O-N 2.86Å; L478-S480 VanDerWaalsContact O-N 3.11Å
481G87.9Confident89.5Confident9 Ų925.7 Ų25.79%0.09315%0.15CC..SBendtrans95.4-3.1-176.800000114.9N437 L478 P479N437-G481 PolarHBondContact ND2-O 3.48Å; N437-G481 VanDerWaalsContact ND2-O 3.09Å; L478-G481 PolarHBondContact O-N 3.09Å; P479-G481 PolarHBondContact O-N 3.36Å
482Q91.4Very high89.7Confident58 Ų5826 Ų2627%0.27115%0.152SC..  trans-78.3150.9175.7-65175.4-31.300111.8A477 L478 C495 F496 T497A477-Q482 CarbonylContact C-O 3.47Å; A477-Q482 WeakPolarHBondContact CA-O 3.37Å; L478-Q482 HydrophobicContact CD1-CB 4.32Å; L478-Q482 PolarHBondContact N-O 3.28Å; Q482-C495 PolarHBondContact OE1-SG 3.31Å; Q482-C495 VanDerWaalsContact OE1-SG 3.35Å; Q482-F496 CarbonylContact C-O 3.57Å; Q482-F496 WeakPolarHBondContact CA-O 3Å; Q482-T497 HydrophobicContact CG-CG2 4.48Å; Q482-T497 PolarHBondContact NE2-OG1 3.41Å
483F93.2Very high89.7Confident0 Ų026 Ų260%015%0.152CC..EExtended strand (participates in β ladder)trans-96.8136.4172.4-67.7-73.6000110.7N437 L441 V454 I475 T476 A477 C495 F496 V498N437-F483 HydrophobicContact CB-CE1 4.08Å; N437-F483 HydrophobicContact CB-CE2 4.33Å; N437-F483 HydrophobicContact CB-CZ 3.76Å; L441-F483 HydrophobicContact CB-CZ 4.33Å; V454-F483 HydrophobicContact CG1-CE2 4.32Å; I475-F483 HydrophobicContact CD1-CB 4.19Å; I475-F483 HydrophobicContact CD1-CD1 3.8Å; I475-F483 HydrophobicContact CD1-CG 4.16Å; I475-F483 HydrophobicContact CG1-CB 4.35Å; I475-F483 HydrophobicContact CG1-CD1 4.1Å; T476-F483 CarbonylContact O-C 3.6Å; T476-F483 WeakPolarHBondContact O-CA 3.44Å; A477-F483 HydrophobicContact CB-CD1 3.94Å; A477-F483 HydrophobicContact CB-CE1 3.88Å; F483-C495 CarbonylContact O-C 3.52Å; F483-C495 WeakPolarHBondContact O-CA 3.4Å; F483-F496 HydrophobicContact CB-CB 4.4Å; F483-F496 PolarHBondContact N-O 3.18Å; F483-F496 PolarHBondContact O-N 3.22Å; F483-V498 HydrophobicContact CD2-CG2 3.95Å; F483-V498 HydrophobicContact CE2-CG2 4.32Å
484V93.1Very high89.9Confident0 Ų024.3 Ų24.30%015%0.145CC..EExtended strand (participates in β ladder)trans-109.8125.4169179.50000108.3I475 T476 L478 L493 W494 L510 V519 V527I475-V484 CarbonylContact C-O 3.11Å; I475-V484 VanDerWaalsContact CA-O 3.31Å; I475-V484 WeakPolarHBondContact CA-O 3.39Å; T476-V484 HydrophobicContact CG2-CB 4Å; T476-V484 PolarHBondContact N-O 2.89Å; T476-V484 PolarHBondContact O-N 2.78Å; L478-V484 HydrophobicContact CD1-CG2 3.74Å; L478-V484 HydrophobicContact CG-CG2 3.91Å; V484-L493 HydrophobicContact CG1-CB 4.41Å; V484-L493 HydrophobicContact CG1-CD2 4.32Å; V484-W494 CarbonylContact C-O 3.58Å; V484-W494 VanDerWaalsContact CA-O 3.3Å; V484-W494 WeakPolarHBondContact CA-O 3.17Å; V484-L510 HydrophobicContact CG1-CD2 4.15Å; V484-L510 HydrophobicContact CG2-CD2 4.34Å; V484-V519 HydrophobicContact CG1-CG2 4.34Å; V484-V527 HydrophobicContact CG1-CG1 4.27Å; V484-V527 HydrophobicContact CG2-CG2 4.31Å
485V92.9Very high89.9Confident0 Ų024.6 Ų24.60%015%0.147CC..EExtended strand (participates in β ladder)trans-119.8134.9-178.3178.60000109.3T445 L452 P472 G474 I475 L493 W494 F496T445-V485 HydrophobicContact CG2-CG1 3.8Å; T445-V485 HydrophobicContact CG2-CG2 4.44Å; L452-V485 HydrophobicContact CD1-CG2 3.98Å; L452-V485 HydrophobicContact CD2-CG2 4.07Å; P472-V485 HydrophobicContact CB-CG1 3.67Å; G474-V485 WeakPolarHBondContact O-CA 3.44Å; I475-V485 HydrophobicContact CB-CG2 4.29Å; I475-V485 HydrophobicContact CD1-CG2 3.95Å; I475-V485 HydrophobicContact CG1-CG2 3.83Å; V485-L493 WeakPolarHBondContact O-CA 3.38Å; V485-W494 PolarHBondContact N-O 2.96Å; V485-W494 PolarHBondContact O-N 3.47Å; V485-F496 HydrophobicContact CB-CD2 4.25Å; V485-F496 HydrophobicContact CB-CE2 3.94Å; V485-F496 HydrophobicContact CG2-CD2 3.86Å; V485-F496 HydrophobicContact CG2-CE2 3.93Å
486T90.9Very high89.8Confident0 Ų024.4 Ų24.40%015%0.146CC..EExtended strand (participates in β ladder)trans-89.5130.6172.651.70000110.6P472 W473 G474 L493 P516 K517 V519P472-T486 CarbonylContact C-O 3.56Å; P472-T486 VanDerWaalsContact CA-O 3.27Å; P472-T486 WeakPolarHBondContact CA-O 3.43Å; W473-T486 PolarHBondContact N-O 2.89Å; G474-T486 WeakPolarHBondContact CA-OG1 3.5Å; G474-T486 PolarHBondContact N-OG1 3.12Å; G474-T486 PolarHBondContact O-N 2.88Å; G474-T486 PolarHBondContact O-OG1 3.12Å; T486-L493 HydrophobicContact CG2-CD1 4.39Å; T486-L493 HydrophobicContact CG2-CD2 4.4Å; T486-L493 HydrophobicContact CG2-CG 4Å; T486-P516 WeakPolarHBondContact CB-O 3.4Å; T486-P516 HydrophobicContact CG2-CB 3.99Å; T486-K517 PolarHBondContact OG1-O 3.03Å; T486-V519 HydrophobicContact CG2-CB 3.71Å; T486-V519 HydrophobicContact CG2-CG1 3.98Å; T486-V519 HydrophobicContact CG2-CG2 4.39Å
487D90.1Very high89.5Confident1 Ų126 Ų261%0.00516%0.156CC..EExtended strand (participates in β ladder)trans-105.7108.3174-172.7-18.6000109.2L469 S470 G490 G491 K492L469-D487 WeakPolarHBondContact CA-OD2 3.42Å; S470-D487 WeakPolarHBondContact CA-OD1 3.24Å; S470-D487 PolarHBondContact N-OD1 3.1Å; S470-D487 PolarHBondContact N-OD2 3.33Å; S470-D487 PolarHBondContact OG-OD1 3.36Å; S470-D487 PolarHBondContact OG-OD2 2.96Å; D487-G490 WeakPolarHBondContact OD1-CA 3.34Å; D487-G490 PolarHBondContact OD1-N 3.21Å; D487-G491 PolarHBondContact O-N 3.21Å; D487-K492 WeakPolarHBondContact CB-O 3.49Å; D487-K492 PolarHBondContact N-O 2.97Å; D487-K492 PolarHBondContact O-N 3.4Å
488V85.4Confident89.2Confident2 Ų225.9 Ų25.91%0.01215%0.154CC..THydrogen-bonded Turntrans-70.1-52.1-169.2178.70000111.5K471 W473 R515 P516 K517K471-V488 PolarHBondContact O-N 3.42Å; K471-V488 VanDerWaalsContact O-N 3.11Å; W473-V488 HydrophobicContact CB-CG2 3.47Å; W473-V488 VanDerWaalsContact CB-CG2 3.47Å; W473-V488 HydrophobicContact CD2-CG2 4.33Å; W473-V488 HydrophobicContact CE3-CG2 4.03Å; W473-V488 HydrophobicContact CG-CG2 4.16Å; V488-R515 HydrophobicContact CG1-CB 4.34Å; V488-R515 WeakPolarHBondContact O-CA 3.28Å; V488-P516 VanDerWaalsContact CG2-O 3.24Å; V488-P516 WeakPolarHBondContact CG2-O 3.42Å; V488-K517 HydrophobicContact CG1-CG 4.38Å; V488-K517 HydrophobicContact CG2-CG 3.95Å
489E84.3Confident88.6Confident102 Ų10228.9 Ų28.948%0.47717%0.17SC..THydrogen-bonded Turntrans-81.3-26-179.6-49.4-64158.400110.7S470 K471 G491S470-E489 WeakPolarHBondContact O-CB 3.36Å; S470-E489 PolarHBondContact O-N 3.36Å; K471-E489 HydrophobicContact CB-CG 3.94Å; K471-E489 HydrophobicContact CD-CG 3.71Å; K471-E489 WeakPolarHBondContact CD-OE1 3.31Å; K471-E489 IonicContact NZ-OE1 3.39Å; K471-E489 PolarHBondContact NZ-OE1 2.66Å; E489-G491 VanDerWaalsContact C-N 3.27Å; E489-G491 PolarHBondContact O-N 3.46Å
490G82.7Confident87.7Confident29 Ų2932.2 Ų32.230%0.29917%0.173SC..THydrogen-bonded Turntrans-75.6-17.3177.300000113.5S470 D487 K492S470-G490 WeakPolarHBondContact OG-CA 3.47Å; S470-G490 PolarHBondContact OG-N 3.01Å; D487-G490 WeakPolarHBondContact OD1-CA 3.34Å; D487-G490 PolarHBondContact OD1-N 3.21Å; G490-K492 VanDerWaalsContact C-N 3.3Å; G490-K492 PolarHBondContact O-N 3.04Å
491G85.9Confident86.6Confident17 Ų1731.2 Ų31.218%0.17518%0.176CC..THydrogen-bonded Turntrans63.933.4177.400000113.3D487 E489 S512 A513D487-G491 PolarHBondContact O-N 3.21Å; E489-G491 VanDerWaalsContact C-N 3.27Å; E489-G491 PolarHBondContact O-N 3.46Å; G491-S512 CarbonylContact O-C 3.57Å; G491-S512 WeakPolarHBondContact O-CA 3.42Å; G491-A513 CarbonylContact C-O 3.58Å; G491-A513 WeakPolarHBondContact CA-O 3.33Å; G491-A513 PolarHBondContact O-N 2.88Å
492K89.3Confident85.6Confident81 Ų8133.5 Ų33.535%0.35219%0.19SC..EExtended strand (participates in β ladder)trans-138.9151-173.3-71.4175.4-174.9176.40112D487 G490 W494D487-K492 WeakPolarHBondContact CB-O 3.49Å; D487-K492 PolarHBondContact N-O 2.97Å; D487-K492 PolarHBondContact O-N 3.4Å; G490-K492 VanDerWaalsContact C-N 3.3Å; G490-K492 PolarHBondContact O-N 3.04Å; K492-W494 HydrophobicContact CD-CZ2 4.03Å
493L90.8Very high84.6Confident0 Ų031 Ų310%018%0.179CC..EExtended strand (participates in β ladder)trans-101.8122.9166.3-78.973.3000108.3V484 V485 T486 L510 C511 A513 P516 V527 F529V484-L493 HydrophobicContact CG1-CB 4.41Å; V484-L493 HydrophobicContact CG1-CD2 4.32Å; V485-L493 WeakPolarHBondContact O-CA 3.38Å; T486-L493 HydrophobicContact CG2-CD1 4.39Å; T486-L493 HydrophobicContact CG2-CD2 4.4Å; T486-L493 HydrophobicContact CG2-CG 4Å; L493-L510 HydrophobicContact CB-CB 4.26Å; L493-L510 PolarHBondContact O-N 3.31Å; L493-C511 PolarHBondContact N-O 3.35Å; L493-A513 HydrophobicContact CD1-CB 3.84Å; L493-P516 HydrophobicContact CD1-CB 3.78Å; L493-P516 HydrophobicContact CD1-CG 3.82Å; L493-V527 HydrophobicContact CD2-CG1 4.31Å; L493-F529 HydrophobicContact CD1-CD2 4.21Å; L493-F529 HydrophobicContact CD1-CG 4.29Å; L493-F529 HydrophobicContact CD2-CB 3.95Å; L493-F529 HydrophobicContact CD2-CD1 3.67Å; L493-F529 HydrophobicContact CD2-CD2 4.5Å; L493-F529 HydrophobicContact CD2-CE1 4.31Å; L493-F529 HydrophobicContact CD2-CG 3.78Å
494W91.3Very high83.7Confident19 Ų1932.7 Ų32.77%0.07219%0.19CC..EExtended strand (participates in β ladder)trans-104.8130.8179.9-68.6104.8000110.4Q468 L469 V484 V485 K492 F496 Y507 C509Q468-W494 HydrophobicContact CB-CH2 4.31Å; Q468-W494 HydrophobicContact CB-CZ2 4.04Å; L469-W494 HydrophobicContact CD2-CG 4.26Å; V484-W494 CarbonylContact C-O 3.58Å; V484-W494 VanDerWaalsContact CA-O 3.3Å; V484-W494 WeakPolarHBondContact CA-O 3.17Å; V485-W494 PolarHBondContact N-O 2.96Å; V485-W494 PolarHBondContact O-N 3.47Å; K492-W494 HydrophobicContact CD-CZ2 4.03Å; W494-F496 HydrophobicContact CB-CD2 4.08Å; W494-F496 HydrophobicContact CB-CE2 3.3Å; W494-F496 HydrophobicContact CB-CZ 3.68Å; W494-F496 HydrophobicContact CG-CE2 4.24Å; W494-F496 HydrophobicContact CG-CZ 4.22Å; W494-Y507 HydrophobicContact CE3-CD2 4.36Å; W494-Y507 HydrophobicContact CZ3-CD2 4.13Å; W494-C509 HydrophobicContact CE3-CB 4.24Å; W494-C509 HydrophobicContact CH2-CB 4.47Å; W494-C509 HydrophobicContact CZ3-CB 4.01Å
495C91.2Very high82.4Confident7 Ų736.9 Ų36.95%0.04722%0.215CC..EExtended strand (participates in β ladder)trans-99.7127.1171.4-173.30000109.5Q482 F483 Y507 S508Q482-C495 PolarHBondContact OE1-SG 3.31Å; Q482-C495 VanDerWaalsContact OE1-SG 3.35Å; F483-C495 CarbonylContact O-C 3.52Å; F483-C495 WeakPolarHBondContact O-CA 3.4Å; C495-Y507 CarbonylContact O-C 3.26Å; C495-Y507 VanDerWaalsContact O-CA 3.24Å; C495-Y507 WeakPolarHBondContact O-CA 3.42Å; C495-S508 PolarHBondContact N-O 2.8Å; C495-S508 PolarHBondContact O-N 3.37Å
