A0A096MVN8_PAPAN Loading...

E3 ubiquitin-protein ligase

AlphaFold DB , UniProt , Accession A0A096MVN8, Species PAPAN (Papio anubis, Olive baboon), Gene DTX3L, Length 740 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
1M35.7Very low53.5Low250 Ų250106.4 Ų106.4100%1.23260%0.604SS**  0114.30-69.7-177.8173.700107.4
2A30Very low56.4Low105 Ų10599.5 Ų99.587%0.86856%0.564SS**  trans-98.1126.417800000109.2
3S36.7Very low58.7Low106 Ų10691.8 Ų91.874%0.74152%0.521SS*.  trans-75.6143.6178210000111.5L5S3-L5 PolarHBondContact O-N 3.4Å
4D37.8Very low60.7Low118 Ų11892.7 Ų92.763%0.63151%0.512SS*.  trans-51.9108.1175.6-83-20.8000112.3R6 R61D4-R6 PolarHBondContact O-N 3.03Å; D4-R6 VanDerWaalsContact O-N 3.08Å; D4-R61 IonicContact OD2-CZ 3.36Å; D4-R61 IonicContact OD2-NH1 3.75Å; D4-R61 PolarHBondContact OD2-NH1 3.45Å; D4-R61 IonicContact OD2-NH2 3.81Å; D4-R61 PolarHBondContact OD2-NH2 3.15Å
5L42Very low62.2Low174 Ų17486.9 Ų86.991%0.91148%0.48SS*.  trans-77.219.3175.5-73169.6000114.2S3S3-L5 PolarHBondContact O-N 3.4Å
6R49.8Very low62.6Low175 Ų17587.4 Ų87.466%0.6649%0.491SS*.SBendtrans-89119.8174.3-72.8-172.2-179.1-178.51.9110D4D4-R6 PolarHBondContact O-N 3.03Å; D4-R6 VanDerWaalsContact O-N 3.08Å
7P52.3Low62.7Low102 Ų10284.2 Ų84.266%0.66248%0.483SS*.PPolyproline II helixtrans-57.9142.1175.824.3-33000110
8P65.1Low62.4Low17 Ų1785.4 Ų85.411%0.1150%0.497CS..PPolyproline II helixtrans-62153.3179.727.4-35.5000111.4F58 R61 K64P8-F58 WeakPolarHBondContact CD-O 3.31Å; P8-F58 HydrophobicContact CG-CB 4.17Å; P8-F58 WeakPolarHBondContact CG-O 3.45Å; P8-R61 HydrophobicContact CB-CB 4.24Å; P8-R61 HydrophobicContact CB-CG 4.39Å; P8-K64 HydrophobicContact CB-CD 4.22Å
9S73.1Confident62.3Low79 Ų7983.3 Ų83.355%0.55250%0.495SS*.PPolyproline II helixtrans-55146.3169.454.80000110.3K64S9-K64 VanDerWaalsContact O-CD 3.25Å; S9-K64 WeakPolarHBondContact O-CD 3.47Å; S9-K64 PolarHBondContact O-NZ 3Å; S9-K64 PolarHBondContact OG-NZ 2.97Å
10P81.9Confident62.1Low37 Ų3783.9 Ų83.924%0.2450%0.499CS..PPolyproline II helixtrans-56.6153.6177.226.5-37.8000111.6R55 V56 E57 K64P10-R55 HydrophobicContact CB-CG 3.64Å; P10-R55 HydrophobicContact CG-CG 4.46Å; P10-V56 WeakPolarHBondContact CA-O 3.18Å; P10-E57 HydrophobicContact CB-CG 4.27Å; P10-K64 PolarHBondContact O-NZ 3.09Å
11L84.1Confident62.5Low7 Ų788.7 Ų88.74%0.03751%0.509CS..EExtended strand (participates in β ladder)trans-103.8126.2167.4-179.565.9000108V13 V56 F58 K64 V67 L68 L86L11-V13 HydrophobicContact CD2-CG1 4.23Å; L11-V13 HydrophobicContact CG-CG1 4.05Å; L11-V56 HydrophobicContact CB-CB 4.36Å; L11-V56 PolarHBondContact N-O 2.77Å; L11-V56 PolarHBondContact O-N 3.04Å; L11-F58 HydrophobicContact CB-CE2 4.22Å; L11-F58 HydrophobicContact CD2-CE2 3.91Å; L11-K64 HydrophobicContact CB-CD 4.49Å; L11-V67 HydrophobicContact CD2-CG1 3.67Å; L11-L68 HydrophobicContact CD1-CD2 3.78Å; L11-L68 HydrophobicContact CD1-CG 4.34Å; L11-L86 HydrophobicContact CD2-CD2 4.07Å; L11-L86 HydrophobicContact CG-CD2 4.49Å
12L88.5Confident64.5Low24 Ų2477.5 Ų77.513%0.12645%0.454CS..EExtended strand (participates in β ladder)trans-90.4133.3174.2-72171.7000109.3E49 T53 R55 V87 T89L12-E49 WeakPolarHBondContact CD1-OE1 3.31Å; L12-T53 HydrophobicContact CD2-CG2 4.15Å; L12-R55 HydrophobicContact CD2-CB 4.15Å; L12-R55 HydrophobicContact CD2-CG 4.31Å; L12-V87 HydrophobicContact CB-CB 3.8Å; L12-V87 HydrophobicContact CB-CG1 4.49Å; L12-V87 HydrophobicContact CB-CG2 4.3Å; L12-V87 PolarHBondContact O-N 2.87Å; L12-T89 HydrophobicContact CD1-CG2 4.06Å
13V86.5Confident67Low0 Ų075 Ų750%042%0.424CS..EExtended strand (participates in β ladder)trans-135141.9-178.8-53.40000110.3L11 L26 F30 T53 F54 V56 I84 F85 L86L11-V13 HydrophobicContact CD2-CG1 4.23Å; L11-V13 HydrophobicContact CG-CG1 4.05Å; V13-L26 HydrophobicContact CG2-CD1 4.5Å; V13-L26 HydrophobicContact CG2-CD2 4.33Å; V13-F30 HydrophobicContact CB-CE2 4.5Å; V13-F30 HydrophobicContact CG1-CE2 4.01Å; V13-F30 HydrophobicContact CG1-CZ 3.91Å; V13-F30 HydrophobicContact CG2-CE2 4.19Å; V13-T53 CarbonylContact O-C 3.6Å; V13-T53 WeakPolarHBondContact O-CA 3.35Å; V13-F54 HydrophobicContact CG2-CB 3.94Å; V13-F54 PolarHBondContact N-O 3.06Å; V13-F54 PolarHBondContact O-N 2.77Å; V13-V56 HydrophobicContact CG1-CG2 3.98Å; V13-V56 HydrophobicContact CG2-CG2 3.76Å; V13-I84 HydrophobicContact CB-CG2 3.91Å; V13-I84 HydrophobicContact CG1-CG2 4.41Å; V13-I84 HydrophobicContact CG2-CG2 4.39Å; V13-F85 CarbonylContact C-O 3.35Å; V13-F85 VanDerWaalsContact CA-O 3.27Å; V13-F85 WeakPolarHBondContact CA-O 3.37Å; V13-L86 HydrophobicContact CG1-CD2 3.67Å
14R85.6Confident69.2Low104 Ų10478.5 Ų78.539%0.39242%0.422SS..EExtended strand (participates in β ladder)trans-118.8139.3176.6-171.7178.5-68.2167.92.4110.7G52 T53 F85 V87R14-G52 WeakPolarHBondContact CA-O 3.32Å; R14-T53 PolarHBondContact NE-OG1 2.85Å; R14-F85 PolarHBondContact N-O 3.46Å; R14-F85 PolarHBondContact O-N 3.03Å; R14-V87 HydrophobicContact CB-CG2 4.39Å
15V84.1Confident71.5Confident5 Ų576.4 Ų76.43%0.0341%0.407CS..EExtended strand (participates in β ladder)trans-136.4148.4176.4-75.10000111.8G17 V22 L26 G52 F54 M75 V82 I84V15-G17 VanDerWaalsContact C-N 3.26Å; V15-G17 PolarHBondContact O-N 3.38Å; V15-V22 HydrophobicContact CG2-CG1 3.58Å; V15-L26 HydrophobicContact CG1-CD2 3.92Å; V15-L26 HydrophobicContact CG2-CD1 3.94Å; V15-G52 PolarHBondContact N-O 2.81Å; V15-F54 HydrophobicContact CG2-CD2 3.83Å; V15-F54 HydrophobicContact CG2-CE2 3.52Å; V15-M75 HydrophobicContact CB-CE 4.5Å; V15-M75 HydrophobicContact CG1-CE 4.01Å; V15-V82 HydrophobicContact CB-CG1 4.27Å; V15-V82 HydrophobicContact CG1-CG1 4.42Å; V15-I84 HydrophobicContact CG1-CB 4.03Å; V15-I84 HydrophobicContact CG1-CG1 3.64Å; V15-I84 HydrophobicContact CG1-CG2 4.04Å
16S69.1Low73.6Confident95 Ų9568.1 Ų68.166%0.66436%0.363SS*.SBendtrans-76.769.7178.7-48.50000111.8
17G62.8Low75.4Confident34 Ų3462.3 Ų62.335%0.35134%0.344SS..  trans167.5143.217400000113.8V15V15-G17 VanDerWaalsContact C-N 3.26Å; V15-G17 PolarHBondContact O-N 3.38Å
18S57.8Low77.1Confident106 Ų10661.2 Ų61.274%0.74134%0.339SS*.  trans-114.2140.6179.1550000111.9
19G59.9Low78.3Confident44 Ų4461.6 Ų61.645%0.45434%0.338SS..SBendtrans136.6159.8174.200000115R21 V22G19-R21 PolarHBondContact O-N 3.15Å; G19-R21 VanDerWaalsContact O-N 3.13Å; G19-V22 WeakPolarHBondContact O-CB 3.24Å; G19-V22 PolarHBondContact O-N 3.11Å
20V58.8Low79.1Confident96 Ų9657.8 Ų57.858%0.58231%0.312SS*.Hα-helixtrans-59.1-28.8-173.2-175.80000113.4V22 R24V20-V22 VanDerWaalsContact C-N 3.33Å; V20-V22 PolarHBondContact O-N 3.19Å; V20-R24 PolarHBondContact O-N 3.18Å
21R70.6Confident79.4Confident185 Ų18560.4 Ų60.470%0.69832%0.321SS*.Hα-helixtrans-65.8-33.1175-69.9-173.8180-171.91.6112.9G19 K25G19-R21 PolarHBondContact O-N 3.15Å; G19-R21 VanDerWaalsContact O-N 3.13Å; R21-K25 PolarHBondContact O-N 2.86Å
22V78.4Confident79.5Confident14 Ų1461.8 Ų61.89%0.08533%0.331CS..Hα-helixtrans-71.4-43-179.8-179.70000110.3V15 G19 V20 R24 K25 L26 F54 M75V15-V22 HydrophobicContact CG2-CG1 3.58Å; G19-V22 WeakPolarHBondContact O-CB 3.24Å; G19-V22 PolarHBondContact O-N 3.11Å; V20-V22 VanDerWaalsContact C-N 3.33Å; V20-V22 PolarHBondContact O-N 3.19Å; V22-R24 PolarHBondContact O-N 2.97Å; V22-K25 PolarHBondContact O-N 3.32Å; V22-L26 HydrophobicContact CG1-CD1 4.18Å; V22-L26 PolarHBondContact O-N 3.4Å; V22-F54 HydrophobicContact CB-CZ 4.39Å; V22-F54 HydrophobicContact CG1-CE2 4.06Å; V22-F54 HydrophobicContact CG1-CZ 4.08Å; V22-M75 HydrophobicContact CG1-CE 3.94Å
23Q82.4Confident79Confident52 Ų5264.6 Ų64.624%0.24335%0.352CS..Hα-helixtrans-56.4-51177.1-173.6-176.5-3.200112.3K25 L26 E27 V43 F54Q23-K25 VanDerWaalsContact C-N 3.32Å; Q23-K25 PolarHBondContact O-N 3.05Å; Q23-L26 WeakPolarHBondContact O-CB 3.32Å; Q23-L26 PolarHBondContact O-N 3.3Å; Q23-E27 PolarHBondContact O-N 3.44Å; Q23-V43 HydrophobicContact CG-CB 4.47Å; Q23-V43 HydrophobicContact CG-CG1 4.3Å; Q23-V43 PolarHBondContact NE2-O 3.07Å; Q23-F54 HydrophobicContact CB-CD1 4.46Å; Q23-F54 HydrophobicContact CB-CE1 3.93Å; Q23-F54 HydrophobicContact CG-CD1 4.45Å; Q23-F54 HydrophobicContact CG-CE1 4.34Å
24R82.4Confident78.7Confident181 Ų18173.7 Ų73.768%0.68339%0.392SS*.Hα-helixtrans-64.4-34.1179.3-67.8-174.8-178.1178.50.7113V20 V22 S28V20-R24 PolarHBondContact O-N 3.18Å; V22-R24 PolarHBondContact O-N 2.97Å; R24-S28 WeakPolarHBondContact O-CB 3.44Å; R24-S28 PolarHBondContact O-N 2.95Å
25K85.6Confident78.4Confident74 Ų7471.4 Ų71.432%0.32239%0.392SS..Hα-helixtrans-72.2-37.9176.3-78.7-171.1165.2-172.60112.5R21 V22 Q23 Y29 M75 L76 V77 D78R21-K25 PolarHBondContact O-N 2.86Å; V22-K25 PolarHBondContact O-N 3.32Å; Q23-K25 VanDerWaalsContact C-N 3.32Å; Q23-K25 PolarHBondContact O-N 3.05Å; K25-Y29 VanDerWaalsContact O-CB 3.28Å; K25-Y29 WeakPolarHBondContact O-CB 3.45Å; K25-Y29 PolarHBondContact O-N 2.68Å; K25-M75 HydrophobicContact CB-SD 3.98Å; K25-L76 WeakPolarHBondContact CD-O 3.43Å; K25-L76 PolarHBondContact NZ-O 2.93Å; K25-V77 HydrophobicContact CD-CG2 4.23Å; K25-D78 IonicContact NZ-OD1 2.7Å
26L87.3Confident78.5Confident0 Ų071.1 Ų71.10%039%0.39CS..Hα-helixtrans-60.6-46.1171.1-80.8168.6000111.9V13 V15 V22 Q23 Y29 F30 V43 F54 M75 I84V13-L26 HydrophobicContact CG2-CD1 4.5Å; V13-L26 HydrophobicContact CG2-CD2 4.33Å; V15-L26 HydrophobicContact CG1-CD2 3.92Å; V15-L26 HydrophobicContact CG2-CD1 3.94Å; V22-L26 HydrophobicContact CG1-CD1 4.18Å; V22-L26 PolarHBondContact O-N 3.4Å; Q23-L26 WeakPolarHBondContact O-CB 3.32Å; Q23-L26 PolarHBondContact O-N 3.3Å; L26-Y29 PolarHBondContact O-N 3.04Å; L26-F30 HydrophobicContact CD2-CD2 4.49Å; L26-F30 HydrophobicContact CD2-CE2 3.94Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.11Å; L26-F30 PolarHBondContact O-N 3.08Å; L26-V43 HydrophobicContact CB-CG1 4.2Å; L26-V43 HydrophobicContact CB-CG2 4.5Å; L26-V43 HydrophobicContact CD1-CG1 4.47Å; L26-F54 HydrophobicContact CD1-CB 4.02Å; L26-F54 HydrophobicContact CD1-CD1 4.12Å; L26-F54 HydrophobicContact CD1-CD2 3.38Å; L26-F54 HydrophobicContact CD1-CE1 4.46Å; L26-F54 HydrophobicContact CD1-CE2 3.8Å; L26-F54 HydrophobicContact CD1-CG 3.56Å; L26-F54 HydrophobicContact CD1-CZ 4.32Å; L26-M75 HydrophobicContact CD2-CE 4.03Å; L26-M75 HydrophobicContact CD2-SD 4.02Å; L26-M75 HydrophobicContact CG-CE 3.91Å; L26-M75 HydrophobicContact CG-SD 4.06Å; L26-I84 HydrophobicContact CD2-CD1 3.92Å; L26-I84 HydrophobicContact CD2-CG1 4.02Å; L26-I84 HydrophobicContact CD2-CG2 4.1Å
27E88Confident79.1Confident53 Ų5367.3 Ų67.325%0.24837%0.366CS..Hα-helixtrans-61.1-50.9179-170.1162.8-118.400111.4Q23 Y29 F30 Q31 T42 V43Q23-E27 PolarHBondContact O-N 3.44Å; E27-Y29 VanDerWaalsContact C-N 3.3Å; E27-Y29 PolarHBondContact O-N 3Å; E27-F30 PolarHBondContact O-N 3.41Å; E27-Q31 WeakPolarHBondContact O-CB 3.18Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.46Å; E27-Q31 PolarHBondContact O-N 2.99Å; E27-T42 VanDerWaalsContact OE1-CA 3.29Å; E27-T42 WeakPolarHBondContact OE1-CA 3.3Å; E27-V43 HydrophobicContact CB-CB 4.1Å; E27-V43 HydrophobicContact CB-CG2 3.7Å; E27-V43 HydrophobicContact CG-CG2 4.13Å; E27-V43 PolarHBondContact OE1-N 3.12Å
28S86.7Confident80.2Confident79 Ų7965.7 Ų65.755%0.55235%0.349SS*.Hα-helixtrans-59.8-37.3174.8-178.50000113.1R24 S32R24-S28 WeakPolarHBondContact O-CB 3.44Å; R24-S28 PolarHBondContact O-N 2.95Å; S28-S32 PolarHBondContact O-N 2.91Å
29Y90Very high81.4Confident24 Ų2461.3 Ų61.39%0.09432%0.321CS..Hα-helixtrans-65.9-46.7175.8177.4-99.4000112.2K25 L26 E27 S32 S35 S36 H73 Q74 M75 I84K25-Y29 VanDerWaalsContact O-CB 3.28Å; K25-Y29 WeakPolarHBondContact O-CB 3.45Å; K25-Y29 PolarHBondContact O-N 2.68Å; L26-Y29 PolarHBondContact O-N 3.04Å; E27-Y29 VanDerWaalsContact C-N 3.3Å; E27-Y29 PolarHBondContact O-N 3Å; Y29-S32 PolarHBondContact O-N 3.15Å; Y29-S35 WeakPolarHBondContact CE2-O 3.24Å; Y29-S35 PolarHBondContact OH-O 2.86Å; Y29-S35 VanDerWaalsContact OH-O 3.06Å; Y29-S36 VanDerWaalsContact CE1-CB 3.49Å; Y29-S36 WeakPolarHBondContact O-CB 3.32Å; Y29-S36 PolarHBondContact O-OG 2.97Å; Y29-H73 HydrophobicContact CE1-CB 4Å; Y29-H73 AromaticContact CE1-ND1 3.64Å; Y29-H73 AromaticContact CZ-ND1 3.81Å; Y29-H73 WeakPolarHBondContact OH-CA 3.23Å; Y29-H73 PolarHBondContact OH-ND1 2.81Å; Y29-H73 VanDerWaalsContact OH-ND1 3.08Å; Y29-Q74 WeakPolarHBondContact CE2-O 3.4Å; Y29-Q74 PolarHBondContact OH-N 2.98Å; Y29-M75 HydrophobicContact CD2-CB 4.08Å; Y29-M75 HydrophobicContact CG-CB 4.25Å; Y29-I84 HydrophobicContact CD1-CD1 3.47Å; Y29-I84 VanDerWaalsContact CD1-CD1 3.47Å; Y29-I84 HydrophobicContact CE1-CD1 3.51Å; Y29-I84 HydrophobicContact CG-CD1 4.1Å
30F89.9Confident82.6Confident0 Ų066.1 Ų66.10%033%0.332CS..Hα-helixtrans-74.5-22.8-179.6-75.9-59.5000114V13 L26 E27 S32 S36 G38 G39 C41 V56 F58 V67 I84 L86V13-F30 HydrophobicContact CB-CE2 4.5Å; V13-F30 HydrophobicContact CG1-CE2 4.01Å; V13-F30 HydrophobicContact CG1-CZ 3.91Å; V13-F30 HydrophobicContact CG2-CE2 4.19Å; L26-F30 HydrophobicContact CD2-CD2 4.49Å; L26-F30 HydrophobicContact CD2-CE2 3.94Å; L26-F30 VanDerWaalsContact O-CD2 3.28Å; L26-F30 WeakPolarHBondContact O-CD2 3.11Å; L26-F30 PolarHBondContact O-N 3.08Å; E27-F30 PolarHBondContact O-N 3.41Å; F30-S32 VanDerWaalsContact C-N 3.32Å; F30-S36 WeakPolarHBondContact CA-OG 3.19Å; F30-S36 PolarHBondContact O-OG 2.9Å; F30-G38 CarbonylContact O-C 3.58Å; F30-G38 WeakPolarHBondContact O-CA 3.48Å; F30-G39 PolarHBondContact O-N 3.12Å; F30-C41 VanDerWaalsContact CB-SG 3.56Å; F30-V56 HydrophobicContact CB-CG1 4.24Å; F30-V56 HydrophobicContact CD2-CG1 4.21Å; F30-V56 HydrophobicContact CD2-CG2 3.94Å; F30-V56 HydrophobicContact CE2-CG2 4.03Å; F30-V56 HydrophobicContact CG-CG1 4.27Å; F30-F58 HydrophobicContact CB-CE1 4.03Å; F30-F58 HydrophobicContact CB-CZ 3.97Å; F30-F58 AromaticContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CG-CZ 4.09Å; F30-V67 HydrophobicContact CD1-CG1 4.06Å; F30-V67 HydrophobicContact CD1-CG2 4.18Å; F30-V67 HydrophobicContact CE1-CG1 3.64Å; F30-I84 HydrophobicContact CE2-CG2 4.21Å; F30-I84 HydrophobicContact CZ-CG2 3.93Å; F30-L86 HydrophobicContact CZ-CD2 4.4Å
31Q89.3Confident84Confident92 Ų9261.7 Ų61.743%0.4331%0.305SS..Hα-helixtrans-72.3-23168.7-70.71751.100113.2E27 S33 G39 C41E27-Q31 WeakPolarHBondContact O-CB 3.18Å; E27-Q31 VanDerWaalsContact O-CG 3.27Å; E27-Q31 WeakPolarHBondContact O-CG 3.46Å; E27-Q31 PolarHBondContact O-N 2.99Å; Q31-S33 PolarHBondContact O-N 3.49Å; Q31-G39 WeakPolarHBondContact CA-O 3.45Å; Q31-C41 PolarHBondContact NE2-O 3.15Å
32S85.8Confident84.7Confident36 Ų3655.8 Ų55.825%0.25229%0.289SS..  trans-79.8105.3179.6176.90000112.9S28 Y29 F30 K34 S35 S36 G37S28-S32 PolarHBondContact O-N 2.91Å; Y29-S32 PolarHBondContact O-N 3.15Å; F30-S32 VanDerWaalsContact C-N 3.32Å; S32-K34 PolarHBondContact O-N 3.33Å; S32-S35 PolarHBondContact O-N 2.67Å; S32-S35 VanDerWaalsContact O-N 3.16Å; S32-S35 VanDerWaalsContact OG-CB 3.25Å; S32-S35 WeakPolarHBondContact OG-CB 3.18Å; S32-S35 PolarHBondContact OG-N 3.28Å; S32-S35 PolarHBondContact OG-OG 2.89Å; S32-S36 PolarHBondContact O-N 3.38Å; S32-S36 PolarHBondContact O-OG 3.41Å; S32-G37 PolarHBondContact O-N 3.46Å
33S78.8Confident85.2Confident83 Ų8355.2 Ų55.258%0.5829%0.286SS*.THydrogen-bonded Turntrans-57.3-30.6174.461.20000113.7Q31 G37Q31-S33 PolarHBondContact O-N 3.49Å; S33-G37 VanDerWaalsContact O-CA 3.22Å; S33-G37 WeakPolarHBondContact O-CA 3.47Å; S33-G37 PolarHBondContact O-N 3.38Å
34K79.1Confident85.3Confident190 Ų19060 Ų6083%0.82630%0.302SS*.THydrogen-bonded Turntrans-77.3-42.9174.7-65.9-177.2179.4-179.90112.3S32S32-K34 PolarHBondContact O-N 3.33Å
35S79.2Confident85.2Confident56 Ų5654.4 Ų54.439%0.39229%0.289SS..THydrogen-bonded Turntrans-83.2-35.5-170.5-49.80000113.2Y29 S32 K70Y29-S35 WeakPolarHBondContact CE2-O 3.24Å; Y29-S35 PolarHBondContact OH-O 2.86Å; Y29-S35 VanDerWaalsContact OH-O 3.06Å; S32-S35 PolarHBondContact O-N 2.67Å; S32-S35 VanDerWaalsContact O-N 3.16Å; S32-S35 VanDerWaalsContact OG-CB 3.25Å; S32-S35 WeakPolarHBondContact OG-CB 3.18Å; S32-S35 PolarHBondContact OG-N 3.28Å; S32-S35 PolarHBondContact OG-OG 2.89Å; S35-K70 PolarHBondContact O-NZ 2.93Å
36S85.6Confident84.9Confident0 Ų054 Ų540%029%0.288CS..THydrogen-bonded Turntrans-119.8-17.8-179.163.50000114.3Y29 F30 S32 G38 H73Y29-S36 VanDerWaalsContact CE1-CB 3.49Å; Y29-S36 WeakPolarHBondContact O-CB 3.32Å; Y29-S36 PolarHBondContact O-OG 2.97Å; F30-S36 WeakPolarHBondContact CA-OG 3.19Å; F30-S36 PolarHBondContact O-OG 2.9Å; S32-S36 PolarHBondContact O-N 3.38Å; S32-S36 PolarHBondContact O-OG 3.41Å; S36-G38 VanDerWaalsContact C-N 3.27Å; S36-G38 PolarHBondContact OG-N 2.91Å; S36-G38 VanDerWaalsContact OG-N 3.15Å; S36-H73 PolarHBondContact O-CE1 2.88Å
37G82.4Confident83.3Confident14 Ų1462.2 Ų62.214%0.14433%0.327CS..SBendtrans85.2-3.5-168.600000113.9S32 S33 R66S32-G37 PolarHBondContact O-N 3.46Å; S33-G37 VanDerWaalsContact O-CA 3.22Å; S33-G37 WeakPolarHBondContact O-CA 3.47Å; S33-G37 PolarHBondContact O-N 3.38Å; G37-R66 WeakPolarHBondContact O-CB 3.32Å; G37-R66 PolarHBondContact O-NE 2.85Å
38G85.3Confident81.8Confident0 Ų068.1 Ų68.10%035%0.354CS..  trans-77.1-136.6-173.600000115.1F30 S36 R66 V67F30-G38 CarbonylContact O-C 3.58Å; F30-G38 WeakPolarHBondContact O-CA 3.48Å; S36-G38 VanDerWaalsContact C-N 3.27Å; S36-G38 PolarHBondContact OG-N 2.91Å; S36-G38 VanDerWaalsContact OG-N 3.15Å; G38-R66 PolarHBondContact O-NH2 3.39Å; G38-V67 VanDerWaalsContact CA-CG2 3.46Å
39G83.9Confident80.7Confident15 Ų1567.9 Ų67.916%0.15534%0.344CS..  trans168.5-172.5-16800000109.6F30 Q31 C41F30-G39 PolarHBondContact O-N 3.12Å; Q31-G39 WeakPolarHBondContact CA-O 3.45Å; G39-C41 PolarHBondContact O-N 2.82Å
40E85.6Confident79.5Confident145 Ų14568.8 Ų68.868%0.67836%0.357SS*.SBendtrans-49.2126-177.5-170-174.3-130.600111.6F58 S59E40-F58 CarbonylContact O-C 3.45Å; E40-F58 WeakPolarHBondContact O-CA 3.21Å; E40-S59 WeakPolarHBondContact CG-OG 3.46Å; E40-S59 PolarHBondContact O-N 2.85Å; E40-S59 PolarHBondContact O-OG 2.91Å; E40-S59 WeakPolarHBondContact OE2-CB 3.42Å; E40-S59 PolarHBondContact OE2-OG 3Å
41C88.3Confident78.4Confident3 Ų374.9 Ų74.92%0.0240%0.396CS..EExtended strand (participates in β ladder)trans-156.6159.8-177.272.60000111.6F30 Q31 G39 V56 E57 F58F30-C41 VanDerWaalsContact CB-SG 3.56Å; Q31-C41 PolarHBondContact NE2-O 3.15Å; G39-C41 PolarHBondContact O-N 2.82Å; C41-V56 HydrophobicContact CB-CG1 4.1Å; C41-E57 CarbonylContact C-O 3.5Å; C41-E57 WeakPolarHBondContact CA-O 3.31Å; C41-E57 WeakPolarHBondContact CB-O 3.19Å; C41-F58 HydrophobicContact CB-CB 4.41Å; C41-F58 HydrophobicContact CB-CD1 3.55Å; C41-F58 HydrophobicContact CB-CE1 3.88Å; C41-F58 HydrophobicContact CB-CG 4Å
42T85.6Confident77.7Confident61 Ų6171 Ų7137%0.37438%0.381SS..EExtended strand (participates in β ladder)trans-118.1146.7169.569.10000111.2E27 V56 E57E27-T42 VanDerWaalsContact OE1-CA 3.29Å; E27-T42 WeakPolarHBondContact OE1-CA 3.3Å; T42-V56 WeakPolarHBondContact O-CA 3.49Å; T42-E57 PolarHBondContact N-O 3.27Å; T42-E57 PolarHBondContact O-N 2.78Å
43V87.8Confident77.7Confident2 Ų269.5 Ų69.51%0.01237%0.37CS..EExtended strand (participates in β ladder)trans-122.1130.3-178.9-175.50000111.2Q23 L26 E27 F54 R55 V56Q23-V43 HydrophobicContact CG-CB 4.47Å; Q23-V43 HydrophobicContact CG-CG1 4.3Å; Q23-V43 PolarHBondContact NE2-O 3.07Å; L26-V43 HydrophobicContact CB-CG1 4.2Å; L26-V43 HydrophobicContact CB-CG2 4.5Å; L26-V43 HydrophobicContact CD1-CG1 4.47Å; E27-V43 HydrophobicContact CB-CB 4.1Å; E27-V43 HydrophobicContact CB-CG2 3.7Å; E27-V43 HydrophobicContact CG-CG2 4.13Å; E27-V43 PolarHBondContact OE1-N 3.12Å; V43-F54 HydrophobicContact CG1-CB 3.85Å; V43-F54 HydrophobicContact CG1-CD1 4.09Å; V43-F54 HydrophobicContact CG1-CG 4.29Å; V43-R55 WeakPolarHBondContact CA-O 3.44Å; V43-V56 HydrophobicContact CG1-CG2 4.42Å; V43-V56 HydrophobicContact CG2-CB 4.49Å; V43-V56 HydrophobicContact CG2-CG1 4.15Å; V43-V56 HydrophobicContact CG2-CG2 4.08Å
44R84.3Confident78Confident151 Ų15166.1 Ų66.157%0.5735%0.345SS*.EExtended strand (participates in β ladder)trans-130.1145.6177.3-58.4-174-171.1-171.73.2111.6F54 R55R44-F54 CarbonylContact O-C 3.58Å; R44-F54 WeakPolarHBondContact O-CA 3.46Å; R44-R55 PolarHBondContact N-O 2.91Å; R44-R55 PolarHBondContact O-N 3.3Å
45P81.8Confident78.4Confident65 Ų6560.3 Ų60.342%0.42232%0.318SS..EExtended strand (participates in β ladder)trans-66.6148.617029.8-34.6000110.9F54P45-F54 HydrophobicContact CB-CD1 4.34Å; P45-F54 HydrophobicContact CB-CE1 4.29Å
46Q79.4Confident78.8Confident64 Ų6457.6 Ų57.630%0.29930%0.299SS..  trans-10499.1178.9-173.568.120.100109.9H48 E49 T53Q46-H48 PolarHBondContact O-N 3.27Å; Q46-H48 VanDerWaalsContact O-N 3.09Å; Q46-E49 HydrophobicContact CB-CB 4.37Å; Q46-E49 HydrophobicContact CG-CB 3.92Å; Q46-E49 HydrophobicContact CG-CG 4.01Å; Q46-E49 PolarHBondContact O-N 2.78Å; Q46-T53 HydrophobicContact CB-CG2 4.03Å; Q46-T53 PolarHBondContact N-O 3.15Å
47E53.8Low78.9Confident173 Ų17360.6 Ų60.681%0.80831%0.313SS*.THydrogen-bonded Turntrans-69-8.1-168.4-62-178174.400115.7
48H55.3Low79.1Confident178 Ų17860.2 Ų60.282%0.82431%0.308SS*.THydrogen-bonded Turntrans-115.813.6-179.4-61.8-40.1000113.7Q46Q46-H48 PolarHBondContact O-N 3.27Å; Q46-H48 VanDerWaalsContact O-N 3.09Å
49E63.8Low78.9Confident73 Ų7363.4 Ų63.434%0.34133%0.33SS..SBendtrans-119.7176.2176.3-88.7-163.4-12900112.5L12 Q46 T53L12-E49 WeakPolarHBondContact CD1-OE1 3.31Å; Q46-E49 HydrophobicContact CB-CB 4.37Å; Q46-E49 HydrophobicContact CG-CB 3.92Å; Q46-E49 HydrophobicContact CG-CG 4.01Å; Q46-E49 PolarHBondContact O-N 2.78Å; E49-T53 HydrophobicContact CB-CG2 4.28Å; E49-T53 WeakPolarHBondContact OE2-CG2 3.43Å; E49-T53 PolarHBondContact OE2-OG1 2.88Å
50A65.1Low78.7Confident44 Ų4468.1 Ų68.136%0.36435%0.348SS..SBendtrans-54.5145.617800000112.4G52 T53A50-G52 PolarHBondContact O-N 2.75Å; A50-T53 PolarHBondContact O-N 3.34Å; A50-T53 VanDerWaalsContact O-N 3.15Å; A50-T53 PolarHBondContact O-OG1 3.03Å
51P67Low78.3Confident127 Ų12766.1 Ų66.183%0.82533%0.334SS*.THydrogen-bonded Turntrans-53.3129.8180-26.534.5000112.5
52G73.9Confident77.8Confident11 Ų1168.2 Ų68.211%0.11335%0.352CS..THydrogen-bonded Turntrans90.75.8-178.300000115.5R14 V15 A50 F54R14-G52 WeakPolarHBondContact CA-O 3.32Å; V15-G52 PolarHBondContact N-O 2.81Å; A50-G52 PolarHBondContact O-N 2.75Å; G52-F54 VanDerWaalsContact O-CD2 3.31Å; G52-F54 WeakPolarHBondContact O-CD2 3.49Å; G52-F54 WeakPolarHBondContact O-CE2 3.49Å
53T85.2Confident77.5Confident5 Ų565.3 Ų65.33%0.03133%0.334CS..EExtended strand (participates in β ladder)trans-78.7134164.4-63.20000111.6L12 V13 R14 Q46 E49 A50L12-T53 HydrophobicContact CD2-CG2 4.15Å; V13-T53 CarbonylContact O-C 3.6Å; V13-T53 WeakPolarHBondContact O-CA 3.35Å; R14-T53 PolarHBondContact NE-OG1 2.85Å; Q46-T53 HydrophobicContact CB-CG2 4.03Å; Q46-T53 PolarHBondContact N-O 3.15Å; E49-T53 HydrophobicContact CB-CG2 4.28Å; E49-T53 WeakPolarHBondContact OE2-CG2 3.43Å; E49-T53 PolarHBondContact OE2-OG1 2.88Å; A50-T53 PolarHBondContact O-N 3.34Å; A50-T53 VanDerWaalsContact O-N 3.15Å; A50-T53 PolarHBondContact O-OG1 3.03Å
54F85.8Confident77.4Confident11 Ų1166.1 Ų66.15%0.04834%0.337CS..EExtended strand (participates in β ladder)trans-126.2149.6173.5-62-95.3000111.1V13 V15 V22 Q23 L26 V43 R44 P45 G52V13-F54 HydrophobicContact CG2-CB 3.94Å; V13-F54 PolarHBondContact N-O 3.06Å; V13-F54 PolarHBondContact O-N 2.77Å; V15-F54 HydrophobicContact CG2-CD2 3.83Å; V15-F54 HydrophobicContact CG2-CE2 3.52Å; V22-F54 HydrophobicContact CB-CZ 4.39Å; V22-F54 HydrophobicContact CG1-CE2 4.06Å; V22-F54 HydrophobicContact CG1-CZ 4.08Å; Q23-F54 HydrophobicContact CB-CD1 4.46Å; Q23-F54 HydrophobicContact CB-CE1 3.93Å; Q23-F54 HydrophobicContact CG-CD1 4.45Å; Q23-F54 HydrophobicContact CG-CE1 4.34Å; L26-F54 HydrophobicContact CD1-CB 4.02Å; L26-F54 HydrophobicContact CD1-CD1 4.12Å; L26-F54 HydrophobicContact CD1-CD2 3.38Å; L26-F54 HydrophobicContact CD1-CE1 4.46Å; L26-F54 HydrophobicContact CD1-CE2 3.8Å; L26-F54 HydrophobicContact CD1-CG 3.56Å; L26-F54 HydrophobicContact CD1-CZ 4.32Å; V43-F54 HydrophobicContact CG1-CB 3.85Å; V43-F54 HydrophobicContact CG1-CD1 4.09Å; V43-F54 HydrophobicContact CG1-CG 4.29Å; R44-F54 CarbonylContact O-C 3.58Å; R44-F54 WeakPolarHBondContact O-CA 3.46Å; P45-F54 HydrophobicContact CB-CD1 4.34Å; P45-F54 HydrophobicContact CB-CE1 4.29Å; G52-F54 VanDerWaalsContact O-CD2 3.31Å; G52-F54 WeakPolarHBondContact O-CD2 3.49Å; G52-F54 WeakPolarHBondContact O-CE2 3.49Å
55R88.3Confident77.2Confident68 Ų6863.8 Ų63.826%0.25733%0.333SS..EExtended strand (participates in β ladder)trans-106.6120177.4-173.1174173.9-88.3-8.1109P10 L12 V43 R44 E57P10-R55 HydrophobicContact CB-CG 3.64Å; P10-R55 HydrophobicContact CG-CG 4.46Å; L12-R55 HydrophobicContact CD2-CB 4.15Å; L12-R55 HydrophobicContact CD2-CG 4.31Å; V43-R55 WeakPolarHBondContact CA-O 3.44Å; R44-R55 PolarHBondContact N-O 2.91Å; R44-R55 PolarHBondContact O-N 3.3Å; R55-E57 IonicContact CZ-OE1 3.04Å; R55-E57 IonicContact NH1-OE1 2.73Å; R55-E57 PolarHBondContact NH1-OE1 3.25Å; R55-E57 IonicContact NH1-OE2 3.24Å; R55-E57 IonicContact NH2-OE1 3.62Å; R55-E57 PolarHBondContact NH2-OE1 3.32Å
56V87.8Confident77.4Confident0 Ų066 Ų660%033%0.333CS..EExtended strand (participates in β ladder)trans-107.5119.3-178.7-1720000109.3P10 L11 V13 F30 C41 T42 V43 F58P10-V56 WeakPolarHBondContact CA-O 3.18Å; L11-V56 HydrophobicContact CB-CB 4.36Å; L11-V56 PolarHBondContact N-O 2.77Å; L11-V56 PolarHBondContact O-N 3.04Å; V13-V56 HydrophobicContact CG1-CG2 3.98Å; V13-V56 HydrophobicContact CG2-CG2 3.76Å; F30-V56 HydrophobicContact CB-CG1 4.24Å; F30-V56 HydrophobicContact CD2-CG1 4.21Å; F30-V56 HydrophobicContact CD2-CG2 3.94Å; F30-V56 HydrophobicContact CE2-CG2 4.03Å; F30-V56 HydrophobicContact CG-CG1 4.27Å; C41-V56 HydrophobicContact CB-CG1 4.1Å; T42-V56 WeakPolarHBondContact O-CA 3.49Å; V43-V56 HydrophobicContact CG1-CG2 4.42Å; V43-V56 HydrophobicContact CG2-CB 4.49Å; V43-V56 HydrophobicContact CG2-CG1 4.15Å; V43-V56 HydrophobicContact CG2-CG2 4.08Å; V56-F58 HydrophobicContact CB-CE2 4.28Å; V56-F58 HydrophobicContact CG1-CD2 4.14Å; V56-F58 HydrophobicContact CG1-CE1 4.36Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.68Å
57E87.7Confident77.6Confident63 Ų6363 Ų6329%0.29432%0.318SS..EExtended strand (participates in β ladder)trans-108.2112.8175.6-68.3-176139.900109.4P10 C41 T42 R55P10-E57 HydrophobicContact CB-CG 4.27Å; C41-E57 CarbonylContact C-O 3.5Å; C41-E57 WeakPolarHBondContact CA-O 3.31Å; C41-E57 WeakPolarHBondContact CB-O 3.19Å; T42-E57 PolarHBondContact N-O 3.27Å; T42-E57 PolarHBondContact O-N 2.78Å; R55-E57 IonicContact CZ-OE1 3.04Å; R55-E57 IonicContact NH1-OE1 2.73Å; R55-E57 PolarHBondContact NH1-OE1 3.25Å; R55-E57 IonicContact NH1-OE2 3.24Å; R55-E57 IonicContact NH2-OE1 3.62Å; R55-E57 PolarHBondContact NH2-OE1 3.32Å
58F85Confident79Confident6 Ų658.7 Ų58.73%0.02630%0.301CS..EExtended strand (participates in β ladder)trans-87.2142175.4-66.4-87.8000110.8P8 L11 F30 E40 C41 V56 E60 A63 K64 V67P8-F58 WeakPolarHBondContact CD-O 3.31Å; P8-F58 HydrophobicContact CG-CB 4.17Å; P8-F58 WeakPolarHBondContact CG-O 3.45Å; L11-F58 HydrophobicContact CB-CE2 4.22Å; L11-F58 HydrophobicContact CD2-CE2 3.91Å; F30-F58 HydrophobicContact CB-CE1 4.03Å; F30-F58 HydrophobicContact CB-CZ 3.97Å; F30-F58 AromaticContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CD1-CZ 3.88Å; F30-F58 HydrophobicContact CG-CZ 4.09Å; E40-F58 CarbonylContact O-C 3.45Å; E40-F58 WeakPolarHBondContact O-CA 3.21Å; C41-F58 HydrophobicContact CB-CB 4.41Å; C41-F58 HydrophobicContact CB-CD1 3.55Å; C41-F58 HydrophobicContact CB-CE1 3.88Å; C41-F58 HydrophobicContact CB-CG 4Å; V56-F58 HydrophobicContact CB-CE2 4.28Å; V56-F58 HydrophobicContact CG1-CD2 4.14Å; V56-F58 HydrophobicContact CG1-CE1 4.36Å; V56-F58 HydrophobicContact CG1-CE2 3.56Å; V56-F58 HydrophobicContact CG1-CZ 3.68Å; F58-E60 VanDerWaalsContact C-N 3.28Å; F58-E60 PolarHBondContact O-N 2.88Å; F58-A63 HydrophobicContact CB-CB 4.38Å; F58-A63 HydrophobicContact CD1-CB 3.84Å; F58-A63 HydrophobicContact CG-CB 4.32Å; F58-K64 HydrophobicContact CD2-CB 3.82Å; F58-K64 HydrophobicContact CD2-CG 4.33Å; F58-K64 HydrophobicContact CE2-CB 4.39Å; F58-K64 HydrophobicContact CG-CB 4.3Å; F58-V67 HydrophobicContact CE1-CG2 4.12Å; F58-V67 HydrophobicContact CZ-CB 4.44Å; F58-V67 HydrophobicContact CZ-CG2 3.82Å
59S80.9Confident80.3Confident66 Ų6659.4 Ų59.446%0.46230%0.301SS..SBendtrans-63.2-36.5171-56.90000111.5E40E40-S59 WeakPolarHBondContact CG-OG 3.46Å; E40-S59 PolarHBondContact O-N 2.85Å; E40-S59 PolarHBondContact O-OG 2.91Å; E40-S59 WeakPolarHBondContact OE2-CB 3.42Å; E40-S59 PolarHBondContact OE2-OG 3Å
60E80.4Confident81.1Confident114 Ų11460.6 Ų60.653%0.53331%0.306SS..  trans-111.1135-177.3-65.5-174.3170.300113.7F58 A62 A63 K64F58-E60 VanDerWaalsContact C-N 3.28Å; F58-E60 PolarHBondContact O-N 2.88Å; E60-A62 VanDerWaalsContact C-N 3.29Å; E60-A62 PolarHBondContact O-N 2.92Å; E60-A63 HydrophobicContact CB-CB 4.11Å; E60-A63 WeakPolarHBondContact O-CB 3.45Å; E60-A63 PolarHBondContact O-N 2.02Å; E60-K64 PolarHBondContact O-N 3.42Å
61R76.6Confident81.7Confident104 Ų10460.7 Ų60.739%0.39231%0.31SS..Hα-helixtrans-59.3-39171.1-169.8-178.2-61.2161.55.7112.4D4 P8 A63 K64 E65D4-R61 IonicContact OD2-CZ 3.36Å; D4-R61 IonicContact OD2-NH1 3.75Å; D4-R61 PolarHBondContact OD2-NH1 3.45Å; D4-R61 IonicContact OD2-NH2 3.81Å; D4-R61 PolarHBondContact OD2-NH2 3.15Å; P8-R61 HydrophobicContact CB-CB 4.24Å; P8-R61 HydrophobicContact CB-CG 4.39Å; R61-A63 VanDerWaalsContact C-N 3.31Å; R61-A63 PolarHBondContact O-N 3.33Å; R61-K64 PolarHBondContact O-N 2.68Å; R61-E65 PolarHBondContact O-N 3.15Å; R61-E65 VanDerWaalsContact O-N 3.08Å
62A78.7Confident82.5Confident47 Ų4763 Ų6339%0.38831%0.31SS..Hα-helixtrans-64-33.717900000112.7E60 E65 R66E60-A62 VanDerWaalsContact C-N 3.29Å; E60-A62 PolarHBondContact O-N 2.92Å; A62-E65 PolarHBondContact O-N 3.43Å; A62-R66 WeakPolarHBondContact O-CG 2.94Å; A62-R66 PolarHBondContact O-N 2.96Å; A62-R66 VanDerWaalsContact O-N 3.07Å
63A80.1Confident83.2Confident0 Ų063 Ų630%031%0.307CS..Hα-helixtrans-64.5-46174.300000111.7F58 E60 R61 E65 R66 V67F58-A63 HydrophobicContact CB-CB 4.38Å; F58-A63 HydrophobicContact CD1-CB 3.84Å; F58-A63 HydrophobicContact CG-CB 4.32Å; E60-A63 HydrophobicContact CB-CB 4.11Å; E60-A63 WeakPolarHBondContact O-CB 3.45Å; E60-A63 PolarHBondContact O-N 2.02Å; R61-A63 VanDerWaalsContact C-N 3.31Å; R61-A63 PolarHBondContact O-N 3.33Å; A63-E65 PolarHBondContact O-N 2.82Å; A63-R66 PolarHBondContact O-N 2.87Å; A63-V67 WeakPolarHBondContact O-CG2 3.4Å; A63-V67 PolarHBondContact O-N 3.28Å; A63-V67 VanDerWaalsContact O-N 3.09Å
64K84.1Confident83.2Confident18 Ų1868.2 Ų68.28%0.07833%0.331CS..Hα-helixtrans-60.2-43.1175.4179.3172.9173.6173.60112.3P8 S9 P10 L11 F58 E60 R61 V67 L68P8-K64 HydrophobicContact CB-CD 4.22Å; S9-K64 VanDerWaalsContact O-CD 3.25Å; S9-K64 WeakPolarHBondContact O-CD 3.47Å; S9-K64 PolarHBondContact O-NZ 3Å; S9-K64 PolarHBondContact OG-NZ 2.97Å; P10-K64 PolarHBondContact O-NZ 3.09Å; L11-K64 HydrophobicContact CB-CD 4.49Å; F58-K64 HydrophobicContact CD2-CB 3.82Å; F58-K64 HydrophobicContact CD2-CG 4.33Å; F58-K64 HydrophobicContact CE2-CB 4.39Å; F58-K64 HydrophobicContact CG-CB 4.3Å; E60-K64 PolarHBondContact O-N 3.42Å; R61-K64 PolarHBondContact O-N 2.68Å; K64-V67 PolarHBondContact O-N 2.88Å; K64-L68 HydrophobicContact CG-CD1 3.98Å; K64-L68 WeakPolarHBondContact O-CG 3.48Å; K64-L68 PolarHBondContact O-N 3.49Å
65E81Confident83.2Confident103 Ų10368.2 Ų68.248%0.48133%0.332SS..Hα-helixtrans-67.1-36.9180-70.9-175.3162.800112.7R61 A62 A63 K69R61-E65 PolarHBondContact O-N 3.15Å; R61-E65 VanDerWaalsContact O-N 3.08Å; A62-E65 PolarHBondContact O-N 3.43Å; A63-E65 PolarHBondContact O-N 2.82Å; E65-K69 WeakPolarHBondContact O-CB 3.29Å; E65-K69 PolarHBondContact O-N 3.49Å
66R84.9Confident82.8Confident111 Ų11170.2 Ų70.242%0.41935%0.347SS..Hα-helixtrans-65.5-40.2173.5-72.6-174.8-51.7-104.67.3112.7G37 G38 A62 A63 K69 K70G37-R66 WeakPolarHBondContact O-CB 3.32Å; G37-R66 PolarHBondContact O-NE 2.85Å; G38-R66 PolarHBondContact O-NH2 3.39Å; A62-R66 WeakPolarHBondContact O-CG 2.94Å; A62-R66 PolarHBondContact O-N 2.96Å; A62-R66 VanDerWaalsContact O-N 3.07Å; A63-R66 PolarHBondContact O-N 2.87Å; R66-K69 PolarHBondContact O-N 2.96Å; R66-K70 PolarHBondContact O-N 2.94Å; R66-K70 VanDerWaalsContact O-N 3.14Å
67V85.3Confident82.3Confident0 Ų071.4 Ų71.40%035%0.354CS..Hα-helixtrans-60.6-54.6173.9169.20000110.1L11 F30 G38 F58 A63 K64 K69 K70 H73 L86L11-V67 HydrophobicContact CD2-CG1 3.67Å; F30-V67 HydrophobicContact CD1-CG1 4.06Å; F30-V67 HydrophobicContact CD1-CG2 4.18Å; F30-V67 HydrophobicContact CE1-CG1 3.64Å; G38-V67 VanDerWaalsContact CA-CG2 3.46Å; F58-V67 HydrophobicContact CE1-CG2 4.12Å; F58-V67 HydrophobicContact CZ-CB 4.44Å; F58-V67 HydrophobicContact CZ-CG2 3.82Å; A63-V67 WeakPolarHBondContact O-CG2 3.4Å; A63-V67 PolarHBondContact O-N 3.28Å; A63-V67 VanDerWaalsContact O-N 3.09Å; K64-V67 PolarHBondContact O-N 2.88Å; V67-K69 PolarHBondContact O-N 3.49Å; V67-K70 WeakPolarHBondContact O-CB 2.9Å; V67-K70 PolarHBondContact O-N 3.11Å; V67-H73 PolarHBondContact O-NE2 3.16Å; V67-H73 VanDerWaalsContact O-NE2 3.1Å; V67-L86 HydrophobicContact CG1-CD1 4.5Å
68L82.2Confident81.7Confident84 Ų8473.2 Ų73.244%0.4437%0.365SS..Hα-helixtrans-56-36.5177.9-74.7166.4000113.1L11 K64 K70 L86L11-L68 HydrophobicContact CD1-CD2 3.78Å; L11-L68 HydrophobicContact CD1-CG 4.34Å; K64-L68 HydrophobicContact CG-CD1 3.98Å; K64-L68 WeakPolarHBondContact O-CG 3.48Å; K64-L68 PolarHBondContact O-N 3.49Å; L68-K70 VanDerWaalsContact C-N 3.34Å; L68-L86 HydrophobicContact CD2-CD1 4.07Å
69K81.8Confident81.1Confident192 Ų19280.2 Ų80.284%0.83540%0.403SS*.Hα-helixtrans-74.8-19.9178.4-169.2174.7179.9-176.60113.7E65 R66 V67 G71E65-K69 WeakPolarHBondContact O-CB 3.29Å; E65-K69 PolarHBondContact O-N 3.49Å; R66-K69 PolarHBondContact O-N 2.96Å; V67-K69 PolarHBondContact O-N 3.49Å; K69-G71 VanDerWaalsContact C-N 3.33Å
70K81.7Confident80.9Confident99 Ų9984.4 Ų84.443%0.4341%0.413SS..Hα-helixtrans-72.4-28.1176.9-175.6168.7179.8166.80112.3S35 R66 V67 L68 E72S35-K70 PolarHBondContact O-NZ 2.93Å; R66-K70 PolarHBondContact O-N 2.94Å; R66-K70 VanDerWaalsContact O-N 3.14Å; V67-K70 WeakPolarHBondContact O-CB 2.9Å; V67-K70 PolarHBondContact O-N 3.11Å; L68-K70 VanDerWaalsContact C-N 3.34Å; K70-E72 PolarHBondContact O-N 2.97Å
71G78.3Confident80.8Confident45 Ų4582.8 Ų82.846%0.46441%0.413SS..  trans76.7-78176.100000112.7K69 H73K69-G71 VanDerWaalsContact C-N 3.33Å; G71-H73 PolarHBondContact O-CD2 3.41Å
72E82.3Confident81.2Confident177 Ų17778.9 Ų78.983%0.82740%0.4SS*.  trans-87.4134.3-176.8-68-171.517700112.9K70K70-E72 PolarHBondContact O-N 2.97Å
73H89.8Confident81.5Confident9 Ų979 Ų794%0.04240%0.397CS..EExtended strand (participates in β ladder)trans-133.2135.4-178.5-66.6-73.3000111.4Y29 S36 V67 G71 I84Y29-H73 HydrophobicContact CE1-CB 4Å; Y29-H73 AromaticContact CE1-ND1 3.64Å; Y29-H73 AromaticContact CZ-ND1 3.81Å; Y29-H73 WeakPolarHBondContact OH-CA 3.23Å; Y29-H73 PolarHBondContact OH-ND1 2.81Å; Y29-H73 VanDerWaalsContact OH-ND1 3.08Å; S36-H73 PolarHBondContact O-CE1 2.88Å; V67-H73 PolarHBondContact O-NE2 3.16Å; V67-H73 VanDerWaalsContact O-NE2 3.1Å; G71-H73 PolarHBondContact O-CD2 3.41Å; H73-I84 HydrophobicContact CB-CB 3.8Å; H73-I84 HydrophobicContact CB-CD1 4.26Å; H73-I84 HydrophobicContact CB-CG2 4.44Å; H73-I84 PolarHBondContact O-N 2.75Å
74Q85.4Confident81.9Confident116 Ų11679.3 Ų79.354%0.54240%0.399SS..EExtended strand (participates in β ladder)trans-150.1139.3-179.1-173.1-176.383.900109.3Y29 P81 V82Y29-Q74 WeakPolarHBondContact CE2-O 3.4Å; Y29-Q74 PolarHBondContact OH-N 2.98Å; Q74-P81 HydrophobicContact CG-CB 4.02Å; Q74-V82 WeakPolarHBondContact CA-O 3.39Å
75M85.6Confident82Confident11 Ų1184 Ų845%0.05442%0.419CS..EExtended strand (participates in β ladder)trans-129.8163.1175.765.6172.5-179.400111.6V15 V22 K25 L26 Y29 V77 V82 I84V15-M75 HydrophobicContact CB-CE 4.5Å; V15-M75 HydrophobicContact CG1-CE 4.01Å; V22-M75 HydrophobicContact CG1-CE 3.94Å; K25-M75 HydrophobicContact CB-SD 3.98Å; L26-M75 HydrophobicContact CD2-CE 4.03Å; L26-M75 HydrophobicContact CD2-SD 4.02Å; L26-M75 HydrophobicContact CG-CE 3.91Å; L26-M75 HydrophobicContact CG-SD 4.06Å; Y29-M75 HydrophobicContact CD2-CB 4.08Å; Y29-M75 HydrophobicContact CG-CB 4.25Å; M75-V77 HydrophobicContact CE-CG2 3.63Å; M75-V77 HydrophobicContact CG-CG2 4.3Å; M75-V77 HydrophobicContact SD-CG2 4.28Å; M75-V82 HydrophobicContact CE-CG1 4.37Å; M75-V82 HydrophobicContact CG-CB 4.44Å; M75-V82 PolarHBondContact N-O 3.3Å; M75-V82 PolarHBondContact O-N 3.33Å; M75-I84 HydrophobicContact CB-CD1 4.03Å; M75-I84 HydrophobicContact CG-CD1 3.89Å; M75-I84 HydrophobicContact CG-CG1 4.18Å; M75-I84 HydrophobicContact SD-CD1 4.21Å
76L78.4Confident82.3Confident110 Ų11081.1 Ų81.158%0.57641%0.407SS*.EExtended strand (participates in β ladder)trans-98.4106.1178.5-68.6170.8000111.6K25 K80 P81K25-L76 WeakPolarHBondContact CD-O 3.43Å; K25-L76 PolarHBondContact NZ-O 2.93Å; L76-K80 WeakPolarHBondContact CA-O 3.26Å; L76-P81 HydrophobicContact CD2-CB 4.47Å
77V77.8Confident82Confident24 Ų2477.6 Ų77.615%0.14540%0.398CS..EExtended strand (participates in β ladder)trans-100.6118.7169.1-171.80000107.6K25 M75 N79 K80 V82K25-V77 HydrophobicContact CD-CG2 4.23Å; M75-V77 HydrophobicContact CE-CG2 3.63Å; M75-V77 HydrophobicContact CG-CG2 4.3Å; M75-V77 HydrophobicContact SD-CG2 4.28Å; V77-N79 VanDerWaalsContact C-N 3.31Å; V77-N79 PolarHBondContact O-N 2.81Å; V77-K80 PolarHBondContact N-O 2.8Å; V77-K80 WeakPolarHBondContact O-CA 3.38Å; V77-K80 WeakPolarHBondContact O-CB 3.39Å; V77-K80 PolarHBondContact O-N 3.42Å; V77-K80 VanDerWaalsContact O-O 3.12Å; V77-V82 HydrophobicContact CB-CG2 3.74Å; V77-V82 HydrophobicContact CG2-CB 4.13Å; V77-V82 HydrophobicContact CG2-CG2 3.68Å
78D75.5Confident80.9Confident101 Ų10183.2 Ų83.254%0.5443%0.434SS..THydrogen-bonded Turntrans45.752178-52.3-10.4000113.5K25 K80K25-D78 IonicContact NZ-OD1 2.7Å; D78-K80 PolarHBondContact O-N 3.42Å; D78-K80 VanDerWaalsContact O-N 3.16Å
79N72.7Confident79.6Confident153 Ų15382.1 Ų82.182%0.81843%0.431SS*.THydrogen-bonded Turntrans58.713-175.4-67.8-2.2000116.4V77V77-N79 VanDerWaalsContact C-N 3.31Å; V77-N79 PolarHBondContact O-N 2.81Å
80K76.1Confident77.8Confident155 Ų15582.1 Ų82.167%0.67443%0.434SS*.EExtended strand (participates in β ladder)trans-105.7137.9170.8-63.3-177.9179.8-178.70111L76 V77 D78 V82L76-K80 WeakPolarHBondContact CA-O 3.26Å; V77-K80 PolarHBondContact N-O 2.8Å; V77-K80 WeakPolarHBondContact O-CA 3.38Å; V77-K80 WeakPolarHBondContact O-CB 3.39Å; V77-K80 PolarHBondContact O-N 3.42Å; V77-K80 VanDerWaalsContact O-O 3.12Å; D78-K80 PolarHBondContact O-N 3.42Å; D78-K80 VanDerWaalsContact O-N 3.16Å; K80-V82 PolarHBondContact O-N 3.49Å
81P79.5Confident75.8Confident80 Ų8085.4 Ų85.452%0.51946%0.456SS..EExtended strand (participates in β ladder)trans-69.7126.6172.627.8-32.1000110.5Q74 L76Q74-P81 HydrophobicContact CG-CB 4.02Å; L76-P81 HydrophobicContact CD2-CB 4.47Å
82V83.9Confident73.6Confident21 Ų2187.3 Ų87.313%0.12746%0.462CS..EExtended strand (participates in β ladder)trans-117.1118.8175.4179.20000108.4V15 Q74 M75 V77 K80V15-V82 HydrophobicContact CB-CG1 4.27Å; V15-V82 HydrophobicContact CG1-CG1 4.42Å; Q74-V82 WeakPolarHBondContact CA-O 3.39Å; M75-V82 HydrophobicContact CE-CG1 4.37Å; M75-V82 HydrophobicContact CG-CB 4.44Å; M75-V82 PolarHBondContact N-O 3.3Å; M75-V82 PolarHBondContact O-N 3.33Å; V77-V82 HydrophobicContact CB-CG2 3.74Å; V77-V82 HydrophobicContact CG2-CB 4.13Å; V77-V82 HydrophobicContact CG2-CG2 3.68Å; K80-V82 PolarHBondContact O-N 3.49Å
83P85.1Confident71.1Confident51 Ų5187.1 Ų87.133%0.33147%0.465SS..EExtended strand (participates in β ladder)trans-69.9145.8175.230.1-34.2000110.8F85P83-F85 HydrophobicContact CB-CE2 4.03Å; P83-F85 HydrophobicContact CB-CZ 3.91Å; P83-F85 HydrophobicContact CG-CE2 3.8Å; P83-F85 HydrophobicContact CG-CZ 3.84Å
84I88.8Confident68.4Low6 Ų695.3 Ų95.33%0.03150%0.501CS..EExtended strand (participates in β ladder)trans-116.2115.1176.7-54.2161.4000107.5V13 V15 L26 Y29 F30 H73 M75V13-I84 HydrophobicContact CB-CG2 3.91Å; V13-I84 HydrophobicContact CG1-CG2 4.41Å; V13-I84 HydrophobicContact CG2-CG2 4.39Å; V15-I84 HydrophobicContact CG1-CB 4.03Å; V15-I84 HydrophobicContact CG1-CG1 3.64Å; V15-I84 HydrophobicContact CG1-CG2 4.04Å; L26-I84 HydrophobicContact CD2-CD1 3.92Å; L26-I84 HydrophobicContact CD2-CG1 4.02Å; L26-I84 HydrophobicContact CD2-CG2 4.1Å; Y29-I84 HydrophobicContact CD1-CD1 3.47Å; Y29-I84 VanDerWaalsContact CD1-CD1 3.47Å; Y29-I84 HydrophobicContact CE1-CD1 3.51Å; Y29-I84 HydrophobicContact CG-CD1 4.1Å; F30-I84 HydrophobicContact CE2-CG2 4.21Å; F30-I84 HydrophobicContact CZ-CG2 3.93Å; H73-I84 HydrophobicContact CB-CB 3.8Å; H73-I84 HydrophobicContact CB-CD1 4.26Å; H73-I84 HydrophobicContact CB-CG2 4.44Å; H73-I84 PolarHBondContact O-N 2.75Å; M75-I84 HydrophobicContact CB-CD1 4.03Å; M75-I84 HydrophobicContact CG-CD1 3.89Å; M75-I84 HydrophobicContact CG-CG1 4.18Å; M75-I84 HydrophobicContact SD-CD1 4.21Å
85F86.2Confident66Low116 Ų11699 Ų9951%0.50952%0.515SS..EExtended strand (participates in β ladder)trans-94.5125.2-179.1-58.2-81.3000110.1V13 R14 P83V13-F85 CarbonylContact C-O 3.35Å; V13-F85 VanDerWaalsContact CA-O 3.27Å; V13-F85 WeakPolarHBondContact CA-O 3.37Å; R14-F85 PolarHBondContact N-O 3.46Å; R14-F85 PolarHBondContact O-N 3.03Å; P83-F85 HydrophobicContact CB-CE2 4.03Å; P83-F85 HydrophobicContact CB-CZ 3.91Å; P83-F85 HydrophobicContact CG-CE2 3.8Å; P83-F85 HydrophobicContact CG-CZ 3.84Å
86L86.1Confident63.2Low43 Ų43105.6 Ų105.623%0.22555%0.551CS.*EExtended strand (participates in β ladder)trans-80.4126.8173.3-53.3-171.6000109.2L11 V13 F30 V67 L68L11-L86 HydrophobicContact CD2-CD2 4.07Å; L11-L86 HydrophobicContact CG-CD2 4.49Å; V13-L86 HydrophobicContact CG1-CD2 3.67Å; F30-L86 HydrophobicContact CZ-CD2 4.4Å; V67-L86 HydrophobicContact CG1-CD1 4.5Å; L68-L86 HydrophobicContact CD2-CD1 4.07Å
87V79.6Confident60.8Low37 Ų37106.1 Ų106.122%0.22456%0.558CS.*EExtended strand (participates in β ladder)trans-89.1123.9179.9-1770000109.3L12 R14 T89L12-V87 HydrophobicContact CB-CB 3.8Å; L12-V87 HydrophobicContact CB-CG1 4.49Å; L12-V87 HydrophobicContact CB-CG2 4.3Å; L12-V87 PolarHBondContact O-N 2.87Å; R14-V87 HydrophobicContact CB-CG2 4.39Å; V87-T89 PolarHBondContact O-N 3.49Å
88P62.6Low58.3Low117 Ų117115.9 Ų115.976%0.7659%0.593SS**PPolyproline II helixtrans-67.6118.7177.5-18.932000111.7
89T54.7Low56.3Low61 Ų61115.9 Ų115.937%0.37460%0.598SS.*PPolyproline II helixtrans-88.2132.7163.847.40000109.8L12 V87 N91L12-T89 HydrophobicContact CD1-CG2 4.06Å; V87-T89 PolarHBondContact O-N 3.49Å; T89-N91 PolarHBondContact O-N 3.24Å
90E44Very low54.1Low193 Ų193117.3 Ų117.390%0.90260%0.6SS**SBendtrans-56.4-8.5-165.6-65.3179.1130.200117.6S92E90-S92 PolarHBondContact O-N 3.21Å
91N38.4Very low51.6Low167 Ų167117.4 Ų117.489%0.89361%0.606SS**SBendtrans-95.533.5-177-76.5-39.5000114.8T89T89-N91 PolarHBondContact O-N 3.24Å
92S33.3Very low48.9Very low85 Ų85118.5 Ų118.559%0.59462%0.615SS**  trans-142.155.9177.568.80000115.9E90E90-S92 PolarHBondContact O-N 3.21Å
93I30.1Very low46Very low174 Ų174123.1 Ų123.189%0.89265%0.649SS**  trans-97.686.1153.5-57.5179.8000107.9
94K32.4Very low43.1Very low181 Ų181127.8 Ų127.879%0.78767%0.67SS**  trans-81.3126.9170.2-96.3-174.8179174.60109.9N96K94-N96 PolarHBondContact O-N 3.26Å
95K34.6Very low40Very low192 Ų192134.3 Ų134.384%0.83571%0.711SS**  trans-35.7131.9156.9-64.7170.7172.7177.40112
96N27.6Very low37.1Very low151 Ų151137 Ų13781%0.80772%0.724SS**  trans-171102.9132.4-90.5-29.7000109.5K94K94-N96 PolarHBondContact O-N 3.26Å
97T27.9Very low34.1Very low120 Ų120139.4 Ų139.474%0.73675%0.745SS**  86.7106.582.8-54.10000114.7
98R26.1Very low31.5Very low230 Ų230146.9 Ų146.987%0.86878%0.778SS**  165.8164.3123.7-107.2-165.6165.8173.4-3.4111.6
99P33.4Very low29.5Very low100 Ų100145.8 Ų145.865%0.64978%0.779SS**  -125.7179.6-5831.2-10.8000112.7
100Q24.7Very low27.9Very low184 Ų184151.6 Ų151.686%0.8680%0.801SS**  trans26.7136.5158.7-69.7173.5-65.500120.3
101I25Very low26.8Very low157 Ų157148.5 Ų148.581%0.80580%0.796SS**  -153.7155.866.1-79.3165.8000111.3
102S21.8Very low26.8Very low102 Ų102145.6 Ų145.671%0.71379%0.786SS**  trans-57.2150.8174.351.50000115.2
103S23.8Very low26.3Very low118 Ų118147.1 Ų147.183%0.82580%0.797SS**  -156.2154.989.945.80000115
104L23.6Very low25.9Very low150 Ų150143 Ų14379%0.78578%0.784SS**  trans-80.9149.7171.2-61.875.9000110.6
105T23.9Very low25.4Very low143 Ų143141.1 Ų141.188%0.87778%0.782SS**  -160.9141.8114.111.60000114.8
106Q25.3Very low24.9Very low171 Ų171137.2 Ų137.280%0.79978%0.775SS**  trans-66171156.4-67.3158.3-53.600110.1
107S22.7Very low24.8Very low95 Ų95137.3 Ų137.366%0.66477%0.77SS**  cis-177153-12.144.80000108.9
108Q24.8Very low24.7Very low193 Ų193138.5 Ų138.590%0.90277%0.767SS**  trans48.2123.2149.6-68.6-178.9-24.200122.9
109A22.4Very low24.6Very low95 Ų95134.1 Ų134.179%0.78576%0.756SS**  trans174.9114.3132.500000107.7
110E21Very low24.3Very low182 Ų182137.8 Ų137.885%0.8577%0.765SS**  6494.983.8-70.2-165.3162.700116.4
111T19.4Very low24.2Very low128 Ų128132.5 Ų132.579%0.78576%0.76SS**  38163.4127.5430000123.1
112P39.7Very low24.2Very low107 Ų107133.7 Ų133.770%0.69576%0.761SS**  cis-140.7-166.4-36.740.2-22000113.3
113S21.8Very low24.5Very low117 Ų117136.3 Ų136.382%0.81877%0.766SS**  trans75.1160.116089.30000117
114S21.1Very low24.7Very low87 Ų87135.6 Ų135.661%0.60876%0.758SS**  cis-155.5154-14.397.40000110.7
115D23.7Very low24.9Very low141 Ų141136 Ų13675%0.75476%0.761SS**  trans54.1167.4147-43.2-35.5000120
116T24.1Very low25.2Very low111 Ų111133 Ų13368%0.68175%0.751SS**  cis-157.1133.39.6-22.90000110.1
117H24.6Very low25.7Very low152 Ų152131.2 Ų131.270%0.70475%0.751SS**  trans52.8152.7139.4-68.2-134.7000120.3
118Q25.1Very low26.3Very low145 Ų145133.7 Ų133.768%0.67876%0.757SS**  cis-160.8-173.74.9-120.5158.3-32.400107.3
119H24.9Very low26.6Very low139 Ų139128.9 Ų128.964%0.64475%0.745SS**  cis-135.9-107.68.7-145.2-76.5000112.5
120E27.3Very low27Very low177 Ų177130.5 Ų130.583%0.82775%0.749SS**  trans-142.6158.7-167.8-65163.3123.600114.6
121G22.3Very low27.5Very low73 Ų73129.5 Ų129.575%0.75375%0.749SS**  trans170.187.8162.900000116.9
122H25.1Very low28.5Very low181 Ų181130.6 Ų130.684%0.83875%0.745SS**  trans66124.1161.2-110.9-87000120.6
123I28.7Very low28.3Very low157 Ų157137.2 Ų137.281%0.80576%0.756SS**  trans-131.8120.7162.7-60.8175.9000109.4
