A0A3Q0KMA2_SCHMA Loading...

Putative leucine-rich repeat-containing protein AlphaSync

AlphaFold DB , UniProt , Accession A0A3Q0KMA2, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 711 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
1M37.1Very low68.6Low240 Ų240130.1 Ų130.1100%1.18262%0.622SS**  075.60-72.2-172.1-166.600110.3
2F44.4Very low70.1Confident209 Ų209134.7 Ų134.792%0.91763%0.629SS**  trans-97.499.5166-66.6-76.4000106.5K4F2-K4 PolarHBondContact O-N 3Å
3S51.9Low71.5Confident90 Ų90128.8 Ų128.863%0.62960%0.604SS**  trans-56.1107.9170179.80000106.7K5 K37S3-K5 PolarHBondContact O-N 3.24Å; S3-K37 PolarHBondContact OG-NZ 2.94Å
4K56.5Low72.9Confident185 Ų185121.3 Ų121.380%0.80457%0.569SS**  trans-51.9111.7175.4-80.7-175.6176.7-179.10106.7F2 K37F2-K4 PolarHBondContact O-N 3Å; K4-K37 WeakPolarHBondContact O-CE 3.24Å; K4-K37 PolarHBondContact O-NZ 3.22Å
5K68.3Low74.1Confident193 Ų193120.7 Ų120.784%0.83957%0.567SS**PPolyproline II helixtrans-68.3143.9172.6-75.2-175.5176.1-178.80107.3S3 S7S3-K5 PolarHBondContact O-N 3.24Å; K5-S7 PolarHBondContact O-N 2.67Å
6Q77.8Confident75.1Confident65 Ų65121.8 Ų121.830%0.30457%0.568SS.*PPolyproline II helixtrans-49.5131.3170.6-174.6-176.333.300108.7C34 E35Q6-C34 PolarHBondContact NE2-O 2.76Å; Q6-E35 HydrophobicContact CG-CB 4.25Å
7S83Confident76.1Confident38 Ų38116.2 Ų116.227%0.26654%0.542SS..PPolyproline II helixtrans-61.3150.817980.10000110.4K5 E9 S10 R11 E35K5-S7 PolarHBondContact O-N 2.67Å; S7-E9 PolarHBondContact O-N 3.18Å; S7-S10 PolarHBondContact O-N 3Å; S7-S10 WeakPolarHBondContact OG-CB 3.49Å; S7-S10 PolarHBondContact OG-N 3.43Å; S7-S10 PolarHBondContact OG-OG 2.61Å; S7-R11 PolarHBondContact O-N 2.8Å; S7-E35 WeakPolarHBondContact CB-OE2 3.43Å; S7-E35 PolarHBondContact N-OE2 3.1Å
8N81.3Confident77Confident114 Ų114111.4 Ų111.461%0.6152%0.52SS*.Hα-helixtrans-59.9-30.7177.1-82-36.4000111.9R12N8-R12 WeakPolarHBondContact O-CG 3.19Å; N8-R12 PolarHBondContact O-N 3.09Å
9E83.5Confident77.6Confident160 Ų160113.4 Ų113.475%0.74852%0.523SS*.Hα-helixtrans-68.1-48.3176.2-173.5172.1-17500111.3S7 R11 R12 L13S7-E9 PolarHBondContact O-N 3.18Å; E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 3.08Å; E9-R12 PolarHBondContact O-N 3.38Å; E9-R12 VanDerWaalsContact O-N 3.14Å; E9-L13 WeakPolarHBondContact O-CB 3.42Å; E9-L13 PolarHBondContact O-N 2.96Å
10S84.1Confident78.1Confident9 Ų9110.1 Ų110.16%0.06351%0.51CS..Hα-helixtrans-63.3-33176.8-57.10000112.6S7 L13 L14 E35S7-S10 PolarHBondContact O-N 3Å; S7-S10 WeakPolarHBondContact OG-CB 3.49Å; S7-S10 PolarHBondContact OG-N 3.43Å; S7-S10 PolarHBondContact OG-OG 2.61Å; S10-L13 PolarHBondContact O-N 2.85Å; S10-L14 WeakPolarHBondContact O-CB 3.45Å; S10-L14 PolarHBondContact O-N 3.01Å; S10-E35 WeakPolarHBondContact OG-CG 3.41Å; S10-E35 PolarHBondContact OG-OE1 2.96Å; S10-E35 PolarHBondContact OG-OE2 3.48Å
11R87.3Confident78.6Confident128 Ų128105 Ų10548%0.48349%0.487SS..Hα-helixtrans-65.4-44.1172.9-172.3171.264.2125.5-3.4112.2S7 E9 L13 L14 E15S7-R11 PolarHBondContact O-N 2.8Å; E9-R11 VanDerWaalsContact C-N 3.27Å; E9-R11 PolarHBondContact O-N 3.08Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 3.03Å; R11-L14 WeakPolarHBondContact O-CB 3.33Å; R11-L14 PolarHBondContact O-N 3.23Å; R11-E15 WeakPolarHBondContact O-CG 3.29Å; R11-E15 PolarHBondContact O-N 3.46Å
12R86.2Confident81.1Confident185 Ų185100.9 Ų100.970%0.69846%0.458SS*.Hα-helixtrans-64.1-38.6174.3-71.6174.7-179.91770.3111.6N8 E9 E15 K16N8-R12 WeakPolarHBondContact O-CG 3.19Å; N8-R12 PolarHBondContact O-N 3.09Å; E9-R12 PolarHBondContact O-N 3.38Å; E9-R12 VanDerWaalsContact O-N 3.14Å; R12-E15 PolarHBondContact O-N 2.89Å; R12-K16 WeakPolarHBondContact O-CB 3.32Å; R12-K16 PolarHBondContact O-N 3.27Å
13L88.8Confident83.1Confident58 Ų5896.8 Ų96.830%0.30444%0.442SS..Hα-helixtrans-63-44.9175.6-176.262.6000111E9 S10 R11 K16 K17 S33E9-L13 WeakPolarHBondContact O-CB 3.42Å; E9-L13 PolarHBondContact O-N 2.96Å; S10-L13 PolarHBondContact O-N 2.85Å; R11-L13 VanDerWaalsContact C-N 3.32Å; R11-L13 PolarHBondContact O-N 3.03Å; L13-K16 PolarHBondContact O-N 3.17Å; L13-K17 HydrophobicContact CD1-CG 4.35Å; L13-K17 HydrophobicContact CG-CD 4.39Å; L13-K17 HydrophobicContact CG-CG 4.49Å; L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 WeakPolarHBondContact O-CG 3.25Å; L13-K17 PolarHBondContact O-N 3.14Å; L13-S33 WeakPolarHBondContact CD2-O 3.19Å
14L91.1Very high84.6Confident24 Ų2498.9 Ų98.913%0.12644%0.436CS..Hα-helixtrans-59.3-48.7175.8178.365.2000111.6S10 R11 K16 K17 M18 L31 C34 L36S10-L14 WeakPolarHBondContact O-CB 3.45Å; S10-L14 PolarHBondContact O-N 3.01Å; R11-L14 WeakPolarHBondContact O-CB 3.33Å; R11-L14 PolarHBondContact O-N 3.23Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.27Å; L14-K17 PolarHBondContact O-N 3.27Å; L14-M18 HydrophobicContact CD1-CE 4.42Å; L14-M18 HydrophobicContact CD1-CG 4.3Å; L14-M18 WeakPolarHBondContact O-CB 3.18Å; L14-M18 VanDerWaalsContact O-CG 3.31Å; L14-M18 WeakPolarHBondContact O-CG 3.39Å; L14-M18 PolarHBondContact O-N 3.36Å; L14-L31 HydrophobicContact CD1-CD2 3.79Å; L14-C34 HydrophobicContact CB-CB 4.37Å; L14-C34 HydrophobicContact CD1-CB 4.31Å; L14-L36 HydrophobicContact CD1-CD1 4.22Å; L14-L36 HydrophobicContact CD1-CD2 4.04Å; L14-L36 HydrophobicContact CD2-CD2 3.78Å; L14-L36 HydrophobicContact CG-CD2 4.49Å
15E89.9Confident85.8Confident113 Ų11396.6 Ų96.653%0.52844%0.44SS..Hα-helixtrans-59.6-44.8177.5-73.7170.7-171.600111.3R11 R12 M18 Y19R11-E15 WeakPolarHBondContact O-CG 3.29Å; R11-E15 PolarHBondContact O-N 3.46Å; R12-E15 PolarHBondContact O-N 2.89Å; E15-M18 PolarHBondContact O-N 2.97Å; E15-Y19 WeakPolarHBondContact O-CB 3.23Å; E15-Y19 PolarHBondContact O-N 3.31Å
16K90.8Very high86.8Confident137 Ų13790.1 Ų90.160%0.59642%0.415SS*.Hα-helixtrans-60.8-46.7175.5-178.4-179.5178.1-177.30111.6R12 L13 L14 Y19 L20R12-K16 WeakPolarHBondContact O-CB 3.32Å; R12-K16 PolarHBondContact O-N 3.27Å; L13-K16 PolarHBondContact O-N 3.17Å; L14-K16 VanDerWaalsContact C-N 3.34Å; L14-K16 PolarHBondContact O-N 3.27Å; K16-Y19 PolarHBondContact O-N 3.12Å; K16-L20 HydrophobicContact CG-CD1 4.13Å; K16-L20 WeakPolarHBondContact O-CB 3.39Å; K16-L20 VanDerWaalsContact O-CG 3.28Å; K16-L20 WeakPolarHBondContact O-CG 3.47Å; K16-L20 PolarHBondContact O-N 3.44Å