496F89.6Confident81.7Confident1 Ų143.1 Ų43.10%0.00424%0.243CC..EExtended strand (participates in β ladder)trans-119.8127.1-177.7-66.1-82.1000110.6L452 H465 L469 Q482 F483 V485 W494 V504 K506 Y507L452-F496 HydrophobicContact CD2-CB 4.04Å; L452-F496 HydrophobicContact CD2-CD1 4.16Å; L452-F496 HydrophobicContact CD2-CD2 3.61Å; L452-F496 HydrophobicContact CD2-CE2 4.03Å; L452-F496 HydrophobicContact CD2-CG 3.67Å; H465-F496 AromaticContact CD2-CE1 3.4Å; H465-F496 VanDerWaalsContact CD2-CE1 3.4Å; H465-F496 WeakPolarHBondContact CD2-CE1 3.48Å; H465-F496 AromaticContact CD2-CZ 3.84Å; H465-F496 AromaticContact CG-CE1 3.97Å; H465-F496 AromaticContact NE2-CE1 3.63Å; L469-F496 HydrophobicContact CD1-CZ 4.38Å; L469-F496 HydrophobicContact CD2-CE2 4.45Å; L469-F496 HydrophobicContact CD2-CZ 4.14Å; L469-F496 HydrophobicContact CG-CZ 4.49Å; Q482-F496 CarbonylContact C-O 3.57Å; Q482-F496 WeakPolarHBondContact CA-O 3Å; F483-F496 HydrophobicContact CB-CB 4.4Å; F483-F496 PolarHBondContact N-O 3.18Å; F483-F496 PolarHBondContact O-N 3.22Å; V485-F496 HydrophobicContact CB-CD2 4.25Å; V485-F496 HydrophobicContact CB-CE2 3.94Å; V485-F496 HydrophobicContact CG2-CD2 3.86Å; V485-F496 HydrophobicContact CG2-CE2 3.93Å; W494-F496 HydrophobicContact CB-CD2 4.08Å; W494-F496 HydrophobicContact CB-CE2 3.3Å; W494-F496 HydrophobicContact CB-CZ 3.68Å; W494-F496 HydrophobicContact CG-CE2 4.24Å; W494-F496 HydrophobicContact CG-CZ 4.22Å; F496-V504 HydrophobicContact CD1-CG1 3.82Å; F496-K506 WeakPolarHBondContact CA-O 3.5Å; F496-Y507 VanDerWaalsContact CD1-CB 3.49Å; F496-Y507 HydrophobicContact CE1-CG 4.29Å
497T88.3Confident81.4Confident45 Ų4547.9 Ų47.928%0.27626%0.261SS..EExtended strand (participates in β ladder)trans-101.6124.7167.8-50.40000108.5Q482 V505 K506Q482-T497 HydrophobicContact CG-CG2 4.48Å; Q482-T497 PolarHBondContact NE2-OG1 3.41Å; T497-V505 PolarHBondContact O-N 3.02Å; T497-K506 PolarHBondContact N-O 3.15Å; T497-K506 PolarHBondContact O-N 3.48Å
498V85.3Confident81.2Confident8 Ų850.5 Ų50.55%0.04828%0.279CS..EExtended strand (participates in β ladder)trans-119.9128.8-175.1-171.80000108.4L441 V454 A463 F483 G503 V504L441-V498 HydrophobicContact CD1-CG1 4.49Å; V454-V498 HydrophobicContact CB-CG1 4.38Å; V454-V498 HydrophobicContact CG1-CG1 4.21Å; V454-V498 HydrophobicContact CG2-CG1 4.22Å; V454-V498 HydrophobicContact CG2-CG2 4.13Å; A463-V498 HydrophobicContact CB-CG1 3.93Å; F483-V498 HydrophobicContact CD2-CG2 3.95Å; F483-V498 HydrophobicContact CE2-CG2 4.32Å; V498-G503 WeakPolarHBondContact CA-O 3.12Å; V498-V504 HydrophobicContact CG2-CG2 4.22Å
499D79.2Confident81.2Confident75 Ų7553.1 Ų53.140%0.40130%0.297SS..EExtended strand (participates in β ladder)trans-110.5148.3172.6-176.573.1000110G501 S502 G503 V505D499-G501 PolarHBondContact O-N 3.06Å; D499-G501 PolarHBondContact OD2-N 2.96Å; D499-S502 PolarHBondContact OD2-N 3.48Å; D499-G503 PolarHBondContact N-O 3.33Å; D499-G503 WeakPolarHBondContact O-CA 3.08Å; D499-G503 PolarHBondContact O-N 2.91Å; D499-V505 HydrophobicContact CB-CG2 3.37Å
500R71.3Confident81.2Confident142 Ų14249.7 Ų49.754%0.53628%0.282SS..THydrogen-bonded Turntrans-69.7-29.5-176-69.9-175177.8-169.2-0.5113.7Q439 L441Q439-R500 PolarHBondContact O-NH2 2.97Å; L441-R500 HydrophobicContact CD1-CG 4.16Å; L441-R500 HydrophobicContact CD2-CG 4.11Å
501G64.6Low81.3Confident60 Ų6048.9 Ų48.962%0.61927%0.272SS*.THydrogen-bonded Turntrans-93.3-26.9-176.900000114.2D499D499-G501 PolarHBondContact O-N 3.06Å; D499-G501 PolarHBondContact OD2-N 2.96Å
502S66.2Low81.3Confident56 Ų5652.1 Ų52.139%0.39229%0.292SS..THydrogen-bonded Turntrans-118.41.2-174.951.60000115.1F417 D499 V505F417-S502 WeakPolarHBondContact CE1-O 3.44Å; D499-S502 PolarHBondContact OD2-N 3.48Å; S502-V505 WeakPolarHBondContact OG-CG2 3.44Å
503G71.4Confident81Confident5 Ų548.6 Ų48.65%0.05228%0.278CS..EExtended strand (participates in β ladder)trans73.1-138.1-177.700000112.5V498 D499 V505V498-G503 WeakPolarHBondContact CA-O 3.12Å; D499-G503 PolarHBondContact N-O 3.33Å; D499-G503 WeakPolarHBondContact O-CA 3.08Å; D499-G503 PolarHBondContact O-N 2.91Å; G503-V505 WeakPolarHBondContact O-CG2 3.42Å; G503-V505 PolarHBondContact O-N 2.9Å
504V73.3Confident80.6Confident36 Ų3652.2 Ų52.222%0.21830%0.3CS..EExtended strand (participates in β ladder)trans-75.3111.6178.6-176.30000110A463 H465 F496 V498A463-V504 HydrophobicContact CB-CG2 3.97Å; H465-V504 HydrophobicContact CB-CG2 3.94Å; F496-V504 HydrophobicContact CD1-CG1 3.82Å; V498-V504 HydrophobicContact CG2-CG2 4.22Å
505V66.8Low80.1Confident88 Ų8857.3 Ų57.353%0.53332%0.319SS..EExtended strand (participates in β ladder)trans-91.2-35.9-173.6-173.60000112.2T497 D499 S502 G503T497-V505 PolarHBondContact O-N 3.02Å; D499-V505 HydrophobicContact CB-CG2 3.37Å; S502-V505 WeakPolarHBondContact OG-CG2 3.44Å; G503-V505 WeakPolarHBondContact O-CG2 3.42Å; G503-V505 PolarHBondContact O-N 2.9Å
506K78.1Confident79.8Confident132 Ų13257 Ų5757%0.57432%0.316SS*.EExtended strand (participates in β ladder)trans-144.5135.9-177.9-170.9177179.8-179.10109.7F496 T497F496-K506 WeakPolarHBondContact CA-O 3.5Å; T497-K506 PolarHBondContact N-O 3.15Å; T497-K506 PolarHBondContact O-N 3.48Å
507Y84Confident79.6Confident100 Ų10058.9 Ų58.939%0.39233%0.325SS..EExtended strand (participates in β ladder)trans-134.2138.2170.566.4-83.4000109.8Q468 W494 C495 F496Q468-Y507 PolarHBondContact NE2-OH 2.97Å; Q468-Y507 VanDerWaalsContact NE2-OH 3.07Å; W494-Y507 HydrophobicContact CE3-CD2 4.36Å; W494-Y507 HydrophobicContact CZ3-CD2 4.13Å; C495-Y507 CarbonylContact O-C 3.26Å; C495-Y507 VanDerWaalsContact O-CA 3.24Å; C495-Y507 WeakPolarHBondContact O-CA 3.42Å; F496-Y507 VanDerWaalsContact CD1-CB 3.49Å; F496-Y507 HydrophobicContact CE1-CG 4.29Å
508S85.8Confident79.5Confident55 Ų5558 Ų5839%0.38532%0.317SS..EExtended strand (participates in β ladder)trans-146.1147.2-179.854.50000111C495 L510C495-S508 PolarHBondContact N-O 2.8Å; C495-S508 PolarHBondContact O-N 3.37Å; S508-L510 PolarHBondContact O-N 3.48Å
509C86.4Confident79.8Confident58 Ų5858.3 Ų58.339%0.39232%0.319SS..EExtended strand (participates in β ladder)trans-73121.9172.1-177.40000108.9W494W494-C509 HydrophobicContact CE3-CB 4.24Å; W494-C509 HydrophobicContact CH2-CB 4.47Å; W494-C509 HydrophobicContact CZ3-CB 4.01Å
510L83.6Confident80.4Confident29 Ų2955.5 Ų55.515%0.15230%0.304CS..EExtended strand (participates in β ladder)trans-81.4-51.5177.6-176.366.9000110.7V484 L493 S508 V527 V555V484-L510 HydrophobicContact CG1-CD2 4.15Å; V484-L510 HydrophobicContact CG2-CD2 4.34Å; L493-L510 HydrophobicContact CB-CB 4.26Å; L493-L510 PolarHBondContact O-N 3.31Å; S508-L510 PolarHBondContact O-N 3.48Å; L510-V527 HydrophobicContact CD2-CG2 4.29Å; L510-V555 HydrophobicContact CD2-CG1 3.84Å; L510-V555 HydrophobicContact CG-CG1 4.39Å; L510-V555 HydrophobicContact CG-CG2 4.4Å
511C85.3Confident81.3Confident13 Ų1349.6 Ų49.69%0.08829%0.285CS..EExtended strand (participates in β ladder)trans-158.4161.5174.764.40000111.4L493 V555L493-C511 PolarHBondContact N-O 3.35Å; C511-V555 HydrophobicContact CB-CG2 4.28Å
512S85.9Confident82.5Confident85 Ų8547.3 Ų47.359%0.59426%0.259SS*.EExtended strand (participates in β ladder)trans-95.2137.2171.3-610000109.7G491G491-S512 CarbonylContact O-C 3.57Å; G491-S512 WeakPolarHBondContact O-CA 3.42Å
513A82.3Confident83.5Confident7 Ų749.3 Ų49.36%0.05828%0.279CS..  trans-144.7153.5-179.500000110.8G491 L493 R515 P516 F529 Q531G491-A513 CarbonylContact C-O 3.58Å; G491-A513 WeakPolarHBondContact CA-O 3.33Å; G491-A513 PolarHBondContact O-N 2.88Å; L493-A513 HydrophobicContact CD1-CB 3.84Å; A513-R515 PolarHBondContact O-N 3.25Å; A513-P516 HydrophobicContact CB-CB 4Å; A513-P516 HydrophobicContact CB-CG 4.03Å; A513-P516 WeakPolarHBondContact O-CD 3.13Å; A513-F529 HydrophobicContact CB-CD2 4.08Å; A513-F529 HydrophobicContact CB-CE2 3.56Å; A513-F529 HydrophobicContact CB-CZ 4.36Å; A513-Q531 HydrophobicContact CB-CG 4.41Å
514V82.6Confident84.2Confident76 Ų7655.9 Ų55.946%0.46131%0.308SS..SBendtrans-81.1109.8177.5-179.70000110Q531 G532V514-Q531 HydrophobicContact CB-CG 3.9Å; V514-Q531 VanDerWaalsContact N-NE2 3.15Å; V514-Q531 WeakPolarHBondContact O-CG 3.38Å; V514-G532 WeakPolarHBondContact CB-O 3.44Å; V514-G532 WeakPolarHBondContact CG1-O 3.28Å; V514-G532 PolarHBondContact O-N 2.9Å
515R80.3Confident84.8Confident125 Ų12554.4 Ų54.447%0.47230%0.3SS..SBendtrans46.656.7178-58.9-175.976-173.97.7114.7V488 A513 K517V488-R515 HydrophobicContact CG1-CB 4.34Å; V488-R515 WeakPolarHBondContact O-CA 3.28Å; A513-R515 PolarHBondContact O-N 3.25Å; R515-K517 PolarHBondContact O-N 3.46Å
516P86.1Confident85.9Confident0 Ų051.5 Ų51.50%028%0.283CS..  trans-70.5128.1-177.431.5-35.5000111.3T486 V488 L493 A513 F529 T530T486-P516 WeakPolarHBondContact CB-O 3.4Å; T486-P516 HydrophobicContact CG2-CB 3.99Å; V488-P516 VanDerWaalsContact CG2-O 3.24Å; V488-P516 WeakPolarHBondContact CG2-O 3.42Å; L493-P516 HydrophobicContact CD1-CB 3.78Å; L493-P516 HydrophobicContact CD1-CG 3.82Å; A513-P516 HydrophobicContact CB-CB 4Å; A513-P516 HydrophobicContact CB-CG 4.03Å; A513-P516 WeakPolarHBondContact O-CD 3.13Å; P516-F529 HydrophobicContact CB-CD2 4.42Å; P516-T530 WeakPolarHBondContact CA-O 3.24Å
517K84.4Confident86.5Confident42 Ų4245.2 Ų45.218%0.18326%0.255CS..  trans-109.9-62.2-177.5-72.4-177-179.3174.80112.8W473 G474 T486 V488 R515 T530W473-K517 HydrophobicContact CG-CB 4.45Å; G474-K517 VanDerWaalsContact CA-O 3.32Å; G474-K517 WeakPolarHBondContact CA-O 3.46Å; G474-K517 PolarHBondContact N-O 3.14Å; T486-K517 PolarHBondContact OG1-O 3.03Å; V488-K517 HydrophobicContact CG1-CG 4.38Å; V488-K517 HydrophobicContact CG2-CG 3.95Å; R515-K517 PolarHBondContact O-N 3.46Å; K517-T530 PolarHBondContact N-OG1 2.83Å
518F87.1Confident86.8Confident27 Ų2741.8 Ų41.812%0.11824%0.242CC..  trans-102.2147.8-175.1-63.7-78.7000110.5W473 F529 T530 I578 A579 M581W473-F518 AromaticContact CD1-CE1 3.95Å; W473-F518 HydrophobicContact CZ2-CZ 4.48Å; W473-F518 AromaticContact NE1-CE1 3.45Å; W473-F518 AromaticContact NE1-CE2 3.98Å; W473-F518 AromaticContact NE1-CZ 3.28Å; W473-F518 VanDerWaalsContact NE1-CZ 3.28Å; F518-F529 CarbonylContact O-C 3.53Å; F518-F529 WeakPolarHBondContact O-CA 3.44Å; F518-T530 HydrophobicContact CB-CG2 4.09Å; F518-T530 PolarHBondContact N-OG1 3.41Å; F518-T530 PolarHBondContact O-N 3.39Å; F518-I578 WeakPolarHBondContact CD2-O 3.47Å; F518-I578 WeakPolarHBondContact CE2-O 3.36Å; F518-A579 WeakPolarHBondContact CD1-O 3.46Å; F518-A579 WeakPolarHBondContact CE1-O 3.47Å; F518-A579 WeakPolarHBondContact CZ-O 3.29Å; F518-M581 HydrophobicContact CB-SD 4.26Å
519V90.8Very high87Confident13 Ų1339.2 Ų39.28%0.07922%0.223CC..EExtended strand (participates in β ladder)trans-145.3142-178.565.30000109.9T476 V484 T486 V527 Y528 F529T476-V519 HydrophobicContact CG2-CG1 4.13Å; T476-V519 HydrophobicContact CG2-CG2 3.76Å; V484-V519 HydrophobicContact CG1-CG2 4.34Å; T486-V519 HydrophobicContact CG2-CB 3.71Å; T486-V519 HydrophobicContact CG2-CG1 3.98Å; T486-V519 HydrophobicContact CG2-CG2 4.39Å; V519-V527 HydrophobicContact CG2-CG1 3.3Å; V519-Y528 CarbonylContact C-O 3.51Å; V519-Y528 VanDerWaalsContact CA-O 3.25Å; V519-Y528 WeakPolarHBondContact CA-O 3.25Å; V519-F529 HydrophobicContact CG2-CB 4.38Å
520T91.6Very high86.9Confident16 Ų1636.5 Ų36.510%0.09821%0.205CC..EExtended strand (participates in β ladder)trans-145.3163.5171.6-175.50000108.2V527 Y528 M581 V583 L589T520-V527 CarbonylContact O-C 3.56Å; T520-V527 WeakPolarHBondContact O-CA 3.34Å; T520-Y528 PolarHBondContact N-O 3.18Å; T520-Y528 PolarHBondContact O-N 2.93Å; T520-M581 HydrophobicContact CG2-CB 3.91Å; T520-M581 HydrophobicContact CG2-CE 4.14Å; T520-V583 HydrophobicContact CG2-CG2 3.75Å; T520-L589 HydrophobicContact CG2-CD1 3.97Å