124P27.5Very low29.1Very low103 Ų103138.3 Ų138.367%0.66975%0.751SS**  trans-99.3128.1159.61.918.6000111.5
125N26.8Very low29.9Very low159 Ų159141.7 Ų141.785%0.8576%0.756SS**  trans36.482.7153.3-62.8-15.4000119V127N125-V127 PolarHBondContact O-N 3.1Å
126A30.6Very low31.4Very low80 Ų80143 Ų14366%0.66176%0.762SS**  trans-92.686.8162.100000111.3
127V35.8Very low32.9Very low133 Ų133141.2 Ų141.281%0.80675%0.751SS**  trans-117.766.9164.5-172.30000108.5N125N125-V127 PolarHBondContact O-N 3.1Å
128D34.8Very low34.9Very low147 Ų147135.9 Ų135.979%0.78673%0.728SS**SBendtrans-168.53.7163.5-107.8-20.9000115.9C130D128-C130 PolarHBondContact O-N 3.15Å
129S32.8Very low37.1Very low92 Ų92132.6 Ų132.664%0.64372%0.718SS**G310 helixtrans-82.6-2.1-171.662.90000116.3
130C30.1Very low39.5Very low130 Ų130127.4 Ų127.488%0.87870%0.699SS**G310 helixtrans-83.6-10.8-170.5-144.50000114.8D128D128-C130 PolarHBondContact O-N 3.15Å
131L32Very low41.8Very low161 Ų161124.1 Ų124.184%0.84369%0.688SS**G310 helixtrans-89.4-13.9178.4-74.6171.7000114.3R133L131-R133 PolarHBondContact O-N 3Å
132Q39.8Very low44.2Very low151 Ų151121.3 Ų121.371%0.70666%0.655SS**THydrogen-bonded Turntrans-9220.5-161.1-137.2178.824.400116.2
133R35.1Very low46.3Very low245 Ų245116.1 Ų116.193%0.92563%0.634SS**THydrogen-bonded Turntrans-140.928.4-172.7-98.9-166.9165.7-168-6118.5L131L131-R133 PolarHBondContact O-N 3Å
134I39.9Very low47.8Very low141 Ų141110.4 Ų110.472%0.72361%0.608SS**SBendtrans-118.5-31.7173.4-54.3-177.6000113.4
135F37.9Very low49.3Very low158 Ų158112.9 Ų112.969%0.69362%0.615SS**  trans-121.5104.1-179.7-58.3-73.6000111.1T137 V138F135-T137 VanDerWaalsContact C-N 3.31Å; F135-V138 HydrophobicContact CB-CG2 4.19Å
136L54.6Low51Low169 Ų169109.8 Ų109.889%0.88560%0.598SS**SBendtrans-73.9-21.3-180-78.2165.3000113.5
137T54.9Low52.8Low73 Ų73107.5 Ų107.545%0.44857%0.573SS.*  trans-153.4141.1170.241.50000110.5F135 G176F135-T137 VanDerWaalsContact C-N 3.31Å; T137-G176 CarbonylContact C-O 3.56Å; T137-G176 VanDerWaalsContact CA-O 3.23Å; T137-G176 WeakPolarHBondContact CA-O 3.39Å
138V66.8Low54.5Low39 Ų39103.3 Ų103.324%0.23655%0.55CS..EExtended strand (participates in β ladder)trans-118138175.8177.10000108.2F135 C175 G176 F178 I181F135-V138 HydrophobicContact CB-CG2 4.19Å; V138-C175 VanDerWaalsContact O-CA 3.32Å; V138-C175 WeakPolarHBondContact O-CA 3.47Å; V138-G176 PolarHBondContact N-O 3.07Å; V138-G176 PolarHBondContact O-N 2.61Å; V138-F178 HydrophobicContact CG2-CB 4.36Å; V138-F178 HydrophobicContact CG2-CD2 4.33Å; V138-I181 HydrophobicContact CB-CG1 4.19Å; V138-I181 HydrophobicContact CG1-CG1 4.31Å; V138-I181 HydrophobicContact CG1-CG2 4.28Å
139T72Confident56.1Low76 Ų76101.9 Ų101.947%0.46654%0.537SS..EExtended strand (participates in β ladder)trans-114.8126.1176.5-52.60000109.5K173 V174 C175T139-K173 HydrophobicContact CG2-CB 4.33Å; T139-V174 CarbonylContact C-O 3.6Å; T139-V174 WeakPolarHBondContact CA-O 3.29Å; T139-C175 HydrophobicContact CG2-CB 4.23Å; T139-C175 PolarHBondContact OG1-SG 2.99Å
140A74.4Confident57.8Low30 Ų30104.2 Ų104.225%0.24854%0.537CS..EExtended strand (participates in β ladder)trans-114137.4177.300000110.6K173 V174 I181A140-K173 WeakPolarHBondContact O-CA 3.42Å; A140-V174 HydrophobicContact CB-CG2 4.25Å; A140-V174 PolarHBondContact N-O 2.82Å; A140-V174 PolarHBondContact O-N 2.63Å; A140-I181 HydrophobicContact CB-CD1 3.96Å; A140-I181 HydrophobicContact CB-CG2 4.14Å
141D75.3Confident59.6Low108 Ų108101 Ų10158%0.57851%0.509SS*.EExtended strand (participates in β ladder)trans-92.2121.4176.1-72.81000109.3K173D141-K173 WeakPolarHBondContact OD1-CD 3.32Å; D141-K173 VanDerWaalsContact OD1-CG 3.31Å; D141-K173 WeakPolarHBondContact OD1-CG 3.42Å; D141-K173 IonicContact OD1-NZ 3.92Å; D141-K173 PolarHBondContact OD1-NZ 2.72Å; D141-K173 IonicContact OD2-NZ 2.6Å; D141-K173 PolarHBondContact OD2-NZ 3.5Å
142L72.7Confident61.4Low14 Ų1493.7 Ų93.77%0.07347%0.471CS..  trans-85.9116.3178.7-60.9-180000109.4C144 R152 I155 I171 E172 V174 L188L142-C144 PolarHBondContact O-N 2.98Å; L142-C144 PolarHBondContact O-SG 3.41Å; L142-R152 HydrophobicContact CD1-CG 4.3Å; L142-I155 HydrophobicContact CD1-CD1 3.46Å; L142-I155 VanDerWaalsContact CD1-CD1 3.46Å; L142-I155 HydrophobicContact CD2-CD1 4.02Å; L142-I155 HydrophobicContact CG-CD1 4.42Å; L142-I171 HydrophobicContact CD1-CG2 3.95Å; L142-E172 PolarHBondContact N-O 2.83Å; L142-V174 HydrophobicContact CD1-CG1 3.92Å; L142-V174 HydrophobicContact CD2-CG2 4.26Å; L142-V174 HydrophobicContact CG-CG2 4.35Å; L142-L188 HydrophobicContact CD2-CD1 3.93Å
143N70.3Confident62.8Low73 Ų7389 Ų8939%0.3946%0.457SS..  trans-67.4102.1-179.7-171.7-14.5000110.9N145 L146 F147N143-N145 PolarHBondContact O-N 3Å; N143-N145 VanDerWaalsContact O-N 3.15Å; N143-N145 WeakPolarHBondContact OD1-CB 3.46Å; N143-N145 PolarHBondContact OD1-N 2.87Å; N143-N145 VanDerWaalsContact OD1-N 3.16Å; N143-L146 HydrophobicContact CB-CB 4.3Å; N143-L146 HydrophobicContact CB-CD1 4.05Å; N143-L146 HydrophobicContact CB-CG 4.22Å; N143-L146 VanDerWaalsContact ND2-CD1 3.31Å; N143-L146 WeakPolarHBondContact ND2-CD1 3.43Å; N143-L146 PolarHBondContact O-N 2.82Å; N143-F147 WeakPolarHBondContact O-CD2 3.35Å; N143-F147 PolarHBondContact O-N 2.95Å
144C59.4Low64.5Low37 Ų3782.9 Ų82.925%0.2544%0.435CS..THydrogen-bonded Turntrans-68.2-13.4-174.4-63.70000113.9L142 R152L142-C144 PolarHBondContact O-N 2.98Å; L142-C144 PolarHBondContact O-SG 3.41Å; C144-R152 PolarHBondContact SG-NH1 3.07Å
145N59.5Low66.1Low155 Ų15576.2 Ų76.283%0.82940%0.401SS*.THydrogen-bonded Turntrans-84.6-14.1173.2-57.1-48.5000113N143N143-N145 PolarHBondContact O-N 3Å; N143-N145 VanDerWaalsContact O-N 3.15Å; N143-N145 WeakPolarHBondContact OD1-CB 3.46Å; N143-N145 PolarHBondContact OD1-N 2.87Å; N143-N145 VanDerWaalsContact OD1-N 3.16Å
146L61.3Low67.4Low94 Ų9471.1 Ų71.149%0.49238%0.383SS..THydrogen-bonded Turntrans-106.8-23.6-177.9-64.9179.5000113.5N143 F192N143-L146 HydrophobicContact CB-CB 4.3Å; N143-L146 HydrophobicContact CB-CD1 4.05Å; N143-L146 HydrophobicContact CB-CG 4.22Å; N143-L146 VanDerWaalsContact ND2-CD1 3.31Å; N143-L146 WeakPolarHBondContact ND2-CD1 3.43Å; N143-L146 PolarHBondContact O-N 2.82Å; L146-F192 HydrophobicContact CB-CE2 4.49Å; L146-F192 HydrophobicContact CD2-CZ 4.46Å
147F68.4Low68.2Low31 Ų3167.7 Ų67.714%0.13637%0.369CS..SBendtrans-123.4130.3-173.3-55.4-64.2000112.6N143 R152 L188 F192N143-F147 WeakPolarHBondContact O-CD2 3.35Å; N143-F147 PolarHBondContact O-N 2.95Å; F147-R152 HydrophobicContact CB-CG 3.69Å; F147-R152 PolarHBondContact O-NE 3.13Å; F147-L188 HydrophobicContact CD1-CD2 3.89Å; F147-L188 HydrophobicContact CE1-CB 3.95Å; F147-L188 HydrophobicContact CE1-CD1 4.49Å; F147-L188 HydrophobicContact CE1-CD2 3.92Å; F147-L188 HydrophobicContact CE1-CG 4.33Å; F147-L188 HydrophobicContact CE2-CD1 4.18Å; F147-L188 HydrophobicContact CG-CD2 4.33Å; F147-L188 HydrophobicContact CZ-CB 3.98Å; F147-L188 HydrophobicContact CZ-CD1 4.14Å; F147-L188 HydrophobicContact CZ-CD2 4.39Å; F147-L188 HydrophobicContact CZ-CG 4.4Å; F147-F192 HydrophobicContact CE1-CD2 4.19Å; F147-F192 HydrophobicContact CE1-CE2 4.41Å
148S71.7Confident69.1Low45 Ų4567.2 Ų67.232%0.31536%0.363SS..  trans-64.3164.6-179.793.20000112.5E150 Q151 R152S148-E150 VanDerWaalsContact C-N 3.29Å; S148-E150 VanDerWaalsContact CB-OE2 3.24Å; S148-E150 WeakPolarHBondContact CB-OE2 3.41Å; S148-E150 PolarHBondContact O-N 3.47Å; S148-E150 PolarHBondContact OG-N 3.17Å; S148-E150 PolarHBondContact OG-OE2 2.84Å; S148-Q151 PolarHBondContact O-N 3.45Å; S148-Q151 PolarHBondContact OG-N 3.49Å; S148-Q151 VanDerWaalsContact OG-N 3.08Å; S148-R152 WeakPolarHBondContact O-CG 3.28Å; S148-R152 PolarHBondContact O-N 3.08Å
149K68.4Low69.4Low118 Ų11865.5 Ų65.551%0.51335%0.353SS..Hα-helixtrans-65.9-32.2176.1-70.6-176.9-179.7-179.90111.5A153 D169K149-A153 VanDerWaalsContact O-CB 3.32Å; K149-A153 WeakPolarHBondContact O-CB 3.17Å; K149-A153 PolarHBondContact O-N 3.45Å; K149-D169 VanDerWaalsContact CE-O 3.28Å; K149-D169 WeakPolarHBondContact CE-O 3.46Å; K149-D169 WeakPolarHBondContact CE-OD1 3.25Å; K149-D169 IonicContact NZ-OD1 3.08Å; K149-D169 PolarHBondContact NZ-OD1 2.92Å
150E68.3Low69.2Low141 Ų14167.1 Ų67.166%0.65937%0.365SS*.Hα-helixtrans-69.2-46.4172.9-5282.7-175.400112.2S148 R152 A153 Y154S148-E150 VanDerWaalsContact C-N 3.29Å; S148-E150 VanDerWaalsContact CB-OE2 3.24Å; S148-E150 WeakPolarHBondContact CB-OE2 3.41Å; S148-E150 PolarHBondContact O-N 3.47Å; S148-E150 PolarHBondContact OG-N 3.17Å; S148-E150 PolarHBondContact OG-OE2 2.84Å; E150-R152 VanDerWaalsContact C-N 3.32Å; E150-R152 PolarHBondContact O-N 2.89Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 3.05Å; E150-A153 VanDerWaalsContact O-N 3.14Å; E150-Y154 PolarHBondContact O-N 2.94Å
151Q67.9Low68.7Low62 Ų6269.7 Ų69.729%0.2938%0.381SS..Hα-helixtrans-59.4-43.8178.4-72.5173.9-34.300111.4S148 Y154S148-Q151 PolarHBondContact O-N 3.45Å; S148-Q151 PolarHBondContact OG-N 3.49Å; S148-Q151 VanDerWaalsContact OG-N 3.08Å; Q151-Y154 PolarHBondContact O-N 3.34Å
152R71.5Confident68.8Low8 Ų865.3 Ų65.33%0.0336%0.357CS..Hα-helixtrans-70.5-30.2176.9-68-172.9-78.1127.2-3.4112.7L142 C144 F147 S148 E150 I155 D169 I171L142-R152 HydrophobicContact CD1-CG 4.3Å; C144-R152 PolarHBondContact SG-NH1 3.07Å; F147-R152 HydrophobicContact CB-CG 3.69Å; F147-R152 PolarHBondContact O-NE 3.13Å; S148-R152 WeakPolarHBondContact O-CG 3.28Å; S148-R152 PolarHBondContact O-N 3.08Å; E150-R152 VanDerWaalsContact C-N 3.32Å; E150-R152 PolarHBondContact O-N 2.89Å; R152-I155 WeakPolarHBondContact O-CB 3.41Å; R152-D169 VanDerWaalsContact CZ-O 3.31Å; R152-D169 PolarHBondContact NH1-O 2.76Å; R152-D169 PolarHBondContact NH2-O 3.3Å; R152-I171 WeakPolarHBondContact CD-O 3.36Å; R152-I171 PolarHBondContact NH1-O 2.86Å; R152-I171 WeakPolarHBondContact O-CD1 3.31Å
153A67.6Low68.9Low51 Ų5172.4 Ų72.442%0.42138%0.383SS..Hα-helixtrans-67-40.4172.400000112.4K149 E150 I155 T156K149-A153 VanDerWaalsContact O-CB 3.32Å; K149-A153 WeakPolarHBondContact O-CB 3.17Å; K149-A153 PolarHBondContact O-N 3.45Å; E150-A153 WeakPolarHBondContact O-CB 3.36Å; E150-A153 PolarHBondContact O-N 3.05Å; E150-A153 VanDerWaalsContact O-N 3.14Å; A153-I155 PolarHBondContact O-N 2.7Å; A153-I155 VanDerWaalsContact O-N 3.16Å; A153-T156 VanDerWaalsContact O-CB 3.27Å; A153-T156 WeakPolarHBondContact O-CB 3.42Å; A153-T156 PolarHBondContact O-N 3.39Å; A153-T156 PolarHBondContact O-OG1 2.62Å
154Y71.4Confident69.3Low118 Ų11873.3 Ų73.346%0.46338%0.384SS..Hα-helixtrans-60.9-24.3-178.6-164.7-99.2000113.8E150 Q151 T156 T157 L158 F187E150-Y154 PolarHBondContact O-N 2.94Å; Q151-Y154 PolarHBondContact O-N 3.34Å; Y154-T156 PolarHBondContact O-N 2.63Å; Y154-T157 HydrophobicContact CE2-CG2 4.47Å; Y154-T157 WeakPolarHBondContact O-CA 3.42Å; Y154-T157 VanDerWaalsContact O-CB 3.31Å; Y154-T157 WeakPolarHBondContact O-CB 3.45Å; Y154-T157 PolarHBondContact O-N 3.14Å; Y154-L158 HydrophobicContact CE1-CD1 4Å; Y154-L158 PolarHBondContact O-N 2.8Å; Y154-F187 AromaticContact CD1-CE1 3.93Å; Y154-F187 HydrophobicContact CD1-CE1 3.93Å; Y154-F187 AromaticContact CD1-CE2 3.96Å; Y154-F187 HydrophobicContact CD1-CE2 3.96Å; Y154-F187 AromaticContact CD1-CZ 3.44Å; Y154-F187 HydrophobicContact CD1-CZ 3.44Å; Y154-F187 VanDerWaalsContact CD1-CZ 3.44Å; Y154-F187 AromaticContact CE1-CE2 3.93Å; Y154-F187 HydrophobicContact CE1-CE2 3.93Å; Y154-F187 AromaticContact CE1-CZ 3.9Å; Y154-F187 HydrophobicContact CE1-CZ 3.9Å; Y154-F187 HydrophobicContact CG-CZ 4.36Å
155I73.6Confident69.9Low1 Ų176.8 Ų76.81%0.00540%0.397CS..Hα-helixtrans-55.4-33.4171.1-64.2170.7000111.8L142 R152 A153 T157 L158 C159 V174 I184 L188L142-I155 HydrophobicContact CD1-CD1 3.46Å; L142-I155 VanDerWaalsContact CD1-CD1 3.46Å; L142-I155 HydrophobicContact CD2-CD1 4.02Å; L142-I155 HydrophobicContact CG-CD1 4.42Å; R152-I155 WeakPolarHBondContact O-CB 3.41Å; A153-I155 PolarHBondContact O-N 2.7Å; A153-I155 VanDerWaalsContact O-N 3.16Å; I155-T157 VanDerWaalsContact C-N 3.27Å; I155-T157 PolarHBondContact O-N 3.17Å; I155-L158 PolarHBondContact O-N 3.17Å; I155-C159 PolarHBondContact O-N 3.32Å; I155-V174 HydrophobicContact CG2-CG1 4.23Å; I155-I184 HydrophobicContact CD1-CG2 4Å; I155-I184 HydrophobicContact CG1-CG2 4.18Å; I155-I184 HydrophobicContact CG2-CD1 3.56Å; I155-I184 HydrophobicContact CG2-CG1 3.89Å; I155-I184 HydrophobicContact CG2-CG2 4.23Å; I155-L188 HydrophobicContact CD1-CD1 4.21Å; I155-L188 HydrophobicContact CD1-CD2 4.48Å
156T64.7Low70.5Confident50 Ų5076.4 Ų76.431%0.30739%0.391SS..Hα-helixtrans-64.7-32.8175.2-510000111.8A153 Y154 K164A153-T156 VanDerWaalsContact O-CB 3.27Å; A153-T156 WeakPolarHBondContact O-CB 3.42Å; A153-T156 PolarHBondContact O-N 3.39Å; A153-T156 PolarHBondContact O-OG1 2.62Å; Y154-T156 PolarHBondContact O-N 2.63Å; T156-K164 VanDerWaalsContact CG2-NZ 3.29Å; T156-K164 PolarHBondContact OG1-NZ 3.08Å
157T73.1Confident70.8Confident97 Ų9773.4 Ų73.460%0.59538%0.383SS*.Hα-helixtrans-77.8-36.7177-47.70000111.2Y154 I155Y154-T157 HydrophobicContact CE2-CG2 4.47Å; Y154-T157 WeakPolarHBondContact O-CA 3.42Å; Y154-T157 VanDerWaalsContact O-CB 3.31Å; Y154-T157 WeakPolarHBondContact O-CB 3.45Å; Y154-T157 PolarHBondContact O-N 3.14Å; I155-T157 VanDerWaalsContact C-N 3.27Å; I155-T157 PolarHBondContact O-N 3.17Å
158L72.7Confident70.1Confident63 Ų6381.1 Ų81.133%0.3342%0.419SS..Hα-helixtrans-71-40-178.4-153.884.9000112.6Y154 I155 I184 F187Y154-L158 HydrophobicContact CE1-CD1 4Å; Y154-L158 PolarHBondContact O-N 2.8Å; I155-L158 PolarHBondContact O-N 3.17Å; L158-I184 HydrophobicContact CD2-CG1 4.44Å; L158-F187 HydrophobicContact CD1-CD2 4.36Å; L158-F187 HydrophobicContact CD1-CG 4.5Å; L158-F187 HydrophobicContact CD2-CB 3.7Å; L158-F187 HydrophobicContact CD2-CD1 4.34Å; L158-F187 HydrophobicContact CD2-CG 3.96Å
159C73.5Confident69.4Low3 Ų383 Ų832%0.0243%0.425CS..  trans-136.783.7-178.8-59.30000111.2I155 S161 I162 D180 I184I155-C159 PolarHBondContact O-N 3.32Å; C159-S161 PolarHBondContact O-N 3.23Å; C159-S161 VanDerWaalsContact O-N 3.17Å; C159-I162 HydrophobicContact CB-CB 4.29Å; C159-I162 HydrophobicContact CB-CG2 4.39Å; C159-I162 VanDerWaalsContact O-CG2 3.32Å; C159-I162 WeakPolarHBondContact O-CG2 3.34Å; C159-I162 PolarHBondContact O-N 3.4Å; C159-I162 VanDerWaalsContact O-N 3.15Å; C159-D180 HydrophobicContact CB-CB 4.38Å; C159-I184 HydrophobicContact CB-CD1 4.24Å
160P68.3Low69.4Low110 Ų11078.8 Ų78.871%0.71442%0.415SS*.THydrogen-bonded Turntrans-63.7-21.9-176.5-22.734.1000114.5I162P160-I162 VanDerWaalsContact C-N 3.27Å; P160-I162 PolarHBondContact O-N 3.07Å
161S62.7Low69.5Low85 Ų8572.7 Ų72.759%0.59439%0.387SS*.THydrogen-bonded Turntrans-68.1-17.8176.329.50000114.1C159 D180C159-S161 PolarHBondContact O-N 3.23Å; C159-S161 VanDerWaalsContact O-N 3.17Å; S161-D180 PolarHBondContact OG-OD2 2.86Å
162I78.5Confident69.6Low15 Ų1572.9 Ų72.98%0.07739%0.388CS..  trans-85.4133.2-164.7-147.7161.6000113.6C159 P160 K164 V174 C175 D180 I181 I184C159-I162 HydrophobicContact CB-CB 4.29Å; C159-I162 HydrophobicContact CB-CG2 4.39Å; C159-I162 VanDerWaalsContact O-CG2 3.32Å; C159-I162 WeakPolarHBondContact O-CG2 3.34Å; C159-I162 PolarHBondContact O-N 3.4Å; C159-I162 VanDerWaalsContact O-N 3.15Å; P160-I162 VanDerWaalsContact C-N 3.27Å; P160-I162 PolarHBondContact O-N 3.07Å; I162-K164 PolarHBondContact O-N 2.58Å; I162-V174 HydrophobicContact CD1-CB 3.94Å; I162-V174 HydrophobicContact CD1-CG2 4.22Å; I162-V174 HydrophobicContact CG1-CB 4.25Å; I162-C175 VanDerWaalsContact CG1-C 3.46Å; I162-C175 VanDerWaalsContact CG1-O 3.31Å; I162-C175 WeakPolarHBondContact CG1-O 3.34Å; I162-D180 HydrophobicContact CD1-CB 4.45Å; I162-I181 HydrophobicContact CD1-CD1 3.7Å; I162-I181 HydrophobicContact CD1-CG1 4.3Å; I162-I184 HydrophobicContact CD1-CD1 3.32Å
163R75.1Confident70Confident163 Ų16375.9 Ų75.962%0.61540%0.401SS*.EExtended strand (participates in β ladder)trans-80.2111175.4-72.6-173.9-68.2-161.8-2.3109.8V174 C175R163-V174 CarbonylContact O-C 3.52Å; R163-C175 HydrophobicContact CB-CB 4.21Å; R163-C175 PolarHBondContact N-O 3.34Å; R163-C175 WeakPolarHBondContact O-CB 3.08Å; R163-C175 PolarHBondContact O-N 3.15Å
164K76.8Confident70.5Confident92 Ų9273.5 Ų73.540%0.438%0.381SS..EExtended strand (participates in β ladder)trans-92.4143.8176.942.5178.3173.1177.10111.8T156 I162 I171 K173 V174T156-K164 VanDerWaalsContact CG2-NZ 3.29Å; T156-K164 PolarHBondContact OG1-NZ 3.08Å; I162-K164 PolarHBondContact O-N 2.58Å; K164-I171 HydrophobicContact CB-CD1 4.39Å; K164-I171 HydrophobicContact CB-CG1 4.38Å; K164-I171 HydrophobicContact CB-CG2 3.88Å; K164-I171 HydrophobicContact CD-CD1 3.58Å; K164-I171 HydrophobicContact CD-CG1 4.09Å; K164-K173 WeakPolarHBondContact CA-O 3.21Å; K164-V174 HydrophobicContact CB-CG1 4.43Å
165M73.6Confident70.6Confident110 Ų11068.7 Ų68.754%0.54237%0.365SS..EExtended strand (participates in β ladder)trans-118.2121.3171.7-50.4179.973.100108.1E172 K173M165-E172 PolarHBondContact O-N 2.83Å; M165-K173 HydrophobicContact CB-CB 4.11Å; M165-K173 HydrophobicContact CG-CB 4.39Å; M165-K173 PolarHBondContact N-O 2.96Å; M165-K173 PolarHBondContact O-N 3.21Å; M165-K173 HydrophobicContact SD-CB 4.36Å; M165-K173 HydrophobicContact SD-CD 4.21Å
166E72.3Confident70.8Confident147 Ų14769 Ų6969%0.68737%0.368SS*.EExtended strand (participates in β ladder)trans-90.5138.8179-66.2177.5-179.900110.2G170 I171E166-G170 CarbonylContact C-O 3.55Å; E166-G170 WeakPolarHBondContact CA-O 3.33Å; E166-I171 HydrophobicContact CG-CG1 4.21Å
167G65.7Low71.3Confident31 Ų3170.1 Ų70.132%0.3237%0.372SS..EExtended strand (participates in β ladder)trans-123.4-157.9167.700000110.6D169 G170 E172G167-D169 PolarHBondContact O-N 3.24Å; G167-G170 PolarHBondContact N-O 3.07Å; G167-G170 PolarHBondContact O-N 3.01Å; G167-E172 VanDerWaalsContact C-OE1 3.29Å; G167-E172 VanDerWaalsContact CA-CD 3.44Å; G167-E172 VanDerWaalsContact CA-OE1 3.31Å; G167-E172 WeakPolarHBondContact CA-OE1 3.4Å
168H54.3Low71.2Confident193 Ų19371.3 Ų71.389%0.89437%0.369SS*.THydrogen-bonded Turntrans-66.2-26.2-165.7-70.7-70.5000113.6E172H168-E172 PolarHBondContact N-OE1 3.4Å
169D57.4Low71.2Confident85 Ų8573.2 Ų73.246%0.45538%0.377SS..THydrogen-bonded Turntrans-116.829.9180-89.1-55.2000114.1K149 R152 G167K149-D169 VanDerWaalsContact CE-O 3.28Å; K149-D169 WeakPolarHBondContact CE-O 3.46Å; K149-D169 WeakPolarHBondContact CE-OD1 3.25Å; K149-D169 IonicContact NZ-OD1 3.08Å; K149-D169 PolarHBondContact NZ-OD1 2.92Å; R152-D169 VanDerWaalsContact CZ-O 3.31Å; R152-D169 PolarHBondContact NH1-O 2.76Å; R152-D169 PolarHBondContact NH2-O 3.3Å; G167-D169 PolarHBondContact O-N 3.24Å
170G68.2Low71.4Confident29 Ų2973.8 Ų73.830%0.29938%0.379SS..EExtended strand (participates in β ladder)trans106.2-148.4174.900000112.6E166 G167 E172E166-G170 CarbonylContact C-O 3.55Å; E166-G170 WeakPolarHBondContact CA-O 3.33Å; G167-G170 PolarHBondContact N-O 3.07Å; G167-G170 PolarHBondContact O-N 3.01Å; G170-E172 PolarHBondContact O-N 3.08Å
171I71Confident71.9Confident14 Ų1469.5 Ų69.57%0.07235%0.351CS..EExtended strand (participates in β ladder)trans-68.3117178.4-57.1167.9000108.7L142 R152 K164 E166 V174L142-I171 HydrophobicContact CD1-CG2 3.95Å; R152-I171 WeakPolarHBondContact CD-O 3.36Å; R152-I171 PolarHBondContact NH1-O 2.86Å; R152-I171 WeakPolarHBondContact O-CD1 3.31Å; K164-I171 HydrophobicContact CB-CD1 4.39Å; K164-I171 HydrophobicContact CB-CG1 4.38Å; K164-I171 HydrophobicContact CB-CG2 3.88Å; K164-I171 HydrophobicContact CD-CD1 3.58Å; K164-I171 HydrophobicContact CD-CG1 4.09Å; E166-I171 HydrophobicContact CG-CG1 4.21Å; I171-V174 HydrophobicContact CG2-CG1 3.77Å
172E70.4Confident72.4Confident66 Ų6670.4 Ų70.431%0.30835%0.345SS..EExtended strand (participates in β ladder)trans-107.1-24.9179.8-58-168.6178.600112.1L142 M165 G167 H168 G170L142-E172 PolarHBondContact N-O 2.83Å; M165-E172 PolarHBondContact O-N 2.83Å; G167-E172 VanDerWaalsContact C-OE1 3.29Å; G167-E172 VanDerWaalsContact CA-CD 3.44Å; G167-E172 VanDerWaalsContact CA-OE1 3.31Å; G167-E172 WeakPolarHBondContact CA-OE1 3.4Å; H168-E172 PolarHBondContact N-OE1 3.4Å; G170-E172 PolarHBondContact O-N 3.08Å
173K79.4Confident72.4Confident71 Ų7174 Ų7431%0.30936%0.36SS..EExtended strand (participates in β ladder)trans-139146.9177.9-45.6-179.7172-94.10111.4T139 A140 D141 K164 M165T139-K173 HydrophobicContact CG2-CB 4.33Å; A140-K173 WeakPolarHBondContact O-CA 3.42Å; D141-K173 WeakPolarHBondContact OD1-CD 3.32Å; D141-K173 VanDerWaalsContact OD1-CG 3.31Å; D141-K173 WeakPolarHBondContact OD1-CG 3.42Å; D141-K173 IonicContact OD1-NZ 3.92Å; D141-K173 PolarHBondContact OD1-NZ 2.72Å; D141-K173 IonicContact OD2-NZ 2.6Å; D141-K173 PolarHBondContact OD2-NZ 3.5Å; K164-K173 WeakPolarHBondContact CA-O 3.21Å; M165-K173 HydrophobicContact CB-CB 4.11Å; M165-K173 HydrophobicContact CG-CB 4.39Å; M165-K173 PolarHBondContact N-O 2.96Å; M165-K173 PolarHBondContact O-N 3.21Å; M165-K173 HydrophobicContact SD-CB 4.36Å; M165-K173 HydrophobicContact SD-CD 4.21Å
174V78.3Confident72.6Confident0 Ų066.5 Ų66.50%033%0.333CS..EExtended strand (participates in β ladder)trans-130.5137.8173.9-65.80000110.5T139 A140 L142 I155 I162 R163 K164 I171 I181 I184T139-V174 CarbonylContact C-O 3.6Å; T139-V174 WeakPolarHBondContact CA-O 3.29Å; A140-V174 HydrophobicContact CB-CG2 4.25Å; A140-V174 PolarHBondContact N-O 2.82Å; A140-V174 PolarHBondContact O-N 2.63Å; L142-V174 HydrophobicContact CD1-CG1 3.92Å; L142-V174 HydrophobicContact CD2-CG2 4.26Å; L142-V174 HydrophobicContact CG-CG2 4.35Å; I155-V174 HydrophobicContact CG2-CG1 4.23Å; I162-V174 HydrophobicContact CD1-CB 3.94Å; I162-V174 HydrophobicContact CD1-CG2 4.22Å; I162-V174 HydrophobicContact CG1-CB 4.25Å; R163-V174 CarbonylContact O-C 3.52Å; K164-V174 HydrophobicContact CB-CG1 4.43Å; I171-V174 HydrophobicContact CG2-CG1 3.77Å; V174-I181 HydrophobicContact CG2-CD1 3.94Å; V174-I184 HydrophobicContact CG2-CD1 4.33Å
175C73.3Confident72.6Confident17 Ų1768.4 Ų68.412%0.11534%0.342CS..EExtended strand (participates in β ladder)trans-132.5110.9-171.2-177.30000110V138 T139 I162 R163V138-C175 VanDerWaalsContact O-CA 3.32Å; V138-C175 WeakPolarHBondContact O-CA 3.47Å; T139-C175 HydrophobicContact CG2-CB 4.23Å; T139-C175 PolarHBondContact OG1-SG 2.99Å; I162-C175 VanDerWaalsContact CG1-C 3.46Å; I162-C175 VanDerWaalsContact CG1-O 3.31Å; I162-C175 WeakPolarHBondContact CG1-O 3.34Å; R163-C175 HydrophobicContact CB-CB 4.21Å; R163-C175 PolarHBondContact N-O 3.34Å; R163-C175 WeakPolarHBondContact O-CB 3.08Å; R163-C175 PolarHBondContact O-N 3.15Å
176G77Confident72.7Confident8 Ų868.4 Ų68.48%0.08234%0.341CS..EExtended strand (participates in β ladder)trans-145.6-169.1-175.100000111.8T137 V138T137-G176 CarbonylContact C-O 3.56Å; T137-G176 VanDerWaalsContact CA-O 3.23Å; T137-G176 WeakPolarHBondContact CA-O 3.39Å; V138-G176 PolarHBondContact N-O 3.07Å; V138-G176 PolarHBondContact O-N 2.61Å
177D74.7Confident72.9Confident73 Ų7363.2 Ų63.239%0.3932%0.316SS..  trans-71.7170.6162.267.253.1000110.8Q179 D180 I181D177-Q179 VanDerWaalsContact C-N 3.27Å; D177-Q179 PolarHBondContact O-N 2.89Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.33Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.43Å; D177-Q179 PolarHBondContact OD1-N 2.97Å; D177-D180 PolarHBondContact OD1-N 3.44Å; D177-I181 VanDerWaalsContact O-CG1 3.3Å; D177-I181 WeakPolarHBondContact O-CG1 3.49Å; D177-I181 PolarHBondContact O-N 2.97Å
178F72.8Confident73.2Confident122 Ų12262.4 Ų62.454%0.53531%0.305SS..Hα-helixtrans-61.6-35.6-178.5-177.2-90.5000112.6V138 I181 E182V138-F178 HydrophobicContact CG2-CB 4.36Å; V138-F178 HydrophobicContact CG2-CD2 4.33Å; F178-I181 PolarHBondContact O-N 3.18Å; F178-E182 HydrophobicContact CE1-CB 4.39Å; F178-E182 VanDerWaalsContact O-CB 3.29Å; F178-E182 WeakPolarHBondContact O-CB 3.43Å; F178-E182 PolarHBondContact O-N 2.91Å
179Q72.1Confident74Confident103 Ų10355.3 Ų55.348%0.48128%0.277SS..Hα-helixtrans-75.9-34.3-173.1-160.6173.51200111.6D177 K183D177-Q179 VanDerWaalsContact C-N 3.27Å; D177-Q179 PolarHBondContact O-N 2.89Å; D177-Q179 WeakPolarHBondContact OD1-CA 3.33Å; D177-Q179 WeakPolarHBondContact OD1-CB 3.43Å; D177-Q179 PolarHBondContact OD1-N 2.97Å; Q179-K183 WeakPolarHBondContact O-CE 3.33Å; Q179-K183 VanDerWaalsContact O-CG 3.26Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.66Å; Q179-K183 VanDerWaalsContact O-N 3.14Å
180D76.6Confident74.7Confident15 Ų1555.9 Ų55.98%0.0828%0.277CS..Hα-helixtrans-70.9-37.8170.7-78.8-7.9000112.2C159 S161 I162 D177 K183 I184C159-D180 HydrophobicContact CB-CB 4.38Å; S161-D180 PolarHBondContact OG-OD2 2.86Å; I162-D180 HydrophobicContact CD1-CB 4.45Å; D177-D180 PolarHBondContact OD1-N 3.44Å; D180-K183 IonicContact OD1-NZ 2.73Å; D180-K183 PolarHBondContact OD1-NZ 2.77Å; D180-I184 WeakPolarHBondContact O-CD1 3.15Å; D180-I184 VanDerWaalsContact O-CG1 3.31Å; D180-I184 WeakPolarHBondContact O-CG1 3.38Å; D180-I184 PolarHBondContact O-N 3.4Å
181I78.5Confident74.5Confident21 Ų2157.5 Ų57.511%0.10828%0.276CS..Hα-helixtrans-65.4-39.1173.6-66.3-74.3000111.4V138 A140 I162 V174 D177 F178 I184 H185V138-I181 HydrophobicContact CB-CG1 4.19Å; V138-I181 HydrophobicContact CG1-CG1 4.31Å; V138-I181 HydrophobicContact CG1-CG2 4.28Å; A140-I181 HydrophobicContact CB-CD1 3.96Å; A140-I181 HydrophobicContact CB-CG2 4.14Å; I162-I181 HydrophobicContact CD1-CD1 3.7Å; I162-I181 HydrophobicContact CD1-CG1 4.3Å; V174-I181 HydrophobicContact CG2-CD1 3.94Å; D177-I181 VanDerWaalsContact O-CG1 3.3Å; D177-I181 WeakPolarHBondContact O-CG1 3.49Å; D177-I181 PolarHBondContact O-N 2.97Å; F178-I181 PolarHBondContact O-N 3.18Å; I181-I184 PolarHBondContact O-N 3.22Å; I181-H185 PolarHBondContact O-N 2.89Å
182E74.2Confident73.8Confident103 Ų10360.8 Ų60.848%0.48129%0.29SS..Hα-helixtrans-65-43.6177.6-174.2169.5-120.100112.2F178 I184 H185 Q186F178-E182 HydrophobicContact CE1-CB 4.39Å; F178-E182 VanDerWaalsContact O-CB 3.29Å; F178-E182 WeakPolarHBondContact O-CB 3.43Å; F178-E182 PolarHBondContact O-N 2.91Å; E182-I184 VanDerWaalsContact C-N 3.3Å; E182-I184 PolarHBondContact O-N 2.91Å; E182-H185 PolarHBondContact O-N 3.3Å; E182-Q186 PolarHBondContact O-N 3.05Å
183K79.1Confident73Confident91 Ų9163 Ų6340%0.39630%0.304SS..Hα-helixtrans-56.5-43.2172.1-70.2164.8-155.2159.90112.2Q179 D180 Q186 F187Q179-K183 WeakPolarHBondContact O-CE 3.33Å; Q179-K183 VanDerWaalsContact O-CG 3.26Å; Q179-K183 WeakPolarHBondContact O-CG 3.47Å; Q179-K183 PolarHBondContact O-N 2.66Å; Q179-K183 VanDerWaalsContact O-N 3.14Å; D180-K183 IonicContact OD1-NZ 2.73Å; D180-K183 PolarHBondContact OD1-NZ 2.77Å; K183-Q186 PolarHBondContact O-N 3.48Å; K183-F187 WeakPolarHBondContact O-CB 3.32Å; K183-F187 PolarHBondContact O-N 2.98Å
184I77.9Confident71.5Confident6 Ų664 Ų643%0.03131%0.31CS..Hα-helixtrans-66-42.8178.4-67.5164.1000110.5I155 L158 C159 I162 V174 D180 I181 E182 F187 L188I155-I184 HydrophobicContact CD1-CG2 4Å; I155-I184 HydrophobicContact CG1-CG2 4.18Å; I155-I184 HydrophobicContact CG2-CD1 3.56Å; I155-I184 HydrophobicContact CG2-CG1 3.89Å; I155-I184 HydrophobicContact CG2-CG2 4.23Å; L158-I184 HydrophobicContact CD2-CG1 4.44Å; C159-I184 HydrophobicContact CB-CD1 4.24Å; I162-I184 HydrophobicContact CD1-CD1 3.32Å; V174-I184 HydrophobicContact CG2-CD1 4.33Å; D180-I184 WeakPolarHBondContact O-CD1 3.15Å; D180-I184 VanDerWaalsContact O-CG1 3.31Å; D180-I184 WeakPolarHBondContact O-CG1 3.38Å; D180-I184 PolarHBondContact O-N 3.4Å; I181-I184 PolarHBondContact O-N 3.22Å; E182-I184 VanDerWaalsContact C-N 3.3Å; E182-I184 PolarHBondContact O-N 2.91Å; I184-F187 PolarHBondContact O-N 2.99Å; I184-L188 HydrophobicContact CG2-CD1 3.85Å; I184-L188 HydrophobicContact CG2-CG 4.39Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.24Å; I184-L188 PolarHBondContact O-N 3.23Å
185H77.9Confident70.1Confident131 Ų13166.5 Ų66.561%0.60633%0.327SS*.Hα-helixtrans-61.4-44.9176180-86.1000111.8I181 E182 L188 S189I181-H185 PolarHBondContact O-N 2.89Å; E182-H185 PolarHBondContact O-N 3.3Å; H185-L188 PolarHBondContact O-N 3.08Å; H185-S189 PolarHBondContact CE1-OG 3.47Å; H185-S189 WeakPolarHBondContact O-CB 3.46Å; H185-S189 PolarHBondContact O-N 2.98Å; H185-S189 PolarHBondContact O-OG 3.11Å
186Q75.9Confident68.7Low110 Ų11071.2 Ų71.251%0.51435%0.347SS..Hα-helixtrans-61.5-50.9177.3-178.2173.9-6.100111.3E182 K183 L188 S189 E190E182-Q186 PolarHBondContact O-N 3.05Å; K183-Q186 PolarHBondContact O-N 3.48Å; Q186-L188 PolarHBondContact O-N 3.16Å; Q186-S189 WeakPolarHBondContact O-CB 3.5Å; Q186-S189 PolarHBondContact O-N 3.1Å; Q186-S189 VanDerWaalsContact O-N 3.1Å; Q186-E190 HydrophobicContact CG-CG 4.41Å; Q186-E190 VanDerWaalsContact CG-OE1 3.26Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.4Å; Q186-E190 PolarHBondContact NE2-OE1 2.91Å; Q186-E190 WeakPolarHBondContact O-CG 3.47Å; Q186-E190 PolarHBondContact O-N 2.92Å
187F77.1Confident66.9Low38 Ų3880.8 Ų80.817%0.16738%0.381CS..Hα-helixtrans-55.5-46.9177.8170.4-102.8000112.6Y154 L158 K183 I184 S189 E190 Q191Y154-F187 AromaticContact CD1-CE1 3.93Å; Y154-F187 HydrophobicContact CD1-CE1 3.93Å; Y154-F187 AromaticContact CD1-CE2 3.96Å; Y154-F187 HydrophobicContact CD1-CE2 3.96Å; Y154-F187 AromaticContact CD1-CZ 3.44Å; Y154-F187 HydrophobicContact CD1-CZ 3.44Å; Y154-F187 VanDerWaalsContact CD1-CZ 3.44Å; Y154-F187 AromaticContact CE1-CE2 3.93Å; Y154-F187 HydrophobicContact CE1-CE2 3.93Å; Y154-F187 AromaticContact CE1-CZ 3.9Å; Y154-F187 HydrophobicContact CE1-CZ 3.9Å; Y154-F187 HydrophobicContact CG-CZ 4.36Å; L158-F187 HydrophobicContact CD1-CD2 4.36Å; L158-F187 HydrophobicContact CD1-CG 4.5Å; L158-F187 HydrophobicContact CD2-CB 3.7Å; L158-F187 HydrophobicContact CD2-CD1 4.34Å; L158-F187 HydrophobicContact CD2-CG 3.96Å; K183-F187 WeakPolarHBondContact O-CB 3.32Å; K183-F187 PolarHBondContact O-N 2.98Å; I184-F187 PolarHBondContact O-N 2.99Å; F187-S189 VanDerWaalsContact C-N 3.31Å; F187-S189 PolarHBondContact O-N 3.44Å; F187-E190 PolarHBondContact O-N 2.79Å; F187-Q191 HydrophobicContact CD2-CG 4.49Å; F187-Q191 HydrophobicContact CE1-CG 4.41Å; F187-Q191 HydrophobicContact CE2-CG 4.06Å; F187-Q191 HydrophobicContact CZ-CG 4.01Å; F187-Q191 WeakPolarHBondContact O-CG 3.1Å; F187-Q191 PolarHBondContact O-N 3.29Å; F187-Q191 VanDerWaalsContact O-N 3.11Å
188L71.9Confident65.4Low14 Ų1483.7 Ų83.77%0.07339%0.39CS..Hα-helixtrans-68.1-31179.2-67.3174.9000112.5L142 F147 I155 I184 H185 Q186 F192L142-L188 HydrophobicContact CD2-CD1 3.93Å; F147-L188 HydrophobicContact CD1-CD2 3.89Å; F147-L188 HydrophobicContact CE1-CB 3.95Å; F147-L188 HydrophobicContact CE1-CD1 4.49Å; F147-L188 HydrophobicContact CE1-CD2 3.92Å; F147-L188 HydrophobicContact CE1-CG 4.33Å; F147-L188 HydrophobicContact CE2-CD1 4.18Å; F147-L188 HydrophobicContact CG-CD2 4.33Å; F147-L188 HydrophobicContact CZ-CB 3.98Å; F147-L188 HydrophobicContact CZ-CD1 4.14Å; F147-L188 HydrophobicContact CZ-CD2 4.39Å; F147-L188 HydrophobicContact CZ-CG 4.4Å; I155-L188 HydrophobicContact CD1-CD1 4.21Å; I155-L188 HydrophobicContact CD1-CD2 4.48Å; I184-L188 HydrophobicContact CG2-CD1 3.85Å; I184-L188 HydrophobicContact CG2-CG 4.39Å; I184-L188 WeakPolarHBondContact O-CB 3.43Å; I184-L188 VanDerWaalsContact O-CG 3.28Å; I184-L188 WeakPolarHBondContact O-CG 3.24Å; I184-L188 PolarHBondContact O-N 3.23Å; H185-L188 PolarHBondContact O-N 3.08Å; Q186-L188 PolarHBondContact O-N 3.16Å; L188-F192 PolarHBondContact O-N 3Å
189S70.6Confident63.6Low44 Ų4486 Ų8631%0.30840%0.403SS..Hα-helixtrans-72-42176.5-58.40000112.2H185 Q186 F187 F192 L193H185-S189 PolarHBondContact CE1-OG 3.47Å; H185-S189 WeakPolarHBondContact O-CB 3.46Å; H185-S189 PolarHBondContact O-N 2.98Å; H185-S189 PolarHBondContact O-OG 3.11Å; Q186-S189 WeakPolarHBondContact O-CB 3.5Å; Q186-S189 PolarHBondContact O-N 3.1Å; Q186-S189 VanDerWaalsContact O-N 3.1Å; F187-S189 VanDerWaalsContact C-N 3.31Å; F187-S189 PolarHBondContact O-N 3.44Å; S189-F192 WeakPolarHBondContact O-CB 3.48Å; S189-F192 PolarHBondContact O-N 3.15Å; S189-F192 VanDerWaalsContact O-N 3.17Å; S189-L193 PolarHBondContact O-N 2.69Å
190E72.1Confident61.7Low97 Ų9789 Ų8945%0.45342%0.417SS..Hα-helixtrans-64.6-39.4176.3-72.1172.3-175.300111.6Q186 F187 F192 L193 E194Q186-E190 HydrophobicContact CG-CG 4.41Å; Q186-E190 VanDerWaalsContact CG-OE1 3.26Å; Q186-E190 WeakPolarHBondContact CG-OE1 3.4Å; Q186-E190 PolarHBondContact NE2-OE1 2.91Å; Q186-E190 WeakPolarHBondContact O-CG 3.47Å; Q186-E190 PolarHBondContact O-N 2.92Å; F187-E190 PolarHBondContact O-N 2.79Å; E190-F192 VanDerWaalsContact C-N 3.28Å; E190-F192 PolarHBondContact O-N 3.22Å; E190-L193 PolarHBondContact O-N 2.9Å; E190-E194 PolarHBondContact O-N 3.01Å
191Q64.6Low59.3Low63 Ų6396.3 Ų96.329%0.29445%0.448SS..Hα-helixtrans-64.4-31173-70.4-62.3-66.100113F187 S195F187-Q191 HydrophobicContact CD2-CG 4.49Å; F187-Q191 HydrophobicContact CE1-CG 4.41Å; F187-Q191 HydrophobicContact CE2-CG 4.06Å; F187-Q191 HydrophobicContact CZ-CG 4.01Å; F187-Q191 WeakPolarHBondContact O-CG 3.1Å; F187-Q191 PolarHBondContact O-N 3.29Å; F187-Q191 VanDerWaalsContact O-N 3.11Å; Q191-S195 WeakPolarHBondContact O-CB 3.31Å; Q191-S195 PolarHBondContact O-N 3.4Å; Q191-S195 VanDerWaalsContact O-N 3.07Å
192F54.7Low56.7Low83 Ų83100.8 Ų100.836%0.36448%0.481SS..Hα-helixtrans-65.7-48174.2-131.9-90.1000111L146 F147 L188 S189 E190 E194 S195 E196L146-F192 HydrophobicContact CB-CE2 4.49Å; L146-F192 HydrophobicContact CD2-CZ 4.46Å; F147-F192 HydrophobicContact CE1-CD2 4.19Å; F147-F192 HydrophobicContact CE1-CE2 4.41Å; L188-F192 PolarHBondContact O-N 3Å; S189-F192 WeakPolarHBondContact O-CB 3.48Å; S189-F192 PolarHBondContact O-N 3.15Å; S189-F192 VanDerWaalsContact O-N 3.17Å; E190-F192 VanDerWaalsContact C-N 3.28Å; E190-F192 PolarHBondContact O-N 3.22Å; F192-E194 VanDerWaalsContact C-N 3.33Å; F192-E194 PolarHBondContact O-N 3.16Å; F192-S195 WeakPolarHBondContact O-CB 3.42Å; F192-S195 PolarHBondContact O-N 3.39Å; F192-S195 PolarHBondContact O-OG 3.45Å; F192-E196 PolarHBondContact O-N 3.38Å; F192-E196 VanDerWaalsContact O-N 3.15Å
193L53.7Low54.6Low113 Ų113101.5 Ų101.559%0.59250%0.495SS*.Hα-helixtrans-62.7-34.3178-69.7165.1000113.2S189 E190S189-L193 PolarHBondContact O-N 2.69Å; E190-L193 PolarHBondContact O-N 2.9Å
194E49.5Very low52.1Low92 Ų92102.7 Ų102.743%0.4351%0.514SS..Hα-helixtrans-70.6-33.1170.1-79.1-159.4-178.400113.2E190 F192 R197 K198E190-E194 PolarHBondContact O-N 3.01Å; F192-E194 VanDerWaalsContact C-N 3.33Å; F192-E194 PolarHBondContact O-N 3.16Å; E194-R197 PolarHBondContact O-N 3Å; E194-K198 WeakPolarHBondContact O-CB 3.21Å; E194-K198 WeakPolarHBondContact O-CD 3.49Å; E194-K198 VanDerWaalsContact O-CG 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.27Å; E194-K198 PolarHBondContact O-N 2.66Å; E194-K198 VanDerWaalsContact O-N 3.1Å; E194-K198 IonicContact OE2-NZ 2.61Å; E194-K198 PolarHBondContact OE2-NZ 3.15Å
195S48.8Very low49.6Very low53 Ų53110.9 Ų110.937%0.37156%0.555SS.*Hα-helixtrans-70.3-37.8-177.675.90000112.6Q191 F192 K198 Q199Q191-S195 WeakPolarHBondContact O-CB 3.31Å; Q191-S195 PolarHBondContact O-N 3.4Å; Q191-S195 VanDerWaalsContact O-N 3.07Å; F192-S195 WeakPolarHBondContact O-CB 3.42Å; F192-S195 PolarHBondContact O-N 3.39Å; F192-S195 PolarHBondContact O-OG 3.45Å; S195-K198 PolarHBondContact O-N 3.21Å; S195-Q199 PolarHBondContact O-N 3.32Å
196E42.1Very low47.2Very low115 Ų115111.5 Ų111.554%0.53757%0.568SS.*Hα-helixtrans-64.7-44.4173.9-68.1-179156.100110.9F192 K198 Q199F192-E196 PolarHBondContact O-N 3.38Å; F192-E196 VanDerWaalsContact O-N 3.15Å; E196-K198 PolarHBondContact O-N 2.99Å; E196-Q199 PolarHBondContact O-N 3.14Å
197R39.9Very low44.9Very low209 Ų209114.7 Ų114.779%0.78958%0.583SS**Hα-helixtrans-64.4-22.8174.9-73.9-176.7172.6-171.8-2.2114.4E194E194-R197 PolarHBondContact O-N 3Å
198K42.5Very low42.6Very low135 Ų135124.8 Ų124.859%0.58762%0.62SS**Hα-helixtrans-88.4-10.2178.4-75.1165.5-177.9164.10113.5E194 S195 E196E194-K198 WeakPolarHBondContact O-CB 3.21Å; E194-K198 WeakPolarHBondContact O-CD 3.49Å; E194-K198 VanDerWaalsContact O-CG 3.28Å; E194-K198 WeakPolarHBondContact O-CG 3.27Å; E194-K198 PolarHBondContact O-N 2.66Å; E194-K198 VanDerWaalsContact O-N 3.1Å; E194-K198 IonicContact OE2-NZ 2.61Å; E194-K198 PolarHBondContact OE2-NZ 3.15Å; S195-K198 PolarHBondContact O-N 3.21Å; E196-K198 PolarHBondContact O-N 2.99Å
199Q36Very low40.2Very low170 Ų170133.5 Ų133.579%0.79466%0.657SS**Hα-helixtrans-85.7-18.8176-80.4-171.6-14.100114.5S195 E196S195-Q199 PolarHBondContact O-N 3.32Å; E196-Q199 PolarHBondContact O-N 3.14Å
200E31.3Very low38.5Very low167 Ų167136.1 Ų136.178%0.7867%0.673SS**SBendtrans-87.1-8.1179.4-70.4-168.1137.100115.1
201F27.1Very low36.2Very low168 Ų168139.5 Ų139.574%0.73769%0.693SS**  trans-126.291179-72.6-80.4000113
202S24.4Very low34.4Very low115 Ų115141.9 Ų141.980%0.80472%0.717SS**  trans-119.394.1163.2-71.60000110.5
203P30.3Very low33.1Very low118 Ų118146 Ų14677%0.76674%0.738SS**  trans-79.7135.2172-6.424.3000110.7
204S26.5Very low31.9Very low115 Ų115147.3 Ų147.380%0.80474%0.741SS**  trans-64.4139.9169.6540000112.5
205M25.4Very low30.8Very low178 Ų178150.2 Ų150.288%0.87775%0.754SS**  trans-26.9126.3169.4-61.1-79.2-84.300116
206T27.2Very low29.8Very low145 Ų145157.7 Ų157.789%0.8977%0.774SS**  -164.6136.5126.9-68.70000109
207E28.1Very low29Very low177 Ų177158.3 Ų158.383%0.82778%0.781SS**  trans-75.1142.2-177.2-54.8174.6121.500113.1
208R27.2Very low28.3Very low250 Ų250153.6 Ų153.694%0.94378%0.78SS**  -177144.6122.5-97.9162.7-170.8-164.73.1112.9
209K22.8Very low27.5Very low196 Ų196157.6 Ų157.685%0.85279%0.793SS**  trans-116173.8171-98.5-173.5177.8179.50108.1
210P34.2Very low27Very low100 Ų100156.6 Ų156.665%0.64979%0.792SS**  cis-140.3177.2-33.139.1-21.8000114.5
211L24.2Very low26.7Very low167 Ų167154 Ų15487%0.87479%0.793SS**  trans38.8120.2142.1-70.8163.1000122.7
212S26.4Very low27Very low114 Ų114151.2 Ų151.280%0.79779%0.791SS**  171.1168.312661.40000109
213Q27.3Very low27Very low169 Ų169151 Ų15179%0.7979%0.79SS**  cis172.9149.3-29.9-177.6164.54.300105.7
214Q27.8Very low27.1Very low141 Ų141153 Ų15366%0.65979%0.789SS**  trans79.6120.9163.5-86.3179.9-54.400123.4
215E27.9Very low27.4Very low152 Ų152153.5 Ų153.571%0.7179%0.789SS**  52.1120.3123.1-66.1166.4-149.500121.8
216R26.6Very low27.9Very low211 Ų211152.3 Ų152.380%0.79678%0.781SS**  176.513889.2-106.8-117.8-80.2-97.11.1115.8
217D25.1Very low28Very low127 Ų127151.8 Ų151.868%0.67978%0.778SS**  trans7.7136.8148.2-42.8-26.9000120.7
218S25.4Very low28.5Very low110 Ų110152.5 Ų152.577%0.76978%0.778SS**  174.9138.284.440.40000115.5
219Y25.3Very low28.8Very low219 Ų219144.6 Ų144.686%0.85977%0.767SS**  trans12.5137.5147.2-65.7-95.4000119.6
220I25.8Very low29.5Very low150 Ų150143.1 Ų143.177%0.76976%0.763SS**  -163.9139.258.8-74.6177.4000109.6
221S26.4Very low29.6Very low113 Ų113147.5 Ų147.579%0.7977%0.774SS**  trans-101.2157.9154.9-49.70000109.3
222P31.6Very low30.5Very low108 Ų108147.6 Ų147.670%0.70177%0.768SS**  -151.7154.495.639-22.1000117.7
223S25.1Very low31.4Very low111 Ų111146.7 Ų146.778%0.77676%0.761SS**  trans62.7122.1146.153.40000121.3
224E32.9Very low32.9Very low161 Ų161144.1 Ų144.175%0.75275%0.753SS**  trans-63.2177.7164.1-50.8175.6150.100112.7
225P31.7Very low34.8Very low124 Ų124138.3 Ų138.381%0.80573%0.728SS**  -127.2147.996.636.5-32.1000114.5T227P225-T227 PolarHBondContact O-N 3.37Å
226E37Very low37.2Very low154 Ų154133.8 Ų133.872%0.7271%0.706SS**  trans-41119.5175.1-56.3174.7118.600114.2
227T28.1Very low39.9Very low133 Ų133128.9 Ų128.982%0.81669%0.692SS**  trans-123.4115.4141.834.50000108.3P225 A229P225-T227 PolarHBondContact O-N 3.37Å; T227-A229 PolarHBondContact O-N 2.94Å
228K39Very low42.6Very low193 Ų193123.1 Ų123.184%0.83966%0.662SS**  trans-67.480170.5-66.8178.1-179.5176.30109.5E230K228-E230 PolarHBondContact O-N 2.92Å
229A34.3Very low45.2Very low84 Ų84119.3 Ų119.369%0.69464%0.635SS**  trans-74.5104.5152.600000106.1T227 E231T227-A229 PolarHBondContact O-N 2.94Å; A229-E231 PolarHBondContact O-N 3.39Å
230E36.3Very low47.8Very low164 Ų164111 Ų11177%0.76661%0.605SS**  trans-56.2113158.3-66.8174152.500106.3K228 K232K228-E230 PolarHBondContact O-N 2.92Å; E230-K232 PolarHBondContact O-N 3.25Å
231E37.3Very low50.4Low192 Ų192104.5 Ų104.590%0.89757%0.572SS**  trans-63.287.7164.2-74.8-174.214400106.8A229 S233A229-E231 PolarHBondContact O-N 3.39Å; E231-S233 PolarHBondContact O-N 3.47Å
232K42.2Very low53.1Low169 Ų169102.2 Ų102.274%0.73555%0.547SS*.  trans-56.4108.8169.6-81.9-175.4174.3-179.10106.6E230 N234E230-K232 PolarHBondContact O-N 3.25Å; K232-N234 PolarHBondContact O-N 3.47Å
233S47Very low55.5Low95 Ų9597.3 Ų97.366%0.66452%0.515SS*.  trans-43.6115.7170.1-179.90000109E231 C235E231-S233 PolarHBondContact O-N 3.47Å; S233-C235 PolarHBondContact O-N 3.32Å; S233-C235 VanDerWaalsContact O-N 3.15Å; S233-C235 VanDerWaalsContact OG-CB 3.23Å; S233-C235 WeakPolarHBondContact OG-CB 3.47Å
234N58.5Low58.3Low115 Ų11595 Ų9562%0.61549%0.492SS*.  trans-76.18.2178.3-84.4-36.7000112.7K232 R291K232-N234 PolarHBondContact O-N 3.47Å; N234-R291 VanDerWaalsContact C-NH2 3.31Å; N234-R291 PolarHBondContact O-NH2 2.98Å
235C67.4Low60.8Low20 Ų2087.8 Ų87.814%0.13546%0.458CS..EExtended strand (participates in β ladder)trans-74.4132.4173.1-177.30000112.1S233 C276 D278S233-C235 PolarHBondContact O-N 3.32Å; S233-C235 VanDerWaalsContact O-N 3.15Å; S233-C235 VanDerWaalsContact OG-CB 3.23Å; S233-C235 WeakPolarHBondContact OG-CB 3.47Å; C235-C276 HydrophobicContact CB-CB 4.4Å; C235-C276 WeakPolarHBondContact CB-SG 3.47Å; C235-C276 WeakPolarHBondContact SG-CA 3.09Å; C235-C276 WeakPolarHBondContact SG-CB 3.4Å; C235-C276 CovalentContact SG-SG 2.02Å; C235-C276 PolarHBondContact SG-SG 3.37Å; C235-D278 VanDerWaalsContact CA-OD1 3.29Å; C235-D278 WeakPolarHBondContact CA-OD1 3.11Å; C235-D278 PolarHBondContact N-OD1 3.03Å
236F77.8Confident63.3Low56 Ų5682 Ų8225%0.24642%0.42CS..EExtended strand (participates in β ladder)trans-96.9104.2163.7-171.9-86.9000109.1V238 L277 F279 F294 A295F236-V238 HydrophobicContact CD1-CG1 3.77Å; F236-V238 HydrophobicContact CE1-CG1 3.52Å; F236-L277 HydrophobicContact CB-CB 4.24Å; F236-L277 HydrophobicContact CD1-CD1 4.2Å; F236-L277 PolarHBondContact N-O 3.5Å; F236-L277 WeakPolarHBondContact O-CB 3.15Å; F236-L277 PolarHBondContact O-N 2.97Å; F236-F279 HydrophobicContact CB-CE2 3.88Å; F236-F294 AromaticContact CD1-CD1 3.97Å; F236-F294 HydrophobicContact CD1-CD1 3.97Å; F236-F294 AromaticContact CD1-CE1 3.87Å; F236-F294 HydrophobicContact CD1-CE1 3.87Å; F236-F294 AromaticContact CE1-CD1 3.79Å; F236-F294 HydrophobicContact CE1-CD1 3.79Å; F236-F294 AromaticContact CE1-CE1 3.69Å; F236-F294 HydrophobicContact CE1-CE1 3.69Å; F236-F294 HydrophobicContact CZ-CD1 4.44Å; F236-A295 HydrophobicContact CE2-CB 3.88Å; F236-A295 HydrophobicContact CZ-CB 3.64Å
237E82.6Confident65.6Low109 Ų10978.9 Ų78.951%0.50940%0.404SS..EExtended strand (participates in β ladder)trans-82.7132.1-177.8-69.2-157.2129.200112.9S270 M274 V275E237-S270 WeakPolarHBondContact OE1-CB 3.32Å; E237-S270 PolarHBondContact OE1-OG 3.39Å; E237-M274 HydrophobicContact CB-CE 3.94Å; E237-V275 WeakPolarHBondContact CA-O 3.36Å
238V81.9Confident68.3Low6 Ų677.5 Ų77.54%0.03638%0.384CS..EExtended strand (participates in β ladder)trans-131.3151.6174.5-68.80000111.2F236 L240 F243 M274 V275 L277 F294 F298F236-V238 HydrophobicContact CD1-CG1 3.77Å; F236-V238 HydrophobicContact CE1-CG1 3.52Å; V238-L240 PolarHBondContact O-N 3.12Å; V238-F243 HydrophobicContact CG2-CB 3.8Å; V238-F243 HydrophobicContact CG2-CD2 3.79Å; V238-F243 HydrophobicContact CG2-CG 3.88Å; V238-M274 CarbonylContact O-C 3.54Å; V238-M274 VanDerWaalsContact O-CA 3.32Å; V238-M274 WeakPolarHBondContact O-CA 3.14Å; V238-V275 HydrophobicContact CG2-CB 4.21Å; V238-V275 PolarHBondContact N-O 3.19Å; V238-V275 PolarHBondContact O-N 2.9Å; V238-L277 HydrophobicContact CG1-CD1 4.16Å; V238-L277 HydrophobicContact CG2-CD1 3.65Å; V238-L277 HydrophobicContact CG2-CG 4.5Å; V238-F294 HydrophobicContact CG1-CE1 4.23Å; V238-F298 HydrophobicContact CB-CE1 4.07Å; V238-F298 HydrophobicContact CB-CE2 4.27Å; V238-F298 HydrophobicContact CB-CZ 3.71Å; V238-F298 HydrophobicContact CG1-CD1 4.06Å; V238-F298 HydrophobicContact CG1-CE1 3.65Å; V238-F298 HydrophobicContact CG1-CE2 4.19Å; V238-F298 HydrophobicContact CG1-CZ 3.72Å; V238-F298 HydrophobicContact CG2-CZ 4.44Å
239S80.7Confident70.4Confident29 Ų2970.8 Ų70.820%0.20336%0.357CS..EExtended strand (participates in β ladder)trans-72.5127.6177.7-177.10000111.4Y242 F243 N273S239-Y242 PolarHBondContact O-N 3.43Å; S239-Y242 VanDerWaalsContact O-N 3.08Å; S239-F243 PolarHBondContact O-N 3.46Å; S239-N273 WeakPolarHBondContact CA-O 3.26Å; S239-N273 PolarHBondContact OG-ND2 3.32Å; S239-N273 PolarHBondContact OG-O 3.48Å
240L80Confident72.6Confident45 Ų4567.6 Ų67.624%0.23633%0.329CS..Hα-helixtrans-50.8-49.1-172.317264.5000113.3V238 Y242 F243 E244 N273 V275V238-L240 PolarHBondContact O-N 3.12Å; L240-Y242 VanDerWaalsContact C-N 3.34Å; L240-Y242 PolarHBondContact O-N 3.02Å; L240-F243 PolarHBondContact O-N 2.87Å; L240-F243 VanDerWaalsContact O-N 3.16Å; L240-E244 HydrophobicContact CD1-CG 3.87Å; L240-E244 HydrophobicContact CG-CG 4.44Å; L240-E244 WeakPolarHBondContact O-CG 3.21Å; L240-E244 PolarHBondContact O-N 3.33Å; L240-N273 PolarHBondContact N-O 2.95Å; L240-V275 HydrophobicContact CB-CG2 3.96Å; L240-V275 HydrophobicContact CD1-CG2 3.42Å; L240-V275 VanDerWaalsContact CD1-CG2 3.42Å; L240-V275 HydrophobicContact CG-CG2 4.26Å
241P80.4Confident74.8Confident13 Ų1363.4 Ų63.48%0.08432%0.316CS..Hα-helixtrans-57.8-43.4178.1-25.435.1000113.5F243 E244 Y245 N273 L344P241-F243 VanDerWaalsContact C-N 3.34Å; P241-E244 PolarHBondContact O-N 3.16Å; P241-Y245 PolarHBondContact O-N 2.9Å; P241-N273 WeakPolarHBondContact CD-OD1 3.23Å; P241-N273 WeakPolarHBondContact CG-OD1 3.29Å; P241-L344 VanDerWaalsContact C-CD2 3.42Å; P241-L344 HydrophobicContact CB-CD2 3.75Å; P241-L344 WeakPolarHBondContact O-CD2 3.35Å
242Y82.3Confident77.2Confident66 Ų6659.7 Ų59.726%0.25930%0.303SS..Hα-helixtrans-70.9-31.6179.7-64.1-90000111.7S239 L240 Y245 F246 T302 L305 L344S239-Y242 PolarHBondContact O-N 3.43Å; S239-Y242 VanDerWaalsContact O-N 3.08Å; L240-Y242 VanDerWaalsContact C-N 3.34Å; L240-Y242 PolarHBondContact O-N 3.02Å; Y242-Y245 PolarHBondContact O-N 3.25Å; Y242-F246 WeakPolarHBondContact O-CB 3.46Å; Y242-F246 PolarHBondContact O-N 2.91Å; Y242-T302 HydrophobicContact CD1-CG2 4.49Å; Y242-L305 HydrophobicContact CD1-CB 4.24Å; Y242-L305 HydrophobicContact CD1-CD1 4.2Å; Y242-L305 HydrophobicContact CE1-CB 3.95Å; Y242-L344 HydrophobicContact CD1-CD1 4.22Å; Y242-L344 HydrophobicContact CE1-CD1 3.98Å