17K92.6Very high87.4Confident28 Ų2889.7 Ų89.712%0.12241%0.414CS..Hα-helixtrans-66.1-39.6179.9-77.1-166.3-177.8-159.40112.2L13 L14 Y19 L20 A21 D30 L31 S32L13-K17 HydrophobicContact CD1-CG 4.35Å; L13-K17 HydrophobicContact CG-CD 4.39Å; L13-K17 HydrophobicContact CG-CG 4.49Å; L13-K17 WeakPolarHBondContact O-CB 3.47Å; L13-K17 WeakPolarHBondContact O-CG 3.25Å; L13-K17 PolarHBondContact O-N 3.14Å; L14-K17 PolarHBondContact O-N 3.27Å; K17-Y19 PolarHBondContact O-N 3.29Å; K17-L20 PolarHBondContact O-N 3.25Å; K17-A21 WeakPolarHBondContact O-CB 3.5Å; K17-A21 PolarHBondContact O-N 3.29Å; K17-D30 WeakPolarHBondContact CB-O 3.48Å; K17-D30 WeakPolarHBondContact CD-O 3.38Å; K17-D30 WeakPolarHBondContact CE-OD2 3.39Å; K17-D30 VanDerWaalsContact NZ-CG 3.32Å; K17-D30 IonicContact NZ-OD1 3.27Å; K17-D30 PolarHBondContact NZ-OD1 3.37Å; K17-D30 IonicContact NZ-OD2 2.86Å; K17-D30 PolarHBondContact NZ-OD2 3.45Å; K17-L31 HydrophobicContact CB-CD2 4.32Å; K17-S32 PolarHBondContact NZ-O 2.96Å; K17-S32 PolarHBondContact NZ-OG 3.02Å
18M91Very high87.9Confident30 Ų3090.6 Ų90.615%0.14842%0.416CS..Hα-helixtrans-61.5-42.3173-80.8-78160.300112.5L14 E15 R22 F29 L31 P40L14-M18 HydrophobicContact CD1-CE 4.42Å; L14-M18 HydrophobicContact CD1-CG 4.3Å; L14-M18 WeakPolarHBondContact O-CB 3.18Å; L14-M18 VanDerWaalsContact O-CG 3.31Å; L14-M18 WeakPolarHBondContact O-CG 3.39Å; L14-M18 PolarHBondContact O-N 3.36Å; E15-M18 PolarHBondContact O-N 2.97Å; M18-R22 WeakPolarHBondContact O-CG 3.43Å; M18-R22 PolarHBondContact O-N 2.77Å; M18-F29 HydrophobicContact CE-CE1 3.96Å; M18-F29 HydrophobicContact CE-CZ 4.06Å; M18-F29 HydrophobicContact SD-CE1 4.46Å; M18-F29 HydrophobicContact SD-CZ 4.11Å; M18-L31 HydrophobicContact CE-CD1 3.45Å; M18-L31 VanDerWaalsContact CE-CD1 3.45Å; M18-L31 HydrophobicContact CE-CD2 3.32Å; M18-L31 HydrophobicContact CE-CG 3.96Å; M18-L31 HydrophobicContact CG-CD2 4.16Å; M18-L31 HydrophobicContact SD-CD2 4.34Å; M18-P40 HydrophobicContact CE-CB 4.34Å; M18-P40 HydrophobicContact CE-CG 3.95Å
19Y88.8Confident88.5Confident148 Ų14885.2 Ų85.258%0.5839%0.387SS*.Hα-helixtrans-63.6-49.4174.2178.6-95.4000111.3E15 K16 K17 A21 R22 E23E15-Y19 WeakPolarHBondContact O-CB 3.23Å; E15-Y19 PolarHBondContact O-N 3.31Å; K16-Y19 PolarHBondContact O-N 3.12Å; K17-Y19 PolarHBondContact O-N 3.29Å; Y19-A21 VanDerWaalsContact C-N 3.3Å; Y19-A21 PolarHBondContact O-N 2.94Å; Y19-R22 PolarHBondContact O-N 2.55Å; Y19-R22 VanDerWaalsContact O-N 3.11Å; Y19-E23 HydrophobicContact CD1-CG 4.2Å; Y19-E23 HydrophobicContact CD2-CG 4.27Å; Y19-E23 HydrophobicContact CE1-CB 4.44Å; Y19-E23 HydrophobicContact CE1-CG 3.74Å; Y19-E23 HydrophobicContact CE2-CG 3.83Å; Y19-E23 HydrophobicContact CG-CG 4.45Å; Y19-E23 PolarHBondContact O-N 2.86Å
20L87Confident89Confident48 Ų4879.9 Ų79.925%0.25136%0.363SS..Hα-helixtrans-60.4-38.6178.8-71.3174.4000112.4K16 K17 R22 E23 R24K16-L20 HydrophobicContact CG-CD1 4.13Å; K16-L20 WeakPolarHBondContact O-CB 3.39Å; K16-L20 VanDerWaalsContact O-CG 3.28Å; K16-L20 WeakPolarHBondContact O-CG 3.47Å; K16-L20 PolarHBondContact O-N 3.44Å; K17-L20 PolarHBondContact O-N 3.25Å; L20-R22 VanDerWaalsContact C-N 3.25Å; L20-R22 PolarHBondContact O-N 3.4Å; L20-E23 PolarHBondContact O-N 3.2Å; L20-R24 HydrophobicContact CD2-CG 4.48Å; L20-R24 WeakPolarHBondContact O-CB 3.37Å; L20-R24 WeakPolarHBondContact O-CG 3.35Å; L20-R24 PolarHBondContact O-N 3.36Å
21A88.8Confident89.5Confident4 Ų479.4 Ų79.43%0.03336%0.36CS..Hα-helixtrans-61.5-34.2177.700000112.4K17 Y19 F29 L50 K52K17-A21 WeakPolarHBondContact O-CB 3.5Å; K17-A21 PolarHBondContact O-N 3.29Å; Y19-A21 VanDerWaalsContact C-N 3.3Å; Y19-A21 PolarHBondContact O-N 2.94Å; A21-F29 HydrophobicContact CB-CD1 4.3Å; A21-F29 HydrophobicContact CB-CD2 3.87Å; A21-F29 HydrophobicContact CB-CE1 4.16Å; A21-F29 HydrophobicContact CB-CE2 3.73Å; A21-F29 HydrophobicContact CB-CG 4.14Å; A21-F29 HydrophobicContact CB-CZ 3.87Å; A21-L50 WeakPolarHBondContact O-CD1 3.39Å; A21-K52 WeakPolarHBondContact O-CE 3.4Å; A21-K52 PolarHBondContact O-NZ 3.06Å; A21-K52 VanDerWaalsContact O-NZ 3.13Å
22R89.5Confident89.7Confident152 Ų15273.8 Ų73.857%0.57434%0.341SS*.Hα-helixtrans-78.6-41.4178.3-67.4176.3-175.6-159.41.1113M18 Y19 L20 L46 L50M18-R22 WeakPolarHBondContact O-CG 3.43Å; M18-R22 PolarHBondContact O-N 2.77Å; Y19-R22 PolarHBondContact O-N 2.55Å; Y19-R22 VanDerWaalsContact O-N 3.11Å; L20-R22 VanDerWaalsContact C-N 3.25Å; L20-R22 PolarHBondContact O-N 3.4Å; R22-L46 HydrophobicContact CG-CD2 4.17Å; R22-L50 HydrophobicContact CG-CD1 4.14Å
23E87.5Confident89.9Confident124 Ų12467 Ų6758%0.57932%0.322SS*.Hα-helixtrans-84.9-32.8-173.7-67.6-59.4130.600113.1Y19 L20Y19-E23 HydrophobicContact CD1-CG 4.2Å; Y19-E23 HydrophobicContact CD2-CG 4.27Å; Y19-E23 HydrophobicContact CE1-CB 4.44Å; Y19-E23 HydrophobicContact CE1-CG 3.74Å; Y19-E23 HydrophobicContact CE2-CG 3.83Å; Y19-E23 HydrophobicContact CG-CG 4.45Å; Y19-E23 PolarHBondContact O-N 2.86Å; L20-E23 PolarHBondContact O-N 3.2Å
24R82.5Confident89.9Confident134 Ų13464.3 Ų64.351%0.50631%0.307SS..  trans-75.2128.6-179.2-71.3-172.6167.3170.9-4.2109.9L20 D26 K52L20-R24 HydrophobicContact CD2-CG 4.48Å; L20-R24 WeakPolarHBondContact O-CB 3.37Å; L20-R24 WeakPolarHBondContact O-CG 3.35Å; L20-R24 PolarHBondContact O-N 3.36Å; R24-D26 WeakPolarHBondContact CD-OD2 3.41Å; R24-D26 PolarHBondContact O-N 3.14Å; R24-K52 PolarHBondContact O-NZ 2.92Å
25P82.2Confident89.8Confident137 Ų13767.3 Ų67.389%0.8932%0.321SS*.  trans-78.64.9176.934.4-37.1000113
26D89Confident89.8Confident57 Ų5762.4 Ų62.431%0.30530%0.298SS..SBendtrans-68.4170.7175.858.126000111.4R24 I28 K52R24-D26 WeakPolarHBondContact CD-OD2 3.41Å; R24-D26 PolarHBondContact O-N 3.14Å; D26-I28 PolarHBondContact O-N 3.01Å; D26-I28 PolarHBondContact OD1-N 3.16Å; D26-K52 WeakPolarHBondContact O-CD 3.3Å; D26-K52 WeakPolarHBondContact O-CE 3.24Å; D26-K52 PolarHBondContact O-NZ 2.92Å; D26-K52 IonicContact OD1-NZ 2.85Å; D26-K52 PolarHBondContact OD1-NZ 3.33Å