521C91.9Very high86.7Confident19 Ų1937.1 Ų37.113%0.12821%0.208CC..EExtended strand (participates in β ladder)trans-129.9159.1171.6630000111.5T476 A477 L478 T526 V527T476-C521 HydrophobicContact CG2-CB 4.27Å; T476-C521 PolarHBondContact OG1-SG 3.45Å; T476-C521 VanDerWaalsContact OG1-SG 3.4Å; A477-C521 PolarHBondContact O-SG 3.46Å; L478-C521 HydrophobicContact CD2-CB 4.05Å; C521-T526 CarbonylContact C-O 3.53Å; C521-T526 WeakPolarHBondContact CA-O 3.5Å; C521-T526 WeakPolarHBondContact CB-O 3.33Å; C521-V527 HydrophobicContact CB-CG2 4.27Å
522D89.7Confident86Confident12 Ų1237.1 Ų37.16%0.06421%0.209CC..  trans-91.7-179170.270.910.4000111.9E524 G525 T526 Y528 V583D522-E524 VanDerWaalsContact C-N 3.27Å; D522-E524 PolarHBondContact O-N 3.36Å; D522-E524 WeakPolarHBondContact OD1-CA 3.46Å; D522-E524 WeakPolarHBondContact OD1-CB 3.45Å; D522-E524 PolarHBondContact OD1-N 3.19Å; D522-G525 PolarHBondContact O-N 3.22Å; D522-G525 PolarHBondContact OD1-N 3.4Å; D522-T526 PolarHBondContact N-O 2.92Å; D522-T526 WeakPolarHBondContact OD1-CB 3.35Å; D522-T526 PolarHBondContact OD1-N 3.32Å; D522-T526 VanDerWaalsContact OD2-CB 3.31Å; D522-T526 WeakPolarHBondContact OD2-CB 3.2Å; D522-T526 PolarHBondContact OD2-OG1 3.43Å; D522-Y528 HydrophobicContact CB-CE2 4.17Å; D522-V583 HydrophobicContact CB-CB 4.43Å; D522-V583 HydrophobicContact CB-CG1 3.88Å
523A85.6Confident84.8Confident98 Ų9835 Ų3581%0.8119%0.191SC*.THydrogen-bonded Turntrans-71.6-19.5177.600000113.7G525A523-G525 VanDerWaalsContact C-N 3.31Å
524E86.3Confident83.2Confident142 Ų14236.6 Ų36.666%0.66421%0.208SC*.THydrogen-bonded Turntrans-81.4-16177.5-62.8169.1-150.900111.3D522 K604D522-E524 VanDerWaalsContact C-N 3.27Å; D522-E524 PolarHBondContact O-N 3.36Å; D522-E524 WeakPolarHBondContact OD1-CA 3.46Å; D522-E524 WeakPolarHBondContact OD1-CB 3.45Å; D522-E524 PolarHBondContact OD1-N 3.19Å; E524-K604 IonicContact OE1-NZ 2.73Å; E524-K604 PolarHBondContact OE1-NZ 3.1Å
525G86.6Confident81.3Confident5 Ų537 Ų375%0.05221%0.207CC..  trans94.68.9-176.900000113.8D522 A523 V527D522-G525 PolarHBondContact O-N 3.22Å; D522-G525 PolarHBondContact OD1-N 3.4Å; A523-G525 VanDerWaalsContact C-N 3.31Å; G525-V527 PolarHBondContact O-N 3.29Å
526T89.8Confident79.2Confident28 Ų2837.5 Ų37.517%0.17222%0.219CC..  trans-69.9127.3170.3-50.20000109.1C521 D522 Y528C521-T526 CarbonylContact C-O 3.53Å; C521-T526 WeakPolarHBondContact CA-O 3.5Å; C521-T526 WeakPolarHBondContact CB-O 3.33Å; D522-T526 PolarHBondContact N-O 2.92Å; D522-T526 WeakPolarHBondContact OD1-CB 3.35Å; D522-T526 PolarHBondContact OD1-N 3.32Å; D522-T526 VanDerWaalsContact OD2-CB 3.31Å; D522-T526 WeakPolarHBondContact OD2-CB 3.2Å; D522-T526 PolarHBondContact OD2-OG1 3.43Å; T526-Y528 HydrophobicContact CG2-CE1 4.43Å; T526-Y528 HydrophobicContact CG2-CE2 4.02Å
527V91.3Very high76.9Confident0 Ų043.3 Ų43.30%025%0.25CC..EExtended strand (participates in β ladder)trans-99.2127.4179.41790000109.1L478 V484 L493 L510 V519 T520 C521 G525 S554 V555L478-V527 HydrophobicContact CD2-CG2 3.63Å; V484-V527 HydrophobicContact CG1-CG1 4.27Å; V484-V527 HydrophobicContact CG2-CG2 4.31Å; L493-V527 HydrophobicContact CD2-CG1 4.31Å; L510-V527 HydrophobicContact CD2-CG2 4.29Å; V519-V527 HydrophobicContact CG2-CG1 3.3Å; T520-V527 CarbonylContact O-C 3.56Å; T520-V527 WeakPolarHBondContact O-CA 3.34Å; C521-V527 HydrophobicContact CB-CG2 4.27Å; G525-V527 PolarHBondContact O-N 3.29Å; V527-S554 CarbonylContact O-C 3.58Å; V527-S554 VanDerWaalsContact O-CA 3.28Å; V527-S554 WeakPolarHBondContact O-CA 3.32Å; V527-V555 HydrophobicContact CB-CG1 3.7Å; V527-V555 HydrophobicContact CG1-CG1 4.19Å; V527-V555 PolarHBondContact N-O 2.94Å; V527-V555 PolarHBondContact O-N 3.48Å
528Y90.5Very high74.6Confident28 Ų2850.5 Ų50.511%0.1128%0.284CS..EExtended strand (participates in β ladder)trans-105.9134.1173.6-60.3-88.7000109.2V519 T520 D522 T526 G553 V583 L589V519-Y528 CarbonylContact C-O 3.51Å; V519-Y528 VanDerWaalsContact CA-O 3.25Å; V519-Y528 WeakPolarHBondContact CA-O 3.25Å; T520-Y528 PolarHBondContact N-O 3.18Å; T520-Y528 PolarHBondContact O-N 2.93Å; D522-Y528 HydrophobicContact CB-CE2 4.17Å; T526-Y528 HydrophobicContact CG2-CE1 4.43Å; T526-Y528 HydrophobicContact CG2-CE2 4.02Å; Y528-G553 WeakPolarHBondContact CA-O 3.3Å; Y528-V583 HydrophobicContact CD2-CG2 3.83Å; Y528-V583 HydrophobicContact CE2-CG2 4.06Å; Y528-L589 HydrophobicContact CG-CD1 4.39Å
529F88.8Confident72.2Confident0 Ų055.8 Ų55.80%031%0.313CS..EExtended strand (participates in β ladder)trans-140.3152.7-179.361.5-86.3000111.9L493 A513 P516 F518 V519 Q531 I552 G553 V555 L561L493-F529 HydrophobicContact CD1-CD2 4.21Å; L493-F529 HydrophobicContact CD1-CG 4.29Å; L493-F529 HydrophobicContact CD2-CB 3.95Å; L493-F529 HydrophobicContact CD2-CD1 3.67Å; L493-F529 HydrophobicContact CD2-CD2 4.5Å; L493-F529 HydrophobicContact CD2-CE1 4.31Å; L493-F529 HydrophobicContact CD2-CG 3.78Å; A513-F529 HydrophobicContact CB-CD2 4.08Å; A513-F529 HydrophobicContact CB-CE2 3.56Å; A513-F529 HydrophobicContact CB-CZ 4.36Å; P516-F529 HydrophobicContact CB-CD2 4.42Å; F518-F529 CarbonylContact O-C 3.53Å; F518-F529 WeakPolarHBondContact O-CA 3.44Å; V519-F529 HydrophobicContact CG2-CB 4.38Å; F529-Q531 HydrophobicContact CD2-CB 4.41Å; F529-Q531 HydrophobicContact CE2-CB 4.18Å; F529-I552 CarbonylContact O-C 3.57Å; F529-I552 WeakPolarHBondContact O-CA 3.35Å; F529-G553 PolarHBondContact N-O 3.36Å; F529-G553 PolarHBondContact O-N 3.42Å; F529-V555 HydrophobicContact CD1-CG1 4.12Å; F529-V555 HydrophobicContact CE1-CB 4.04Å; F529-V555 HydrophobicContact CE1-CG1 3.87Å; F529-L561 HydrophobicContact CZ-CD2 4.37Å
530T84.3Confident69.7Low2 Ų267.2 Ų67.21%0.01236%0.355CS..EExtended strand (participates in β ladder)trans-82.1143.7170.860.90000110.3P516 K517 F518 S551 I578 M581P516-T530 WeakPolarHBondContact CA-O 3.24Å; K517-T530 PolarHBondContact N-OG1 2.83Å; F518-T530 HydrophobicContact CB-CG2 4.09Å; F518-T530 PolarHBondContact N-OG1 3.41Å; F518-T530 PolarHBondContact O-N 3.39Å; T530-S551 CarbonylContact C-O 3.47Å; T530-S551 WeakPolarHBondContact CA-O 3.3Å; T530-I578 HydrophobicContact CG2-CB 4.44Å; T530-I578 HydrophobicContact CG2-CD1 3.89Å; T530-I578 HydrophobicContact CG2-CG2 4.17Å; T530-M581 HydrophobicContact CG2-SD 3.42Å; T530-M581 WeakPolarHBondContact CG2-SD 3.31Å
531Q79.1Confident67.2Low42 Ų4274.3 Ų74.320%0.19639%0.387CS..EExtended strand (participates in β ladder)trans-135132.3175.6-178169.4-400109.4A513 V514 F529 F550 S551A513-Q531 HydrophobicContact CB-CG 4.41Å; V514-Q531 HydrophobicContact CB-CG 3.9Å; V514-Q531 VanDerWaalsContact N-NE2 3.15Å; V514-Q531 WeakPolarHBondContact O-CG 3.38Å; F529-Q531 HydrophobicContact CD2-CB 4.41Å; F529-Q531 HydrophobicContact CE2-CB 4.18Å; Q531-F550 WeakPolarHBondContact O-CA 3.46Å; Q531-S551 PolarHBondContact N-O 3.29Å; Q531-S551 PolarHBondContact O-N 3.41Å
532G70.8Confident64.6Low12 Ų1282 Ų8212%0.12443%0.427CS..EExtended strand (participates in β ladder)trans-69.2131.5173.100000110.7V514V514-G532 WeakPolarHBondContact CB-O 3.44Å; V514-G532 WeakPolarHBondContact CG1-O 3.28Å; V514-G532 PolarHBondContact O-N 2.9Å
533L61.3Low61.9Low42 Ų4288.7 Ų88.722%0.2246%0.458CS..  trans-89.5116.5169.8-60.2166.5000107.3L535 G548 G549 F568L533-L535 PolarHBondContact O-N 3.2Å; L533-G548 CarbonylContact O-C 3.51Å; L533-G548 WeakPolarHBondContact O-CA 3.36Å; L533-G549 WeakPolarHBondContact CA-O 3.36Å; L533-G549 WeakPolarHBondContact CB-O 3.42Å; L533-G549 WeakPolarHBondContact CG-O 3.45Å; L533-G549 PolarHBondContact N-O 3.4Å; L533-F568 HydrophobicContact CD1-CD1 4.35Å; L533-F568 HydrophobicContact CD1-CE1 4.01Å
534G48.3Very low59.6Low40 Ų4092.3 Ų92.341%0.41246%0.458SS..  trans-84.2103.5159.300000108.3N536G534-N536 PolarHBondContact O-N 2.74Å
535L43.1Very low57.1Low84 Ų8493 Ų9344%0.4446%0.461SS..  trans-77.2103.8164.8-70.1171.6000107L533 L537L533-L535 PolarHBondContact O-N 3.2Å; L535-L537 HydrophobicContact CB-CD1 4.23Å; L535-L537 PolarHBondContact O-N 3Å
536N35.7Very low54.8Low135 Ų13598 Ų9872%0.72249%0.485SS*.  trans-70.682.6161-84.6-20000107.7G534 E538G534-N536 PolarHBondContact O-N 2.74Å; N536-E538 PolarHBondContact O-N 3.48Å
537L37.6Very low52.4Low123 Ų123103.7 Ų103.764%0.64451%0.51SS*.  trans-79.3106.7157.5-90.6129.2000106.5L535 N539L535-L537 HydrophobicContact CB-CD1 4.23Å; L535-L537 PolarHBondContact O-N 3Å; L537-N539 PolarHBondContact O-N 3.02Å
538E36.9Very low50.2Low193 Ų193104 Ų10490%0.90251%0.513SS*.  trans-62.182.3166.1-74.6-174.7162.800109N536N536-E538 PolarHBondContact O-N 3.48Å
539N35.5Very low48.6Very low137 Ų137103.1 Ų103.173%0.73351%0.513SS*.  trans-91.6136.6160.2-99.3-20000108.5L537 Q541L537-N539 PolarHBondContact O-N 3.02Å; N539-Q541 PolarHBondContact O-N 3.14Å
540R39.3Very low47.6Very low253 Ų253103.9 Ų103.996%0.95552%0.517SS*.SBendtrans-60.430.5-167.7-90.9-179.7161.4-177.2-4117.4
541Q39.4Very low47.2Very low166 Ų166103.8 Ų103.878%0.77652%0.516SS*.SBendtrans-133.5127.5170.4-67-175.2-14.600108N539 E543N539-Q541 PolarHBondContact O-N 3.14Å; Q541-E543 PolarHBondContact O-N 3.45Å
542N37.8Very low47.5Very low181 Ų181101.9 Ų101.997%0.96851%0.507SS*.SBendtrans-66.647.2-173.7-102.4-3.8000114
543E32.2Very low48.2Very low152 Ų152101.5 Ų101.571%0.7150%0.503SS*.  trans-122.2118.4168.5-73.5-172.4168.300109Q541 H545Q541-E543 PolarHBondContact O-N 3.45Å; E543-H545 PolarHBondContact O-N 2.95Å
544H36.9Very low49.4Very low174 Ų174100 Ų10081%0.80650%0.496SS*.  trans-72.375.7174.2-64.1-70.8000110.3L546H544-L546 PolarHBondContact O-N 3.4Å
545H34.2Very low51.4Low157 Ų15798.1 Ų98.173%0.72748%0.477SS*.  trans-77.7102.2162.1-101.477.8000108.5E543 E547E543-H545 PolarHBondContact O-N 2.95Å; H545-E547 PolarHBondContact O-N 3.06Å; H545-E547 VanDerWaalsContact O-N 3.11Å
546L39Very low53.3Low108 Ų10894.7 Ų94.757%0.56546%0.462SS*.  trans-73.888168.8-78.1146000108.4H544 G548H544-L546 PolarHBondContact O-N 3.4Å; L546-G548 PolarHBondContact O-N 3.26Å
547E38.3Very low55.1Low148 Ų14892.4 Ų92.469%0.69245%0.454SS*.  trans-75.4107.1160.2-75.7-172.3162.900107.6H545H545-E547 PolarHBondContact O-N 3.06Å; H545-E547 VanDerWaalsContact O-N 3.11Å
548G45.3Very low56.8Low6 Ų691.4 Ų91.46%0.06245%0.45CS..  trans-136.7103.9-161.100000115.2L533 L546 E571L533-G548 CarbonylContact O-C 3.51Å; L533-G548 WeakPolarHBondContact O-CA 3.36Å; L546-G548 PolarHBondContact O-N 3.26Å; G548-E571 PolarHBondContact N-OE2 3.45Å
549G56.5Low58.5Low11 Ų1183.3 Ų83.311%0.11342%0.418CS..  trans-62.9165.1166.800000112.6L533L533-G549 WeakPolarHBondContact CA-O 3.36Å; L533-G549 WeakPolarHBondContact CB-O 3.42Å; L533-G549 WeakPolarHBondContact CG-O 3.45Å; L533-G549 PolarHBondContact N-O 3.4Å