243F82.9Confident79.2Confident4 Ų455.5 Ų55.52%0.01828%0.284CS..Hα-helixtrans-70-40.2172.6-173.9-114.1000113.4V238 S239 L240 P241 Y245 F246 K247 I254 I267 V275 L277 F294 F298V238-F243 HydrophobicContact CG2-CB 3.8Å; V238-F243 HydrophobicContact CG2-CD2 3.79Å; V238-F243 HydrophobicContact CG2-CG 3.88Å; S239-F243 PolarHBondContact O-N 3.46Å; L240-F243 PolarHBondContact O-N 2.87Å; L240-F243 VanDerWaalsContact O-N 3.16Å; P241-F243 VanDerWaalsContact C-N 3.34Å; F243-Y245 VanDerWaalsContact C-N 3.33Å; F243-F246 PolarHBondContact O-N 3.35Å; F243-K247 HydrophobicContact CE1-CD 3.99Å; F243-K247 VanDerWaalsContact CE1-CE 3.47Å; F243-K247 HydrophobicContact CE1-CG 4.49Å; F243-K247 HydrophobicContact CZ-CD 4.23Å; F243-K247 VanDerWaalsContact CZ-CE 3.49Å; F243-K247 HydrophobicContact CZ-CG 4.39Å; F243-K247 PolarHBondContact O-N 2.67Å; F243-I254 HydrophobicContact CE2-CD1 4.17Å; F243-I254 HydrophobicContact CZ-CD1 4.15Å; F243-I267 HydrophobicContact CE1-CD1 4.21Å; F243-I267 HydrophobicContact CE1-CG2 3.86Å; F243-I267 HydrophobicContact CZ-CD1 3.86Å; F243-I267 HydrophobicContact CZ-CG1 4.36Å; F243-I267 HydrophobicContact CZ-CG2 4.26Å; F243-V275 HydrophobicContact CD1-CB 4.15Å; F243-V275 HydrophobicContact CD1-CG1 3.93Å; F243-V275 HydrophobicContact CD1-CG2 4.03Å; F243-V275 HydrophobicContact CE1-CG1 3.89Å; F243-L277 HydrophobicContact CD2-CD1 4.29Å; F243-L277 HydrophobicContact CE2-CD1 3.94Å; F243-L277 HydrophobicContact CE2-CD2 3.77Å; F243-L277 HydrophobicContact CE2-CG 4.32Å; F243-L277 HydrophobicContact CZ-CD2 3.71Å; F243-L277 HydrophobicContact CZ-CG 4.5Å; F243-F294 HydrophobicContact CD2-CZ 4.41Å; F243-F294 HydrophobicContact CE2-CZ 4.19Å; F243-F298 HydrophobicContact CB-CE2 4.39Å; F243-F298 HydrophobicContact CD2-CE2 4.24Å
244E84.5Confident81.1Confident63 Ų6351.6 Ų51.629%0.29426%0.256SS..Hα-helixtrans-64.1-39.2172-67.9175.2115.600111.7L240 P241 Y248 L333 K335L240-E244 HydrophobicContact CD1-CG 3.87Å; L240-E244 HydrophobicContact CG-CG 4.44Å; L240-E244 WeakPolarHBondContact O-CG 3.21Å; L240-E244 PolarHBondContact O-N 3.33Å; P241-E244 PolarHBondContact O-N 3.16Å; E244-Y248 VanDerWaalsContact O-CB 3.29Å; E244-Y248 WeakPolarHBondContact O-CB 3.49Å; E244-Y248 PolarHBondContact O-N 2.81Å; E244-L333 HydrophobicContact CB-CD2 4.19Å; E244-K335 IonicContact OE1-NZ 2.72Å; E244-K335 PolarHBondContact OE1-NZ 3.46Å; E244-K335 IonicContact OE2-NZ 2.82Å; E244-K335 PolarHBondContact OE2-NZ 3.22Å
245Y85.8Confident82.4Confident10 Ų1049.4 Ų49.44%0.03924%0.244CC..Hα-helixtrans-63.4-44172.1-178.1-81.1000111.9P241 Y242 F243 K247 Y248 I249 L305 K331 L333 L344P241-Y245 PolarHBondContact O-N 2.9Å; Y242-Y245 PolarHBondContact O-N 3.25Å; F243-Y245 VanDerWaalsContact C-N 3.33Å; Y245-K247 PolarHBondContact O-N 3.43Å; Y245-Y248 WeakPolarHBondContact O-CB 3.4Å; Y245-Y248 PolarHBondContact O-N 2.79Å; Y245-Y248 VanDerWaalsContact O-N 3.11Å; Y245-I249 HydrophobicContact CD1-CG1 3.94Å; Y245-I249 HydrophobicContact CE1-CB 4.32Å; Y245-I249 HydrophobicContact CE1-CD1 4.5Å; Y245-I249 HydrophobicContact CE1-CG1 3.45Å; Y245-I249 VanDerWaalsContact CE1-CG1 3.45Å; Y245-I249 HydrophobicContact CE2-CD1 4.42Å; Y245-I249 HydrophobicContact CE2-CG1 4.08Å; Y245-I249 HydrophobicContact CG-CG1 4.45Å; Y245-I249 PolarHBondContact O-N 3.15Å; Y245-L305 HydrophobicContact CD1-CD1 3.22Å; Y245-L305 HydrophobicContact CD1-CG 4.48Å; Y245-L305 HydrophobicContact CD2-CD1 4.09Å; Y245-L305 HydrophobicContact CE1-CD1 3.29Å; Y245-L305 HydrophobicContact CE1-CD2 3.79Å; Y245-L305 HydrophobicContact CE1-CG 4.16Å; Y245-L305 HydrophobicContact CE2-CD1 4.16Å; Y245-L305 HydrophobicContact CE2-CD2 4.24Å; Y245-L305 HydrophobicContact CG-CD1 3.64Å; Y245-K331 VanDerWaalsContact CE2-O 3.25Å; Y245-K331 WeakPolarHBondContact CE2-O 3.28Å; Y245-K331 PolarHBondContact OH-O 2.87Å; Y245-L333 HydrophobicContact CD2-CB 3.79Å; Y245-L344 HydrophobicContact CD2-CG 3.97Å; Y245-L344 WeakPolarHBondContact CD2-O 3.38Å; Y245-L344 WeakPolarHBondContact CE2-O 3.25Å; Y245-L344 HydrophobicContact CG-CG 4.36Å
246F84.1Confident83.3Confident1 Ų151.4 Ų51.40%0.00426%0.259CS..Hα-helixtrans-59.1-47.6176.7-178.5-99.1000111.4Y242 F243 Y248 I249 C250 K253 I254 F294 E297 F298 N301Y242-F246 WeakPolarHBondContact O-CB 3.46Å; Y242-F246 PolarHBondContact O-N 2.91Å; F243-F246 PolarHBondContact O-N 3.35Å; F246-Y248 VanDerWaalsContact C-N 3.3Å; F246-Y248 PolarHBondContact O-N 3.24Å; F246-I249 PolarHBondContact O-N 3.27Å; F246-C250 HydrophobicContact CE2-CB 4.44Å; F246-C250 WeakPolarHBondContact O-CA 3.39Å; F246-C250 VanDerWaalsContact O-CB 3.31Å; F246-C250 WeakPolarHBondContact O-CB 3.4Å; F246-C250 PolarHBondContact O-N 2.97Å; F246-K253 HydrophobicContact CZ-CB 4.13Å; F246-I254 HydrophobicContact CE1-CD1 4.5Å; F246-I254 HydrophobicContact CE1-CG1 4.05Å; F246-F294 HydrophobicContact CD1-CE2 4.33Å; F246-F294 AromaticContact CE1-CE2 3.76Å; F246-F294 HydrophobicContact CE1-CE2 3.76Å; F246-F294 HydrophobicContact CE1-CZ 4.45Å; F246-F294 HydrophobicContact CZ-CE2 4.27Å; F246-E297 HydrophobicContact CE2-CG 4.28Å; F246-E297 HydrophobicContact CZ-CG 4.47Å; F246-F298 HydrophobicContact CB-CD2 3.98Å; F246-F298 HydrophobicContact CB-CE2 3.95Å; F246-F298 HydrophobicContact CD1-CD2 4.25Å; F246-F298 AromaticContact CD2-CD2 3.93Å; F246-F298 HydrophobicContact CD2-CD2 3.93Å; F246-F298 HydrophobicContact CE2-CB 4.42Å; F246-F298 HydrophobicContact CE2-CD2 4.49Å; F246-F298 AromaticContact CG-CD2 3.79Å; F246-F298 HydrophobicContact CG-CD2 3.79Å; F246-F298 HydrophobicContact CG-CE2 4.27Å; F246-N301 HydrophobicContact CD2-CB 4.1Å; F246-N301 HydrophobicContact CE2-CB 4.46Å
247K85Confident83.7Confident90 Ų9049.2 Ų49.239%0.39125%0.249SC..Hα-helixtrans-60-36.9172.5-79.2-174167-177.70113.2F243 Y245 P251 I254F243-K247 HydrophobicContact CE1-CD 3.99Å; F243-K247 VanDerWaalsContact CE1-CE 3.47Å; F243-K247 HydrophobicContact CE1-CG 4.49Å; F243-K247 HydrophobicContact CZ-CD 4.23Å; F243-K247 VanDerWaalsContact CZ-CE 3.49Å; F243-K247 HydrophobicContact CZ-CG 4.39Å; F243-K247 PolarHBondContact O-N 2.67Å; Y245-K247 PolarHBondContact O-N 3.43Å; K247-P251 WeakPolarHBondContact O-CA 3.45Å; K247-I254 HydrophobicContact CG-CD1 4.22Å
248Y83.7Confident83.9Confident104 Ų10446 Ų4641%0.40823%0.234SC..Hα-helixtrans-69.3-42.8-179.2175.9-107.7000113.2E244 Y245 F246 L333E244-Y248 VanDerWaalsContact O-CB 3.29Å; E244-Y248 WeakPolarHBondContact O-CB 3.49Å; E244-Y248 PolarHBondContact O-N 2.81Å; Y245-Y248 WeakPolarHBondContact O-CB 3.4Å; Y245-Y248 PolarHBondContact O-N 2.79Å; Y245-Y248 VanDerWaalsContact O-N 3.11Å; F246-Y248 VanDerWaalsContact C-N 3.3Å; F246-Y248 PolarHBondContact O-N 3.24Å; Y248-L333 HydrophobicContact CD1-CB 4.43Å; Y248-L333 HydrophobicContact CD1-CD1 4.18Å; Y248-L333 HydrophobicContact CD2-CD1 4.25Å; Y248-L333 HydrophobicContact CG-CD1 3.98Å
249I83.3Confident84.2Confident51 Ų5153.4 Ų53.426%0.26227%0.266SS..Hα-helixtrans-83.9-31.5-179-60.8-57.7000112.5Y245 F246 P251 K331Y245-I249 HydrophobicContact CD1-CG1 3.94Å; Y245-I249 HydrophobicContact CE1-CB 4.32Å; Y245-I249 HydrophobicContact CE1-CD1 4.5Å; Y245-I249 HydrophobicContact CE1-CG1 3.45Å; Y245-I249 VanDerWaalsContact CE1-CG1 3.45Å; Y245-I249 HydrophobicContact CE2-CD1 4.42Å; Y245-I249 HydrophobicContact CE2-CG1 4.08Å; Y245-I249 HydrophobicContact CG-CG1 4.45Å; Y245-I249 PolarHBondContact O-N 3.15Å; F246-I249 PolarHBondContact O-N 3.27Å; I249-P251 VanDerWaalsContact C-CD 3.49Å; I249-K331 HydrophobicContact CD1-CB 4.42Å
250C82.2Confident84.4Confident17 Ų1760.6 Ų60.612%0.11529%0.289CS..  trans-131.355.5-167.7-82.10000112.1F246 D252 K253F246-C250 HydrophobicContact CE2-CB 4.44Å; F246-C250 WeakPolarHBondContact O-CA 3.39Å; F246-C250 VanDerWaalsContact O-CB 3.31Å; F246-C250 WeakPolarHBondContact O-CB 3.4Å; F246-C250 PolarHBondContact O-N 2.97Å; C250-D252 PolarHBondContact O-N 2.83Å; C250-K253 HydrophobicContact CB-CB 4.05Å; C250-K253 HydrophobicContact CB-CG 3.58Å; C250-K253 WeakPolarHBondContact O-CB 3.39Å; C250-K253 PolarHBondContact O-N 2.9Å; C250-K253 VanDerWaalsContact O-N 3.15Å
251P81.9Confident84.7Confident76 Ų7660.4 Ų60.449%0.49429%0.286SS..THydrogen-bonded Turntrans-57-45.4-171.722.5-33.7000113K247 I249 K253K247-P251 WeakPolarHBondContact O-CA 3.45Å; I249-P251 VanDerWaalsContact C-CD 3.49Å; P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 PolarHBondContact O-N 2.95Å
252D86.4Confident84.7Confident114 Ų11462 Ų6261%0.6131%0.305SS*.THydrogen-bonded Turntrans-79.90.2-175.8-44.7-66000114.2C250 S256C250-D252 PolarHBondContact O-N 2.83Å; D252-S256 WeakPolarHBondContact O-CB 3.33Å; D252-S256 PolarHBondContact O-N 2.95Å; D252-S256 PolarHBondContact O-OG 2.62Å
253K85.6Confident84.9Confident81 Ų8159.5 Ų59.535%0.35230%0.296SS..Hα-helixtrans-75.5-32.3-172.9-74.9-70.5-178.3153.30113.5F246 C250 P251 S256 I257 E297F246-K253 HydrophobicContact CZ-CB 4.13Å; C250-K253 HydrophobicContact CB-CB 4.05Å; C250-K253 HydrophobicContact CB-CG 3.58Å; C250-K253 WeakPolarHBondContact O-CB 3.39Å; C250-K253 PolarHBondContact O-N 2.9Å; C250-K253 VanDerWaalsContact O-N 3.15Å; P251-K253 VanDerWaalsContact C-N 3.26Å; P251-K253 PolarHBondContact O-N 2.95Å; K253-S256 PolarHBondContact O-N 3.47Å; K253-I257 WeakPolarHBondContact O-CG1 3.32Å; K253-I257 PolarHBondContact O-N 3.4Å; K253-I257 VanDerWaalsContact O-N 3.15Å; K253-E297 HydrophobicContact CD-CG 4.45Å; K253-E297 VanDerWaalsContact CE-OE1 3.31Å; K253-E297 WeakPolarHBondContact CE-OE1 3.47Å; K253-E297 IonicContact NZ-OE1 2.67Å; K253-E297 PolarHBondContact NZ-OE1 2.89Å
254I85.7Confident85Confident14 Ų1462.8 Ų62.87%0.07231%0.314CS..Hα-helixtrans-66.3-56.2176.2-61.8179.4000108.5F243 F246 K247 S256 I257 E258 I265F243-I254 HydrophobicContact CE2-CD1 4.17Å; F243-I254 HydrophobicContact CZ-CD1 4.15Å; F246-I254 HydrophobicContact CE1-CD1 4.5Å; F246-I254 HydrophobicContact CE1-CG1 4.05Å; K247-I254 HydrophobicContact CG-CD1 4.22Å; I254-S256 PolarHBondContact O-N 2.89Å; I254-S256 VanDerWaalsContact O-N 3.08Å; I254-I257 WeakPolarHBondContact O-CB 3.48Å; I254-I257 PolarHBondContact O-N 3.31Å; I254-E258 PolarHBondContact O-N 2.9Å; I254-I265 HydrophobicContact CG2-CB 4.18Å; I254-I265 HydrophobicContact CG2-CD1 4Å
255D86.4Confident85.1Confident68 Ų6860.2 Ų60.236%0.36430%0.302SS..Hα-helixtrans-47.9-38.3170.8-69.347.5000114K259D255-K259 VanDerWaalsContact O-CB 3.32Å; D255-K259 WeakPolarHBondContact O-CB 3.31Å; D255-K259 WeakPolarHBondContact O-CD 3.34Å; D255-K259 VanDerWaalsContact O-CG 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; D255-K259 PolarHBondContact O-N 3.41Å; D255-K259 IonicContact OD2-NZ 3.51Å
256S87.3Confident84.9Confident63 Ų6363.9 Ų63.944%0.44132%0.319SS..Hα-helixtrans-70.4-33.5179.8-64.60000112.5D252 K253 I254 R260D252-S256 WeakPolarHBondContact O-CB 3.33Å; D252-S256 PolarHBondContact O-N 2.95Å; D252-S256 PolarHBondContact O-OG 2.62Å; K253-S256 PolarHBondContact O-N 3.47Å; I254-S256 PolarHBondContact O-N 2.89Å; I254-S256 VanDerWaalsContact O-N 3.08Å; S256-R260 WeakPolarHBondContact O-CB 3.26Å; S256-R260 PolarHBondContact O-N 2.98Å
257I85.8Confident85Confident9 Ų967.2 Ų67.25%0.04634%0.336CS..Hα-helixtrans-73.7-48.5175.3-68.2164.7000109K253 I254 K259 R260 F261 I265 A290 F294K253-I257 WeakPolarHBondContact O-CG1 3.32Å; K253-I257 PolarHBondContact O-N 3.4Å; K253-I257 VanDerWaalsContact O-N 3.15Å; I254-I257 WeakPolarHBondContact O-CB 3.48Å; I254-I257 PolarHBondContact O-N 3.31Å; I257-K259 PolarHBondContact O-N 3.48Å; I257-R260 PolarHBondContact O-N 2.83Å; I257-R260 VanDerWaalsContact O-N 3.11Å; I257-F261 HydrophobicContact CG2-CD2 3.86Å; I257-F261 HydrophobicContact CG2-CE2 4.2Å; I257-F261 VanDerWaalsContact O-CD2 3.3Å; I257-F261 WeakPolarHBondContact O-CD2 3.4Å; I257-F261 PolarHBondContact O-N 3.35Å; I257-I265 HydrophobicContact CB-CD1 4.46Å; I257-I265 HydrophobicContact CG2-CD1 4.08Å; I257-A290 HydrophobicContact CG2-CB 4.29Å; I257-F294 HydrophobicContact CD1-CB 4.07Å; I257-F294 HydrophobicContact CD1-CD2 4.12Å
258E86.7Confident84.6Confident41 Ų4167.5 Ų67.519%0.19234%0.339CS..Hα-helixtrans-51.6-54.1175.8-70.1-179.9154.100112.2I254 R260 F261 G262 I263 I265I254-E258 PolarHBondContact O-N 2.9Å; E258-R260 VanDerWaalsContact C-N 3.32Å; E258-R260 PolarHBondContact O-N 2.97Å; E258-F261 PolarHBondContact O-N 3.26Å; E258-G262 WeakPolarHBondContact O-CA 3.5Å; E258-G262 PolarHBondContact O-N 3.38Å; E258-I263 VanDerWaalsContact CA-O 3.24Å; E258-I263 WeakPolarHBondContact CA-O 3.47Å; E258-I263 WeakPolarHBondContact CB-O 3.46Å; E258-I263 HydrophobicContact CG-CD1 4.22Å; E258-I263 WeakPolarHBondContact CG-O 3.47Å; E258-I263 PolarHBondContact O-N 2.88Å; E258-I265 HydrophobicContact CG-CB 4.4Å; E258-I265 HydrophobicContact CG-CD1 4.06Å; E258-I265 HydrophobicContact CG-CG1 3.94Å; E258-I265 PolarHBondContact OE1-N 3.05Å
259K86.7Confident84.1Confident163 Ų16369.3 Ų69.371%0.70936%0.356SS*.Hα-helixtrans-64.6-31.9178.4-71.5164.8-172.8148.50113.4D255 I257D255-K259 VanDerWaalsContact O-CB 3.32Å; D255-K259 WeakPolarHBondContact O-CB 3.31Å; D255-K259 WeakPolarHBondContact O-CD 3.34Å; D255-K259 VanDerWaalsContact O-CG 3.24Å; D255-K259 WeakPolarHBondContact O-CG 3.46Å; D255-K259 PolarHBondContact O-N 3.41Å; D255-K259 IonicContact OD2-NZ 3.51Å; I257-K259 PolarHBondContact O-N 3.48Å
260R86.8Confident83.3Confident180 Ų18069.4 Ų69.468%0.67936%0.361SS*.Hα-helixtrans-74.1-36.6-178.6178177.4-179.7-162.6-1.6112.6S256 I257 E258S256-R260 WeakPolarHBondContact O-CB 3.26Å; S256-R260 PolarHBondContact O-N 2.98Å; I257-R260 PolarHBondContact O-N 2.83Å; I257-R260 VanDerWaalsContact O-N 3.11Å; E258-R260 VanDerWaalsContact C-N 3.32Å; E258-R260 PolarHBondContact O-N 2.97Å
261F85.5Confident82.7Confident41 Ų4171.1 Ų71.118%0.1837%0.373CS..Hα-helixtrans-106.1-9-174.8-63.6-76.1000113.9I257 E258 I263 A289 A290I257-F261 HydrophobicContact CG2-CD2 3.86Å; I257-F261 HydrophobicContact CG2-CE2 4.2Å; I257-F261 VanDerWaalsContact O-CD2 3.3Å; I257-F261 WeakPolarHBondContact O-CD2 3.4Å; I257-F261 PolarHBondContact O-N 3.35Å; E258-F261 PolarHBondContact O-N 3.26Å; F261-I263 HydrophobicContact CB-CG1 3.96Å; F261-I263 HydrophobicContact CB-CG2 4.2Å; F261-A289 HydrophobicContact CD1-CB 4.15Å; F261-A289 HydrophobicContact CE1-CB 3.69Å; F261-A289 HydrophobicContact CZ-CB 4.4Å; F261-A290 HydrophobicContact CB-CB 3.92Å; F261-A290 HydrophobicContact CD2-CB 3.84Å; F261-A290 HydrophobicContact CG-CB 3.86Å
262G81.3Confident81.6Confident46 Ų4673.8 Ų73.847%0.47439%0.391SS..THydrogen-bonded Turntrans73.736.4-178.800000112.6E258 S281E258-G262 WeakPolarHBondContact O-CA 3.5Å; E258-G262 PolarHBondContact O-N 3.38Å; G262-S281 PolarHBondContact O-OG 3.13Å; G262-S281 VanDerWaalsContact O-OG 3.05Å
263I85.8Confident80.8Confident13 Ų1372.3 Ų72.37%0.06738%0.383CS..  trans-126.6164.9-173.566.485.1000110.1E258 F261 I265 F279 T280 L287 A290E258-I263 VanDerWaalsContact CA-O 3.24Å; E258-I263 WeakPolarHBondContact CA-O 3.47Å; E258-I263 WeakPolarHBondContact CB-O 3.46Å; E258-I263 HydrophobicContact CG-CD1 4.22Å; E258-I263 WeakPolarHBondContact CG-O 3.47Å; E258-I263 PolarHBondContact O-N 2.88Å; F261-I263 HydrophobicContact CB-CG1 3.96Å; F261-I263 HydrophobicContact CB-CG2 4.2Å; I263-I265 HydrophobicContact CD1-CD1 3.92Å; I263-I265 HydrophobicContact CD1-CG1 3.45Å; I263-I265 VanDerWaalsContact CD1-CG1 3.45Å; I263-F279 HydrophobicContact CD1-CD1 3.98Å; I263-T280 CarbonylContact C-O 3.59Å; I263-T280 WeakPolarHBondContact CA-O 3.21Å; I263-T280 WeakPolarHBondContact CB-O 3.19Å; I263-L287 HydrophobicContact CB-CD2 4.41Å; I263-L287 HydrophobicContact CG2-CD2 3.99Å; I263-A290 HydrophobicContact CD1-CB 4.14Å; I263-A290 HydrophobicContact CG1-CB 3.77Å
264N84.4Confident80.2Confident74 Ų7471 Ų7140%0.39638%0.379SS..EExtended strand (participates in β ladder)trans-117.3139.9176.2-178.642.1000108.5E266 T280N264-E266 WeakPolarHBondContact ND2-CG 3.32Å; N264-E266 PolarHBondContact ND2-OE1 2.96Å; N264-E266 VanDerWaalsContact ND2-OE1 3.15Å; N264-T280 PolarHBondContact N-O 3.36Å; N264-T280 PolarHBondContact O-N 3Å
265I86.1Confident80.1Confident9 Ų970.5 Ų70.55%0.04638%0.376CS..EExtended strand (participates in β ladder)trans-113.598.7178.6-59.4172.7000108.7I254 I257 E258 I263 L277 F279I254-I265 HydrophobicContact CG2-CB 4.18Å; I254-I265 HydrophobicContact CG2-CD1 4Å; I257-I265 HydrophobicContact CB-CD1 4.46Å; I257-I265 HydrophobicContact CG2-CD1 4.08Å; E258-I265 HydrophobicContact CG-CB 4.4Å; E258-I265 HydrophobicContact CG-CD1 4.06Å; E258-I265 HydrophobicContact CG-CG1 3.94Å; E258-I265 PolarHBondContact OE1-N 3.05Å; I263-I265 HydrophobicContact CD1-CD1 3.92Å; I263-I265 HydrophobicContact CD1-CG1 3.45Å; I263-I265 VanDerWaalsContact CD1-CG1 3.45Å; I265-L277 HydrophobicContact CG2-CB 4.32Å; I265-L277 HydrophobicContact CG2-CD2 3.52Å; I265-F279 HydrophobicContact CD1-CD1 4.14Å; I265-F279 HydrophobicContact CD1-CE1 3.63Å; I265-F279 HydrophobicContact CD1-CZ 4.23Å; I265-F279 HydrophobicContact CG1-CD1 3.86Å; I265-F279 HydrophobicContact CG1-CE1 3.83Å; I265-F279 HydrophobicContact CG1-CZ 4.44Å
266E82.6Confident79.9Confident87 Ų8767.7 Ų67.741%0.40736%0.362SS..EExtended strand (participates in β ladder)trans-80.4138.8175.6-70.7173.6-139.200110.2N264 L277 D278 T280N264-E266 WeakPolarHBondContact ND2-CG 3.32Å; N264-E266 PolarHBondContact ND2-OE1 2.96Å; N264-E266 VanDerWaalsContact ND2-OE1 3.15Å; E266-L277 WeakPolarHBondContact O-CA 3.35Å; E266-D278 HydrophobicContact CB-CB 4.31Å; E266-D278 PolarHBondContact N-O 2.75Å; E266-D278 PolarHBondContact O-N 2.92Å; E266-T280 PolarHBondContact OE1-OG1 2.83Å; E266-T280 VanDerWaalsContact OE1-OG1 3.12Å
267I85.6Confident79.8Confident70 Ų7064.7 Ų64.736%0.35934%0.341SS..EExtended strand (participates in β ladder)trans-117.9115.9-172.1-54.7175.5000107.6F243 V275 L277F243-I267 HydrophobicContact CE1-CD1 4.21Å; F243-I267 HydrophobicContact CE1-CG2 3.86Å; F243-I267 HydrophobicContact CZ-CD1 3.86Å; F243-I267 HydrophobicContact CZ-CG1 4.36Å; F243-I267 HydrophobicContact CZ-CG2 4.26Å; I267-V275 HydrophobicContact CG2-CG1 3.48Å; I267-V275 VanDerWaalsContact CG2-CG1 3.48Å; I267-L277 HydrophobicContact CG1-CD2 3.97Å
268Q76Confident79.7Confident96 Ų9666 Ų6645%0.44935%0.348SS..EExtended strand (participates in β ladder)trans-122.6139.9-178.6-63174.136.100110.3S270 C276 D278Q268-S270 PolarHBondContact O-N 2.76Å; Q268-C276 HydrophobicContact CB-CB 4.17Å; Q268-C276 PolarHBondContact N-O 2.97Å; Q268-C276 WeakPolarHBondContact O-CB 3.48Å; Q268-C276 PolarHBondContact O-N 3.4Å; Q268-D278 PolarHBondContact NE2-OD2 2.87Å
269D73.5Confident79.7Confident143 Ų14364.9 Ų64.977%0.76534%0.342SS*.EExtended strand (participates in β ladder)trans-76.2110.2174.9-67.9-36.7000109.5
270S67.4Low79.5Confident52 Ų5259.5 Ų59.536%0.36432%0.323SS..EExtended strand (participates in β ladder)trans-88.6-39-179.777.20000112.9E237 Q268 M274E237-S270 WeakPolarHBondContact OE1-CB 3.32Å; E237-S270 PolarHBondContact OE1-OG 3.39Å; Q268-S270 PolarHBondContact O-N 2.76Å; S270-M274 PolarHBondContact N-O 2.91Å; S270-M274 PolarHBondContact OG-O 2.81Å
271S69.3Low79.1Confident54 Ų5453 Ų5338%0.37831%0.306SS..EExtended strand (participates in β ladder)trans-157.9169.8179.173.20000111.6N273 M274S271-N273 PolarHBondContact O-N 2.86Å; S271-M274 PolarHBondContact N-O 3.04Å; S271-M274 PolarHBondContact O-N 2.84Å; S271-M274 VanDerWaalsContact O-N 3.14Å; S271-M274 WeakPolarHBondContact OG-CB 3.5Å; S271-M274 WeakPolarHBondContact OG-CG 3.26Å
272P59Low78.2Confident132 Ų13256.8 Ų56.886%0.85734%0.337SS*.THydrogen-bonded Turntrans-59.5-6.6-172.5-26.335.6000117.1
273N69.6Low77.4Confident83 Ų8362.4 Ų62.444%0.44435%0.351SS..THydrogen-bonded Turntrans-143.713.4177.5-160.860.9000113.6S239 L240 P241 S271S239-N273 WeakPolarHBondContact CA-O 3.26Å; S239-N273 PolarHBondContact OG-ND2 3.32Å; S239-N273 PolarHBondContact OG-O 3.48Å; L240-N273 PolarHBondContact N-O 2.95Å; P241-N273 WeakPolarHBondContact CD-OD1 3.23Å; P241-N273 WeakPolarHBondContact CG-OD1 3.29Å; S271-N273 PolarHBondContact O-N 2.86Å
274M73.1Confident76.4Confident54 Ų5468 Ų6827%0.26639%0.391SS..EExtended strand (participates in β ladder)trans-134.2145.1177.6-56.7-68.5-67.100110.6E237 V238 S270 S271E237-M274 HydrophobicContact CB-CE 3.94Å; V238-M274 CarbonylContact O-C 3.54Å; V238-M274 VanDerWaalsContact O-CA 3.32Å; V238-M274 WeakPolarHBondContact O-CA 3.14Å; S270-M274 PolarHBondContact N-O 2.91Å; S270-M274 PolarHBondContact OG-O 2.81Å; S271-M274 PolarHBondContact N-O 3.04Å; S271-M274 PolarHBondContact O-N 2.84Å; S271-M274 VanDerWaalsContact O-N 3.14Å; S271-M274 WeakPolarHBondContact OG-CB 3.5Å; S271-M274 WeakPolarHBondContact OG-CG 3.26Å
275V83.4Confident75.5Confident3 Ų365.5 Ų65.52%0.01838%0.383CS..EExtended strand (participates in β ladder)trans-118136.2176175.50000108.4E237 V238 L240 F243 I267E237-V275 WeakPolarHBondContact CA-O 3.36Å; V238-V275 HydrophobicContact CG2-CB 4.21Å; V238-V275 PolarHBondContact N-O 3.19Å; V238-V275 PolarHBondContact O-N 2.9Å; L240-V275 HydrophobicContact CB-CG2 3.96Å; L240-V275 HydrophobicContact CD1-CG2 3.42Å; L240-V275 VanDerWaalsContact CD1-CG2 3.42Å; L240-V275 HydrophobicContact CG-CG2 4.26Å; F243-V275 HydrophobicContact CD1-CB 4.15Å; F243-V275 HydrophobicContact CD1-CG1 3.93Å; F243-V275 HydrophobicContact CD1-CG2 4.03Å; F243-V275 HydrophobicContact CE1-CG1 3.89Å; I267-V275 HydrophobicContact CG2-CG1 3.48Å; I267-V275 VanDerWaalsContact CG2-CG1 3.48Å
276C81.9Confident75.2Confident9 Ų969.4 Ų69.46%0.06140%0.404CS..EExtended strand (participates in β ladder)trans-90.2133.2170.5-176.60000110.7C235 Q268C235-C276 HydrophobicContact CB-CB 4.4Å; C235-C276 WeakPolarHBondContact CB-SG 3.47Å; C235-C276 WeakPolarHBondContact SG-CA 3.09Å; C235-C276 WeakPolarHBondContact SG-CB 3.4Å; C235-C276 CovalentContact SG-SG 2.02Å; C235-C276 PolarHBondContact SG-SG 3.37Å; Q268-C276 HydrophobicContact CB-CB 4.17Å; Q268-C276 PolarHBondContact N-O 2.97Å; Q268-C276 WeakPolarHBondContact O-CB 3.48Å; Q268-C276 PolarHBondContact O-N 3.4Å
277L86.1Confident75.1Confident0 Ų068.4 Ų68.40%040%0.401CS..EExtended strand (participates in β ladder)trans-113.8108.1171.5-68.8152.6000108.9F236 V238 F243 I265 E266 I267 F279 F294F236-L277 HydrophobicContact CB-CB 4.24Å; F236-L277 HydrophobicContact CD1-CD1 4.2Å; F236-L277 PolarHBondContact N-O 3.5Å; F236-L277 WeakPolarHBondContact O-CB 3.15Å; F236-L277 PolarHBondContact O-N 2.97Å; V238-L277 HydrophobicContact CG1-CD1 4.16Å; V238-L277 HydrophobicContact CG2-CD1 3.65Å; V238-L277 HydrophobicContact CG2-CG 4.5Å; F243-L277 HydrophobicContact CD2-CD1 4.29Å; F243-L277 HydrophobicContact CE2-CD1 3.94Å; F243-L277 HydrophobicContact CE2-CD2 3.77Å; F243-L277 HydrophobicContact CE2-CG 4.32Å; F243-L277 HydrophobicContact CZ-CD2 3.71Å; F243-L277 HydrophobicContact CZ-CG 4.5Å; I265-L277 HydrophobicContact CG2-CB 4.32Å; I265-L277 HydrophobicContact CG2-CD2 3.52Å; E266-L277 WeakPolarHBondContact O-CA 3.35Å; I267-L277 HydrophobicContact CG1-CD2 3.97Å; L277-F279 HydrophobicContact CB-CE2 3.83Å; L277-F279 WeakPolarHBondContact O-CD2 3.29Å; L277-F294 HydrophobicContact CD1-CD1 4.3Å; L277-F294 HydrophobicContact CD1-CE1 3.42Å; L277-F294 VanDerWaalsContact CD1-CE1 3.42Å; L277-F294 HydrophobicContact CD1-CE2 4.21Å; L277-F294 HydrophobicContact CD1-CZ 3.36Å
278D83.9Confident74.9Confident36 Ų3670.6 Ų70.619%0.19341%0.409CS..EExtended strand (participates in β ladder)trans-96.7120.3176.9-82.1-23.7000109.7C235 E266 Q268C235-D278 VanDerWaalsContact CA-OD1 3.29Å; C235-D278 WeakPolarHBondContact CA-OD1 3.11Å; C235-D278 PolarHBondContact N-OD1 3.03Å; E266-D278 HydrophobicContact CB-CB 4.31Å; E266-D278 PolarHBondContact N-O 2.75Å; E266-D278 PolarHBondContact O-N 2.92Å; Q268-D278 PolarHBondContact NE2-OD2 2.87Å
279F86.3Confident75.3Confident17 Ų1767.3 Ų67.38%0.07540%0.399CS..EExtended strand (participates in β ladder)trans-95.5109.4-178.7-67.8-110.2000108.3F236 I263 I265 L277 L287 A290 R291 F294F236-F279 HydrophobicContact CB-CE2 3.88Å; I263-F279 HydrophobicContact CD1-CD1 3.98Å; I265-F279 HydrophobicContact CD1-CD1 4.14Å; I265-F279 HydrophobicContact CD1-CE1 3.63Å; I265-F279 HydrophobicContact CD1-CZ 4.23Å; I265-F279 HydrophobicContact CG1-CD1 3.86Å; I265-F279 HydrophobicContact CG1-CE1 3.83Å; I265-F279 HydrophobicContact CG1-CZ 4.44Å; L277-F279 HydrophobicContact CB-CE2 3.83Å; L277-F279 WeakPolarHBondContact O-CD2 3.29Å; F279-L287 HydrophobicContact CB-CD2 4.11Å; F279-L287 WeakPolarHBondContact O-CD2 3.14Å; F279-A290 HydrophobicContact CD1-CB 4.2Å; F279-R291 HydrophobicContact CB-CG 4.23Å; F279-R291 HydrophobicContact CD1-CG 3.76Å; F279-R291 HydrophobicContact CD2-CG 3.68Å; F279-R291 HydrophobicContact CE1-CG 3.99Å; F279-R291 HydrophobicContact CE2-CG 3.92Å; F279-R291 HydrophobicContact CG-CG 3.61Å; F279-R291 HydrophobicContact CZ-CG 4.08Å; F279-F294 HydrophobicContact CE1-CB 4.05Å; F279-F294 HydrophobicContact CZ-CB 3.8Å; F279-F294 HydrophobicContact CZ-CD1 4.17Å; F279-F294 AromaticContact CZ-CG 3.92Å; F279-F294 HydrophobicContact CZ-CG 3.92Å
280T81.6Confident75.8Confident51 Ų5160.5 Ų60.531%0.31336%0.363SS..EExtended strand (participates in β ladder)trans-113.3151.9-17965.50000110.7I263 N264 E266I263-T280 CarbonylContact C-O 3.59Å; I263-T280 WeakPolarHBondContact CA-O 3.21Å; I263-T280 WeakPolarHBondContact CB-O 3.19Å; N264-T280 PolarHBondContact N-O 3.36Å; N264-T280 PolarHBondContact O-N 3Å; E266-T280 PolarHBondContact OE1-OG1 2.83Å; E266-T280 VanDerWaalsContact OE1-OG1 3.12Å
281S79Confident76.6Confident44 Ų4459.8 Ų59.831%0.30835%0.352SS..  trans-140.9142.2175.1-168.80000111.2G262 Q283G262-S281 PolarHBondContact O-OG 3.13Å; G262-S281 VanDerWaalsContact O-OG 3.05Å; S281-Q283 PolarHBondContact OG-N 3.42Å; S281-Q283 PolarHBondContact OG-O 3.48Å
282S66.9Low77.3Confident119 Ų11964 Ų6483%0.83237%0.366SS*.SBendtrans-94.2-5.7175.857.50000113.3
283Q64.5Low78.6Confident164 Ų16459 Ų5977%0.76633%0.334SS*.SBendtrans-139.6-168.6177.8-63-168.54.300110.1S281 G285S281-Q283 PolarHBondContact OG-N 3.42Å; S281-Q283 PolarHBondContact OG-O 3.48Å; Q283-G285 PolarHBondContact O-N 2.96Å
284S63.8Low79.5Confident130 Ų13055.1 Ų55.191%0.90931%0.313SS*.SBendtrans-76.749.5179.364.60000113
285G65.7Low80Confident22 Ų2253.9 Ų53.923%0.22731%0.311CS..  trans-71.6144.2174.800000111.9Q283 L287Q283-G285 PolarHBondContact O-N 2.96Å; G285-L287 PolarHBondContact O-N 3.44Å; G285-L287 VanDerWaalsContact O-N 3.15Å
286D79.1Confident80Confident91 Ų9157.4 Ų57.449%0.48734%0.336SS..  trans-82.392.7179.6-168.1-23.3000110.5E288 A289 A290D286-E288 PolarHBondContact OD1-N 2.71Å; D286-A289 HydrophobicContact CB-CB 3.98Å; D286-A289 WeakPolarHBondContact OD1-CB 3.34Å; D286-A289 PolarHBondContact OD1-N 3.49Å; D286-A289 WeakPolarHBondContact OD2-CB 3.36Å; D286-A290 WeakPolarHBondContact O-CB 3.39Å; D286-A290 PolarHBondContact O-N 3.36Å
287L81.8Confident80.2Confident67 Ų6758.4 Ų58.435%0.35134%0.34SS..Hα-helixtrans-64-38.6-178.6-67.3173.4000112.4I263 F279 G285 A290 R291I263-L287 HydrophobicContact CB-CD2 4.41Å; I263-L287 HydrophobicContact CG2-CD2 3.99Å; F279-L287 HydrophobicContact CB-CD2 4.11Å; F279-L287 WeakPolarHBondContact O-CD2 3.14Å; G285-L287 PolarHBondContact O-N 3.44Å; G285-L287 VanDerWaalsContact O-N 3.15Å; L287-A290 PolarHBondContact O-N 2.95Å; L287-R291 WeakPolarHBondContact O-CB 3.36Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.31Å
288E80.9Confident80.1Confident115 Ų11559.5 Ų59.554%0.53735%0.345SS..Hα-helixtrans-71.5-44.5-179.4-70.2-58.6148.900110.9D286 A290 R291 E292D286-E288 PolarHBondContact OD1-N 2.71Å; E288-A290 VanDerWaalsContact C-N 3.26Å; E288-A290 PolarHBondContact O-N 3.19Å; E288-R291 PolarHBondContact O-N 2.9Å; E288-R291 VanDerWaalsContact O-N 3.12Å; E288-E292 PolarHBondContact O-N 3.44Å
289A83.8Confident80.1Confident28 Ų2862.6 Ų62.623%0.23136%0.358CS..Hα-helixtrans-62.2-33.5174.600000112.7F261 D286 S293F261-A289 HydrophobicContact CD1-CB 4.15Å; F261-A289 HydrophobicContact CE1-CB 3.69Å; F261-A289 HydrophobicContact CZ-CB 4.4Å; D286-A289 HydrophobicContact CB-CB 3.98Å; D286-A289 WeakPolarHBondContact OD1-CB 3.34Å; D286-A289 PolarHBondContact OD1-N 3.49Å; D286-A289 WeakPolarHBondContact OD2-CB 3.36Å; A289-S293 WeakPolarHBondContact O-CB 3.29Å; A289-S293 PolarHBondContact O-N 3.02Å
290A84.9Confident79.9Confident0 Ų068.3 Ų68.30%038%0.383CS..Hα-helixtrans-67.2-42.517300000112.3I257 F261 I263 F279 D286 L287 E288 S293 F294I257-A290 HydrophobicContact CG2-CB 4.29Å; F261-A290 HydrophobicContact CB-CB 3.92Å; F261-A290 HydrophobicContact CD2-CB 3.84Å; F261-A290 HydrophobicContact CG-CB 3.86Å; I263-A290 HydrophobicContact CD1-CB 4.14Å; I263-A290 HydrophobicContact CG1-CB 3.77Å; F279-A290 HydrophobicContact CD1-CB 4.2Å; D286-A290 WeakPolarHBondContact O-CB 3.39Å; D286-A290 PolarHBondContact O-N 3.36Å; L287-A290 PolarHBondContact O-N 2.95Å; E288-A290 VanDerWaalsContact C-N 3.26Å; E288-A290 PolarHBondContact O-N 3.19Å; A290-S293 PolarHBondContact O-N 2.91Å; A290-F294 WeakPolarHBondContact O-CB 3.11Å; A290-F294 PolarHBondContact O-N 2.93Å
291R84Confident79.8Confident37 Ų3767.6 Ų67.614%0.1438%0.377CS..Hα-helixtrans-66.3-45.5177.1-71.4172.596.4164.88.4112N234 F279 L287 E288 S293 F294 A295N234-R291 VanDerWaalsContact C-NH2 3.31Å; N234-R291 PolarHBondContact O-NH2 2.98Å; F279-R291 HydrophobicContact CB-CG 4.23Å; F279-R291 HydrophobicContact CD1-CG 3.76Å; F279-R291 HydrophobicContact CD2-CG 3.68Å; F279-R291 HydrophobicContact CE1-CG 3.99Å; F279-R291 HydrophobicContact CE2-CG 3.92Å; F279-R291 HydrophobicContact CG-CG 3.61Å; F279-R291 HydrophobicContact CZ-CG 4.08Å; L287-R291 WeakPolarHBondContact O-CB 3.36Å; L287-R291 WeakPolarHBondContact O-CG 3.45Å; L287-R291 PolarHBondContact O-N 3.31Å; E288-R291 PolarHBondContact O-N 2.9Å; E288-R291 VanDerWaalsContact O-N 3.12Å; R291-S293 VanDerWaalsContact C-N 3.35Å; R291-S293 PolarHBondContact O-N 3.25Å; R291-F294 PolarHBondContact O-N 2.86Å; R291-A295 WeakPolarHBondContact O-CB 3.46Å; R291-A295 PolarHBondContact O-N 3.49Å
292E83.9Confident80Confident142 Ų14266.2 Ų66.266%0.66437%0.367SS*.Hα-helixtrans-61.4-42.6173.4-71.6-169.9163.700111.6E288 F294 A295 S296E288-E292 PolarHBondContact O-N 3.44Å; E292-F294 VanDerWaalsContact C-N 3.33Å; E292-F294 PolarHBondContact O-N 3.46Å; E292-A295 PolarHBondContact O-N 2.88Å; E292-S296 VanDerWaalsContact O-CB 3.31Å; E292-S296 WeakPolarHBondContact O-CB 3.38Å; E292-S296 PolarHBondContact O-N 2.98Å
293S85.7Confident80.5Confident28 Ų2867 Ų6720%0.19636%0.357CS..Hα-helixtrans-65.4-35.2176.8-172.70000112.6A289 A290 R291 E297A289-S293 WeakPolarHBondContact O-CB 3.29Å; A289-S293 PolarHBondContact O-N 3.02Å; A290-S293 PolarHBondContact O-N 2.91Å; R291-S293 VanDerWaalsContact C-N 3.35Å; R291-S293 PolarHBondContact O-N 3.25Å; S293-E297 PolarHBondContact O-N 3.27Å
294F88.8Confident81.2Confident0 Ų063 Ų630%035%0.345CS..Hα-helixtrans-68.7-51.7172.1177.8-91.8000110.9F236 V238 F243 F246 I257 L277 F279 A290 R291 E292 S296 E297 F298F236-F294 AromaticContact CD1-CD1 3.97Å; F236-F294 HydrophobicContact CD1-CD1 3.97Å; F236-F294 AromaticContact CD1-CE1 3.87Å; F236-F294 HydrophobicContact CD1-CE1 3.87Å; F236-F294 AromaticContact CE1-CD1 3.79Å; F236-F294 HydrophobicContact CE1-CD1 3.79Å; F236-F294 AromaticContact CE1-CE1 3.69Å; F236-F294 HydrophobicContact CE1-CE1 3.69Å; F236-F294 HydrophobicContact CZ-CD1 4.44Å; V238-F294 HydrophobicContact CG1-CE1 4.23Å; F243-F294 HydrophobicContact CD2-CZ 4.41Å; F243-F294 HydrophobicContact CE2-CZ 4.19Å; F246-F294 HydrophobicContact CD1-CE2 4.33Å; F246-F294 AromaticContact CE1-CE2 3.76Å; F246-F294 HydrophobicContact CE1-CE2 3.76Å; F246-F294 HydrophobicContact CE1-CZ 4.45Å; F246-F294 HydrophobicContact CZ-CE2 4.27Å; I257-F294 HydrophobicContact CD1-CB 4.07Å; I257-F294 HydrophobicContact CD1-CD2 4.12Å; L277-F294 HydrophobicContact CD1-CD1 4.3Å; L277-F294 HydrophobicContact CD1-CE1 3.42Å; L277-F294 VanDerWaalsContact CD1-CE1 3.42Å; L277-F294 HydrophobicContact CD1-CE2 4.21Å; L277-F294 HydrophobicContact CD1-CZ 3.36Å; F279-F294 HydrophobicContact CE1-CB 4.05Å; F279-F294 HydrophobicContact CZ-CB 3.8Å; F279-F294 HydrophobicContact CZ-CD1 4.17Å; F279-F294 AromaticContact CZ-CG 3.92Å; F279-F294 HydrophobicContact CZ-CG 3.92Å; A290-F294 WeakPolarHBondContact O-CB 3.11Å; A290-F294 PolarHBondContact O-N 2.93Å; R291-F294 PolarHBondContact O-N 2.86Å; E292-F294 VanDerWaalsContact C-N 3.33Å; E292-F294 PolarHBondContact O-N 3.46Å; F294-S296 VanDerWaalsContact C-N 3.31Å; F294-S296 PolarHBondContact O-N 2.82Å; F294-E297 PolarHBondContact O-N 2.89Å; F294-F298 HydrophobicContact CD1-CB 4.29Å; F294-F298 HydrophobicContact CE1-CB 3.86Å; F294-F298 HydrophobicContact CE1-CD2 4.1Å; F294-F298 AromaticContact CE1-CG 3.99Å; F294-F298 HydrophobicContact CE1-CG 3.99Å; F294-F298 HydrophobicContact CZ-CB 4.06Å; F294-F298 AromaticContact CZ-CD2 3.75Å; F294-F298 HydrophobicContact CZ-CD2 3.75Å; F294-F298 HydrophobicContact CZ-CG 4.08Å; F294-F298 WeakPolarHBondContact O-CB 3.41Å; F294-F298 PolarHBondContact O-N 2.86Å
295A84.3Confident82.2Confident28 Ų2857.3 Ų57.323%0.23131%0.305CS..Hα-helixtrans-56.7-43.9-178.300000111.9F236 R291 E292 Q299F236-A295 HydrophobicContact CE2-CB 3.88Å; F236-A295 HydrophobicContact CZ-CB 3.64Å; R291-A295 WeakPolarHBondContact O-CB 3.46Å; R291-A295 PolarHBondContact O-N 3.49Å; E292-A295 PolarHBondContact O-N 2.88Å; A295-Q299 WeakPolarHBondContact O-CB 3.42Å; A295-Q299 PolarHBondContact O-N 2.94Å
296S83.4Confident83Confident77 Ų7761.1 Ų61.154%0.53832%0.315SS..Hα-helixtrans-63.2-47.5178.1-173.80000112.7E292 F294 K300E292-S296 VanDerWaalsContact O-CB 3.31Å; E292-S296 WeakPolarHBondContact O-CB 3.38Å; E292-S296 PolarHBondContact O-N 2.98Å; F294-S296 VanDerWaalsContact C-N 3.31Å; F294-S296 PolarHBondContact O-N 2.82Å; S296-K300 WeakPolarHBondContact O-CB 3.3Å; S296-K300 PolarHBondContact O-N 3.19Å
297E84.9Confident83.2Confident31 Ų3160.8 Ų60.815%0.14531%0.311CS..Hα-helixtrans-73.8-33.5-179.6-167.377.3157.200111.5F246 K253 S293 F294 K300 N301F246-E297 HydrophobicContact CE2-CG 4.28Å; F246-E297 HydrophobicContact CZ-CG 4.47Å; K253-E297 HydrophobicContact CD-CG 4.45Å; K253-E297 VanDerWaalsContact CE-OE1 3.31Å; K253-E297 WeakPolarHBondContact CE-OE1 3.47Å; K253-E297 IonicContact NZ-OE1 2.67Å; K253-E297 PolarHBondContact NZ-OE1 2.89Å; S293-E297 PolarHBondContact O-N 3.27Å; F294-E297 PolarHBondContact O-N 2.89Å; E297-K300 WeakPolarHBondContact OE2-CD 3.36Å; E297-K300 IonicContact OE2-NZ 2.91Å; E297-K300 PolarHBondContact OE2-NZ 3.2Å; E297-N301 PolarHBondContact O-N 3.19Å; E297-N301 PolarHBondContact O-ND2 3.32Å
298F85.6Confident83.1Confident23 Ų2360.1 Ų60.110%0.10131%0.306CS..Hα-helixtrans-63.3-54.5173-176.1-97.3000110.9V238 F243 F246 F294 K300 N301 T302V238-F298 HydrophobicContact CB-CE1 4.07Å; V238-F298 HydrophobicContact CB-CE2 4.27Å; V238-F298 HydrophobicContact CB-CZ 3.71Å; V238-F298 HydrophobicContact CG1-CD1 4.06Å; V238-F298 HydrophobicContact CG1-CE1 3.65Å; V238-F298 HydrophobicContact CG1-CE2 4.19Å; V238-F298 HydrophobicContact CG1-CZ 3.72Å; V238-F298 HydrophobicContact CG2-CZ 4.44Å; F243-F298 HydrophobicContact CB-CE2 4.39Å; F243-F298 HydrophobicContact CD2-CE2 4.24Å; F246-F298 HydrophobicContact CB-CD2 3.98Å; F246-F298 HydrophobicContact CB-CE2 3.95Å; F246-F298 HydrophobicContact CD1-CD2 4.25Å; F246-F298 AromaticContact CD2-CD2 3.93Å; F246-F298 HydrophobicContact CD2-CD2 3.93Å; F246-F298 HydrophobicContact CE2-CB 4.42Å; F246-F298 HydrophobicContact CE2-CD2 4.49Å; F246-F298 AromaticContact CG-CD2 3.79Å; F246-F298 HydrophobicContact CG-CD2 3.79Å; F246-F298 HydrophobicContact CG-CE2 4.27Å; F294-F298 HydrophobicContact CD1-CB 4.29Å; F294-F298 HydrophobicContact CE1-CB 3.86Å; F294-F298 HydrophobicContact CE1-CD2 4.1Å; F294-F298 AromaticContact CE1-CG 3.99Å; F294-F298 HydrophobicContact CE1-CG 3.99Å; F294-F298 HydrophobicContact CZ-CB 4.06Å; F294-F298 AromaticContact CZ-CD2 3.75Å; F294-F298 HydrophobicContact CZ-CD2 3.75Å; F294-F298 HydrophobicContact CZ-CG 4.08Å; F294-F298 WeakPolarHBondContact O-CB 3.41Å; F294-F298 PolarHBondContact O-N 2.86Å; F298-K300 PolarHBondContact O-N 3.16Å; F298-N301 PolarHBondContact O-N 2.9Å; F298-N301 VanDerWaalsContact O-N 3.15Å; F298-T302 HydrophobicContact CD1-CG2 4.44Å; F298-T302 HydrophobicContact CD2-CG2 4.17Å; F298-T302 HydrophobicContact CE1-CG2 4.15Å; F298-T302 HydrophobicContact CE2-CG2 3.86Å; F298-T302 HydrophobicContact CG-CG2 4.45Å; F298-T302 HydrophobicContact CZ-CG2 3.85Å; F298-T302 WeakPolarHBondContact O-CB 3.24Å; F298-T302 WeakPolarHBondContact O-CG2 3.25Å; F298-T302 PolarHBondContact O-N 3.18Å; F298-T302 PolarHBondContact O-OG1 3.29Å
299Q82.7Confident83Confident101 Ų10157.3 Ų57.347%0.47230%0.298SS..Hα-helixtrans-55.9-51178.1-179.7176.8-8.200111A295 N301 T302 E303A295-Q299 WeakPolarHBondContact O-CB 3.42Å; A295-Q299 PolarHBondContact O-N 2.94Å; Q299-N301 PolarHBondContact O-N 3Å; Q299-N301 VanDerWaalsContact O-N 3.09Å; Q299-T302 PolarHBondContact O-N 2.88Å; Q299-E303 HydrophobicContact CG-CB 4.08Å; Q299-E303 VanDerWaalsContact CG-OE2 3.26Å; Q299-E303 WeakPolarHBondContact CG-OE2 3.31Å; Q299-E303 PolarHBondContact NE2-OE1 2.86Å; Q299-E303 PolarHBondContact NE2-OE2 3.03Å; Q299-E303 WeakPolarHBondContact O-CB 3.18Å; Q299-E303 PolarHBondContact O-N 3.33Å
300K82.9Confident82.9Confident136 Ų13657.2 Ų57.259%0.59130%0.295SS*.Hα-helixtrans-54.2-31.7178.3176.7-179.1162.6-1580114.5S296 E297 F298S296-K300 WeakPolarHBondContact O-CB 3.3Å; S296-K300 PolarHBondContact O-N 3.19Å; E297-K300 WeakPolarHBondContact OE2-CD 3.36Å; E297-K300 IonicContact OE2-NZ 2.91Å; E297-K300 PolarHBondContact OE2-NZ 3.2Å; F298-K300 PolarHBondContact O-N 3.16Å
301N79.7Confident82.7Confident37 Ų3761.3 Ų61.320%0.19832%0.323CS..Hα-helixtrans-92.5-18.7178-74.8-78.5000113.7F246 E297 F298 Q299 L305F246-N301 HydrophobicContact CD2-CB 4.1Å; F246-N301 HydrophobicContact CE2-CB 4.46Å; E297-N301 PolarHBondContact O-N 3.19Å; E297-N301 PolarHBondContact O-ND2 3.32Å; F298-N301 PolarHBondContact O-N 2.9Å; F298-N301 VanDerWaalsContact O-N 3.15Å; Q299-N301 PolarHBondContact O-N 3Å; Q299-N301 VanDerWaalsContact O-N 3.09Å; N301-L305 WeakPolarHBondContact O-CD1 3.36Å; N301-L305 WeakPolarHBondContact O-CG 3.17Å
302T81.9Confident82.4Confident14 Ų1460.7 Ų60.79%0.08632%0.323CS..Hα-helixtrans-113.9-28.1-170.457.60000115.2Y242 F298 Q299 P304 L305Y242-T302 HydrophobicContact CD1-CG2 4.49Å; F298-T302 HydrophobicContact CD1-CG2 4.44Å; F298-T302 HydrophobicContact CD2-CG2 4.17Å; F298-T302 HydrophobicContact CE1-CG2 4.15Å; F298-T302 HydrophobicContact CE2-CG2 3.86Å; F298-T302 HydrophobicContact CG-CG2 4.45Å; F298-T302 HydrophobicContact CZ-CG2 3.85Å; F298-T302 WeakPolarHBondContact O-CB 3.24Å; F298-T302 WeakPolarHBondContact O-CG2 3.25Å; F298-T302 PolarHBondContact O-N 3.18Å; F298-T302 PolarHBondContact O-OG1 3.29Å; Q299-T302 PolarHBondContact O-N 2.88Å; T302-P304 VanDerWaalsContact C-CD 3.44Å; T302-L305 HydrophobicContact CG2-CD1 4.25Å; T302-L305 VanDerWaalsContact O-CB 3.31Å; T302-L305 WeakPolarHBondContact O-CB 3.48Å; T302-L305 WeakPolarHBondContact O-CG 3.4Å; T302-L305 PolarHBondContact O-N 2.8Å; T302-L305 VanDerWaalsContact O-N 3.07Å
303E79Confident81.7Confident136 Ų13658.1 Ų58.164%0.63633%0.325SS*.THydrogen-bonded Turntrans-56.5-37.7177.5-174.2168.1-157.200115.1Q299 L305Q299-E303 HydrophobicContact CG-CB 4.08Å; Q299-E303 VanDerWaalsContact CG-OE2 3.26Å; Q299-E303 WeakPolarHBondContact CG-OE2 3.31Å; Q299-E303 PolarHBondContact NE2-OE1 2.86Å; Q299-E303 PolarHBondContact NE2-OE2 3.03Å; Q299-E303 WeakPolarHBondContact O-CB 3.18Å; Q299-E303 PolarHBondContact O-N 3.33Å; E303-L305 VanDerWaalsContact C-N 3.27Å; E303-L305 PolarHBondContact O-N 3.41Å
304P78.3Confident81.1Confident79 Ų7960.4 Ų60.451%0.51334%0.336SS..THydrogen-bonded Turntrans-82.70.917734.2-36.4000113.9T302T302-P304 VanDerWaalsContact C-CD 3.44Å
305L85Confident80.2Confident12 Ų1263.1 Ų63.16%0.06336%0.355CS..EExtended strand (participates in β ladder)trans-88.2153.4-173.1-52.1-179.2000112.4Y242 Y245 N301 T302 E303 L344 G345 T346Y242-L305 HydrophobicContact CD1-CB 4.24Å; Y242-L305 HydrophobicContact CD1-CD1 4.2Å; Y242-L305 HydrophobicContact CE1-CB 3.95Å; Y245-L305 HydrophobicContact CD1-CD1 3.22Å; Y245-L305 HydrophobicContact CD1-CG 4.48Å; Y245-L305 HydrophobicContact CD2-CD1 4.09Å; Y245-L305 HydrophobicContact CE1-CD1 3.29Å; Y245-L305 HydrophobicContact CE1-CD2 3.79Å; Y245-L305 HydrophobicContact CE1-CG 4.16Å; Y245-L305 HydrophobicContact CE2-CD1 4.16Å; Y245-L305 HydrophobicContact CE2-CD2 4.24Å; Y245-L305 HydrophobicContact CG-CD1 3.64Å; N301-L305 WeakPolarHBondContact O-CD1 3.36Å; N301-L305 WeakPolarHBondContact O-CG 3.17Å; T302-L305 HydrophobicContact CG2-CD1 4.25Å; T302-L305 VanDerWaalsContact O-CB 3.31Å; T302-L305 WeakPolarHBondContact O-CB 3.48Å; T302-L305 WeakPolarHBondContact O-CG 3.4Å; T302-L305 PolarHBondContact O-N 2.8Å; T302-L305 VanDerWaalsContact O-N 3.07Å; E303-L305 VanDerWaalsContact C-N 3.27Å; E303-L305 PolarHBondContact O-N 3.41Å; L305-L344 HydrophobicContact CB-CD1 4.13Å; L305-L344 HydrophobicContact CD1-CD1 4.44Å; L305-G345 CarbonylContact C-O 3.5Å; L305-G345 VanDerWaalsContact CA-O 3.31Å; L305-G345 WeakPolarHBondContact CA-O 3.07Å; L305-T346 HydrophobicContact CD2-CG2 4.48Å
306K82.9Confident79.7Confident101 Ų10170.2 Ų70.244%0.43938%0.38SS..EExtended strand (participates in β ladder)trans-132.4158.1168.7-69.8-178.2-178.8-177.60110.3L344 G345 I350K306-L344 WeakPolarHBondContact O-CA 3.13Å; K306-L344 VanDerWaalsContact O-CD1 3.23Å; K306-L344 WeakPolarHBondContact O-CD1 3.21Å; K306-G345 PolarHBondContact N-O 2.78Å; K306-G345 PolarHBondContact O-N 3.45Å; K306-I350 HydrophobicContact CB-CD1 4.01Å; K306-I350 WeakPolarHBondContact O-CD1 3.32Å
307Q82.4Confident79.5Confident85 Ų8568.8 Ų68.840%0.39737%0.365SS..EExtended strand (participates in β ladder)trans-113.4125171.1-170.2178.4-44.700109.4T342 L343 L344Q307-T342 HydrophobicContact CG-CG2 3.59Å; Q307-L343 WeakPolarHBondContact CA-O 3.31Å; Q307-L344 HydrophobicContact CB-CD1 4.23Å
308E79.7Confident79.1Confident53 Ų5367.3 Ų67.325%0.24836%0.358CS..EExtended strand (participates in β ladder)trans-135.8140.2175.6-64-169.3-142.800111.2L343 Q347 I350 K354E308-L343 PolarHBondContact N-O 2.9Å; E308-L343 WeakPolarHBondContact O-CB 3.4Å; E308-L343 PolarHBondContact O-N 3.43Å; E308-Q347 PolarHBondContact OE1-NE2 2.8Å; E308-I350 HydrophobicContact CB-CG2 3.97Å; E308-I350 HydrophobicContact CG-CG2 4.08Å; E308-K354 VanDerWaalsContact OE2-CE 3.3Å; E308-K354 WeakPolarHBondContact OE2-CE 3.25Å; E308-K354 IonicContact OE2-NZ 2.66Å; E308-K354 PolarHBondContact OE2-NZ 3.3Å
309C79.4Confident78.9Confident55 Ų5568.9 Ų68.937%0.37237%0.368SS..EExtended strand (participates in β ladder)trans-97.6155.7176.9-63.30000112.8E340 L341 K354C309-E340 HydrophobicContact CB-CG 4Å; C309-E340 VanDerWaalsContact CB-OE1 3.28Å; C309-E340 WeakPolarHBondContact CB-OE1 2.8Å; C309-L341 CarbonylContact C-O 3.49Å; C309-L341 VanDerWaalsContact CA-O 3.3Å; C309-L341 WeakPolarHBondContact CA-O 3.29Å; C309-K354 PolarHBondContact O-NZ 3.46Å
310V81.5Confident78.9Confident26 Ų2669.6 Ų69.616%0.15837%0.369CS..EExtended strand (participates in β ladder)trans-137.2113173.4-176.50000109.3L341 L343 K354 I357V310-L341 PolarHBondContact N-O 3.44Å; V310-L341 PolarHBondContact O-N 3.43Å; V310-L343 HydrophobicContact CG2-CD1 3.93Å; V310-K354 HydrophobicContact CG2-CD 4.24Å; V310-K354 HydrophobicContact CG2-CG 3.85Å; V310-I357 HydrophobicContact CB-CD1 4.35Å; V310-I357 HydrophobicContact CG1-CD1 4.04Å; V310-I357 HydrophobicContact CG1-CG2 4.35Å; V310-I357 HydrophobicContact CG2-CD1 4.22Å
311S80.1Confident79Confident86 Ų8663.6 Ų63.660%0.60134%0.343SS*.EExtended strand (participates in β ladder)trans-83.9130.5175.5-34.60000111
312L79Confident79.4Confident25 Ų2564.7 Ų64.713%0.13135%0.346CS..  trans-113.4177.2178.5-69.4165000111.1Q317 A318 F321 G339 L341 I357 L361L312-Q317 HydrophobicContact CB-CG 4.48Å; L312-A318 HydrophobicContact CB-CB 4.45Å; L312-A318 HydrophobicContact CD1-CB 3.89Å; L312-F321 HydrophobicContact CD1-CB 4.25Å; L312-F321 HydrophobicContact CD1-CD2 3.69Å; L312-F321 HydrophobicContact CD1-CG 4.36Å; L312-F321 HydrophobicContact CD2-CD2 4.03Å; L312-F321 HydrophobicContact CD2-CE2 4.1Å; L312-G339 WeakPolarHBondContact CB-O 3.49Å; L312-G339 PolarHBondContact N-O 3.01Å; L312-L341 HydrophobicContact CD1-CD1 3.73Å; L312-L341 HydrophobicContact CD1-CG 4.02Å; L312-I357 HydrophobicContact CD2-CG2 3.88Å; L312-L361 HydrophobicContact CD2-CD1 4.27Å
313A69.2Low79.5Confident87 Ų8770.3 Ų70.372%0.71937%0.371SS*.SBendtrans-71.3-33.4-174.100000113.2Q317A313-Q317 VanDerWaalsContact CB-OE1 3.29Å
314D72.8Confident79.8Confident77 Ų7767.1 Ų67.141%0.41236%0.357SS..SBendtrans-158.6166.3179.76874.9000112K316 Q317 A318D314-K316 VanDerWaalsContact C-N 3.31Å; D314-K316 PolarHBondContact O-N 3.11Å; D314-K316 VanDerWaalsContact OD1-CA 3.28Å; D314-K316 WeakPolarHBondContact OD1-CA 3.3Å; D314-K316 WeakPolarHBondContact OD1-CB 3.41Å; D314-K316 PolarHBondContact OD1-N 3.3Å; D314-Q317 PolarHBondContact O-N 2.98Å; D314-Q317 PolarHBondContact OD1-N 3.31Å; D314-A318 PolarHBondContact O-N 2.98Å
315S70.3Confident80.2Confident57 Ų5763.5 Ų63.540%0.39933%0.333SS..Hα-helixtrans-69-20.8-178.558.50000114.6N319S315-N319 WeakPolarHBondContact O-CB 3.3Å; S315-N319 PolarHBondContact O-N 2.62Å; S315-N319 PolarHBondContact O-ND2 2.79Å
316K73.8Confident80.1Confident176 Ų17665.6 Ų65.677%0.76534%0.344SS*.Hα-helixtrans-75.2-41.4173.6-56.3177.7178.9175.80110D314 N319 K320D314-K316 VanDerWaalsContact C-N 3.31Å; D314-K316 PolarHBondContact O-N 3.11Å; D314-K316 VanDerWaalsContact OD1-CA 3.28Å; D314-K316 WeakPolarHBondContact OD1-CA 3.3Å; D314-K316 WeakPolarHBondContact OD1-CB 3.41Å; D314-K316 PolarHBondContact OD1-N 3.3Å; K316-N319 PolarHBondContact O-N 3.26Å; K316-K320 WeakPolarHBondContact O-CB 3.33Å; K316-K320 PolarHBondContact O-N 3.49Å
317Q79Confident79.9Confident47 Ų4768.2 Ų68.222%0.2236%0.358CS..Hα-helixtrans-62.2-43.5172.2-172.8177.256.200111.2L312 A313 D314 K320 F321 L361L312-Q317 HydrophobicContact CB-CG 4.48Å; A313-Q317 VanDerWaalsContact CB-OE1 3.29Å; D314-Q317 PolarHBondContact O-N 2.98Å; D314-Q317 PolarHBondContact OD1-N 3.31Å; Q317-K320 PolarHBondContact O-N 2.88Å; Q317-F321 HydrophobicContact CG-CD2 3.91Å; Q317-F321 HydrophobicContact CG-CE2 3.83Å; Q317-F321 WeakPolarHBondContact O-CD2 3.39Å; Q317-F321 PolarHBondContact O-N 3.1Å; Q317-L361 VanDerWaalsContact NE2-CD2 3.3Å