27D91.3Very high89.7Confident55 Ų5560.6 Ų60.629%0.29429%0.29SS..SBendtrans-89.612.7179.566.1-15.8000112.7K52 T53 K54D27-K52 CarbonylContact O-C 3.12Å; D27-K52 WeakPolarHBondContact O-CA 3.37Å; D27-T53 HydrophobicContact CB-CG2 4.42Å; D27-T53 WeakPolarHBondContact CB-OG1 3.45Å; D27-T53 PolarHBondContact O-N 3.35Å; D27-T53 PolarHBondContact OD2-OG1 3.46Å; D27-K54 PolarHBondContact O-N 3Å; D27-K54 IonicContact OD1-NZ 3.55Å; D27-K54 PolarHBondContact OD1-NZ 2.9Å; D27-K54 IonicContact OD2-NZ 3.52Å; D27-K54 PolarHBondContact OD2-NZ 3.4Å
28I92.2Very high89.6Confident58 Ų5865 Ų6530%0.29731%0.313SS..EExtended strand (participates in β ladder)trans-100.7133.6-171.9-61.6171.3000111.2D26 D30 K52 K54 Y56D26-I28 PolarHBondContact O-N 3.01Å; D26-I28 PolarHBondContact OD1-N 3.16Å; I28-D30 HydrophobicContact CG2-CB 4.22Å; I28-K52 WeakPolarHBondContact O-CD 3.41Å; I28-K52 WeakPolarHBondContact O-CE 3.34Å; I28-K52 PolarHBondContact O-NZ 3.38Å; I28-K54 HydrophobicContact CG1-CB 4.28Å; I28-K54 HydrophobicContact CG1-CD 4.16Å; I28-Y56 HydrophobicContact CG1-CE2 4.47Å; I28-Y56 HydrophobicContact CG2-CD2 3.8Å; I28-Y56 HydrophobicContact CG2-CE2 3.77Å
29F94.3Very high89.7Confident0 Ų063.6 Ų63.60%031%0.306CS..EExtended strand (participates in β ladder)trans-123.2102.1167.7-156.1-63.9000108.7M18 A21 L31 T43 L46 V47 L50 K52 K54 L55 Y56M18-F29 HydrophobicContact CE-CE1 3.96Å; M18-F29 HydrophobicContact CE-CZ 4.06Å; M18-F29 HydrophobicContact SD-CE1 4.46Å; M18-F29 HydrophobicContact SD-CZ 4.11Å; A21-F29 HydrophobicContact CB-CD1 4.3Å; A21-F29 HydrophobicContact CB-CD2 3.87Å; A21-F29 HydrophobicContact CB-CE1 4.16Å; A21-F29 HydrophobicContact CB-CE2 3.73Å; A21-F29 HydrophobicContact CB-CG 4.14Å; A21-F29 HydrophobicContact CB-CZ 3.87Å; F29-L31 HydrophobicContact CD1-CD1 4.34Å; F29-L31 HydrophobicContact CD1-CD2 4.48Å; F29-L31 HydrophobicContact CD1-CG 4.02Å; F29-L31 HydrophobicContact CE1-CD1 3.8Å; F29-L31 HydrophobicContact CE1-CD2 3.88Å; F29-L31 HydrophobicContact CE1-CG 3.71Å; F29-T43 HydrophobicContact CD1-CG2 4.46Å; F29-T43 HydrophobicContact CE1-CG2 3.83Å; F29-T43 HydrophobicContact CZ-CG2 4.01Å; F29-L46 HydrophobicContact CE2-CB 4.36Å; F29-L46 HydrophobicContact CE2-CD2 3.79Å; F29-L46 HydrophobicContact CE2-CG 3.96Å; F29-L46 HydrophobicContact CZ-CD2 3.92Å; F29-V47 HydrophobicContact CB-CG2 4.02Å; F29-V47 HydrophobicContact CD1-CG2 4.3Å; F29-V47 HydrophobicContact CD2-CB 4.45Å; F29-V47 HydrophobicContact CD2-CG2 3.43Å; F29-V47 VanDerWaalsContact CD2-CG2 3.43Å; F29-V47 HydrophobicContact CE2-CG2 3.97Å; F29-V47 HydrophobicContact CG-CG2 3.64Å; F29-L50 HydrophobicContact CE2-CD1 4.32Å; F29-K52 HydrophobicContact CB-CB 4.04Å; F29-K52 HydrophobicContact CB-CG 4.1Å; F29-K52 HydrophobicContact CD2-CG 4Å; F29-K54 PolarHBondContact N-O 2.88Å; F29-L55 HydrophobicContact CB-CD1 4.06Å; F29-L55 HydrophobicContact CD1-CD1 4.03Å; F29-L55 HydrophobicContact CG-CD1 4.31Å; F29-L55 WeakPolarHBondContact O-CA 3.28Å; F29-Y56 PolarHBondContact O-N 3.28Å
30D94.5Very high89.7Confident48 Ų4858.6 Ų58.626%0.25729%0.291SS..EExtended strand (participates in β ladder)trans-107.6123.3-175.9176.623.6000111.8K17 I28 S32 Y56K17-D30 WeakPolarHBondContact CB-O 3.48Å; K17-D30 WeakPolarHBondContact CD-O 3.38Å; K17-D30 WeakPolarHBondContact CE-OD2 3.39Å; K17-D30 VanDerWaalsContact NZ-CG 3.32Å; K17-D30 IonicContact NZ-OD1 3.27Å; K17-D30 PolarHBondContact NZ-OD1 3.37Å; K17-D30 IonicContact NZ-OD2 2.86Å; K17-D30 PolarHBondContact NZ-OD2 3.45Å; I28-D30 HydrophobicContact CG2-CB 4.22Å; D30-S32 VanDerWaalsContact OD1-CB 3.25Å; D30-S32 WeakPolarHBondContact OD1-CB 3.43Å; D30-S32 PolarHBondContact OD1-N 3.47Å; D30-S32 PolarHBondContact OD1-OG 3.02Å; D30-Y56 HydrophobicContact CB-CD2 4.39Å
31L93.7Very high89.8Confident0 Ų063.1 Ų63.10%032%0.316CS..  trans-131.526169.2-53.8174.8000111.9L14 K17 M18 F29 L36 T43 Y56 L57 N60L14-L31 HydrophobicContact CD1-CD2 3.79Å; K17-L31 HydrophobicContact CB-CD2 4.32Å; M18-L31 HydrophobicContact CE-CD1 3.45Å; M18-L31 VanDerWaalsContact CE-CD1 3.45Å; M18-L31 HydrophobicContact CE-CD2 3.32Å; M18-L31 HydrophobicContact CE-CG 3.96Å; M18-L31 HydrophobicContact CG-CD2 4.16Å; M18-L31 HydrophobicContact SD-CD2 4.34Å; F29-L31 HydrophobicContact CD1-CD1 4.34Å; F29-L31 HydrophobicContact CD1-CD2 4.48Å; F29-L31 HydrophobicContact CD1-CG 4.02Å; F29-L31 HydrophobicContact CE1-CD1 3.8Å; F29-L31 HydrophobicContact CE1-CD2 3.88Å; F29-L31 HydrophobicContact CE1-CG 3.71Å; L31-L36 HydrophobicContact CB-CD1 4.02Å; L31-L36 HydrophobicContact CD1-CD1 4.49Å; L31-T43 HydrophobicContact CD1-CG2 3.95Å; L31-Y56 CarbonylContact C-O 3.17Å; L31-Y56 PolarHBondContact N-O 2.89Å; L31-L57 HydrophobicContact CB-CD2 4.04Å; L31-L57 HydrophobicContact CD1-CD2 4.09Å; L31-N60 PolarHBondContact O-ND2 3.32Å
32S91.4Very high89.8Confident10 Ų1064.6 Ų64.67%0.0733%0.331CS..THydrogen-bonded Turntrans-65.2153.917659.30000112.3K17 D30 C34 Y56 Q58K17-S32 PolarHBondContact NZ-O 2.96Å; K17-S32 PolarHBondContact NZ-OG 3.02Å; D30-S32 VanDerWaalsContact OD1-CB 3.25Å; D30-S32 WeakPolarHBondContact OD1-CB 3.43Å; D30-S32 PolarHBondContact OD1-N 3.47Å; D30-S32 PolarHBondContact OD1-OG 3.02Å; S32-C34 PolarHBondContact O-N 3.26Å; S32-C34 VanDerWaalsContact O-N 3.14Å; S32-C34 PolarHBondContact O-SG 3.47Å; S32-Y56 PolarHBondContact N-O 2.73Å; S32-Q58 CarbonylContact C-O 3.2Å; S32-Q58 WeakPolarHBondContact CA-O 3.22Å; S32-Q58 VanDerWaalsContact CB-O 3.26Å; S32-Q58 WeakPolarHBondContact CB-O 3.15Å
33S90.9Very high90Very high43 Ų4357.5 Ų57.530%0.30131%0.305SS..THydrogen-bonded Turntrans58.330170.5-37.70000114.3L13 Q58 Q59L13-S33 WeakPolarHBondContact CD2-O 3.19Å; S33-Q58 PolarHBondContact N-O 3.06Å; S33-Q59 VanDerWaalsContact CA-O 3.29Å; S33-Q59 WeakPolarHBondContact CA-O 3.43Å; S33-Q59 PolarHBondContact N-O 2.94Å; S33-Q59 PolarHBondContact OG-OE1 3.29Å