550F67.9Low60.5Low16 Ų1683.2 Ų83.27%0.0741%0.413CS..EExtended strand (participates in β ladder)trans-97.6150.4170-67.9-93000110.5Q531 F569 C577 I578Q531-F550 WeakPolarHBondContact O-CA 3.46Å; F550-F569 HydrophobicContact CB-CD2 4.27Å; F550-C577 HydrophobicContact CD2-CB 3.34Å; F550-C577 HydrophobicContact CE2-CB 3.14Å; F550-C577 HydrophobicContact CG-CB 4.38Å; F550-C577 HydrophobicContact CZ-CB 4.04Å; F550-I578 HydrophobicContact CB-CD1 4.21Å
551S76.8Confident62.4Low0 Ų077 Ų770%040%0.399CS..EExtended strand (participates in β ladder)trans-123.2160.9168.263.70000110.2T530 Q531 Q564T530-S551 CarbonylContact C-O 3.47Å; T530-S551 WeakPolarHBondContact CA-O 3.3Å; Q531-S551 PolarHBondContact N-O 3.29Å; Q531-S551 PolarHBondContact O-N 3.41Å; S551-Q564 PolarHBondContact OG-NE2 2.92Å
552I84.3Confident64Low1 Ų171.3 Ų71.31%0.00538%0.384CS..EExtended strand (participates in β ladder)trans-106.8113.7176.1-59170.9000107.8F529 Q564 I565 I578 M581 L589 V591F529-I552 CarbonylContact O-C 3.57Å; F529-I552 WeakPolarHBondContact O-CA 3.35Å; I552-Q564 WeakPolarHBondContact O-CA 3.33Å; I552-I565 HydrophobicContact CB-CB 4.3Å; I552-I565 PolarHBondContact N-O 3.5Å; I552-I565 VanDerWaalsContact N-O 3.09Å; I552-I565 PolarHBondContact O-N 3.33Å; I552-I578 HydrophobicContact CG1-CD1 4.49Å; I552-M581 HydrophobicContact CD1-CE 4.26Å; I552-M581 HydrophobicContact CG1-CE 4.4Å; I552-M581 HydrophobicContact CG2-CE 3.66Å; I552-L589 HydrophobicContact CD1-CD2 3.84Å; I552-L589 HydrophobicContact CG2-CD2 3.88Å; I552-V591 HydrophobicContact CD1-CG2 3.75Å
553G85.1Confident65.6Low5 Ų570.3 Ų70.35%0.05237%0.366CS..EExtended strand (participates in β ladder)trans-89155.8171.600000111.1Y528 F529Y528-G553 WeakPolarHBondContact CA-O 3.3Å; F529-G553 PolarHBondContact N-O 3.36Å; F529-G553 PolarHBondContact O-N 3.42Å
554S87.9Confident67.5Low10 Ų1068.2 Ų68.27%0.0736%0.357CS..EExtended strand (participates in β ladder)trans-122.9147.5166.7580000109.8V527 G562 R563V527-S554 CarbonylContact O-C 3.58Å; V527-S554 VanDerWaalsContact O-CA 3.28Å; V527-S554 WeakPolarHBondContact O-CA 3.32Å; S554-G562 PolarHBondContact O-N 3Å; S554-G562 VanDerWaalsContact OG-C 3.25Å; S554-G562 WeakPolarHBondContact OG-CA 3.47Å; S554-R563 PolarHBondContact N-O 3.02Å; S554-R563 PolarHBondContact OG-N 3.39Å; S554-R563 PolarHBondContact OG-O 3.47Å
555V88.8Confident69.2Low0 Ų062.1 Ų62.10%033%0.329CS..EExtended strand (participates in β ladder)trans-139.3132.4175.963.20000108.9L510 C511 V527 F529 Q560L510-V555 HydrophobicContact CD2-CG1 3.84Å; L510-V555 HydrophobicContact CG-CG1 4.39Å; L510-V555 HydrophobicContact CG-CG2 4.4Å; C511-V555 HydrophobicContact CB-CG2 4.28Å; V527-V555 HydrophobicContact CB-CG1 3.7Å; V527-V555 HydrophobicContact CG1-CG1 4.19Å; V527-V555 PolarHBondContact N-O 2.94Å; V527-V555 PolarHBondContact O-N 3.48Å; F529-V555 HydrophobicContact CD1-CG1 4.12Å; F529-V555 HydrophobicContact CE1-CB 4.04Å; F529-V555 HydrophobicContact CE1-CG1 3.87Å; V555-Q560 CarbonylContact C-O 3.55Å; V555-Q560 WeakPolarHBondContact CA-O 3.5Å; V555-Q560 WeakPolarHBondContact CG2-O 3.33Å
556G84Confident70.5Confident13 Ų1359 Ų5913%0.13433%0.325CS..  trans-68.6164.517500000112.1D558 G559 Q560G556-D558 PolarHBondContact O-N 3.13Å; G556-G559 PolarHBondContact O-N 2.92Å; G556-Q560 PolarHBondContact N-O 3.03Å
557P73.9Confident71.5Confident86 Ų8654.8 Ų54.856%0.55830%0.303SS*.THydrogen-bonded Turntrans-64.4-18177.325.4-32.8000113.3G559P557-G559 VanDerWaalsContact C-N 3.32Å
558D73.6Confident72.4Confident102 Ų10253.5 Ų53.555%0.54530%0.295SS..THydrogen-bonded Turntrans-85.4-1.2173.564.4-20.2000113.7G556 Q560G556-D558 PolarHBondContact O-N 3.13Å; D558-Q560 VanDerWaalsContact C-N 3.35Å; D558-Q560 PolarHBondContact OD1-N 3.39Å; D558-Q560 VanDerWaalsContact OD2-CG 3.27Å; D558-Q560 WeakPolarHBondContact OD2-CG 3.5Å; D558-Q560 PolarHBondContact OD2-NE2 3.35Å
559G70.8Confident73Confident23 Ų2353.3 Ų53.324%0.23729%0.293CS..SBendtrans84.64.1-178.300000114.2G556 P557G556-G559 PolarHBondContact O-N 2.92Å; P557-G559 VanDerWaalsContact C-N 3.32Å
560Q77.7Confident72.5Confident135 Ų13555.8 Ų55.863%0.63131%0.308SS*.  trans-73.5128.8175.1-72-172.645.400111.1V555 G556 D558 G562V555-Q560 CarbonylContact C-O 3.55Å; V555-Q560 WeakPolarHBondContact CA-O 3.5Å; V555-Q560 WeakPolarHBondContact CG2-O 3.33Å; G556-Q560 PolarHBondContact N-O 3.03Å; D558-Q560 VanDerWaalsContact C-N 3.35Å; D558-Q560 PolarHBondContact OD1-N 3.39Å; D558-Q560 VanDerWaalsContact OD2-CG 3.27Å; D558-Q560 WeakPolarHBondContact OD2-CG 3.5Å; D558-Q560 PolarHBondContact OD2-NE2 3.35Å; Q560-G562 PolarHBondContact O-N 3.44Å
561L79.4Confident71.6Confident124 Ų12459.3 Ų59.365%0.64933%0.325SS*.BIsolated β-bridgetrans-68.6125.5176.2-81143.1000110.3F529F529-L561 HydrophobicContact CZ-CD2 4.37Å
562G73.2Confident69.9Low45 Ų4564.4 Ų64.446%0.46435%0.352SS..  trans-96-157.7177.700000113S554 Q560S554-G562 PolarHBondContact O-N 3Å; S554-G562 VanDerWaalsContact OG-C 3.25Å; S554-G562 WeakPolarHBondContact OG-CA 3.47Å; Q560-G562 PolarHBondContact O-N 3.44Å
563R71.4Confident67.8Low160 Ų16072.5 Ų72.560%0.60439%0.39SS*.  trans-63.6135.7-179.1-169.6178.1-177.7-176.22.4111.5S554 K604S554-R563 PolarHBondContact N-O 3.02Å; S554-R563 PolarHBondContact OG-N 3.39Å; S554-R563 PolarHBondContact OG-O 3.47Å; R563-K604 PolarHBondContact NH1-O 2.89Å
564Q73.4Confident65.5Low109 Ų10978.1 Ų78.151%0.50942%0.419SS..  trans-97.6132.9170.3-168.71784.800110S551 I552S551-Q564 PolarHBondContact OG-NE2 2.92Å; I552-Q564 WeakPolarHBondContact O-CA 3.33Å
565I71.5Confident63.1Low45 Ų4586.1 Ų86.123%0.23145%0.453CS..BIsolated β-bridgetrans-102108.6174.7-55.3171.5000107.3I552 H567 L589 F602I552-I565 HydrophobicContact CB-CB 4.3Å; I552-I565 PolarHBondContact N-O 3.5Å; I552-I565 VanDerWaalsContact N-O 3.09Å; I552-I565 PolarHBondContact O-N 3.33Å; I565-H567 PolarHBondContact O-N 2.94Å; I565-L589 HydrophobicContact CD1-CD2 4.3Å; I565-F602 HydrophobicContact CG2-CD1 3.89Å; I565-F602 HydrophobicContact CG2-CE1 4.01Å
566S61.2Low61.1Low92 Ų9291.5 Ų91.564%0.64347%0.473SS*.  trans-85.889.8177.357.60000110
567H60.4Low59.6Low20 Ų2091.7 Ų91.79%0.09347%0.472CS..  trans-122.1114.3170.6-171-76.4000108.5I565 F569 F602 Y608I565-H567 PolarHBondContact O-N 2.94Å; H567-F569 HydrophobicContact CB-CE2 4.06Å; H567-F569 HydrophobicContact CB-CZ 4.29Å; H567-F569 AromaticContact ND1-CE1 3.69Å; H567-F569 AromaticContact ND1-CE2 3.74Å; H567-F569 AromaticContact ND1-CZ 3.47Å; H567-F569 WeakPolarHBondContact ND1-CZ 3.42Å; H567-F569 WeakPolarHBondContact O-CD2 3.39Å; H567-F569 WeakPolarHBondContact O-CE2 3.37Å; H567-F569 PolarHBondContact O-N 3Å; H567-F602 HydrophobicContact CB-CE1 3.94Å; H567-F602 HydrophobicContact CB-CZ 4Å; H567-F602 AromaticContact CD2-CE1 3.84Å; H567-F602 AromaticContact CD2-CZ 3.85Å; H567-F602 AromaticContact CG-CE1 3.99Å; H567-F602 AromaticContact CG-CZ 3.8Å; H567-Y608 AromaticContact CD2-CD1 3.59Å; H567-Y608 AromaticContact CD2-CE1 3.65Å; H567-Y608 AromaticContact CD2-CG 3.93Å; H567-Y608 AromaticContact NE2-CD1 3.79Å; H567-Y608 AromaticContact NE2-CD2 3.85Å; H567-Y608 AromaticContact NE2-CE1 3.51Å; H567-Y608 AromaticContact NE2-CE2 3.59Å; H567-Y608 AromaticContact NE2-CG 3.95Å; H567-Y608 AromaticContact NE2-CZ 3.4Å
568F56.5Low58.8Low120 Ų12087.7 Ų87.753%0.52645%0.446SS..PPolyproline II helixtrans-77.1120.7-175.2-62.2-87.8000110.8L533L533-F568 HydrophobicContact CD1-CD1 4.35Å; L533-F568 HydrophobicContact CD1-CE1 4.01Å
569F59.3Low58.4Low3 Ų383.1 Ų83.11%0.01342%0.422CS..PPolyproline II helixtrans-101.9131.5171.8-59.7-86.8000108.3F550 H567 I578 V591 D593 L600 F602F550-F569 HydrophobicContact CB-CD2 4.27Å; H567-F569 HydrophobicContact CB-CE2 4.06Å; H567-F569 HydrophobicContact CB-CZ 4.29Å; H567-F569 AromaticContact ND1-CE1 3.69Å; H567-F569 AromaticContact ND1-CE2 3.74Å; H567-F569 AromaticContact ND1-CZ 3.47Å; H567-F569 WeakPolarHBondContact ND1-CZ 3.42Å; H567-F569 WeakPolarHBondContact O-CD2 3.39Å; H567-F569 WeakPolarHBondContact O-CE2 3.37Å; H567-F569 PolarHBondContact O-N 3Å; F569-I578 HydrophobicContact CB-CG1 4.42Å; F569-I578 HydrophobicContact CD1-CD1 4.33Å; F569-I578 HydrophobicContact CD1-CG1 3.74Å; F569-I578 HydrophobicContact CD2-CD1 3.36Å; F569-I578 HydrophobicContact CD2-CG1 3.63Å; F569-I578 HydrophobicContact CE1-CD1 4.19Å; F569-I578 HydrophobicContact CE1-CG1 3.81Å; F569-I578 HydrophobicContact CE2-CD1 3.18Å; F569-I578 HydrophobicContact CE2-CG1 3.71Å; F569-I578 HydrophobicContact CG-CD1 3.95Å; F569-I578 HydrophobicContact CG-CG1 3.65Å; F569-I578 HydrophobicContact CZ-CD1 3.63Å; F569-I578 HydrophobicContact CZ-CG1 3.79Å; F569-V591 HydrophobicContact CZ-CG1 4.25Å; F569-D593 HydrophobicContact CD1-CB 4.32Å; F569-D593 WeakPolarHBondContact CD1-OD2 3.18Å; F569-D593 HydrophobicContact CE1-CB 4.24Å; F569-L600 HydrophobicContact CE1-CD1 3.76Å; F569-L600 HydrophobicContact CZ-CD1 4.22Å; F569-F602 HydrophobicContact CZ-CZ 4.47Å
570S45.6Very low58.9Low63 Ų6382.3 Ų82.344%0.44141%0.414SS..PPolyproline II helixtrans-80.8137.6-172.577.10000112.4N572S570-N572 PolarHBondContact O-N 3.2Å
571E49.4Very low59.4Low90 Ų9076.6 Ų76.642%0.42139%0.388SS..  trans-81.8106.5175.6-67.4-174126.500110.1G548G548-E571 PolarHBondContact N-OE2 3.45Å
572N41.3Very low59.9Low106 Ų10671.2 Ų71.257%0.56736%0.36SS*.  trans-116.9122.2148.4-87.4-25.2000106.5S570 R576S570-N572 PolarHBondContact O-N 3.2Å; N572-R576 WeakPolarHBondContact O-CB 3.49Å
573E38.4Very low60.8Low171 Ų17170.2 Ų70.280%0.79935%0.345SS*.SBendtrans-49.5147.7-172.7-61.4-177.8145.300111.8R576E573-R576 PolarHBondContact O-NH2 3.48Å
574D36.8Very low61.5Low123 Ų12363.1 Ų63.166%0.65832%0.319SS*.SBendtrans80.6106.7-170.9-53.7-31.2000115.7R576D574-R576 VanDerWaalsContact C-N 3.26Å; D574-R576 WeakPolarHBondContact O-CB 3.39Å; D574-R576 VanDerWaalsContact O-CG 3.28Å; D574-R576 WeakPolarHBondContact O-CG 3.26Å; D574-R576 PolarHBondContact O-N 2.9Å; D574-R576 PolarHBondContact O-NE 2.77Å
575F38.8Very low62Low178 Ų17862.5 Ų62.578%0.78133%0.333SS*.SBendtrans59.46.2163.9-68.1-87.2000119.2
576R45.8Very low62.5Low113 Ų11364.6 Ų64.643%0.42634%0.337SS..  trans-101-3.4-155.5-92.3177.9-106.4-160.90.4120.1N572 E573 D574 S594 S595N572-R576 WeakPolarHBondContact O-CB 3.49Å; E573-R576 PolarHBondContact O-NH2 3.48Å; D574-R576 VanDerWaalsContact C-N 3.26Å; D574-R576 WeakPolarHBondContact O-CB 3.39Å; D574-R576 VanDerWaalsContact O-CG 3.28Å; D574-R576 WeakPolarHBondContact O-CG 3.26Å; D574-R576 PolarHBondContact O-N 2.9Å; D574-R576 PolarHBondContact O-NE 2.77Å; R576-S594 PolarHBondContact O-OG 3.11Å; R576-S595 VanDerWaalsContact O-CB 3.27Å; R576-S595 WeakPolarHBondContact O-CB 3.24Å; R576-S595 PolarHBondContact O-N 2.77Å
577C52.1Low63.6Low18 Ų1860.5 Ų60.512%0.12231%0.31CS..SBendtrans-111.2101.3-170.8-45.40000111.4F550F550-C577 HydrophobicContact CD2-CB 3.34Å; F550-C577 HydrophobicContact CE2-CB 3.14Å; F550-C577 HydrophobicContact CG-CB 4.38Å; F550-C577 HydrophobicContact CZ-CB 4.04Å