318A76.8Confident79.9Confident0 Ų068.5 Ų68.50%036%0.359CS..Hα-helixtrans-62.2-48.4175.700000112.6L312 D314 K320 F321 K322 E336 L341L312-A318 HydrophobicContact CB-CB 4.45Å; L312-A318 HydrophobicContact CD1-CB 3.89Å; D314-A318 PolarHBondContact O-N 2.98Å; A318-K320 VanDerWaalsContact C-N 3.32Å; A318-K320 PolarHBondContact O-N 3.48Å; A318-F321 PolarHBondContact O-N 3.19Å; A318-K322 WeakPolarHBondContact O-CB 3.46Å; A318-K322 PolarHBondContact O-N 2.8Å; A318-E336 HydrophobicContact CB-CG 3.56Å; A318-L341 HydrophobicContact CB-CD2 4.02Å; A318-L341 HydrophobicContact CB-CG 4.12Å
319N80.4Confident80.2Confident56 Ų5667.3 Ų67.330%0.29935%0.353SS..Hα-helixtrans-64.2-34.2177.5-83-69.7000113.3S315 K316 Q323 E336S315-N319 WeakPolarHBondContact O-CB 3.3Å; S315-N319 PolarHBondContact O-N 2.62Å; S315-N319 PolarHBondContact O-ND2 2.79Å; K316-N319 PolarHBondContact O-N 3.26Å; N319-Q323 WeakPolarHBondContact O-CG 3.43Å; N319-Q323 PolarHBondContact O-N 2.95Å; N319-Q323 VanDerWaalsContact O-N 3.08Å; N319-E336 VanDerWaalsContact ND2-CD 3.26Å; N319-E336 PolarHBondContact ND2-OE2 3.4Å
320K83.6Confident80.3Confident117 Ų11769.1 Ų69.151%0.50936%0.363SS..Hα-helixtrans-60.2-51171-178.9-176.1168.2-1740111.2K316 Q317 A318 K322 Q323 E324K316-K320 WeakPolarHBondContact O-CB 3.33Å; K316-K320 PolarHBondContact O-N 3.49Å; Q317-K320 PolarHBondContact O-N 2.88Å; A318-K320 VanDerWaalsContact C-N 3.32Å; A318-K320 PolarHBondContact O-N 3.48Å; K320-K322 PolarHBondContact O-N 3.41Å; K320-Q323 PolarHBondContact O-N 3.23Å; K320-E324 WeakPolarHBondContact CE-OE1 3.47Å; K320-E324 IonicContact NZ-OE1 2.69Å; K320-E324 PolarHBondContact O-N 2.85Å
321F85.1Confident80.4Confident10 Ų1074 Ų744%0.04438%0.382CS..Hα-helixtrans-64-39.3178.8-84.1-58.7000112.9L312 Q317 A318 Q323 E324 L325 L341 I357 A360 L361L312-F321 HydrophobicContact CD1-CB 4.25Å; L312-F321 HydrophobicContact CD1-CD2 3.69Å; L312-F321 HydrophobicContact CD1-CG 4.36Å; L312-F321 HydrophobicContact CD2-CD2 4.03Å; L312-F321 HydrophobicContact CD2-CE2 4.1Å; Q317-F321 HydrophobicContact CG-CD2 3.91Å; Q317-F321 HydrophobicContact CG-CE2 3.83Å; Q317-F321 WeakPolarHBondContact O-CD2 3.39Å; Q317-F321 PolarHBondContact O-N 3.1Å; A318-F321 PolarHBondContact O-N 3.19Å; F321-Q323 VanDerWaalsContact C-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.33Å; F321-E324 PolarHBondContact O-N 3.38Å; F321-L325 HydrophobicContact CB-CD1 4.45Å; F321-L325 VanDerWaalsContact O-CB 3.29Å; F321-L325 WeakPolarHBondContact O-CB 3.47Å; F321-L325 WeakPolarHBondContact O-CD1 3.39Å; F321-L325 WeakPolarHBondContact O-CG 3.46Å; F321-L325 PolarHBondContact O-N 2.87Å; F321-L341 HydrophobicContact CB-CD1 3.72Å; F321-I357 HydrophobicContact CD1-CG1 4.08Å; F321-I357 HydrophobicContact CD2-CG2 4.47Å; F321-I357 HydrophobicContact CE1-CG1 4.48Å; F321-I357 HydrophobicContact CE2-CG2 4.28Å; F321-I357 HydrophobicContact CG-CG1 4.3Å; F321-I357 HydrophobicContact CZ-CG2 4.32Å; F321-A360 HydrophobicContact CE1-CB 3.41Å; F321-A360 VanDerWaalsContact CE1-CB 3.41Å; F321-A360 HydrophobicContact CZ-CB 3.59Å; F321-L361 HydrophobicContact CE2-CD2 4.18Å; F321-L361 HydrophobicContact CE2-CG 4.37Å; F321-L361 HydrophobicContact CZ-CD2 4.46Å; F321-L361 HydrophobicContact CZ-CG 4.3Å
322K87.8Confident80.8Confident60 Ų6069.9 Ų69.926%0.26135%0.353SS..Hα-helixtrans-55.2-45.5172.4177.3176.1173.4-172.50111.9A318 K320 N326 I334 E336 L341A318-K322 WeakPolarHBondContact O-CB 3.46Å; A318-K322 PolarHBondContact O-N 2.8Å; K320-K322 PolarHBondContact O-N 3.41Å; K322-N326 WeakPolarHBondContact O-CB 3.49Å; K322-N326 PolarHBondContact O-N 2.9Å; K322-N326 PolarHBondContact O-ND2 2.83Å; K322-N326 PolarHBondContact O-OD1 2.97Å; K322-I334 HydrophobicContact CB-CG2 4.13Å; K322-I334 VanDerWaalsContact CE-O 3.32Å; K322-I334 WeakPolarHBondContact CE-O 3.28Å; K322-I334 HydrophobicContact CG-CB 4.37Å; K322-I334 HydrophobicContact CG-CG2 3.91Å; K322-E336 HydrophobicContact CD-CB 3.86Å; K322-L341 HydrophobicContact CB-CD2 3.96Å
323Q83.1Confident81.1Confident131 Ų13170 Ų7061%0.61235%0.354SS*.Hα-helixtrans-65.5-46177.7-72.1176.6-0.800112.5N319 K320 F321 Q327N319-Q323 WeakPolarHBondContact O-CG 3.43Å; N319-Q323 PolarHBondContact O-N 2.95Å; N319-Q323 VanDerWaalsContact O-N 3.08Å; K320-Q323 PolarHBondContact O-N 3.23Å; F321-Q323 VanDerWaalsContact C-N 3.31Å; F321-Q323 PolarHBondContact O-N 3.33Å; Q323-Q327 WeakPolarHBondContact O-CG 3.31Å; Q323-Q327 PolarHBondContact O-N 2.77Å
324E84.9Confident82.1Confident70 Ų7066.2 Ų66.233%0.32732%0.321SS..Hα-helixtrans-65.2-39.7-179.9-71.3178.4-179.400112.6K320 F321 Q328K320-E324 WeakPolarHBondContact CE-OE1 3.47Å; K320-E324 IonicContact NZ-OE1 2.69Å; K320-E324 PolarHBondContact O-N 2.85Å; F321-E324 PolarHBondContact O-N 3.38Å; E324-Q328 VanDerWaalsContact O-CD 3.3Å
325L86.9Confident82.6Confident2 Ų266.7 Ų66.71%0.0132%0.32CS..Hα-helixtrans-75.5-40.8-179.8-65.5169.1000111.9F321 Q327 Q328 F329 I334 A353 K356 I357F321-L325 HydrophobicContact CB-CD1 4.45Å; F321-L325 VanDerWaalsContact O-CB 3.29Å; F321-L325 WeakPolarHBondContact O-CB 3.47Å; F321-L325 WeakPolarHBondContact O-CD1 3.39Å; F321-L325 WeakPolarHBondContact O-CG 3.46Å; F321-L325 PolarHBondContact O-N 2.87Å; L325-Q327 PolarHBondContact O-N 2.8Å; L325-Q328 PolarHBondContact O-N 2.79Å; L325-F329 HydrophobicContact CB-CD2 4.25Å; L325-F329 HydrophobicContact CD2-CD2 3.84Å; L325-F329 HydrophobicContact CD2-CE2 3.6Å; L325-F329 PolarHBondContact O-N 2.75Å; L325-I334 HydrophobicContact CB-CD1 3.25Å; L325-I334 HydrophobicContact CD1-CD1 4.02Å; L325-I334 HydrophobicContact CG-CD1 4.28Å; L325-A353 HydrophobicContact CD1-CB 4.47Å; L325-A353 HydrophobicContact CD2-CB 3.98Å; L325-K356 HydrophobicContact CD2-CB 4.32Å; L325-I357 HydrophobicContact CD1-CD1 3.8Å; L325-I357 HydrophobicContact CD1-CG1 3.84Å
326N83.3Confident83.3Confident57 Ų5766.1 Ų66.131%0.30531%0.311SS..Hα-helixtrans-58.9-28.2176.1-79-4.9000113K322 Q328 I334K322-N326 WeakPolarHBondContact O-CB 3.49Å; K322-N326 PolarHBondContact O-N 2.9Å; K322-N326 PolarHBondContact O-ND2 2.83Å; K322-N326 PolarHBondContact O-OD1 2.97Å; N326-Q328 VanDerWaalsContact C-N 3.28Å; N326-Q328 PolarHBondContact O-N 2.83Å; N326-I334 WeakPolarHBondContact OD1-CB 3.5Å; N326-I334 WeakPolarHBondContact OD1-CD1 3.31Å; N326-I334 WeakPolarHBondContact OD1-CG1 3.49Å
327Q79.1Confident83.5Confident156 Ų15666.1 Ų66.173%0.72931%0.311SS*.THydrogen-bonded Turntrans-73.2-18.8176.1-73.6176.2300113.7Q323 L325Q323-Q327 WeakPolarHBondContact O-CG 3.31Å; Q323-Q327 PolarHBondContact O-N 2.77Å; L325-Q327 PolarHBondContact O-N 2.8Å
328Q81.8Confident82.9Confident90 Ų9067.6 Ų67.642%0.42134%0.338SS..THydrogen-bonded Turntrans-118.1-35.3-167.6-65.71667.700112.4E324 L325 N326 K356E324-Q328 VanDerWaalsContact O-CD 3.3Å; L325-Q328 PolarHBondContact O-N 2.79Å; N326-Q328 VanDerWaalsContact C-N 3.28Å; N326-Q328 PolarHBondContact O-N 2.83Å; Q328-K356 VanDerWaalsContact CD-NZ 3.28Å
329F87.1Confident82.7Confident28 Ų2867.8 Ų67.812%0.12334%0.341CS..  trans-108.671.5179.3-58.9-80.2000109.1L325 K331 L332 D349 A352 A353 K356L325-F329 HydrophobicContact CB-CD2 4.25Å; L325-F329 HydrophobicContact CD2-CD2 3.84Å; L325-F329 HydrophobicContact CD2-CE2 3.6Å; L325-F329 PolarHBondContact O-N 2.75Å; F329-K331 PolarHBondContact O-N 2.83Å; F329-L332 HydrophobicContact CB-CB 3.56Å; F329-L332 HydrophobicContact CB-CD2 3.92Å; F329-L332 HydrophobicContact CB-CG 4.4Å; F329-L332 HydrophobicContact CG-CD2 4.19Å; F329-L332 WeakPolarHBondContact O-CB 3.33Å; F329-L332 PolarHBondContact O-N 2.81Å; F329-D349 HydrophobicContact CD1-CB 4.48Å; F329-A352 HydrophobicContact CE1-CB 3.58Å; F329-A352 HydrophobicContact CZ-CB 3.81Å; F329-A353 HydrophobicContact CD2-CB 4.15Å; F329-A353 HydrophobicContact CE2-CB 4.01Å; F329-A353 HydrophobicContact CZ-CB 4.32Å; F329-K356 HydrophobicContact CE2-CD 4.36Å
330T80.6Confident82.7Confident93 Ų9368.9 Ų68.957%0.57134%0.344SS*.THydrogen-bonded Turntrans-64.9-10.2-177.9580000114.1
331K83.6Confident82.8Confident129 Ų12963.3 Ų63.356%0.56132%0.319SS*.THydrogen-bonded Turntrans-10410173-63.9-174.3177.7-176.70113.7Y245 I249 F329Y245-K331 VanDerWaalsContact CE2-O 3.25Å; Y245-K331 WeakPolarHBondContact CE2-O 3.28Å; Y245-K331 PolarHBondContact OH-O 2.87Å; I249-K331 HydrophobicContact CD1-CB 4.42Å; F329-K331 PolarHBondContact O-N 2.83Å
332L87.7Confident82.8Confident0 Ų064.3 Ų64.30%033%0.326CS..  trans-114115.1-179.8-173.966.8000108.8F329 I334 L343 D349 I350 A353F329-L332 HydrophobicContact CB-CB 3.56Å; F329-L332 HydrophobicContact CB-CD2 3.92Å; F329-L332 HydrophobicContact CB-CG 4.4Å; F329-L332 HydrophobicContact CG-CD2 4.19Å; F329-L332 WeakPolarHBondContact O-CB 3.33Å; F329-L332 PolarHBondContact O-N 2.81Å; L332-I334 HydrophobicContact CD2-CD1 3.99Å; L332-I334 HydrophobicContact CD2-CG1 4.17Å; L332-I334 HydrophobicContact CG-CD1 4.29Å; L332-I334 HydrophobicContact CG-CG1 3.97Å; L332-I334 PolarHBondContact O-N 3.1Å; L332-L343 HydrophobicContact CD1-CB 4.27Å; L332-L343 HydrophobicContact CD2-CD2 4.33Å; L332-D349 HydrophobicContact CB-CB 4.49Å; L332-D349 HydrophobicContact CD1-CB 4.23Å; L332-I350 HydrophobicContact CD1-CG1 3.69Å; L332-A353 HydrophobicContact CD2-CB 3.46Å; L332-A353 VanDerWaalsContact CD2-CB 3.46Å
333L86.5Confident82.9Confident27 Ų2761.4 Ų61.414%0.14131%0.314CS..EExtended strand (participates in β ladder)trans-78.6121.4173.8-177.566.9000109E244 Y245 Y248 L344E244-L333 HydrophobicContact CB-CD2 4.19Å; Y245-L333 HydrophobicContact CD2-CB 3.79Å; Y248-L333 HydrophobicContact CD1-CB 4.43Å; Y248-L333 HydrophobicContact CD1-CD1 4.18Å; Y248-L333 HydrophobicContact CD2-CD1 4.25Å; Y248-L333 HydrophobicContact CG-CD1 3.98Å; L333-L344 HydrophobicContact CB-CB 4.35Å; L333-L344 HydrophobicContact CD2-CD2 4.42Å; L333-L344 PolarHBondContact N-O 3.5Å; L333-L344 PolarHBondContact O-N 2.65Å
334I89.2Confident83.1Confident7 Ų755.4 Ų55.44%0.03629%0.286CS..EExtended strand (participates in β ladder)trans-119.6117.8-177.6-51.6-179.3000110.8K322 L325 N326 L332 L341 T342 L343K322-I334 HydrophobicContact CB-CG2 4.13Å; K322-I334 VanDerWaalsContact CE-O 3.32Å; K322-I334 WeakPolarHBondContact CE-O 3.28Å; K322-I334 HydrophobicContact CG-CB 4.37Å; K322-I334 HydrophobicContact CG-CG2 3.91Å; L325-I334 HydrophobicContact CB-CD1 3.25Å; L325-I334 HydrophobicContact CD1-CD1 4.02Å; L325-I334 HydrophobicContact CG-CD1 4.28Å; N326-I334 WeakPolarHBondContact OD1-CB 3.5Å; N326-I334 WeakPolarHBondContact OD1-CD1 3.31Å; N326-I334 WeakPolarHBondContact OD1-CG1 3.49Å; L332-I334 HydrophobicContact CD2-CD1 3.99Å; L332-I334 HydrophobicContact CD2-CG1 4.17Å; L332-I334 HydrophobicContact CG-CD1 4.29Å; L332-I334 HydrophobicContact CG-CG1 3.97Å; L332-I334 PolarHBondContact O-N 3.1Å; I334-L341 HydrophobicContact CG2-CD2 4.12Å; I334-T342 WeakPolarHBondContact CA-O 3.49Å; I334-L343 HydrophobicContact CB-CD2 4.34Å; I334-L343 HydrophobicContact CD1-CD2 3.99Å; I334-L343 HydrophobicContact CG1-CD2 3.8Å; I334-L343 HydrophobicContact CG2-CD2 3.87Å
335K84.3Confident83.3Confident87 Ų8752.1 Ų52.138%0.37827%0.271SS..EExtended strand (participates in β ladder)trans-107.6149172.8-68.7-175.8164.7-168.30110.4E244 L341 T342E244-K335 IonicContact OE1-NZ 2.72Å; E244-K335 PolarHBondContact OE1-NZ 3.46Å; E244-K335 IonicContact OE2-NZ 2.82Å; E244-K335 PolarHBondContact OE2-NZ 3.22Å; K335-L341 CarbonylContact O-C 3.59Å; K335-L341 VanDerWaalsContact O-CA 3.3Å; K335-L341 WeakPolarHBondContact O-CA 3.27Å; K335-T342 PolarHBondContact N-O 3.04Å; K335-T342 PolarHBondContact O-N 3.49Å
336E85.4Confident83.2Confident46 Ų4654 Ų5422%0.21528%0.282CS..EExtended strand (participates in β ladder)trans-120.7135.6174.4-172.3-86.1140.900108.4A318 N319 K322 G338 G339 E340 L341A318-E336 HydrophobicContact CB-CG 3.56Å; N319-E336 VanDerWaalsContact ND2-CD 3.26Å; N319-E336 PolarHBondContact ND2-OE2 3.4Å; K322-E336 HydrophobicContact CD-CB 3.86Å; E336-G338 PolarHBondContact OE1-N 3.34Å; E336-G339 PolarHBondContact OE1-N 2.87Å; E336-E340 CarbonylContact C-O 3.27Å; E336-E340 WeakPolarHBondContact CA-O 3.43Å; E336-L341 HydrophobicContact CB-CD2 3.67Å; E336-L341 HydrophobicContact CG-CD2 3.81Å
337K76.8Confident83.3Confident176 Ų17654.3 Ų54.377%0.76528%0.282SS*.EExtended strand (participates in β ladder)trans-147.4104.5174.2-169.2177-176.9178.40109.6G339 E340K337-G339 PolarHBondContact O-N 3.29Å; K337-E340 PolarHBondContact N-O 2.97Å; K337-E340 PolarHBondContact O-N 3.36Å
338G67.1Low83.5Confident77 Ų7753 Ų5379%0.79428%0.28SS*.THydrogen-bonded Turntrans65.831170.700000115.1E336E336-G338 PolarHBondContact OE1-N 3.34Å
339G71.9Confident83.8Confident5 Ų550.5 Ų50.55%0.05227%0.269CS..THydrogen-bonded Turntrans91.5-1.3-175.400000114.9L312 E336 K337L312-G339 WeakPolarHBondContact CB-O 3.49Å; L312-G339 PolarHBondContact N-O 3.01Å; E336-G339 PolarHBondContact OE1-N 2.87Å; K337-G339 PolarHBondContact O-N 3.29Å
340E81.6Confident83.7Confident78 Ų7849.1 Ų49.136%0.36426%0.263SS..EExtended strand (participates in β ladder)trans-99.6136.2169.6-174.5165.3-127.800110.9C309 E336 K337C309-E340 HydrophobicContact CB-CG 4Å; C309-E340 VanDerWaalsContact CB-OE1 3.28Å; C309-E340 WeakPolarHBondContact CB-OE1 2.8Å; E336-E340 CarbonylContact C-O 3.27Å; E336-E340 WeakPolarHBondContact CA-O 3.43Å; K337-E340 PolarHBondContact N-O 2.97Å; K337-E340 PolarHBondContact O-N 3.36Å
341L84.7Confident83.8Confident0 Ų047.3 Ų47.30%026%0.255CS..EExtended strand (participates in β ladder)trans-103.4120.8170.4-67.3-177.5000110.6C309 V310 L312 A318 F321 K322 I334 K335 E336 I357C309-L341 CarbonylContact C-O 3.49Å; C309-L341 VanDerWaalsContact CA-O 3.3Å; C309-L341 WeakPolarHBondContact CA-O 3.29Å; V310-L341 PolarHBondContact N-O 3.44Å; V310-L341 PolarHBondContact O-N 3.43Å; L312-L341 HydrophobicContact CD1-CD1 3.73Å; L312-L341 HydrophobicContact CD1-CG 4.02Å; A318-L341 HydrophobicContact CB-CD2 4.02Å; A318-L341 HydrophobicContact CB-CG 4.12Å; F321-L341 HydrophobicContact CB-CD1 3.72Å; K322-L341 HydrophobicContact CB-CD2 3.96Å; I334-L341 HydrophobicContact CG2-CD2 4.12Å; K335-L341 CarbonylContact O-C 3.59Å; K335-L341 VanDerWaalsContact O-CA 3.3Å; K335-L341 WeakPolarHBondContact O-CA 3.27Å; E336-L341 HydrophobicContact CB-CD2 3.67Å; E336-L341 HydrophobicContact CG-CD2 3.81Å; L341-I357 HydrophobicContact CD1-CD1 4.45Å
342T86Confident83.9Confident31 Ų3143 Ų4319%0.1924%0.243CC..EExtended strand (participates in β ladder)trans-91.4120.9168.6-49.20000108.5Q307 I334 K335Q307-T342 HydrophobicContact CG-CG2 3.59Å; I334-T342 WeakPolarHBondContact CA-O 3.49Å; K335-T342 PolarHBondContact N-O 3.04Å; K335-T342 PolarHBondContact O-N 3.49Å
343L89.1Confident83.8Confident0 Ų043 Ų430%024%0.243CC..EExtended strand (participates in β ladder)trans-105.6123.7177.2-52.2179000108.7Q307 E308 V310 L332 I334 I350 A353 K354Q307-L343 WeakPolarHBondContact CA-O 3.31Å; E308-L343 PolarHBondContact N-O 2.9Å; E308-L343 WeakPolarHBondContact O-CB 3.4Å; E308-L343 PolarHBondContact O-N 3.43Å; V310-L343 HydrophobicContact CG2-CD1 3.93Å; L332-L343 HydrophobicContact CD1-CB 4.27Å; L332-L343 HydrophobicContact CD2-CD2 4.33Å; I334-L343 HydrophobicContact CB-CD2 4.34Å; I334-L343 HydrophobicContact CD1-CD2 3.99Å; I334-L343 HydrophobicContact CG1-CD2 3.8Å; I334-L343 HydrophobicContact CG2-CD2 3.87Å; L343-I350 HydrophobicContact CB-CG1 4.27Å; L343-I350 HydrophobicContact CD1-CG2 4.43Å; L343-A353 HydrophobicContact CD1-CB 4.23Å; L343-K354 HydrophobicContact CD1-CG 3.92Å
344L87.5Confident83.7Confident5 Ų544.6 Ų44.63%0.02625%0.248CC..EExtended strand (participates in β ladder)trans-128.1115.1177173.756.6000110.1P241 Y242 Y245 L305 K306 Q307 L333P241-L344 VanDerWaalsContact C-CD2 3.42Å; P241-L344 HydrophobicContact CB-CD2 3.75Å; P241-L344 WeakPolarHBondContact O-CD2 3.35Å; Y242-L344 HydrophobicContact CD1-CD1 4.22Å; Y242-L344 HydrophobicContact CE1-CD1 3.98Å; Y245-L344 HydrophobicContact CD2-CG 3.97Å; Y245-L344 WeakPolarHBondContact CD2-O 3.38Å; Y245-L344 WeakPolarHBondContact CE2-O 3.25Å; Y245-L344 HydrophobicContact CG-CG 4.36Å; L305-L344 HydrophobicContact CB-CD1 4.13Å; L305-L344 HydrophobicContact CD1-CD1 4.44Å; K306-L344 WeakPolarHBondContact O-CA 3.13Å; K306-L344 VanDerWaalsContact O-CD1 3.23Å; K306-L344 WeakPolarHBondContact O-CD1 3.21Å; Q307-L344 HydrophobicContact CB-CD1 4.23Å; L333-L344 HydrophobicContact CB-CB 4.35Å; L333-L344 HydrophobicContact CD2-CD2 4.42Å; L333-L344 PolarHBondContact N-O 3.5Å; L333-L344 PolarHBondContact O-N 2.65Å
345G88.7Confident83.3Confident0 Ų049.7 Ų49.70%027%0.272CS..EExtended strand (participates in β ladder)trans177.9-164.5-171.800000111.7L305 K306 I350L305-G345 CarbonylContact C-O 3.5Å; L305-G345 VanDerWaalsContact CA-O 3.31Å; L305-G345 WeakPolarHBondContact CA-O 3.07Å; K306-G345 PolarHBondContact N-O 2.78Å; K306-G345 PolarHBondContact O-N 3.45Å; G345-I350 WeakPolarHBondContact O-CD1 3.43Å
346T86.3Confident83.1Confident41 Ų4149.5 Ų49.525%0.25227%0.272SS..EExtended strand (participates in β ladder)trans-69.5158.417474.30000111.3L305 D348 D349 I350L305-T346 HydrophobicContact CD2-CG2 4.48Å; T346-D348 PolarHBondContact O-N 2.86Å; T346-D349 PolarHBondContact O-N 3.16Å; T346-D349 VanDerWaalsContact OG1-CG 3.22Å; T346-D349 PolarHBondContact OG1-N 3.01Å; T346-D349 VanDerWaalsContact OG1-N 3.15Å; T346-D349 PolarHBondContact OG1-OD2 3.17Å; T346-I350 WeakPolarHBondContact O-CB 3.39Å; T346-I350 WeakPolarHBondContact O-CD1 3.45Å; T346-I350 VanDerWaalsContact O-CG1 3.27Å; T346-I350 WeakPolarHBondContact O-CG1 3.36Å; T346-I350 PolarHBondContact O-N 3.34Å
347Q84.6Confident82.9Confident64 Ų6447.5 Ų47.530%0.29926%0.262SS..Hα-helixtrans-57.4-36.7175.4-175.571.176.800111.8E308 S351E308-Q347 PolarHBondContact OE1-NE2 2.8Å; Q347-S351 PolarHBondContact NE2-OG 3.22Å; Q347-S351 VanDerWaalsContact O-CB 3.25Å; Q347-S351 WeakPolarHBondContact O-CB 3.49Å; Q347-S351 PolarHBondContact O-N 3.3Å; Q347-S351 PolarHBondContact O-OG 2.79Å
348D83.5Confident82.7Confident129 Ų12942.3 Ų42.369%0.6925%0.248SC*.Hα-helixtrans-69-46.5-178.7-65.1-17.9000111T346 I350 S351 A352T346-D348 PolarHBondContact O-N 2.86Å; D348-I350 PolarHBondContact O-N 2.91Å; D348-S351 PolarHBondContact O-N 2.79Å; D348-A352 VanDerWaalsContact O-CB 3.3Å; D348-A352 WeakPolarHBondContact O-CB 3.29Å; D348-A352 PolarHBondContact O-N 3.29Å
349D86.8Confident82.7Confident37 Ų3742.5 Ų42.520%0.19823%0.228CC..Hα-helixtrans-61.2-43.9176.1-66.6-54.5000111.5F329 L332 T346 A353F329-D349 HydrophobicContact CD1-CB 4.48Å; L332-D349 HydrophobicContact CB-CB 4.49Å; L332-D349 HydrophobicContact CD1-CB 4.23Å; T346-D349 PolarHBondContact O-N 3.16Å; T346-D349 VanDerWaalsContact OG1-CG 3.22Å; T346-D349 PolarHBondContact OG1-N 3.01Å; T346-D349 VanDerWaalsContact OG1-N 3.15Å; T346-D349 PolarHBondContact OG1-OD2 3.17Å; D349-A353 VanDerWaalsContact O-CB 3.24Å; D349-A353 WeakPolarHBondContact O-CB 3.43Å; D349-A353 PolarHBondContact O-N 3.01Å
350I85.6Confident82.2Confident0 Ų043.6 Ų43.60%024%0.237CC..Hα-helixtrans-63.8-44.4177.3-68.7165.8000110.8K306 E308 L332 L343 G345 T346 D348 A353 K354K306-I350 HydrophobicContact CB-CD1 4.01Å; K306-I350 WeakPolarHBondContact O-CD1 3.32Å; E308-I350 HydrophobicContact CB-CG2 3.97Å; E308-I350 HydrophobicContact CG-CG2 4.08Å; L332-I350 HydrophobicContact CD1-CG1 3.69Å; L343-I350 HydrophobicContact CB-CG1 4.27Å; L343-I350 HydrophobicContact CD1-CG2 4.43Å; G345-I350 WeakPolarHBondContact O-CD1 3.43Å; T346-I350 WeakPolarHBondContact O-CB 3.39Å; T346-I350 WeakPolarHBondContact O-CD1 3.45Å; T346-I350 VanDerWaalsContact O-CG1 3.27Å; T346-I350 WeakPolarHBondContact O-CG1 3.36Å; T346-I350 PolarHBondContact O-N 3.34Å; D348-I350 PolarHBondContact O-N 2.91Å; I350-A353 PolarHBondContact O-N 3.3Å; I350-K354 HydrophobicContact CG2-CD 4.16Å; I350-K354 HydrophobicContact CG2-CG 4.46Å; I350-K354 WeakPolarHBondContact O-CB 3.47Å; I350-K354 VanDerWaalsContact O-CG 3.31Å; I350-K354 WeakPolarHBondContact O-CG 3.43Å; I350-K354 PolarHBondContact O-N 2.85Å
351S83.9Confident81.3Confident55 Ų5543.2 Ų43.239%0.38524%0.237SC..Hα-helixtrans-66.4-43.1-178.8-55.60000111.1Q347 D348 K354 Q355Q347-S351 PolarHBondContact NE2-OG 3.22Å; Q347-S351 VanDerWaalsContact O-CB 3.25Å; Q347-S351 WeakPolarHBondContact O-CB 3.49Å; Q347-S351 PolarHBondContact O-N 3.3Å; Q347-S351 PolarHBondContact O-OG 2.79Å; D348-S351 PolarHBondContact O-N 2.79Å; S351-K354 PolarHBondContact O-N 3.37Å; S351-Q355 WeakPolarHBondContact O-CB 3.43Å; S351-Q355 PolarHBondContact O-N 2.92Å
352A84.4Confident79.5Confident38 Ų3847 Ų4731%0.31426%0.259SS..Hα-helixtrans-65.1-41.5175.400000112.2F329 D348 Q355 K356F329-A352 HydrophobicContact CE1-CB 3.58Å; F329-A352 HydrophobicContact CZ-CB 3.81Å; D348-A352 VanDerWaalsContact O-CB 3.3Å; D348-A352 WeakPolarHBondContact O-CB 3.29Å; D348-A352 PolarHBondContact O-N 3.29Å; A352-Q355 PolarHBondContact O-N 3.09Å; A352-K356 WeakPolarHBondContact O-CB 3.42Å; A352-K356 PolarHBondContact O-N 3.48Å
353A85.6Confident77.4Confident0 Ų053 Ų530%028%0.283CS..Hα-helixtrans-63.4-44.3174.300000112L325 F329 L332 L343 D349 I350 K356 I357L325-A353 HydrophobicContact CD1-CB 4.47Å; L325-A353 HydrophobicContact CD2-CB 3.98Å; F329-A353 HydrophobicContact CD2-CB 4.15Å; F329-A353 HydrophobicContact CE2-CB 4.01Å; F329-A353 HydrophobicContact CZ-CB 4.32Å; L332-A353 HydrophobicContact CD2-CB 3.46Å; L332-A353 VanDerWaalsContact CD2-CB 3.46Å; L343-A353 HydrophobicContact CD1-CB 4.23Å; D349-A353 VanDerWaalsContact O-CB 3.24Å; D349-A353 WeakPolarHBondContact O-CB 3.43Å; D349-A353 PolarHBondContact O-N 3.01Å; I350-A353 PolarHBondContact O-N 3.3Å; A353-K356 PolarHBondContact O-N 2.74Å; A353-I357 WeakPolarHBondContact O-CG1 3.46Å; A353-I357 PolarHBondContact O-N 3.39Å
354K85.3Confident74.8Confident60 Ų6057.3 Ų57.326%0.26131%0.309SS..Hα-helixtrans-63.4-42.6175.6-77.3-173.3173.4-1570112.9E308 C309 V310 L343 I350 S351 K356 I357 S358E308-K354 VanDerWaalsContact OE2-CE 3.3Å; E308-K354 WeakPolarHBondContact OE2-CE 3.25Å; E308-K354 IonicContact OE2-NZ 2.66Å; E308-K354 PolarHBondContact OE2-NZ 3.3Å; C309-K354 PolarHBondContact O-NZ 3.46Å; V310-K354 HydrophobicContact CG2-CD 4.24Å; V310-K354 HydrophobicContact CG2-CG 3.85Å; L343-K354 HydrophobicContact CD1-CG 3.92Å; I350-K354 HydrophobicContact CG2-CD 4.16Å; I350-K354 HydrophobicContact CG2-CG 4.46Å; I350-K354 WeakPolarHBondContact O-CB 3.47Å; I350-K354 VanDerWaalsContact O-CG 3.31Å; I350-K354 WeakPolarHBondContact O-CG 3.43Å; I350-K354 PolarHBondContact O-N 2.85Å; S351-K354 PolarHBondContact O-N 3.37Å; K354-K356 VanDerWaalsContact C-N 3.29Å; K354-K356 PolarHBondContact O-N 2.7Å; K354-I357 PolarHBondContact O-N 3.14Å; K354-S358 PolarHBondContact O-N 2.89Å; K354-S358 PolarHBondContact O-OG 3.15Å
355Q80Confident72.2Confident114 Ų11461.6 Ų61.653%0.53334%0.338SS..Hα-helixtrans-58.5-45172.9178.3178.7-19.700110.2S351 A352 I357 S358 E359S351-Q355 WeakPolarHBondContact O-CB 3.43Å; S351-Q355 PolarHBondContact O-N 2.92Å; A352-Q355 PolarHBondContact O-N 3.09Å; Q355-I357 PolarHBondContact O-N 2.94Å; Q355-S358 CarbonylContact O-C 3.47Å; Q355-S358 WeakPolarHBondContact O-CA 3.46Å; Q355-S358 VanDerWaalsContact O-CB 3.31Å; Q355-S358 WeakPolarHBondContact O-CB 3.31Å; Q355-S358 PolarHBondContact O-N 3.24Å; Q355-S358 VanDerWaalsContact O-N 3.1Å; Q355-E359 HydrophobicContact CG-CG 4.36Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.3Å; Q355-E359 PolarHBondContact NE2-OE1 3.06Å; Q355-E359 WeakPolarHBondContact O-CG 3.26Å; Q355-E359 PolarHBondContact O-N 3.06Å
356K79.9Confident69.8Low84 Ų8464.2 Ų64.237%0.36535%0.353SS..Hα-helixtrans-66.8-38.3-179-164.9160.6-162.5158.10113.9L325 Q328 F329 A352 A353 K354 S358 E359 A360L325-K356 HydrophobicContact CD2-CB 4.32Å; Q328-K356 VanDerWaalsContact CD-NZ 3.28Å; F329-K356 HydrophobicContact CE2-CD 4.36Å; A352-K356 WeakPolarHBondContact O-CB 3.42Å; A352-K356 PolarHBondContact O-N 3.48Å; A353-K356 PolarHBondContact O-N 2.74Å; K354-K356 VanDerWaalsContact C-N 3.29Å; K354-K356 PolarHBondContact O-N 2.7Å; K356-S358 VanDerWaalsContact C-N 3.3Å; K356-S358 PolarHBondContact O-N 2.88Å; K356-E359 PolarHBondContact O-N 3.33Å; K356-A360 WeakPolarHBondContact O-CB 3.23Å; K356-A360 PolarHBondContact O-N 2.81Å
357I80.8Confident67.3Low3 Ų371.4 Ų71.42%0.01538%0.381CS..Hα-helixtrans-57.6-47.3169.5-65.8166.9000109.4V310 L312 F321 L325 L341 A353 K354 Q355 A360 L361V310-I357 HydrophobicContact CB-CD1 4.35Å; V310-I357 HydrophobicContact CG1-CD1 4.04Å; V310-I357 HydrophobicContact CG1-CG2 4.35Å; V310-I357 HydrophobicContact CG2-CD1 4.22Å; L312-I357 HydrophobicContact CD2-CG2 3.88Å; F321-I357 HydrophobicContact CD1-CG1 4.08Å; F321-I357 HydrophobicContact CD2-CG2 4.47Å; F321-I357 HydrophobicContact CE1-CG1 4.48Å; F321-I357 HydrophobicContact CE2-CG2 4.28Å; F321-I357 HydrophobicContact CG-CG1 4.3Å; F321-I357 HydrophobicContact CZ-CG2 4.32Å; L325-I357 HydrophobicContact CD1-CD1 3.8Å; L325-I357 HydrophobicContact CD1-CG1 3.84Å; L341-I357 HydrophobicContact CD1-CD1 4.45Å; A353-I357 WeakPolarHBondContact O-CG1 3.46Å; A353-I357 PolarHBondContact O-N 3.39Å; K354-I357 PolarHBondContact O-N 3.14Å; Q355-I357 PolarHBondContact O-N 2.94Å; I357-A360 PolarHBondContact O-N 2.92Å; I357-L361 HydrophobicContact CG2-CD1 3.89Å; I357-L361 HydrophobicContact CG2-CG 4.42Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.45Å; I357-L361 PolarHBondContact O-N 3.37Å
358S73.9Confident65Low67 Ų6769.9 Ų69.947%0.46938%0.375SS..Hα-helixtrans-60.5-48.4178.4-53.70000112.2K354 Q355 K356 A360 L361 V362K354-S358 PolarHBondContact O-N 2.89Å; K354-S358 PolarHBondContact O-OG 3.15Å; Q355-S358 CarbonylContact O-C 3.47Å; Q355-S358 WeakPolarHBondContact O-CA 3.46Å; Q355-S358 VanDerWaalsContact O-CB 3.31Å; Q355-S358 WeakPolarHBondContact O-CB 3.31Å; Q355-S358 PolarHBondContact O-N 3.24Å; Q355-S358 VanDerWaalsContact O-N 3.1Å; K356-S358 VanDerWaalsContact C-N 3.3Å; K356-S358 PolarHBondContact O-N 2.88Å; S358-A360 VanDerWaalsContact C-N 3.31Å; S358-A360 PolarHBondContact O-N 3.22Å; S358-L361 PolarHBondContact O-N 3.23Å; S358-V362 WeakPolarHBondContact O-CG2 3.36Å; S358-V362 PolarHBondContact O-N 2.98Å
359E66.9Low62.8Low82 Ų8271 Ų7138%0.38338%0.38SS..Hα-helixtrans-61.7-34.7177.9-73.8178-166.200113.5Q355 K356 V362 K363Q355-E359 HydrophobicContact CG-CG 4.36Å; Q355-E359 WeakPolarHBondContact CG-OE1 3.3Å; Q355-E359 PolarHBondContact NE2-OE1 3.06Å; Q355-E359 WeakPolarHBondContact O-CG 3.26Å; Q355-E359 PolarHBondContact O-N 3.06Å; K356-E359 PolarHBondContact O-N 3.33Å; E359-V362 WeakPolarHBondContact O-CB 3.34Å; E359-K363 WeakPolarHBondContact O-CG 3.35Å; E359-K363 PolarHBondContact O-N 3.01Å; E359-K363 VanDerWaalsContact O-N 3.17Å
360A62.1Low60.2Low27 Ų2773.9 Ų73.922%0.22340%0.399CS..Hα-helixtrans-77.3-33.4177.700000112.5F321 K356 I357 S358 K363 T364F321-A360 HydrophobicContact CE1-CB 3.41Å; F321-A360 VanDerWaalsContact CE1-CB 3.41Å; F321-A360 HydrophobicContact CZ-CB 3.59Å; K356-A360 WeakPolarHBondContact O-CB 3.23Å; K356-A360 PolarHBondContact O-N 2.81Å; I357-A360 PolarHBondContact O-N 2.92Å; S358-A360 VanDerWaalsContact C-N 3.31Å; S358-A360 PolarHBondContact O-N 3.22Å; A360-K363 PolarHBondContact O-N 3.15Å; A360-T364 PolarHBondContact O-OG1 3.41Å
361L61.6Low57.7Low70 Ų7076.6 Ų76.637%0.36643%0.427SS..Hα-helixtrans-64.4-42.1169.2-69.7170.2000110.8L312 Q317 F321 I357 S358 K363 T364L312-L361 HydrophobicContact CD2-CD1 4.27Å; Q317-L361 VanDerWaalsContact NE2-CD2 3.3Å; F321-L361 HydrophobicContact CE2-CD2 4.18Å; F321-L361 HydrophobicContact CE2-CG 4.37Å; F321-L361 HydrophobicContact CZ-CD2 4.46Å; F321-L361 HydrophobicContact CZ-CG 4.3Å; I357-L361 HydrophobicContact CG2-CD1 3.89Å; I357-L361 HydrophobicContact CG2-CG 4.42Å; I357-L361 VanDerWaalsContact O-CG 3.26Å; I357-L361 WeakPolarHBondContact O-CG 3.45Å; I357-L361 PolarHBondContact O-N 3.37Å; S358-L361 PolarHBondContact O-N 3.23Å; L361-K363 VanDerWaalsContact C-N 3.26Å; L361-K363 PolarHBondContact O-N 3.17Å; L361-T364 PolarHBondContact O-N 2.95Å; L361-T364 VanDerWaalsContact O-N 3.16Å
362V47.6Very low55.4Low79 Ų7981.2 Ų81.248%0.47945%0.447SS..Hα-helixtrans-57.2-35.1172.6162.20000112.6S358 E359 T364 C446S358-V362 WeakPolarHBondContact O-CG2 3.36Å; S358-V362 PolarHBondContact O-N 2.98Å; E359-V362 WeakPolarHBondContact O-CB 3.34Å; V362-T364 VanDerWaalsContact C-N 3.33Å; V362-T364 PolarHBondContact O-N 2.84Å; V362-C446 HydrophobicContact CG1-CB 4.12Å
363K41Very low53.3Low159 Ų15987.9 Ų87.969%0.69147%0.466SS*.THydrogen-bonded Turntrans-80.9-1.3179.3-75.4172.4-176.2167.60115.2E359 A360 L361 P365E359-K363 WeakPolarHBondContact O-CG 3.35Å; E359-K363 PolarHBondContact O-N 3.01Å; E359-K363 VanDerWaalsContact O-N 3.17Å; A360-K363 PolarHBondContact O-N 3.15Å; L361-K363 VanDerWaalsContact C-N 3.26Å; L361-K363 PolarHBondContact O-N 3.17Å; K363-P365 VanDerWaalsContact O-CD 3.29Å; K363-P365 WeakPolarHBondContact O-CD 3.3Å
364T35.7Very low51.5Low89 Ų8992.5 Ų92.555%0.54649%0.489SS..SBendtrans-90.4107.8-179.8-55.10000109.7A360 L361 V362 V366A360-T364 PolarHBondContact O-OG1 3.41Å; L361-T364 PolarHBondContact O-N 2.95Å; L361-T364 VanDerWaalsContact O-N 3.16Å; V362-T364 VanDerWaalsContact C-N 3.33Å; V362-T364 PolarHBondContact O-N 2.84Å; T364-V366 PolarHBondContact O-N 2.92Å
365P32.5Very low49.8Very low96 Ų9697.2 Ų97.262%0.62351%0.513SS*.  trans-65.6133-173.9-18.732.6000110.9K363 K367K363-P365 VanDerWaalsContact O-CD 3.29Å; K363-P365 WeakPolarHBondContact O-CD 3.3Å; P365-K367 PolarHBondContact O-N 3.03Å
366V37Very low48.9Very low54 Ų5497.6 Ų97.633%0.32752%0.519SS..  trans-60.4121.9166.5-177.70000107.4T364 L368T364-V366 PolarHBondContact O-N 2.92Å; V366-L368 HydrophobicContact CG1-CD2 4.49Å; V366-L368 PolarHBondContact O-N 2.84Å
367K34.6Very low48.4Very low193 Ų19394.9 Ų94.984%0.83952%0.515SS*.  trans-67.583.9174.4-83-175.4173.91780110.1P365 L369P365-K367 PolarHBondContact O-N 3.03Å; K367-L369 PolarHBondContact O-N 2.68Å
368L37Very low48.5Very low31 Ų3195.5 Ų95.516%0.16252%0.518CS..  trans-67.4118.1161.6-62.7178.6000107.4V366 T370 V380 I438 F441V366-L368 HydrophobicContact CG1-CD2 4.49Å; V366-L368 PolarHBondContact O-N 2.84Å; L368-T370 VanDerWaalsContact C-N 3.32Å; L368-T370 PolarHBondContact O-N 2.63Å; L368-V380 HydrophobicContact CD2-CG1 3.81Å; L368-I438 HydrophobicContact CD1-CB 4.43Å; L368-I438 HydrophobicContact CD1-CG1 4.07Å; L368-I438 HydrophobicContact CD1-CG2 3.98Å; L368-F441 HydrophobicContact CD1-CD1 4.5Å; L368-F441 HydrophobicContact CD2-CE1 4.4Å
369L36.3Very low48.9Very low152 Ų15296.2 Ų96.280%0.79651%0.514SS*.  trans-77.783.9179.2-73169.8000109.4K367 G371K367-L369 PolarHBondContact O-N 2.68Å; L369-G371 PolarHBondContact O-N 2.76Å
370T33.5Very low49.6Very low99 Ų9992.6 Ų92.661%0.60750%0.497SS*.  trans-69.585.1163.949.30000108.9L368 N372 I438L368-T370 VanDerWaalsContact C-N 3.32Å; L368-T370 PolarHBondContact O-N 2.63Å; T370-N372 PolarHBondContact O-N 3.01Å; T370-I438 HydrophobicContact CG2-CD1 4.42Å
371G32.3Very low50.5Low57 Ų5794.9 Ų94.959%0.58851%0.506SS*.  trans-57.5131.7165.300000109.2L369 Y373L369-G371 PolarHBondContact O-N 2.76Å; G371-Y373 PolarHBondContact O-N 2.91Å
372N34.9Very low51.4Low151 Ų15192 Ų9281%0.80749%0.492SS*.SBendtrans-51143.2175.1-70.2-17.6000110T370T370-N372 PolarHBondContact O-N 3.01Å
373Y39.8Very low52.8Low178 Ų17890.7 Ų90.770%0.69849%0.489SS*.SBendtrans77.193.2-167.8-50.2-77.8000114.4G371 M375G371-Y373 PolarHBondContact O-N 2.91Å; Y373-M375 VanDerWaalsContact C-N 3.33Å; Y373-M375 PolarHBondContact O-N 3.01Å
374M48.4Very low54.5Low98 Ų9888.8 Ų88.848%0.48348%0.478SS..SBendtrans-65.987.8166.7-80-170.4164.500110.8V431 Y434M374-V431 HydrophobicContact SD-CB 4.44Å; M374-V431 HydrophobicContact SD-CG1 4.07Å; M374-V431 HydrophobicContact SD-CG2 4.19Å; M374-Y434 HydrophobicContact CE-CD2 4.49Å; M374-Y434 HydrophobicContact CE-CG 4.4Å; M374-Y434 HydrophobicContact SD-CD2 4.04Å
375M50.6Low56.8Low158 Ų15884.7 Ų84.778%0.77845%0.452SS*.SBendtrans-141.2-3.9170-87.4-69.7165.100113.2Y373Y373-M375 VanDerWaalsContact C-N 3.33Å; Y373-M375 PolarHBondContact O-N 3.01Å
376N60Low59.2Low123 Ų12384.6 Ų84.666%0.65844%0.442SS*.SBendtrans-118.11.3-167.1-68.4-16.3000115.3C417N376-C417 PolarHBondContact O-SG 3.31Å; N376-C417 VanDerWaalsContact O-SG 3.34Å
377G70.6Confident61.4Low26 Ų2682.6 Ų82.627%0.26843%0.43SS..  trans79.2175.6-174.200000114.3V418G377-V418 CarbonylContact C-O 3.47Å; G377-V418 WeakPolarHBondContact CA-O 3.36Å
378I81.7Confident63.7Low16 Ų1673.4 Ų73.48%0.08239%0.39CS..EExtended strand (participates in β ladder)trans-94.8124.6177.1-65.6170.8000108.8V380 C417 V418 Y434 F437 I438I378-V380 HydrophobicContact CG2-CG1 4.25Å; I378-C417 CarbonylContact O-C 3.58Å; I378-C417 VanDerWaalsContact O-CA 3.29Å; I378-C417 WeakPolarHBondContact O-CA 3.28Å; I378-V418 PolarHBondContact N-O 2.93Å; I378-V418 PolarHBondContact O-N 3.29Å; I378-Y434 HydrophobicContact CD1-CD1 3.6Å; I378-Y434 HydrophobicContact CD1-CG 4.28Å; I378-Y434 HydrophobicContact CG1-CD1 3.76Å; I378-Y434 HydrophobicContact CG1-CE1 4.36Å; I378-F437 HydrophobicContact CB-CE1 4.47Å; I378-F437 HydrophobicContact CD1-CD1 3.62Å; I378-F437 HydrophobicContact CD1-CE1 4.35Å; I378-F437 HydrophobicContact CG2-CD1 4.39Å; I378-F437 HydrophobicContact CG2-CE1 4.11Å; I378-I438 HydrophobicContact CD1-CD1 4.02Å; I378-I438 HydrophobicContact CD1-CG1 3.65Å
379E83.9Confident65.9Low82 Ų8275.5 Ų75.538%0.38340%0.399SS..EExtended strand (participates in β ladder)trans-98128.7175-61.9-173.6165.700111.6K415 T416 C417E379-K415 HydrophobicContact CB-CD 3.9Å; E379-K415 HydrophobicContact CG-CD 4.42Å; E379-K415 VanDerWaalsContact OE2-CD 3.24Å; E379-K415 WeakPolarHBondContact OE2-CD 3.48Å; E379-K415 IonicContact OE2-NZ 3.13Å; E379-K415 PolarHBondContact OE2-NZ 2.88Å; E379-T416 WeakPolarHBondContact CA-O 2.69Å; E379-C417 HydrophobicContact CG-CB 4.48Å
380V81.6Confident68.1Low6 Ų672.2 Ų72.24%0.03639%0.385CS..EExtended strand (participates in β ladder)trans-128158.5174.2-66.60000110L368 I378 S382 Y385 K415 T416 F441L368-V380 HydrophobicContact CD2-CG1 3.81Å; I378-V380 HydrophobicContact CG2-CG1 4.25Å; V380-S382 PolarHBondContact O-N 2.86Å; V380-Y385 HydrophobicContact CG2-CD2 3.76Å; V380-Y385 HydrophobicContact CG2-CG 4.18Å; V380-K415 CarbonylContact O-C 3.51Å; V380-K415 WeakPolarHBondContact O-CA 3.2Å; V380-K415 WeakPolarHBondContact O-CB 3.28Å; V380-T416 WeakPolarHBondContact CG2-O 3.36Å; V380-T416 PolarHBondContact N-O 2.89Å; V380-T416 PolarHBondContact O-N 2.93Å; V380-F441 HydrophobicContact CB-CE1 4.47Å; V380-F441 HydrophobicContact CB-CE2 4.18Å; V380-F441 HydrophobicContact CB-CZ 3.88Å; V380-F441 HydrophobicContact CG1-CD1 4.24Å; V380-F441 HydrophobicContact CG1-CD2 4.3Å; V380-F441 HydrophobicContact CG1-CE1 3.81Å; V380-F441 HydrophobicContact CG1-CE2 3.88Å; V380-F441 HydrophobicContact CG1-CG 4.48Å; V380-F441 HydrophobicContact CG1-CZ 3.62Å; V380-F441 HydrophobicContact CG2-CE2 4.29Å; V380-F441 HydrophobicContact CG2-CZ 4.47Å
381D80.5Confident70.4Confident75 Ų7570.3 Ų70.340%0.40137%0.369SS..EExtended strand (participates in β ladder)trans-64.1130.3173173-88.2000110.7A383 R384 Y385D381-A383 VanDerWaalsContact C-N 3.33Å; D381-A383 PolarHBondContact O-N 3.08Å; D381-A383 WeakPolarHBondContact OD1-CA 3.49Å; D381-A383 WeakPolarHBondContact OD1-CB 3.49Å; D381-A383 PolarHBondContact OD1-N 3.48Å; D381-R384 HydrophobicContact CB-CB 4.19Å; D381-R384 HydrophobicContact CB-CG 4.21Å; D381-R384 PolarHBondContact O-N 2.87Å; D381-R384 PolarHBondContact OD1-N 2.84Å; D381-Y385 PolarHBondContact O-N 3.28Å
382S80.2Confident73Confident11 Ų1167.6 Ų67.68%0.07734%0.341CS..Hα-helixtrans-66.7-31.6-174.2-67.40000113.5V380 K386 Q414 K415 T416V380-S382 PolarHBondContact O-N 2.86Å; S382-K386 WeakPolarHBondContact O-CB 3.41Å; S382-K386 WeakPolarHBondContact O-CG 3.28Å; S382-K386 PolarHBondContact O-N 2.78Å; S382-K386 VanDerWaalsContact O-N 3.09Å; S382-Q414 PolarHBondContact N-O 2.68Å; S382-Q414 PolarHBondContact OG-O 3.32Å; S382-K415 WeakPolarHBondContact OG-CA 3.31Å; S382-K415 PolarHBondContact OG-N 2.86Å; S382-K415 PolarHBondContact OG-O 3.49Å; S382-T416 WeakPolarHBondContact CA-OG1 3.41Å; S382-T416 WeakPolarHBondContact CB-OG1 3.47Å; S382-T416 PolarHBondContact OG-N 3.3Å; S382-T416 PolarHBondContact OG-OG1 2.99Å
383A77.2Confident75.4Confident51 Ų5165 Ų6542%0.42133%0.326SS..Hα-helixtrans-70.4-41.2176.800000110.5D381 L387D381-A383 VanDerWaalsContact C-N 3.33Å; D381-A383 PolarHBondContact O-N 3.08Å; D381-A383 WeakPolarHBondContact OD1-CA 3.49Å; D381-A383 WeakPolarHBondContact OD1-CB 3.49Å; D381-A383 PolarHBondContact OD1-N 3.48Å; A383-L387 WeakPolarHBondContact O-CG 3.44Å; A383-L387 PolarHBondContact O-N 3.41Å
384R77Confident77.6Confident118 Ų11862.7 Ų62.745%0.44532%0.322SS..Hα-helixtrans-65.2-41172.9-70-173.6177.6-145.3-1.5113D381 L387D381-R384 HydrophobicContact CB-CB 4.19Å; D381-R384 HydrophobicContact CB-CG 4.21Å; D381-R384 PolarHBondContact O-N 2.87Å; D381-R384 PolarHBondContact OD1-N 2.84Å; R384-L387 PolarHBondContact O-N 2.87Å
385Y82.6Confident79.5Confident3 Ų361.2 Ų61.21%0.01231%0.314CS..Hα-helixtrans-61-47.2177.4-175.1-92.9000111.2V380 D381 L387 L388 E389 L392 V409 T416 V418 F437 F441V380-Y385 HydrophobicContact CG2-CD2 3.76Å; V380-Y385 HydrophobicContact CG2-CG 4.18Å; D381-Y385 PolarHBondContact O-N 3.28Å; Y385-L387 VanDerWaalsContact C-N 3.27Å; Y385-L387 PolarHBondContact O-N 2.77Å; Y385-L388 CarbonylContact O-C 3.44Å; Y385-L388 PolarHBondContact O-N 3.4Å; Y385-E389 HydrophobicContact CE1-CB 4.35Å; Y385-E389 HydrophobicContact CE1-CG 4.03Å; Y385-E389 PolarHBondContact O-N 3.13Å; Y385-L392 HydrophobicContact CD2-CD1 3.87Å; Y385-L392 HydrophobicContact CE2-CD1 3.9Å; Y385-V409 HydrophobicContact CE1-CG1 4.06Å; Y385-T416 HydrophobicContact CD1-CG2 3.83Å; Y385-T416 HydrophobicContact CD2-CG2 4.27Å; Y385-T416 HydrophobicContact CE1-CG2 4.06Å; Y385-T416 HydrophobicContact CE2-CG2 4.45Å; Y385-T416 HydrophobicContact CG-CG2 3.93Å; Y385-V418 HydrophobicContact CE2-CG2 3.94Å; Y385-F437 HydrophobicContact CE2-CZ 4.35Å; Y385-F441 HydrophobicContact CD2-CE2 4.37Å
386K83.5Confident81.4Confident94 Ų9453.9 Ų53.941%0.40928%0.278SS..Hα-helixtrans-60.7-30.9178.8-79169.4168.4159.20114S382 L388 E411S382-K386 WeakPolarHBondContact O-CB 3.41Å; S382-K386 WeakPolarHBondContact O-CG 3.28Å; S382-K386 PolarHBondContact O-N 2.78Å; S382-K386 VanDerWaalsContact O-N 3.09Å; K386-L388 PolarHBondContact O-N 3.36Å; K386-E411 WeakPolarHBondContact CE-OE1 3.47Å; K386-E411 IonicContact NZ-OE1 3.38Å; K386-E411 PolarHBondContact NZ-OE1 3.12Å; K386-E411 IonicContact NZ-OE2 2.63Å; K386-E411 PolarHBondContact NZ-OE2 2.79Å
387L82.4Confident82.9Confident13 Ų1351.5 Ų51.57%0.06827%0.271CS..Hα-helixtrans-69.3-19.3174.6-68.8175.3000114.3A383 R384 Y385 L448 H482 T493A383-L387 WeakPolarHBondContact O-CG 3.44Å; A383-L387 PolarHBondContact O-N 3.41Å; R384-L387 PolarHBondContact O-N 2.87Å; Y385-L387 VanDerWaalsContact C-N 3.27Å; Y385-L387 PolarHBondContact O-N 2.77Å; L387-L448 HydrophobicContact CB-CD2 4.21Å; L387-L448 HydrophobicContact CD1-CD2 4.47Å; L387-H482 HydrophobicContact CD1-CB 3.96Å; L387-H482 HydrophobicContact CD2-CB 3.88Å; L387-H482 VanDerWaalsContact CD2-N 3.27Å; L387-H482 HydrophobicContact CG-CB 4.38Å; L387-T493 HydrophobicContact CD1-CG2 4.28Å
388L83.1Confident83.7Confident0 Ų054.6 Ų54.60%028%0.278CS..Hα-helixtrans-120.62.2-173.3-58.4-178.9000112.3Y385 K386 T390 E391 L392 F441 V444 S445 L448 L495Y385-L388 CarbonylContact O-C 3.44Å; Y385-L388 PolarHBondContact O-N 3.4Å; K386-L388 PolarHBondContact O-N 3.36Å; L388-T390 VanDerWaalsContact C-N 3.27Å; L388-T390 PolarHBondContact O-N 3.3Å; L388-E391 PolarHBondContact O-N 3.47Å; L388-L392 HydrophobicContact CB-CD1 3.6Å; L388-L392 HydrophobicContact CB-CG 3.96Å; L388-L392 WeakPolarHBondContact O-CB 3.29Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 3.24Å; L388-F441 HydrophobicContact CD1-CE2 4.43Å; L388-V444 HydrophobicContact CB-CG1 3.99Å; L388-V444 HydrophobicContact CD1-CG1 4.12Å; L388-V444 HydrophobicContact CD2-CG1 3.72Å; L388-V444 HydrophobicContact CG-CG1 4.14Å; L388-S445 VanDerWaalsContact CD1-OG 3.28Å; L388-S445 WeakPolarHBondContact CD1-OG 3.42Å; L388-L448 HydrophobicContact CD1-CD1 4.07Å; L388-L448 HydrophobicContact CD1-CG 4.47Å; L388-L448 HydrophobicContact CD2-CD1 4.11Å; L388-L448 HydrophobicContact CD2-CD2 3.55Å; L388-L448 HydrophobicContact CD2-CG 3.74Å; L388-L448 HydrophobicContact CG-CD1 4.22Å; L388-L448 HydrophobicContact CG-CD2 4.38Å; L388-L448 HydrophobicContact CG-CG 4.4Å; L388-L495 HydrophobicContact CD2-CD1 4.34Å; L388-L495 HydrophobicContact CD2-CD2 3.98Å; L388-L495 HydrophobicContact CD2-CG 4.15Å
389E83.9Confident84.1Confident75 Ų7554 Ų5435%0.3528%0.275SS..Hα-helixtrans-60.3-37.7-168.4-179.2164-142.500111.8Y385 L393Y385-E389 HydrophobicContact CE1-CB 4.35Å; Y385-E389 HydrophobicContact CE1-CG 4.03Å; Y385-E389 PolarHBondContact O-N 3.13Å; E389-L393 HydrophobicContact CG-CD1 4.03Å; E389-L393 HydrophobicContact CG-CG 4.41Å; E389-L393 WeakPolarHBondContact O-CB 3.47Å; E389-L393 WeakPolarHBondContact O-CD1 3.31Å; E389-L393 WeakPolarHBondContact O-CG 3.42Å; E389-L393 PolarHBondContact O-N 3.35Å
390T81.8Confident84.4Confident82 Ų8251.9 Ų51.950%0.50327%0.266SS..Hα-helixtrans-62.5-50.1178.6-50.20000111.9L388 N480L388-T390 VanDerWaalsContact C-N 3.27Å; L388-T390 PolarHBondContact O-N 3.3Å; T390-N480 PolarHBondContact OG1-ND2 2.95Å; T390-N480 VanDerWaalsContact OG1-ND2 3.14Å
391E82.2Confident84.8Confident59 Ų5960.5 Ų60.528%0.27630%0.303SS..Hα-helixtrans-70.1-39.1179.1-69.272-16400111.9L388 Q394 E395 V444 L495 H498L388-E391 PolarHBondContact O-N 3.47Å; E391-Q394 PolarHBondContact O-N 3.12Å; E391-E395 PolarHBondContact O-N 3.48Å; E391-V444 HydrophobicContact CB-CG1 3.78Å; E391-V444 HydrophobicContact CB-CG2 4.39Å; E391-V444 HydrophobicContact CG-CG1 4.46Å; E391-L495 HydrophobicContact CG-CD1 3.85Å; E391-L495 VanDerWaalsContact OE1-CD1 3.32Å; E391-L495 WeakPolarHBondContact OE1-CD1 3.5Å; E391-H498 IonicContact OE1-NE2 3.36Å
392L86.3Confident85.1Confident0 Ų064.1 Ų64.10%031%0.311CS..Hα-helixtrans-67.6-34.4178.9-69.8171.2000112.8Y385 L388 Q394 E395 I396 F437 F441 V444Y385-L392 HydrophobicContact CD2-CD1 3.87Å; Y385-L392 HydrophobicContact CE2-CD1 3.9Å; L388-L392 HydrophobicContact CB-CD1 3.6Å; L388-L392 HydrophobicContact CB-CG 3.96Å; L388-L392 WeakPolarHBondContact O-CB 3.29Å; L388-L392 WeakPolarHBondContact O-CG 3.4Å; L388-L392 PolarHBondContact O-N 3.24Å; L392-Q394 VanDerWaalsContact C-N 3.27Å; L392-Q394 PolarHBondContact O-N 3.06Å; L392-E395 PolarHBondContact O-N 2.97Å; L392-I396 HydrophobicContact CB-CD1 4.44Å; L392-I396 WeakPolarHBondContact O-CB 3.34Å; L392-I396 WeakPolarHBondContact O-CD1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.86Å; L392-F437 HydrophobicContact CD2-CE2 4.42Å; L392-F441 HydrophobicContact CD1-CD2 3.62Å; L392-F441 HydrophobicContact CD1-CE2 3.85Å; L392-F441 HydrophobicContact CD2-CB 4.25Å; L392-F441 HydrophobicContact CD2-CD2 3.94Å; L392-F441 HydrophobicContact CG-CD2 4.46Å; L392-V444 HydrophobicContact CD2-CB 4.34Å; L392-V444 HydrophobicContact CD2-CG2 4.45Å
393L86.8Confident85.4Confident96 Ų9665.9 Ų65.950%0.50332%0.316SS..Hα-helixtrans-61.5-35.7177.6-79.2167000112.3E389 S397E389-L393 HydrophobicContact CG-CD1 4.03Å; E389-L393 HydrophobicContact CG-CG 4.41Å; E389-L393 WeakPolarHBondContact O-CB 3.47Å; E389-L393 WeakPolarHBondContact O-CD1 3.31Å; E389-L393 WeakPolarHBondContact O-CG 3.42Å; E389-L393 PolarHBondContact O-N 3.35Å; L393-S397 PolarHBondContact O-N 3.19Å; L393-S397 VanDerWaalsContact O-N 3.13Å
394Q85.9Confident85.7Confident131 Ų13167.5 Ų67.561%0.61232%0.317SS*.Hα-helixtrans-67.1-49.9175.1-176.5174.4-16.500111.2E391 L392 I396 S397 E398E391-Q394 PolarHBondContact O-N 3.12Å; L392-Q394 VanDerWaalsContact C-N 3.27Å; L392-Q394 PolarHBondContact O-N 3.06Å; Q394-I396 PolarHBondContact O-N 2.91Å; Q394-S397 WeakPolarHBondContact O-CB 3.32Å; Q394-S397 PolarHBondContact O-N 3.2Å; Q394-E398 PolarHBondContact O-N 3.38Å; Q394-E398 VanDerWaalsContact O-N 3.14Å
395E88.8Confident86.2Confident67 Ų6761.9 Ų61.931%0.31330%0.296SS..Hα-helixtrans-60-43.5177.3-69.7-70.8165.500112.1E391 L392 S397 E398 I399 A440E391-E395 PolarHBondContact O-N 3.48Å; L392-E395 PolarHBondContact O-N 2.97Å; E395-S397 VanDerWaalsContact C-N 3.31Å; E395-S397 PolarHBondContact O-N 3.26Å; E395-E398 PolarHBondContact O-N 3.4Å; E395-I399 WeakPolarHBondContact O-CB 3.47Å; E395-I399 WeakPolarHBondContact O-CD1 3.44Å; E395-I399 WeakPolarHBondContact O-CG1 3.07Å; E395-I399 PolarHBondContact O-N 2.81Å; E395-A440 HydrophobicContact CB-CB 3.96Å; E395-A440 HydrophobicContact CG-CB 4.07Å
396I90.1Very high86.5Confident4 Ų464.1 Ų64.12%0.02131%0.312CS..Hα-helixtrans-56.8-45.1174.9-72.8164.3000110.4L392 Q394 E398 I399 E400 S407 F420 F437L392-I396 HydrophobicContact CB-CD1 4.44Å; L392-I396 WeakPolarHBondContact O-CB 3.34Å; L392-I396 WeakPolarHBondContact O-CD1 3.31Å; L392-I396 WeakPolarHBondContact O-CG1 3.42Å; L392-I396 PolarHBondContact O-N 2.86Å; Q394-I396 PolarHBondContact O-N 2.91Å; I396-E398 PolarHBondContact O-N 3.35Å; I396-I399 WeakPolarHBondContact O-CB 3.14Å; I396-I399 PolarHBondContact O-N 3.26Å; I396-E400 HydrophobicContact CG2-CG 4.32Å; I396-E400 WeakPolarHBondContact O-CB 3.4Å; I396-E400 WeakPolarHBondContact O-CG 3.49Å; I396-E400 PolarHBondContact O-N 2.86Å; I396-S407 WeakPolarHBondContact CG2-OG 3.35Å; I396-F420 HydrophobicContact CG1-CZ 4.42Å; I396-F420 HydrophobicContact CG2-CE1 4.34Å; I396-F420 HydrophobicContact CG2-CZ 4.48Å; I396-F437 HydrophobicContact CD1-CD2 4.35Å; I396-F437 HydrophobicContact CD1-CE2 3.87Å; I396-F437 HydrophobicContact CG1-CD2 3.78Å; I396-F437 HydrophobicContact CG1-CE2 3.81Å
397S90Very high86.7Confident73 Ų7360.9 Ų60.951%0.5130%0.301SS..Hα-helixtrans-64-38.7179.8-1670000112.7L393 Q394 E395 K401L393-S397 PolarHBondContact O-N 3.19Å; L393-S397 VanDerWaalsContact O-N 3.13Å; Q394-S397 WeakPolarHBondContact O-CB 3.32Å; Q394-S397 PolarHBondContact O-N 3.2Å; E395-S397 VanDerWaalsContact C-N 3.31Å; E395-S397 PolarHBondContact O-N 3.26Å; S397-K401 WeakPolarHBondContact O-CB 3.28Å; S397-K401 PolarHBondContact O-N 3.46Å; S397-K401 VanDerWaalsContact O-N 3.16Å
398E89.2Confident87Confident90 Ų9065.2 Ų65.242%0.42132%0.319SS..Hα-helixtrans-66.8-40.4173.4-69.6-159.9-166.600112.6Q394 E395 I396 K401 R402Q394-E398 PolarHBondContact O-N 3.38Å; Q394-E398 VanDerWaalsContact O-N 3.14Å; E395-E398 PolarHBondContact O-N 3.4Å; I396-E398 PolarHBondContact O-N 3.35Å; E398-K401 PolarHBondContact O-N 3.09Å; E398-R402 VanDerWaalsContact O-CB 3.25Å; E398-R402 WeakPolarHBondContact O-CB 3.36Å; E398-R402 PolarHBondContact O-N 3.03Å; E398-R402 IonicContact OE2-NH2 2.71Å