34C89.4Confident90.3Very high0 Ų051.6 Ų51.60%028%0.278CS..SBendtrans-101.99.8-176.6-71.70000112.8Q6 L14 S32 L36 N60Q6-C34 PolarHBondContact NE2-O 2.76Å; L14-C34 HydrophobicContact CB-CB 4.37Å; L14-C34 HydrophobicContact CD1-CB 4.31Å; S32-C34 PolarHBondContact O-N 3.26Å; S32-C34 VanDerWaalsContact O-N 3.14Å; S32-C34 PolarHBondContact O-SG 3.47Å; C34-L36 HydrophobicContact CB-CD1 3.99Å; C34-L36 HydrophobicContact CB-CD2 4.23Å; C34-L36 HydrophobicContact CB-CG 3.67Å; C34-L36 PolarHBondContact O-N 3.04Å; C34-L36 VanDerWaalsContact O-N 3.15Å; C34-N60 WeakPolarHBondContact CA-OD1 3.47Å; C34-N60 PolarHBondContact N-OD1 3.19Å
35E89.7Confident90.8Very high88 Ų8847.9 Ų47.941%0.41127%0.272SS..  trans52.332.6-175.5-59.9177.1-179.600112.9Q6 S7 S10 N60Q6-E35 HydrophobicContact CG-CB 4.25Å; S7-E35 WeakPolarHBondContact CB-OE2 3.43Å; S7-E35 PolarHBondContact N-OE2 3.1Å; S10-E35 WeakPolarHBondContact OG-CG 3.41Å; S10-E35 PolarHBondContact OG-OE1 2.96Å; S10-E35 PolarHBondContact OG-OE2 3.48Å; E35-N60 PolarHBondContact N-OD1 2.81Å
36L89.2Confident91.2Very high10 Ų1043.1 Ų43.15%0.05224%0.239CC..  trans-73130.6-176.2-64.8173.6000110.9L14 L31 C34 N60 S61 L62L14-L36 HydrophobicContact CD1-CD1 4.22Å; L14-L36 HydrophobicContact CD1-CD2 4.04Å; L14-L36 HydrophobicContact CD2-CD2 3.78Å; L14-L36 HydrophobicContact CG-CD2 4.49Å; L31-L36 HydrophobicContact CB-CD1 4.02Å; L31-L36 HydrophobicContact CD1-CD1 4.49Å; C34-L36 HydrophobicContact CB-CD1 3.99Å; C34-L36 HydrophobicContact CB-CD2 4.23Å; C34-L36 HydrophobicContact CB-CG 3.67Å; C34-L36 PolarHBondContact O-N 3.04Å; C34-L36 VanDerWaalsContact O-N 3.15Å; L36-N60 HydrophobicContact CB-CB 4.11Å; L36-N60 PolarHBondContact N-OD1 3.47Å; L36-S61 CarbonylContact O-C 3.5Å; L36-S61 VanDerWaalsContact O-CA 3.32Å; L36-S61 WeakPolarHBondContact O-CA 3.36Å; L36-S61 PolarHBondContact O-N 3.35Å; L36-L62 HydrophobicContact CB-CD2 3.88Å; L36-L62 PolarHBondContact O-N 2.89Å
37K88.9Confident91.4Very high98 Ų9840.5 Ų40.543%0.42623%0.225SC..SBendtrans-90.3-28168.1-63.3-176.1-175.41760112.6S3 K4S3-K37 PolarHBondContact OG-NZ 2.94Å; K4-K37 WeakPolarHBondContact O-CE 3.24Å; K4-K37 PolarHBondContact O-NZ 3.22Å
38M90.4Very high91.5Very high121 Ų12142.7 Ų42.760%0.59623%0.232SC*.SBendtrans-139.2145.7177.2-66.3-17964.300107.8
39I92.5Very high91.5Very high1 Ų145.4 Ų45.41%0.00525%0.251CS..PPolyproline II helixtrans-70.8135.6171.7-55.9168.1000106.7D41 T43 F44 L57 L62 L65 S67I39-D41 PolarHBondContact O-N 3.04Å; I39-T43 HydrophobicContact CG2-CG2 3.9Å; I39-F44 HydrophobicContact CD1-CE1 3.98Å; I39-F44 HydrophobicContact CD1-CZ 3.76Å; I39-F44 HydrophobicContact CG2-CE1 4.25Å; I39-L57 HydrophobicContact CD1-CD1 3.64Å; I39-L57 HydrophobicContact CD1-CD2 4.48Å; I39-L57 HydrophobicContact CG1-CD1 4.35Å; I39-L57 HydrophobicContact CG1-CD2 4.39Å; I39-L62 HydrophobicContact CD1-CD1 4.28Å; I39-L62 HydrophobicContact CG1-CD1 3.82Å; I39-L62 HydrophobicContact CG1-CD2 3.85Å; I39-L62 HydrophobicContact CG1-CG 4.48Å; I39-L65 HydrophobicContact CD1-CD1 3.98Å; I39-S67 PolarHBondContact N-OG 2.65Å
40P90Very high91.3Very high42 Ų4247.9 Ų47.927%0.27326%0.264SS..PPolyproline II helixtrans-56.8137178.6-25.935000112.3M18 G42 T43M18-P40 HydrophobicContact CE-CB 4.34Å; M18-P40 HydrophobicContact CE-CG 3.95Å; P40-G42 PolarHBondContact O-N 3.45Å; P40-T43 VanDerWaalsContact O-CB 3.26Å; P40-T43 WeakPolarHBondContact O-CB 3.38Å; P40-T43 PolarHBondContact O-N 3.34Å; P40-T43 VanDerWaalsContact O-N 3.14Å; P40-T43 PolarHBondContact O-OG1 3.34Å
41D88Confident91.1Very high143 Ų14351.7 Ų51.777%0.76528%0.284SS*.THydrogen-bonded Turntrans-56.3136.6-179.7-69.1-2.4000111.4I39 T43I39-D41 PolarHBondContact O-N 3.04Å; D41-T43 VanDerWaalsContact C-N 3.27Å; D41-T43 PolarHBondContact O-N 2.98Å
42G88.8Confident91.1Very high35 Ų3552 Ų5236%0.36129%0.285SS..THydrogen-bonded Turntrans80.9-0.8-179.800000114.9P40 F44 S45 L46P40-G42 PolarHBondContact O-N 3.45Å; G42-F44 VanDerWaalsContact C-N 3.27Å; G42-F44 PolarHBondContact O-N 3.29Å; G42-S45 WeakPolarHBondContact O-CB 3.43Å; G42-S45 PolarHBondContact O-N 3.32Å; G42-S45 VanDerWaalsContact O-N 3.1Å; G42-L46 PolarHBondContact O-N 3.34Å
43T93.1Very high91.2Very high4 Ų453.2 Ų53.23%0.02529%0.292CS..Hα-helixtrans-53.4-43.9176.4-64.10000111.8F29 L31 I39 P40 D41 S45 L46 V47 G68F29-T43 HydrophobicContact CD1-CG2 4.46Å; F29-T43 HydrophobicContact CE1-CG2 3.83Å; F29-T43 HydrophobicContact CZ-CG2 4.01Å; L31-T43 HydrophobicContact CD1-CG2 3.95Å; I39-T43 HydrophobicContact CG2-CG2 3.9Å; P40-T43 VanDerWaalsContact O-CB 3.26Å; P40-T43 WeakPolarHBondContact O-CB 3.38Å; P40-T43 PolarHBondContact O-N 3.34Å; P40-T43 VanDerWaalsContact O-N 3.14Å; P40-T43 PolarHBondContact O-OG1 3.34Å; D41-T43 VanDerWaalsContact C-N 3.27Å; D41-T43 PolarHBondContact O-N 2.98Å; T43-S45 VanDerWaalsContact C-N 3.34Å; T43-S45 PolarHBondContact O-N 2.91Å; T43-L46 WeakPolarHBondContact O-CB 3.36Å; T43-L46 PolarHBondContact O-N 3.5Å; T43-L46 VanDerWaalsContact O-N 3.16Å; T43-V47 HydrophobicContact CG2-CG2 4.47Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 3.24Å; T43-G68 PolarHBondContact N-O 3.35Å
44F94.7Very high91.5Very high0 Ų054.1 Ų54.10%029%0.291CS..Hα-helixtrans-69.8-32.6-178.9-59.7-14.9000112.8I39 G42 L46 V47 K48 L55 L65 G68 G69 L71 C73 L74I39-F44 HydrophobicContact CD1-CE1 3.98Å; I39-F44 HydrophobicContact CD1-CZ 3.76Å; I39-F44 HydrophobicContact CG2-CE1 4.25Å; G42-F44 VanDerWaalsContact C-N 3.27Å; G42-F44 PolarHBondContact O-N 3.29Å; F44-L46 VanDerWaalsContact C-N 3.33Å; F44-V47 PolarHBondContact O-N 3.43Å; F44-K48 PolarHBondContact O-N 3.4Å; F44-K48 VanDerWaalsContact O-N 3.07Å; F44-L55 HydrophobicContact CD1-CD2 4.43Å; F44-L55 HydrophobicContact CE1-CD2 4.12Å; F44-L65 VanDerWaalsContact CE2-O 3.25Å; F44-L65 WeakPolarHBondContact CE2-O 3.33Å; F44-L65 HydrophobicContact CZ-CD1 4.13Å; F44-L65 HydrophobicContact CZ-CG 4.15Å; F44-L65 WeakPolarHBondContact CZ-O 3.44Å; F44-G68 VanDerWaalsContact CD2-C 3.42Å; F44-G68 WeakPolarHBondContact CG-O 3.44Å; F44-G68 PolarHBondContact N-O 3.46Å; F44-G69 VanDerWaalsContact CD2-O 3.32Å; F44-G69 WeakPolarHBondContact CD2-O 3.21Å; F44-L71 HydrophobicContact CE2-CD2 3.98Å; F44-C73 HydrophobicContact CB-CB 3.97Å; F44-C73 WeakPolarHBondContact O-CB 3.35Å; F44-L74 HydrophobicContact CB-CD2 3.76Å; F44-L74 HydrophobicContact CB-CG 4.03Å; F44-L74 HydrophobicContact CD1-CD1 3.79Å; F44-L74 HydrophobicContact CD1-CD2 3.84Å; F44-L74 HydrophobicContact CD1-CG 4.12Å; F44-L74 HydrophobicContact CD2-CD1 4.06Å; F44-L74 HydrophobicContact CD2-CG 4.24Å; F44-L74 HydrophobicContact CE1-CD1 3.87Å; F44-L74 HydrophobicContact CE2-CD1 4.15Å; F44-L74 HydrophobicContact CG-CD1 3.89Å; F44-L74 HydrophobicContact CG-CD2 3.87Å; F44-L74 HydrophobicContact CG-CG 3.88Å; F44-L74 HydrophobicContact CZ-CD1 4.05Å