578I58.3Low65Low2 Ų260.4 Ų60.41%0.0131%0.31CS..  trans50.6117.6-174.4-50.9172.3000113.1F518 T530 F550 I552 F569 M581 V591 A592F518-I578 WeakPolarHBondContact CD2-O 3.47Å; F518-I578 WeakPolarHBondContact CE2-O 3.36Å; T530-I578 HydrophobicContact CG2-CB 4.44Å; T530-I578 HydrophobicContact CG2-CD1 3.89Å; T530-I578 HydrophobicContact CG2-CG2 4.17Å; F550-I578 HydrophobicContact CB-CD1 4.21Å; I552-I578 HydrophobicContact CG1-CD1 4.49Å; F569-I578 HydrophobicContact CB-CG1 4.42Å; F569-I578 HydrophobicContact CD1-CD1 4.33Å; F569-I578 HydrophobicContact CD1-CG1 3.74Å; F569-I578 HydrophobicContact CD2-CD1 3.36Å; F569-I578 HydrophobicContact CD2-CG1 3.63Å; F569-I578 HydrophobicContact CE1-CD1 4.19Å; F569-I578 HydrophobicContact CE1-CG1 3.81Å; F569-I578 HydrophobicContact CE2-CD1 3.18Å; F569-I578 HydrophobicContact CE2-CG1 3.71Å; F569-I578 HydrophobicContact CG-CD1 3.95Å; F569-I578 HydrophobicContact CG-CG1 3.65Å; F569-I578 HydrophobicContact CZ-CD1 3.63Å; F569-I578 HydrophobicContact CZ-CG1 3.79Å; I578-M581 HydrophobicContact CG2-CG 4.2Å; I578-V591 HydrophobicContact CD1-CG1 4.38Å; I578-V591 HydrophobicContact CG1-CG1 4.28Å; I578-V591 HydrophobicContact CG2-CG1 3.55Å; I578-A592 WeakPolarHBondContact CA-O 3.44Å
579A65.6Low66.5Low5 Ų555 Ų554%0.04129%0.287CS..  trans-110.2-14-172.100000113.9F518 A592 P619 V620F518-A579 WeakPolarHBondContact CD1-O 3.46Å; F518-A579 WeakPolarHBondContact CE1-O 3.47Å; F518-A579 WeakPolarHBondContact CZ-O 3.29Å; A579-A592 PolarHBondContact N-O 3.41Å; A579-A592 VanDerWaalsContact N-O 3.08Å; A579-P619 VanDerWaalsContact CB-O 3.32Å; A579-P619 WeakPolarHBondContact CB-O 3.37Å; A579-V620 CarbonylContact C-O 3.49Å; A579-V620 VanDerWaalsContact CB-CA 3.5Å; A579-V620 HydrophobicContact CB-CB 4.08Å; A579-V620 HydrophobicContact CB-CG1 3.95Å; A579-V620 HydrophobicContact CB-CG2 4.18Å
580G80.1Confident68Low6 Ų654.8 Ų54.86%0.06229%0.286CS..EExtended strand (participates in β ladder)trans-168.4153.3178.600000113.3A592 V620G580-A592 PolarHBondContact O-N 2.84Å; G580-V620 WeakPolarHBondContact CA-O 2.93Å; G580-V620 PolarHBondContact N-O 3.4Å
581M89.1Confident70.1Confident16 Ų1651.8 Ų51.88%0.07927%0.265CS..EExtended strand (participates in β ladder)trans-140.5145-178.3-64.717353.600110.1F518 T520 T530 I552 I578 L589 I590 V591F518-M581 HydrophobicContact CB-SD 4.26Å; T520-M581 HydrophobicContact CG2-CB 3.91Å; T520-M581 HydrophobicContact CG2-CE 4.14Å; T530-M581 HydrophobicContact CG2-SD 3.42Å; T530-M581 WeakPolarHBondContact CG2-SD 3.31Å; I552-M581 HydrophobicContact CD1-CE 4.26Å; I552-M581 HydrophobicContact CG1-CE 4.4Å; I552-M581 HydrophobicContact CG2-CE 3.66Å; I578-M581 HydrophobicContact CG2-CG 4.2Å; M581-L589 HydrophobicContact CE-CD1 3.71Å; M581-L589 HydrophobicContact CE-CD2 3.89Å; M581-L589 HydrophobicContact CE-CG 4.27Å; M581-I590 WeakPolarHBondContact CA-O 3.38Å; M581-V591 HydrophobicContact CG-CG1 4.36Å; M581-V591 HydrophobicContact CG-CG2 4.23Å
582C90.6Very high71.9Confident11 Ų1147.5 Ų47.57%0.07425%0.245CC..EExtended strand (participates in β ladder)trans-147160.6167.873.40000110.6I590 I622C582-I590 PolarHBondContact N-O 2.94Å; C582-I590 PolarHBondContact O-N 3.26Å; C582-I622 HydrophobicContact CB-CG2 4.47Å; C582-I622 WeakPolarHBondContact SG-CG2 3.44Å
583V90.3Very high73.9Confident23 Ų2342.5 Ų42.514%0.13922%0.218CC..EExtended strand (participates in β ladder)trans-112.5138.1178.4-172.50000109.1T520 D522 Y528 G587 D588 L589T520-V583 HydrophobicContact CG2-CG2 3.75Å; D522-V583 HydrophobicContact CB-CB 4.43Å; D522-V583 HydrophobicContact CB-CG1 3.88Å; Y528-V583 HydrophobicContact CD2-CG2 3.83Å; Y528-V583 HydrophobicContact CE2-CG2 4.06Å; V583-G587 VanDerWaalsContact CG1-CA 3.48Å; V583-D588 WeakPolarHBondContact CA-O 2.9Å; V583-L589 HydrophobicContact CG2-CD1 3.9Å
584D88Confident75.8Confident11 Ų1134.6 Ų34.66%0.05918%0.182CC..  trans-83.1177.1175.691.6-16.6000112.6R586 G587 D588 L624 Y645 L647D584-R586 PolarHBondContact O-N 3.04Å; D584-R586 WeakPolarHBondContact OD1-CA 3.02Å; D584-R586 WeakPolarHBondContact OD1-CB 3.47Å; D584-R586 PolarHBondContact OD1-N 3Å; D584-G587 PolarHBondContact O-N 3.31Å; D584-G587 VanDerWaalsContact O-N 3.07Å; D584-G587 PolarHBondContact OD1-N 3.44Å; D584-D588 PolarHBondContact N-O 3.27Å; D584-D588 WeakPolarHBondContact OD1-CB 3.49Å; D584-D588 PolarHBondContact OD1-N 2.92Å; D584-L624 VanDerWaalsContact CA-CD1 3.46Å; D584-L624 HydrophobicContact CB-CD1 3.52Å; D584-Y645 HydrophobicContact CB-CE1 4.11Å; D584-Y645 PolarHBondContact OD2-OH 3.29Å; D584-L647 WeakPolarHBondContact OD2-CD2 3.49Å
585A82.6Confident77.6Confident97 Ų9730.3 Ų30.380%0.80216%0.161SC*.THydrogen-bonded Turntrans-68.2-14.4-179.700000114.4
586R82.5Confident79.5Confident88 Ų8827.8 Ų27.833%0.33215%0.147SC..THydrogen-bonded Turntrans-90.3-12.3174-61.8173.6-176173.87.3111.8D584 L647 R648D584-R586 PolarHBondContact O-N 3.04Å; D584-R586 WeakPolarHBondContact OD1-CA 3.02Å; D584-R586 WeakPolarHBondContact OD1-CB 3.47Å; D584-R586 PolarHBondContact OD1-N 3Å; R586-L647 HydrophobicContact CG-CD2 3.61Å; R586-L647 VanDerWaalsContact NH2-CA 3.34Å; R586-R648 VanDerWaalsContact NH2-C 3.29Å; R586-R648 PolarHBondContact NH2-O 3.18Å
587G85.1Confident81.4Confident7 Ų727.5 Ų27.57%0.07215%0.149CC..SBendtrans88.412.1-172.200000113.6V583 D584 K604V583-G587 VanDerWaalsContact CG1-CA 3.48Å; D584-G587 PolarHBondContact O-N 3.31Å; D584-G587 VanDerWaalsContact O-N 3.07Å; D584-G587 PolarHBondContact OD1-N 3.44Å; G587-K604 WeakPolarHBondContact O-CG 3.45Å
588D88Confident83Confident18 Ų1828 Ų2810%0.09615%0.149CC..  trans-75.9139.8172.5-62-28000109.6V583 D584 H601 P603 K604V583-D588 WeakPolarHBondContact CA-O 2.9Å; D584-D588 PolarHBondContact N-O 3.27Å; D584-D588 WeakPolarHBondContact OD1-CB 3.49Å; D584-D588 PolarHBondContact OD1-N 2.92Å; D588-H601 VanDerWaalsContact CB-NE2 3.35Å; D588-H601 WeakPolarHBondContact CB-NE2 3.49Å; D588-H601 IonicContact OD2-CE1 3.54Å; D588-H601 IonicContact OD2-NE2 3.83Å; D588-P603 VanDerWaalsContact OD1-CA 3.24Å; D588-P603 WeakPolarHBondContact OD1-CA 3.34Å; D588-K604 PolarHBondContact OD1-N 2.86Å
589L89.4Confident84.5Confident5 Ų527.9 Ų27.93%0.02615%0.148CC..EExtended strand (participates in β ladder)trans-98.7128.3-171.6-179.176.4000110.5T520 Y528 I552 I565 M581 V583 V591 F602T520-L589 HydrophobicContact CG2-CD1 3.97Å; Y528-L589 HydrophobicContact CG-CD1 4.39Å; I552-L589 HydrophobicContact CD1-CD2 3.84Å; I552-L589 HydrophobicContact CG2-CD2 3.88Å; I565-L589 HydrophobicContact CD1-CD2 4.3Å; M581-L589 HydrophobicContact CE-CD1 3.71Å; M581-L589 HydrophobicContact CE-CD2 3.89Å; M581-L589 HydrophobicContact CE-CG 4.27Å; V583-L589 HydrophobicContact CG2-CD1 3.9Å; L589-V591 HydrophobicContact CD2-CG2 3.92Å; L589-V591 HydrophobicContact CG-CG2 3.91Å; L589-F602 HydrophobicContact CB-CB 4.16Å; L589-F602 PolarHBondContact N-O 2.72Å; L589-F602 PolarHBondContact O-N 3.25Å
590I90.3Very high85.5Confident0 Ų027.8 Ų27.80%015%0.147CC..EExtended strand (participates in β ladder)trans-111.1127.9176.9-50179.6000109M581 C582 I599 L600 L611 I622 L624 L630 Y645M581-I590 WeakPolarHBondContact CA-O 3.38Å; C582-I590 PolarHBondContact N-O 2.94Å; C582-I590 PolarHBondContact O-N 3.26Å; I590-I599 HydrophobicContact CG2-CG2 3.48Å; I590-I599 VanDerWaalsContact CG2-CG2 3.48Å; I590-L600 CarbonylContact C-O 3.52Å; I590-L600 WeakPolarHBondContact CA-O 3.26Å; I590-L600 WeakPolarHBondContact CG2-O 3.46Å; I590-L611 HydrophobicContact CD1-CD1 4.41Å; I590-L611 HydrophobicContact CG2-CD1 4.11Å; I590-I622 HydrophobicContact CG2-CD1 4.13Å; I590-I622 HydrophobicContact CG2-CG2 4.37Å; I590-L624 HydrophobicContact CD1-CD1 3.82Å; I590-L624 HydrophobicContact CD1-CD2 4.16Å; I590-L624 HydrophobicContact CD1-CG 4.22Å; I590-L630 HydrophobicContact CD1-CD1 4.05Å; I590-L630 HydrophobicContact CG2-CD1 4.28Å; I590-Y645 HydrophobicContact CD1-CD2 4.46Å; I590-Y645 HydrophobicContact CD1-CE1 4.25Å; I590-Y645 HydrophobicContact CD1-CE2 3.9Å
591V88.7Confident85.9Confident0 Ų028.6 Ų28.60%015%0.149CC..EExtended strand (participates in β ladder)trans-128.3134.7-170-1790000110.1I552 F569 I578 M581 L589 L600 F602I552-V591 HydrophobicContact CD1-CG2 3.75Å; F569-V591 HydrophobicContact CZ-CG1 4.25Å; I578-V591 HydrophobicContact CD1-CG1 4.38Å; I578-V591 HydrophobicContact CG1-CG1 4.28Å; I578-V591 HydrophobicContact CG2-CG1 3.55Å; M581-V591 HydrophobicContact CG-CG1 4.36Å; M581-V591 HydrophobicContact CG-CG2 4.23Å; L589-V591 HydrophobicContact CD2-CG2 3.92Å; L589-V591 HydrophobicContact CG-CG2 3.91Å; V591-L600 PolarHBondContact N-O 2.8Å; V591-L600 PolarHBondContact O-N 3.4Å; V591-F602 HydrophobicContact CB-CD2 4.35Å; V591-F602 HydrophobicContact CB-CE2 4Å; V591-F602 HydrophobicContact CG2-CD2 3.76Å; V591-F602 HydrophobicContact CG2-CE2 3.75Å
592A87.7Confident85.8Confident0 Ų028.1 Ų28.10%015%0.147CC..EExtended strand (participates in β ladder)trans-92.7117.8173.800000109.5I578 A579 G580 I599 P619 I622I578-A592 WeakPolarHBondContact CA-O 3.44Å; A579-A592 PolarHBondContact N-O 3.41Å; A579-A592 VanDerWaalsContact N-O 3.08Å; G580-A592 PolarHBondContact O-N 2.84Å; A592-I599 HydrophobicContact CB-CD1 3.87Å; A592-P619 HydrophobicContact CB-CB 4.11Å; A592-P619 HydrophobicContact CB-CG 4.44Å; A592-I622 HydrophobicContact CB-CD1 3.4Å; A592-I622 VanDerWaalsContact CB-CD1 3.4Å; A592-I622 HydrophobicContact CB-CG1 3.67Å
593D83.3Confident85.5Confident0 Ų029.7 Ų29.70%016%0.157CC..EExtended strand (participates in β ladder)trans-96.4100168.8-171.4-15.9000109.3F569 S595 R596 K597 E598F569-D593 HydrophobicContact CD1-CB 4.32Å; F569-D593 WeakPolarHBondContact CD1-OD2 3.18Å; F569-D593 HydrophobicContact CE1-CB 4.24Å; D593-S595 VanDerWaalsContact C-N 3.29Å; D593-S595 PolarHBondContact O-N 3.09Å; D593-S595 WeakPolarHBondContact OD1-CB 3.27Å; D593-S595 PolarHBondContact OD1-N 3.5Å; D593-S595 PolarHBondContact OD1-OG 3.01Å; D593-R596 HydrophobicContact CB-CB 4.36Å; D593-R596 PolarHBondContact OD1-N 2.84Å; D593-R596 VanDerWaalsContact OD2-CD 3.29Å; D593-R596 WeakPolarHBondContact OD2-CD 3.08Å; D593-R596 VanDerWaalsContact OD2-CG 3.32Å; D593-R596 WeakPolarHBondContact OD2-CG 3.49Å; D593-R596 IonicContact OD2-NE 2.88Å; D593-K597 WeakPolarHBondContact O-CA 3.39Å; D593-K597 PolarHBondContact O-N 3.11Å; D593-E598 PolarHBondContact N-O 3.06Å; D593-E598 PolarHBondContact O-N 3.44Å; D593-E598 VanDerWaalsContact O-N 3.15Å
594S79Confident84.8Confident6 Ų632.6 Ų32.64%0.04217%0.168CC..THydrogen-bonded Turntrans-70.2-24.9179600000113.2R576R576-S594 PolarHBondContact O-OG 3.11Å
595S75.4Confident84Confident32 Ų3235.7 Ų35.722%0.22420%0.202CC..THydrogen-bonded Turntrans-70.6-45.7177.4700000111.7R576 D593R576-S595 VanDerWaalsContact O-CB 3.27Å; R576-S595 WeakPolarHBondContact O-CB 3.24Å; R576-S595 PolarHBondContact O-N 2.77Å; D593-S595 VanDerWaalsContact C-N 3.29Å; D593-S595 PolarHBondContact O-N 3.09Å; D593-S595 WeakPolarHBondContact OD1-CB 3.27Å; D593-S595 PolarHBondContact OD1-N 3.5Å; D593-S595 PolarHBondContact OD1-OG 3.01Å