399I89.1Confident87.2Confident4 Ų468.3 Ų68.32%0.02134%0.338CS..Hα-helixtrans-62.1-48.9176.5-72.1163.6000110.6E395 I396 K401 R402 Y403 F420 A433 F437 A440E395-I399 WeakPolarHBondContact O-CB 3.47Å; E395-I399 WeakPolarHBondContact O-CD1 3.44Å; E395-I399 WeakPolarHBondContact O-CG1 3.07Å; E395-I399 PolarHBondContact O-N 2.81Å; I396-I399 WeakPolarHBondContact O-CB 3.14Å; I396-I399 PolarHBondContact O-N 3.26Å; I399-K401 VanDerWaalsContact C-N 3.27Å; I399-K401 PolarHBondContact O-N 3.23Å; I399-R402 PolarHBondContact O-N 2.94Å; I399-R402 VanDerWaalsContact O-N 3.14Å; I399-Y403 HydrophobicContact CG2-CD2 4.02Å; I399-Y403 HydrophobicContact CG2-CE2 4.43Å; I399-Y403 VanDerWaalsContact O-CD2 3.32Å; I399-Y403 WeakPolarHBondContact O-CD2 3.12Å; I399-Y403 PolarHBondContact O-N 2.8Å; I399-Y403 VanDerWaalsContact O-N 3.07Å; I399-F420 HydrophobicContact CB-CE1 4.46Å; I399-F420 HydrophobicContact CG2-CD1 4.27Å; I399-F420 HydrophobicContact CG2-CE1 3.64Å; I399-F420 HydrophobicContact CG2-CZ 3.96Å; I399-A433 HydrophobicContact CG2-CB 3.64Å; I399-F437 HydrophobicContact CD1-CB 4.08Å; I399-A440 HydrophobicContact CD1-CB 4.41Å
400E90.5Very high87.1Confident38 Ų3867.2 Ų67.218%0.17834%0.339CS..Hα-helixtrans-56.2-40.1176.5-78.2-174-18000112.7I396 D404 T405 S407 F420I396-E400 HydrophobicContact CG2-CG 4.32Å; I396-E400 WeakPolarHBondContact O-CB 3.4Å; I396-E400 WeakPolarHBondContact O-CG 3.49Å; I396-E400 PolarHBondContact O-N 2.86Å; E400-D404 WeakPolarHBondContact O-CA 3.36Å; E400-D404 PolarHBondContact O-N 3.05Å; E400-T405 WeakPolarHBondContact CA-O 3.3Å; E400-T405 WeakPolarHBondContact CB-O 3.32Å; E400-T405 WeakPolarHBondContact CG-O 3.45Å; E400-T405 PolarHBondContact O-N 2.89Å; E400-S407 WeakPolarHBondContact OE1-CA 3.4Å; E400-S407 WeakPolarHBondContact OE1-CB 3.14Å; E400-S407 PolarHBondContact OE1-N 2.94Å; E400-S407 PolarHBondContact OE1-OG 3.3Å; E400-F420 HydrophobicContact CG-CE1 4.31Å
401K88.9Confident87.1Confident187 Ų18768.7 Ų68.781%0.81334%0.34SS*.Hα-helixtrans-74.1-34.6177.5-173.2178.3-179.6-179.80112.6S397 E398 I399S397-K401 WeakPolarHBondContact O-CB 3.28Å; S397-K401 PolarHBondContact O-N 3.46Å; S397-K401 VanDerWaalsContact O-N 3.16Å; E398-K401 PolarHBondContact O-N 3.09Å; I399-K401 VanDerWaalsContact C-N 3.27Å; I399-K401 PolarHBondContact O-N 3.23Å
402R88.2Confident86.8Confident151 Ų15171 Ų7157%0.5735%0.349SS*.Hα-helixtrans-75.1-32.9-176.4-174.6175.6-63.7162.58.1113.2E398 I399E398-R402 VanDerWaalsContact O-CB 3.25Å; E398-R402 WeakPolarHBondContact O-CB 3.36Å; E398-R402 PolarHBondContact O-N 3.03Å; E398-R402 IonicContact OE2-NH2 2.71Å; I399-R402 PolarHBondContact O-N 2.94Å; I399-R402 VanDerWaalsContact O-N 3.14Å
403Y85.1Confident86.4Confident48 Ų4874.4 Ų74.419%0.18838%0.384CS..Hα-helixtrans-114.26.6-175.3-57.7-69000114.1I399 T405 L429 H432 A433 S436I399-Y403 HydrophobicContact CG2-CD2 4.02Å; I399-Y403 HydrophobicContact CG2-CE2 4.43Å; I399-Y403 VanDerWaalsContact O-CD2 3.32Å; I399-Y403 WeakPolarHBondContact O-CD2 3.12Å; I399-Y403 PolarHBondContact O-N 2.8Å; I399-Y403 VanDerWaalsContact O-N 3.07Å; Y403-T405 VanDerWaalsContact C-N 3.34Å; Y403-T405 PolarHBondContact O-N 2.77Å; Y403-L429 HydrophobicContact CD1-CB 4.37Å; Y403-H432 HydrophobicContact CD1-CB 3.59Å; Y403-H432 HydrophobicContact CE1-CB 3.46Å; Y403-H432 VanDerWaalsContact CE1-CB 3.46Å; Y403-H432 HydrophobicContact CG-CB 4.23Å; Y403-A433 HydrophobicContact CD2-CB 4.02Å; Y403-A433 HydrophobicContact CG-CB 4.34Å; Y403-S436 WeakPolarHBondContact CE2-OG 3.37Å; Y403-S436 PolarHBondContact OH-OG 3.39Å
404D84.3Confident86Confident84 Ų8477.8 Ų77.845%0.44940%0.398SS..THydrogen-bonded Turntrans50.750-173.4-163.741.2000113.1E400 K423E400-D404 WeakPolarHBondContact O-CA 3.36Å; E400-D404 PolarHBondContact O-N 3.05Å; D404-K423 WeakPolarHBondContact O-CB 3.43Å; D404-K423 PolarHBondContact O-N 3.14Å; D404-K423 VanDerWaalsContact OD1-CD 3.26Å; D404-K423 WeakPolarHBondContact OD1-CD 3.36Å
405T88.3Confident85.7Confident0 Ų075.8 Ų75.80%039%0.387CS..EExtended strand (participates in β ladder)trans-116.5163.1179.1590000111.6E400 Y403 E421 K423 S430 A433E400-T405 WeakPolarHBondContact CA-O 3.3Å; E400-T405 WeakPolarHBondContact CB-O 3.32Å; E400-T405 WeakPolarHBondContact CG-O 3.45Å; E400-T405 PolarHBondContact O-N 2.89Å; Y403-T405 VanDerWaalsContact C-N 3.34Å; Y403-T405 PolarHBondContact O-N 2.77Å; T405-E421 CarbonylContact C-O 3.5Å; T405-E421 WeakPolarHBondContact CA-O 3.44Å; T405-E421 WeakPolarHBondContact CB-O 3.22Å; T405-K423 WeakPolarHBondContact O-CE 3.19Å; T405-K423 PolarHBondContact O-NZ 3.16Å; T405-S430 WeakPolarHBondContact CG2-OG 3.49Å; T405-A433 HydrophobicContact CG2-CB 3.96Å
406C88.1Confident85.5Confident51 Ų5172.7 Ų72.735%0.34537%0.372SS..EExtended strand (participates in β ladder)trans-121.1128.2172.8-173.70000108.3E421 K423C406-E421 PolarHBondContact N-O 3.14Å; C406-E421 PolarHBondContact O-N 3.28Å; C406-K423 HydrophobicContact CB-CG 4.26Å
407S88.6Confident85.3Confident26 Ų2672.6 Ų72.618%0.18237%0.372CS..EExtended strand (participates in β ladder)trans-88.3144.717772.20000111.7I396 E400 L419I396-S407 WeakPolarHBondContact CG2-OG 3.35Å; E400-S407 WeakPolarHBondContact OE1-CA 3.4Å; E400-S407 WeakPolarHBondContact OE1-CB 3.14Å; E400-S407 PolarHBondContact OE1-N 2.94Å; E400-S407 PolarHBondContact OE1-OG 3.3Å; S407-L419 CarbonylContact C-O 3.55Å; S407-L419 VanDerWaalsContact CA-O 3.25Å; S407-L419 WeakPolarHBondContact CA-O 3.35Å
408K87.6Confident85.2Confident103 Ų10369.1 Ų69.145%0.44835%0.348SS..EExtended strand (participates in β ladder)trans-126.9116169.6-65.4179.4-172.8165.80108.5L419 E421K408-L419 HydrophobicContact CB-CB 4.38Å; K408-L419 PolarHBondContact N-O 3.37Å; K408-L419 PolarHBondContact O-N 3.25Å; K408-E421 WeakPolarHBondContact CE-OE1 3.26Å; K408-E421 VanDerWaalsContact CE-OE2 3.28Å; K408-E421 WeakPolarHBondContact CE-OE2 3.48Å; K408-E421 IonicContact NZ-OE1 4Å; K408-E421 PolarHBondContact NZ-OE1 2.93Å; K408-E421 IonicContact NZ-OE2 2.71Å; K408-E421 PolarHBondContact NZ-OE2 2.84Å
409V87.4Confident85.3Confident66 Ų6666.8 Ų66.840%0.434%0.338SS..EExtended strand (participates in β ladder)trans-98.5131.4176.2-173.30000108.5Y385 T416 C417 V418Y385-V409 HydrophobicContact CE1-CG1 4.06Å; V409-T416 HydrophobicContact CG1-CG2 3.39Å; V409-C417 WeakPolarHBondContact CA-O 3.28Å; V409-V418 HydrophobicContact CG1-CG2 4.47Å; V409-V418 HydrophobicContact CG2-CG1 4.47Å; V409-V418 HydrophobicContact CG2-CG2 4.32Å
410S82.8Confident85.2Confident52 Ų5266.8 Ų66.836%0.36434%0.338SS..EExtended strand (participates in β ladder)trans-142137.218055.70000111.5C417S410-C417 PolarHBondContact N-O 3.07Å; S410-C417 PolarHBondContact O-N 3.17Å; S410-C417 PolarHBondContact OG-O 3.17Å
411E81.8Confident85Confident113 Ų11368.4 Ų68.453%0.52835%0.346SS..EExtended strand (participates in β ladder)trans-86.1130.3172.6-64.1-160.6130.300110.8K386K386-E411 WeakPolarHBondContact CE-OE1 3.47Å; K386-E411 IonicContact NZ-OE1 3.38Å; K386-E411 PolarHBondContact NZ-OE1 3.12Å; K386-E411 IonicContact NZ-OE2 2.63Å; K386-E411 PolarHBondContact NZ-OE2 2.79Å
412K74.9Confident84.8Confident106 Ų10661.7 Ų61.746%0.46132%0.321SS..EExtended strand (participates in β ladder)trans-125.675.8177.1-65.1179.9-174.11660108.5Q414 K415 C417K412-Q414 PolarHBondContact O-N 3.05Å; K412-K415 CarbonylContact C-O 3.31Å; K412-K415 PolarHBondContact N-O 2.68Å; K412-K415 PolarHBondContact O-N 3.07Å; K412-C417 HydrophobicContact CD-CB 4.02Å; K412-C417 HydrophobicContact CG-CB 4.49Å; K412-C417 PolarHBondContact NZ-SG 3.31Å
413G78.9Confident84.5Confident72 Ų7259.8 Ų59.874%0.74232%0.317SS*.THydrogen-bonded Turntrans70.8-119.5-176.500000111.7K415G413-K415 VanDerWaalsContact C-N 3.27Å; G413-K415 PolarHBondContact O-N 2.71Å
414Q76.9Confident84Confident168 Ų16860.9 Ų60.979%0.78533%0.326SS*.THydrogen-bonded Turntrans-82.92176.9-70.2-178-25.100113.9S382 K412S382-Q414 PolarHBondContact N-O 2.68Å; S382-Q414 PolarHBondContact OG-O 3.32Å; K412-Q414 PolarHBondContact O-N 3.05Å
415K79.3Confident83Confident88 Ų8866.6 Ų66.638%0.38335%0.347SS..EExtended strand (participates in β ladder)trans-118.3138.8-179.3-57.5-164.4-165.5179.60112.3E379 V380 S382 K412 G413E379-K415 HydrophobicContact CB-CD 3.9Å; E379-K415 HydrophobicContact CG-CD 4.42Å; E379-K415 VanDerWaalsContact OE2-CD 3.24Å; E379-K415 WeakPolarHBondContact OE2-CD 3.48Å; E379-K415 IonicContact OE2-NZ 3.13Å; E379-K415 PolarHBondContact OE2-NZ 2.88Å; V380-K415 CarbonylContact O-C 3.51Å; V380-K415 WeakPolarHBondContact O-CA 3.2Å; V380-K415 WeakPolarHBondContact O-CB 3.28Å; S382-K415 WeakPolarHBondContact OG-CA 3.31Å; S382-K415 PolarHBondContact OG-N 2.86Å; S382-K415 PolarHBondContact OG-O 3.49Å; K412-K415 CarbonylContact C-O 3.31Å; K412-K415 PolarHBondContact N-O 2.68Å; K412-K415 PolarHBondContact O-N 3.07Å; G413-K415 VanDerWaalsContact C-N 3.27Å; G413-K415 PolarHBondContact O-N 2.71Å
416T85.6Confident81.6Confident2 Ų274.5 Ų74.51%0.01238%0.384CS..EExtended strand (participates in β ladder)trans-96.1130.9167-59.40000108.3E379 V380 S382 Y385 V409E379-T416 WeakPolarHBondContact CA-O 2.69Å; V380-T416 WeakPolarHBondContact CG2-O 3.36Å; V380-T416 PolarHBondContact N-O 2.89Å; V380-T416 PolarHBondContact O-N 2.93Å; S382-T416 WeakPolarHBondContact CA-OG1 3.41Å; S382-T416 WeakPolarHBondContact CB-OG1 3.47Å; S382-T416 PolarHBondContact OG-N 3.3Å; S382-T416 PolarHBondContact OG-OG1 2.99Å; Y385-T416 HydrophobicContact CD1-CG2 3.83Å; Y385-T416 HydrophobicContact CD2-CG2 4.27Å; Y385-T416 HydrophobicContact CE1-CG2 4.06Å; Y385-T416 HydrophobicContact CE2-CG2 4.45Å; Y385-T416 HydrophobicContact CG-CG2 3.93Å; V409-T416 HydrophobicContact CG1-CG2 3.39Å
417C86.6Confident80.5Confident3 Ų376.6 Ų76.62%0.0240%0.395CS..EExtended strand (participates in β ladder)trans-112120.4-178.2-1790000109.6N376 I378 E379 V409 S410 K412N376-C417 PolarHBondContact O-SG 3.31Å; N376-C417 VanDerWaalsContact O-SG 3.34Å; I378-C417 CarbonylContact O-C 3.58Å; I378-C417 VanDerWaalsContact O-CA 3.29Å; I378-C417 WeakPolarHBondContact O-CA 3.28Å; E379-C417 HydrophobicContact CG-CB 4.48Å; V409-C417 WeakPolarHBondContact CA-O 3.28Å; S410-C417 PolarHBondContact N-O 3.07Å; S410-C417 PolarHBondContact O-N 3.17Å; S410-C417 PolarHBondContact OG-O 3.17Å; K412-C417 HydrophobicContact CD-CB 4.02Å; K412-C417 HydrophobicContact CG-CB 4.49Å; K412-C417 PolarHBondContact NZ-SG 3.31Å
418V88Confident79.9Confident0 Ų080.4 Ų80.40%041%0.413CS..EExtended strand (participates in β ladder)trans-107.9117.7179.3-174.60000109.2G377 I378 Y385 V409 F420 F437G377-V418 CarbonylContact C-O 3.47Å; G377-V418 WeakPolarHBondContact CA-O 3.36Å; I378-V418 PolarHBondContact N-O 2.93Å; I378-V418 PolarHBondContact O-N 3.29Å; Y385-V418 HydrophobicContact CE2-CG2 3.94Å; V409-V418 HydrophobicContact CG1-CG2 4.47Å; V409-V418 HydrophobicContact CG2-CG1 4.47Å; V409-V418 HydrophobicContact CG2-CG2 4.32Å; V418-F420 HydrophobicContact CG1-CD2 4.37Å; V418-F420 HydrophobicContact CG1-CE2 3.76Å; V418-F420 HydrophobicContact CG1-CZ 4.22Å; V418-F437 HydrophobicContact CB-CE1 4.22Å; V418-F437 HydrophobicContact CB-CZ 4.18Å; V418-F437 HydrophobicContact CG1-CE1 4.45Å; V418-F437 HydrophobicContact CG1-CE2 4.28Å; V418-F437 HydrophobicContact CG1-CZ 4.24Å; V418-F437 HydrophobicContact CG2-CE1 4.2Å; V418-F437 HydrophobicContact CG2-CE2 4.43Å; V418-F437 HydrophobicContact CG2-CZ 3.79Å
419L89.6Confident79.4Confident41 Ų4178.4 Ų78.422%0.21541%0.407CS..EExtended strand (participates in β ladder)trans-113.9129.3-178.7-17483000109.2S407 K408 E421 Y434S407-L419 CarbonylContact C-O 3.55Å; S407-L419 VanDerWaalsContact CA-O 3.25Å; S407-L419 WeakPolarHBondContact CA-O 3.35Å; K408-L419 HydrophobicContact CB-CB 4.38Å; K408-L419 PolarHBondContact N-O 3.37Å; K408-L419 PolarHBondContact O-N 3.25Å; L419-E421 HydrophobicContact CD2-CG 3.97Å; L419-E421 VanDerWaalsContact CD2-OE1 3.29Å; L419-E421 WeakPolarHBondContact CD2-OE1 3.36Å; L419-E421 HydrophobicContact CG-CG 4.36Å; L419-Y434 VanDerWaalsContact CD1-OH 3.23Å; L419-Y434 WeakPolarHBondContact CD1-OH 3.4Å
420F88.1Confident79.1Confident4 Ų475.5 Ų75.52%0.01839%0.39CS..EExtended strand (participates in β ladder)trans-105.2121.4171.3-70.5-88.6000109.7I396 I399 E400 V418 S430 A433 Y434 F437I396-F420 HydrophobicContact CG1-CZ 4.42Å; I396-F420 HydrophobicContact CG2-CE1 4.34Å; I396-F420 HydrophobicContact CG2-CZ 4.48Å; I399-F420 HydrophobicContact CB-CE1 4.46Å; I399-F420 HydrophobicContact CG2-CD1 4.27Å; I399-F420 HydrophobicContact CG2-CE1 3.64Å; I399-F420 HydrophobicContact CG2-CZ 3.96Å; E400-F420 HydrophobicContact CG-CE1 4.31Å; V418-F420 HydrophobicContact CG1-CD2 4.37Å; V418-F420 HydrophobicContact CG1-CE2 3.76Å; V418-F420 HydrophobicContact CG1-CZ 4.22Å; F420-S430 VanDerWaalsContact C-OG 3.27Å; F420-S430 VanDerWaalsContact O-CB 3.31Å; F420-S430 WeakPolarHBondContact O-CB 3.48Å; F420-S430 PolarHBondContact O-OG 2.95Å; F420-A433 HydrophobicContact CB-CB 3.98Å; F420-A433 HydrophobicContact CD1-CB 3.85Å; F420-A433 HydrophobicContact CD2-CB 4.37Å; F420-A433 HydrophobicContact CE1-CB 4.42Å; F420-A433 HydrophobicContact CG-CB 3.81Å; F420-Y434 HydrophobicContact CB-CD1 4.46Å; F420-Y434 HydrophobicContact CB-CE1 4.1Å; F420-Y434 HydrophobicContact CB-CE2 4.41Å; F420-Y434 AromaticContact CD2-CD1 3.69Å; F420-Y434 HydrophobicContact CD2-CD1 3.69Å; F420-Y434 AromaticContact CD2-CE1 3.8Å; F420-Y434 HydrophobicContact CD2-CE1 3.8Å; F420-Y434 HydrophobicContact CD2-CG 4.41Å; F420-Y434 HydrophobicContact CG-CE1 4.46Å; F420-Y434 VanDerWaalsContact N-CZ 3.34Å; F420-Y434 PolarHBondContact N-OH 3.47Å; F420-Y434 PolarHBondContact O-OH 2.91Å; F420-Y434 VanDerWaalsContact O-OH 3.08Å; F420-F437 HydrophobicContact CE2-CB 3.56Å; F420-F437 HydrophobicContact CE2-CD1 4.44Å; F420-F437 HydrophobicContact CE2-CD2 4.12Å; F420-F437 AromaticContact CE2-CG 3.77Å; F420-F437 HydrophobicContact CE2-CG 3.77Å; F420-F437 HydrophobicContact CZ-CB 3.87Å; F420-F437 HydrophobicContact CZ-CD2 4.04Å; F420-F437 HydrophobicContact CZ-CG 4.1Å
421E85.6Confident78.7Confident72 Ų7276.8 Ų76.834%0.33640%0.395SS..EExtended strand (participates in β ladder)trans-110.4139.7174.8-67176.7-169.600109.8T405 C406 K408 L419T405-E421 CarbonylContact C-O 3.5Å; T405-E421 WeakPolarHBondContact CA-O 3.44Å; T405-E421 WeakPolarHBondContact CB-O 3.22Å; C406-E421 PolarHBondContact N-O 3.14Å; C406-E421 PolarHBondContact O-N 3.28Å; K408-E421 WeakPolarHBondContact CE-OE1 3.26Å; K408-E421 VanDerWaalsContact CE-OE2 3.28Å; K408-E421 WeakPolarHBondContact CE-OE2 3.48Å; K408-E421 IonicContact NZ-OE1 4Å; K408-E421 PolarHBondContact NZ-OE1 2.93Å; K408-E421 IonicContact NZ-OE2 2.71Å; K408-E421 PolarHBondContact NZ-OE2 2.84Å; L419-E421 HydrophobicContact CD2-CG 3.97Å; L419-E421 VanDerWaalsContact CD2-OE1 3.29Å; L419-E421 WeakPolarHBondContact CD2-OE1 3.36Å; L419-E421 HydrophobicContact CG-CG 4.36Å
422P85.3Confident78.5Confident46 Ų4676.2 Ų76.230%0.29939%0.392SS..EExtended strand (participates in β ladder)trans-71.9143.4177.832.2-36.1000111.2D428 S430P422-D428 HydrophobicContact CG-CB 4.36Å; P422-S430 WeakPolarHBondContact CD-OG 3.24Å
423K82.1Confident78.9Confident110 Ų11071.2 Ų71.248%0.47837%0.37SS..SBendtrans-79.9-44.3178.9-73.6164.5170.61500111.4D404 T405 C406D404-K423 WeakPolarHBondContact O-CB 3.43Å; D404-K423 PolarHBondContact O-N 3.14Å; D404-K423 VanDerWaalsContact OD1-CD 3.26Å; D404-K423 WeakPolarHBondContact OD1-CD 3.36Å; T405-K423 WeakPolarHBondContact O-CE 3.19Å; T405-K423 PolarHBondContact O-NZ 3.16Å; C406-K423 HydrophobicContact CB-CG 4.26Å
424D73.4Confident79Confident71 Ų7168.6 Ų68.638%0.3834%0.338SS..SBendtrans-88.6142.7166.1-167.1-5.6000111.4Q426D424-Q426 WeakPolarHBondContact OD1-CG 3.38Å; D424-Q426 PolarHBondContact OD1-N 2.7Å
425K65Low78.9Confident205 Ų20562.7 Ų62.789%0.89132%0.318SS*.SBendtrans-87.3-5.2176.2-62.9-177.2-179.31770113.4
426Q59.3Low78.9Confident165 Ų16559.5 Ų59.577%0.77131%0.307SS*.SBendtrans-80.6-31.5-179.5-66-176.157.200113.7D424D424-Q426 WeakPolarHBondContact OD1-CG 3.38Å; D424-Q426 PolarHBondContact OD1-N 2.7Å
427V64.5Low79Confident96 Ų9659.4 Ų59.458%0.58231%0.307SS*.  trans-140.4114.7-179.7-173.60000109.9L429V427-L429 HydrophobicContact CG1-CD2 3.95Å; V427-L429 HydrophobicContact CG1-CG 4.04Å
428D75.9Confident78.6Confident105 Ų10560.5 Ų60.556%0.56131%0.312SS*.  trans-89.3109.5175.4-176.2-1.7000110.8P422 S430P422-D428 HydrophobicContact CG-CB 4.36Å; D428-S430 VanDerWaalsContact OD1-CB 3.24Å; D428-S430 WeakPolarHBondContact OD1-CB 3.38Å; D428-S430 PolarHBondContact OD1-N 3.04Å
429L77.5Confident77.9Confident62 Ų6265.4 Ų65.433%0.32534%0.338SS..  trans-106.510.6173.2-59.2179.7000112.9Y403 V427 V431 H432 A433Y403-L429 HydrophobicContact CD1-CB 4.37Å; V427-L429 HydrophobicContact CG1-CD2 3.95Å; V427-L429 HydrophobicContact CG1-CG 4.04Å; L429-V431 PolarHBondContact O-N 3.03Å; L429-V431 VanDerWaalsContact O-N 3.13Å; L429-H432 WeakPolarHBondContact O-CB 3.47Å; L429-H432 PolarHBondContact O-N 2.79Å; L429-A433 PolarHBondContact O-N 2.91Å
430S79.3Confident77.5Confident5 Ų563.9 Ų63.94%0.03533%0.331CS..Hα-helixtrans-58.1-30.5-177.5-81.40000113.4T405 F420 P422 D428 H432 A433 Y434T405-S430 WeakPolarHBondContact CG2-OG 3.49Å; F420-S430 VanDerWaalsContact C-OG 3.27Å; F420-S430 VanDerWaalsContact O-CB 3.31Å; F420-S430 WeakPolarHBondContact O-CB 3.48Å; F420-S430 PolarHBondContact O-OG 2.95Å; P422-S430 WeakPolarHBondContact CD-OG 3.24Å; D428-S430 VanDerWaalsContact OD1-CB 3.24Å; D428-S430 WeakPolarHBondContact OD1-CB 3.38Å; D428-S430 PolarHBondContact OD1-N 3.04Å; S430-H432 PolarHBondContact O-N 2.89Å; S430-A433 WeakPolarHBondContact O-CB 3.31Å; S430-A433 PolarHBondContact O-N 2.79Å; S430-A433 VanDerWaalsContact O-N 3.14Å; S430-Y434 WeakPolarHBondContact O-CD2 3.3Å; S430-Y434 PolarHBondContact O-N 3.29Å
431V75.6Confident77.2Confident79 Ų7963.9 Ų63.948%0.47933%0.331SS..Hα-helixtrans-57.7-37.6173.2-179.70000112M374 L429 A435M374-V431 HydrophobicContact SD-CB 4.44Å; M374-V431 HydrophobicContact SD-CG1 4.07Å; M374-V431 HydrophobicContact SD-CG2 4.19Å; L429-V431 PolarHBondContact O-N 3.03Å; L429-V431 VanDerWaalsContact O-N 3.13Å; V431-A435 PolarHBondContact O-N 3.25Å; V431-A435 VanDerWaalsContact O-N 3.08Å
432H77.8Confident76.8Confident101 Ų10163.9 Ų63.947%0.46833%0.331SS..Hα-helixtrans-77.3-32.4176.8-60.5-69.3000112.4Y403 L429 S430 A435 S436Y403-H432 HydrophobicContact CD1-CB 3.59Å; Y403-H432 HydrophobicContact CE1-CB 3.46Å; Y403-H432 VanDerWaalsContact CE1-CB 3.46Å; Y403-H432 HydrophobicContact CG-CB 4.23Å; L429-H432 WeakPolarHBondContact O-CB 3.47Å; L429-H432 PolarHBondContact O-N 2.79Å; S430-H432 PolarHBondContact O-N 2.89Å; H432-A435 PolarHBondContact O-N 3.32Å; H432-S436 WeakPolarHBondContact O-CB 3.34Å; H432-S436 PolarHBondContact O-N 3.03Å; H432-S436 PolarHBondContact O-OG 3.37Å
433A82Confident76.3Confident0 Ų067.1 Ų67.10%034%0.342CS..Hα-helixtrans-64.5-45.117100000111.6I399 Y403 T405 F420 L429 S430 A435 S436 F437I399-A433 HydrophobicContact CG2-CB 3.64Å; Y403-A433 HydrophobicContact CD2-CB 4.02Å; Y403-A433 HydrophobicContact CG-CB 4.34Å; T405-A433 HydrophobicContact CG2-CB 3.96Å; F420-A433 HydrophobicContact CB-CB 3.98Å; F420-A433 HydrophobicContact CD1-CB 3.85Å; F420-A433 HydrophobicContact CD2-CB 4.37Å; F420-A433 HydrophobicContact CE1-CB 4.42Å; F420-A433 HydrophobicContact CG-CB 3.81Å; L429-A433 PolarHBondContact O-N 2.91Å; S430-A433 WeakPolarHBondContact O-CB 3.31Å; S430-A433 PolarHBondContact O-N 2.79Å; S430-A433 VanDerWaalsContact O-N 3.14Å; A433-A435 PolarHBondContact O-N 2.91Å; A433-S436 PolarHBondContact O-N 3.19Å; A433-F437 WeakPolarHBondContact O-CB 3.43Å; A433-F437 PolarHBondContact O-N 2.87Å
434Y82.4Confident76Confident18 Ų1862.4 Ų62.47%0.07132%0.323CS..Hα-helixtrans-59.2-46.2173.4-72.7-57.8000112.2M374 I378 L419 F420 S430 F437 I438M374-Y434 HydrophobicContact CE-CD2 4.49Å; M374-Y434 HydrophobicContact CE-CG 4.4Å; M374-Y434 HydrophobicContact SD-CD2 4.04Å; I378-Y434 HydrophobicContact CD1-CD1 3.6Å; I378-Y434 HydrophobicContact CD1-CG 4.28Å; I378-Y434 HydrophobicContact CG1-CD1 3.76Å; I378-Y434 HydrophobicContact CG1-CE1 4.36Å; L419-Y434 VanDerWaalsContact CD1-OH 3.23Å; L419-Y434 WeakPolarHBondContact CD1-OH 3.4Å; F420-Y434 HydrophobicContact CB-CD1 4.46Å; F420-Y434 HydrophobicContact CB-CE1 4.1Å; F420-Y434 HydrophobicContact CB-CE2 4.41Å; F420-Y434 AromaticContact CD2-CD1 3.69Å; F420-Y434 HydrophobicContact CD2-CD1 3.69Å; F420-Y434 AromaticContact CD2-CE1 3.8Å; F420-Y434 HydrophobicContact CD2-CE1 3.8Å; F420-Y434 HydrophobicContact CD2-CG 4.41Å; F420-Y434 HydrophobicContact CG-CE1 4.46Å; F420-Y434 VanDerWaalsContact N-CZ 3.34Å; F420-Y434 PolarHBondContact N-OH 3.47Å; F420-Y434 PolarHBondContact O-OH 2.91Å; F420-Y434 VanDerWaalsContact O-OH 3.08Å; S430-Y434 WeakPolarHBondContact O-CD2 3.3Å; S430-Y434 PolarHBondContact O-N 3.29Å; Y434-F437 PolarHBondContact O-N 3.32Å; Y434-I438 VanDerWaalsContact O-CG1 3.3Å; Y434-I438 WeakPolarHBondContact O-CG1 3.44Å; Y434-I438 PolarHBondContact O-N 3.21Å
435A74.6Confident76.1Confident44 Ų4459.8 Ų59.836%0.36431%0.31SS..Hα-helixtrans-61-46.5177.200000111.7V431 H432 A433 F437 I438 D439V431-A435 PolarHBondContact O-N 3.25Å; V431-A435 VanDerWaalsContact O-N 3.08Å; H432-A435 PolarHBondContact O-N 3.32Å; A433-A435 PolarHBondContact O-N 2.91Å; A435-F437 VanDerWaalsContact C-N 3.34Å; A435-F437 PolarHBondContact O-N 3.28Å; A435-I438 WeakPolarHBondContact O-CB 3.4Å; A435-I438 PolarHBondContact O-N 2.82Å; A435-I438 VanDerWaalsContact O-N 3.16Å; A435-D439 PolarHBondContact O-N 2.84Å
436S78.9Confident76.3Confident21 Ų2152.2 Ų52.215%0.14728%0.282CS..Hα-helixtrans-65-37179.1-54.70000112.4Y403 H432 A433 D439 A440Y403-S436 WeakPolarHBondContact CE2-OG 3.37Å; Y403-S436 PolarHBondContact OH-OG 3.39Å; H432-S436 WeakPolarHBondContact O-CB 3.34Å; H432-S436 PolarHBondContact O-N 3.03Å; H432-S436 PolarHBondContact O-OG 3.37Å; A433-S436 PolarHBondContact O-N 3.19Å; S436-D439 PolarHBondContact O-N 2.87Å; S436-A440 WeakPolarHBondContact O-CB 3.25Å; S436-A440 PolarHBondContact O-N 2.68Å
437F87.2Confident76.8Confident0 Ų048.7 Ų48.70%027%0.265CS..Hα-helixtrans-67.6-36.4173.7177-93.3000112.1I378 Y385 L392 I396 I399 V418 F420 A433 Y434 A435 F441I378-F437 HydrophobicContact CB-CE1 4.47Å; I378-F437 HydrophobicContact CD1-CD1 3.62Å; I378-F437 HydrophobicContact CD1-CE1 4.35Å; I378-F437 HydrophobicContact CG2-CD1 4.39Å; I378-F437 HydrophobicContact CG2-CE1 4.11Å; Y385-F437 HydrophobicContact CE2-CZ 4.35Å; L392-F437 HydrophobicContact CD2-CE2 4.42Å; I396-F437 HydrophobicContact CD1-CD2 4.35Å; I396-F437 HydrophobicContact CD1-CE2 3.87Å; I396-F437 HydrophobicContact CG1-CD2 3.78Å; I396-F437 HydrophobicContact CG1-CE2 3.81Å; I399-F437 HydrophobicContact CD1-CB 4.08Å; V418-F437 HydrophobicContact CB-CE1 4.22Å; V418-F437 HydrophobicContact CB-CZ 4.18Å; V418-F437 HydrophobicContact CG1-CE1 4.45Å; V418-F437 HydrophobicContact CG1-CE2 4.28Å; V418-F437 HydrophobicContact CG1-CZ 4.24Å; V418-F437 HydrophobicContact CG2-CE1 4.2Å; V418-F437 HydrophobicContact CG2-CE2 4.43Å; V418-F437 HydrophobicContact CG2-CZ 3.79Å; F420-F437 HydrophobicContact CE2-CB 3.56Å; F420-F437 HydrophobicContact CE2-CD1 4.44Å; F420-F437 HydrophobicContact CE2-CD2 4.12Å; F420-F437 AromaticContact CE2-CG 3.77Å; F420-F437 HydrophobicContact CE2-CG 3.77Å; F420-F437 HydrophobicContact CZ-CB 3.87Å; F420-F437 HydrophobicContact CZ-CD2 4.04Å; F420-F437 HydrophobicContact CZ-CG 4.1Å; A433-F437 WeakPolarHBondContact O-CB 3.43Å; A433-F437 PolarHBondContact O-N 2.87Å; Y434-F437 PolarHBondContact O-N 3.32Å; A435-F437 VanDerWaalsContact C-N 3.34Å; A435-F437 PolarHBondContact O-N 3.28Å; F437-F441 HydrophobicContact CE1-CB 4.25Å; F437-F441 HydrophobicContact CE1-CD2 4.47Å; F437-F441 HydrophobicContact CZ-CB 4.36Å; F437-F441 HydrophobicContact CZ-CD2 4.11Å; F437-F441 WeakPolarHBondContact O-CB 3.14Å; F437-F441 PolarHBondContact O-N 2.8Å
438I78.8Confident77.4Confident26 Ų2646 Ų4613%0.13325%0.247CC..Hα-helixtrans-61.2-47.5173.3-72166.7000110.1L368 T370 I378 Y434 A435 F441 Q442L368-I438 HydrophobicContact CD1-CB 4.43Å; L368-I438 HydrophobicContact CD1-CG1 4.07Å; L368-I438 HydrophobicContact CD1-CG2 3.98Å; T370-I438 HydrophobicContact CG2-CD1 4.42Å; I378-I438 HydrophobicContact CD1-CD1 4.02Å; I378-I438 HydrophobicContact CD1-CG1 3.65Å; Y434-I438 VanDerWaalsContact O-CG1 3.3Å; Y434-I438 WeakPolarHBondContact O-CG1 3.44Å; Y434-I438 PolarHBondContact O-N 3.21Å; A435-I438 WeakPolarHBondContact O-CB 3.4Å; A435-I438 PolarHBondContact O-N 2.82Å; A435-I438 VanDerWaalsContact O-N 3.16Å; I438-F441 PolarHBondContact O-N 2.85Å; I438-Q442 HydrophobicContact CG2-CG 4.5Å; I438-Q442 VanDerWaalsContact CG2-NE2 3.33Å; I438-Q442 WeakPolarHBondContact O-CB 3.48Å; I438-Q442 VanDerWaalsContact O-CG 3.27Å; I438-Q442 WeakPolarHBondContact O-CG 3.3Å; I438-Q442 PolarHBondContact O-N 3.47Å
439D73.5Confident77.1Confident103 Ų10345.9 Ų45.955%0.55125%0.245SC*.Hα-helixtrans-64-46.9179.9-68.5-21.2000111.2A435 S436 Q442 H443A435-D439 PolarHBondContact O-N 2.84Å; S436-D439 PolarHBondContact O-N 2.87Å; D439-Q442 PolarHBondContact O-N 2.77Å; D439-H443 VanDerWaalsContact O-CB 3.29Å; D439-H443 WeakPolarHBondContact O-CB 3.38Å; D439-H443 PolarHBondContact O-N 2.6Å
440A80.8Confident77Confident8 Ų850.4 Ų50.47%0.06626%0.258CS..Hα-helixtrans-61.3-44.8175.200000112.2E395 I399 S436 Q442 H443 V444E395-A440 HydrophobicContact CB-CB 3.96Å; E395-A440 HydrophobicContact CG-CB 4.07Å; I399-A440 HydrophobicContact CD1-CB 4.41Å; S436-A440 WeakPolarHBondContact O-CB 3.25Å; S436-A440 PolarHBondContact O-N 2.68Å; A440-Q442 PolarHBondContact O-N 3.08Å; A440-H443 PolarHBondContact O-N 3.32Å; A440-V444 WeakPolarHBondContact O-CB 3.49Å; A440-V444 WeakPolarHBondContact O-CG2 3.33Å; A440-V444 PolarHBondContact O-N 3.07Å
441F81.7Confident76.7Confident4 Ų452.4 Ų52.42%0.01827%0.266CS..Hα-helixtrans-63.6-40.3177.7-174.7-90.2000112.1L368 V380 Y385 L388 L392 F437 I438 S445L368-F441 HydrophobicContact CD1-CD1 4.5Å; L368-F441 HydrophobicContact CD2-CE1 4.4Å; V380-F441 HydrophobicContact CB-CE1 4.47Å; V380-F441 HydrophobicContact CB-CE2 4.18Å; V380-F441 HydrophobicContact CB-CZ 3.88Å; V380-F441 HydrophobicContact CG1-CD1 4.24Å; V380-F441 HydrophobicContact CG1-CD2 4.3Å; V380-F441 HydrophobicContact CG1-CE1 3.81Å; V380-F441 HydrophobicContact CG1-CE2 3.88Å; V380-F441 HydrophobicContact CG1-CG 4.48Å; V380-F441 HydrophobicContact CG1-CZ 3.62Å; V380-F441 HydrophobicContact CG2-CE2 4.29Å; V380-F441 HydrophobicContact CG2-CZ 4.47Å; Y385-F441 HydrophobicContact CD2-CE2 4.37Å; L388-F441 HydrophobicContact CD1-CE2 4.43Å; L392-F441 HydrophobicContact CD1-CD2 3.62Å; L392-F441 HydrophobicContact CD1-CE2 3.85Å; L392-F441 HydrophobicContact CD2-CB 4.25Å; L392-F441 HydrophobicContact CD2-CD2 3.94Å; L392-F441 HydrophobicContact CG-CD2 4.46Å; F437-F441 HydrophobicContact CE1-CB 4.25Å; F437-F441 HydrophobicContact CE1-CD2 4.47Å; F437-F441 HydrophobicContact CZ-CB 4.36Å; F437-F441 HydrophobicContact CZ-CD2 4.11Å; F437-F441 WeakPolarHBondContact O-CB 3.14Å; F437-F441 PolarHBondContact O-N 2.8Å; I438-F441 PolarHBondContact O-N 2.85Å; F441-S445 WeakPolarHBondContact CE1-OG 3.11Å; F441-S445 WeakPolarHBondContact O-CB 3.41Å; F441-S445 PolarHBondContact O-N 2.81Å; F441-S445 PolarHBondContact O-OG 2.87Å
442Q76.9Confident76.6Confident73 Ų7352.3 Ų52.334%0.34127%0.266SS..Hα-helixtrans-67.5-42.3175-73.217920.200111.9I438 D439 A440 C446I438-Q442 HydrophobicContact CG2-CG 4.5Å; I438-Q442 VanDerWaalsContact CG2-NE2 3.33Å; I438-Q442 WeakPolarHBondContact O-CB 3.48Å; I438-Q442 VanDerWaalsContact O-CG 3.27Å; I438-Q442 WeakPolarHBondContact O-CG 3.3Å; I438-Q442 PolarHBondContact O-N 3.47Å; D439-Q442 PolarHBondContact O-N 2.77Å; A440-Q442 PolarHBondContact O-N 3.08Å; Q442-C446 WeakPolarHBondContact O-CB 2.92Å; Q442-C446 PolarHBondContact O-N 3.06Å
443H75.3Confident76.5Confident114 Ų11448.3 Ų48.353%0.52825%0.248SC..Hα-helixtrans-60.1-56.5176.1-178.4-94.9000111.3D439 A440 S445 C446 H447D439-H443 VanDerWaalsContact O-CB 3.29Å; D439-H443 WeakPolarHBondContact O-CB 3.38Å; D439-H443 PolarHBondContact O-N 2.6Å; A440-H443 PolarHBondContact O-N 3.32Å; H443-S445 VanDerWaalsContact C-N 3.33Å; H443-S445 PolarHBondContact O-N 3.45Å; H443-C446 PolarHBondContact O-N 3.49Å; H443-C446 PolarHBondContact O-SG 2.9Å; H443-H447 AromaticContact CE1-NE2 3.6Å; H443-H447 AromaticContact NE2-NE2 3.85Å; H443-H447 PolarHBondContact O-CD2 3.38Å
444V75.6Confident75.9Confident11 Ų1154 Ų547%0.06728%0.278CS..Hα-helixtrans-62.8-39.1179.3178.30000111.4L388 E391 L392 A440 C446 H447L388-V444 HydrophobicContact CB-CG1 3.99Å; L388-V444 HydrophobicContact CD1-CG1 4.12Å; L388-V444 HydrophobicContact CD2-CG1 3.72Å; L388-V444 HydrophobicContact CG-CG1 4.14Å; E391-V444 HydrophobicContact CB-CG1 3.78Å; E391-V444 HydrophobicContact CB-CG2 4.39Å; E391-V444 HydrophobicContact CG-CG1 4.46Å; L392-V444 HydrophobicContact CD2-CB 4.34Å; L392-V444 HydrophobicContact CD2-CG2 4.45Å; A440-V444 WeakPolarHBondContact O-CB 3.49Å; A440-V444 WeakPolarHBondContact O-CG2 3.33Å; A440-V444 PolarHBondContact O-N 3.07Å; V444-C446 VanDerWaalsContact C-N 3.3Å; V444-C446 PolarHBondContact O-N 2.94Å; V444-H447 PolarHBondContact O-N 2.88Å
445S75.5Confident75.2Confident15 Ų1553.3 Ų53.311%0.10528%0.275CS..Hα-helixtrans-64-30176.5-67.90000114.1L388 F441 H443 H447 L448L388-S445 VanDerWaalsContact CD1-OG 3.28Å; L388-S445 WeakPolarHBondContact CD1-OG 3.42Å; F441-S445 WeakPolarHBondContact CE1-OG 3.11Å; F441-S445 WeakPolarHBondContact O-CB 3.41Å; F441-S445 PolarHBondContact O-N 2.81Å; F441-S445 PolarHBondContact O-OG 2.87Å; H443-S445 VanDerWaalsContact C-N 3.33Å; H443-S445 PolarHBondContact O-N 3.45Å; S445-H447 PolarHBondContact O-N 3.47Å; S445-L448 WeakPolarHBondContact O-CB 3.29Å; S445-L448 PolarHBondContact O-N 3.14Å
446C69.6Low74.5Confident46 Ų4657.4 Ų57.431%0.31129%0.285SS..Hα-helixtrans-73.7-15.2-177.6910000112.7V362 Q442 H443 V444V362-C446 HydrophobicContact CG1-CB 4.12Å; Q442-C446 WeakPolarHBondContact O-CB 2.92Å; Q442-C446 PolarHBondContact O-N 3.06Å; H443-C446 PolarHBondContact O-N 3.49Å; H443-C446 PolarHBondContact O-SG 2.9Å; V444-C446 VanDerWaalsContact C-N 3.3Å; V444-C446 PolarHBondContact O-N 2.94Å
447H70.1Confident73.3Confident91 Ų9161.1 Ų61.142%0.42131%0.311SS..THydrogen-bonded Turntrans-84.3-4.7172-61.8-64.2000114H443 V444 S445 M449 L495H443-H447 AromaticContact CE1-NE2 3.6Å; H443-H447 AromaticContact NE2-NE2 3.85Å; H443-H447 PolarHBondContact O-CD2 3.38Å; V444-H447 PolarHBondContact O-N 2.88Å; S445-H447 PolarHBondContact O-N 3.47Å; H447-M449 PolarHBondContact O-N 3.32Å; H447-L495 HydrophobicContact CB-CD2 3.65Å
448L76.3Confident71.8Confident39 Ų3962.2 Ų62.220%0.20432%0.316CS..  trans-67116.2172.9-74175.3000110.6L387 L388 S445 L495L387-L448 HydrophobicContact CB-CD2 4.21Å; L387-L448 HydrophobicContact CD1-CD2 4.47Å; L388-L448 HydrophobicContact CD1-CD1 4.07Å; L388-L448 HydrophobicContact CD1-CG 4.47Å; L388-L448 HydrophobicContact CD2-CD1 4.11Å; L388-L448 HydrophobicContact CD2-CD2 3.55Å; L388-L448 HydrophobicContact CD2-CG 3.74Å; L388-L448 HydrophobicContact CG-CD1 4.22Å; L388-L448 HydrophobicContact CG-CD2 4.38Å; L388-L448 HydrophobicContact CG-CG 4.4Å; S445-L448 WeakPolarHBondContact O-CB 3.29Å; S445-L448 PolarHBondContact O-N 3.14Å; L448-L495 HydrophobicContact CD2-CD2 4.29Å; L448-L495 HydrophobicContact CD2-CG 4.46Å
449M70.3Confident70.9Confident104 Ų10463.7 Ų63.751%0.51234%0.338SS..EExtended strand (participates in β ladder)trans-99.9159.8173.1-66.8-174.172.900111H447 T493 G494 P496 L499H447-M449 PolarHBondContact O-N 3.32Å; M449-T493 WeakPolarHBondContact O-CA 3.29Å; M449-G494 PolarHBondContact N-O 2.9Å; M449-G494 PolarHBondContact O-N 3.33Å; M449-G494 VanDerWaalsContact O-N 3.15Å; M449-P496 HydrophobicContact CG-CG 4.29Å; M449-P496 HydrophobicContact SD-CB 4.3Å; M449-P496 HydrophobicContact SD-CG 3.79Å; M449-L499 HydrophobicContact CB-CD1 3.62Å
450R75.8Confident69.9Low157 Ų15768.3 Ų68.359%0.59235%0.353SS*.EExtended strand (participates in β ladder)trans-122116.3171.5-177.6-178.5175.1-175.8-0.8108.8I491 L492R450-I491 HydrophobicContact CG-CG2 3.77Å; R450-I491 VanDerWaalsContact NE-CG2 3.28Å; R450-I491 VanDerWaalsContact NH2-CD1 3.34Å; R450-L492 CarbonylContact C-O 3.46Å; R450-L492 VanDerWaalsContact CA-O 3.31Å; R450-L492 WeakPolarHBondContact CA-O 3.44Å
451E72.3Confident68.7Low46 Ų4670.6 Ų70.622%0.21536%0.363CS..EExtended strand (participates in β ladder)trans-101.5148.2171.2-72.8-162.610800110.9I491 L492 L499 K503E451-I491 CarbonylContact O-C 3.58Å; E451-I491 WeakPolarHBondContact O-CA 3.36Å; E451-L492 PolarHBondContact N-O 3.15Å; E451-L492 PolarHBondContact O-N 2.87Å; E451-L499 HydrophobicContact CG-CD1 4.39Å; E451-K503 WeakPolarHBondContact OE1-CD 3.28Å; E451-K503 IonicContact OE1-NZ 2.7Å; E451-K503 PolarHBondContact OE1-NZ 3.22Å; E451-K503 VanDerWaalsContact OE2-CD 3.25Å; E451-K503 WeakPolarHBondContact OE2-CD 3.38Å; E451-K503 IonicContact OE2-NZ 2.74Å
452V74.3Confident67.5Low77 Ų7774.5 Ų74.547%0.46738%0.377SS..EExtended strand (participates in β ladder)trans-120.8123.1174-175.50000108.6L489 I491V452-L489 HydrophobicContact CG1-CB 4.28Å; V452-I491 HydrophobicContact CG2-CG1 4.31Å
453L73.8Confident66.6Low17 Ų1779.2 Ų79.29%0.08940%0.397CS..EExtended strand (participates in β ladder)trans-106.2116.9178-56.4179.3000109.3L455 L489 M490 L492 K503 V506L453-L455 PolarHBondContact O-N 3.42Å; L453-L489 WeakPolarHBondContact O-CA 3.41Å; L453-M490 HydrophobicContact CB-CB 4.4Å; L453-M490 PolarHBondContact N-O 2.9Å; L453-M490 PolarHBondContact O-N 3.19Å; L453-L492 HydrophobicContact CD1-CD1 3.84Å; L453-L492 HydrophobicContact CD1-CG 4.29Å; L453-K503 HydrophobicContact CD1-CG 4.3Å; L453-K503 HydrophobicContact CD2-CD 3.87Å; L453-K503 HydrophobicContact CD2-CG 3.86Å; L453-V506 HydrophobicContact CD1-CB 4.06Å; L453-V506 HydrophobicContact CD1-CG1 3.88Å; L453-V506 HydrophobicContact CD1-CG2 4.32Å
454L71Confident65.9Low120 Ų12078.6 Ų78.663%0.62839%0.394SS*.EExtended strand (participates in β ladder)trans-77.6111.8175.8-67175000109.8K456 S457L454-K456 PolarHBondContact O-N 3.18Å; L454-S457 PolarHBondContact O-OG 2.94Å; L454-S457 VanDerWaalsContact O-OG 3.12Å
455L66Low65.1Low3 Ų378.3 Ų78.32%0.01639%0.392CS..G310 helixtrans-77.4-3.2-173.9-58.2177.3000113.5L453 S457 L458 L465 Y466 L485 E488 M490L453-L455 PolarHBondContact O-N 3.42Å; L455-S457 PolarHBondContact O-N 2.97Å; L455-L458 PolarHBondContact O-N 3.33Å; L455-L465 HydrophobicContact CD1-CD1 4.24Å; L455-L465 HydrophobicContact CD2-CD1 3.58Å; L455-L465 HydrophobicContact CG-CD1 4.47Å; L455-Y466 VanDerWaalsContact CD1-OH 3.29Å; L455-Y466 WeakPolarHBondContact CD1-OH 3.27Å; L455-L485 HydrophobicContact CD1-CD1 3.58Å; L455-E488 WeakPolarHBondContact CB-O 3.48Å; L455-E488 PolarHBondContact N-O 3.19Å; L455-M490 HydrophobicContact CD1-CB 4.36Å; L455-M490 HydrophobicContact CD2-CB 4.15Å; L455-M490 HydrophobicContact CG-CB 4.47Å
456K61.3Low64.4Low130 Ų13082.1 Ų82.157%0.56541%0.405SS*.G310 helixtrans-64.6-26.1176.7-66.2-178.7-179.1176.50112.6L454 E488L454-K456 PolarHBondContact O-N 3.18Å; K456-E488 WeakPolarHBondContact CE-OE1 3.47Å; K456-E488 WeakPolarHBondContact CE-OE2 3.2Å; K456-E488 IonicContact NZ-OE1 3.69Å; K456-E488 PolarHBondContact NZ-OE1 2.7Å; K456-E488 IonicContact NZ-OE2 2.69Å; K456-E488 PolarHBondContact NZ-OE2 2.69Å
457S54.3Low64.1Low99 Ų9984.2 Ų84.269%0.69241%0.41SS*.G310 helixtrans-79.6-16.1177.157.50000114.6L454 L455 G459L454-S457 PolarHBondContact O-OG 2.94Å; L454-S457 VanDerWaalsContact O-OG 3.12Å; L455-S457 PolarHBondContact O-N 2.97Å; S457-G459 PolarHBondContact O-N 2.87Å
458L54.9Low63.7Low23 Ų2385.1 Ų85.112%0.1242%0.422CS..G310 helixtrans-87.73.5-166.7-138.677.3000115.2L455 K460 E461 L465 L507L455-L458 PolarHBondContact O-N 3.33Å; L458-K460 PolarHBondContact O-N 3.45Å; L458-E461 HydrophobicContact CD2-CB 4.08Å; L458-E461 HydrophobicContact CG-CB 4.15Å; L458-E461 PolarHBondContact O-N 3.47Å; L458-L465 HydrophobicContact CD2-CD1 3.72Å; L458-L465 HydrophobicContact CD2-CG 4.44Å; L458-L507 HydrophobicContact CD1-CD2 4.08Å
459G59.8Low63.5Low58 Ų5890.9 Ų90.960%0.59845%0.445SS*.G310 helixtrans48-121.7171.500000114.7S457 E461 R462S457-G459 PolarHBondContact O-N 2.87Å; G459-E461 VanDerWaalsContact C-N 3.3Å; G459-E461 PolarHBondContact O-N 2.89Å; G459-R462 WeakPolarHBondContact O-CB 3.43Å
460K52.5Low63.9Low199 Ų19986.5 Ų86.587%0.86542%0.423SS*.G310 helixtrans-68.6-23.6-177-68.4-178.7179.9176.80113.7L458 R462L458-K460 PolarHBondContact O-N 3.45Å; K460-R462 VanDerWaalsContact C-N 3.27Å; K460-R462 PolarHBondContact O-N 3.46Å
461E55Low63.8Low56 Ų5680 Ų8026%0.26240%0.403SS..G310 helixtrans-75.8-17.9-176-56.7-170.5156.500112.4L458 G459 K463 H464 G509 K512L458-E461 HydrophobicContact CD2-CB 4.08Å; L458-E461 HydrophobicContact CG-CB 4.15Å; L458-E461 PolarHBondContact O-N 3.47Å; G459-E461 VanDerWaalsContact C-N 3.3Å; G459-E461 PolarHBondContact O-N 2.89Å; E461-K463 PolarHBondContact O-N 3.15Å; E461-H464 PolarHBondContact O-N 2.8Å; E461-G509 WeakPolarHBondContact OE2-CA 3.28Å; E461-G509 PolarHBondContact OE2-N 3.43Å; E461-K512 IonicContact OE1-NZ 3.33Å
462R56.2Low64.1Low86 Ų8681.8 Ų81.833%0.32542%0.415SS..Hα-helixtrans-51.1-29.9174.7-173.4172.1177-169.60.5113.5G459 K460 H464 Y466 Q487G459-R462 WeakPolarHBondContact O-CB 3.43Å; K460-R462 VanDerWaalsContact C-N 3.27Å; K460-R462 PolarHBondContact O-N 3.46Å; R462-H464 VanDerWaalsContact C-N 3.32Å; R462-H464 PolarHBondContact O-N 2.88Å; R462-Y466 HydrophobicContact CG-CE2 3.83Å; R462-Y466 WeakPolarHBondContact O-CD2 3.27Å; R462-Y466 VanDerWaalsContact O-CE2 3.31Å; R462-Y466 WeakPolarHBondContact O-CE2 3.33Å; R462-Q487 PolarHBondContact NH2-O 2.98Å
463K58.2Low64.3Low173 Ų17380.4 Ų80.475%0.75241%0.405SS*.Hα-helixtrans-71.2-18.7178.5-72.9-171.3176.6-174.10114.8E461 Q467E461-K463 PolarHBondContact O-N 3.15Å; K463-Q467 PolarHBondContact O-NE2 3.26Å
464H61.3Low64.8Low101 Ų10179.6 Ų79.647%0.46840%0.4SS..Hα-helixtrans-86.3-31.3179.5-69.5-82.1000112.5E461 R462 Y466 Q467 F470E461-H464 PolarHBondContact O-N 2.8Å; R462-H464 VanDerWaalsContact C-N 3.32Å; R462-H464 PolarHBondContact O-N 2.88Å; H464-Y466 VanDerWaalsContact C-N 3.32Å; H464-Y466 PolarHBondContact O-N 2.92Å; H464-Q467 WeakPolarHBondContact O-CB 3.32Å; H464-Q467 PolarHBondContact O-N 2.89Å; H464-Q467 VanDerWaalsContact O-N 3.13Å; H464-F470 WeakPolarHBondContact O-CB 3.3Å
465L58.8Low65.3Low4 Ų480.8 Ų80.82%0.02140%0.396CS..Hα-helixtrans-64-32.8-177.1-60.1178.4000113.7L455 L458 Q467 F470 L485 V506L455-L465 HydrophobicContact CD1-CD1 4.24Å; L455-L465 HydrophobicContact CD2-CD1 3.58Å; L455-L465 HydrophobicContact CG-CD1 4.47Å; L458-L465 HydrophobicContact CD2-CD1 3.72Å; L458-L465 HydrophobicContact CD2-CG 4.44Å; L465-Q467 VanDerWaalsContact C-N 3.27Å; L465-Q467 PolarHBondContact O-N 2.89Å; L465-F470 HydrophobicContact CB-CD1 4.44Å; L465-F470 HydrophobicContact CD2-CD1 4.06Å; L465-F470 HydrophobicContact CD2-CD2 3.96Å; L465-F470 HydrophobicContact CD2-CE1 3.64Å; L465-F470 HydrophobicContact CD2-CE2 3.5Å; L465-F470 HydrophobicContact CD2-CG 4.22Å; L465-F470 HydrophobicContact CD2-CZ 3.35Å; L465-F470 WeakPolarHBondContact O-CD1 3.47Å; L465-L485 HydrophobicContact CB-CD2 4.38Å; L465-L485 WeakPolarHBondContact O-CD2 3.46Å; L465-V506 HydrophobicContact CD2-CG1 4.46Å
466Y60.2Low66.1Low96 Ų9689.1 Ų89.138%0.37643%0.432SS..THydrogen-bonded Turntrans-82.91.6178.1-58.3-77.5000114L455 R462 H464 L485 N486 Q487L455-Y466 VanDerWaalsContact CD1-OH 3.29Å; L455-Y466 WeakPolarHBondContact CD1-OH 3.27Å; R462-Y466 HydrophobicContact CG-CE2 3.83Å; R462-Y466 WeakPolarHBondContact O-CD2 3.27Å; R462-Y466 VanDerWaalsContact O-CE2 3.31Å; R462-Y466 WeakPolarHBondContact O-CE2 3.33Å; H464-Y466 VanDerWaalsContact C-N 3.32Å; H464-Y466 PolarHBondContact O-N 2.92Å; Y466-L485 HydrophobicContact CD1-CD2 3.88Å; Y466-L485 HydrophobicContact CD1-CG 4.27Å; Y466-L485 HydrophobicContact CE1-CD1 4.24Å; Y466-L485 HydrophobicContact CE1-CD2 3.99Å; Y466-L485 HydrophobicContact CE1-CG 3.91Å; Y466-N486 PolarHBondContact OH-O 3.35Å; Y466-Q487 WeakPolarHBondContact OH-CA 3.49Å; Y466-Q487 PolarHBondContact OH-O 2.87Å
467Q63.3Low67Low90 Ų9089.7 Ų89.742%0.42143%0.431SS..SBendtrans-80.5133.6173.9-59.3-179.718.200109K463 H464 L465 K469 F470 A471K463-Q467 PolarHBondContact O-NE2 3.26Å; H464-Q467 WeakPolarHBondContact O-CB 3.32Å; H464-Q467 PolarHBondContact O-N 2.89Å; H464-Q467 VanDerWaalsContact O-N 3.13Å; L465-Q467 VanDerWaalsContact C-N 3.27Å; L465-Q467 PolarHBondContact O-N 2.89Å; Q467-K469 PolarHBondContact O-N 3.01Å; Q467-K469 VanDerWaalsContact O-N 3.13Å; Q467-F470 WeakPolarHBondContact O-CB 3.26Å; Q467-F470 PolarHBondContact O-N 3.28Å; Q467-A471 PolarHBondContact O-N 2.77Å
468T61.7Low68.5Low110 Ų11086.2 Ų86.268%0.67540%0.404SS*.Hα-helixtrans-51.7-38176.345.90000112.3F470 A471 D472T468-F470 VanDerWaalsContact C-N 3.26Å; T468-F470 PolarHBondContact O-N 2.93Å; T468-A471 WeakPolarHBondContact O-CB 3.4Å; T468-A471 PolarHBondContact O-N 2.62Å; T468-D472 PolarHBondContact O-N 2.64Å
469K72.3Confident69.6Low159 Ų15989.4 Ų89.469%0.69143%0.426SS*.Hα-helixtrans-53.4-36.5173.2-65.8-174.3177.8-1780114.1Q467 D473Q467-K469 PolarHBondContact O-N 3.01Å; Q467-K469 VanDerWaalsContact O-N 3.13Å; K469-D473 WeakPolarHBondContact O-CB 3.42Å; K469-D473 PolarHBondContact O-N 3.18Å
470F78.8Confident70.6Confident12 Ų1287.7 Ų87.75%0.05340%0.403CS..Hα-helixtrans-70-43.7175.9173.6-92.9000111.1H464 L465 Q467 T468 D472 D473 F474 M490 Y505 V506H464-F470 WeakPolarHBondContact O-CB 3.3Å; L465-F470 HydrophobicContact CB-CD1 4.44Å; L465-F470 HydrophobicContact CD2-CD1 4.06Å; L465-F470 HydrophobicContact CD2-CD2 3.96Å; L465-F470 HydrophobicContact CD2-CE1 3.64Å; L465-F470 HydrophobicContact CD2-CE2 3.5Å; L465-F470 HydrophobicContact CD2-CG 4.22Å; L465-F470 HydrophobicContact CD2-CZ 3.35Å; L465-F470 WeakPolarHBondContact O-CD1 3.47Å; Q467-F470 WeakPolarHBondContact O-CB 3.26Å; Q467-F470 PolarHBondContact O-N 3.28Å; T468-F470 VanDerWaalsContact C-N 3.26Å; T468-F470 PolarHBondContact O-N 2.93Å; F470-D472 PolarHBondContact O-N 2.68Å; F470-D473 PolarHBondContact O-N 3.36Å; F470-F474 HydrophobicContact CE1-CB 4.33Å; F470-F474 HydrophobicContact CE1-CD2 4.31Å; F470-F474 HydrophobicContact CZ-CB 4.36Å; F470-F474 AromaticContact CZ-CD2 3.87Å; F470-F474 HydrophobicContact CZ-CD2 3.87Å; F470-F474 HydrophobicContact CZ-CG 4.47Å; F470-F474 WeakPolarHBondContact O-CB 3.2Å; F470-F474 PolarHBondContact O-N 3.45Å; F470-M490 HydrophobicContact CE1-CE 3.88Å; F470-M490 HydrophobicContact CZ-CE 4.23Å; F470-Y505 HydrophobicContact CD2-CE1 4.27Å; F470-Y505 HydrophobicContact CE2-CD1 4.27Å; F470-Y505 AromaticContact CE2-CE1 3.49Å; F470-Y505 HydrophobicContact CE2-CE1 3.49Å; F470-Y505 VanDerWaalsContact CE2-CE1 3.49Å; F470-Y505 HydrophobicContact CZ-CE1 4.05Å; F470-V506 HydrophobicContact CZ-CG2 4.26Å
471A74.3Confident72Confident21 Ų2178.5 Ų78.517%0.17436%0.363CS..Hα-helixtrans-62.1-33177.600000112.8Q467 T468 R475 F483Q467-A471 PolarHBondContact O-N 2.77Å; T468-A471 WeakPolarHBondContact O-CB 3.4Å; T468-A471 PolarHBondContact O-N 2.62Å; A471-R475 WeakPolarHBondContact O-CB 3.31Å; A471-R475 VanDerWaalsContact O-CG 3.31Å; A471-R475 WeakPolarHBondContact O-CG 3.43Å; A471-R475 PolarHBondContact O-N 2.85Å; A471-R475 PolarHBondContact O-NE 3.15Å; A471-F483 HydrophobicContact CB-CZ 3.77Å
472D77.3Confident73.2Confident84 Ų8480 Ų8045%0.44937%0.37SS..Hα-helixtrans-78.2-46.6177.5-62.3-28.3000112.3T468 F470 F474 R475 K476T468-D472 PolarHBondContact O-N 2.64Å; F470-D472 PolarHBondContact O-N 2.68Å; D472-F474 VanDerWaalsContact C-N 3.35Å; D472-F474 PolarHBondContact O-N 3Å; D472-R475 PolarHBondContact O-N 3.12Å; D472-R475 IonicContact OD1-CZ 3.03Å; D472-R475 IonicContact OD1-NE 3.14Å; D472-R475 IonicContact OD1-NH2 2.68Å; D472-R475 PolarHBondContact OD1-NH2 3.39Å; D472-K476 WeakPolarHBondContact O-CB 3.41Å; D472-K476 PolarHBondContact O-N 3.29Å
473D79.8Confident74.4Confident48 Ų4877.5 Ų77.526%0.25736%0.362SS..Hα-helixtrans-65.8-37.2176.6-166.452.4000111.7K469 F470 K476 R477 Y505K469-D473 WeakPolarHBondContact O-CB 3.42Å; K469-D473 PolarHBondContact O-N 3.18Å; F470-D473 PolarHBondContact O-N 3.36Å; D473-K476 PolarHBondContact O-N 3.06Å; D473-R477 VanDerWaalsContact CG-NE 3.29Å; D473-R477 WeakPolarHBondContact O-CB 3.06Å; D473-R477 WeakPolarHBondContact O-CG 3.46Å; D473-R477 PolarHBondContact O-N 3.36Å; D473-R477 IonicContact OD1-CZ 2.77Å; D473-R477 IonicContact OD1-NE 2.88Å; D473-R477 PolarHBondContact OD1-NE 2.87Å; D473-R477 IonicContact OD1-NH2 2.61Å; D473-R477 PolarHBondContact OD1-NH2 3.24Å; D473-R477 IonicContact OD2-CZ 3.68Å; D473-R477 IonicContact OD2-NE 2.7Å; D473-R477 PolarHBondContact OD2-NE 2.96Å; D473-R477 IonicContact OD2-NH2 3.25Å; D473-R477 PolarHBondContact OD2-NH2 2.83Å; D473-Y505 PolarHBondContact OD2-OH 3.17Å
474F83.3Confident75.3Confident0 Ų072.1 Ų72.10%034%0.343CS..Hα-helixtrans-61.5-49.3173.6-174.8-79.9000111.5F470 D472 K476 R477 H478 V481 F483 M490 L492 A502 Y505 V506F470-F474 HydrophobicContact CE1-CB 4.33Å; F470-F474 HydrophobicContact CE1-CD2 4.31Å; F470-F474 HydrophobicContact CZ-CB 4.36Å; F470-F474 AromaticContact CZ-CD2 3.87Å; F470-F474 HydrophobicContact CZ-CD2 3.87Å; F470-F474 HydrophobicContact CZ-CG 4.47Å; F470-F474 WeakPolarHBondContact O-CB 3.2Å; F470-F474 PolarHBondContact O-N 3.45Å; D472-F474 VanDerWaalsContact C-N 3.35Å; D472-F474 PolarHBondContact O-N 3Å; F474-K476 VanDerWaalsContact C-N 3.27Å; F474-K476 PolarHBondContact O-N 3.45Å; F474-R477 PolarHBondContact O-N 2.82Å; F474-H478 HydrophobicContact CD1-CB 4.44Å; F474-H478 HydrophobicContact CE1-CB 4.1Å; F474-H478 AromaticContact CE2-CD2 3.97Å; F474-H478 HydrophobicContact CZ-CB 4.29Å; F474-H478 WeakPolarHBondContact O-CB 3.48Å; F474-H478 PolarHBondContact O-N 3.39Å; F474-V481 HydrophobicContact CE1-CB 4.37Å; F474-V481 HydrophobicContact CE1-CG1 4.22Å; F474-V481 HydrophobicContact CZ-CG1 4.1Å; F474-F483 HydrophobicContact CB-CE1 4.34Å; F474-F483 AromaticContact CD1-CD1 3.29Å; F474-F483 HydrophobicContact CD1-CD1 3.29Å; F474-F483 AromaticContact CD1-CE1 3.51Å; F474-F483 HydrophobicContact CD1-CE1 3.51Å; F474-F483 HydrophobicContact CD1-CG 4.2Å; F474-F483 HydrophobicContact CE1-CB 4.15Å; F474-F483 AromaticContact CE1-CD1 3.43Å; F474-F483 HydrophobicContact CE1-CD1 3.43Å; F474-F483 VanDerWaalsContact CE1-CD1 3.43Å; F474-F483 HydrophobicContact CE1-CE1 4.14Å; F474-F483 HydrophobicContact CE1-CG 4.05Å; F474-F483 HydrophobicContact CG-CD1 4.2Å; F474-F483 HydrophobicContact CG-CE1 4.14Å; F474-F483 HydrophobicContact CZ-CD1 4.4Å; F474-M490 HydrophobicContact CD2-CE 4.11Å; F474-M490 HydrophobicContact CE2-CE 3.89Å; F474-M490 HydrophobicContact CZ-CE 4.11Å; F474-L492 HydrophobicContact CE2-CD2 4.38Å; F474-L492 HydrophobicContact CZ-CD2 3.75Å; F474-A502 HydrophobicContact CE2-CB 4.04Å; F474-A502 HydrophobicContact CZ-CB 3.77Å; F474-Y505 HydrophobicContact CB-CE1 4.31Å; F474-Y505 AromaticContact CD2-CD1 3.69Å; F474-Y505 HydrophobicContact CD2-CD1 3.69Å; F474-Y505 AromaticContact CD2-CE1 3.81Å; F474-Y505 HydrophobicContact CD2-CE1 3.81Å; F474-Y505 HydrophobicContact CE2-CD1 4.19Å; F474-V506 HydrophobicContact CD2-CG2 4.31Å; F474-V506 HydrophobicContact CE2-CG2 3.77Å