45S92.5Very high91.9Very high56 Ų5654.1 Ų54.139%0.39229%0.291SS..Hα-helixtrans-66.3-39.4172-62.30000110.9G42 T43 K48 V49G42-S45 WeakPolarHBondContact O-CB 3.43Å; G42-S45 PolarHBondContact O-N 3.32Å; G42-S45 VanDerWaalsContact O-N 3.1Å; T43-S45 VanDerWaalsContact C-N 3.34Å; T43-S45 PolarHBondContact O-N 2.91Å; S45-K48 WeakPolarHBondContact O-CB 3.49Å; S45-K48 PolarHBondContact O-N 3.44Å; S45-V49 VanDerWaalsContact O-CG2 3.31Å; S45-V49 WeakPolarHBondContact O-CG2 3.25Å; S45-V49 PolarHBondContact O-N 2.96Å
46L91.6Very high92.2Very high36 Ų3652.6 Ų52.619%0.18828%0.281CS..Hα-helixtrans-66-43.1176.2-171.663.5000111.7R22 F29 G42 T43 F44 K48 V49 L50R22-L46 HydrophobicContact CG-CD2 4.17Å; F29-L46 HydrophobicContact CE2-CB 4.36Å; F29-L46 HydrophobicContact CE2-CD2 3.79Å; F29-L46 HydrophobicContact CE2-CG 3.96Å; F29-L46 HydrophobicContact CZ-CD2 3.92Å; G42-L46 PolarHBondContact O-N 3.34Å; T43-L46 WeakPolarHBondContact O-CB 3.36Å; T43-L46 PolarHBondContact O-N 3.5Å; T43-L46 VanDerWaalsContact O-N 3.16Å; F44-L46 VanDerWaalsContact C-N 3.33Å; L46-K48 VanDerWaalsContact C-N 3.27Å; L46-K48 PolarHBondContact O-N 2.83Å; L46-V49 PolarHBondContact O-N 2.95Å; L46-L50 HydrophobicContact CD1-CD1 3.72Å; L46-L50 HydrophobicContact CD1-CD2 4.48Å; L46-L50 HydrophobicContact CD1-CG 3.88Å; L46-L50 HydrophobicContact CD2-CD1 4.23Å; L46-L50 HydrophobicContact CG-CD1 3.61Å; L46-L50 HydrophobicContact CG-CG 4.13Å; L46-L50 VanDerWaalsContact O-CB 3.3Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.93Å
47V92.9Very high92.5Very high2 Ų252.1 Ų52.11%0.01228%0.279CS..Hα-helixtrans-54.1-44.8172.5164.70000111.2F29 T43 F44 L51 K52 L55 L74 I77F29-V47 HydrophobicContact CB-CG2 4.02Å; F29-V47 HydrophobicContact CD1-CG2 4.3Å; F29-V47 HydrophobicContact CD2-CB 4.45Å; F29-V47 HydrophobicContact CD2-CG2 3.43Å; F29-V47 VanDerWaalsContact CD2-CG2 3.43Å; F29-V47 HydrophobicContact CE2-CG2 3.97Å; F29-V47 HydrophobicContact CG-CG2 3.64Å; T43-V47 HydrophobicContact CG2-CG2 4.47Å; T43-V47 WeakPolarHBondContact O-CG2 3.39Å; T43-V47 PolarHBondContact O-N 3.24Å; F44-V47 PolarHBondContact O-N 3.43Å; V47-L51 PolarHBondContact O-N 2.79Å; V47-L51 VanDerWaalsContact O-N 3.11Å; V47-K52 HydrophobicContact CG1-CB 4.21Å; V47-K52 PolarHBondContact O-N 2.93Å; V47-L55 HydrophobicContact CG2-CD1 4.36Å; V47-L74 HydrophobicContact CB-CD2 3.92Å; V47-L74 HydrophobicContact CG1-CD2 3.54Å; V47-L74 HydrophobicContact CG2-CD2 4.42Å; V47-I77 HydrophobicContact CG1-CD1 3.77Å; V47-I77 HydrophobicContact CG1-CG1 4.24Å
48K92.7Very high92.8Very high102 Ų10249.1 Ų49.144%0.44327%0.267SS..Hα-helixtrans-62.2-50.3175.9-172.3179.5179.2171.50112.3F44 S45 L46 L50 L51 C73F44-K48 PolarHBondContact O-N 3.4Å; F44-K48 VanDerWaalsContact O-N 3.07Å; S45-K48 WeakPolarHBondContact O-CB 3.49Å; S45-K48 PolarHBondContact O-N 3.44Å; L46-K48 VanDerWaalsContact C-N 3.27Å; L46-K48 PolarHBondContact O-N 2.83Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 3.38Å; K48-L51 PolarHBondContact O-N 3.05Å; K48-C73 HydrophobicContact CB-CB 4.28Å; K48-C73 WeakPolarHBondContact CB-O 3.43Å; K48-C73 HydrophobicContact CD-CB 4.34Å
49V91.9Very high92.9Very high114 Ų11448.9 Ų48.969%0.69126%0.264SS*.Hα-helixtrans-65.4-38.1-176.3170.10000111.3S45 L46 L51S45-V49 VanDerWaalsContact O-CG2 3.31Å; S45-V49 WeakPolarHBondContact O-CG2 3.25Å; S45-V49 PolarHBondContact O-N 2.96Å; L46-V49 PolarHBondContact O-N 2.95Å; V49-L51 VanDerWaalsContact C-N 3.26Å; V49-L51 PolarHBondContact O-N 3.31Å
50L90.5Very high93Very high52 Ų5249.3 Ų49.327%0.27227%0.266SS..THydrogen-bonded Turntrans-84.62.8178.4-61.4178.3000113.3A21 R22 F29 L46 K48 K52A21-L50 WeakPolarHBondContact O-CD1 3.39Å; R22-L50 HydrophobicContact CG-CD1 4.14Å; F29-L50 HydrophobicContact CE2-CD1 4.32Å; L46-L50 HydrophobicContact CD1-CD1 3.72Å; L46-L50 HydrophobicContact CD1-CD2 4.48Å; L46-L50 HydrophobicContact CD1-CG 3.88Å; L46-L50 HydrophobicContact CD2-CD1 4.23Å; L46-L50 HydrophobicContact CG-CD1 3.61Å; L46-L50 HydrophobicContact CG-CG 4.13Å; L46-L50 VanDerWaalsContact O-CB 3.3Å; L46-L50 WeakPolarHBondContact O-CB 3.38Å; L46-L50 VanDerWaalsContact O-CG 3.27Å; L46-L50 WeakPolarHBondContact O-CG 3.47Å; L46-L50 PolarHBondContact O-N 2.93Å; K48-L50 VanDerWaalsContact C-N 3.32Å; K48-L50 PolarHBondContact O-N 3.38Å; L50-K52 HydrophobicContact CB-CD 4.34Å; L50-K52 HydrophobicContact CB-CG 3.9Å; L50-K52 PolarHBondContact O-N 3.5Å
51L90.6Very high93.1Very high129 Ų12949.2 Ų49.268%0.67527%0.267SS*.THydrogen-bonded Turntrans51.937.6179.5-57.4173.9000113.5V47 K48 V49V47-L51 PolarHBondContact O-N 2.79Å; V47-L51 VanDerWaalsContact O-N 3.11Å; K48-L51 PolarHBondContact O-N 3.05Å; V49-L51 VanDerWaalsContact C-N 3.26Å; V49-L51 PolarHBondContact O-N 3.31Å
52K92.6Very high93.4Very high6 Ų642.4 Ų42.43%0.02623%0.23CC..  trans-77.4138.9177.5-54.6-63.7-167.9161.50109.8A21 R24 D26 D27 I28 F29 V47 L50 I77A21-K52 WeakPolarHBondContact O-CE 3.4Å; A21-K52 PolarHBondContact O-NZ 3.06Å; A21-K52 VanDerWaalsContact O-NZ 3.13Å; R24-K52 PolarHBondContact O-NZ 2.92Å; D26-K52 WeakPolarHBondContact O-CD 3.3Å; D26-K52 WeakPolarHBondContact O-CE 3.24Å; D26-K52 PolarHBondContact O-NZ 2.92Å; D26-K52 IonicContact OD1-NZ 2.85Å; D26-K52 PolarHBondContact OD1-NZ 3.33Å; D27-K52 CarbonylContact O-C 3.12Å; D27-K52 WeakPolarHBondContact O-CA 3.37Å; I28-K52 WeakPolarHBondContact O-CD 3.41Å; I28-K52 WeakPolarHBondContact O-CE 3.34Å; I28-K52 PolarHBondContact O-NZ 3.38Å; F29-K52 HydrophobicContact CB-CB 4.04Å; F29-K52 HydrophobicContact CB-CG 4.1Å; F29-K52 HydrophobicContact CD2-CG 4Å; V47-K52 HydrophobicContact CG1-CB 4.21Å; V47-K52 PolarHBondContact O-N 2.93Å; L50-K52 HydrophobicContact CB-CD 4.34Å; L50-K52 HydrophobicContact CB-CG 3.9Å; L50-K52 PolarHBondContact O-N 3.5Å; K52-I77 WeakPolarHBondContact O-CD1 3.17Å