596R77.8Confident83.6Confident125 Ų12532.5 Ų32.547%0.47218%0.178SC..THydrogen-bonded Turntrans-86.5-12179.6-63-174.7-177.6-156.91113D593 E598D593-R596 HydrophobicContact CB-CB 4.36Å; D593-R596 PolarHBondContact OD1-N 2.84Å; D593-R596 VanDerWaalsContact OD2-CD 3.29Å; D593-R596 WeakPolarHBondContact OD2-CD 3.08Å; D593-R596 VanDerWaalsContact OD2-CG 3.32Å; D593-R596 WeakPolarHBondContact OD2-CG 3.49Å; D593-R596 IonicContact OD2-NE 2.88Å; R596-E598 HydrophobicContact CB-CB 4.37Å; R596-E598 HydrophobicContact CB-CG 4.08Å; R596-E598 PolarHBondContact O-N 3.46Å
597K85.4Confident83.3Confident108 Ų10831 Ų3147%0.4719%0.191SC..THydrogen-bonded Turntrans61.532-175.4-48.7171.1-178.2173.20112D593 L616D593-K597 WeakPolarHBondContact O-CA 3.39Å; D593-K597 PolarHBondContact O-N 3.11Å; K597-L616 HydrophobicContact CB-CB 4.42Å
598E86.2Confident83.2Confident27 Ų2736.8 Ų36.813%0.12621%0.211CC..EExtended strand (participates in β ladder)trans-118.1156-176.1-62.3-171.6140.500110.9D593 R596 V610 I612 R613D593-E598 PolarHBondContact N-O 3.06Å; D593-E598 PolarHBondContact O-N 3.44Å; D593-E598 VanDerWaalsContact O-N 3.15Å; R596-E598 HydrophobicContact CB-CB 4.37Å; R596-E598 HydrophobicContact CB-CG 4.08Å; R596-E598 PolarHBondContact O-N 3.46Å; E598-V610 HydrophobicContact CB-CG1 4.08Å; E598-V610 HydrophobicContact CG-CG1 4.3Å; E598-I612 VanDerWaalsContact CA-O 3.27Å; E598-I612 WeakPolarHBondContact CA-O 3.39Å; E598-I612 WeakPolarHBondContact CB-O 3.34Å; E598-R613 WeakPolarHBondContact OE1-CG 3.42Å; E598-R613 IonicContact OE1-CZ 3.13Å; E598-R613 IonicContact OE1-NH1 3.84Å; E598-R613 PolarHBondContact OE1-NH1 3.09Å
599I89.1Confident83Confident0 Ų038.1 Ų38.10%022%0.222CC..EExtended strand (participates in β ladder)trans-110.5123.3169-51.7-61.3000108.5I590 A592 L611 I612 L616 P619 I622 L630 V632I590-I599 HydrophobicContact CG2-CG2 3.48Å; I590-I599 VanDerWaalsContact CG2-CG2 3.48Å; A592-I599 HydrophobicContact CB-CD1 3.87Å; I599-L611 HydrophobicContact CG2-CD1 4.49Å; I599-L611 PolarHBondContact O-N 2.97Å; I599-I612 HydrophobicContact CB-CB 4.05Å; I599-I612 HydrophobicContact CB-CD1 4.25Å; I599-I612 HydrophobicContact CB-CG1 4.39Å; I599-I612 HydrophobicContact CG1-CB 3.99Å; I599-I612 HydrophobicContact CG1-CD1 3.91Å; I599-I612 HydrophobicContact CG1-CG1 4.39Å; I599-I612 PolarHBondContact N-O 3.46Å; I599-I612 PolarHBondContact O-N 2.91Å; I599-L616 HydrophobicContact CD1-CD1 3.89Å; I599-L616 HydrophobicContact CG1-CD1 3.65Å; I599-P619 HydrophobicContact CD1-CB 3.86Å; I599-P619 HydrophobicContact CD1-CG 4.27Å; I599-I622 HydrophobicContact CD1-CD1 3.97Å; I599-I622 HydrophobicContact CD1-CG1 4.32Å; I599-I622 HydrophobicContact CG2-CD1 3.99Å; I599-L630 HydrophobicContact CG2-CD2 4.31Å; I599-V632 HydrophobicContact CD1-CG1 3.95Å; I599-V632 HydrophobicContact CD1-CG2 4.2Å; I599-V632 HydrophobicContact CG1-CG2 4.2Å
600L87.5Confident82.8Confident4 Ų439 Ų392%0.02123%0.228CC..EExtended strand (participates in β ladder)trans-103.4148-177.3-55.5179.3000110.6F569 I590 V591 F602 Y608 S609 V610F569-L600 HydrophobicContact CE1-CD1 3.76Å; F569-L600 HydrophobicContact CZ-CD1 4.22Å; I590-L600 CarbonylContact C-O 3.52Å; I590-L600 WeakPolarHBondContact CA-O 3.26Å; I590-L600 WeakPolarHBondContact CG2-O 3.46Å; V591-L600 PolarHBondContact N-O 2.8Å; V591-L600 PolarHBondContact O-N 3.4Å; L600-F602 HydrophobicContact CB-CD2 4.28Å; L600-F602 HydrophobicContact CB-CE2 3.6Å; L600-F602 HydrophobicContact CB-CZ 4.27Å; L600-F602 HydrophobicContact CD1-CE2 4.06Å; L600-F602 HydrophobicContact CD1-CZ 4.05Å; L600-Y608 HydrophobicContact CD2-CD2 4.33Å; L600-S609 WeakPolarHBondContact CA-O 3.5Å; L600-V610 HydrophobicContact CD2-CB 4.33Å; L600-V610 HydrophobicContact CD2-CG1 4.24Å; L600-V610 HydrophobicContact CD2-CG2 3.78Å
601H88.1Confident82.5Confident22 Ų2239.8 Ų39.810%0.10223%0.232CC..EExtended strand (participates in β ladder)trans-124.7123.9175.6170.5-109.9000109.9D588 Y608 S609 L611D588-H601 VanDerWaalsContact CB-NE2 3.35Å; D588-H601 WeakPolarHBondContact CB-NE2 3.49Å; D588-H601 IonicContact OD2-CE1 3.54Å; D588-H601 IonicContact OD2-NE2 3.83Å; H601-Y608 CarbonylContact O-C 3.58Å; H601-Y608 VanDerWaalsContact O-CA 3.29Å; H601-Y608 WeakPolarHBondContact O-CA 3.44Å; H601-S609 PolarHBondContact N-O 3.04Å; H601-S609 PolarHBondContact ND1-OG 3.26Å; H601-S609 PolarHBondContact O-N 3.25Å; H601-S609 PolarHBondContact O-OG 2.98Å; H601-L611 HydrophobicContact CB-CD1 3.66Å; H601-L611 HydrophobicContact CB-CD2 4.06Å; H601-L611 HydrophobicContact CB-CG 3.58Å
602F86.8Confident82.3Confident6 Ų640.3 Ų40.33%0.02623%0.234CC..EExtended strand (participates in β ladder)trans-115100.7-177.5-67.8-91.9000109I565 H567 F569 L589 V591 L600 Y608I565-F602 HydrophobicContact CG2-CD1 3.89Å; I565-F602 HydrophobicContact CG2-CE1 4.01Å; H567-F602 HydrophobicContact CB-CE1 3.94Å; H567-F602 HydrophobicContact CB-CZ 4Å; H567-F602 AromaticContact CD2-CE1 3.84Å; H567-F602 AromaticContact CD2-CZ 3.85Å; H567-F602 AromaticContact CG-CE1 3.99Å; H567-F602 AromaticContact CG-CZ 3.8Å; F569-F602 HydrophobicContact CZ-CZ 4.47Å; L589-F602 HydrophobicContact CB-CB 4.16Å; L589-F602 PolarHBondContact N-O 2.72Å; L589-F602 PolarHBondContact O-N 3.25Å; V591-F602 HydrophobicContact CB-CD2 4.35Å; V591-F602 HydrophobicContact CB-CE2 4Å; V591-F602 HydrophobicContact CG2-CD2 3.76Å; V591-F602 HydrophobicContact CG2-CE2 3.75Å; L600-F602 HydrophobicContact CB-CD2 4.28Å; L600-F602 HydrophobicContact CB-CE2 3.6Å; L600-F602 HydrophobicContact CB-CZ 4.27Å; L600-F602 HydrophobicContact CD1-CE2 4.06Å; L600-F602 HydrophobicContact CD1-CZ 4.05Å; F602-Y608 VanDerWaalsContact CE1-CB 3.4Å; F602-Y608 HydrophobicContact CE1-CG 4.13Å; F602-Y608 HydrophobicContact CZ-CG 4.48Å
603P84.1Confident82.1Confident44 Ų4447.8 Ų47.829%0.28626%0.263SS..  trans-64.9150.1176.1-18.330.8000112D588 G605 G606D588-P603 VanDerWaalsContact OD1-CA 3.24Å; D588-P603 WeakPolarHBondContact OD1-CA 3.34Å; P603-G605 PolarHBondContact O-N 3.19Å; P603-G605 VanDerWaalsContact O-N 3.11Å; P603-G606 PolarHBondContact O-N 3.44Å
604K76.8Confident81.9Confident85 Ų8555.6 Ų55.637%0.3730%0.299SS..THydrogen-bonded Turntrans-53.9-31.9171.6-85.7-175.1166.3173.40112.6E524 R563 G587 D588 G606E524-K604 IonicContact OE1-NZ 2.73Å; E524-K604 PolarHBondContact OE1-NZ 3.1Å; R563-K604 PolarHBondContact NH1-O 2.89Å; G587-K604 WeakPolarHBondContact O-CG 3.45Å; D588-K604 PolarHBondContact OD1-N 2.86Å; K604-G606 PolarHBondContact O-N 2.96Å
605G69.8Low82Confident76 Ų7658 Ų5878%0.78433%0.325SS*.THydrogen-bonded Turntrans-65.2-11.8175.800000115.1P603P603-G605 PolarHBondContact O-N 3.19Å; P603-G605 VanDerWaalsContact O-N 3.11Å
606G74.4Confident82.6Confident29 Ų2957 Ų5730%0.29932%0.317SS..SBendtrans96.1175.6-176.500000113.4P603 K604P603-G606 PolarHBondContact O-N 3.44Å; K604-G606 PolarHBondContact O-N 2.96Å
607G77Confident82.9Confident58 Ų5854.2 Ų54.260%0.59831%0.314SS*.  trans75.5-175.8-169.500000112.6
608Y81.7Confident82.9Confident127 Ų12749.8 Ų49.850%0.49830%0.296SS..  trans-148.6157.6173.374.5-83.8000110.5H567 L600 H601 F602H567-Y608 AromaticContact CD2-CD1 3.59Å; H567-Y608 AromaticContact CD2-CE1 3.65Å; H567-Y608 AromaticContact CD2-CG 3.93Å; H567-Y608 AromaticContact NE2-CD1 3.79Å; H567-Y608 AromaticContact NE2-CD2 3.85Å; H567-Y608 AromaticContact NE2-CE1 3.51Å; H567-Y608 AromaticContact NE2-CE2 3.59Å; H567-Y608 AromaticContact NE2-CG 3.95Å; H567-Y608 AromaticContact NE2-CZ 3.4Å; L600-Y608 HydrophobicContact CD2-CD2 4.33Å; H601-Y608 CarbonylContact O-C 3.58Å; H601-Y608 VanDerWaalsContact O-CA 3.29Å; H601-Y608 WeakPolarHBondContact O-CA 3.44Å; F602-Y608 VanDerWaalsContact CE1-CB 3.4Å; F602-Y608 HydrophobicContact CE1-CG 4.13Å; F602-Y608 HydrophobicContact CZ-CG 4.48Å
609S83.9Confident83Confident46 Ų4648.5 Ų48.532%0.32229%0.29SS..EExtended strand (participates in β ladder)trans-136.5149.4176.453.60000109.1L600 H601L600-S609 WeakPolarHBondContact CA-O 3.5Å; H601-S609 PolarHBondContact N-O 3.04Å; H601-S609 PolarHBondContact ND1-OG 3.26Å; H601-S609 PolarHBondContact O-N 3.25Å; H601-S609 PolarHBondContact O-OG 2.98Å
610V85.1Confident82.9Confident24 Ų2449.4 Ų49.415%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-93.7118.4177-1700000108.6E598 L600 R613E598-V610 HydrophobicContact CB-CG1 4.08Å; E598-V610 HydrophobicContact CG-CG1 4.3Å; L600-V610 HydrophobicContact CD2-CB 4.33Å; L600-V610 HydrophobicContact CD2-CG1 4.24Å; L600-V610 HydrophobicContact CD2-CG2 3.78Å; V610-R613 HydrophobicContact CB-CG 4.33Å; V610-R613 HydrophobicContact CG1-CG 3.47Å; V610-R613 VanDerWaalsContact CG1-CG 3.47Å
611L84.8Confident82.9Confident17 Ų1749.4 Ų49.49%0.08930%0.297CS..EExtended strand (participates in β ladder)trans-84.4-41179.9-72.4177.4000112.5I590 I599 H601 Y645I590-L611 HydrophobicContact CD1-CD1 4.41Å; I590-L611 HydrophobicContact CG2-CD1 4.11Å; I599-L611 HydrophobicContact CG2-CD1 4.49Å; I599-L611 PolarHBondContact O-N 2.97Å; H601-L611 HydrophobicContact CB-CD1 3.66Å; H601-L611 HydrophobicContact CB-CD2 4.06Å; H601-L611 HydrophobicContact CB-CG 3.58Å; L611-Y645 HydrophobicContact CD1-CD2 4.4Å; L611-Y645 HydrophobicContact CD1-CE2 4Å
612I85.2Confident83.1Confident10 Ų1048.7 Ų48.75%0.05129%0.294CS..EExtended strand (participates in β ladder)trans-136.5126.8-175.8-59.7166.3000107.9C355 E598 I599 L616 L630 V632 Y643C355-I612 HydrophobicContact CB-CD1 4.23Å; C355-I612 HydrophobicContact CB-CG1 3.87Å; E598-I612 VanDerWaalsContact CA-O 3.27Å; E598-I612 WeakPolarHBondContact CA-O 3.39Å; E598-I612 WeakPolarHBondContact CB-O 3.34Å; I599-I612 HydrophobicContact CB-CB 4.05Å; I599-I612 HydrophobicContact CB-CD1 4.25Å; I599-I612 HydrophobicContact CB-CG1 4.39Å; I599-I612 HydrophobicContact CG1-CB 3.99Å; I599-I612 HydrophobicContact CG1-CD1 3.91Å; I599-I612 HydrophobicContact CG1-CG1 4.39Å; I599-I612 PolarHBondContact N-O 3.46Å; I599-I612 PolarHBondContact O-N 2.91Å; I612-L616 HydrophobicContact CB-CD1 4.42Å; I612-L616 HydrophobicContact CG2-CD1 3.77Å; I612-L616 HydrophobicContact CG2-CG 4.21Å; I612-L630 HydrophobicContact CD1-CD2 3.93Å; I612-V632 HydrophobicContact CD1-CG2 4.36Å; I612-Y643 HydrophobicContact CD1-CD1 3.69Å; I612-Y643 HydrophobicContact CD1-CD2 3.67Å; I612-Y643 HydrophobicContact CD1-CE1 3.82Å; I612-Y643 HydrophobicContact CD1-CE2 3.8Å; I612-Y643 HydrophobicContact CD1-CG 3.63Å; I612-Y643 HydrophobicContact CG1-CD1 4.22Å; I612-Y643 HydrophobicContact CG1-CE1 4.25Å; I612-Y643 HydrophobicContact CG2-CE1 4.2Å
613R82.1Confident83.4Confident158 Ų15848.8 Ų48.860%0.59630%0.296SS*.  trans-113.2-22.3179.8-69.2-170.9-176.2-97.911.4114.8E598 V610E598-R613 WeakPolarHBondContact OE1-CG 3.42Å; E598-R613 IonicContact OE1-CZ 3.13Å; E598-R613 IonicContact OE1-NH1 3.84Å; E598-R613 PolarHBondContact OE1-NH1 3.09Å; V610-R613 HydrophobicContact CB-CG 4.33Å; V610-R613 HydrophobicContact CG1-CG 3.47Å; V610-R613 VanDerWaalsContact CG1-CG 3.47Å
614E80.6Confident83.7Confident164 Ų16448.3 Ų48.377%0.76629%0.291SS*.SBendtrans-132.8156.2-169-65.3-174.7179.700112.1
615G80.7Confident84.2Confident56 Ų5645.4 Ų45.458%0.57728%0.28SS*.SBendtrans81.212.5175.700000115.1K641G615-K641 PolarHBondContact O-NZ 3.33Å