475R82Confident75.9Confident144 Ų14469.3 Ų69.354%0.54333%0.332SS..Hα-helixtrans-60.7-36.6176.6-78.4180-73.5-169.61.4112.2A471 D472 F483A471-R475 WeakPolarHBondContact O-CB 3.31Å; A471-R475 VanDerWaalsContact O-CG 3.31Å; A471-R475 WeakPolarHBondContact O-CG 3.43Å; A471-R475 PolarHBondContact O-N 2.85Å; A471-R475 PolarHBondContact O-NE 3.15Å; D472-R475 PolarHBondContact O-N 3.12Å; D472-R475 IonicContact OD1-CZ 3.03Å; D472-R475 IonicContact OD1-NE 3.14Å; D472-R475 IonicContact OD1-NH2 2.68Å; D472-R475 PolarHBondContact OD1-NH2 3.39Å; R475-F483 HydrophobicContact CG-CE1 4.06Å
476K82.1Confident76.4Confident178 Ų17873.2 Ų73.277%0.77435%0.353SS*.Hα-helixtrans-69.7-37.2177.6-171.4174.8-179.4-179.70113D472 D473 F474D472-K476 WeakPolarHBondContact O-CB 3.41Å; D472-K476 PolarHBondContact O-N 3.29Å; D473-K476 PolarHBondContact O-N 3.06Å; F474-K476 VanDerWaalsContact C-N 3.27Å; F474-K476 PolarHBondContact O-N 3.45Å
477R81.7Confident76.4Confident143 Ų14376.3 Ų76.354%0.5437%0.37SS..Hα-helixtrans-85.1-27.3179.4-67.7-178.6-163.1-95.1-4.9114.1D473 F474 P479D473-R477 VanDerWaalsContact CG-NE 3.29Å; D473-R477 WeakPolarHBondContact O-CB 3.06Å; D473-R477 WeakPolarHBondContact O-CG 3.46Å; D473-R477 PolarHBondContact O-N 3.36Å; D473-R477 IonicContact OD1-CZ 2.77Å; D473-R477 IonicContact OD1-NE 2.88Å; D473-R477 PolarHBondContact OD1-NE 2.87Å; D473-R477 IonicContact OD1-NH2 2.61Å; D473-R477 PolarHBondContact OD1-NH2 3.24Å; D473-R477 IonicContact OD2-CZ 3.68Å; D473-R477 IonicContact OD2-NE 2.7Å; D473-R477 PolarHBondContact OD2-NE 2.96Å; D473-R477 IonicContact OD2-NH2 3.25Å; D473-R477 PolarHBondContact OD2-NH2 2.83Å; F474-R477 PolarHBondContact O-N 2.82Å; R477-P479 VanDerWaalsContact C-CD 3.46Å
478H84.3Confident76.4Confident26 Ų2676.4 Ų76.412%0.1237%0.371CS..  trans-130.861.2-174.9-57.2-66.5000111.5F474 N480 V481 A502 Y505F474-H478 HydrophobicContact CD1-CB 4.44Å; F474-H478 HydrophobicContact CE1-CB 4.1Å; F474-H478 AromaticContact CE2-CD2 3.97Å; F474-H478 HydrophobicContact CZ-CB 4.29Å; F474-H478 WeakPolarHBondContact O-CB 3.48Å; F474-H478 PolarHBondContact O-N 3.39Å; H478-N480 PolarHBondContact O-N 3.21Å; H478-V481 HydrophobicContact CB-CB 4.14Å; H478-V481 HydrophobicContact CB-CG2 4.26Å; H478-V481 PolarHBondContact O-N 3.19Å; H478-A502 HydrophobicContact CB-CB 4.37Å; H478-Y505 WeakPolarHBondContact NE2-CB 2.93Å; H478-Y505 AromaticContact NE2-CD1 3.88Å; H478-Y505 AromaticContact NE2-CG 3.55Å
479P78.7Confident77Confident89 Ų8973.6 Ų73.658%0.57835%0.351SS*.THydrogen-bonded Turntrans-59.7-34.5-179.123.9-33.7000112.7R477 V481R477-P479 VanDerWaalsContact C-CD 3.46Å; P479-V481 PolarHBondContact O-N 2.93Å; P479-V481 VanDerWaalsContact O-N 3.16Å
480N80.6Confident77.3Confident22 Ų2266 Ų6612%0.11832%0.318CS..THydrogen-bonded Turntrans-8117.3178.8-54.521000112.8T390 H478 H498T390-N480 PolarHBondContact OG1-ND2 2.95Å; T390-N480 VanDerWaalsContact OG1-ND2 3.14Å; H478-N480 PolarHBondContact O-N 3.21Å; N480-H498 HydrophobicContact CB-CB 4.47Å; N480-H498 PolarHBondContact ND2-NE2 3.05Å
481V81.4Confident77.2Confident6 Ų666.2 Ų66.24%0.03632%0.32CS..EExtended strand (participates in β ladder)trans-133.4113.1175.7-176.50000110.5F474 H478 P479 L492 T493 H498 L499 A502F474-V481 HydrophobicContact CE1-CB 4.37Å; F474-V481 HydrophobicContact CE1-CG1 4.22Å; F474-V481 HydrophobicContact CZ-CG1 4.1Å; H478-V481 HydrophobicContact CB-CB 4.14Å; H478-V481 HydrophobicContact CB-CG2 4.26Å; H478-V481 PolarHBondContact O-N 3.19Å; P479-V481 PolarHBondContact O-N 2.93Å; P479-V481 VanDerWaalsContact O-N 3.16Å; V481-L492 HydrophobicContact CG1-CB 4.11Å; V481-L492 HydrophobicContact CG1-CD2 4.28Å; V481-T493 WeakPolarHBondContact CA-O 3.29Å; V481-H498 HydrophobicContact CG2-CB 3.64Å; V481-L499 HydrophobicContact CG1-CD2 3.97Å; V481-A502 HydrophobicContact CB-CB 4.35Å; V481-A502 HydrophobicContact CG1-CB 4.12Å; V481-A502 HydrophobicContact CG2-CB 3.98Å
482H81Confident77.6Confident88 Ų8865.2 Ų65.241%0.40731%0.312SS..EExtended strand (participates in β ladder)trans-81.1138.9170.1179.1-82.3000108.6L387 L492 T493L387-H482 HydrophobicContact CD1-CB 3.96Å; L387-H482 HydrophobicContact CD2-CB 3.88Å; L387-H482 VanDerWaalsContact CD2-N 3.27Å; L387-H482 HydrophobicContact CG-CB 4.38Å; H482-L492 CarbonylContact O-C 3.58Å; H482-T493 PolarHBondContact N-O 3.04Å; H482-T493 PolarHBondContact O-N 3.27Å
483F80.8Confident77.6Confident33 Ų3362.9 Ų62.915%0.14530%0.301CS..EExtended strand (participates in β ladder)trans-131.1151.8173.878-85.3000113A471 F474 R475 L485 M490 I491 L492A471-F483 HydrophobicContact CB-CZ 3.77Å; F474-F483 HydrophobicContact CB-CE1 4.34Å; F474-F483 AromaticContact CD1-CD1 3.29Å; F474-F483 HydrophobicContact CD1-CD1 3.29Å; F474-F483 AromaticContact CD1-CE1 3.51Å; F474-F483 HydrophobicContact CD1-CE1 3.51Å; F474-F483 HydrophobicContact CD1-CG 4.2Å; F474-F483 HydrophobicContact CE1-CB 4.15Å; F474-F483 AromaticContact CE1-CD1 3.43Å; F474-F483 HydrophobicContact CE1-CD1 3.43Å; F474-F483 VanDerWaalsContact CE1-CD1 3.43Å; F474-F483 HydrophobicContact CE1-CE1 4.14Å; F474-F483 HydrophobicContact CE1-CG 4.05Å; F474-F483 HydrophobicContact CG-CD1 4.2Å; F474-F483 HydrophobicContact CG-CE1 4.14Å; F474-F483 HydrophobicContact CZ-CD1 4.4Å; R475-F483 HydrophobicContact CG-CE1 4.06Å; F483-L485 HydrophobicContact CD2-CB 4.13Å; F483-L485 HydrophobicContact CE2-CB 4.01Å; F483-M490 HydrophobicContact CB-CE 3.82Å; F483-M490 HydrophobicContact CD1-CE 4.36Å; F483-M490 HydrophobicContact CD2-CE 3.46Å; F483-M490 VanDerWaalsContact CD2-CE 3.46Å; F483-M490 HydrophobicContact CD2-CG 4.49Å; F483-M490 HydrophobicContact CE2-CE 4.1Å; F483-M490 HydrophobicContact CG-CE 3.62Å; F483-I491 CarbonylContact C-O 3.39Å; F483-I491 WeakPolarHBondContact CA-O 3.18Å; F483-I491 WeakPolarHBondContact CB-O 3.44Å; F483-L492 HydrophobicContact CB-CD2 3.63Å
484V77Confident77.7Confident60 Ų6060.6 Ų60.636%0.36429%0.288SS..EExtended strand (participates in β ladder)trans-123.7124.9168.4-176.90000107.6M490 I491V484-M490 WeakPolarHBondContact O-CA 3.3Å; V484-I491 HydrophobicContact CB-CB 4.3Å; V484-I491 HydrophobicContact CB-CD1 4.31Å; V484-I491 PolarHBondContact N-O 2.81Å; V484-I491 PolarHBondContact O-N 2.83Å
485L74.9Confident77.5Confident43 Ų4361.3 Ų61.323%0.22529%0.292CS..EExtended strand (participates in β ladder)trans-111.8115.7-178.4-179.868.1000110.1L455 L465 Y466 F483 M490L455-L485 HydrophobicContact CD1-CD1 3.58Å; L465-L485 HydrophobicContact CB-CD2 4.38Å; L465-L485 WeakPolarHBondContact O-CD2 3.46Å; Y466-L485 HydrophobicContact CD1-CD2 3.88Å; Y466-L485 HydrophobicContact CD1-CG 4.27Å; Y466-L485 HydrophobicContact CE1-CD1 4.24Å; Y466-L485 HydrophobicContact CE1-CD2 3.99Å; Y466-L485 HydrophobicContact CE1-CG 3.91Å; F483-L485 HydrophobicContact CD2-CB 4.13Å; F483-L485 HydrophobicContact CE2-CB 4.01Å; L485-M490 HydrophobicContact CD1-CB 3.95Å; L485-M490 HydrophobicContact CD1-CG 4.11Å
486N68.8Low77.2Confident86 Ų8657.2 Ų57.246%0.4628%0.284SS..  trans-111.3167.5171.4-70-2.2000109.6Y466 E488 L489Y466-N486 PolarHBondContact OH-O 3.35Å; N486-E488 PolarHBondContact O-N 2.72Å; N486-L489 HydrophobicContact CB-CD1 4.31Å; N486-L489 HydrophobicContact CB-CG 4.31Å; N486-L489 PolarHBondContact N-O 2.87Å; N486-L489 PolarHBondContact O-N 3.48Å
487Q61Low77.1Confident160 Ų16054.7 Ų54.775%0.74828%0.279SS*.SBendtrans-56.3-22.5-174.9-66.5-174.8-0.400115.3R462 Y466R462-Q487 PolarHBondContact NH2-O 2.98Å; Y466-Q487 WeakPolarHBondContact OH-CA 3.49Å; Y466-Q487 PolarHBondContact OH-O 2.87Å
488E62.6Low77.1Confident92 Ų9250.1 Ų50.143%0.4326%0.264SS..SBendtrans-117.6-18.1-178.3-57.1-143.4124.100115L455 K456 N486L455-E488 WeakPolarHBondContact CB-O 3.48Å; L455-E488 PolarHBondContact N-O 3.19Å; K456-E488 WeakPolarHBondContact CE-OE1 3.47Å; K456-E488 WeakPolarHBondContact CE-OE2 3.2Å; K456-E488 IonicContact NZ-OE1 3.69Å; K456-E488 PolarHBondContact NZ-OE1 2.7Å; K456-E488 IonicContact NZ-OE2 2.69Å; K456-E488 PolarHBondContact NZ-OE2 2.69Å; N486-E488 PolarHBondContact O-N 2.72Å
489L74.4Confident77Confident51 Ų5149 Ų4927%0.26726%0.259SS..EExtended strand (participates in β ladder)trans-148145.1-168.460.491.4000112.2V452 L453 N486 I491V452-L489 HydrophobicContact CG1-CB 4.28Å; L453-L489 WeakPolarHBondContact O-CA 3.41Å; N486-L489 HydrophobicContact CB-CD1 4.31Å; N486-L489 HydrophobicContact CB-CG 4.31Å; N486-L489 PolarHBondContact N-O 2.87Å; N486-L489 PolarHBondContact O-N 3.48Å; L489-I491 HydrophobicContact CD1-CD1 3.62Å; L489-I491 HydrophobicContact CD1-CG1 3.73Å
490M78.4Confident77.1Confident0 Ų047.6 Ų47.60%026%0.255CS..EExtended strand (participates in β ladder)trans-115121.8170.6-171.2-179.1-171.300108.7L453 L455 F470 F474 F483 V484 L485 L492 V506L453-M490 HydrophobicContact CB-CB 4.4Å; L453-M490 PolarHBondContact N-O 2.9Å; L453-M490 PolarHBondContact O-N 3.19Å; L455-M490 HydrophobicContact CD1-CB 4.36Å; L455-M490 HydrophobicContact CD2-CB 4.15Å; L455-M490 HydrophobicContact CG-CB 4.47Å; F470-M490 HydrophobicContact CE1-CE 3.88Å; F470-M490 HydrophobicContact CZ-CE 4.23Å; F474-M490 HydrophobicContact CD2-CE 4.11Å; F474-M490 HydrophobicContact CE2-CE 3.89Å; F474-M490 HydrophobicContact CZ-CE 4.11Å; F483-M490 HydrophobicContact CB-CE 3.82Å; F483-M490 HydrophobicContact CD1-CE 4.36Å; F483-M490 HydrophobicContact CD2-CE 3.46Å; F483-M490 VanDerWaalsContact CD2-CE 3.46Å; F483-M490 HydrophobicContact CD2-CG 4.49Å; F483-M490 HydrophobicContact CE2-CE 4.1Å; F483-M490 HydrophobicContact CG-CE 3.62Å; V484-M490 WeakPolarHBondContact O-CA 3.3Å; L485-M490 HydrophobicContact CD1-CB 3.95Å; L485-M490 HydrophobicContact CD1-CG 4.11Å; M490-L492 HydrophobicContact CE-CD2 3.72Å; M490-L492 HydrophobicContact CG-CD2 4.08Å; M490-L492 HydrophobicContact SD-CD2 4.1Å; M490-V506 HydrophobicContact CE-CG2 3.96Å; M490-V506 HydrophobicContact SD-CB 4.46Å; M490-V506 HydrophobicContact SD-CG1 3.92Å; M490-V506 HydrophobicContact SD-CG2 3.59Å; M490-V506 VanDerWaalsContact SD-CG2 3.59Å
491I77.1Confident77.3Confident16 Ų1652.9 Ų52.98%0.08228%0.276CS..EExtended strand (participates in β ladder)trans-95.1128.2174.8-65.8148.3000107.5R450 E451 V452 F483 V484 L489R450-I491 HydrophobicContact CG-CG2 3.77Å; R450-I491 VanDerWaalsContact NE-CG2 3.28Å; R450-I491 VanDerWaalsContact NH2-CD1 3.34Å; E451-I491 CarbonylContact O-C 3.58Å; E451-I491 WeakPolarHBondContact O-CA 3.36Å; V452-I491 HydrophobicContact CG2-CG1 4.31Å; F483-I491 CarbonylContact C-O 3.39Å; F483-I491 WeakPolarHBondContact CA-O 3.18Å; F483-I491 WeakPolarHBondContact CB-O 3.44Å; V484-I491 HydrophobicContact CB-CB 4.3Å; V484-I491 HydrophobicContact CB-CD1 4.31Å; V484-I491 PolarHBondContact N-O 2.81Å; V484-I491 PolarHBondContact O-N 2.83Å; L489-I491 HydrophobicContact CD1-CD1 3.62Å; L489-I491 HydrophobicContact CD1-CG1 3.73Å
492L81.6Confident77.5Confident0 Ų052.6 Ų52.60%028%0.275CS..EExtended strand (participates in β ladder)trans-112.4136172.2-56.2-175.7000109.5R450 E451 L453 F474 V481 H482 F483 M490 L499 A502 K503R450-L492 CarbonylContact C-O 3.46Å; R450-L492 VanDerWaalsContact CA-O 3.31Å; R450-L492 WeakPolarHBondContact CA-O 3.44Å; E451-L492 PolarHBondContact N-O 3.15Å; E451-L492 PolarHBondContact O-N 2.87Å; L453-L492 HydrophobicContact CD1-CD1 3.84Å; L453-L492 HydrophobicContact CD1-CG 4.29Å; F474-L492 HydrophobicContact CE2-CD2 4.38Å; F474-L492 HydrophobicContact CZ-CD2 3.75Å; V481-L492 HydrophobicContact CG1-CB 4.11Å; V481-L492 HydrophobicContact CG1-CD2 4.28Å; H482-L492 CarbonylContact O-C 3.58Å; F483-L492 HydrophobicContact CB-CD2 3.63Å; M490-L492 HydrophobicContact CE-CD2 3.72Å; M490-L492 HydrophobicContact CG-CD2 4.08Å; M490-L492 HydrophobicContact SD-CD2 4.1Å; L492-L499 HydrophobicContact CB-CD2 3.46Å; L492-L499 VanDerWaalsContact CB-CD2 3.46Å; L492-A502 HydrophobicContact CD1-CB 4.16Å; L492-K503 HydrophobicContact CD1-CB 4.25Å
493T77.6Confident77.6Confident36 Ų3651.7 Ų51.722%0.22127%0.27CS..EExtended strand (participates in β ladder)trans-131.2125.1177.3-54.80000109.9L387 M449 V481 H482L387-T493 HydrophobicContact CD1-CG2 4.28Å; M449-T493 WeakPolarHBondContact O-CA 3.29Å; V481-T493 WeakPolarHBondContact CA-O 3.29Å; H482-T493 PolarHBondContact N-O 3.04Å; H482-T493 PolarHBondContact O-N 3.27Å
494G82.9Confident77.6Confident0 Ų055.3 Ų55.30%029%0.287CS..EExtended strand (participates in β ladder)trans172.4-174.5-17600000112.1M449 L499M449-G494 PolarHBondContact N-O 2.9Å; M449-G494 PolarHBondContact O-N 3.33Å; M449-G494 VanDerWaalsContact O-N 3.15Å; G494-L499 VanDerWaalsContact O-CD1 3.22Å; G494-L499 WeakPolarHBondContact O-CD1 3.26Å
495L78.1Confident77.9Confident14 Ų1454 Ų547%0.07328%0.276CS..  trans-75.3153.1173.7-61172.7000111.2L388 E391 H447 L448 N497 H498 L499L388-L495 HydrophobicContact CD2-CD1 4.34Å; L388-L495 HydrophobicContact CD2-CD2 3.98Å; L388-L495 HydrophobicContact CD2-CG 4.15Å; E391-L495 HydrophobicContact CG-CD1 3.85Å; E391-L495 VanDerWaalsContact OE1-CD1 3.32Å; E391-L495 WeakPolarHBondContact OE1-CD1 3.5Å; H447-L495 HydrophobicContact CB-CD2 3.65Å; L448-L495 HydrophobicContact CD2-CD2 4.29Å; L448-L495 HydrophobicContact CD2-CG 4.46Å; L495-N497 VanDerWaalsContact C-N 3.3Å; L495-N497 PolarHBondContact O-N 2.8Å; L495-N497 VanDerWaalsContact O-N 3.17Å; L495-H498 PolarHBondContact O-N 3.28Å; L495-L499 PolarHBondContact O-N 2.94Å
496P77Confident78.2Confident58 Ų5852 Ų5238%0.37727%0.265SS..Hα-helixtrans-56.1-40.9-170.1-25.233.8000113.8M449 H498 L499 A500M449-P496 HydrophobicContact CG-CG 4.29Å; M449-P496 HydrophobicContact SD-CB 4.3Å; M449-P496 HydrophobicContact SD-CG 3.79Å; P496-H498 VanDerWaalsContact C-N 3.32Å; P496-H498 PolarHBondContact O-N 2.78Å; P496-L499 PolarHBondContact O-N 3.15Å; P496-A500 WeakPolarHBondContact O-CB 3.42Å; P496-A500 PolarHBondContact O-N 3.28Å
497N78.6Confident78.4Confident126 Ų12652.3 Ų52.367%0.67427%0.266SS*.Hα-helixtrans-66.1-31.6179.8-65.4-21.4000113.1L495 K501L495-N497 VanDerWaalsContact C-N 3.3Å; L495-N497 PolarHBondContact O-N 2.8Å; L495-N497 VanDerWaalsContact O-N 3.17Å; N497-K501 WeakPolarHBondContact O-CD 3.39Å; N497-K501 WeakPolarHBondContact O-CG 3.43Å
498H82.6Confident78.8Confident47 Ų4751.1 Ų51.122%0.21826%0.259CS..Hα-helixtrans-82.5-39.3176.6-64-58.6000111.3E391 N480 V481 L495 P496 K501 A502E391-H498 IonicContact OE1-NE2 3.36Å; N480-H498 HydrophobicContact CB-CB 4.47Å; N480-H498 PolarHBondContact ND2-NE2 3.05Å; V481-H498 HydrophobicContact CG2-CB 3.64Å; L495-H498 PolarHBondContact O-N 3.28Å; P496-H498 VanDerWaalsContact C-N 3.32Å; P496-H498 PolarHBondContact O-N 2.78Å; H498-K501 PolarHBondContact O-N 3.21Å; H498-A502 WeakPolarHBondContact O-CB 3.48Å; H498-A502 PolarHBondContact O-N 3.1Å
499L82.8Confident78.8Confident3 Ų347.2 Ų47.22%0.01624%0.243CC..Hα-helixtrans-60-47.4174.4-72.4174.4000112.2M449 E451 V481 L492 G494 L495 P496 K501 A502 K503M449-L499 HydrophobicContact CB-CD1 3.62Å; E451-L499 HydrophobicContact CG-CD1 4.39Å; V481-L499 HydrophobicContact CG1-CD2 3.97Å; L492-L499 HydrophobicContact CB-CD2 3.46Å; L492-L499 VanDerWaalsContact CB-CD2 3.46Å; G494-L499 VanDerWaalsContact O-CD1 3.22Å; G494-L499 WeakPolarHBondContact O-CD1 3.26Å; L495-L499 PolarHBondContact O-N 2.94Å; P496-L499 PolarHBondContact O-N 3.15Å; L499-K501 VanDerWaalsContact C-N 3.29Å; L499-K501 PolarHBondContact O-N 3.5Å; L499-A502 PolarHBondContact O-N 2.94Å; L499-K503 WeakPolarHBondContact O-CB 3.45Å; L499-K503 PolarHBondContact O-N 3.43Å
500A80.4Confident78.1Confident59 Ų5945.7 Ų45.749%0.48824%0.24SC..Hα-helixtrans-56.8-43177.900000112.3P496 Q504P496-A500 WeakPolarHBondContact O-CB 3.42Å; P496-A500 PolarHBondContact O-N 3.28Å; A500-Q504 WeakPolarHBondContact O-CB 3.36Å; A500-Q504 PolarHBondContact O-N 3.16Å
501K84.4Confident76.6Confident132 Ų13248 Ų4857%0.57426%0.264SS*.Hα-helixtrans-65.9-46.1176.1-68.5173-177.8178.90111.8N497 H498 L499 Q504 Y505N497-K501 WeakPolarHBondContact O-CD 3.39Å; N497-K501 WeakPolarHBondContact O-CG 3.43Å; H498-K501 PolarHBondContact O-N 3.21Å; L499-K501 VanDerWaalsContact C-N 3.29Å; L499-K501 PolarHBondContact O-N 3.5Å; K501-Q504 PolarHBondContact O-N 2.98Å; K501-Y505 PolarHBondContact O-N 2.95Å
502A84.9Confident74.9Confident0 Ų055 Ų550%029%0.293CS..Hα-helixtrans-65-44179.200000112.7F474 H478 V481 L492 H498 L499 Q504 Y505 V506F474-A502 HydrophobicContact CE2-CB 4.04Å; F474-A502 HydrophobicContact CZ-CB 3.77Å; H478-A502 HydrophobicContact CB-CB 4.37Å; V481-A502 HydrophobicContact CB-CB 4.35Å; V481-A502 HydrophobicContact CG1-CB 4.12Å; V481-A502 HydrophobicContact CG2-CB 3.98Å; L492-A502 HydrophobicContact CD1-CB 4.16Å; H498-A502 WeakPolarHBondContact O-CB 3.48Å; H498-A502 PolarHBondContact O-N 3.1Å; L499-A502 PolarHBondContact O-N 2.94Å; A502-Q504 VanDerWaalsContact C-N 3.33Å; A502-Q504 PolarHBondContact O-N 3.15Å; A502-Y505 WeakPolarHBondContact O-CB 3.3Å; A502-Y505 PolarHBondContact O-N 2.6Å; A502-Y505 VanDerWaalsContact O-N 3.14Å; A502-V506 WeakPolarHBondContact O-CG2 3.41Å; A502-V506 PolarHBondContact O-N 3.07Å
503K82.9Confident72.9Confident70 Ų7060.4 Ų60.430%0.30433%0.331SS..Hα-helixtrans-59.1-43.2173.1177.1169179.8-177.10111.5E451 L453 L492 L499 Y505 V506 L507E451-K503 WeakPolarHBondContact OE1-CD 3.28Å; E451-K503 IonicContact OE1-NZ 2.7Å; E451-K503 PolarHBondContact OE1-NZ 3.22Å; E451-K503 VanDerWaalsContact OE2-CD 3.25Å; E451-K503 WeakPolarHBondContact OE2-CD 3.38Å; E451-K503 IonicContact OE2-NZ 2.74Å; L453-K503 HydrophobicContact CD1-CG 4.3Å; L453-K503 HydrophobicContact CD2-CD 3.87Å; L453-K503 HydrophobicContact CD2-CG 3.86Å; L492-K503 HydrophobicContact CD1-CB 4.25Å; L499-K503 WeakPolarHBondContact O-CB 3.45Å; L499-K503 PolarHBondContact O-N 3.43Å; K503-Y505 VanDerWaalsContact C-N 3.32Å; K503-Y505 PolarHBondContact O-N 3.36Å; K503-V506 PolarHBondContact O-N 3.25Å; K503-L507 HydrophobicContact CG-CD1 3.79Å; K503-L507 HydrophobicContact CG-CG 4.43Å; K503-L507 WeakPolarHBondContact O-CB 3.29Å; K503-L507 VanDerWaalsContact O-CG 3.25Å; K503-L507 WeakPolarHBondContact O-CG 3.44Å; K503-L507 PolarHBondContact O-N 2.75Å
504Q81.7Confident70.7Confident109 Ų10964.5 Ų64.551%0.50936%0.361SS..Hα-helixtrans-63.4-37.1174.9-162.1-171.246.100112.2A500 K501 A502 K508A500-Q504 WeakPolarHBondContact O-CB 3.36Å; A500-Q504 PolarHBondContact O-N 3.16Å; K501-Q504 PolarHBondContact O-N 2.98Å; A502-Q504 VanDerWaalsContact C-N 3.33Å; A502-Q504 PolarHBondContact O-N 3.15Å; Q504-K508 HydrophobicContact CG-CD 4.05Å; Q504-K508 VanDerWaalsContact O-CB 3.3Å; Q504-K508 WeakPolarHBondContact O-CB 3.34Å; Q504-K508 VanDerWaalsContact O-CG 3.24Å; Q504-K508 WeakPolarHBondContact O-CG 3.45Å; Q504-K508 PolarHBondContact O-N 3.37Å
505Y82.4Confident68.3Low31 Ų3172.4 Ų72.412%0.12240%0.403CS..Hα-helixtrans-66.7-41.8175173.2-94.6000112.7F470 D473 F474 H478 K501 A502 K503 K508 G510F470-Y505 HydrophobicContact CD2-CE1 4.27Å; F470-Y505 HydrophobicContact CE2-CD1 4.27Å; F470-Y505 AromaticContact CE2-CE1 3.49Å; F470-Y505 HydrophobicContact CE2-CE1 3.49Å; F470-Y505 VanDerWaalsContact CE2-CE1 3.49Å; F470-Y505 HydrophobicContact CZ-CE1 4.05Å; D473-Y505 PolarHBondContact OD2-OH 3.17Å; F474-Y505 HydrophobicContact CB-CE1 4.31Å; F474-Y505 AromaticContact CD2-CD1 3.69Å; F474-Y505 HydrophobicContact CD2-CD1 3.69Å; F474-Y505 AromaticContact CD2-CE1 3.81Å; F474-Y505 HydrophobicContact CD2-CE1 3.81Å; F474-Y505 HydrophobicContact CE2-CD1 4.19Å; H478-Y505 WeakPolarHBondContact NE2-CB 2.93Å; H478-Y505 AromaticContact NE2-CD1 3.88Å; H478-Y505 AromaticContact NE2-CG 3.55Å; K501-Y505 PolarHBondContact O-N 2.95Å; A502-Y505 WeakPolarHBondContact O-CB 3.3Å; A502-Y505 PolarHBondContact O-N 2.6Å; A502-Y505 VanDerWaalsContact O-N 3.14Å; K503-Y505 VanDerWaalsContact C-N 3.32Å; K503-Y505 PolarHBondContact O-N 3.36Å; Y505-K508 PolarHBondContact O-N 3.19Å; Y505-G510 PolarHBondContact O-N 3.41Å
506V81.1Confident65.9Low1 Ų176.4 Ų76.41%0.00644%0.438CS..Hα-helixtrans-63.2-47.5174.2176.70000111.2L453 L465 F470 F474 M490 A502 K503 K508 G509L453-V506 HydrophobicContact CD1-CB 4.06Å; L453-V506 HydrophobicContact CD1-CG1 3.88Å; L453-V506 HydrophobicContact CD1-CG2 4.32Å; L465-V506 HydrophobicContact CD2-CG1 4.46Å; F470-V506 HydrophobicContact CZ-CG2 4.26Å; F474-V506 HydrophobicContact CD2-CG2 4.31Å; F474-V506 HydrophobicContact CE2-CG2 3.77Å; M490-V506 HydrophobicContact CE-CG2 3.96Å; M490-V506 HydrophobicContact SD-CB 4.46Å; M490-V506 HydrophobicContact SD-CG1 3.92Å; M490-V506 HydrophobicContact SD-CG2 3.59Å; M490-V506 VanDerWaalsContact SD-CG2 3.59Å; A502-V506 WeakPolarHBondContact O-CG2 3.41Å; A502-V506 PolarHBondContact O-N 3.07Å; K503-V506 PolarHBondContact O-N 3.25Å; V506-K508 VanDerWaalsContact C-N 3.26Å; V506-K508 PolarHBondContact O-N 3.26Å; V506-G509 PolarHBondContact O-N 3.15Å
507L74.1Confident63.7Low93 Ų9377.1 Ų77.149%0.48746%0.456SS..Hα-helixtrans-71.9-16-178.3-68172.6000114L458 K503 G509L458-L507 HydrophobicContact CD1-CD2 4.08Å; K503-L507 HydrophobicContact CG-CD1 3.79Å; K503-L507 HydrophobicContact CG-CG 4.43Å; K503-L507 WeakPolarHBondContact O-CB 3.29Å; K503-L507 VanDerWaalsContact O-CG 3.25Å; K503-L507 WeakPolarHBondContact O-CG 3.44Å; K503-L507 PolarHBondContact O-N 2.75Å; L507-G509 VanDerWaalsContact C-N 3.34Å
508K70Confident61.3Low136 Ų13680.6 Ų80.659%0.59147%0.468SS*.THydrogen-bonded Turntrans-9314172.9-74.2177.7176.3176.70113.2Q504 Y505 V506Q504-K508 HydrophobicContact CG-CD 4.05Å; Q504-K508 VanDerWaalsContact O-CB 3.3Å; Q504-K508 WeakPolarHBondContact O-CB 3.34Å; Q504-K508 VanDerWaalsContact O-CG 3.24Å; Q504-K508 WeakPolarHBondContact O-CG 3.45Å; Q504-K508 PolarHBondContact O-N 3.37Å; Y505-K508 PolarHBondContact O-N 3.19Å; V506-K508 VanDerWaalsContact C-N 3.26Å; V506-K508 PolarHBondContact O-N 3.26Å
509G62.2Low58.8Low9 Ų988 Ų889%0.09350%0.499CS..THydrogen-bonded Turntrans72.731170.900000115E461 V506 L507 G511E461-G509 WeakPolarHBondContact OE2-CA 3.28Å; E461-G509 PolarHBondContact OE2-N 3.43Å; V506-G509 PolarHBondContact O-N 3.15Å; L507-G509 VanDerWaalsContact C-N 3.34Å; G509-G511 PolarHBondContact O-N 3.04Å
510G58.9Low56.1Low19 Ų1995.4 Ų95.420%0.19654%0.538CS..SBendtrans57.156.7164.900000115.2Y505Y505-G510 PolarHBondContact O-N 3.41Å
511G46.1Very low53.4Low49 Ų49101 Ų10151%0.50555%0.551SS.*  trans66.273.2166.300000115.4G509 S513G509-G511 PolarHBondContact O-N 3.04Å; G511-S513 PolarHBondContact O-N 2.92Å
512K42.6Very low50.8Low163 Ų163102.7 Ų102.771%0.70956%0.562SS**  trans-57122.2160.6-77.5175.7-177158.20109.4E461 S514E461-K512 IonicContact OE1-NZ 3.33Å; K512-S514 PolarHBondContact O-N 2.82Å
513S39.8Very low47.9Very low114 Ų114109.8 Ų109.880%0.79760%0.599SS**  trans-71.786.8175.554.40000110.8G511 L515G511-S513 PolarHBondContact O-N 2.92Å; S513-L515 VanDerWaalsContact C-N 3.33Å; S513-L515 PolarHBondContact O-N 3.48Å; S513-L515 VanDerWaalsContact O-N 3.12Å
514S30Very low45.3Very low121 Ų121114.3 Ų114.385%0.84662%0.621SS**  trans-78.484.2164.7-70.30000109.6K512K512-S514 PolarHBondContact O-N 2.82Å
515L32.5Very low42.8Very low166 Ų166118.1 Ų118.187%0.86964%0.639SS**  trans-103.381.9171.5-153.4163.3000108.6S513S513-L515 VanDerWaalsContact C-N 3.33Å; S513-L515 PolarHBondContact O-N 3.48Å; S513-L515 VanDerWaalsContact O-N 3.12Å
516A28.2Very low40.3Very low98 Ų98123 Ų12381%0.8167%0.672SS**  trans-151.570.2173.100000110.7
517G31.2Very low38.1Very low73 Ų73128.3 Ų128.375%0.75371%0.707SS**  trans55.999.9150.100000119.8
518E27.4Very low35.8Very low200 Ų200132 Ų13294%0.93572%0.724SS**  -143.3128.3124.8-120.5167-166.700109.9
519K30.3Very low33.6Very low201 Ų201132.1 Ų132.187%0.87473%0.731SS**  trans-85.4137.1176-81174.5170.2175.90108.3
520L26.1Very low32Very low160 Ų160138.7 Ų138.784%0.83876%0.762SS**  -173.999.3127.2-98.3153000110.7
521K25.4Very low30.4Very low175 Ų175144.8 Ų144.876%0.76179%0.79SS**  trans43.8110.3135.4-65.3-168.3168.3-154.10119.7
522E29.2Very low29.6Very low169 Ų169147.9 Ų147.979%0.7980%0.804SS**  trans-63.6151.9134.4-66.8168.4134.700109.8
523D24.7Very low28.9Very low148 Ų148146.3 Ų146.379%0.79180%0.804SS**  trans-155149138.5-90-41.1000108
524H28.1Very low28.5Very low165 Ų165147.2 Ų147.276%0.76480%0.8SS**  trans-95.7-178.3-173-78.2-92.9000112.9
525E27.9Very low28.7Very low190 Ų190145 Ų14589%0.88878%0.784SS**  trans87.4106.7155.4-50.2-166.2148.100119.6
526T31Very low28.5Very low132 Ų132146.6 Ų146.681%0.8178%0.784SS**  trans-67.2151.8144.745.60000110.3
527P34.9Very low28.4Very low113 Ų113145.9 Ų145.973%0.73478%0.778SS**  -149.6-176.354.940-18.6000117
528M24.5Very low28Very low171 Ų171146.4 Ų146.484%0.84278%0.775SS**  trans21.6140.7155.2-60.1178.5-176.600119.2
529D25.4Very low27.8Very low139 Ų139142.2 Ų142.274%0.74377%0.768SS**  cis-176.6-179.942.5-142.2-17.9000111.2
530I27.6Very low28Very low147 Ų147140.3 Ų140.375%0.75477%0.767SS**  trans69.6102166-58.9164.4000115
531D24.9Very low28.2Very low147 Ų147138.5 Ų138.579%0.78676%0.764SS**  84.9108.463.9-164.627.5000114.2
532S29.8Very low28.5Very low114 Ų114137.5 Ų137.580%0.79777%0.766SS**  trans-168.1125.2144.6-176.70000110
533D29.1Very low28.4Very low130 Ų130139.7 Ų139.770%0.69577%0.773SS**  trans-40.4160156.3-83.8-47.7000113.4
534D29.4Very low28.4Very low133 Ų133135.6 Ų135.671%0.71177%0.766SS**  cis-158.914940.2-148.2-21.9000116
535S35Very low28.4Very low75 Ų75133.6 Ų133.652%0.52477%0.771SS.*  trans55.2116.3143.5-81.20000123.3
536K29.1Very low28.2Very low198 Ų198130.8 Ų130.886%0.86177%0.766SS**  57.4144.9111-74176.8177.9161.40120
537A24.8Very low28.4Very low84 Ų84129.3 Ų129.369%0.69476%0.761SS**  cis-168.2168.7-4.500000111.8
538A24Very low28.2Very low83 Ų83129.7 Ų129.769%0.68677%0.767SS**  trans74.8111.1138.800000120.9
539S23.2Very low29Very low113 Ų113131.3 Ų131.379%0.7977%0.772SS**  77.9106.9118.9-54.30000120.5
540L33.2Very low29.3Very low161 Ų161129.2 Ų129.284%0.84378%0.775SS**  trans-55.1151.4141.6-65.5162.7000110.4
541P30.3Very low30.1Very low121 Ų121128 Ų12879%0.78678%0.779SS**  -144.6163.6112.234-17.9000116.2
542L31.8Very low30.5Very low154 Ų154130 Ų13081%0.80678%0.784SS**  trans-78.6152.4-177.3-70.569000114.7
543K28.3Very low30.9Very low215 Ų215132.3 Ų132.394%0.93579%0.786SS**  trans149.1141.7133.2-84.3169.9177.8-179.10110.1
544G24.6Very low31.2Very low62 Ų62133 Ų13364%0.63979%0.79SS**  cis161.8155.3-7.300000111.7
545S26.9Very low31.8Very low124 Ų124135.4 Ų135.487%0.86779%0.794SS**  trans67.5150.8173.9800000116.2
546V25.4Very low32.1Very low130 Ų130140.1 Ų140.179%0.78881%0.805SS**  cis-137.316410.4174.60000110.1
547S34.4Very low33.1Very low101 Ų101139.9 Ų139.971%0.70681%0.807SS**  trans-36.2146.3-177.460.70000120.7
548S30.3Very low34.9Very low122 Ų122142.1 Ų142.185%0.85380%0.803SS**  -158.8151117.3-77.20000110.4A550S548-A550 PolarHBondContact O-N 3.4Å
549E40.6Very low37.2Very low204 Ų204139.8 Ų139.895%0.95379%0.787SS**  trans-71.6124.1-178.9-66.7169.5115.500112
550A32Very low40.4Very low96 Ų96140 Ų14079%0.79378%0.778SS**  trans-150.7129.7152.300000108.6S548 E552S548-A550 PolarHBondContact O-N 3.4Å; A550-E552 PolarHBondContact O-N 3.09Å
551S44.8Very low43.2Very low120 Ų120132.3 Ų132.384%0.83974%0.738SS**  trans-57.7121.7-179.150.60000113.5
552E33.7Very low46.1Very low191 Ų191130.6 Ų130.689%0.89373%0.725SS**  trans-129.3149.5149.5-77-149138.700111.4A550 D554A550-E552 PolarHBondContact O-N 3.09Å; E552-D554 PolarHBondContact O-N 3.26Å
553L38.7Very low48.9Very low162 Ų162126.1 Ų126.185%0.84870%0.701SS**  trans-83.786.7-161.6-165.180.9000110.8K555L553-K555 PolarHBondContact O-N 2.78Å
554D35.1Very low52Low144 Ų144118.1 Ų118.177%0.7767%0.672SS**  trans-61.8102.9174.3-157.220.3000109.5E552 K556E552-D554 PolarHBondContact O-N 3.26Å; D554-K556 PolarHBondContact O-N 3.34Å
555K41.2Very low55.1Low184 Ų184122.7 Ų122.780%0.868%0.678SS**  trans-69.482.8176.3-75.6-175.8179.5176.60108.7L553 E557L553-K555 PolarHBondContact O-N 2.78Å; K555-E557 PolarHBondContact O-N 3.17Å; K555-E557 VanDerWaalsContact O-N 3.15Å
556K42.6Very low58.1Low174 Ų174121.8 Ų121.876%0.75766%0.664SS**  trans-54.3121.3162.2-73.4176.9-179.9167.90107.8D554 E558D554-K556 PolarHBondContact O-N 3.34Å; K556-E558 VanDerWaalsContact C-N 3.32Å; K556-E558 PolarHBondContact O-N 2.69Å
557E49.6Very low61.3Low192 Ų192118.6 Ų118.690%0.89765%0.645SS**  trans-59.1104156.9-67.6-173.1154.800106.7K555 G559K555-E557 PolarHBondContact O-N 3.17Å; K555-E557 VanDerWaalsContact O-N 3.15Å; E557-G559 VanDerWaalsContact C-N 3.33Å; E557-G559 PolarHBondContact O-N 2.77Å
558E61.8Low64Low131 Ų131115.1 Ų115.161%0.61262%0.618SS**  trans-67.195.7175.6-77-169.1175.100108.4K556 I560 T567K556-E558 VanDerWaalsContact C-N 3.32Å; K556-E558 PolarHBondContact O-N 2.69Å; E558-I560 PolarHBondContact O-N 2.73Å; E558-T567 HydrophobicContact CB-CG2 3.91Å; E558-T567 HydrophobicContact CG-CG2 4.13Å; E558-T567 VanDerWaalsContact OE2-CG2 3.22Å; E558-T567 WeakPolarHBondContact OE2-CG2 3.25Å; E558-T567 PolarHBondContact OE2-OG1 2.94Å
559G73.6Confident66.7Low34 Ų34112.8 Ų112.835%0.35160%0.602SS.*  trans-53.4131.8179.400000110.9E557 I568E557-G559 VanDerWaalsContact C-N 3.33Å; E557-G559 PolarHBondContact O-N 2.77Å; G559-I568 WeakPolarHBondContact O-CB 3.45Å; G559-I568 WeakPolarHBondContact O-CD1 3.34Å; G559-I568 WeakPolarHBondContact O-CG1 3.45Å; G559-I568 PolarHBondContact O-N 3.17Å
560I89.4Confident69Low118 Ų118109.2 Ų109.261%0.60559%0.589SS**BIsolated β-bridgetrans-85.5132-178.6-58.8173.7000109.4E558 V562 M565E558-I560 PolarHBondContact O-N 2.73Å; I560-V562 PolarHBondContact O-N 3.17Å; I560-M565 WeakPolarHBondContact CG2-O 3.21Å
561C91.7Very high71.9Confident0 Ų0110.4 Ų110.40%058%0.577CS.*  trans-82.1111.3177.1-175.90000110.6I563 C564 M565 D566 I568 C582C561-I563 PolarHBondContact O-N 2.78Å; C561-C564 PolarHBondContact O-N 3.17Å; C561-M565 VanDerWaalsContact O-CA 3.28Å; C561-M565 WeakPolarHBondContact O-CA 3.46Å; C561-M565 PolarHBondContact O-N 3.38Å; C561-D566 PolarHBondContact N-O 3.39Å; C561-I568 HydrophobicContact CB-CG1 3.7Å; C561-C582 WeakPolarHBondContact CB-SG 3.05Å; C561-C582 PolarHBondContact SG-N 2.99Å; C561-C582 VanDerWaalsContact SG-SG 3.68Å
562V91.5Very high74.1Confident84 Ų84109.2 Ų109.251%0.50956%0.556SS.*THydrogen-bonded Turntrans-61.9-3.4179.7-56.80000115.8I560 F581I560-V562 PolarHBondContact O-N 3.17Å; V562-F581 HydrophobicContact CG2-CD1 4.11Å; V562-F581 HydrophobicContact CG2-CE1 3.58Å
563I91.3Very high76.9Confident61 Ų61103.3 Ų103.331%0.31353%0.533SS..THydrogen-bonded Turntrans-94.8-40.2179.2-55.9168.2000111.9C561 F581 C585 I586 A589 P597C561-I563 PolarHBondContact O-N 2.78Å; I563-F581 HydrophobicContact CD1-CB 4.26Å; I563-F581 HydrophobicContact CD1-CD1 3.46Å; I563-F581 VanDerWaalsContact CD1-CD1 3.46Å; I563-F581 HydrophobicContact CD1-CE1 4.1Å; I563-F581 HydrophobicContact CD1-CG 4.08Å; I563-F581 HydrophobicContact CG1-CD1 3.82Å; I563-F581 HydrophobicContact CG1-CE1 4.23Å; I563-C585 HydrophobicContact CB-CB 3.84Å; I563-C585 HydrophobicContact CD1-CB 3.83Å; I563-C585 HydrophobicContact CG1-CB 4.45Å; I563-C585 HydrophobicContact CG2-CB 3.76Å; I563-I586 HydrophobicContact CD1-CB 4.22Å; I563-I586 HydrophobicContact CD1-CD1 4.1Å; I563-A589 HydrophobicContact CD1-CB 4.2Å; I563-P597 HydrophobicContact CD1-CG 4Å; I563-P597 HydrophobicContact CG1-CB 4.35Å; I563-P597 HydrophobicContact CG1-CG 4.17Å
564C93.1Very high79.5Confident46 Ų4696 Ų9631%0.31150%0.495SS..THydrogen-bonded Turntrans-108.1-12176.963.50000113.6C561 D566C561-C564 PolarHBondContact O-N 3.17Å; C564-D566 PolarHBondContact O-N 3.22Å
565M88.9Confident82Confident158 Ų15893.3 Ų93.378%0.77849%0.485SS*.SBendtrans68.99.3-176.2-51.2-175.2-179.200115.5I560 C561I560-M565 WeakPolarHBondContact CG2-O 3.21Å; C561-M565 VanDerWaalsContact O-CA 3.28Å; C561-M565 WeakPolarHBondContact O-CA 3.46Å; C561-M565 PolarHBondContact O-N 3.38Å
566D90.6Very high84.1Confident105 Ų10591.1 Ų91.156%0.56148%0.476SS*.SBendtrans-99.1171.2174.6-52.8-64000113.1C561 C564 I568C561-D566 PolarHBondContact N-O 3.39Å; C564-D566 PolarHBondContact O-N 3.22Å; D566-I568 PolarHBondContact O-N 3.4Å
567T91.8Very high86.4Confident64 Ų6484.1 Ų84.139%0.39345%0.448SS..BIsolated β-bridgetrans-46.8135.7164.3-71.80000111.5E558 S569E558-T567 HydrophobicContact CB-CG2 3.91Å; E558-T567 HydrophobicContact CG-CG2 4.13Å; E558-T567 VanDerWaalsContact OE2-CG2 3.22Å; E558-T567 WeakPolarHBondContact OE2-CG2 3.25Å; E558-T567 PolarHBondContact OE2-OG1 2.94Å; T567-S569 PolarHBondContact O-N 2.94Å
568I91.6Very high88.5Confident27 Ų2781.7 Ų81.714%0.13844%0.435CS..  trans-62.1105.2177.5-71.8162.7000111.5G559 C561 D566 K571 E580G559-I568 WeakPolarHBondContact O-CB 3.45Å; G559-I568 WeakPolarHBondContact O-CD1 3.34Å; G559-I568 WeakPolarHBondContact O-CG1 3.45Å; G559-I568 PolarHBondContact O-N 3.17Å; C561-I568 HydrophobicContact CB-CG1 3.7Å; D566-I568 PolarHBondContact O-N 3.4Å; I568-K571 VanDerWaalsContact CG2-CA 3.49Å; I568-K571 HydrophobicContact CG2-CB 3.62Å; I568-K571 HydrophobicContact CG2-CG 4.02Å; I568-E580 HydrophobicContact CD1-CB 3.85Å
569S87.9Confident90Very high74 Ų7478.4 Ų78.452%0.51742%0.419SS..SBendtrans-93.5135.2170.757.30000111.2T567 C582 G583T567-S569 PolarHBondContact O-N 2.94Å; S569-C582 PolarHBondContact N-SG 3.24Å; S569-C582 WeakPolarHBondContact O-CA 3.48Å; S569-C582 VanDerWaalsContact O-CB 3.31Å; S569-C582 WeakPolarHBondContact O-CB 3.22Å; S569-G583 PolarHBondContact O-N 2.87Å
570N87.8Confident91Very high129 Ų12980.3 Ų80.369%0.6942%0.419SS*.SBendtrans52.461-175.3-172.22.9000112K572 G583N570-K572 PolarHBondContact O-N 3.17Å; N570-G583 VanDerWaalsContact O-CA 3.29Å; N570-G583 WeakPolarHBondContact O-CA 3.11Å; N570-G583 PolarHBondContact O-N 2.98Å
571K92.8Very high91.3Very high121 Ų12174.7 Ų74.753%0.52639%0.39SS..EExtended strand (participates in β ladder)trans-50.5121.1-172.5175.6166.4161156.90113.3I568 V573 E580I568-K571 VanDerWaalsContact CG2-CA 3.49Å; I568-K571 HydrophobicContact CG2-CB 3.62Å; I568-K571 HydrophobicContact CG2-CG 4.02Å; K571-V573 HydrophobicContact CG-CG2 4.28Å; K571-E580 WeakPolarHBondContact CE-OE1 3.46Å; K571-E580 WeakPolarHBondContact CE-OE2 3.3Å; K571-E580 IonicContact NZ-OE1 3.54Å; K571-E580 PolarHBondContact NZ-OE1 2.77Å; K571-E580 IonicContact NZ-OE2 3.94Å; K571-E580 PolarHBondContact NZ-OE2 3.03Å
572K91.4Very high91.5Very high95 Ų9574.7 Ų74.741%0.41339%0.39SS..EExtended strand (participates in β ladder)trans-121.8119.7174.5-175.7161.3171-179.90110.1N570 F581 I586 S587N570-K572 PolarHBondContact O-N 3.17Å; K572-F581 PolarHBondContact N-O 3.3Å; K572-F581 PolarHBondContact O-N 3.08Å; K572-F581 VanDerWaalsContact O-N 3.08Å; K572-I586 HydrophobicContact CB-CG2 3.97Å; K572-I586 HydrophobicContact CD-CG2 3.64Å; K572-I586 HydrophobicContact CG-CG2 3.89Å; K572-S587 PolarHBondContact NZ-OG 3.34Å
573V93.3Very high91.5Very high66 Ų6671 Ų7140%0.437%0.369SS..EExtended strand (participates in β ladder)trans-99.3127.7-178.7-1770000109.3K571 K578 E580K571-V573 HydrophobicContact CG-CG2 4.28Å; V573-K578 WeakPolarHBondContact CG1-O 3.47Å; V573-E580 HydrophobicContact CG2-CG 4.12Å
574L92Very high91.7Very high9 Ų971.9 Ų71.95%0.04738%0.379CS..  trans-79.8127.2-179.9-66-175.4000111.7K576 K578 H579 F581 I586 M590 C596 Y603L574-K576 PolarHBondContact O-N 2.91Å; L574-K578 VanDerWaalsContact O-CA 3.28Å; L574-K578 WeakPolarHBondContact O-CA 3.31Å; L574-K578 PolarHBondContact O-N 3.45Å; L574-H579 PolarHBondContact N-O 3.46Å; L574-F581 HydrophobicContact CD1-CD2 4.2Å; L574-F581 HydrophobicContact CD1-CE2 3.54Å; L574-F581 HydrophobicContact CD1-CZ 4.37Å; L574-F581 HydrophobicContact CG-CD2 4.12Å; L574-F581 HydrophobicContact CG-CE2 3.87Å; L574-I586 HydrophobicContact CD1-CD1 4.13Å; L574-I586 HydrophobicContact CD1-CG1 4.34Å; L574-I586 HydrophobicContact CD2-CD1 4.47Å; L574-I586 HydrophobicContact CD2-CG1 3.85Å; L574-I586 HydrophobicContact CG-CG1 4.33Å; L574-M590 HydrophobicContact CD1-CE 3.68Å; L574-M590 HydrophobicContact CD2-CE 3.93Å; L574-M590 HydrophobicContact CG-CE 4.5Å; L574-C596 HydrophobicContact CD1-CB 3.74Å; L574-Y603 HydrophobicContact CB-CE1 4.08Å; L574-Y603 HydrophobicContact CB-CE2 4.16Å; L574-Y603 VanDerWaalsContact CB-OH 3.32Å; L574-Y603 WeakPolarHBondContact CB-OH 3.44Å; L574-Y603 HydrophobicContact CD1-CD2 4.31Å; L574-Y603 HydrophobicContact CD1-CE2 3.83Å
575P88.7Confident91.8Very high88 Ų8871.1 Ų71.157%0.57137%0.374SS*.THydrogen-bonded Turntrans-68.7-29.9-163.120.2-31.5000115.9K578 Y603P575-K578 WeakPolarHBondContact O-CE 3.4Å; P575-K578 PolarHBondContact O-NZ 3.34Å; P575-Y603 HydrophobicContact CG-CD1 4.5Å; P575-Y603 HydrophobicContact CG-CE1 3.93Å
576K85.4Confident92Very high138 Ų13863.6 Ų63.660%0.634%0.337SS*.THydrogen-bonded Turntrans-83-35.2-177.5-54.8177.2177.3-176.30113.2L574 T601 S602 Y603L574-K576 PolarHBondContact O-N 2.91Å; K576-T601 HydrophobicContact CB-CG2 4.03Å; K576-T601 HydrophobicContact CD-CG2 4.03Å; K576-S602 WeakPolarHBondContact CD-O 3.35Å; K576-S602 WeakPolarHBondContact CE-O 3.46Å; K576-S602 PolarHBondContact NZ-O 3.46Å; K576-Y603 WeakPolarHBondContact CA-OH 3.29Å; K576-Y603 HydrophobicContact CB-CE1 3.91Å; K576-Y603 VanDerWaalsContact CB-OH 3.3Å; K576-Y603 WeakPolarHBondContact CB-OH 3.21Å; K576-Y603 HydrophobicContact CD-CD1 4.34Å; K576-Y603 HydrophobicContact CD-CE1 3.98Å; K576-Y603 HydrophobicContact CG-CD1 4.4Å; K576-Y603 HydrophobicContact CG-CE1 3.66Å; K576-Y603 PolarHBondContact N-OH 2.64Å
577C91.3Very high92Very high27 Ų2761.1 Ų61.118%0.18233%0.328CS..THydrogen-bonded Turntrans-120.4-1.2-170.469.80000114.4H579 C596 C599 T601 Y603C577-H579 PolarHBondContact O-N 3.06Å; C577-H579 PolarHBondContact SG-ND1 3.35Å; C577-C596 VanDerWaalsContact SG-SG 3.62Å; C577-C599 VanDerWaalsContact CB-SG 3.54Å; C577-C599 VanDerWaalsContact SG-SG 3.65Å; C577-T601 HydrophobicContact CB-CG2 4.42Å; C577-Y603 PolarHBondContact N-OH 3.48Å; C577-Y603 PolarHBondContact SG-OH 3.47Å
578K91.9Very high92Very high140 Ų14064.2 Ų64.261%0.60934%0.336SS*.  trans58.60.5176.5-49.3-51.9-173.3-165.80117.4V573 L574 P575 E580V573-K578 WeakPolarHBondContact CG1-O 3.47Å; L574-K578 VanDerWaalsContact O-CA 3.28Å; L574-K578 WeakPolarHBondContact O-CA 3.31Å; L574-K578 PolarHBondContact O-N 3.45Å; P575-K578 WeakPolarHBondContact O-CE 3.4Å; P575-K578 PolarHBondContact O-NZ 3.34Å; K578-E580 WeakPolarHBondContact O-CG 3.42Å
579H93.7Very high91.9Very high62 Ų6264 Ų6429%0.28734%0.338SS..  trans-58.1144.9170.5-66.7116.8000112.8L574 C577 F581 C599L574-H579 PolarHBondContact N-O 3.46Å; C577-H579 PolarHBondContact O-N 3.06Å; C577-H579 PolarHBondContact SG-ND1 3.35Å; H579-F581 HydrophobicContact CB-CE2 3.61Å; H579-F581 HydrophobicContact CB-CZ 3.84Å; H579-C599 VanDerWaalsContact CE1-CB 3.49Å; H579-C599 WeakPolarHBondContact CE1-CB 2.95Å; H579-C599 PolarHBondContact CE1-SG 2.98Å; H579-C599 PolarHBondContact ND1-SG 3.4Å
580E94.1Very high91.9Very high74 Ų7462.4 Ų62.435%0.34632%0.323SS..EExtended strand (participates in β ladder)trans-118.5140.4-168.5-43.1-165.2143.400110.9I568 K571 V573 K578I568-E580 HydrophobicContact CD1-CB 3.85Å; K571-E580 WeakPolarHBondContact CE-OE1 3.46Å; K571-E580 WeakPolarHBondContact CE-OE2 3.3Å; K571-E580 IonicContact NZ-OE1 3.54Å; K571-E580 PolarHBondContact NZ-OE1 2.77Å; K571-E580 IonicContact NZ-OE2 3.94Å; K571-E580 PolarHBondContact NZ-OE2 3.03Å; V573-E580 HydrophobicContact CG2-CG 4.12Å; K578-E580 WeakPolarHBondContact O-CG 3.42Å
581F95.8Very high91.7Very high0 Ų060.5 Ų60.50%032%0.32CS..EExtended strand (participates in β ladder)trans-150164.1-175.4-54.3-89.9000110.9V562 I563 K572 L574 H579 G583 I586 P597 T598V562-F581 HydrophobicContact CG2-CD1 4.11Å; V562-F581 HydrophobicContact CG2-CE1 3.58Å; I563-F581 HydrophobicContact CD1-CB 4.26Å; I563-F581 HydrophobicContact CD1-CD1 3.46Å; I563-F581 VanDerWaalsContact CD1-CD1 3.46Å; I563-F581 HydrophobicContact CD1-CE1 4.1Å; I563-F581 HydrophobicContact CD1-CG 4.08Å; I563-F581 HydrophobicContact CG1-CD1 3.82Å; I563-F581 HydrophobicContact CG1-CE1 4.23Å; K572-F581 PolarHBondContact N-O 3.3Å; K572-F581 PolarHBondContact O-N 3.08Å; K572-F581 VanDerWaalsContact O-N 3.08Å; L574-F581 HydrophobicContact CD1-CD2 4.2Å; L574-F581 HydrophobicContact CD1-CE2 3.54Å; L574-F581 HydrophobicContact CD1-CZ 4.37Å; L574-F581 HydrophobicContact CG-CD2 4.12Å; L574-F581 HydrophobicContact CG-CE2 3.87Å; H579-F581 HydrophobicContact CB-CE2 3.61Å; H579-F581 HydrophobicContact CB-CZ 3.84Å; F581-G583 PolarHBondContact O-N 3.35Å; F581-I586 HydrophobicContact CB-CB 3.67Å; F581-I586 HydrophobicContact CB-CG1 4.3Å; F581-I586 HydrophobicContact CB-CG2 4.11Å; F581-I586 HydrophobicContact CD1-CD1 4.32Å; F581-I586 HydrophobicContact CD2-CB 4.17Å; F581-I586 HydrophobicContact CD2-CD1 3.82Å; F581-I586 HydrophobicContact CD2-CG1 3.83Å; F581-I586 HydrophobicContact CE1-CD1 4.44Å; F581-I586 HydrophobicContact CE2-CD1 3.99Å; F581-I586 HydrophobicContact CE2-CG1 4.4Å; F581-I586 HydrophobicContact CG-CB 3.97Å; F581-I586 HydrophobicContact CG-CD1 4.01Å; F581-I586 HydrophobicContact CG-CG1 4.09Å; F581-I586 HydrophobicContact CZ-CD1 4.3Å; F581-P597 HydrophobicContact CE1-CB 4.06Å; F581-P597 HydrophobicContact CE1-CG 4.1Å; F581-P597 HydrophobicContact CZ-CB 4.47Å; F581-P597 HydrophobicContact CZ-CG 4.4Å; F581-T598 VanDerWaalsContact CZ-OG1 3.26Å; F581-T598 WeakPolarHBondContact CZ-OG1 3.33Å
582C95.9Very high91Very high0 Ų063.2 Ų63.20%033%0.328CS..EExtended strand (participates in β ladder)trans-61.1131.7162.8-54.20000110C561 S569 C585 I586C561-C582 WeakPolarHBondContact CB-SG 3.05Å; C561-C582 PolarHBondContact SG-N 2.99Å; C561-C582 VanDerWaalsContact SG-SG 3.68Å; S569-C582 PolarHBondContact N-SG 3.24Å; S569-C582 WeakPolarHBondContact O-CA 3.48Å; S569-C582 VanDerWaalsContact O-CB 3.31Å; S569-C582 WeakPolarHBondContact O-CB 3.22Å; C582-C585 HydrophobicContact CB-CB 3.9Å; C582-C585 PolarHBondContact O-N 3.28Å; C582-C585 VanDerWaalsContact O-N 3.11Å; C582-I586 WeakPolarHBondContact O-CG2 3.45Å; C582-I586 PolarHBondContact O-N 3.32Å
583G93.3Very high90.4Very high7 Ų763 Ų637%0.07233%0.327CS..Hα-helixtrans-52.1-46.2-179.300000114.4S569 N570 F581 S587S569-G583 PolarHBondContact O-N 2.87Å; N570-G583 VanDerWaalsContact O-CA 3.29Å; N570-G583 WeakPolarHBondContact O-CA 3.11Å; N570-G583 PolarHBondContact O-N 2.98Å; F581-G583 PolarHBondContact O-N 3.35Å; G583-S587 VanDerWaalsContact O-CB 3.32Å; G583-S587 WeakPolarHBondContact O-CB 3.39Å; G583-S587 PolarHBondContact O-N 2.86Å; G583-S587 PolarHBondContact O-OG 3.34Å
584P94.5Very high90Very high80 Ų8061.1 Ų61.152%0.51932%0.316SS..Hα-helixtrans-62.8-48173.8-23.834.9000112.6I586 S587 K588P584-I586 PolarHBondContact O-N 3.3Å; P584-S587 PolarHBondContact O-N 2.91Å; P584-K588 PolarHBondContact O-N 3.3Å
585C94.8Very high89.7Confident30 Ų3062.4 Ų62.420%0.20332%0.323CS..Hα-helixtrans-59.5-49.3-177.1-63.20000112.3I563 C582 S587 K588 A589I563-C585 HydrophobicContact CB-CB 3.84Å; I563-C585 HydrophobicContact CD1-CB 3.83Å; I563-C585 HydrophobicContact CG1-CB 4.45Å; I563-C585 HydrophobicContact CG2-CB 3.76Å; C582-C585 HydrophobicContact CB-CB 3.9Å; C582-C585 PolarHBondContact O-N 3.28Å; C582-C585 VanDerWaalsContact O-N 3.11Å; C585-S587 VanDerWaalsContact C-N 3.33Å; C585-S587 PolarHBondContact O-N 3.19Å; C585-K588 PolarHBondContact O-N 3.35Å; C585-A589 WeakPolarHBondContact O-CB 3.46Å; C585-A589 PolarHBondContact O-N 3.05Å
586I94.1Very high89.8Confident0 Ų058.2 Ų58.20%030%0.295CS..Hα-helixtrans-71-30.5-179.8-166.856.4000112.5I563 K572 L574 F581 C582 P584 A589 M590 P597I563-I586 HydrophobicContact CD1-CB 4.22Å; I563-I586 HydrophobicContact CD1-CD1 4.1Å; K572-I586 HydrophobicContact CB-CG2 3.97Å; K572-I586 HydrophobicContact CD-CG2 3.64Å; K572-I586 HydrophobicContact CG-CG2 3.89Å; L574-I586 HydrophobicContact CD1-CD1 4.13Å; L574-I586 HydrophobicContact CD1-CG1 4.34Å; L574-I586 HydrophobicContact CD2-CD1 4.47Å; L574-I586 HydrophobicContact CD2-CG1 3.85Å; L574-I586 HydrophobicContact CG-CG1 4.33Å; F581-I586 HydrophobicContact CB-CB 3.67Å; F581-I586 HydrophobicContact CB-CG1 4.3Å; F581-I586 HydrophobicContact CB-CG2 4.11Å; F581-I586 HydrophobicContact CD1-CD1 4.32Å; F581-I586 HydrophobicContact CD2-CB 4.17Å; F581-I586 HydrophobicContact CD2-CD1 3.82Å; F581-I586 HydrophobicContact CD2-CG1 3.83Å; F581-I586 HydrophobicContact CE1-CD1 4.44Å; F581-I586 HydrophobicContact CE2-CD1 3.99Å; F581-I586 HydrophobicContact CE2-CG1 4.4Å; F581-I586 HydrophobicContact CG-CB 3.97Å; F581-I586 HydrophobicContact CG-CD1 4.01Å; F581-I586 HydrophobicContact CG-CG1 4.09Å; F581-I586 HydrophobicContact CZ-CD1 4.3Å; C582-I586 WeakPolarHBondContact O-CG2 3.45Å; C582-I586 PolarHBondContact O-N 3.32Å; P584-I586 PolarHBondContact O-N 3.3Å; I586-A589 HydrophobicContact CD1-CB 4.42Å; I586-A589 PolarHBondContact O-N 3.46Å; I586-M590 HydrophobicContact CD1-CE 3.83Å; I586-M590 HydrophobicContact CD1-CG 4.22Å; I586-M590 HydrophobicContact CG1-CE 4.25Å; I586-M590 HydrophobicContact CG1-CG 4.22Å; I586-M590 VanDerWaalsContact O-CB 3.26Å; I586-M590 WeakPolarHBondContact O-CB 3.23Å; I586-M590 WeakPolarHBondContact O-CG 3.25Å; I586-M590 PolarHBondContact O-N 2.91Å; I586-P597 VanDerWaalsContact CD1-CD 3.44Å; I586-P597 HydrophobicContact CD1-CG 3.9Å
587S90.6Very high90Very high52 Ų5254.5 Ų54.536%0.36429%0.285SS..Hα-helixtrans-69.9-38.9176.5-53.30000111K572 G583 P584 C585 S591K572-S587 PolarHBondContact NZ-OG 3.34Å; G583-S587 VanDerWaalsContact O-CB 3.32Å; G583-S587 WeakPolarHBondContact O-CB 3.39Å; G583-S587 PolarHBondContact O-N 2.86Å; G583-S587 PolarHBondContact O-OG 3.34Å; P584-S587 PolarHBondContact O-N 2.91Å; C585-S587 VanDerWaalsContact C-N 3.33Å; C585-S587 PolarHBondContact O-N 3.19Å; S587-S591 PolarHBondContact O-N 2.92Å; S587-S591 VanDerWaalsContact O-N 3.15Å
588K90.8Very high89.9Confident130 Ų13056.5 Ų56.557%0.56530%0.297SS*.Hα-helixtrans-68.2-40.4171.9-176.3172.7-179.2-178.80112.6P584 C585 S591 Y592P584-K588 PolarHBondContact O-N 3.3Å; C585-K588 PolarHBondContact O-N 3.35Å; K588-S591 PolarHBondContact O-N 3.15Å; K588-S591 PolarHBondContact O-OG 3.4Å; K588-Y592 HydrophobicContact CD-CE2 4.45Å; K588-Y592 WeakPolarHBondContact CE-OH 3.34Å; K588-Y592 HydrophobicContact CG-CD2 4.47Å; K588-Y592 HydrophobicContact CG-CE2 3.74Å; K588-Y592 WeakPolarHBondContact O-CD2 3.43Å