53T95.3Very high93.6Very high35 Ų3545.8 Ų45.822%0.21524%0.237CC..  trans-113.4-14.9-178.166.50000112.8D27 I77 V78 L79D27-T53 HydrophobicContact CB-CG2 4.42Å; D27-T53 WeakPolarHBondContact CB-OG1 3.45Å; D27-T53 PolarHBondContact O-N 3.35Å; D27-T53 PolarHBondContact OD2-OG1 3.46Å; T53-I77 CarbonylContact O-C 3.54Å; T53-I77 WeakPolarHBondContact O-CA 3.49Å; T53-V78 PolarHBondContact O-N 2.94Å; T53-L79 PolarHBondContact O-N 2.89Å; T53-L79 VanDerWaalsContact O-N 3.13Å
54K96.4Very high93.5Very high63 Ų6352.6 Ų52.627%0.27427%0.266SS..EExtended strand (participates in β ladder)trans-117.9117.3178.6-53.9-172.2-177.2100.40110.3D27 I28 F29 Y56 L79D27-K54 PolarHBondContact O-N 3Å; D27-K54 IonicContact OD1-NZ 3.55Å; D27-K54 PolarHBondContact OD1-NZ 2.9Å; D27-K54 IonicContact OD2-NZ 3.52Å; D27-K54 PolarHBondContact OD2-NZ 3.4Å; I28-K54 HydrophobicContact CG1-CB 4.28Å; I28-K54 HydrophobicContact CG1-CD 4.16Å; F29-K54 PolarHBondContact N-O 2.88Å; K54-Y56 HydrophobicContact CB-CE2 3.91Å; K54-L79 WeakPolarHBondContact CA-O 3.36Å; K54-L79 HydrophobicContact CB-CB 4.3Å; K54-L79 HydrophobicContact CG-CB 4.14Å
55L96.7Very high93.3Very high0 Ų052.6 Ų52.60%027%0.266CS..EExtended strand (participates in β ladder)trans-115.8115.7-178.7179.557.4000110.6F29 F44 V47 L57 L74 I77 L79 L80 D81F29-L55 HydrophobicContact CB-CD1 4.06Å; F29-L55 HydrophobicContact CD1-CD1 4.03Å; F29-L55 HydrophobicContact CG-CD1 4.31Å; F29-L55 WeakPolarHBondContact O-CA 3.28Å; F44-L55 HydrophobicContact CD1-CD2 4.43Å; F44-L55 HydrophobicContact CE1-CD2 4.12Å; V47-L55 HydrophobicContact CG2-CD1 4.36Å; L55-L57 HydrophobicContact CD1-CD2 4.15Å; L55-L57 HydrophobicContact CD1-CG 4.15Å; L55-L57 HydrophobicContact CD2-CD1 4.11Å; L55-L57 HydrophobicContact CG-CD1 4.15Å; L55-L57 HydrophobicContact CG-CG 4.03Å; L55-L74 HydrophobicContact CD2-CD1 4.01Å; L55-L74 HydrophobicContact CD2-CD2 4.36Å; L55-I77 HydrophobicContact CB-CD1 3.83Å; L55-L79 PolarHBondContact N-O 3.29Å; L55-L80 HydrophobicContact CB-CD1 4.08Å; L55-L80 HydrophobicContact CD2-CD1 3.9Å; L55-L80 HydrophobicContact CG-CD1 3.96Å; L55-D81 PolarHBondContact O-N 3Å
56Y96.6Very high93Very high55 Ų5553.9 Ų53.922%0.21627%0.268CS..EExtended strand (participates in β ladder)trans-107.8116.7179.9-63.9-78.6000110.1I28 F29 D30 L31 S32 K54 L79 D81I28-Y56 HydrophobicContact CG1-CE2 4.47Å; I28-Y56 HydrophobicContact CG2-CD2 3.8Å; I28-Y56 HydrophobicContact CG2-CE2 3.77Å; F29-Y56 PolarHBondContact O-N 3.28Å; D30-Y56 HydrophobicContact CB-CD2 4.39Å; L31-Y56 CarbonylContact C-O 3.17Å; L31-Y56 PolarHBondContact N-O 2.89Å; S32-Y56 PolarHBondContact N-O 2.73Å; K54-Y56 HydrophobicContact CB-CE2 3.91Å; Y56-L79 HydrophobicContact CD1-CD2 4.13Å; Y56-L79 HydrophobicContact CE1-CD2 3.55Å; Y56-D81 HydrophobicContact CD1-CB 3.87Å; Y56-D81 HydrophobicContact CE1-CB 4.42Å
57L95.9Very high92.7Very high0 Ų053.1 Ų53.10%027%0.266CS..  trans-127.210-178.6-64.3175.3000111.8L31 I39 L55 N60 L62 L65 L80 D81 I82 N85L31-L57 HydrophobicContact CB-CD2 4.04Å; L31-L57 HydrophobicContact CD1-CD2 4.09Å; I39-L57 HydrophobicContact CD1-CD1 3.64Å; I39-L57 HydrophobicContact CD1-CD2 4.48Å; I39-L57 HydrophobicContact CG1-CD1 4.35Å; I39-L57 HydrophobicContact CG1-CD2 4.39Å; L55-L57 HydrophobicContact CD1-CD2 4.15Å; L55-L57 HydrophobicContact CD1-CG 4.15Å; L55-L57 HydrophobicContact CD2-CD1 4.11Å; L55-L57 HydrophobicContact CG-CD1 4.15Å; L55-L57 HydrophobicContact CG-CG 4.03Å; L57-N60 PolarHBondContact O-ND2 2.92Å; L57-L62 HydrophobicContact CB-CD1 3.98Å; L57-L62 HydrophobicContact CD1-CD1 4.46Å; L57-L65 HydrophobicContact CD1-CD1 4Å; L57-L80 HydrophobicContact CD1-CD1 4.35Å; L57-D81 CarbonylContact C-O 3.54Å; L57-D81 WeakPolarHBondContact CA-O 3.18Å; L57-D81 WeakPolarHBondContact CB-O 3.42Å; L57-D81 PolarHBondContact N-O 3.35Å; L57-I82 HydrophobicContact CB-CG2 4.06Å; L57-I82 HydrophobicContact CD1-CG2 3.98Å; L57-N85 PolarHBondContact O-ND2 3.2Å
58Q95Very high92.2Very high36 Ų3653 Ų5317%0.16827%0.265CS..  trans-67.6159.6-174.370-81.813.200114.2S32 S33 N60 D81 S83S32-Q58 CarbonylContact C-O 3.2Å; S32-Q58 WeakPolarHBondContact CA-O 3.22Å; S32-Q58 VanDerWaalsContact CB-O 3.26Å; S32-Q58 WeakPolarHBondContact CB-O 3.15Å; S33-Q58 PolarHBondContact N-O 3.06Å; Q58-N60 PolarHBondContact O-ND2 3.29Å; Q58-D81 PolarHBondContact N-O 3.13Å; Q58-S83 CarbonylContact C-O 3.46Å; Q58-S83 WeakPolarHBondContact CA-O 3.22Å; Q58-S83 WeakPolarHBondContact CB-O 3.42Å; Q58-S83 VanDerWaalsContact CB-OG 3.32Å; Q58-S83 WeakPolarHBondContact CB-OG 3.45Å
59Q93.3Very high92Very high115 Ų11549.5 Ų49.554%0.53726%0.258SS..SBendtrans58.946.2177.8-56.8179.8-6.900112.9S33 S83 S84S33-Q59 VanDerWaalsContact CA-O 3.29Å; S33-Q59 WeakPolarHBondContact CA-O 3.43Å; S33-Q59 PolarHBondContact N-O 2.94Å; S33-Q59 PolarHBondContact OG-OE1 3.29Å; Q59-S83 PolarHBondContact N-O 3.21Å; Q59-S84 VanDerWaalsContact CA-O 3.24Å; Q59-S84 WeakPolarHBondContact CA-O 3.13Å; Q59-S84 PolarHBondContact N-O 3.1Å
60N93.7Very high92Very high11 Ų1151.6 Ų51.66%0.05926%0.258CS..SBendtrans-123.9-171.6174.1-74.8-65.1000109.3L31 C34 E35 L36 L57 Q58 L62 S84 N85L31-N60 PolarHBondContact O-ND2 3.32Å; C34-N60 WeakPolarHBondContact CA-OD1 3.47Å; C34-N60 PolarHBondContact N-OD1 3.19Å; E35-N60 PolarHBondContact N-OD1 2.81Å; L36-N60 HydrophobicContact CB-CB 4.11Å; L36-N60 PolarHBondContact N-OD1 3.47Å; L57-N60 PolarHBondContact O-ND2 2.92Å; Q58-N60 PolarHBondContact O-ND2 3.29Å; N60-L62 HydrophobicContact CB-CD1 4.29Å; N60-L62 HydrophobicContact CB-CG 3.89Å; N60-S84 PolarHBondContact N-O 3.39Å; N60-N85 VanDerWaalsContact CA-OD1 3.31Å; N60-N85 WeakPolarHBondContact CA-OD1 3.32Å; N60-N85 WeakPolarHBondContact CB-OD1 3.4Å; N60-N85 PolarHBondContact N-OD1 3.21Å; N60-N85 PolarHBondContact O-OD1 3.41Å; N60-N85 VanDerWaalsContact O-OD1 3.14Å