616L86.6Confident84.7Confident11 Ų1146.3 Ų46.36%0.05827%0.272CS..  trans-112140.3174.2-61.7174.4000110.7K597 I599 I612 P619 V632 D634 K641K597-L616 HydrophobicContact CB-CB 4.42Å; I599-L616 HydrophobicContact CD1-CD1 3.89Å; I599-L616 HydrophobicContact CG1-CD1 3.65Å; I612-L616 HydrophobicContact CB-CD1 4.42Å; I612-L616 HydrophobicContact CG2-CD1 3.77Å; I612-L616 HydrophobicContact CG2-CG 4.21Å; L616-P619 HydrophobicContact CB-CG 4.4Å; L616-P619 HydrophobicContact CD1-CB 4.16Å; L616-P619 HydrophobicContact CD1-CG 4.19Å; L616-V632 HydrophobicContact CD1-CG1 4.4Å; L616-V632 HydrophobicContact CD2-CG1 3.86Å; L616-D634 WeakPolarHBondContact CA-OD2 3.46Å; L616-K641 HydrophobicContact CD2-CD 3.82Å
617T85.3Confident84.7Confident66 Ų6651.1 Ų51.141%0.40529%0.285SS..SBendtrans-103.3-48.7177.162.70000112.3D634 W636 D637T617-D634 PolarHBondContact N-OD1 3.38Å; T617-D634 PolarHBondContact N-OD2 2.85Å; T617-D634 PolarHBondContact OG1-OD1 3.39Å; T617-D634 PolarHBondContact OG1-OD2 3.4Å; T617-W636 WeakPolarHBondContact OG1-CB 3.38Å; T617-D637 PolarHBondContact OG1-N 3.26Å
618C86.1Confident84.8Confident15 Ų1548.9 Ų48.910%0.10126%0.261CS..  trans-152.883.5174.3-174.40000108.2V620 D634 C635 W636C618-V620 PolarHBondContact O-N 3.29Å; C618-D634 PolarHBondContact N-OD1 3.04Å; C618-D634 WeakPolarHBondContact O-CA 3.41Å; C618-C635 PolarHBondContact O-N 2.99Å; C618-W636 HydrophobicContact CB-CB 3.99Å; C618-W636 HydrophobicContact CB-CG 3.78Å; C618-W636 VanDerWaalsContact SG-CD1 3.57Å
619P88.5Confident85.1Confident0 Ų046.1 Ų46.10%025%0.253CS..EExtended strand (participates in β ladder)trans-67.5116.2176.427.8-33.4000109A579 A592 I599 L616 V632A579-P619 VanDerWaalsContact CB-O 3.32Å; A579-P619 WeakPolarHBondContact CB-O 3.37Å; A592-P619 HydrophobicContact CB-CB 4.11Å; A592-P619 HydrophobicContact CB-CG 4.44Å; I599-P619 HydrophobicContact CD1-CB 3.86Å; I599-P619 HydrophobicContact CD1-CG 4.27Å; L616-P619 HydrophobicContact CB-CG 4.4Å; L616-P619 HydrophobicContact CD1-CB 4.16Å; L616-P619 HydrophobicContact CD1-CG 4.19Å; P619-V632 HydrophobicContact CB-CG1 3.69Å
620V86.1Confident85.5Confident19 Ų1943.9 Ų43.912%0.11524%0.237CC..EExtended strand (participates in β ladder)trans-107.8-56.7-179.9-174.70000111V375 A579 G580 C618 L633 C635V375-V620 WeakPolarHBondContact O-CG1 3.45Å; A579-V620 CarbonylContact C-O 3.49Å; A579-V620 VanDerWaalsContact CB-CA 3.5Å; A579-V620 HydrophobicContact CB-CB 4.08Å; A579-V620 HydrophobicContact CB-CG1 3.95Å; A579-V620 HydrophobicContact CB-CG2 4.18Å; G580-V620 WeakPolarHBondContact CA-O 2.93Å; G580-V620 PolarHBondContact N-O 3.4Å; C618-V620 PolarHBondContact O-N 3.29Å; V620-L633 PolarHBondContact N-O 2.87Å; V620-C635 HydrophobicContact CB-CB 4.15Å; V620-C635 HydrophobicContact CG2-CB 3.36Å
621G87.5Confident85.9Confident4 Ų442.9 Ų42.94%0.04123%0.231CC..EExtended strand (participates in β ladder)trans-96.5145.3178.700000112.6L377 V632 L633L377-G621 VanDerWaalsContact CD2-O 3.29Å; L377-G621 WeakPolarHBondContact CD2-O 3.34Å; G621-V632 WeakPolarHBondContact O-CA 3.45Å; G621-L633 PolarHBondContact N-O 2.9Å; G621-L633 PolarHBondContact O-N 3.05Å
622I92.3Very high86.3Confident8 Ų842.1 Ų42.14%0.04123%0.227CC..EExtended strand (participates in β ladder)trans-127.2137.5162.7-54173000110.2L377 C582 I590 A592 I599 L630 L631L377-I622 VanDerWaalsContact CD2-C 3.5Å; C582-I622 HydrophobicContact CB-CG2 4.47Å; C582-I622 WeakPolarHBondContact SG-CG2 3.44Å; I590-I622 HydrophobicContact CG2-CD1 4.13Å; I590-I622 HydrophobicContact CG2-CG2 4.37Å; A592-I622 HydrophobicContact CB-CD1 3.4Å; A592-I622 VanDerWaalsContact CB-CD1 3.4Å; A592-I622 HydrophobicContact CB-CG1 3.67Å; I599-I622 HydrophobicContact CD1-CD1 3.97Å; I599-I622 HydrophobicContact CD1-CG1 4.32Å; I599-I622 HydrophobicContact CG2-CD1 3.99Å; I622-L630 HydrophobicContact CG2-CD1 3.35Å; I622-L630 HydrophobicContact CG2-CG 4.32Å; I622-L631 WeakPolarHBondContact CA-O 3.43Å
623A92.2Very high86.6Confident8 Ų841.6 Ų41.67%0.06622%0.224CC..EExtended strand (participates in β ladder)trans-145152.1164.700000112L377 V379 L631L377-A623 HydrophobicContact CD1-CB 3.8Å; L377-A623 HydrophobicContact CD2-CB 4.36Å; L377-A623 HydrophobicContact CG-CB 3.78Å; V379-A623 HydrophobicContact CB-CB 4.19Å; V379-A623 HydrophobicContact CG2-CB 3.57Å; A623-L631 PolarHBondContact N-O 3.29Å; A623-L631 PolarHBondContact O-N 3.48Å
624L90.7Very high87Confident34 Ų3434.1 Ų34.118%0.17820%0.196CC..EExtended strand (participates in β ladder)trans-102.3137.7174.4-75.8169000110.6D584 I590 Q629 L630 Y645D584-L624 VanDerWaalsContact CA-CD1 3.46Å; D584-L624 HydrophobicContact CB-CD1 3.52Å; I590-L624 HydrophobicContact CD1-CD1 3.82Å; I590-L624 HydrophobicContact CD1-CD2 4.16Å; I590-L624 HydrophobicContact CD1-CG 4.22Å; L624-Q629 WeakPolarHBondContact CA-O 3.25Å; L624-L630 HydrophobicContact CD2-CB 4.14Å; L624-L630 HydrophobicContact CD2-CD1 3.7Å; L624-L630 HydrophobicContact CG-CD1 4.17Å; L624-Y645 HydrophobicContact CD1-CE1 4.38Å; L624-Y645 HydrophobicContact CD2-CD1 3.59Å; L624-Y645 HydrophobicContact CD2-CE1 4.12Å; L624-Y645 HydrophobicContact CD2-CG 4Å
625T87.6Confident87.4Confident24 Ų2426.8 Ų26.815%0.14716%0.163CC..  trans-83.5155.4169.571.10000111.1V379 K627 G628 Q629 L631V379-T625 HydrophobicContact CG1-CG2 4.26Å; T625-K627 PolarHBondContact O-N 3.4Å; T625-K627 PolarHBondContact OG1-N 3.19Å; T625-G628 PolarHBondContact O-N 2.95Å; T625-Q629 HydrophobicContact CG2-CB 4.1Å; T625-Q629 PolarHBondContact N-O 2.94Å; T625-Q629 WeakPolarHBondContact OG1-CB 3.23Å; T625-Q629 PolarHBondContact OG1-N 3.41Å; T625-Q629 PolarHBondContact OG1-O 3.27Å; T625-L631 HydrophobicContact CG2-CD1 3.42Å; T625-L631 VanDerWaalsContact CG2-CD1 3.42Å
626P79.6Confident87.6Confident94 Ų9433.1 Ų33.161%0.6117%0.17SC*.THydrogen-bonded Turntrans-56.3-16.6172.3-25.733.8000114.6
627K75.8Confident87.7Confident131 Ų13135 Ų3557%0.5718%0.18SC*.THydrogen-bonded Turntrans-90.62.2178.6-70.8-172.6162.7-171.50114T625T625-K627 PolarHBondContact O-N 3.4Å; T625-K627 PolarHBondContact OG1-N 3.19Å
628G79.1Confident87.8Confident10 Ų1033 Ų3310%0.10317%0.166CC..SBendtrans72.445.2-174.200000112.2T625 Y645T625-G628 PolarHBondContact O-N 2.95Å; G628-Y645 CarbonylContact C-O 3.58Å; G628-Y645 WeakPolarHBondContact CA-O 3.45Å; G628-Y645 CarbonylContact O-C 3.16Å; G628-Y645 WeakPolarHBondContact O-CA 3.37Å; G628-Y645 PolarHBondContact O-N 3.01Å
629Q88.5Confident88Confident69 Ų6932.3 Ų32.332%0.32216%0.161SC..EExtended strand (participates in β ladder)trans-113.5135.6167.6-59-177.8-36.800108.7L624 T625 L631 I642 Y643L624-Q629 WeakPolarHBondContact CA-O 3.25Å; T625-Q629 HydrophobicContact CG2-CB 4.1Å; T625-Q629 PolarHBondContact N-O 2.94Å; T625-Q629 WeakPolarHBondContact OG1-CB 3.23Å; T625-Q629 PolarHBondContact OG1-N 3.41Å; T625-Q629 PolarHBondContact OG1-O 3.27Å; Q629-L631 HydrophobicContact CB-CD1 4.39Å; Q629-I642 HydrophobicContact CB-CG2 4.19Å; Q629-Y643 WeakPolarHBondContact CA-O 3.23Å
630L91.8Very high88.1Confident0 Ų032.3 Ų32.30%016%0.161CC..EExtended strand (participates in β ladder)trans-95119.5178.5-177.370.3000109I590 I599 I612 I622 L624 V632 I642 Y643I590-L630 HydrophobicContact CD1-CD1 4.05Å; I590-L630 HydrophobicContact CG2-CD1 4.28Å; I599-L630 HydrophobicContact CG2-CD2 4.31Å; I612-L630 HydrophobicContact CD1-CD2 3.93Å; I622-L630 HydrophobicContact CG2-CD1 3.35Å; I622-L630 HydrophobicContact CG2-CG 4.32Å; L624-L630 HydrophobicContact CD2-CB 4.14Å; L624-L630 HydrophobicContact CD2-CD1 3.7Å; L624-L630 HydrophobicContact CG-CD1 4.17Å; L630-V632 HydrophobicContact CD2-CG2 4.22Å; L630-V632 HydrophobicContact CG-CG2 4.12Å; L630-I642 WeakPolarHBondContact O-CA 3.47Å; L630-Y643 PolarHBondContact N-O 3.49Å; L630-Y643 PolarHBondContact O-N 2.86Å
631L93.1Very high88.4Confident3 Ų332.1 Ų32.12%0.01616%0.158CC..EExtended strand (participates in β ladder)trans-100122.4173.9-8261.1000108.1L377 V379 V385 I622 A623 T625 Q629 I640 I642L377-L631 HydrophobicContact CD1-CB 3.46Å; L377-L631 VanDerWaalsContact CD1-CB 3.46Å; L377-L631 HydrophobicContact CD1-CD2 4.09Å; L377-L631 HydrophobicContact CD1-CG 4.4Å; V379-L631 HydrophobicContact CG2-CD2 3.95Å; V385-L631 HydrophobicContact CB-CD2 4.38Å; V385-L631 HydrophobicContact CG1-CD2 3.85Å; V385-L631 HydrophobicContact CG2-CD2 3.57Å; I622-L631 WeakPolarHBondContact CA-O 3.43Å; A623-L631 PolarHBondContact N-O 3.29Å; A623-L631 PolarHBondContact O-N 3.48Å; T625-L631 HydrophobicContact CG2-CD1 3.42Å; T625-L631 VanDerWaalsContact CG2-CD1 3.42Å; Q629-L631 HydrophobicContact CB-CD1 4.39Å; L631-I640 HydrophobicContact CB-CG2 3.96Å; L631-I640 HydrophobicContact CD2-CG2 4.25Å; L631-I640 HydrophobicContact CG-CG2 4Å; L631-I642 HydrophobicContact CD1-CG1 4.18Å; L631-I642 HydrophobicContact CD1-CG2 4.32Å; L631-I642 HydrophobicContact CG-CG1 4.01Å
632V93.2Very high88.5Confident0 Ų032.2 Ų32.20%016%0.158CC..EExtended strand (participates in β ladder)trans-114.1119175.3-1770000107.8I599 I612 L616 P619 G621 L630 I640 K641 Y643I599-V632 HydrophobicContact CD1-CG1 3.95Å; I599-V632 HydrophobicContact CD1-CG2 4.2Å; I599-V632 HydrophobicContact CG1-CG2 4.2Å; I612-V632 HydrophobicContact CD1-CG2 4.36Å; L616-V632 HydrophobicContact CD1-CG1 4.4Å; L616-V632 HydrophobicContact CD2-CG1 3.86Å; P619-V632 HydrophobicContact CB-CG1 3.69Å; G621-V632 WeakPolarHBondContact O-CA 3.45Å; L630-V632 HydrophobicContact CD2-CG2 4.22Å; L630-V632 HydrophobicContact CG-CG2 4.12Å; V632-I640 CarbonylContact O-C 3.58Å; V632-I640 WeakPolarHBondContact O-CA 3.36Å; V632-K641 PolarHBondContact N-O 2.87Å; V632-K641 PolarHBondContact O-N 3.35Å; V632-Y643 HydrophobicContact CB-CE2 4.23Å; V632-Y643 HydrophobicContact CG2-CD2 4.06Å; V632-Y643 HydrophobicContact CG2-CE2 4.03Å
633L92.3Very high88.4Confident0 Ų032.3 Ų32.30%016%0.158CC..EExtended strand (participates in β ladder)trans-86.8111.8174.2176.571000108.9P374 L377 V387 V620 G621 I640P374-L633 HydrophobicContact CB-CD1 3.79Å; P374-L633 HydrophobicContact CB-CD2 3.93Å; P374-L633 HydrophobicContact CB-CG 4.21Å; P374-L633 HydrophobicContact CG-CD1 3.74Å; P374-L633 HydrophobicContact CG-CD2 4.4Å; P374-L633 HydrophobicContact CG-CG 4.19Å; L377-L633 HydrophobicContact CB-CD2 4.49Å; L377-L633 HydrophobicContact CD2-CB 3.84Å; V387-L633 HydrophobicContact CG1-CD1 4.22Å; V387-L633 HydrophobicContact CG1-CD2 4.36Å; V620-L633 PolarHBondContact N-O 2.87Å; G621-L633 PolarHBondContact N-O 2.9Å; G621-L633 PolarHBondContact O-N 3.05Å; L633-I640 HydrophobicContact CB-CG1 4.49Å; L633-I640 HydrophobicContact CD1-CD1 4.38Å; L633-I640 HydrophobicContact CD1-CG1 3.51Å