589A89.3Confident89.6Confident23 Ų2352.2 Ų52.219%0.1928%0.284CS..Hα-helixtrans-61.7-46.4174.600000111.5I563 C585 I586 S591 Y592 K593 P597I563-A589 HydrophobicContact CD1-CB 4.2Å; C585-A589 WeakPolarHBondContact O-CB 3.46Å; C585-A589 PolarHBondContact O-N 3.05Å; I586-A589 HydrophobicContact CD1-CB 4.42Å; I586-A589 PolarHBondContact O-N 3.46Å; A589-S591 VanDerWaalsContact C-N 3.28Å; A589-S591 PolarHBondContact O-N 3.05Å; A589-Y592 PolarHBondContact O-N 3.24Å; A589-Y592 VanDerWaalsContact O-N 3.12Å; A589-K593 PolarHBondContact O-N 2.8Å; A589-P597 HydrophobicContact CB-CG 4.13Å
590M88.1Confident89.1Confident39 Ų3956.4 Ų56.419%0.19230%0.303CS..Hα-helixtrans-64.7-26.8179.2-70.7-79.4170.500113.6L574 I586 K593 P594 I595 Y603L574-M590 HydrophobicContact CD1-CE 3.68Å; L574-M590 HydrophobicContact CD2-CE 3.93Å; L574-M590 HydrophobicContact CG-CE 4.5Å; I586-M590 HydrophobicContact CD1-CE 3.83Å; I586-M590 HydrophobicContact CD1-CG 4.22Å; I586-M590 HydrophobicContact CG1-CE 4.25Å; I586-M590 HydrophobicContact CG1-CG 4.22Å; I586-M590 VanDerWaalsContact O-CB 3.26Å; I586-M590 WeakPolarHBondContact O-CB 3.23Å; I586-M590 WeakPolarHBondContact O-CG 3.25Å; I586-M590 PolarHBondContact O-N 2.91Å; M590-K593 WeakPolarHBondContact CA-O 3.38Å; M590-K593 CarbonylContact O-C 3.59Å; M590-P594 VanDerWaalsContact SD-CA 3.59Å; M590-P594 HydrophobicContact SD-CB 4.37Å; M590-I595 VanDerWaalsContact CE-C 3.48Å; M590-I595 WeakPolarHBondContact CE-O 3.44Å; M590-Y603 HydrophobicContact CE-CD2 3.75Å; M590-Y603 HydrophobicContact CE-CG 4.08Å
591S83.3Confident88.5Confident90 Ų9055.1 Ų55.163%0.62930%0.301SS*.Hα-helixtrans-71.7-25.7173.655.90000113.9S587 K588 A589S587-S591 PolarHBondContact O-N 2.92Å; S587-S591 VanDerWaalsContact O-N 3.15Å; K588-S591 PolarHBondContact O-N 3.15Å; K588-S591 PolarHBondContact O-OG 3.4Å; A589-S591 VanDerWaalsContact C-N 3.28Å; A589-S591 PolarHBondContact O-N 3.05Å
592Y77.9Confident87.9Confident177 Ų17757.1 Ų57.169%0.69432%0.315SS*.Hα-helixtrans-85.1-44.7172.6-62.4-65000111.9K588 A589K588-Y592 HydrophobicContact CD-CE2 4.45Å; K588-Y592 WeakPolarHBondContact CE-OH 3.34Å; K588-Y592 HydrophobicContact CG-CD2 4.47Å; K588-Y592 HydrophobicContact CG-CE2 3.74Å; K588-Y592 WeakPolarHBondContact O-CD2 3.43Å; A589-Y592 PolarHBondContact O-N 3.24Å; A589-Y592 VanDerWaalsContact O-N 3.12Å
593K78.9Confident87.2Confident92 Ų9259.7 Ų59.740%0.433%0.325SS..  trans-150.2123.7176.4-165.1176179.6-1790109.8A589 M590 I595A589-K593 PolarHBondContact O-N 2.8Å; M590-K593 WeakPolarHBondContact CA-O 3.38Å; M590-K593 CarbonylContact O-C 3.59Å; K593-I595 HydrophobicContact CB-CG1 4.38Å; K593-I595 HydrophobicContact CD-CD1 3.74Å; K593-I595 HydrophobicContact CD-CG1 4.04Å; K593-I595 HydrophobicContact CG-CD1 4.27Å; K593-I595 HydrophobicContact CG-CG1 4Å; K593-I595 HydrophobicContact CG-CG2 4.3Å; K593-I595 PolarHBondContact O-N 2.93Å
594P85.3Confident86.3Confident25 Ų2561.3 Ų61.316%0.16234%0.341CS..SBendtrans-81.459.7-172.934.9-37.9000111.9M590 Y603M590-P594 VanDerWaalsContact SD-CA 3.59Å; M590-P594 HydrophobicContact SD-CB 4.37Å; P594-Y603 PolarHBondContact O-N 3.34Å
595I86.8Confident85.2Confident37 Ų3762.7 Ų62.719%0.1935%0.348CS..BIsolated β-bridgetrans-129.1153177.164.9169000110.6M590 K593 P597 Q600 T601M590-I595 VanDerWaalsContact CE-C 3.48Å; M590-I595 WeakPolarHBondContact CE-O 3.44Å; K593-I595 HydrophobicContact CB-CG1 4.38Å; K593-I595 HydrophobicContact CD-CD1 3.74Å; K593-I595 HydrophobicContact CD-CG1 4.04Å; K593-I595 HydrophobicContact CG-CD1 4.27Å; K593-I595 HydrophobicContact CG-CG1 4Å; K593-I595 HydrophobicContact CG-CG2 4.3Å; K593-I595 PolarHBondContact O-N 2.93Å; I595-P597 WeakPolarHBondContact O-CD 3.4Å; I595-Q600 HydrophobicContact CD1-CB 4.42Å; I595-T601 CarbonylContact C-O 3.57Å; I595-T601 WeakPolarHBondContact CA-O 3.45Å
596C89.6Confident84.3Confident0 Ų063.5 Ų63.50%035%0.349CS..  trans-66.4124.7171.2178.80000110.8L574 C577 T598 Q600 T601 Y603L574-C596 HydrophobicContact CD1-CB 3.74Å; C577-C596 VanDerWaalsContact SG-SG 3.62Å; C596-T598 VanDerWaalsContact C-N 3.26Å; C596-T598 PolarHBondContact O-N 2.84Å; C596-T598 PolarHBondContact SG-N 3.43Å; C596-Q600 WeakPolarHBondContact O-CA 3.43Å; C596-Q600 PolarHBondContact O-N 3.03Å; C596-T601 PolarHBondContact N-O 2.98Å; C596-Y603 HydrophobicContact CB-CE2 4.05Å
597P90.1Very high83.8Confident59 Ų5970.5 Ų70.538%0.38338%0.379SS..THydrogen-bonded Turntrans-60-31.2176.5-28.738.2000114.4I563 F581 I586 A589 I595I563-P597 HydrophobicContact CD1-CG 4Å; I563-P597 HydrophobicContact CG1-CB 4.35Å; I563-P597 HydrophobicContact CG1-CG 4.17Å; F581-P597 HydrophobicContact CE1-CB 4.06Å; F581-P597 HydrophobicContact CE1-CG 4.1Å; F581-P597 HydrophobicContact CZ-CB 4.47Å; F581-P597 HydrophobicContact CZ-CG 4.4Å; I586-P597 VanDerWaalsContact CD1-CD 3.44Å; I586-P597 HydrophobicContact CD1-CG 3.9Å; A589-P597 HydrophobicContact CB-CG 4.13Å; I595-P597 WeakPolarHBondContact O-CD 3.4Å
598T88.8Confident83.7Confident69 Ų6968.7 Ų68.742%0.42337%0.369SS..THydrogen-bonded Turntrans-77.3-43.7-179.7-42.50000114.4F581 C596F581-T598 VanDerWaalsContact CZ-OG1 3.26Å; F581-T598 WeakPolarHBondContact CZ-OG1 3.33Å; C596-T598 VanDerWaalsContact C-N 3.26Å; C596-T598 PolarHBondContact O-N 2.84Å; C596-T598 PolarHBondContact SG-N 3.43Å
599C86.3Confident83.8Confident50 Ų5064.2 Ų64.234%0.33835%0.351SS..THydrogen-bonded Turntrans-131.911-169.969.20000114.7C577 H579 T601C577-C599 VanDerWaalsContact CB-SG 3.54Å; C577-C599 VanDerWaalsContact SG-SG 3.65Å; H579-C599 VanDerWaalsContact CE1-CB 3.49Å; H579-C599 WeakPolarHBondContact CE1-CB 2.95Å; H579-C599 PolarHBondContact CE1-SG 2.98Å; H579-C599 PolarHBondContact ND1-SG 3.4Å; C599-T601 PolarHBondContact O-N 3.34Å; C599-T601 PolarHBondContact SG-OG1 2.79Å
600Q82.8Confident84.1Confident150 Ų15063.4 Ų63.470%0.70134%0.343SS*.  trans59.53.6175.2-49.6-175.226.700116.6I595 C596 S602I595-Q600 HydrophobicContact CD1-CB 4.42Å; C596-Q600 WeakPolarHBondContact O-CA 3.43Å; C596-Q600 PolarHBondContact O-N 3.03Å; Q600-S602 PolarHBondContact O-N 3Å
601T82.6Confident84.5Confident48 Ų4861.8 Ų61.829%0.29434%0.336SS..  trans-52.2129.3174.1-55.70000111K576 C577 I595 C596 C599 Y603K576-T601 HydrophobicContact CB-CG2 4.03Å; K576-T601 HydrophobicContact CD-CG2 4.03Å; C577-T601 HydrophobicContact CB-CG2 4.42Å; I595-T601 CarbonylContact C-O 3.57Å; I595-T601 WeakPolarHBondContact CA-O 3.45Å; C596-T601 PolarHBondContact N-O 2.98Å; C599-T601 PolarHBondContact O-N 3.34Å; C599-T601 PolarHBondContact SG-OG1 2.79Å; T601-Y603 HydrophobicContact CG2-CE2 3.96Å; T601-Y603 WeakPolarHBondContact O-CD2 3.31Å; T601-Y603 WeakPolarHBondContact O-CE2 3.44Å
602S81.5Confident85.1Confident42 Ų4263 Ų6329%0.29433%0.332SS..BIsolated β-bridgetrans-78.3141-177.560.80000113.1K576 Q600K576-S602 WeakPolarHBondContact CD-O 3.35Å; K576-S602 WeakPolarHBondContact CE-O 3.46Å; K576-S602 PolarHBondContact NZ-O 3.46Å; Q600-S602 PolarHBondContact O-N 3Å
603Y81.1Confident86Confident54 Ų5455.7 Ų55.721%0.21231%0.309CS..  trans-125-5.5-178.5-77.9-85.9000114.1L574 P575 K576 C577 M590 P594 C596 T601L574-Y603 HydrophobicContact CB-CE1 4.08Å; L574-Y603 HydrophobicContact CB-CE2 4.16Å; L574-Y603 VanDerWaalsContact CB-OH 3.32Å; L574-Y603 WeakPolarHBondContact CB-OH 3.44Å; L574-Y603 HydrophobicContact CD1-CD2 4.31Å; L574-Y603 HydrophobicContact CD1-CE2 3.83Å; P575-Y603 HydrophobicContact CG-CD1 4.5Å; P575-Y603 HydrophobicContact CG-CE1 3.93Å; K576-Y603 WeakPolarHBondContact CA-OH 3.29Å; K576-Y603 HydrophobicContact CB-CE1 3.91Å; K576-Y603 VanDerWaalsContact CB-OH 3.3Å; K576-Y603 WeakPolarHBondContact CB-OH 3.21Å; K576-Y603 HydrophobicContact CD-CD1 4.34Å; K576-Y603 HydrophobicContact CD-CE1 3.98Å; K576-Y603 HydrophobicContact CG-CD1 4.4Å; K576-Y603 HydrophobicContact CG-CE1 3.66Å; K576-Y603 PolarHBondContact N-OH 2.64Å; C577-Y603 PolarHBondContact N-OH 3.48Å; C577-Y603 PolarHBondContact SG-OH 3.47Å; M590-Y603 HydrophobicContact CE-CD2 3.75Å; M590-Y603 HydrophobicContact CE-CG 4.08Å; P594-Y603 PolarHBondContact O-N 3.34Å; C596-Y603 HydrophobicContact CB-CE2 4.05Å; T601-Y603 HydrophobicContact CG2-CE2 3.96Å; T601-Y603 WeakPolarHBondContact O-CD2 3.31Å; T601-Y603 WeakPolarHBondContact O-CE2 3.44Å
604G74.8Confident86.8Confident40 Ų4053.6 Ų53.641%0.41231%0.307SS..SBendtrans-160.3177.917800000111.7H606G604-H606 PolarHBondContact O-N 2.85Å
605V72.4Confident87.4Confident109 Ų10953.6 Ų53.666%0.66131%0.305SS*.  trans-71.1111.3177.6-178.20000108.6K607 Q683V605-K607 PolarHBondContact O-N 2.81Å; V605-Q683 HydrophobicContact CG1-CG 3.7Å
606H74.6Confident87.9Confident48 Ų4856.4 Ų56.422%0.22232%0.319CS..  trans-80.4108174.2178.735000108.9G604G604-H606 PolarHBondContact O-N 2.85Å
607K83.8Confident88.3Confident147 Ų14758.7 Ų58.764%0.63933%0.333SS*.  trans-85.3133.5170.4-158175.4-177.4-176.80109.5V605 Q683 K684V605-K607 PolarHBondContact O-N 2.81Å; K607-Q683 CarbonylContact C-O 3.54Å; K607-Q683 VanDerWaalsContact CA-O 3.29Å; K607-Q683 WeakPolarHBondContact CA-O 3.49Å; K607-K684 HydrophobicContact CG-CB 4.2Å; K607-K684 HydrophobicContact CG-CG 4.2Å
608G89.3Confident88.7Confident14 Ų1459.2 Ų59.214%0.14434%0.335CS..  trans-96.2-178.1172.900000113.4Q683 K684G608-Q683 PolarHBondContact N-O 2.93Å; G608-K684 CarbonylContact C-O 3.56Å; G608-K684 VanDerWaalsContact C-O 3.27Å; G608-K684 WeakPolarHBondContact CA-O 3.39Å; G608-K684 WeakPolarHBondContact O-CB 3.42Å
609N92.3Very high89Confident35 Ų3560.1 Ų60.119%0.18734%0.341CS..  trans-94.711.8-175.464.8-2.9000114.1E647 H648 T688N609-E647 HydrophobicContact CB-CB 3.83Å; N609-E647 WeakPolarHBondContact CB-OE2 3.43Å; N609-E647 PolarHBondContact ND2-O 3.26Å; N609-H648 PolarHBondContact O-CE1 2.73Å; N609-H648 PolarHBondContact O-NE2 2.93Å; N609-T688 VanDerWaalsContact CG-OG1 3.27Å; N609-T688 PolarHBondContact ND2-OG1 3.43Å; N609-T688 VanDerWaalsContact ND2-OG1 3.15Å; N609-T688 WeakPolarHBondContact OD1-CB 3.25Å; N609-T688 PolarHBondContact OD1-OG1 2.87Å
610Q96.2Very high89.5Confident7 Ų759.4 Ų59.43%0.03334%0.336CS..PPolyproline II helixtrans-49.9129.9-179.4161.4177.3-43.600113.1M639 F681 K684 F687Q610-M639 HydrophobicContact CG-CE 3.71Å; Q610-F681 PolarHBondContact NE2-O 3.13Å; Q610-K684 VanDerWaalsContact CB-C 3.45Å; Q610-K684 HydrophobicContact CB-CB 3.79Å; Q610-K684 HydrophobicContact CB-CD 4.18Å; Q610-K684 WeakPolarHBondContact CB-O 3.32Å; Q610-K684 HydrophobicContact CG-CD 4.16Å; Q610-K684 PolarHBondContact N-O 3.26Å; Q610-F687 WeakPolarHBondContact CA-O 3.47Å; Q610-F687 HydrophobicContact CB-CB 4.34Å; Q610-F687 WeakPolarHBondContact CB-O 3.19Å; Q610-F687 HydrophobicContact CG-CB 4.01Å; Q610-F687 HydrophobicContact CG-CD2 4.46Å; Q610-F687 VanDerWaalsContact OE1-N 3.11Å
611P95.5Very high90Very high5 Ų563.8 Ų63.83%0.03235%0.346CS..PPolyproline II helixtrans-53.1162.5171.9-32.438.7000115.5M639 Y655 V689 I701P611-M639 HydrophobicContact CB-CE 4.45Å; P611-M639 WeakPolarHBondContact O-CE 3.36Å; P611-Y655 HydrophobicContact CB-CE2 3.85Å; P611-Y655 WeakPolarHBondContact CB-OH 3.24Å; P611-Y655 HydrophobicContact CG-CE2 3.74Å; P611-V689 HydrophobicContact CG-CG2 3.52Å; P611-I701 HydrophobicContact CB-CD1 4.24Å; P611-I701 HydrophobicContact CG-CD1 4.18Å; P611-I701 HydrophobicContact CG-CG1 4.22Å
612E95.8Very high90.6Very high116 Ų11665.7 Ų65.754%0.54235%0.354SS..SBendtrans-67.8141.5173.5-70-52.1139.500112.7K640 K684E612-K640 HydrophobicContact CB-CD 4.48Å; E612-K640 WeakPolarHBondContact O-CB 3.25Å; E612-K640 PolarHBondContact O-N 2.97Å; E612-K684 WeakPolarHBondContact OE1-CE 3.15Å; E612-K684 IonicContact OE1-NZ 3.62Å; E612-K684 PolarHBondContact OE1-NZ 2.84Å; E612-K684 IonicContact OE2-NZ 2.64Å; E612-K684 PolarHBondContact OE2-NZ 3Å
613G96.6Very high91.3Very high22 Ų2266.1 Ų66.123%0.22736%0.357CS..EExtended strand (participates in β ladder)trans179.5-173.3-172.900000112.4S638G613-S638 CarbonylContact C-O 3.55Å; G613-S638 WeakPolarHBondContact CA-O 3.4Å
614S97.4Very high92.1Very high49 Ų4963.6 Ų63.634%0.34335%0.347SS..EExtended strand (participates in β ladder)trans-131151.3176.4560000111.9Y637 S638S614-Y637 WeakPolarHBondContact O-CA 3.4Å; S614-S638 PolarHBondContact N-O 2.97Å; S614-S638 PolarHBondContact O-N 3.18Å
615M97.8Very high93.1Very high24 Ų2463 Ų6312%0.11834%0.336CS..EExtended strand (participates in β ladder)trans-119.8114.1172.6175.5-178.1176.100107.5V617 I635 Y637 L674 L677 F681M615-V617 HydrophobicContact CE-CG2 4.35Å; M615-I635 HydrophobicContact CE-CD1 4.31Å; M615-I635 HydrophobicContact CE-CG2 3.76Å; M615-I635 HydrophobicContact CG-CG2 3.86Å; M615-Y637 HydrophobicContact CB-CD1 3.89Å; M615-Y637 HydrophobicContact CB-CE1 3.91Å; M615-Y637 HydrophobicContact CE-CE1 4.35Å; M615-Y637 HydrophobicContact CG-CD1 3.93Å; M615-Y637 HydrophobicContact CG-CE1 3.53Å; M615-Y637 HydrophobicContact SD-CE1 3.72Å; M615-L674 HydrophobicContact CE-CD1 3.98Å; M615-L677 HydrophobicContact CE-CB 4.05Å; M615-F681 HydrophobicContact CB-CD1 3.82Å; M615-F681 HydrophobicContact CB-CD2 4.02Å; M615-F681 HydrophobicContact CB-CE1 3.81Å; M615-F681 HydrophobicContact CB-CE2 4.01Å; M615-F681 HydrophobicContact CB-CG 3.94Å; M615-F681 HydrophobicContact CB-CZ 3.91Å; M615-F681 HydrophobicContact SD-CB 3.74Å; M615-F681 HydrophobicContact SD-CD1 4.41Å; M615-F681 HydrophobicContact SD-CD2 4.31Å; M615-F681 HydrophobicContact SD-CG 3.9Å
616I97.6Very high94.1Very high97 Ų9760 Ų6050%0.49733%0.327SS..EExtended strand (participates in β ladder)trans-115.4130.6-178.2-59.6175.3000108.2N636I616-N636 PolarHBondContact N-O 3.38Å; I616-N636 PolarHBondContact O-N 3.09Å
617V97.8Very high95Very high47 Ų4759.3 Ų59.329%0.28532%0.323SS..EExtended strand (participates in β ladder)trans-113.4134.2-178-173.30000110M615 I633 V634 L674 H678M615-V617 HydrophobicContact CE-CG2 4.35Å; V617-I633 HydrophobicContact CG1-CG2 3.6Å; V617-V634 WeakPolarHBondContact CA-O 3.38Å; V617-L674 HydrophobicContact CG1-CD1 4.17Å; V617-L674 HydrophobicContact CG1-CD2 3.95Å; V617-L674 HydrophobicContact CG2-CD1 3.87Å; V617-H678 WeakPolarHBondContact CG2-NE2 3.06Å
618T97.6Very high95.6Very high70 Ų7058.4 Ų58.443%0.42932%0.321SS..EExtended strand (participates in β ladder)trans-132.2164.6171.457.80000109.8V634T618-V634 PolarHBondContact N-O 3.36Å; T618-V634 PolarHBondContact O-N 3.14Å
619V96.1Very high95.7Very high89 Ų8963.8 Ų63.854%0.53936%0.356SS..EExtended strand (participates in β ladder)trans-123.8127177.8-177.30000109.1T632 I633 D666V619-T632 CarbonylContact C-O 3.45Å; V619-T632 WeakPolarHBondContact CA-O 3.22Å; V619-I633 HydrophobicContact CG2-CG1 4.49Å; V619-D666 HydrophobicContact CG1-CB 4.25Å
620S95.3Very high95.9Very high34 Ų3463 Ų6324%0.23835%0.353CS..EExtended strand (participates in β ladder)trans-98.4152.5168.5-171.40000110.6D622 G631 T632S620-D622 VanDerWaalsContact C-N 3.31Å; S620-D622 PolarHBondContact OG-N 3.33Å; S620-D622 PolarHBondContact OG-OD2 3.03Å; S620-G631 WeakPolarHBondContact O-CA 3.38Å; S620-T632 PolarHBondContact N-O 3.4Å; S620-T632 PolarHBondContact O-N 3.22Å
621R94.8Very high95.9Very high242 Ų24263.4 Ų63.491%0.91336%0.359SS*.SBendtrans-77.3-16.2171.8-63.6-176.1-178.6-174.70.3113.1
622D94.8Very high96Very high88 Ų8863.1 Ų63.147%0.47136%0.358SS..PPolyproline II helixtrans-64.1136.4176.6-32.6-54.4000110.1S620 G631 T632 K712S620-D622 VanDerWaalsContact C-N 3.31Å; S620-D622 PolarHBondContact OG-N 3.33Å; S620-D622 PolarHBondContact OG-OD2 3.03Å; D622-G631 CarbonylContact O-C 3.6Å; D622-G631 VanDerWaalsContact O-C 3.3Å; D622-G631 WeakPolarHBondContact O-CA 3.46Å; D622-T632 WeakPolarHBondContact O-CB 3.29Å; D622-T632 PolarHBondContact O-N 3.02Å; D622-T632 PolarHBondContact O-OG1 2.77Å; D622-K712 IonicContact OD2-NZ 3.17Å; D622-K712 PolarHBondContact OD2-NZ 3.21Å
623S96.7Very high96.1Very high51 Ų5157.7 Ų57.736%0.35733%0.332SS..PPolyproline II helixtrans-80.5152172.2-41.10000111.9E628 C630S623-E628 PolarHBondContact OG-O 3.14Å; S623-C630 VanDerWaalsContact CA-O 3.28Å; S623-C630 WeakPolarHBondContact CA-O 3.39Å; S623-C630 VanDerWaalsContact CB-O 3.29Å; S623-C630 WeakPolarHBondContact CB-O 3.12Å; S623-C630 PolarHBondContact OG-O 3.34Å
624L96.8Very high96.2Very high1 Ų157.6 Ų57.61%0.00533%0.327CS..PPolyproline II helixtrans-85.8148.7167.1-66.6172.4000110.1G626 Y627 T632 P665 K712 Y721L624-G626 PolarHBondContact O-N 2.92Å; L624-Y627 HydrophobicContact CB-CD2 4.47Å; L624-Y627 CarbonylContact O-C 3.54Å; L624-Y627 WeakPolarHBondContact O-CA 3.11Å; L624-Y627 PolarHBondContact O-N 3.01Å; L624-T632 HydrophobicContact CD1-CG2 4.16Å; L624-T632 HydrophobicContact CD2-CG2 3.88Å; L624-T632 HydrophobicContact CG-CG2 3.97Å; L624-T632 WeakPolarHBondContact CG-OG1 3.31Å; L624-P665 HydrophobicContact CD1-CB 4.37Å; L624-K712 HydrophobicContact CD2-CB 4.09Å; L624-K712 HydrophobicContact CD2-CD 4.39Å; L624-K712 HydrophobicContact CD2-CG 3.92Å; L624-Y721 HydrophobicContact CB-CD1 4.48Å; L624-Y721 HydrophobicContact CB-CG 4.28Å; L624-Y721 HydrophobicContact CD1-CD1 4.41Å; L624-Y721 HydrophobicContact CD1-CD2 3.89Å; L624-Y721 HydrophobicContact CD1-CE1 4.16Å; L624-Y721 HydrophobicContact CD1-CE2 3.58Å; L624-Y721 HydrophobicContact CD1-CG 4.29Å; L624-Y721 HydrophobicContact CD2-CD2 4.12Å; L624-Y721 HydrophobicContact CD2-CE2 4.48Å; L624-Y721 HydrophobicContact CG-CD2 4.41Å
625P95.6Very high96.3Very high28 Ų2855.2 Ų55.218%0.18231%0.311CS..THydrogen-bonded Turntrans-54.6128.6170.7-24.332.1000112.4Y627 K712 F713 P722P625-Y627 VanDerWaalsContact C-N 3.33Å; P625-K712 VanDerWaalsContact CD-O 3.31Å; P625-K712 WeakPolarHBondContact CD-O 3.35Å; P625-F713 HydrophobicContact CG-CD1 3.56Å; P625-F713 HydrophobicContact CG-CE1 3.75Å; P625-P722 HydrophobicContact CB-CB 4.22Å; P625-P722 HydrophobicContact CB-CG 4.43Å; P625-P722 WeakPolarHBondContact O-CA 3.39Å
626G93.8Very high96.3Very high45 Ų4556.7 Ų56.746%0.46432%0.319SS..THydrogen-bonded Turntrans825.5-173.200000114.7L624 E628L624-G626 PolarHBondContact O-N 2.92Å; G626-E628 VanDerWaalsContact C-OE2 3.3Å; G626-E628 WeakPolarHBondContact CA-OE2 3.38Å; G626-E628 PolarHBondContact N-OE1 3.34Å
627Y94.4Very high96.3Very high34 Ų3452.2 Ų52.213%0.13330%0.296CS..  trans-139.839.3179.3-68.2-80.1000111.3L624 P625 S629 C630 P665 N667 Y721 L727L624-Y627 HydrophobicContact CB-CD2 4.47Å; L624-Y627 CarbonylContact O-C 3.54Å; L624-Y627 WeakPolarHBondContact O-CA 3.11Å; L624-Y627 PolarHBondContact O-N 3.01Å; P625-Y627 VanDerWaalsContact C-N 3.33Å; Y627-S629 PolarHBondContact O-N 3.22Å; Y627-C630 PolarHBondContact O-N 3.43Å; Y627-C630 VanDerWaalsContact O-N 3.15Å; Y627-C630 VanDerWaalsContact O-O 3.13Å; Y627-C630 PolarHBondContact O-SG 2.96Å; Y627-C630 VanDerWaalsContact O-SG 3.41Å; Y627-P665 HydrophobicContact CD1-CB 3.68Å; Y627-P665 HydrophobicContact CD1-CG 3.79Å; Y627-P665 HydrophobicContact CD2-CB 4.12Å; Y627-P665 HydrophobicContact CD2-CG 4.17Å; Y627-P665 HydrophobicContact CE1-CB 4.25Å; Y627-P665 HydrophobicContact CE1-CG 3.83Å; Y627-P665 HydrophobicContact CE2-CG 4.21Å; Y627-P665 HydrophobicContact CG-CB 3.6Å; Y627-P665 HydrophobicContact CG-CG 3.96Å; Y627-N667 WeakPolarHBondContact CD1-ND2 3.45Å; Y627-Y721 HydrophobicContact CD2-CD1 4.03Å; Y627-Y721 HydrophobicContact CD2-CE1 4.03Å; Y627-Y721 AromaticContact CE2-CD1 3.89Å; Y627-Y721 HydrophobicContact CE2-CD1 3.89Å; Y627-Y721 AromaticContact CE2-CE1 3.65Å; Y627-Y721 HydrophobicContact CE2-CE1 3.65Å; Y627-L727 HydrophobicContact CE1-CD1 4.17Å; Y627-L727 WeakPolarHBondContact OH-CD1 3.21Å
628E95.3Very high96.3Very high129 Ų12952.1 Ų52.160%0.60330%0.297SS*.THydrogen-bonded Turntrans-55.7-28.9-170.5-70.666.7-148.800113.7S623 G626 C630S623-E628 PolarHBondContact OG-O 3.14Å; G626-E628 VanDerWaalsContact C-OE2 3.3Å; G626-E628 WeakPolarHBondContact CA-OE2 3.38Å; G626-E628 PolarHBondContact N-OE1 3.34Å; E628-C630 VanDerWaalsContact C-N 3.34Å; E628-C630 PolarHBondContact O-N 3.37Å
629S92.8Very high96.3Very high126 Ų12649.1 Ų49.188%0.88128%0.278SS*.THydrogen-bonded Turntrans-81.30.7-177.157.80000115.7Y627Y627-S629 PolarHBondContact O-N 3.22Å
630C94.8Very high96.3Very high19 Ų1951.7 Ų51.713%0.12828%0.282CS..SBendtrans-143.9158.717963.50000112.3S623 Y627 E628 N667S623-C630 VanDerWaalsContact CA-O 3.28Å; S623-C630 WeakPolarHBondContact CA-O 3.39Å; S623-C630 VanDerWaalsContact CB-O 3.29Å; S623-C630 WeakPolarHBondContact CB-O 3.12Å; S623-C630 PolarHBondContact OG-O 3.34Å; Y627-C630 PolarHBondContact O-N 3.43Å; Y627-C630 VanDerWaalsContact O-N 3.15Å; Y627-C630 VanDerWaalsContact O-O 3.13Å; Y627-C630 PolarHBondContact O-SG 2.96Å; Y627-C630 VanDerWaalsContact O-SG 3.41Å; E628-C630 VanDerWaalsContact C-N 3.34Å; E628-C630 PolarHBondContact O-N 3.37Å; C630-N667 HydrophobicContact CB-CB 4.22Å
631G96.6Very high96.4Very high15 Ų1552.2 Ų52.216%0.15529%0.293CS..  trans-71.7-165.8177.600000113.9S620 D622 D666S620-G631 WeakPolarHBondContact O-CA 3.38Å; D622-G631 CarbonylContact O-C 3.6Å; D622-G631 VanDerWaalsContact O-C 3.3Å; D622-G631 WeakPolarHBondContact O-CA 3.46Å; G631-D666 PolarHBondContact O-N 3.29Å
632T98.3Very high96.4Very high0 Ų041.9 Ų41.90%026%0.262CS..EExtended strand (participates in β ladder)trans-120.2122.6-180-57.40000110.9V619 S620 D622 L624 V634 Y663 L664V619-T632 CarbonylContact C-O 3.45Å; V619-T632 WeakPolarHBondContact CA-O 3.22Å; S620-T632 PolarHBondContact N-O 3.4Å; S620-T632 PolarHBondContact O-N 3.22Å; D622-T632 WeakPolarHBondContact O-CB 3.29Å; D622-T632 PolarHBondContact O-N 3.02Å; D622-T632 PolarHBondContact O-OG1 2.77Å; L624-T632 HydrophobicContact CD1-CG2 4.16Å; L624-T632 HydrophobicContact CD2-CG2 3.88Å; L624-T632 HydrophobicContact CG-CG2 3.97Å; L624-T632 WeakPolarHBondContact CG-OG1 3.31Å; T632-V634 HydrophobicContact CG2-CG2 4.05Å; T632-Y663 HydrophobicContact CG2-CD1 3.8Å; T632-Y663 HydrophobicContact CG2-CG 4.38Å; T632-L664 CarbonylContact C-O 3.42Å
633I98.5Very high96.5Very high2 Ų242.2 Ų42.21%0.0126%0.263CS..EExtended strand (participates in β ladder)trans-75.5125.1161.9-59.2168.2000107.7V617 V619 I635 Y663 L664 D666 K671 L674V617-I633 HydrophobicContact CG1-CG2 3.6Å; V619-I633 HydrophobicContact CG2-CG1 4.49Å; I633-I635 HydrophobicContact CG2-CG1 4.19Å; I633-Y663 WeakPolarHBondContact O-CA 3.14Å; I633-L664 HydrophobicContact CB-CB 4.16Å; I633-L664 HydrophobicContact CD1-CB 4.48Å; I633-L664 PolarHBondContact N-O 3.16Å; I633-L664 PolarHBondContact O-N 3.4Å; I633-D666 HydrophobicContact CG1-CB 3.95Å; I633-D666 WeakPolarHBondContact CG1-OD1 3.12Å; I633-K671 HydrophobicContact CD1-CG 3.98Å; I633-L674 HydrophobicContact CD1-CD2 4.33Å; I633-L674 HydrophobicContact CG2-CD1 4.19Å; I633-L674 HydrophobicContact CG2-CD2 4.06Å
634V98.3Very high96.5Very high19 Ų1940 Ų4012%0.11525%0.247CC..EExtended strand (participates in β ladder)trans-111.4118.2178.2-176.50000108.2V617 T618 T632 T661 Y663V617-V634 WeakPolarHBondContact CA-O 3.38Å; T618-V634 PolarHBondContact N-O 3.36Å; T618-V634 PolarHBondContact O-N 3.14Å; T632-V634 HydrophobicContact CG2-CG2 4.05Å; V634-T661 HydrophobicContact CG1-CG2 3.6Å; V634-Y663 HydrophobicContact CB-CD1 4.48Å; V634-Y663 HydrophobicContact CG1-CD1 4.3Å; V634-Y663 HydrophobicContact CG1-CE1 3.94Å; V634-Y663 HydrophobicContact CG2-CD1 3.99Å; V634-Y663 HydrophobicContact CG2-CE1 4.04Å
635I98.4Very high96.3Very high0 Ų043.4 Ų43.40%027%0.267CS..EExtended strand (participates in β ladder)trans-105.5121.2179.6-51.3173.7000108M615 I633 Y637 T661 A662 L664 L674 L677M615-I635 HydrophobicContact CE-CD1 4.31Å; M615-I635 HydrophobicContact CE-CG2 3.76Å; M615-I635 HydrophobicContact CG-CG2 3.86Å; I633-I635 HydrophobicContact CG2-CG1 4.19Å; I635-Y637 HydrophobicContact CB-CE2 4.49Å; I635-Y637 HydrophobicContact CG2-CD1 4.48Å; I635-Y637 HydrophobicContact CG2-CD2 4.25Å; I635-Y637 HydrophobicContact CG2-CE1 3.96Å; I635-Y637 HydrophobicContact CG2-CE2 3.72Å; I635-T661 CarbonylContact O-C 3.5Å; I635-T661 VanDerWaalsContact O-CA 3.29Å; I635-T661 WeakPolarHBondContact O-CA 3.19Å; I635-A662 HydrophobicContact CB-CB 4.47Å; I635-A662 PolarHBondContact N-O 3.43Å; I635-A662 PolarHBondContact O-N 3.5Å; I635-L664 HydrophobicContact CD1-CD1 3.96Å; I635-L664 HydrophobicContact CD1-CG 4.32Å; I635-L674 HydrophobicContact CD1-CD1 3.6Å; I635-L674 HydrophobicContact CG1-CD1 3.89Å; I635-L677 HydrophobicContact CD1-CD1 3.75Å
636N98.1Very high96.1Very high55 Ų5549.9 Ų49.929%0.29430%0.295SS..EExtended strand (participates in β ladder)trans-111.1115176.6-67.4-64.7000110I616 T661I616-N636 PolarHBondContact N-O 3.38Å; I616-N636 PolarHBondContact O-N 3.09Å; N636-T661 WeakPolarHBondContact OD1-CB 3.11Å; N636-T661 WeakPolarHBondContact OD1-CG2 3.43Å; N636-T661 PolarHBondContact OD1-OG1 3.49Å
637Y98.2Very high95.8Very high3 Ų354.1 Ų54.11%0.01230%0.303CS..EExtended strand (participates in β ladder)trans-95129.5172.5-59.6-74000109.8S614 M615 I635 Q659 R660 A662 F681 I686 F687 W703 H708S614-Y637 WeakPolarHBondContact O-CA 3.4Å; M615-Y637 HydrophobicContact CB-CD1 3.89Å; M615-Y637 HydrophobicContact CB-CE1 3.91Å; M615-Y637 HydrophobicContact CE-CE1 4.35Å; M615-Y637 HydrophobicContact CG-CD1 3.93Å; M615-Y637 HydrophobicContact CG-CE1 3.53Å; M615-Y637 HydrophobicContact SD-CE1 3.72Å; I635-Y637 HydrophobicContact CB-CE2 4.49Å; I635-Y637 HydrophobicContact CG2-CD1 4.48Å; I635-Y637 HydrophobicContact CG2-CD2 4.25Å; I635-Y637 HydrophobicContact CG2-CE1 3.96Å; I635-Y637 HydrophobicContact CG2-CE2 3.72Å; Y637-Q659 VanDerWaalsContact O-CA 3.29Å; Y637-Q659 WeakPolarHBondContact O-CA 3.43Å; Y637-R660 PolarHBondContact N-O 3.08Å; Y637-R660 PolarHBondContact O-N 2.9Å; Y637-A662 HydrophobicContact CE2-CB 4.44Å; Y637-F681 AromaticContact CD1-CD2 3.82Å; Y637-F681 HydrophobicContact CD1-CD2 3.82Å; Y637-F681 AromaticContact CD1-CE2 3.67Å; Y637-F681 HydrophobicContact CD1-CE2 3.67Å; Y637-F681 AromaticContact CE1-CD2 3.66Å; Y637-F681 HydrophobicContact CE1-CD2 3.66Å; Y637-F681 HydrophobicContact CE1-CE2 4.02Å; Y637-F681 HydrophobicContact CE1-CG 4.5Å; Y637-I686 HydrophobicContact CE1-CG2 4.28Å; Y637-F687 AromaticContact CD1-CE2 3.76Å; Y637-F687 HydrophobicContact CD1-CE2 3.76Å; Y637-F687 HydrophobicContact CD1-CZ 4.27Å; Y637-F687 HydrophobicContact CD2-CE2 4.18Å; Y637-F687 AromaticContact CD2-CZ 3.84Å; Y637-F687 HydrophobicContact CD2-CZ 3.84Å; Y637-F687 HydrophobicContact CE1-CE2 4.34Å; Y637-F687 HydrophobicContact CE2-CZ 4.42Å; Y637-F687 AromaticContact CG-CE2 3.65Å; Y637-F687 HydrophobicContact CG-CE2 3.65Å; Y637-F687 AromaticContact CG-CZ 3.72Å; Y637-F687 HydrophobicContact CG-CZ 3.72Å; Y637-W703 AromaticContact CD2-CH2 3.84Å; Y637-W703 HydrophobicContact CD2-CH2 3.84Å; Y637-W703 HydrophobicContact CD2-CZ3 4.11Å; Y637-W703 AromaticContact CE2-CH2 3.81Å; Y637-W703 HydrophobicContact CE2-CH2 3.81Å; Y637-W703 AromaticContact CE2-CZ3 3.85Å; Y637-W703 HydrophobicContact CE2-CZ3 3.85Å; Y637-H708 AromaticContact CE2-CD2 3.7Å; Y637-H708 AromaticContact CE2-NE2 3.67Å; Y637-H708 AromaticContact CZ-NE2 3.61Å; Y637-H708 PolarHBondContact OH-NE2 3.4Å
638S97.7Very high95.7Very high45 Ų4553.2 Ų53.232%0.31530%0.3SS..EExtended strand (participates in β ladder)trans-124.699.9173.4-179.10000109.5G613 S614G613-S638 CarbonylContact C-O 3.55Å; G613-S638 WeakPolarHBondContact CA-O 3.4Å; S614-S638 PolarHBondContact N-O 2.97Å; S614-S638 PolarHBondContact O-N 3.18Å
639M97.9Very high95.5Very high6 Ų651 Ų513%0.0330%0.297CS..EExtended strand (participates in β ladder)trans-99.7131-174-51.4-53.2-64.200110.4Q610 P611 G657 T658 F681 F687 I701Q610-M639 HydrophobicContact CG-CE 3.71Å; P611-M639 HydrophobicContact CB-CE 4.45Å; P611-M639 WeakPolarHBondContact O-CE 3.36Å; M639-G657 CarbonylContact O-C 3.58Å; M639-G657 WeakPolarHBondContact O-CA 3.3Å; M639-T658 HydrophobicContact CB-CG2 4.12Å; M639-T658 HydrophobicContact CG-CG2 4.25Å; M639-T658 PolarHBondContact N-O 3.42Å; M639-T658 PolarHBondContact O-N 3.34Å; M639-F681 HydrophobicContact CE-CE2 4.34Å; M639-F681 HydrophobicContact SD-CE2 3.88Å; M639-F681 HydrophobicContact SD-CZ 4.17Å; M639-F687 HydrophobicContact CE-CD2 3.78Å; M639-F687 HydrophobicContact CE-CE2 4.44Å; M639-F687 HydrophobicContact CE-CG 4.47Å; M639-F687 HydrophobicContact CG-CD2 3.93Å; M639-F687 HydrophobicContact CG-CE2 3.92Å; M639-F687 HydrophobicContact CG-CG 4.46Å; M639-F687 HydrophobicContact CG-CZ 4.45Å; M639-F687 HydrophobicContact SD-CD2 3.65Å; M639-F687 HydrophobicContact SD-CE2 3.7Å; M639-I701 HydrophobicContact CB-CD1 3.71Å; M639-I701 HydrophobicContact CB-CG2 4.39Å; M639-I701 HydrophobicContact CG-CG2 4.39Å
640K96.4Very high95.4Very high144 Ų14448.5 Ų48.563%0.62627%0.273SS*.PPolyproline II helixtrans-77.4148.4-179-61176.5-179.1175.50110.2E612 I701E612-K640 HydrophobicContact CB-CD 4.48Å; E612-K640 WeakPolarHBondContact O-CB 3.25Å; E612-K640 PolarHBondContact O-N 2.97Å; K640-I701 WeakPolarHBondContact O-CD1 3.49Å
641G95.5Very high95.4Very high44 Ų4450.5 Ų50.545%0.45429%0.286SS..PPolyproline II helixtrans-74161.3166.700000110.9Y655 G657G641-Y655 WeakPolarHBondContact CA-O 3.14Å; G641-G657 VanDerWaalsContact N-CA 3.3Å
642G95.9Very high95.2Very high26 Ų2652.5 Ų52.527%0.26831%0.307SS..EExtended strand (participates in β ladder)trans-171.9-161-173.700000114.1R654 Y655G642-R654 WeakPolarHBondContact O-CA 3.22Å; G642-Y655 PolarHBondContact N-O 2.81Å; G642-Y655 PolarHBondContact O-N 2.88Å
643I95.9Very high95.1Very high95 Ų9557.4 Ų57.449%0.48733%0.328SS..EExtended strand (participates in β ladder)trans-115.3136.6175.9-62.3172.7000107.3T645 G652 R654 Y655I643-T645 PolarHBondContact O-N 3.39Å; I643-G652 WeakPolarHBondContact CG2-O 3.4Å; I643-R654 HydrophobicContact CG1-CG 4.07Å; I643-Y655 VanDerWaalsContact C-CE1 3.45Å; I643-Y655 WeakPolarHBondContact O-CE1 3.38Å
644Q96.5Very high94.9Very high5 Ų566.9 Ų66.92%0.02336%0.364CS..  trans-64.2130.3177-74.6-174.964.300110.5H648 N650 G652 K653 Y655 V689 D699Q644-H648 HydrophobicContact CB-CB 3.73Å; Q644-H648 HydrophobicContact CG-CB 3.87Å; Q644-N650 WeakPolarHBondContact CB-O 3.18Å; Q644-N650 PolarHBondContact OE1-O 2.89Å; Q644-G652 PolarHBondContact O-N 2.69Å; Q644-K653 WeakPolarHBondContact CB-O 3.33Å; Q644-K653 WeakPolarHBondContact CG-O 3.32Å; Q644-K653 PolarHBondContact N-O 2.9Å; Q644-Y655 HydrophobicContact CG-CD1 3.76Å; Q644-Y655 HydrophobicContact CG-CE1 4.26Å; Q644-V689 HydrophobicContact CG-CG1 4.05Å; Q644-D699 PolarHBondContact NE2-OD1 3.36Å
645T92.7Very high94.8Very high71 Ų7167.3 Ų67.344%0.43636%0.363SS..  trans-82.4174.3172.2590000111I643 E647 H648I643-T645 PolarHBondContact O-N 3.39Å; T645-E647 PolarHBondContact O-N 3.16Å; T645-E647 VanDerWaalsContact O-N 3.08Å; T645-H648 PolarHBondContact N-ND1 3.48Å; T645-H648 WeakPolarHBondContact O-CB 3.44Å; T645-H648 PolarHBondContact O-N 3.07Å; T645-H648 PolarHBondContact OG1-ND1 2.99Å
646E91.6Very high94.6Very high165 Ų16571.8 Ų71.877%0.77140%0.395SS*.THydrogen-bonded Turntrans-57.5-19.1172.7-54.8-49128.200114.2H648E646-H648 VanDerWaalsContact C-N 3.28Å
647E87.6Confident94.5Very high134 Ų13471 Ų7163%0.62640%0.4SS*.THydrogen-bonded Turntrans-840.5175.9-59.7-179.8178.700113.4N609 T645N609-E647 HydrophobicContact CB-CB 3.83Å; N609-E647 WeakPolarHBondContact CB-OE2 3.43Å; N609-E647 PolarHBondContact ND2-O 3.26Å; T645-E647 PolarHBondContact O-N 3.16Å; T645-E647 VanDerWaalsContact O-N 3.08Å
648H92.9Very high94.3Very high15 Ų1572.8 Ų72.87%0.06941%0.411CS..SBendtrans-112.6160.2-177-72.4107.4000112.3N609 Q644 T645 E646 N650 P651 V689N609-H648 PolarHBondContact O-CE1 2.73Å; N609-H648 PolarHBondContact O-NE2 2.93Å; Q644-H648 HydrophobicContact CB-CB 3.73Å; Q644-H648 HydrophobicContact CG-CB 3.87Å; T645-H648 PolarHBondContact N-ND1 3.48Å; T645-H648 WeakPolarHBondContact O-CB 3.44Å; T645-H648 PolarHBondContact O-N 3.07Å; T645-H648 PolarHBondContact OG1-ND1 2.99Å; E646-H648 VanDerWaalsContact C-N 3.28Å; H648-N650 VanDerWaalsContact C-N 3.31Å; H648-N650 PolarHBondContact O-N 2.94Å; H648-P651 WeakPolarHBondContact O-CD 3.45Å; H648-V689 VanDerWaalsContact CD2-CB 3.42Å; H648-V689 WeakPolarHBondContact CD2-CB 3.36Å
649P90.2Very high94.2Very high82 Ų8278 Ų7853%0.53243%0.43SS..SBendtrans-60.7-30.9-171-2837.2000116.1V689P649-V689 WeakPolarHBondContact CD-O 3.35Å; P649-V689 WeakPolarHBondContact CG-O 3.48Å
650N91.6Very high94.1Very high73 Ų7381 Ų8139%0.3944%0.441SS..SBendtrans-134.279.7-179.2-63.1-69.4000110.3Q644 H648 K653 D699Q644-N650 WeakPolarHBondContact CB-O 3.18Å; Q644-N650 PolarHBondContact OE1-O 2.89Å; H648-N650 VanDerWaalsContact C-N 3.31Å; H648-N650 PolarHBondContact O-N 2.94Å; N650-K653 HydrophobicContact CB-CB 3.99Å; N650-K653 HydrophobicContact CB-CD 4Å; N650-K653 WeakPolarHBondContact O-CB 3.33Å; N650-K653 PolarHBondContact O-N 3.36Å; N650-K653 VanDerWaalsContact O-N 3.13Å; N650-D699 PolarHBondContact ND2-OD1 3.01Å
651P95.1Very high94.2Very high62 Ų6276.3 Ų76.340%0.40343%0.425SS..THydrogen-bonded Turntrans-52.4143.7-178.9-26.235.7000112.8H648 K653H648-P651 WeakPolarHBondContact O-CD 3.45Å; P651-K653 PolarHBondContact O-N 3.31Å
652G92.9Very high94.3Very high56 Ų5674.3 Ų74.358%0.57740%0.404SS*.THydrogen-bonded Turntrans76.7-14.2-175.900000115.6I643 Q644I643-G652 WeakPolarHBondContact CG2-O 3.4Å; Q644-G652 PolarHBondContact O-N 2.69Å
653K94.3Very high94.4Very high103 Ų10375.2 Ų75.245%0.44840%0.4SS..  trans-79.1143.1177.6-165.5170.2179.8-174.60111.8Q644 N650 P651 D699Q644-K653 WeakPolarHBondContact CB-O 3.33Å; Q644-K653 WeakPolarHBondContact CG-O 3.32Å; Q644-K653 PolarHBondContact N-O 2.9Å; N650-K653 HydrophobicContact CB-CB 3.99Å; N650-K653 HydrophobicContact CB-CD 4Å; N650-K653 WeakPolarHBondContact O-CB 3.33Å; N650-K653 PolarHBondContact O-N 3.36Å; N650-K653 VanDerWaalsContact O-N 3.13Å; P651-K653 PolarHBondContact O-N 3.31Å; K653-D699 HydrophobicContact CD-CB 4.4Å; K653-D699 VanDerWaalsContact CE-OD2 3.25Å; K653-D699 WeakPolarHBondContact CE-OD2 3.36Å; K653-D699 IonicContact NZ-OD1 2.63Å; K653-D699 IonicContact NZ-OD2 2.62Å; K653-D699 PolarHBondContact NZ-OD2 3.13Å
654R95Very high94.5Very high202 Ų20270.8 Ų70.876%0.76238%0.377SS*.EExtended strand (participates in β ladder)trans-77.1147.4177.5-73.8-174.9178.3-160.20.2112.6G642 I643G642-R654 WeakPolarHBondContact O-CA 3.22Å; I643-R654 HydrophobicContact CG1-CG 4.07Å
655Y95.7Very high94.6Very high28 Ų2870.5 Ų70.511%0.1138%0.376CS..EExtended strand (participates in β ladder)trans-129.3147.2167.559.9-93000111P611 G641 G642 I643 Q644 V689 D699 I701P611-Y655 HydrophobicContact CB-CE2 3.85Å; P611-Y655 WeakPolarHBondContact CB-OH 3.24Å; P611-Y655 HydrophobicContact CG-CE2 3.74Å; G641-Y655 WeakPolarHBondContact CA-O 3.14Å; G642-Y655 PolarHBondContact N-O 2.81Å; G642-Y655 PolarHBondContact O-N 2.88Å; I643-Y655 VanDerWaalsContact C-CE1 3.45Å; I643-Y655 WeakPolarHBondContact O-CE1 3.38Å; Q644-Y655 HydrophobicContact CG-CD1 3.76Å; Q644-Y655 HydrophobicContact CG-CE1 4.26Å; Y655-V689 HydrophobicContact CD1-CG1 4.09Å; Y655-V689 HydrophobicContact CD1-CG2 3.82Å; Y655-V689 HydrophobicContact CD2-CG2 4.02Å; Y655-V689 HydrophobicContact CE1-CG2 3.87Å; Y655-V689 HydrophobicContact CE2-CG2 4.11Å; Y655-V689 HydrophobicContact CG-CG1 4.05Å; Y655-V689 HydrophobicContact CG-CG2 3.87Å; Y655-D699 WeakPolarHBondContact CA-O 3.39Å; Y655-D699 WeakPolarHBondContact CB-O 3.43Å; Y655-I701 HydrophobicContact CD2-CD1 3.87Å; Y655-I701 HydrophobicContact CD2-CG1 3.74Å; Y655-I701 HydrophobicContact CE2-CD1 3.91Å; Y655-I701 HydrophobicContact CE2-CG1 4.13Å
656S94.4Very high94.8Very high94 Ų9469.1 Ų69.166%0.65737%0.366SS*.  trans-81.4148.7177.1-65.70000112
657G95.4Very high95.1Very high39 Ų3963.1 Ų63.140%0.40234%0.339SS..  trans-66.8165.2171.500000112.1M639 G641M639-G657 CarbonylContact O-C 3.58Å; M639-G657 WeakPolarHBondContact O-CA 3.3Å; G641-G657 VanDerWaalsContact N-CA 3.3Å
658T94.9Very high95.5Very high39 Ų3966.1 Ų66.124%0.23935%0.35CS..EExtended strand (participates in β ladder)trans-148.4154.2179.1-162.20000111.7M639 R660 I701M639-T658 HydrophobicContact CB-CG2 4.12Å; M639-T658 HydrophobicContact CG-CG2 4.25Å; M639-T658 PolarHBondContact N-O 3.42Å; M639-T658 PolarHBondContact O-N 3.34Å; T658-R660 HydrophobicContact CG2-CG 4.41Å; T658-I701 HydrophobicContact CG2-CB 3.77Å; T658-I701 HydrophobicContact CG2-CD1 4.3Å; T658-I701 HydrophobicContact CG2-CG2 3.89Å
659Q96.7Very high95.7Very high155 Ų15569 Ų6972%0.72436%0.364SS*.EExtended strand (participates in β ladder)trans-120.9136.7171.2-68.4179.7-4.700108.8Y637Y637-Q659 VanDerWaalsContact O-CA 3.29Å; Y637-Q659 WeakPolarHBondContact O-CA 3.43Å
660R95.6Very high96Very high68 Ų6865.1 Ų65.126%0.25734%0.338SS..EExtended strand (participates in β ladder)trans-143132.5-179.2-62.5-177.2-172.7-92.35.5110.3Y637 T658 I701 W703Y637-R660 PolarHBondContact N-O 3.08Å; Y637-R660 PolarHBondContact O-N 2.9Å; T658-R660 HydrophobicContact CG2-CG 4.41Å; R660-I701 PolarHBondContact NH2-O 2.87Å; R660-W703 HydrophobicContact CB-CH2 4.16Å; R660-W703 HydrophobicContact CB-CZ2 4.01Å; R660-W703 VanDerWaalsContact CD-CZ2 3.49Å; R660-W703 HydrophobicContact CG-CZ2 4.36Å
661T97.5Very high96.3Very high47 Ų4766.1 Ų66.129%0.28834%0.339SS..EExtended strand (participates in β ladder)trans-104140.2173.9-54.20000109.7V634 I635 N636 Y663 T710V634-T661 HydrophobicContact CG1-CG2 3.6Å; I635-T661 CarbonylContact O-C 3.5Å; I635-T661 VanDerWaalsContact O-CA 3.29Å; I635-T661 WeakPolarHBondContact O-CA 3.19Å; N636-T661 WeakPolarHBondContact OD1-CB 3.11Å; N636-T661 WeakPolarHBondContact OD1-CG2 3.43Å; N636-T661 PolarHBondContact OD1-OG1 3.49Å; T661-Y663 HydrophobicContact CG2-CE1 3.88Å; T661-Y663 HydrophobicContact CG2-CE2 4.32Å; T661-T710 WeakPolarHBondContact O-CA 3.38Å
662A97.8Very high96.4Very high2 Ų267.6 Ų67.62%0.01734%0.339CS..EExtended strand (participates in β ladder)trans-133.5158.7173.700000111.3I635 Y637 H708 K709I635-A662 HydrophobicContact CB-CB 4.47Å; I635-A662 PolarHBondContact N-O 3.43Å; I635-A662 PolarHBondContact O-N 3.5Å; Y637-A662 HydrophobicContact CE2-CB 4.44Å; A662-H708 HydrophobicContact CB-CB 3.95Å; A662-K709 CarbonylContact C-O 3.15Å; A662-K709 VanDerWaalsContact CA-O 3.25Å; A662-K709 WeakPolarHBondContact CA-O 3.39Å
663Y98.2Very high96.7Very high44 Ų4464.9 Ų64.917%0.17331%0.311CS..EExtended strand (participates in β ladder)trans-126.1141.4-174.1-53.4-75.5000111.8T632 I633 V634 T661 K709 K712 Y721T632-Y663 HydrophobicContact CG2-CD1 3.8Å; T632-Y663 HydrophobicContact CG2-CG 4.38Å; I633-Y663 WeakPolarHBondContact O-CA 3.14Å; V634-Y663 HydrophobicContact CB-CD1 4.48Å; V634-Y663 HydrophobicContact CG1-CD1 4.3Å; V634-Y663 HydrophobicContact CG1-CE1 3.94Å; V634-Y663 HydrophobicContact CG2-CD1 3.99Å; V634-Y663 HydrophobicContact CG2-CE1 4.04Å; T661-Y663 HydrophobicContact CG2-CE1 3.88Å; T661-Y663 HydrophobicContact CG2-CE2 4.32Å; Y663-K709 VanDerWaalsContact CD2-O 3.3Å; Y663-K709 WeakPolarHBondContact CD2-O 3.27Å; Y663-K709 PolarHBondContact N-O 3.01Å; Y663-K712 HydrophobicContact CD1-CG 3.89Å; Y663-K712 HydrophobicContact CD2-CG 3.93Å; Y663-K712 HydrophobicContact CE1-CD 4.35Å; Y663-K712 HydrophobicContact CE1-CG 3.85Å; Y663-K712 HydrophobicContact CE2-CG 3.91Å; Y663-K712 HydrophobicContact CG-CG 3.94Å; Y663-Y721 PolarHBondContact O-OH 2.83Å
664L98.2Very high96.9Very high2 Ų261.2 Ų61.21%0.0130%0.297CS..EExtended strand (participates in β ladder)trans-134.3152.9167.6-62.1175.5000109.2T632 I633 I635 V673 L674 L677 Y726 L727T632-L664 CarbonylContact C-O 3.42Å; I633-L664 HydrophobicContact CB-CB 4.16Å; I633-L664 HydrophobicContact CD1-CB 4.48Å; I633-L664 PolarHBondContact N-O 3.16Å; I633-L664 PolarHBondContact O-N 3.4Å; I635-L664 HydrophobicContact CD1-CD1 3.96Å; I635-L664 HydrophobicContact CD1-CG 4.32Å; L664-V673 HydrophobicContact CD1-CB 4.14Å; L664-V673 HydrophobicContact CD1-CG1 3.87Å; L664-V673 HydrophobicContact CD2-CG1 3.97Å; L664-L674 HydrophobicContact CD1-CB 4.09Å; L664-L677 HydrophobicContact CD1-CD1 4Å; L664-Y726 HydrophobicContact CD2-CE1 3.73Å; L664-L727 HydrophobicContact CD2-CD2 4Å
665P97.9Very high97Very high0 Ų056.7 Ų56.70%028%0.284CS..EExtended strand (participates in β ladder)trans-71140.6171.629.2-33.8000111L624 Y627 N667 G670 L727L624-P665 HydrophobicContact CD1-CB 4.37Å; Y627-P665 HydrophobicContact CD1-CB 3.68Å; Y627-P665 HydrophobicContact CD1-CG 3.79Å; Y627-P665 HydrophobicContact CD2-CB 4.12Å; Y627-P665 HydrophobicContact CD2-CG 4.17Å; Y627-P665 HydrophobicContact CE1-CB 4.25Å; Y627-P665 HydrophobicContact CE1-CG 3.83Å; Y627-P665 HydrophobicContact CE2-CG 4.21Å; Y627-P665 HydrophobicContact CG-CB 3.6Å; Y627-P665 HydrophobicContact CG-CG 3.96Å; P665-N667 PolarHBondContact O-N 3.45Å; P665-G670 WeakPolarHBondContact O-CA 3.3Å; P665-L727 HydrophobicContact CG-CD1 3.84Å
666D97.9Very high97.1Very high41 Ų4156 Ų5622%0.21928%0.282CS..SBendtrans-79.653.3179-166.545.9000112.5V619 G631 I633 K671V619-D666 HydrophobicContact CG1-CB 4.25Å; G631-D666 PolarHBondContact O-N 3.29Å; I633-D666 HydrophobicContact CG1-CB 3.95Å; I633-D666 WeakPolarHBondContact CG1-OD1 3.12Å; D666-K671 WeakPolarHBondContact OD1-CE 3.38Å; D666-K671 IonicContact OD1-NZ 3.64Å; D666-K671 PolarHBondContact OD1-NZ 3.08Å; D666-K671 VanDerWaalsContact OD1-NZ 3.13Å; D666-K671 IonicContact OD2-NZ 2.69Å; D666-K671 PolarHBondContact OD2-NZ 3.45Å
667N96.4Very high97.2Very high40 Ų4051.5 Ų51.521%0.21425%0.251CS..SBendtrans-117.3176.817668.634.6000111.2Y627 C630 P665 E669 G670 K671Y627-N667 WeakPolarHBondContact CD1-ND2 3.45Å; C630-N667 HydrophobicContact CB-CB 4.22Å; P665-N667 PolarHBondContact O-N 3.45Å; N667-E669 PolarHBondContact O-N 3.42Å; N667-E669 WeakPolarHBondContact OD1-CA 3.28Å; N667-E669 WeakPolarHBondContact OD1-CB 3.47Å; N667-E669 PolarHBondContact OD1-N 2.88Å; N667-G670 PolarHBondContact O-N 3.29Å; N667-G670 PolarHBondContact OD1-N 2.66Å; N667-K671 WeakPolarHBondContact O-CB 3.4Å; N667-K671 WeakPolarHBondContact O-CG 3.38Å; N667-K671 PolarHBondContact O-N 3.49Å
668K97.2Very high97.3Very high197 Ų19752.7 Ų52.786%0.85725%0.246SC*.Hα-helixtrans-55.4-34.2-179.1-174.7177.7179.5-179.50112.9K672K668-K672 PolarHBondContact O-N 3.49Å
669E96.7Very high97.3Very high76 Ų7655 Ų5536%0.35525%0.252SS..Hα-helixtrans-78.5-46.1-178.7-167.1177.2-16800112.2N667 K671 K672 V673 L727 K731N667-E669 PolarHBondContact O-N 3.42Å; N667-E669 WeakPolarHBondContact OD1-CA 3.28Å; N667-E669 WeakPolarHBondContact OD1-CB 3.47Å; N667-E669 PolarHBondContact OD1-N 2.88Å; E669-K671 VanDerWaalsContact C-N 3.33Å; E669-K671 PolarHBondContact O-N 3.23Å; E669-K672 PolarHBondContact O-N 3.42Å; E669-K672 VanDerWaalsContact O-N 3.12Å; E669-V673 PolarHBondContact O-N 2.99Å; E669-L727 HydrophobicContact CB-CD1 4.05Å; E669-L727 HydrophobicContact CG-CB 4.21Å; E669-L727 HydrophobicContact CG-CD1 3.83Å; E669-K731 VanDerWaalsContact CG-NZ 3.26Å; E669-K731 IonicContact OE1-NZ 2.63Å; E669-K731 PolarHBondContact OE1-NZ 2.77Å
670G97.3Very high97.3Very high0 Ų047.6 Ų47.60%022%0.218CC..Hα-helixtrans-62.6-37.7175.700000112.6P665 N667 K672 V673 L674P665-G670 WeakPolarHBondContact O-CA 3.3Å; N667-G670 PolarHBondContact O-N 3.29Å; N667-G670 PolarHBondContact OD1-N 2.66Å; G670-K672 VanDerWaalsContact C-N 3.34Å; G670-K672 PolarHBondContact O-N 3.07Å; G670-V673 PolarHBondContact O-N 2.93Å; G670-L674 WeakPolarHBondContact O-CB 3.15Å; G670-L674 PolarHBondContact O-N 2.81Å
671K97.6Very high97.3Very high94 Ų9445.1 Ų45.141%0.40921%0.209SC..Hα-helixtrans-60.8-40.7170.9-72.3177.4-173.1-179.70112.2I633 D666 N667 E669 L674 E675I633-K671 HydrophobicContact CD1-CG 3.98Å; D666-K671 WeakPolarHBondContact OD1-CE 3.38Å; D666-K671 IonicContact OD1-NZ 3.64Å; D666-K671 PolarHBondContact OD1-NZ 3.08Å; D666-K671 VanDerWaalsContact OD1-NZ 3.13Å; D666-K671 IonicContact OD2-NZ 2.69Å; D666-K671 PolarHBondContact OD2-NZ 3.45Å; N667-K671 WeakPolarHBondContact O-CB 3.4Å; N667-K671 WeakPolarHBondContact O-CG 3.38Å; N667-K671 PolarHBondContact O-N 3.49Å; E669-K671 VanDerWaalsContact C-N 3.33Å; E669-K671 PolarHBondContact O-N 3.23Å; K671-L674 WeakPolarHBondContact O-CB 3.4Å; K671-L674 PolarHBondContact O-N 3.4Å; K671-E675 PolarHBondContact O-N 3.37Å
672K97.5Very high97.2Very high92 Ų9248.2 Ų48.240%0.422%0.224SC..Hα-helixtrans-67.2-38.1176-170.667.8-156.2164.10112.3K668 E669 G670 L674 E675 L676K668-K672 PolarHBondContact O-N 3.49Å; E669-K672 PolarHBondContact O-N 3.42Å; E669-K672 VanDerWaalsContact O-N 3.12Å; G670-K672 VanDerWaalsContact C-N 3.34Å; G670-K672 PolarHBondContact O-N 3.07Å; K672-L674 VanDerWaalsContact C-N 3.34Å; K672-E675 WeakPolarHBondContact CD-OE2 3.34Å; K672-E675 WeakPolarHBondContact CE-OE2 3.33Å; K672-E675 IonicContact NZ-OE2 3.71Å; K672-E675 PolarHBondContact NZ-OE2 3.32Å; K672-L676 WeakPolarHBondContact O-CG 3.37Å; K672-L676 PolarHBondContact O-N 3.41Å
673V98Very high97Very high0 Ų049.5 Ų49.50%023%0.23CC..Hα-helixtrans-63.9-40.5172174.20000111L664 E669 G670 E675 L676 L677 L727 V730 K731L664-V673 HydrophobicContact CD1-CB 4.14Å; L664-V673 HydrophobicContact CD1-CG1 3.87Å; L664-V673 HydrophobicContact CD2-CG1 3.97Å; E669-V673 PolarHBondContact O-N 2.99Å; G670-V673 PolarHBondContact O-N 2.93Å; V673-E675 PolarHBondContact O-N 2.82Å; V673-L676 PolarHBondContact O-N 3.14Å; V673-L677 HydrophobicContact CG1-CD1 4.02Å; V673-L677 HydrophobicContact CG1-CG 4.18Å; V673-L677 WeakPolarHBondContact O-CG 3.45Å; V673-L677 PolarHBondContact O-N 3.23Å; V673-L727 HydrophobicContact CG2-CD2 4.17Å; V673-V730 HydrophobicContact CG1-CG1 3.68Å; V673-V730 HydrophobicContact CG2-CG1 4.01Å; V673-K731 HydrophobicContact CG2-CD 4.4Å; V673-K731 HydrophobicContact CG2-CG 3.94Å
674L98.1Very high96.9Very high26 Ų2648.7 Ų48.714%0.13623%0.227CC..Hα-helixtrans-59.6-45.2177.1179.769.1000112.7M615 V617 I633 I635 L664 G670 K671 K672 L676 L677 H678M615-L674 HydrophobicContact CE-CD1 3.98Å; V617-L674 HydrophobicContact CG1-CD1 4.17Å; V617-L674 HydrophobicContact CG1-CD2 3.95Å; V617-L674 HydrophobicContact CG2-CD1 3.87Å; I633-L674 HydrophobicContact CD1-CD2 4.33Å; I633-L674 HydrophobicContact CG2-CD1 4.19Å; I633-L674 HydrophobicContact CG2-CD2 4.06Å; I635-L674 HydrophobicContact CD1-CD1 3.6Å; I635-L674 HydrophobicContact CG1-CD1 3.89Å; L664-L674 HydrophobicContact CD1-CB 4.09Å; G670-L674 WeakPolarHBondContact O-CB 3.15Å; G670-L674 PolarHBondContact O-N 2.81Å; K671-L674 WeakPolarHBondContact O-CB 3.4Å; K671-L674 PolarHBondContact O-N 3.4Å; K672-L674 VanDerWaalsContact C-N 3.34Å; L674-L676 VanDerWaalsContact C-N 3.28Å; L674-L676 PolarHBondContact O-N 3.17Å; L674-L677 PolarHBondContact O-N 3.46Å; L674-H678 PolarHBondContact O-CD2 2.86Å; L674-H678 PolarHBondContact O-N 2.97Å