61S93.1Very high92Very high40 Ų4049.3 Ų49.328%0.2825%0.246SC..  trans-113.338.9174.2-58.40000110.5L36L36-S61 CarbonylContact O-C 3.5Å; L36-S61 VanDerWaalsContact O-CA 3.32Å; L36-S61 WeakPolarHBondContact O-CA 3.36Å; L36-S61 PolarHBondContact O-N 3.35Å
62L93.7Very high92Very high0 Ų046.1 Ų46.10%023%0.232CC..  trans-75.7134.4-177.8-59.6174.4000110.5L36 I39 L57 N60 N85 E86 F87L36-L62 HydrophobicContact CB-CD2 3.88Å; L36-L62 PolarHBondContact O-N 2.89Å; I39-L62 HydrophobicContact CD1-CD1 4.28Å; I39-L62 HydrophobicContact CG1-CD1 3.82Å; I39-L62 HydrophobicContact CG1-CD2 3.85Å; I39-L62 HydrophobicContact CG1-CG 4.48Å; L57-L62 HydrophobicContact CB-CD1 3.98Å; L57-L62 HydrophobicContact CD1-CD1 4.46Å; N60-L62 HydrophobicContact CB-CD1 4.29Å; N60-L62 HydrophobicContact CB-CG 3.89Å; L62-N85 HydrophobicContact CB-CB 4.4Å; L62-N85 VanDerWaalsContact CB-OD1 3.26Å; L62-N85 WeakPolarHBondContact CB-OD1 3.49Å; L62-N85 WeakPolarHBondContact CG-OD1 3.34Å; L62-N85 PolarHBondContact N-OD1 3.22Å; L62-E86 CarbonylContact O-C 3.55Å; L62-E86 VanDerWaalsContact O-C 3.28Å; L62-E86 WeakPolarHBondContact O-CA 3.47Å; L62-E86 PolarHBondContact O-N 3.49Å; L62-F87 HydrophobicContact CB-CE2 3.74Å; L62-F87 HydrophobicContact CB-CZ 3.91Å; L62-F87 HydrophobicContact CD1-CE2 4.48Å; L62-F87 PolarHBondContact O-N 2.92Å
63Q93.1Very high91.9Very high106 Ų10646.8 Ų46.850%0.49524%0.237SC..  trans-108.7-22.5178-65.1178.64.100113E86Q63-E86 HydrophobicContact CG-CB 3.85Å; Q63-E86 PolarHBondContact NE2-OE2 3.47Å
64K91.4Very high91.8Very high146 Ų14645.2 Ų45.264%0.63523%0.227SC*.  trans-145.2140.4-175.6-63.2-173.9-179.2-1760111.3S67 F87K64-S67 PolarHBondContact O-OG 2.94Å; K64-S67 VanDerWaalsContact O-OG 3.11Å; K64-F87 VanDerWaalsContact C-CE1 3.49Å
65L90.4Very high91.6Very high1 Ų146.3 Ų46.31%0.00523%0.233CC..G310 helixtrans-81.7-32.3-176.3-166.861.1000110.7I39 F44 L57 S67 G68 L71 L80 I82 F87 P91 L94I39-L65 HydrophobicContact CD1-CD1 3.98Å; F44-L65 VanDerWaalsContact CE2-O 3.25Å; F44-L65 WeakPolarHBondContact CE2-O 3.33Å; F44-L65 HydrophobicContact CZ-CD1 4.13Å; F44-L65 HydrophobicContact CZ-CG 4.15Å; F44-L65 WeakPolarHBondContact CZ-O 3.44Å; L57-L65 HydrophobicContact CD1-CD1 4Å; L65-S67 PolarHBondContact O-N 3.27Å; L65-G68 PolarHBondContact O-N 2.86Å; L65-L71 HydrophobicContact CD2-CD1 4.5Å; L65-L71 HydrophobicContact CD2-CD2 3.61Å; L65-L71 HydrophobicContact CG-CD2 3.93Å; L65-L80 HydrophobicContact CD2-CD2 4.2Å; L65-I82 HydrophobicContact CD1-CG2 4.17Å; L65-F87 HydrophobicContact CB-CE1 3.9Å; L65-F87 HydrophobicContact CB-CZ 4.41Å; L65-F87 HydrophobicContact CD1-CZ 4.28Å; L65-P91 HydrophobicContact CB-CG 4.25Å; L65-P91 HydrophobicContact CD2-CG 4.37Å; L65-L94 HydrophobicContact CD2-CD1 4.34Å
66D85.1Confident91.3Very high83 Ų8349.9 Ų49.944%0.44425%0.252SS..G310 helixtrans-64.5-11.1-174.8-48-31.5000114.1G68 G69D66-G68 PolarHBondContact O-N 3.13Å; D66-G69 PolarHBondContact O-N 3.45Å
67S84.8Confident91.3Very high19 Ų1947.3 Ų47.313%0.13324%0.242CC..G310 helixtrans-61.3-27.6175.856.20000113.1I39 K64 L65 G69I39-S67 PolarHBondContact N-OG 2.65Å; K64-S67 PolarHBondContact O-OG 2.94Å; K64-S67 VanDerWaalsContact O-OG 3.11Å; L65-S67 PolarHBondContact O-N 3.27Å; S67-G69 VanDerWaalsContact C-N 3.27Å; S67-G69 PolarHBondContact O-N 3.4Å
68G83.3Confident91.3Very high0 Ų049.3 Ų49.30%025%0.254CS..G310 helixtrans-78.3-6.9-179.900000115.1T43 F44 L65 D66T43-G68 PolarHBondContact N-O 3.35Å; F44-G68 VanDerWaalsContact CD2-C 3.42Å; F44-G68 WeakPolarHBondContact CG-O 3.44Å; F44-G68 PolarHBondContact N-O 3.46Å; L65-G68 PolarHBondContact O-N 2.86Å; D66-G68 PolarHBondContact O-N 3.13Å
69G89.5Confident91.5Very high28 Ų2849 Ų4929%0.28925%0.254SS..SBendtrans121.5-161.4-174.500000112.8F44 D66 S67F44-G69 VanDerWaalsContact CD2-O 3.32Å; F44-G69 WeakPolarHBondContact CD2-O 3.21Å; D66-G69 PolarHBondContact O-N 3.45Å; S67-G69 VanDerWaalsContact C-N 3.27Å; S67-G69 PolarHBondContact O-N 3.4Å
70K91.1Very high91.7Very high159 Ų15943.6 Ų43.669%0.69123%0.228SC*.  trans-76.5133179.3-61.6-176.9178.3-177.70111.3T72 C73K70-T72 WeakPolarHBondContact CB-OG1 3.47Å; K70-T72 PolarHBondContact O-N 3.02Å; K70-C73 VanDerWaalsContact O-CB 3.32Å; K70-C73 WeakPolarHBondContact O-CB 3.41Å; K70-C73 PolarHBondContact O-N 3.26Å
71L90.2Very high91.9Very high4 Ų444.1 Ų44.12%0.02123%0.231CC..G310 helixtrans-65.1-24.6177.9-71.8168.3000113.3F44 L65 C73 L74 P91 S93 E96 L97F44-L71 HydrophobicContact CE2-CD2 3.98Å; L65-L71 HydrophobicContact CD2-CD1 4.5Å; L65-L71 HydrophobicContact CD2-CD2 3.61Å; L65-L71 HydrophobicContact CG-CD2 3.93Å; L71-C73 PolarHBondContact O-N 2.81Å; L71-L74 HydrophobicContact CD2-CD1 3.91Å; L71-L74 WeakPolarHBondContact O-CA 3.47Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.3Å; L71-P91 HydrophobicContact CD1-CB 4.25Å; L71-P91 HydrophobicContact CD1-CG 3.59Å; L71-S93 WeakPolarHBondContact CD1-OG 3.33Å; L71-E96 WeakPolarHBondContact CB-OE2 3.29Å; L71-L97 HydrophobicContact CB-CD1 3.99Å; L71-L97 HydrophobicContact CD2-CD1 4.1Å
72T90.4Very high92.1Very high61 Ų6142.2 Ų42.237%0.37422%0.218SC..G310 helixtrans-50.7-26.7168.253.40000113.5K70 L74 E96K70-T72 WeakPolarHBondContact CB-OG1 3.47Å; K70-T72 PolarHBondContact O-N 3.02Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 2.97Å; T72-E96 WeakPolarHBondContact CA-OE2 3.36Å; T72-E96 HydrophobicContact CG2-CG 4.35Å; T72-E96 VanDerWaalsContact CG2-OE1 3.23Å; T72-E96 WeakPolarHBondContact CG2-OE1 3.43Å; T72-E96 WeakPolarHBondContact CG2-OE2 3.39Å; T72-E96 PolarHBondContact N-OE2 3.3Å
73C91.5Very high92.2Very high20 Ų2042.7 Ų42.714%0.13522%0.221CC..G310 helixtrans-73.6-18175.8-64.30000113.3F44 K48 K70 L71F44-C73 HydrophobicContact CB-CB 3.97Å; F44-C73 WeakPolarHBondContact O-CB 3.35Å; K48-C73 HydrophobicContact CB-CB 4.28Å; K48-C73 WeakPolarHBondContact CB-O 3.43Å; K48-C73 HydrophobicContact CD-CB 4.34Å; K70-C73 VanDerWaalsContact O-CB 3.32Å; K70-C73 WeakPolarHBondContact O-CB 3.41Å; K70-C73 PolarHBondContact O-N 3.26Å; L71-C73 PolarHBondContact O-N 2.81Å