634D90.3Very high88.1Confident0 Ų032.7 Ų32.70%016%0.16CC..EExtended strand (participates in β ladder)trans-96.7106178.5-164.9-20.1000108.9L616 T617 C618 D637 H638 C639 K641L616-D634 WeakPolarHBondContact CA-OD2 3.46Å; T617-D634 PolarHBondContact N-OD1 3.38Å; T617-D634 PolarHBondContact N-OD2 2.85Å; T617-D634 PolarHBondContact OG1-OD1 3.39Å; T617-D634 PolarHBondContact OG1-OD2 3.4Å; C618-D634 PolarHBondContact N-OD1 3.04Å; C618-D634 WeakPolarHBondContact O-CA 3.41Å; D634-D637 HydrophobicContact CB-CB 4.07Å; D634-H638 PolarHBondContact O-N 3Å; D634-H638 VanDerWaalsContact O-N 3.07Å; D634-C639 PolarHBondContact N-O 3.39Å; D634-C639 PolarHBondContact O-N 3.06Å; D634-K641 HydrophobicContact CB-CD 4.37Å; D634-K641 IonicContact OD2-NZ 3.19Å; D634-K641 PolarHBondContact OD2-NZ 2.82Å
635C88.1Confident87.7Confident10 Ų1031.1 Ų31.17%0.06815%0.152CC..THydrogen-bonded Turntrans-66.8-42.1-169.4176.10000112.3P374 C618 V620 H638P374-C635 WeakPolarHBondContact O-CB 3.35Å; P374-C635 PolarHBondContact O-SG 3.3Å; C618-C635 PolarHBondContact O-N 2.99Å; V620-C635 HydrophobicContact CB-CB 4.15Å; V620-C635 HydrophobicContact CG2-CB 3.36Å; C635-H638 PolarHBondContact O-N 2.68Å
636W86.4Confident86.7Confident190 Ų19036.3 Ų36.372%0.7217%0.174SC*.THydrogen-bonded Turntrans-81.3-25.4-176.6-77.465.9000112.9T617 C618 H638T617-W636 WeakPolarHBondContact OG1-CB 3.38Å; C618-W636 HydrophobicContact CB-CB 3.99Å; C618-W636 HydrophobicContact CB-CG 3.78Å; C618-W636 VanDerWaalsContact SG-CD1 3.57Å; W636-H638 PolarHBondContact O-CD2 3.35Å; W636-H638 VanDerWaalsContact O-CD2 3.26Å
637D86.9Confident85.6Confident51 Ų5134.5 Ų34.527%0.27316%0.159SC..THydrogen-bonded Turntrans-86.42.8169.4-164.219.2000112.3K360 T617 D634 C639 K641K360-D637 IonicContact NZ-OD1 3.92Å; K360-D637 PolarHBondContact NZ-OD1 2.58Å; K360-D637 IonicContact NZ-OD2 2.9Å; K360-D637 PolarHBondContact NZ-OD2 3.09Å; T617-D637 PolarHBondContact OG1-N 3.26Å; D634-D637 HydrophobicContact CB-CB 4.07Å; D637-C639 VanDerWaalsContact CG-SG 3.59Å; D637-C639 WeakPolarHBondContact O-CB 3.38Å; D637-C639 PolarHBondContact O-N 2.96Å; D637-C639 VanDerWaalsContact O-N 3.12Å; D637-C639 PolarHBondContact OD2-SG 3.21Å; D637-K641 WeakPolarHBondContact OD2-CE 3.49Å; D637-K641 IonicContact OD2-NZ 3.34Å; D637-K641 PolarHBondContact OD2-NZ 3.22Å
638H87.5Confident84.2Confident23 Ų2335.1 Ų35.111%0.10616%0.157CC..THydrogen-bonded Turntrans48.341.1177.2-61.3-88.9000113.5A363 K364 F371 D634 C635 W636A363-H638 CarbonylContact C-O 3.48Å; A363-H638 PolarHBondContact N-O 2.96Å; K364-H638 HydrophobicContact CB-CB 3.96Å; F371-H638 HydrophobicContact CB-CB 4.48Å; F371-H638 WeakPolarHBondContact CD2-O 3.5Å; F371-H638 PolarHBondContact O-ND1 3.25Å; D634-H638 PolarHBondContact O-N 3Å; D634-H638 VanDerWaalsContact O-N 3.07Å; C635-H638 PolarHBondContact O-N 2.68Å; W636-H638 PolarHBondContact O-CD2 3.35Å; W636-H638 VanDerWaalsContact O-CD2 3.26Å
639C89.9Confident82.2Confident0 Ų046 Ų460%020%0.195CC..EExtended strand (participates in β ladder)trans-153.4165.3-172.7730000113.3K360 M361 D634 D637K360-C639 HydrophobicContact CD-CB 4.06Å; K360-C639 VanDerWaalsContact CE-CB 3.42Å; K360-C639 WeakPolarHBondContact CE-SG 3.31Å; K360-C639 HydrophobicContact CG-CB 3.84Å; M361-C639 CarbonylContact O-C 3.48Å; M361-C639 WeakPolarHBondContact O-CA 3.38Å; M361-C639 VanDerWaalsContact O-CB 3.28Å; M361-C639 WeakPolarHBondContact O-CB 3.25Å; D634-C639 PolarHBondContact N-O 3.39Å; D634-C639 PolarHBondContact O-N 3.06Å; D637-C639 VanDerWaalsContact CG-SG 3.59Å; D637-C639 WeakPolarHBondContact O-CB 3.38Å; D637-C639 PolarHBondContact O-N 2.96Å; D637-C639 VanDerWaalsContact O-N 3.12Å; D637-C639 PolarHBondContact OD2-SG 3.21Å
640I92.1Very high79.7Confident0 Ų052.3 Ų52.30%022%0.218CC..EExtended strand (participates in β ladder)trans-106.6125.3170.8-56.1159.5000108.1K360 M361 F371 V385 V387 L631 V632 L633K360-I640 CarbonylContact C-O 3.35Å; K360-I640 WeakPolarHBondContact CA-O 3.42Å; M361-I640 HydrophobicContact CG-CB 3.6Å; M361-I640 HydrophobicContact CG-CD1 4.17Å; M361-I640 HydrophobicContact CG-CG1 4.34Å; M361-I640 HydrophobicContact CG-CG2 4.35Å; M361-I640 PolarHBondContact N-O 2.72Å; M361-I640 PolarHBondContact O-N 3.02Å; M361-I640 HydrophobicContact SD-CB 4.1Å; M361-I640 HydrophobicContact SD-CD1 3.83Å; M361-I640 HydrophobicContact SD-CG2 4.44Å; F371-I640 HydrophobicContact CE2-CD1 4.26Å; F371-I640 HydrophobicContact CE2-CG1 4.42Å; F371-I640 HydrophobicContact CZ-CD1 4Å; V385-I640 HydrophobicContact CG1-CD1 4.33Å; V387-I640 HydrophobicContact CG2-CD1 3.63Å; L631-I640 HydrophobicContact CB-CG2 3.96Å; L631-I640 HydrophobicContact CD2-CG2 4.25Å; L631-I640 HydrophobicContact CG-CG2 4Å; V632-I640 CarbonylContact O-C 3.58Å; V632-I640 WeakPolarHBondContact O-CA 3.36Å; L633-I640 HydrophobicContact CB-CG1 4.49Å; L633-I640 HydrophobicContact CD1-CD1 4.38Å; L633-I640 HydrophobicContact CD1-CG1 3.51Å
641K91.1Very high76.7Confident15 Ų1557.4 Ų57.47%0.06525%0.253CS..EExtended strand (participates in β ladder)trans-101.1126.8176.1-67.5172177.8164.30108.6F357 G615 L616 V632 D634 D637 Y643F357-K641 HydrophobicContact CD2-CB 4.43Å; F357-K641 HydrophobicContact CE2-CB 3.98Å; F357-K641 HydrophobicContact CE2-CG 4.05Å; G615-K641 PolarHBondContact O-NZ 3.33Å; L616-K641 HydrophobicContact CD2-CD 3.82Å; V632-K641 PolarHBondContact N-O 2.87Å; V632-K641 PolarHBondContact O-N 3.35Å; D634-K641 HydrophobicContact CB-CD 4.37Å; D634-K641 IonicContact OD2-NZ 3.19Å; D634-K641 PolarHBondContact OD2-NZ 2.82Å; D637-K641 WeakPolarHBondContact OD2-CE 3.49Å; D637-K641 IonicContact OD2-NZ 3.34Å; D637-K641 PolarHBondContact OD2-NZ 3.22Å; K641-Y643 HydrophobicContact CB-CD2 4.39Å; K641-Y643 HydrophobicContact CB-CE2 3.54Å
642I90.5Very high73.7Confident6 Ų663.1 Ų63.13%0.03129%0.288CS..EExtended strand (participates in β ladder)trans-105.6127.4-177.6-61.6172.3000108.4L358 K359 M361 Q629 L630 L631L358-I642 HydrophobicContact CB-CG2 4.39Å; L358-I642 WeakPolarHBondContact CB-O 3.41Å; L358-I642 HydrophobicContact CD1-CG2 4.19Å; L358-I642 PolarHBondContact N-O 3.18Å; K359-I642 HydrophobicContact CD-CD1 4.22Å; K359-I642 HydrophobicContact CG-CB 4.09Å; K359-I642 HydrophobicContact CG-CD1 3.82Å; K359-I642 HydrophobicContact CG-CG1 4.36Å; K359-I642 PolarHBondContact N-O 2.93Å; K359-I642 PolarHBondContact O-N 3.27Å; M361-I642 HydrophobicContact CE-CD1 3.49Å; M361-I642 VanDerWaalsContact CE-CD1 3.49Å; Q629-I642 HydrophobicContact CB-CG2 4.19Å; L630-I642 WeakPolarHBondContact O-CA 3.47Å; L631-I642 HydrophobicContact CD1-CG1 4.18Å; L631-I642 HydrophobicContact CD1-CG2 4.32Å; L631-I642 HydrophobicContact CG-CG1 4.01Å
643Y90.1Very high71Confident11 Ų1172.5 Ų72.54%0.04335%0.35CS..EExtended strand (participates in β ladder)trans-119151.5177.9-60.5-99.5000111.1C355 L356 F357 I612 Q629 L630 V632 K641C355-Y643 HydrophobicContact CB-CD1 4.48Å; L356-Y643 CarbonylContact O-C 3.51Å; L356-Y643 WeakPolarHBondContact O-CA 3.28Å; F357-Y643 HydrophobicContact CB-CD1 4.01Å; F357-Y643 HydrophobicContact CB-CE1 3.82Å; F357-Y643 HydrophobicContact CD2-CD1 4.43Å; F357-Y643 AromaticContact CD2-CE1 3.96Å; F357-Y643 HydrophobicContact CD2-CE1 3.96Å; F357-Y643 HydrophobicContact CD2-CE2 4.44Å; F357-Y643 AromaticContact CD2-CZ 3.96Å; F357-Y643 HydrophobicContact CG-CE1 4.39Å; I612-Y643 HydrophobicContact CD1-CD1 3.69Å; I612-Y643 HydrophobicContact CD1-CD2 3.67Å; I612-Y643 HydrophobicContact CD1-CE1 3.82Å; I612-Y643 HydrophobicContact CD1-CE2 3.8Å; I612-Y643 HydrophobicContact CD1-CG 3.63Å; I612-Y643 HydrophobicContact CG1-CD1 4.22Å; I612-Y643 HydrophobicContact CG1-CE1 4.25Å; I612-Y643 HydrophobicContact CG2-CE1 4.2Å; Q629-Y643 WeakPolarHBondContact CA-O 3.23Å; L630-Y643 PolarHBondContact N-O 3.49Å; L630-Y643 PolarHBondContact O-N 2.86Å; V632-Y643 HydrophobicContact CB-CE2 4.23Å; V632-Y643 HydrophobicContact CG2-CD2 4.06Å; V632-Y643 HydrophobicContact CG2-CE2 4.03Å; K641-Y643 HydrophobicContact CB-CD2 4.39Å; K641-Y643 HydrophobicContact CB-CE2 3.54Å
644S86.4Confident69.9Low15 Ų1576.2 Ų76.211%0.10537%0.367CS..EExtended strand (participates in β ladder)trans-73.1125.7170.765.40000109.9C355 L356C355-S644 WeakPolarHBondContact CA-O 3.36Å; L356-S644 WeakPolarHBondContact CB-OG 3.42Å; L356-S644 PolarHBondContact N-OG 2.92Å; L356-S644 PolarHBondContact O-N 3.25Å
645Y82.4Confident68.8Low2 Ų280.2 Ų80.21%0.00839%0.386CS..  trans-12780.1175.9-176-100.8000109.6D584 I590 L611 L624 G628 L647D584-Y645 HydrophobicContact CB-CE1 4.11Å; D584-Y645 PolarHBondContact OD2-OH 3.29Å; I590-Y645 HydrophobicContact CD1-CD2 4.46Å; I590-Y645 HydrophobicContact CD1-CE1 4.25Å; I590-Y645 HydrophobicContact CD1-CE2 3.9Å; L611-Y645 HydrophobicContact CD1-CD2 4.4Å; L611-Y645 HydrophobicContact CD1-CE2 4Å; L624-Y645 HydrophobicContact CD1-CE1 4.38Å; L624-Y645 HydrophobicContact CD2-CD1 3.59Å; L624-Y645 HydrophobicContact CD2-CE1 4.12Å; L624-Y645 HydrophobicContact CD2-CG 4Å; G628-Y645 CarbonylContact C-O 3.58Å; G628-Y645 WeakPolarHBondContact CA-O 3.45Å; G628-Y645 CarbonylContact O-C 3.16Å; G628-Y645 WeakPolarHBondContact O-CA 3.37Å; G628-Y645 PolarHBondContact O-N 3.01Å; Y645-L647 HydrophobicContact CD1-CD1 4.49Å; Y645-L647 HydrophobicContact CE1-CD1 4.31Å; Y645-L647 HydrophobicContact CE1-CG 4.1Å; Y645-L647 PolarHBondContact O-N 3.48Å
646H65.3Low67.7Low132 Ų13284.1 Ų84.161%0.61140%0.404SS*.  trans-82.1106.5-179.5-67.2-58.2000110.9Q353 R648Q353-H646 VanDerWaalsContact CD-O 3.23Å; Q353-H646 PolarHBondContact NE2-O 2.93Å; H646-R648 VanDerWaalsContact C-N 3.31Å; H646-R648 PolarHBondContact O-N 3.16Å
647L56.5Low66.7Low56 Ų5677.8 Ų77.829%0.29339%0.386SS..  trans-5992163.7-75.4126.6000108.8D584 R586 Y645 R649D584-L647 WeakPolarHBondContact OD2-CD2 3.49Å; R586-L647 HydrophobicContact CG-CD2 3.61Å; R586-L647 VanDerWaalsContact NH2-CA 3.34Å; Y645-L647 HydrophobicContact CD1-CD1 4.49Å; Y645-L647 HydrophobicContact CE1-CD1 4.31Å; Y645-L647 HydrophobicContact CE1-CG 4.1Å; Y645-L647 PolarHBondContact O-N 3.48Å; L647-R649 PolarHBondContact O-N 3.04Å
648R47.4Very low65.4Low144 Ų14479.5 Ų79.554%0.54339%0.393SS..  trans-55.7109.7173.2-86.9-170.2176.1-174.81.4108.5N351 R586 H646 Y650N351-R648 PolarHBondContact ND2-NH1 3.15Å; R586-R648 VanDerWaalsContact NH2-C 3.29Å; R586-R648 PolarHBondContact NH2-O 3.18Å; H646-R648 VanDerWaalsContact C-N 3.31Å; H646-R648 PolarHBondContact O-N 3.16Å; R648-Y650 PolarHBondContact O-N 2.59Å
649R36.2Very low63.9Low238 Ų23883.3 Ų83.390%0.89841%0.412SS*.  trans-56.7111.2166.7-71.4-178.3179.8177.7-0.9105.7L647 S651L647-R649 PolarHBondContact O-N 3.04Å; R649-S651 PolarHBondContact O-N 2.97Å
650Y36.4Very low62.1Low203 Ų20389.2 Ų89.280%0.79644%0.441SS*.  trans-64.998.6160.8-82-88.4000104.8R648 T652R648-Y650 PolarHBondContact O-N 2.59Å; Y650-T652 VanDerWaalsContact C-N 3.3Å; Y650-T652 PolarHBondContact O-N 3.38Å
651S28.3Very low59.7Low106 Ų10696.1 Ų96.174%0.74148%0.475SS*.  trans-59.1106154.145.90000105R649R649-S651 PolarHBondContact O-N 2.97Å
652T30Very low57.1Low123 Ų123102.8 Ų102.876%0.75551%0.509SS*.  trans-52.6131.116840.30000108.3Y650Y650-T652 VanDerWaalsContact C-N 3.3Å; Y650-T652 PolarHBondContact O-N 3.38Å
653P36.1Very low54.1Low198 Ų198111.6 Ų111.6100%1.28655%0.553SS**  trans-63.20173.727.1-32.6000112.1

Retrieved 653 of 653 residues in 381.1 ms (Link to these results)

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