675E97.8Very high96.7Very high107 Ų10748.6 Ų48.650%0.523%0.226SC..Hα-helixtrans-55.6-44174.7-71.6171-161.400111.9K671 K672 V673 H678 K679K671-E675 PolarHBondContact O-N 3.37Å; K672-E675 WeakPolarHBondContact CD-OE2 3.34Å; K672-E675 WeakPolarHBondContact CE-OE2 3.33Å; K672-E675 IonicContact NZ-OE2 3.71Å; K672-E675 PolarHBondContact NZ-OE2 3.32Å; V673-E675 PolarHBondContact O-N 2.82Å; E675-H678 PolarHBondContact O-N 3.24Å; E675-K679 PolarHBondContact O-N 3.39Å; E675-K679 VanDerWaalsContact O-N 3.1Å
676L97.4Very high96.6Very high12 Ų1248.6 Ų48.66%0.06323%0.226CC..Hα-helixtrans-69.4-38.4178.9-61.8171.2000111.7K672 V673 L674 K679 A680 K731 L734 I739 E740K672-L676 WeakPolarHBondContact O-CG 3.37Å; K672-L676 PolarHBondContact O-N 3.41Å; V673-L676 PolarHBondContact O-N 3.14Å; L674-L676 VanDerWaalsContact C-N 3.28Å; L674-L676 PolarHBondContact O-N 3.17Å; L676-K679 PolarHBondContact O-N 3.26Å; L676-A680 WeakPolarHBondContact O-CB 3.32Å; L676-A680 PolarHBondContact O-N 2.97Å; L676-K731 HydrophobicContact CD1-CG 4.38Å; L676-L734 HydrophobicContact CB-CD1 3.74Å; L676-L734 HydrophobicContact CB-CD2 4.45Å; L676-L734 HydrophobicContact CD1-CD1 4.4Å; L676-I739 HydrophobicContact CB-CG2 4.07Å; L676-I739 HydrophobicContact CD2-CG2 4.02Å; L676-I739 WeakPolarHBondContact O-CG2 3.21Å; L676-E740 VanDerWaalsContact CD2-C 3.49Å; L676-E740 WeakPolarHBondContact CD2-OXT 3.5Å
677L97.9Very high96.6Very high0 Ų046.7 Ų46.70%022%0.216CC..Hα-helixtrans-64.7-39.2175.1-71176.4000112.3M615 I635 L664 V673 L674 A680 F681 I686 I706 L734M615-L677 HydrophobicContact CE-CB 4.05Å; I635-L677 HydrophobicContact CD1-CD1 3.75Å; L664-L677 HydrophobicContact CD1-CD1 4Å; V673-L677 HydrophobicContact CG1-CD1 4.02Å; V673-L677 HydrophobicContact CG1-CG 4.18Å; V673-L677 WeakPolarHBondContact O-CG 3.45Å; V673-L677 PolarHBondContact O-N 3.23Å; L674-L677 PolarHBondContact O-N 3.46Å; L677-A680 PolarHBondContact O-N 2.9Å; L677-F681 WeakPolarHBondContact O-CB 3.25Å; L677-F681 PolarHBondContact O-N 3.31Å; L677-I686 HydrophobicContact CD2-CD1 3.7Å; L677-I706 HydrophobicContact CD2-CG2 3.85Å; L677-L734 HydrophobicContact CD2-CD1 4.09Å; L677-L734 HydrophobicContact CD2-CD2 4.26Å; L677-L734 HydrophobicContact CG-CD1 4.4Å
678H97.1Very high96.5Very high65 Ų6546 Ų4630%0.30121%0.213SC..Hα-helixtrans-59.3-51.9170.9-87.2-68.2000111.2V617 L674 E675 A680 F681 D682V617-H678 WeakPolarHBondContact CG2-NE2 3.06Å; L674-H678 PolarHBondContact O-CD2 2.86Å; L674-H678 PolarHBondContact O-N 2.97Å; E675-H678 PolarHBondContact O-N 3.24Å; H678-A680 VanDerWaalsContact C-N 3.25Å; H678-A680 PolarHBondContact O-N 3.38Å; H678-F681 WeakPolarHBondContact O-CB 3.39Å; H678-F681 PolarHBondContact O-N 3.4Å; H678-D682 PolarHBondContact O-N 3.14Å
679K95.4Very high96.5Very high86 Ų8636.7 Ų36.737%0.37417%0.173SC..Hα-helixtrans-57.8-36.6178.2-177.1176.5168.3179.80112.6E675 L676 Q683 I739 E740E675-K679 PolarHBondContact O-N 3.39Å; E675-K679 VanDerWaalsContact O-N 3.1Å; L676-K679 PolarHBondContact O-N 3.26Å; K679-Q683 WeakPolarHBondContact O-CB 3.44Å; K679-Q683 VanDerWaalsContact O-CG 3.26Å; K679-Q683 WeakPolarHBondContact O-CG 3.48Å; K679-Q683 PolarHBondContact O-N 3.14Å; K679-I739 HydrophobicContact CB-CG2 4.22Å; K679-I739 HydrophobicContact CD-CG2 4.08Å; K679-I739 HydrophobicContact CG-CD1 4.27Å; K679-I739 HydrophobicContact CG-CG2 4.14Å; K679-E740 PolarHBondContact NZ-O 3.18Å
680A95.9Very high96.3Very high0 Ų033.6 Ų33.60%016%0.161CC..Hα-helixtrans-72.1-37.417400000112.9L676 L677 H678 Q683 K684 L685 I686 I706 L734 I739L676-A680 WeakPolarHBondContact O-CB 3.32Å; L676-A680 PolarHBondContact O-N 2.97Å; L677-A680 PolarHBondContact O-N 2.9Å; H678-A680 VanDerWaalsContact C-N 3.25Å; H678-A680 PolarHBondContact O-N 3.38Å; A680-Q683 CarbonylContact O-C 3.3Å; A680-Q683 PolarHBondContact O-N 3.25Å; A680-K684 PolarHBondContact O-N 3.27Å; A680-K684 VanDerWaalsContact O-N 3.16Å; A680-L685 HydrophobicContact CB-CB 4.4Å; A680-L685 WeakPolarHBondContact O-CB 3.44Å; A680-L685 PolarHBondContact O-N 2.93Å; A680-I686 HydrophobicContact CB-CD1 3.76Å; A680-I686 HydrophobicContact CB-CG1 4.19Å; A680-I706 HydrophobicContact CB-CD1 4.22Å; A680-L734 HydrophobicContact CB-CD2 3.61Å; A680-I739 HydrophobicContact CB-CG1 4.04Å; A680-I739 HydrophobicContact CB-CG2 4.45Å
681F96.4Very high95.8Very high16 Ų1640.3 Ų40.37%0.0719%0.188CC..Hα-helixtrans-66.3-44.5176.7-173.2-91.9000111.6Q610 M615 Y637 M639 L677 H678 Q683 K684 I686 F687Q610-F681 PolarHBondContact NE2-O 3.13Å; M615-F681 HydrophobicContact CB-CD1 3.82Å; M615-F681 HydrophobicContact CB-CD2 4.02Å; M615-F681 HydrophobicContact CB-CE1 3.81Å; M615-F681 HydrophobicContact CB-CE2 4.01Å; M615-F681 HydrophobicContact CB-CG 3.94Å; M615-F681 HydrophobicContact CB-CZ 3.91Å; M615-F681 HydrophobicContact SD-CB 3.74Å; M615-F681 HydrophobicContact SD-CD1 4.41Å; M615-F681 HydrophobicContact SD-CD2 4.31Å; M615-F681 HydrophobicContact SD-CG 3.9Å; Y637-F681 AromaticContact CD1-CD2 3.82Å; Y637-F681 HydrophobicContact CD1-CD2 3.82Å; Y637-F681 AromaticContact CD1-CE2 3.67Å; Y637-F681 HydrophobicContact CD1-CE2 3.67Å; Y637-F681 AromaticContact CE1-CD2 3.66Å; Y637-F681 HydrophobicContact CE1-CD2 3.66Å; Y637-F681 HydrophobicContact CE1-CE2 4.02Å; Y637-F681 HydrophobicContact CE1-CG 4.5Å; M639-F681 HydrophobicContact CE-CE2 4.34Å; M639-F681 HydrophobicContact SD-CE2 3.88Å; M639-F681 HydrophobicContact SD-CZ 4.17Å; L677-F681 WeakPolarHBondContact O-CB 3.25Å; L677-F681 PolarHBondContact O-N 3.31Å; H678-F681 WeakPolarHBondContact O-CB 3.39Å; H678-F681 PolarHBondContact O-N 3.4Å; F681-Q683 VanDerWaalsContact C-N 3.29Å; F681-Q683 PolarHBondContact O-N 3.23Å; F681-K684 WeakPolarHBondContact O-CA 3.21Å; F681-K684 PolarHBondContact O-N 2.83Å; F681-I686 HydrophobicContact CB-CG1 3.9Å; F681-I686 HydrophobicContact CD2-CB 4.33Å; F681-I686 HydrophobicContact CD2-CG1 4.17Å; F681-F687 HydrophobicContact CE2-CD2 4.49Å; F681-F687 HydrophobicContact CE2-CE2 4.38Å
682D94.6Very high95.1Very high113 Ų11336.5 Ų36.560%0.60417%0.173SC*.Hα-helixtrans-63.3-36.6176-64.7-22.7000111.6H678 K684H678-D682 PolarHBondContact O-N 3.14Å; D682-K684 PolarHBondContact O-N 2.83Å
683Q93.7Very high94.1Very high29 Ų2943.4 Ų43.414%0.13620%0.197CC..THydrogen-bonded Turntrans-78.15.5172-70.4-179.152.500114V605 K607 G608 K679 A680 F681 L685 I739V605-Q683 HydrophobicContact CG1-CG 3.7Å; K607-Q683 CarbonylContact C-O 3.54Å; K607-Q683 VanDerWaalsContact CA-O 3.29Å; K607-Q683 WeakPolarHBondContact CA-O 3.49Å; G608-Q683 PolarHBondContact N-O 2.93Å; K679-Q683 WeakPolarHBondContact O-CB 3.44Å; K679-Q683 VanDerWaalsContact O-CG 3.26Å; K679-Q683 WeakPolarHBondContact O-CG 3.48Å; K679-Q683 PolarHBondContact O-N 3.14Å; A680-Q683 CarbonylContact O-C 3.3Å; A680-Q683 PolarHBondContact O-N 3.25Å; F681-Q683 VanDerWaalsContact C-N 3.29Å; F681-Q683 PolarHBondContact O-N 3.23Å; Q683-L685 HydrophobicContact CB-CD1 3.86Å; Q683-L685 HydrophobicContact CB-CG 4.09Å; Q683-L685 PolarHBondContact O-N 3.35Å; Q683-I739 VanDerWaalsContact CD-CD1 3.46Å; Q683-I739 HydrophobicContact CG-CD1 4.49Å
684K95.1Very high92.9Very high26 Ų2649.1 Ų49.111%0.11323%0.231CC..THydrogen-bonded Turntrans63.735.2175.5-58.2-61.7-163.9169.10114.1K607 G608 Q610 E612 A680 F681 D682K607-K684 HydrophobicContact CG-CB 4.2Å; K607-K684 HydrophobicContact CG-CG 4.2Å; G608-K684 CarbonylContact C-O 3.56Å; G608-K684 VanDerWaalsContact C-O 3.27Å; G608-K684 WeakPolarHBondContact CA-O 3.39Å; G608-K684 WeakPolarHBondContact O-CB 3.42Å; Q610-K684 VanDerWaalsContact CB-C 3.45Å; Q610-K684 HydrophobicContact CB-CB 3.79Å; Q610-K684 HydrophobicContact CB-CD 4.18Å; Q610-K684 WeakPolarHBondContact CB-O 3.32Å; Q610-K684 HydrophobicContact CG-CD 4.16Å; Q610-K684 PolarHBondContact N-O 3.26Å; E612-K684 WeakPolarHBondContact OE1-CE 3.15Å; E612-K684 IonicContact OE1-NZ 3.62Å; E612-K684 PolarHBondContact OE1-NZ 2.84Å; E612-K684 IonicContact OE2-NZ 2.64Å; E612-K684 PolarHBondContact OE2-NZ 3Å; A680-K684 PolarHBondContact O-N 3.27Å; A680-K684 VanDerWaalsContact O-N 3.16Å; F681-K684 WeakPolarHBondContact O-CA 3.21Å; F681-K684 PolarHBondContact O-N 2.83Å; D682-K684 PolarHBondContact O-N 2.83Å
685L94.3Very high91.8Very high1 Ų151.8 Ų51.81%0.00525%0.252CS..  trans-109.2-7.9-173.6-61.8169.9000115.5A680 Q683 N704 K737 I739A680-L685 HydrophobicContact CB-CB 4.4Å; A680-L685 WeakPolarHBondContact O-CB 3.44Å; A680-L685 PolarHBondContact O-N 2.93Å; Q683-L685 HydrophobicContact CB-CD1 3.86Å; Q683-L685 HydrophobicContact CB-CG 4.09Å; Q683-L685 PolarHBondContact O-N 3.35Å; L685-N704 WeakPolarHBondContact O-CB 3.41Å; L685-K737 HydrophobicContact CD1-CB 4.39Å; L685-I739 HydrophobicContact CD1-CD1 3.77Å; L685-I739 HydrophobicContact CD1-CG1 3.88Å
686I97Very high90.9Very high0 Ų048.8 Ų48.80%025%0.249CC..SBendtrans-77.7-38.5-176.8-60.8-71000111.5Y637 L677 A680 F681 W703 N704 I706Y637-I686 HydrophobicContact CE1-CG2 4.28Å; L677-I686 HydrophobicContact CD2-CD1 3.7Å; A680-I686 HydrophobicContact CB-CD1 3.76Å; A680-I686 HydrophobicContact CB-CG1 4.19Å; F681-I686 HydrophobicContact CB-CG1 3.9Å; F681-I686 HydrophobicContact CD2-CB 4.33Å; F681-I686 HydrophobicContact CD2-CG1 4.17Å; I686-W703 HydrophobicContact CG2-CE3 3.9Å; I686-W703 HydrophobicContact CG2-CZ3 3.71Å; I686-N704 PolarHBondContact O-N 3.24Å; I686-I706 HydrophobicContact CD1-CD1 4.01Å; I686-I706 HydrophobicContact CD1-CG2 4.41Å
687F96.6Very high90Very high0 Ų049.9 Ų49.90%026%0.26CS..EExtended strand (participates in β ladder)trans-120.1169-178.9-61.5-71.7000112.9Q610 Y637 M639 F681 I701 T702 W703 N704Q610-F687 WeakPolarHBondContact CA-O 3.47Å; Q610-F687 HydrophobicContact CB-CB 4.34Å; Q610-F687 WeakPolarHBondContact CB-O 3.19Å; Q610-F687 HydrophobicContact CG-CB 4.01Å; Q610-F687 HydrophobicContact CG-CD2 4.46Å; Q610-F687 VanDerWaalsContact OE1-N 3.11Å; Y637-F687 AromaticContact CD1-CE2 3.76Å; Y637-F687 HydrophobicContact CD1-CE2 3.76Å; Y637-F687 HydrophobicContact CD1-CZ 4.27Å; Y637-F687 HydrophobicContact CD2-CE2 4.18Å; Y637-F687 AromaticContact CD2-CZ 3.84Å; Y637-F687 HydrophobicContact CD2-CZ 3.84Å; Y637-F687 HydrophobicContact CE1-CE2 4.34Å; Y637-F687 HydrophobicContact CE2-CZ 4.42Å; Y637-F687 AromaticContact CG-CE2 3.65Å; Y637-F687 HydrophobicContact CG-CE2 3.65Å; Y637-F687 AromaticContact CG-CZ 3.72Å; Y637-F687 HydrophobicContact CG-CZ 3.72Å; M639-F687 HydrophobicContact CE-CD2 3.78Å; M639-F687 HydrophobicContact CE-CE2 4.44Å; M639-F687 HydrophobicContact CE-CG 4.47Å; M639-F687 HydrophobicContact CG-CD2 3.93Å; M639-F687 HydrophobicContact CG-CE2 3.92Å; M639-F687 HydrophobicContact CG-CG 4.46Å; M639-F687 HydrophobicContact CG-CZ 4.45Å; M639-F687 HydrophobicContact SD-CD2 3.65Å; M639-F687 HydrophobicContact SD-CE2 3.7Å; F681-F687 HydrophobicContact CE2-CD2 4.49Å; F681-F687 HydrophobicContact CE2-CE2 4.38Å; F687-I701 HydrophobicContact CB-CG2 3.94Å; F687-I701 HydrophobicContact CD1-CG2 4.07Å; F687-I701 HydrophobicContact CG-CG2 4.1Å; F687-T702 CarbonylContact C-O 3.53Å; F687-T702 VanDerWaalsContact CA-O 3.25Å; F687-T702 WeakPolarHBondContact CA-O 3.4Å; F687-T702 WeakPolarHBondContact CD1-O 3.32Å; F687-W703 HydrophobicContact CD1-CD2 4.4Å; F687-W703 AromaticContact CD1-CE3 3.95Å; F687-W703 HydrophobicContact CD1-CE3 3.95Å; F687-W703 HydrophobicContact CD1-CZ3 4.35Å; F687-W703 AromaticContact CE1-CD2 3.77Å; F687-W703 HydrophobicContact CE1-CD2 3.77Å; F687-W703 AromaticContact CE1-CE3 3.26Å; F687-W703 HydrophobicContact CE1-CE3 3.26Å; F687-W703 AromaticContact CE1-CH2 3.87Å; F687-W703 HydrophobicContact CE1-CH2 3.87Å; F687-W703 HydrophobicContact CE1-CZ2 4.31Å; F687-W703 AromaticContact CE1-CZ3 3.32Å; F687-W703 HydrophobicContact CE1-CZ3 3.32Å; F687-W703 HydrophobicContact CE2-CZ3 4.3Å; F687-W703 AromaticContact CZ-CE3 3.76Å; F687-W703 HydrophobicContact CZ-CE3 3.76Å; F687-W703 AromaticContact CZ-CH2 3.77Å; F687-W703 HydrophobicContact CZ-CH2 3.77Å; F687-W703 AromaticContact CZ-CZ3 3.3Å; F687-W703 HydrophobicContact CZ-CZ3 3.3Å; F687-N704 PolarHBondContact O-ND2 2.73Å
688T95.6Very high89.7Confident26 Ų2653.1 Ų53.116%0.1628%0.283CS..EExtended strand (participates in β ladder)trans-153.2172.7167.9-1680000108.7N609 I701 T702 N704N609-T688 VanDerWaalsContact CG-OG1 3.27Å; N609-T688 PolarHBondContact ND2-OG1 3.43Å; N609-T688 VanDerWaalsContact ND2-OG1 3.15Å; N609-T688 WeakPolarHBondContact OD1-CB 3.25Å; N609-T688 PolarHBondContact OD1-OG1 2.87Å; T688-I701 WeakPolarHBondContact O-CA 3.42Å; T688-T702 PolarHBondContact N-O 3.32Å; T688-T702 PolarHBondContact O-N 2.9Å; T688-N704 HydrophobicContact CG2-CB 4.21Å
689V95.9Very high89.5Confident1 Ų151 Ų511%0.00627%0.274CS..EExtended strand (participates in β ladder)trans-103.4130.4166.5-174.30000109.4P611 Q644 H648 P649 Y655 V700 I701P611-V689 HydrophobicContact CG-CG2 3.52Å; Q644-V689 HydrophobicContact CG-CG1 4.05Å; H648-V689 VanDerWaalsContact CD2-CB 3.42Å; H648-V689 WeakPolarHBondContact CD2-CB 3.36Å; P649-V689 WeakPolarHBondContact CD-O 3.35Å; P649-V689 WeakPolarHBondContact CG-O 3.48Å; Y655-V689 HydrophobicContact CD1-CG1 4.09Å; Y655-V689 HydrophobicContact CD1-CG2 3.82Å; Y655-V689 HydrophobicContact CD2-CG2 4.02Å; Y655-V689 HydrophobicContact CE1-CG2 3.87Å; Y655-V689 HydrophobicContact CE2-CG2 4.11Å; Y655-V689 HydrophobicContact CG-CG1 4.05Å; Y655-V689 HydrophobicContact CG-CG2 3.87Å; V689-V700 WeakPolarHBondContact CA-O 3.15Å; V689-I701 HydrophobicContact CG2-CG1 4.32Å
690G92.2Very high89.4Confident11 Ų1148.9 Ų48.911%0.11327%0.268CS..EExtended strand (participates in β ladder)trans179.2-145-178.600000113.6S698 D699 V700G690-S698 CarbonylContact O-C 3.56Å; G690-D699 PolarHBondContact O-N 3.04Å; G690-V700 PolarHBondContact N-O 3.49Å; G690-V700 PolarHBondContact O-N 2.99Å
691Y87.6Confident89.4Confident142 Ų14249 Ų4956%0.55727%0.269SS*.  trans-92.9118-176.8179.3-99.1000112.1R693 G696Y691-R693 HydrophobicContact CD1-CG 4.4Å; Y691-R693 HydrophobicContact CE1-CG 4.43Å; Y691-R693 PolarHBondContact O-N 2.82Å; Y691-G696 VanDerWaalsContact CE2-O 3.3Å; Y691-G696 WeakPolarHBondContact CE2-O 3.48Å
692S83.1Confident89.3Confident14 Ų1449.1 Ų49.110%0.09827%0.271CS..  trans-78.8103.3174.9173.90000110.9V694 S695 G696 A697S692-V694 PolarHBondContact O-N 3.35Å; S692-V694 VanDerWaalsContact O-N 3.14Å; S692-S695 VanDerWaalsContact CB-OG 3.23Å; S692-S695 WeakPolarHBondContact CB-OG 2.98Å; S692-S695 PolarHBondContact O-N 3.26Å; S692-S695 PolarHBondContact OG-N 3.27Å; S692-S695 PolarHBondContact OG-OG 3.48Å; S692-G696 WeakPolarHBondContact O-CA 3.37Å; S692-G696 PolarHBondContact O-N 3.09Å; S692-A697 PolarHBondContact N-O 3.34Å
693R76Confident89.3Confident237 Ų23746.6 Ų46.689%0.89425%0.253SS*.THydrogen-bonded Turntrans-54.3-29.5174.7-72.8-179167.3-176.6-6114.2Y691Y691-R693 HydrophobicContact CD1-CG 4.4Å; Y691-R693 HydrophobicContact CE1-CG 4.43Å; Y691-R693 PolarHBondContact O-N 2.82Å
694V73.7Confident89.2Confident120 Ų12046.4 Ų46.473%0.72725%0.252SS*.THydrogen-bonded Turntrans-82.7-35.1-176.5-1790000112.4S692S692-V694 PolarHBondContact O-N 3.35Å; S692-V694 VanDerWaalsContact O-N 3.14Å
695S73.8Confident88.9Confident82 Ų8250.3 Ų50.357%0.57328%0.275SS*.THydrogen-bonded Turntrans-110.5-2.2-175.366.70000114.2S692 A697S692-S695 VanDerWaalsContact CB-OG 3.23Å; S692-S695 WeakPolarHBondContact CB-OG 2.98Å; S692-S695 PolarHBondContact O-N 3.26Å; S692-S695 PolarHBondContact OG-N 3.27Å; S692-S695 PolarHBondContact OG-OG 3.48Å; S695-A697 PolarHBondContact O-N 2.84Å; S695-A697 VanDerWaalsContact O-N 3.16Å
696G79.5Confident88.9Confident43 Ų4350.3 Ų50.344%0.44328%0.275SS..  trans66.38.8-176.800000115.1Y691 S692Y691-G696 VanDerWaalsContact CE2-O 3.3Å; Y691-G696 WeakPolarHBondContact CE2-O 3.48Å; S692-G696 WeakPolarHBondContact O-CA 3.37Å; S692-G696 PolarHBondContact O-N 3.09Å
697A79.8Confident88.7Confident35 Ų3555.4 Ų55.429%0.28930%0.298SS..  trans-93.4132.1-173.200000111.8S692 S695 V700S692-A697 PolarHBondContact N-O 3.34Å; S695-A697 PolarHBondContact O-N 2.84Å; S695-A697 VanDerWaalsContact O-N 3.16Å; A697-V700 HydrophobicContact CB-CG1 4.22Å; A697-V700 HydrophobicContact CB-CG2 4.26Å; A697-V700 WeakPolarHBondContact O-CG2 3.36Å
698S90.7Very high88.7Confident69 Ų6955.9 Ų55.948%0.48330%0.3SS..SBendtrans-84.6165.5166.9-61.20000111.5G690 V700G690-S698 CarbonylContact O-C 3.56Å; S698-V700 VanDerWaalsContact C-N 3.31Å; S698-V700 PolarHBondContact O-N 3.03Å
699D92.5Very high88.8Confident19 Ų1955 Ų5510%0.10230%0.295CS..SBendtrans62.735.1171.6-48.3-69.6000113.8Q644 N650 K653 Y655 G690Q644-D699 PolarHBondContact NE2-OD1 3.36Å; N650-D699 PolarHBondContact ND2-OD1 3.01Å; K653-D699 HydrophobicContact CD-CB 4.4Å; K653-D699 VanDerWaalsContact CE-OD2 3.25Å; K653-D699 WeakPolarHBondContact CE-OD2 3.36Å; K653-D699 IonicContact NZ-OD1 2.63Å; K653-D699 IonicContact NZ-OD2 2.62Å; K653-D699 PolarHBondContact NZ-OD2 3.13Å; Y655-D699 WeakPolarHBondContact CA-O 3.39Å; Y655-D699 WeakPolarHBondContact CB-O 3.43Å; G690-D699 PolarHBondContact O-N 3.04Å
700V94.1Very high88.7Confident42 Ų4257.6 Ų57.626%0.25531%0.31SS..EExtended strand (participates in β ladder)trans-125.5157.7179.9-66.40000111.6V689 G690 A697 S698 T702V689-V700 WeakPolarHBondContact CA-O 3.15Å; G690-V700 PolarHBondContact N-O 3.49Å; G690-V700 PolarHBondContact O-N 2.99Å; A697-V700 HydrophobicContact CB-CG1 4.22Å; A697-V700 HydrophobicContact CB-CG2 4.26Å; A697-V700 WeakPolarHBondContact O-CG2 3.36Å; S698-V700 VanDerWaalsContact C-N 3.31Å; S698-V700 PolarHBondContact O-N 3.03Å; V700-T702 HydrophobicContact CG2-CG2 4.11Å; V700-T702 PolarHBondContact O-N 3.46Å
701I95.1Very high88.9Confident4 Ų458.7 Ų58.72%0.02132%0.316CS..EExtended strand (participates in β ladder)trans-75.1115.3178.5-53.1-179.9000110.2P611 M639 K640 Y655 T658 R660 F687 T688 V689P611-I701 HydrophobicContact CB-CD1 4.24Å; P611-I701 HydrophobicContact CG-CD1 4.18Å; P611-I701 HydrophobicContact CG-CG1 4.22Å; M639-I701 HydrophobicContact CB-CD1 3.71Å; M639-I701 HydrophobicContact CB-CG2 4.39Å; M639-I701 HydrophobicContact CG-CG2 4.39Å; K640-I701 WeakPolarHBondContact O-CD1 3.49Å; Y655-I701 HydrophobicContact CD2-CD1 3.87Å; Y655-I701 HydrophobicContact CD2-CG1 3.74Å; Y655-I701 HydrophobicContact CE2-CD1 3.91Å; Y655-I701 HydrophobicContact CE2-CG1 4.13Å; T658-I701 HydrophobicContact CG2-CB 3.77Å; T658-I701 HydrophobicContact CG2-CD1 4.3Å; T658-I701 HydrophobicContact CG2-CG2 3.89Å; R660-I701 PolarHBondContact NH2-O 2.87Å; F687-I701 HydrophobicContact CB-CG2 3.94Å; F687-I701 HydrophobicContact CD1-CG2 4.07Å; F687-I701 HydrophobicContact CG-CG2 4.1Å; T688-I701 WeakPolarHBondContact O-CA 3.42Å; V689-I701 HydrophobicContact CG2-CG1 4.32Å
702T94.5Very high89.2Confident17 Ų1754 Ų5410%0.10430%0.299CS..EExtended strand (participates in β ladder)trans-118.9159-178.359.90000111.5F687 T688 V700F687-T702 CarbonylContact C-O 3.53Å; F687-T702 VanDerWaalsContact CA-O 3.25Å; F687-T702 WeakPolarHBondContact CA-O 3.4Å; F687-T702 WeakPolarHBondContact CD1-O 3.32Å; T688-T702 PolarHBondContact N-O 3.32Å; T688-T702 PolarHBondContact O-N 2.9Å; V700-T702 HydrophobicContact CG2-CG2 4.11Å; V700-T702 PolarHBondContact O-N 3.46Å
703W93.8Very high89.6Confident61 Ų6159.4 Ų59.423%0.23132%0.321CS..EExtended strand (participates in β ladder)trans-60.1149.9166.5-57.2112.3000110.7Y637 R660 I686 F687 H708 T710Y637-W703 AromaticContact CD2-CH2 3.84Å; Y637-W703 HydrophobicContact CD2-CH2 3.84Å; Y637-W703 HydrophobicContact CD2-CZ3 4.11Å; Y637-W703 AromaticContact CE2-CH2 3.81Å; Y637-W703 HydrophobicContact CE2-CH2 3.81Å; Y637-W703 AromaticContact CE2-CZ3 3.85Å; Y637-W703 HydrophobicContact CE2-CZ3 3.85Å; R660-W703 HydrophobicContact CB-CH2 4.16Å; R660-W703 HydrophobicContact CB-CZ2 4.01Å; R660-W703 VanDerWaalsContact CD-CZ2 3.49Å; R660-W703 HydrophobicContact CG-CZ2 4.36Å; I686-W703 HydrophobicContact CG2-CE3 3.9Å; I686-W703 HydrophobicContact CG2-CZ3 3.71Å; F687-W703 HydrophobicContact CD1-CD2 4.4Å; F687-W703 AromaticContact CD1-CE3 3.95Å; F687-W703 HydrophobicContact CD1-CE3 3.95Å; F687-W703 HydrophobicContact CD1-CZ3 4.35Å; F687-W703 AromaticContact CE1-CD2 3.77Å; F687-W703 HydrophobicContact CE1-CD2 3.77Å; F687-W703 AromaticContact CE1-CE3 3.26Å; F687-W703 HydrophobicContact CE1-CE3 3.26Å; F687-W703 AromaticContact CE1-CH2 3.87Å; F687-W703 HydrophobicContact CE1-CH2 3.87Å; F687-W703 HydrophobicContact CE1-CZ2 4.31Å; F687-W703 AromaticContact CE1-CZ3 3.32Å; F687-W703 HydrophobicContact CE1-CZ3 3.32Å; F687-W703 HydrophobicContact CE2-CZ3 4.3Å; F687-W703 AromaticContact CZ-CE3 3.76Å; F687-W703 HydrophobicContact CZ-CE3 3.76Å; F687-W703 AromaticContact CZ-CH2 3.77Å; F687-W703 HydrophobicContact CZ-CH2 3.77Å; F687-W703 AromaticContact CZ-CZ3 3.3Å; F687-W703 HydrophobicContact CZ-CZ3 3.3Å; W703-H708 HydrophobicContact CE3-CB 4.35Å; W703-H708 AromaticContact CE3-CG 3.94Å; W703-H708 AromaticContact CE3-ND1 3.52Å; W703-H708 HydrophobicContact CH2-CB 3.62Å; W703-H708 AromaticContact CH2-CD2 3.85Å; W703-H708 AromaticContact CH2-CG 3.53Å; W703-H708 AromaticContact CH2-ND1 3.99Å; W703-H708 HydrophobicContact CZ2-CB 3.77Å; W703-H708 HydrophobicContact CZ3-CB 3.92Å; W703-H708 AromaticContact CZ3-CD2 3.74Å; W703-H708 AromaticContact CZ3-CE1 3.66Å; W703-H708 AromaticContact CZ3-CG 3.38Å; W703-H708 AromaticContact CZ3-ND1 3.34Å; W703-H708 VanDerWaalsContact CZ3-ND1 3.34Å; W703-H708 WeakPolarHBondContact CZ3-ND1 3.49Å; W703-H708 AromaticContact CZ3-NE2 3.89Å; W703-T710 HydrophobicContact CZ2-CG2 3.72Å
704N92.6Very high90.2Very high24 Ų2450.1 Ų50.113%0.12830%0.299CS..  trans-114.565.6-177.1-177.1-3000110.4L685 I686 F687 T688 I706 K737L685-N704 WeakPolarHBondContact O-CB 3.41Å; I686-N704 PolarHBondContact O-N 3.24Å; F687-N704 PolarHBondContact O-ND2 2.73Å; T688-N704 HydrophobicContact CG2-CB 4.21Å; N704-I706 PolarHBondContact O-N 2.89Å; N704-K737 WeakPolarHBondContact O-CE 3.45Å; N704-K737 PolarHBondContact O-NZ 3.22Å; N704-K737 PolarHBondContact OD1-NZ 3Å
705D89.3Confident91.1Very high108 Ų10844.9 Ų44.958%0.57827%0.269SS*.SBendtrans57.412.3179.6-36-53000117.3K737D705-K737 IonicContact OD2-NZ 2.65Å; D705-K737 PolarHBondContact OD2-NZ 3.03Å
706I94.1Very high91.7Very high1 Ų144.6 Ų44.61%0.00527%0.265CS..  trans-103.7104.4169.3-58.9168.4000107.6L677 A680 I686 N704 H708 V730 L734 K737L677-I706 HydrophobicContact CD2-CG2 3.85Å; A680-I706 HydrophobicContact CB-CD1 4.22Å; I686-I706 HydrophobicContact CD1-CD1 4.01Å; I686-I706 HydrophobicContact CD1-CG2 4.41Å; N704-I706 PolarHBondContact O-N 2.89Å; I706-H708 PolarHBondContact O-ND1 2.8Å; I706-V730 HydrophobicContact CG2-CG2 4.03Å; I706-L734 HydrophobicContact CD1-CD2 3.86Å; I706-L734 HydrophobicContact CG2-CD2 4.32Å; I706-L734 HydrophobicContact CG2-CG 4.23Å; I706-K737 HydrophobicContact CD1-CG 4.16Å; I706-K737 HydrophobicContact CG1-CG 4.1Å
707H92.7Very high92.1Very high107 Ų10750.9 Ų50.950%0.49528%0.283SS..  trans-70.4135.2-174.8-67.899.5000111.1Y726 E733H707-Y726 WeakPolarHBondContact O-CE2 3.31Å; H707-Y726 PolarHBondContact O-OH 2.88Å; H707-Y726 VanDerWaalsContact O-OH 3.12Å; H707-E733 IonicContact CE1-OE1 3.83Å; H707-E733 IonicContact CG-OE1 3.68Å; H707-E733 IonicContact CG-OE2 3.82Å; H707-E733 PolarHBondContact N-OE2 2.85Å; H707-E733 VanDerWaalsContact ND1-CD 3.27Å; H707-E733 IonicContact ND1-OE1 2.66Å; H707-E733 PolarHBondContact ND1-OE1 3.27Å; H707-E733 IonicContact ND1-OE2 3.51Å; H707-E733 PolarHBondContact ND1-OE2 3.34Å
708H95.8Very high92.5Very high10 Ų1056 Ų565%0.04630%0.299CS..  trans-119.5141.4178.4-78.569.3000110.4Y637 A662 W703 I706 T710Y637-H708 AromaticContact CE2-CD2 3.7Å; Y637-H708 AromaticContact CE2-NE2 3.67Å; Y637-H708 AromaticContact CZ-NE2 3.61Å; Y637-H708 PolarHBondContact OH-NE2 3.4Å; A662-H708 HydrophobicContact CB-CB 3.95Å; W703-H708 HydrophobicContact CE3-CB 4.35Å; W703-H708 AromaticContact CE3-CG 3.94Å; W703-H708 AromaticContact CE3-ND1 3.52Å; W703-H708 HydrophobicContact CH2-CB 3.62Å; W703-H708 AromaticContact CH2-CD2 3.85Å; W703-H708 AromaticContact CH2-CG 3.53Å; W703-H708 AromaticContact CH2-ND1 3.99Å; W703-H708 HydrophobicContact CZ2-CB 3.77Å; W703-H708 HydrophobicContact CZ3-CB 3.92Å; W703-H708 AromaticContact CZ3-CD2 3.74Å; W703-H708 AromaticContact CZ3-CE1 3.66Å; W703-H708 AromaticContact CZ3-CG 3.38Å; W703-H708 AromaticContact CZ3-ND1 3.34Å; W703-H708 VanDerWaalsContact CZ3-ND1 3.34Å; W703-H708 WeakPolarHBondContact CZ3-ND1 3.49Å; W703-H708 AromaticContact CZ3-NE2 3.89Å; I706-H708 PolarHBondContact O-ND1 2.8Å; H708-T710 PolarHBondContact O-N 3.47Å
709K97.1Very high92.6Very high9 Ų958.5 Ų58.54%0.03930%0.299CS..  trans-81.392.9172.4-69.2-69.5-175.9178.10110.3A662 Y663 S711 Y719 G720 Y721 D723 Y726A662-K709 CarbonylContact C-O 3.15Å; A662-K709 VanDerWaalsContact CA-O 3.25Å; A662-K709 WeakPolarHBondContact CA-O 3.39Å; Y663-K709 VanDerWaalsContact CD2-O 3.3Å; Y663-K709 WeakPolarHBondContact CD2-O 3.27Å; Y663-K709 PolarHBondContact N-O 3.01Å; K709-S711 VanDerWaalsContact C-N 3.32Å; K709-Y719 CarbonylContact C-O 3.32Å; K709-Y719 VanDerWaalsContact C-O 3.31Å; K709-Y719 WeakPolarHBondContact CA-O 3.12Å; K709-Y719 WeakPolarHBondContact CD-O 3.29Å; K709-G720 WeakPolarHBondContact CD-O 3.39Å; K709-G720 WeakPolarHBondContact CE-O 3.47Å; K709-G720 PolarHBondContact NZ-O 3.38Å; K709-Y721 HydrophobicContact CB-CD2 4.14Å; K709-Y721 HydrophobicContact CB-CE2 3.44Å; K709-Y721 VanDerWaalsContact CB-CE2 3.44Å; K709-Y721 HydrophobicContact CD-CD2 4.44Å; K709-Y721 HydrophobicContact CD-CE2 4.21Å; K709-Y721 HydrophobicContact CG-CD2 4.23Å; K709-Y721 HydrophobicContact CG-CE2 3.53Å; K709-D723 VanDerWaalsContact CE-OD2 3.3Å; K709-D723 WeakPolarHBondContact CE-OD2 3.47Å; K709-D723 IonicContact NZ-OD2 3.92Å; K709-D723 PolarHBondContact NZ-OD2 2.78Å; K709-Y726 HydrophobicContact CB-CE1 4.26Å; K709-Y726 HydrophobicContact CD-CD1 4.44Å; K709-Y726 HydrophobicContact CD-CD2 4.4Å; K709-Y726 HydrophobicContact CD-CG 4.32Å; K709-Y726 HydrophobicContact CG-CD1 3.57Å; K709-Y726 HydrophobicContact CG-CD2 4.02Å; K709-Y726 HydrophobicContact CG-CE1 3.41Å; K709-Y726 VanDerWaalsContact CG-CE1 3.41Å; K709-Y726 HydrophobicContact CG-CE2 3.89Å; K709-Y726 HydrophobicContact CG-CG 3.87Å
710T95.5Very high92.7Very high54 Ų5457.6 Ų57.633%0.33129%0.294SS..  trans-83.4-5.3-178.955.10000114.1T661 W703 H708 Y719T661-T710 WeakPolarHBondContact O-CA 3.38Å; W703-T710 HydrophobicContact CZ2-CG2 3.72Å; H708-T710 PolarHBondContact O-N 3.47Å; T710-Y719 PolarHBondContact N-O 2.85Å; T710-Y719 WeakPolarHBondContact OG1-CB 3.18Å
711S95.3Very high92.7Very high35 Ų3555.6 Ų55.625%0.24528%0.282CS..  trans-121.6146.4172.5179.40000110.9K709 F713 K718 Y719 G720K709-S711 VanDerWaalsContact C-N 3.32Å; S711-F713 VanDerWaalsContact C-N 3.29Å; S711-F713 WeakPolarHBondContact CB-O 3.4Å; S711-F713 PolarHBondContact OG-N 3.44Å; S711-F713 PolarHBondContact OG-O 3.38Å; S711-K718 VanDerWaalsContact CB-O 3.3Å; S711-K718 WeakPolarHBondContact CB-O 3.44Å; S711-Y719 PolarHBondContact N-O 3.01Å; S711-G720 WeakPolarHBondContact O-CA 3.44Å
712K94.3Very high92.8Very high42 Ų4258.8 Ų58.818%0.18330%0.303CS..SBendtrans-74.7-19.1167.7-70.3-167.9178.7-172.50112.5D622 L624 P625 Y663D622-K712 IonicContact OD2-NZ 3.17Å; D622-K712 PolarHBondContact OD2-NZ 3.21Å; L624-K712 HydrophobicContact CD2-CB 4.09Å; L624-K712 HydrophobicContact CD2-CD 4.39Å; L624-K712 HydrophobicContact CD2-CG 3.92Å; P625-K712 VanDerWaalsContact CD-O 3.31Å; P625-K712 WeakPolarHBondContact CD-O 3.35Å; Y663-K712 HydrophobicContact CD1-CG 3.89Å; Y663-K712 HydrophobicContact CD2-CG 3.93Å; Y663-K712 HydrophobicContact CE1-CD 4.35Å; Y663-K712 HydrophobicContact CE1-CG 3.85Å; Y663-K712 HydrophobicContact CE2-CG 3.91Å; Y663-K712 HydrophobicContact CG-CG 3.94Å
713F92.3Very high92.8Very high128 Ų12858.1 Ų58.156%0.56130%0.299SS*.SBendtrans-139166.3-168.3-54.5-75.5000113P625 S711 Y721P625-F713 HydrophobicContact CG-CD1 3.56Å; P625-F713 HydrophobicContact CG-CE1 3.75Å; S711-F713 VanDerWaalsContact C-N 3.29Å; S711-F713 WeakPolarHBondContact CB-O 3.4Å; S711-F713 PolarHBondContact OG-N 3.44Å; S711-F713 PolarHBondContact OG-O 3.38Å; F713-Y721 CarbonylContact C-O 3.54Å; F713-Y721 WeakPolarHBondContact CA-O 3.44Å
714G88.3Confident92.8Very high42 Ų4260.9 Ų60.943%0.43332%0.324SS..SBendtrans88.715172.100000115.3Y721G714-Y721 PolarHBondContact N-O 3.08Å; G714-Y721 VanDerWaalsContact N-O 3.08Å
715G91.9Very high92.8Very high10 Ų1062.4 Ų62.410%0.10334%0.337CS..THydrogen-bonded Turntrans62.9-166.3171.400000115.2E717 K718 Y719 G720 Y721 P722G715-E717 VanDerWaalsContact C-N 3.32Å; G715-E717 PolarHBondContact O-N 3.39Å; G715-K718 PolarHBondContact O-N 2.94Å; G715-Y719 PolarHBondContact O-N 3.13Å; G715-G720 CarbonylContact C-O 3.57Å; G715-G720 CarbonylContact O-C 3.45Å; G715-G720 WeakPolarHBondContact O-CA 3.24Å; G715-G720 PolarHBondContact O-N 3.32Å; G715-Y721 PolarHBondContact N-O 3.04Å; G715-P722 WeakPolarHBondContact CA-O 3.47Å
716P86.9Confident93.1Very high77 Ų7757.5 Ų57.550%0.531%0.31SS..G310 helixtrans-55.8-42.4-176.7-24.733.7000113.7K718 Y719 D723P716-K718 VanDerWaalsContact C-N 3.26Å; P716-K718 PolarHBondContact O-N 2.65Å; P716-Y719 PolarHBondContact O-N 2.76Å; P716-D723 HydrophobicContact CG-CB 4.17Å
717E87.1Confident93.2Very high175 Ų17557.5 Ų57.582%0.81831%0.311SS*.G310 helixtrans-58.6-32.9-177.8-61.5179.8176.800113.8G715G715-E717 VanDerWaalsContact C-N 3.32Å; G715-E717 PolarHBondContact O-N 3.39Å
718K89.5Confident93.4Very high142 Ų14258.7 Ų58.762%0.61731%0.314SS*.G310 helixtrans-103.620.7178.1-58.9-171.4-178.5176.40112.7S711 G715 P716 G720S711-K718 VanDerWaalsContact CB-O 3.3Å; S711-K718 WeakPolarHBondContact CB-O 3.44Å; G715-K718 PolarHBondContact O-N 2.94Å; P716-K718 VanDerWaalsContact C-N 3.26Å; P716-K718 PolarHBondContact O-N 2.65Å; K718-G720 PolarHBondContact O-N 3.48Å
719Y92.1Very high93.4Very high121 Ų12162.3 Ų62.348%0.47533%0.327SS..THydrogen-bonded Turntrans53.937.3-177.2-47.5-85.9000112.4K709 T710 S711 G715 P716K709-Y719 CarbonylContact C-O 3.32Å; K709-Y719 VanDerWaalsContact C-O 3.31Å; K709-Y719 WeakPolarHBondContact CA-O 3.12Å; K709-Y719 WeakPolarHBondContact CD-O 3.29Å; T710-Y719 PolarHBondContact N-O 2.85Å; T710-Y719 WeakPolarHBondContact OG1-CB 3.18Å; S711-Y719 PolarHBondContact N-O 3.01Å; G715-Y719 PolarHBondContact O-N 3.13Å; P716-Y719 PolarHBondContact O-N 2.76Å
720G94.8Very high93.4Very high0 Ų061.9 Ų61.90%033%0.326CS..  trans-136.7-164.7-175.200000114.5K709 S711 G715 K718K709-G720 WeakPolarHBondContact CD-O 3.39Å; K709-G720 WeakPolarHBondContact CE-O 3.47Å; K709-G720 PolarHBondContact NZ-O 3.38Å; S711-G720 WeakPolarHBondContact O-CA 3.44Å; G715-G720 CarbonylContact C-O 3.57Å; G715-G720 CarbonylContact O-C 3.45Å; G715-G720 WeakPolarHBondContact O-CA 3.24Å; G715-G720 PolarHBondContact O-N 3.32Å; K718-G720 PolarHBondContact O-N 3.48Å
721Y94.8Very high93.4Very high0 Ų062.3 Ų62.30%032%0.323CS..SBendtrans-106.1158.2-176.6-71.3-93.5000111.2L624 Y627 Y663 K709 F713 G714 G715 Y726L624-Y721 HydrophobicContact CB-CD1 4.48Å; L624-Y721 HydrophobicContact CB-CG 4.28Å; L624-Y721 HydrophobicContact CD1-CD1 4.41Å; L624-Y721 HydrophobicContact CD1-CD2 3.89Å; L624-Y721 HydrophobicContact CD1-CE1 4.16Å; L624-Y721 HydrophobicContact CD1-CE2 3.58Å; L624-Y721 HydrophobicContact CD1-CG 4.29Å; L624-Y721 HydrophobicContact CD2-CD2 4.12Å; L624-Y721 HydrophobicContact CD2-CE2 4.48Å; L624-Y721 HydrophobicContact CG-CD2 4.41Å; Y627-Y721 HydrophobicContact CD2-CD1 4.03Å; Y627-Y721 HydrophobicContact CD2-CE1 4.03Å; Y627-Y721 AromaticContact CE2-CD1 3.89Å; Y627-Y721 HydrophobicContact CE2-CD1 3.89Å; Y627-Y721 AromaticContact CE2-CE1 3.65Å; Y627-Y721 HydrophobicContact CE2-CE1 3.65Å; Y663-Y721 PolarHBondContact O-OH 2.83Å; K709-Y721 HydrophobicContact CB-CD2 4.14Å; K709-Y721 HydrophobicContact CB-CE2 3.44Å; K709-Y721 VanDerWaalsContact CB-CE2 3.44Å; K709-Y721 HydrophobicContact CD-CD2 4.44Å; K709-Y721 HydrophobicContact CD-CE2 4.21Å; K709-Y721 HydrophobicContact CG-CD2 4.23Å; K709-Y721 HydrophobicContact CG-CE2 3.53Å; F713-Y721 CarbonylContact C-O 3.54Å; F713-Y721 WeakPolarHBondContact CA-O 3.44Å; G714-Y721 PolarHBondContact N-O 3.08Å; G714-Y721 VanDerWaalsContact N-O 3.08Å; G715-Y721 PolarHBondContact N-O 3.04Å; Y721-Y726 HydrophobicContact CE1-CD1 4.37Å; Y721-Y726 AromaticContact CZ-CD1 4Å; Y721-Y726 WeakPolarHBondContact OH-CD1 3.48Å; Y721-Y726 WeakPolarHBondContact OH-CE1 3.38Å
722P95.7Very high93.3Very high72 Ų7265.6 Ų65.647%0.46833%0.334SS..  cis-72.5144.5-1.231.1-34.6000112.5P625 G715P625-P722 HydrophobicContact CB-CB 4.22Å; P625-P722 HydrophobicContact CB-CG 4.43Å; P625-P722 WeakPolarHBondContact O-CA 3.39Å; G715-P722 WeakPolarHBondContact CA-O 3.47Å
723D95.6Very high93.3Very high3 Ų365.3 Ų65.32%0.01633%0.334CS..  trans-15194.4170.9-177.3-19.4000108.7K709 P716 S725 Y726 R729K709-D723 VanDerWaalsContact CE-OD2 3.3Å; K709-D723 WeakPolarHBondContact CE-OD2 3.47Å; K709-D723 IonicContact NZ-OD2 3.92Å; K709-D723 PolarHBondContact NZ-OD2 2.78Å; P716-D723 HydrophobicContact CG-CB 4.17Å; D723-S725 PolarHBondContact O-N 3.22Å; D723-S725 PolarHBondContact OD1-N 3.21Å; D723-S725 PolarHBondContact OD1-OG 3.45Å; D723-Y726 PolarHBondContact O-N 3.07Å; D723-Y726 PolarHBondContact OD1-N 3.14Å; D723-Y726 VanDerWaalsContact OD1-N 3.09Å; D723-R729 IonicContact OD1-CZ 2.78Å; D723-R729 IonicContact OD1-NH1 2.68Å; D723-R729 PolarHBondContact OD1-NH1 3.46Å; D723-R729 IonicContact OD1-NH2 3.65Å; D723-R729 IonicContact OD2-CZ 3.46Å; D723-R729 IonicContact OD2-NH1 2.68Å; D723-R729 IonicContact OD2-NH2 3.22Å; D723-R729 PolarHBondContact OD2-NH2 3.5Å
724P92.6Very high93.3Very high119 Ų11959.2 Ų59.277%0.77331%0.307SS*.THydrogen-bonded Turntrans-71-16-171.728.3-35.3000113.5
725S93Very high93.3Very high56 Ų5663.4 Ų63.439%0.39231%0.313SS..THydrogen-bonded Turntrans-100.9-6.1-178.843.40000113.5D723 L727 K728 R729D723-S725 PolarHBondContact O-N 3.22Å; D723-S725 PolarHBondContact OD1-N 3.21Å; D723-S725 PolarHBondContact OD1-OG 3.45Å; S725-L727 PolarHBondContact O-N 2.9Å; S725-K728 PolarHBondContact O-N 3.32Å; S725-R729 PolarHBondContact O-N 3.05Å; S725-R729 VanDerWaalsContact O-N 3.07Å; S725-R729 PolarHBondContact OG-NH1 3.13Å
726Y96.9Very high93Very high4 Ų467.2 Ų67.22%0.01634%0.344CS..Hα-helixtrans-58.5-48.9-178.1170.7-115.6000114.1L664 H707 K709 Y721 D723 K728 R729 V730L664-Y726 HydrophobicContact CD2-CE1 3.73Å; H707-Y726 WeakPolarHBondContact O-CE2 3.31Å; H707-Y726 PolarHBondContact O-OH 2.88Å; H707-Y726 VanDerWaalsContact O-OH 3.12Å; K709-Y726 HydrophobicContact CB-CE1 4.26Å; K709-Y726 HydrophobicContact CD-CD1 4.44Å; K709-Y726 HydrophobicContact CD-CD2 4.4Å; K709-Y726 HydrophobicContact CD-CG 4.32Å; K709-Y726 HydrophobicContact CG-CD1 3.57Å; K709-Y726 HydrophobicContact CG-CD2 4.02Å; K709-Y726 HydrophobicContact CG-CE1 3.41Å; K709-Y726 VanDerWaalsContact CG-CE1 3.41Å; K709-Y726 HydrophobicContact CG-CE2 3.89Å; K709-Y726 HydrophobicContact CG-CG 3.87Å; Y721-Y726 HydrophobicContact CE1-CD1 4.37Å; Y721-Y726 AromaticContact CZ-CD1 4Å; Y721-Y726 WeakPolarHBondContact OH-CD1 3.48Å; Y721-Y726 WeakPolarHBondContact OH-CE1 3.38Å; D723-Y726 PolarHBondContact O-N 3.07Å; D723-Y726 PolarHBondContact OD1-N 3.14Å; D723-Y726 VanDerWaalsContact OD1-N 3.09Å; Y726-K728 PolarHBondContact O-N 3.37Å; Y726-R729 PolarHBondContact O-N 2.86Å; Y726-R729 VanDerWaalsContact O-N 3.17Å; Y726-V730 HydrophobicContact CD2-CB 4.4Å; Y726-V730 HydrophobicContact CE2-CB 3.88Å; Y726-V730 HydrophobicContact CE2-CG1 4.38Å; Y726-V730 HydrophobicContact CE2-CG2 4.24Å; Y726-V730 WeakPolarHBondContact O-CG1 3.48Å; Y726-V730 PolarHBondContact O-N 3.12Å
727L96.2Very high92.9Very high2 Ų265.5 Ų65.51%0.0133%0.328CS..Hα-helixtrans-64.8-23-177.7-62.4-176.4000113Y627 L664 P665 E669 V673 S725 K731Y627-L727 HydrophobicContact CE1-CD1 4.17Å; Y627-L727 WeakPolarHBondContact OH-CD1 3.21Å; L664-L727 HydrophobicContact CD2-CD2 4Å; P665-L727 HydrophobicContact CG-CD1 3.84Å; E669-L727 HydrophobicContact CB-CD1 4.05Å; E669-L727 HydrophobicContact CG-CB 4.21Å; E669-L727 HydrophobicContact CG-CD1 3.83Å; V673-L727 HydrophobicContact CG2-CD2 4.17Å; S725-L727 PolarHBondContact O-N 2.9Å; L727-K731 VanDerWaalsContact O-CD 3.3Å; L727-K731 WeakPolarHBondContact O-CD 3.15Å; L727-K731 WeakPolarHBondContact O-CE 3.46Å; L727-K731 VanDerWaalsContact O-CG 3.26Å; L727-K731 WeakPolarHBondContact O-CG 3.19Å
728K95.3Very high92.8Very high132 Ų13258.8 Ų58.857%0.57431%0.306SS*.Hα-helixtrans-75-55.3170.1-175.7-177170.3-1740110.6S725 Y726 V730 K731 E732S725-K728 PolarHBondContact O-N 3.32Å; Y726-K728 PolarHBondContact O-N 3.37Å; K728-V730 PolarHBondContact O-N 3.16Å; K728-K731 WeakPolarHBondContact O-CB 3.4Å; K728-K731 PolarHBondContact O-N 2.6Å; K728-K731 VanDerWaalsContact O-N 3.15Å; K728-E732 WeakPolarHBondContact CE-OE1 3.44Å; K728-E732 IonicContact NZ-OE1 2.65Å; K728-E732 PolarHBondContact O-N 3.08Å
729R96.4Very high92.7Very high86 Ų8652.1 Ų52.133%0.32528%0.277SS..Hα-helixtrans-57.5-45.5-177.5-66.3-168.7-48-92.3-5112.7D723 S725 Y726 K731 E732 E733D723-R729 IonicContact OD1-CZ 2.78Å; D723-R729 IonicContact OD1-NH1 2.68Å; D723-R729 PolarHBondContact OD1-NH1 3.46Å; D723-R729 IonicContact OD1-NH2 3.65Å; D723-R729 IonicContact OD2-CZ 3.46Å; D723-R729 IonicContact OD2-NH1 2.68Å; D723-R729 IonicContact OD2-NH2 3.22Å; D723-R729 PolarHBondContact OD2-NH2 3.5Å; S725-R729 PolarHBondContact O-N 3.05Å; S725-R729 VanDerWaalsContact O-N 3.07Å; S725-R729 PolarHBondContact OG-NH1 3.13Å; Y726-R729 PolarHBondContact O-N 2.86Å; Y726-R729 VanDerWaalsContact O-N 3.17Å; R729-K731 VanDerWaalsContact C-N 3.26Å; R729-K731 PolarHBondContact O-N 3.25Å; R729-E732 WeakPolarHBondContact O-CA 3.25Å; R729-E732 PolarHBondContact O-N 2.95Å; R729-E732 WeakPolarHBondContact O-CB 3.35Å; R729-E733 WeakPolarHBondContact O-CG 3.38Å; R729-E733 PolarHBondContact O-N 2.77Å
730V96.3Very high92.2Very high0 Ų053.2 Ų53.20%029%0.287CS..Hα-helixtrans-63.8-30.6-178.772.80000112.6V673 I706 Y726 K728 L734V673-V730 HydrophobicContact CG1-CG1 3.68Å; V673-V730 HydrophobicContact CG2-CG1 4.01Å; I706-V730 HydrophobicContact CG2-CG2 4.03Å; Y726-V730 HydrophobicContact CD2-CB 4.4Å; Y726-V730 HydrophobicContact CE2-CB 3.88Å; Y726-V730 HydrophobicContact CE2-CG1 4.38Å; Y726-V730 HydrophobicContact CE2-CG2 4.24Å; Y726-V730 WeakPolarHBondContact O-CG1 3.48Å; Y726-V730 PolarHBondContact O-N 3.12Å; K728-V730 PolarHBondContact O-N 3.16Å; V730-L734 HydrophobicContact CG2-CD1 4.2Å; V730-L734 VanDerWaalsContact O-CB 3.31Å; V730-L734 WeakPolarHBondContact O-CB 3.24Å; V730-L734 VanDerWaalsContact O-CD1 3.3Å; V730-L734 WeakPolarHBondContact O-CD1 3.46Å; V730-L734 VanDerWaalsContact O-CG 3.24Å; V730-L734 WeakPolarHBondContact O-CG 3.23Å; V730-L734 PolarHBondContact O-N 2.84Å
731K95.5Very high92Very high63 Ų6355.9 Ų55.927%0.27430%0.301SS..Hα-helixtrans-71.5-36.4172.3-66.6171.3-163164.60112.2E669 V673 L676 L727 K728 R729 K735E669-K731 VanDerWaalsContact CG-NZ 3.26Å; E669-K731 IonicContact OE1-NZ 2.63Å; E669-K731 PolarHBondContact OE1-NZ 2.77Å; V673-K731 HydrophobicContact CG2-CD 4.4Å; V673-K731 HydrophobicContact CG2-CG 3.94Å; L676-K731 HydrophobicContact CD1-CG 4.38Å; L727-K731 VanDerWaalsContact O-CD 3.3Å; L727-K731 WeakPolarHBondContact O-CD 3.15Å; L727-K731 WeakPolarHBondContact O-CE 3.46Å; L727-K731 VanDerWaalsContact O-CG 3.26Å; L727-K731 WeakPolarHBondContact O-CG 3.19Å; K728-K731 WeakPolarHBondContact O-CB 3.4Å; K728-K731 PolarHBondContact O-N 2.6Å; K728-K731 VanDerWaalsContact O-N 3.15Å; R729-K731 VanDerWaalsContact C-N 3.26Å; R729-K731 PolarHBondContact O-N 3.25Å; K731-K735 WeakPolarHBondContact O-CB 3.22Å; K731-K735 PolarHBondContact O-N 2.77Å
732E93.4Very high91.9Very high104 Ų10458.8 Ų58.849%0.48632%0.317SS..Hα-helixtrans-66.5-40.5175.3-67.4167.1164.500110.6K728 R729 K735 A736K728-E732 WeakPolarHBondContact CE-OE1 3.44Å; K728-E732 IonicContact NZ-OE1 2.65Å; K728-E732 PolarHBondContact O-N 3.08Å; R729-E732 WeakPolarHBondContact O-CA 3.25Å; R729-E732 PolarHBondContact O-N 2.95Å; R729-E732 WeakPolarHBondContact O-CB 3.35Å; E732-K735 PolarHBondContact O-N 2.61Å; E732-A736 WeakPolarHBondContact O-CB 3.33Å; E732-A736 PolarHBondContact O-N 2.91Å
733E94.4Very high91.7Very high36 Ų3658.1 Ų58.117%0.16831%0.309CS..Hα-helixtrans-62.8-48.6172.4-68.1164.2-169.400112.2H707 R729 K735 A736 K737H707-E733 IonicContact CE1-OE1 3.83Å; H707-E733 IonicContact CG-OE1 3.68Å; H707-E733 IonicContact CG-OE2 3.82Å; H707-E733 PolarHBondContact N-OE2 2.85Å; H707-E733 VanDerWaalsContact ND1-CD 3.27Å; H707-E733 IonicContact ND1-OE1 2.66Å; H707-E733 PolarHBondContact ND1-OE1 3.27Å; H707-E733 IonicContact ND1-OE2 3.51Å; H707-E733 PolarHBondContact ND1-OE2 3.34Å; R729-E733 WeakPolarHBondContact O-CG 3.38Å; R729-E733 PolarHBondContact O-N 2.77Å; E733-K735 PolarHBondContact O-N 3.38Å; E733-A736 PolarHBondContact O-N 2.89Å; E733-K737 WeakPolarHBondContact O-CG 3.48Å; E733-K737 PolarHBondContact O-N 2.99Å
734L92.4Very high91.5Very high0 Ų061.4 Ų61.40%033%0.326CS..Hα-helixtrans-59-45.6175.1-80.2159.9000111.5L676 L677 A680 I706 V730 A736 K737 G738 I739L676-L734 HydrophobicContact CB-CD1 3.74Å; L676-L734 HydrophobicContact CB-CD2 4.45Å; L676-L734 HydrophobicContact CD1-CD1 4.4Å; L677-L734 HydrophobicContact CD2-CD1 4.09Å; L677-L734 HydrophobicContact CD2-CD2 4.26Å; L677-L734 HydrophobicContact CG-CD1 4.4Å; A680-L734 HydrophobicContact CB-CD2 3.61Å; I706-L734 HydrophobicContact CD1-CD2 3.86Å; I706-L734 HydrophobicContact CG2-CD2 4.32Å; I706-L734 HydrophobicContact CG2-CG 4.23Å; V730-L734 HydrophobicContact CG2-CD1 4.2Å; V730-L734 VanDerWaalsContact O-CB 3.31Å; V730-L734 WeakPolarHBondContact O-CB 3.24Å; V730-L734 VanDerWaalsContact O-CD1 3.3Å; V730-L734 WeakPolarHBondContact O-CD1 3.46Å; V730-L734 VanDerWaalsContact O-CG 3.24Å; V730-L734 WeakPolarHBondContact O-CG 3.23Å; V730-L734 PolarHBondContact O-N 2.84Å; L734-A736 PolarHBondContact O-N 3.37Å; L734-K737 VanDerWaalsContact O-N 3.09Å; L734-K737 PolarHBondContact O-N 2.9Å; L734-K737 CarbonylContact O-C 3.47Å; L734-K737 WeakPolarHBondContact O-CA 3.31Å; L734-G738 PolarHBondContact O-N 2.85Å; L734-I739 CarbonylContact C-O 3.6Å; L734-I739 HydrophobicContact CB-CB 4.22Å; L734-I739 HydrophobicContact CD2-CB 4.12Å; L734-I739 HydrophobicContact CD2-CG1 4.47Å; L734-I739 HydrophobicContact CD2-CG2 4.06Å; L734-I739 WeakPolarHBondContact O-CA 3.05Å; L734-I739 WeakPolarHBondContact O-CB 3.4Å; L734-I739 PolarHBondContact O-N 2.77Å
735K89.6Confident91.4Very high129 Ų12957.8 Ų57.856%0.56130%0.298SS*.Hα-helixtrans-61.1-41.6175.3176.7167.9175.9155.60112.2K731 E732 E733 K737 G738 I739 E740K731-K735 WeakPolarHBondContact O-CB 3.22Å; K731-K735 PolarHBondContact O-N 2.77Å; E732-K735 PolarHBondContact O-N 2.61Å; E733-K735 PolarHBondContact O-N 3.38Å; K735-K737 PolarHBondContact O-N 2.72Å; K735-G738 PolarHBondContact O-N 2.76Å; K735-G738 WeakPolarHBondContact O-CA 3.26Å; K735-I739 PolarHBondContact N-O 2.63Å; K735-E740 HydrophobicContact CB-CG 4.46Å; K735-E740 HydrophobicContact CD-CG 4.44Å; K735-E740 VanDerWaalsContact CD-OE1 3.29Å; K735-E740 WeakPolarHBondContact CD-OE1 3.44Å; K735-E740 WeakPolarHBondContact CE-OE1 3.29Å; K735-E740 HydrophobicContact CG-CG 4.07Å; K735-E740 WeakPolarHBondContact CG-OE1 3.28Å; K735-E740 IonicContact NZ-OE1 3.81Å; K735-E740 PolarHBondContact NZ-OE1 2.71Å; K735-E740 VanDerWaalsContact NZ-OE1 3.14Å
736A84.9Confident91.3Very high90 Ų9057.9 Ų57.974%0.74429%0.292SS*.Hα-helixtrans-63.5-29174.700000112.8E732 E733 L734 G738E732-A736 WeakPolarHBondContact O-CB 3.33Å; E732-A736 PolarHBondContact O-N 2.91Å; E733-A736 PolarHBondContact O-N 2.89Å; L734-A736 PolarHBondContact O-N 3.37Å; A736-G738 VanDerWaalsContact C-N 3.27Å
737K85.3Confident90.9Very high42 Ų4261.7 Ų61.718%0.18331%0.311CS..THydrogen-bonded Turntrans-82.21.4170.4-61.8-80.5178171.70113.4L685 N704 D705 I706 E733 L734 K735L685-K737 HydrophobicContact CD1-CB 4.39Å; N704-K737 WeakPolarHBondContact O-CE 3.45Å; N704-K737 PolarHBondContact O-NZ 3.22Å; N704-K737 PolarHBondContact OD1-NZ 3Å; D705-K737 IonicContact OD2-NZ 2.65Å; D705-K737 PolarHBondContact OD2-NZ 3.03Å; I706-K737 HydrophobicContact CD1-CG 4.16Å; I706-K737 HydrophobicContact CG1-CG 4.1Å; E733-K737 WeakPolarHBondContact O-CG 3.48Å; E733-K737 PolarHBondContact O-N 2.99Å; L734-K737 VanDerWaalsContact O-N 3.09Å; L734-K737 PolarHBondContact O-N 2.9Å; L734-K737 CarbonylContact O-C 3.47Å; L734-K737 WeakPolarHBondContact O-CA 3.31Å; K735-K737 PolarHBondContact O-N 2.72Å
738G83.9Confident90.5Very high34 Ų3466.3 Ų66.335%0.35133%0.334SS..THydrogen-bonded Turntrans89.116.2178.300000115.2L734 K735 A736L734-G738 PolarHBondContact O-N 2.85Å; K735-G738 PolarHBondContact O-N 2.76Å; K735-G738 WeakPolarHBondContact O-CA 3.26Å; A736-G738 VanDerWaalsContact C-N 3.27Å
739I87.2Confident90.1Very high1 Ų160.8 Ų60.81%0.00531%0.314CS..  trans-106.8101.9-175.3-52.9-63.4000110.3L676 K679 A680 Q683 L685 L734 K735L676-I739 HydrophobicContact CB-CG2 4.07Å; L676-I739 HydrophobicContact CD2-CG2 4.02Å; L676-I739 WeakPolarHBondContact O-CG2 3.21Å; K679-I739 HydrophobicContact CB-CG2 4.22Å; K679-I739 HydrophobicContact CD-CG2 4.08Å; K679-I739 HydrophobicContact CG-CD1 4.27Å; K679-I739 HydrophobicContact CG-CG2 4.14Å; A680-I739 HydrophobicContact CB-CG1 4.04Å; A680-I739 HydrophobicContact CB-CG2 4.45Å; Q683-I739 VanDerWaalsContact CD-CD1 3.46Å; Q683-I739 HydrophobicContact CG-CD1 4.49Å; L685-I739 HydrophobicContact CD1-CD1 3.77Å; L685-I739 HydrophobicContact CD1-CG1 3.88Å; L734-I739 CarbonylContact C-O 3.6Å; L734-I739 HydrophobicContact CB-CB 4.22Å; L734-I739 HydrophobicContact CD2-CB 4.12Å; L734-I739 HydrophobicContact CD2-CG1 4.47Å; L734-I739 HydrophobicContact CD2-CG2 4.06Å; L734-I739 WeakPolarHBondContact O-CA 3.05Å; L734-I739 WeakPolarHBondContact O-CB 3.4Å; L734-I739 PolarHBondContact O-N 2.77Å; K735-I739 PolarHBondContact N-O 2.63Å
740E81.7Confident89.5Confident145 Ų14558.5 Ų58.568%0.67831%0.314SS*.  trans-118.60176.2-60.9-173.1144.300112.4L676 K679 K735L676-E740 VanDerWaalsContact CD2-C 3.49Å; L676-E740 WeakPolarHBondContact CD2-OXT 3.5Å; K679-E740 PolarHBondContact NZ-O 3.18Å; K735-E740 HydrophobicContact CB-CG 4.46Å; K735-E740 HydrophobicContact CD-CG 4.44Å; K735-E740 VanDerWaalsContact CD-OE1 3.29Å; K735-E740 WeakPolarHBondContact CD-OE1 3.44Å; K735-E740 WeakPolarHBondContact CE-OE1 3.29Å; K735-E740 HydrophobicContact CG-CG 4.07Å; K735-E740 WeakPolarHBondContact CG-OE1 3.28Å; K735-E740 IonicContact NZ-OE1 3.81Å; K735-E740 PolarHBondContact NZ-OE1 2.71Å; K735-E740 VanDerWaalsContact NZ-OE1 3.14Å

Retrieved 740 of 740 residues in 230.8 ms (Link to these results)

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