74L92.8Very high92.4Very high2 Ų239.5 Ų39.51%0.0121%0.21CC..G310 helixtrans-98.515.6-178.5-56.4-173.5000113.5F44 V47 L55 L71 T72 N76 I77 L97F44-L74 HydrophobicContact CB-CD2 3.76Å; F44-L74 HydrophobicContact CB-CG 4.03Å; F44-L74 HydrophobicContact CD1-CD1 3.79Å; F44-L74 HydrophobicContact CD1-CD2 3.84Å; F44-L74 HydrophobicContact CD1-CG 4.12Å; F44-L74 HydrophobicContact CD2-CD1 4.06Å; F44-L74 HydrophobicContact CD2-CG 4.24Å; F44-L74 HydrophobicContact CE1-CD1 3.87Å; F44-L74 HydrophobicContact CE2-CD1 4.15Å; F44-L74 HydrophobicContact CG-CD1 3.89Å; F44-L74 HydrophobicContact CG-CD2 3.87Å; F44-L74 HydrophobicContact CG-CG 3.88Å; F44-L74 HydrophobicContact CZ-CD1 4.05Å; V47-L74 HydrophobicContact CB-CD2 3.92Å; V47-L74 HydrophobicContact CG1-CD2 3.54Å; V47-L74 HydrophobicContact CG2-CD2 4.42Å; L55-L74 HydrophobicContact CD2-CD1 4.01Å; L55-L74 HydrophobicContact CD2-CD2 4.36Å; L71-L74 HydrophobicContact CD2-CD1 3.91Å; L71-L74 WeakPolarHBondContact O-CA 3.47Å; L71-L74 WeakPolarHBondContact O-CB 3.49Å; L71-L74 PolarHBondContact O-N 3.3Å; T72-L74 VanDerWaalsContact C-N 3.27Å; T72-L74 PolarHBondContact O-N 2.97Å; L74-N76 PolarHBondContact O-N 3.26Å; L74-I77 HydrophobicContact CB-CB 4.48Å; L74-I77 HydrophobicContact CB-CG1 3.89Å; L74-I77 HydrophobicContact CD2-CG1 4.06Å; L74-I77 HydrophobicContact CG-CG1 4.45Å; L74-I77 WeakPolarHBondContact O-CB 3.45Å; L74-I77 PolarHBondContact O-N 3.5Å; L74-L97 HydrophobicContact CB-CD1 4.27Å; L74-L97 HydrophobicContact CB-CG 4.15Å
75Q91.4Very high92.6Very high86 Ų8633 Ų3340%0.40218%0.183SC..THydrogen-bonded Turntrans-53.8-26.9-176.960.3174.830.300114.7C99Q75-C99 WeakPolarHBondContact O-CB 3.39Å; Q75-C99 PolarHBondContact O-N 3.07Å; Q75-C99 PolarHBondContact O-SG 3.22Å
76N91.7Very high92.9Very high76 Ų7636.6 Ų36.641%0.40620%0.2SC..THydrogen-bonded Turntrans-983.9-178.2-62.8-13.1000113.5L74 V78L74-N76 PolarHBondContact O-N 3.26Å; N76-V78 PolarHBondContact O-N 2.75Å
77I95.7Very high93.4Very high1 Ų132.7 Ų32.71%0.00518%0.179CC..  trans-68.6131.3176.2-73.4-69.2000109.4V47 K52 T53 L55 L74 L79 L80 C99 L100V47-I77 HydrophobicContact CG1-CD1 3.77Å; V47-I77 HydrophobicContact CG1-CG1 4.24Å; K52-I77 WeakPolarHBondContact O-CD1 3.17Å; T53-I77 CarbonylContact O-C 3.54Å; T53-I77 WeakPolarHBondContact O-CA 3.49Å; L55-I77 HydrophobicContact CB-CD1 3.83Å; L74-I77 HydrophobicContact CB-CB 4.48Å; L74-I77 HydrophobicContact CB-CG1 3.89Å; L74-I77 HydrophobicContact CD2-CG1 4.06Å; L74-I77 HydrophobicContact CG-CG1 4.45Å; L74-I77 WeakPolarHBondContact O-CB 3.45Å; L74-I77 PolarHBondContact O-N 3.5Å; I77-L79 WeakPolarHBondContact CG2-O 3.25Å; I77-L80 HydrophobicContact CG2-CB 4.28Å; I77-C99 CarbonylContact O-C 3.43Å; I77-L100 HydrophobicContact CG2-CD1 3.75Å; I77-L100 VanDerWaalsContact O-CA 3.29Å; I77-L100 WeakPolarHBondContact O-CA 3.4Å; I77-L100 PolarHBondContact O-N 3.4Å
78V97.2Very high93.9Very high41 Ų4137.7 Ų37.725%0.24820%0.2CC..SBendtrans-101.1-35.2176.6177.30000111T53 N76 Q101 V102T53-V78 PolarHBondContact O-N 2.94Å; N76-V78 PolarHBondContact O-N 2.75Å; V78-Q101 HydrophobicContact CG1-CB 3.88Å; V78-Q101 HydrophobicContact CG1-CG 3.9Å; V78-Q101 PolarHBondContact O-N 2.81Å; V78-V102 PolarHBondContact O-N 2.74Å
79L98Very high94.4Very high30 Ų3044.4 Ų44.416%0.15723%0.231CC..EExtended strand (participates in β ladder)trans-127.7125.3179.3-175.2156.7000110.8T53 K54 L55 Y56 I77 D81 V102T53-L79 PolarHBondContact O-N 2.89Å; T53-L79 VanDerWaalsContact O-N 3.13Å; K54-L79 WeakPolarHBondContact CA-O 3.36Å; K54-L79 HydrophobicContact CB-CB 4.3Å; K54-L79 HydrophobicContact CG-CB 4.14Å; L55-L79 PolarHBondContact N-O 3.29Å; Y56-L79 HydrophobicContact CD1-CD2 4.13Å; Y56-L79 HydrophobicContact CE1-CD2 3.55Å; I77-L79 WeakPolarHBondContact CG2-O 3.25Å; L79-D81 HydrophobicContact CD2-CB 4.28Å; L79-V102 WeakPolarHBondContact CA-O 3.35Å; L79-V102 HydrophobicContact CB-CB 4.14Å; L79-V102 HydrophobicContact CD1-CB 4.16Å; L79-V102 HydrophobicContact CD1-CG1 3.95Å; L79-V102 HydrophobicContact CG-CB 3.87Å; L79-V102 HydrophobicContact CG-CG1 3.86Å
80L97.8Very high94.6Very high1 Ų143.4 Ų43.41%0.00522%0.219CC..EExtended strand (participates in β ladder)trans-124114.6172.2179.259.8000109.8L55 L57 L65 I77 I82 L97 L100 V102 L103 N104L55-L80 HydrophobicContact CB-CD1 4.08Å; L55-L80 HydrophobicContact CD2-CD1 3.9Å; L55-L80 HydrophobicContact CG-CD1 3.96Å; L57-L80 HydrophobicContact CD1-CD1 4.35Å; L65-L80 HydrophobicContact CD2-CD2 4.2Å; I77-L80 HydrophobicContact CG2-CB 4.28Å; L80-I82 HydrophobicContact CD1-CG2 3.83Å; L80-I82 HydrophobicContact CD2-CG2 4.44Å; L80-I82 HydrophobicContact CG-CG2 4Å; L80-L97 HydrophobicContact CD2-CD2 4.01Å; L80-L100 HydrophobicContact CB-CD1 3.75Å; L80-V102 PolarHBondContact N-O 3.45Å; L80-L103 HydrophobicContact CB-CD1 4.14Å; L80-L103 HydrophobicContact CD2-CD1 3.99Å; L80-L103 HydrophobicContact CG-CD1 4.09Å; L80-L103 WeakPolarHBondContact O-CA 3.38Å; L80-N104 PolarHBondContact O-N 3.32Å
81D98.1Very high94.7Very high22 Ų2236.6 Ų36.612%0.11819%0.191CC..EExtended strand (participates in β ladder)trans-110111.5172.2-163-27.3000110.2L55 Y56 L57 Q58 L79 S83 N104L55-D81 PolarHBondContact O-N 3Å; Y56-D81 HydrophobicContact CD1-CB 3.87Å; Y56-D81 HydrophobicContact CE1-CB 4.42Å; L57-D81 CarbonylContact C-O 3.54Å; L57-D81 WeakPolarHBondContact CA-O 3.18Å; L57-D81 WeakPolarHBondContact CB-O 3.42Å; L57-D81 PolarHBondContact N-O 3.35Å; Q58-D81 PolarHBondContact N-O 3.13Å; L79-D81 HydrophobicContact CD2-CB 4.28Å; D81-S83 WeakPolarHBondContact OD1-CB 3.49Å; D81-S83 PolarHBondContact OD1-N 3Å; D81-S83 PolarHBondContact OD1-OG 3.34Å; D81-N104 HydrophobicContact CB-CB 4.32Å; D81-N104 PolarHBondContact OD1-ND2 3.34Å; D81-N104 PolarHBondContact OD2-ND2 3.41Å
82I97Very high94.7Very high1 Ų141.4 Ų41.41%0.00522%0.217CC..  trans-118.520.2176.256.4169.2000110.8L57 L65 L80 N85 F87 L90 N104 A105 N108L57-I82 HydrophobicContact CB-CG2 4.06Å; L57-I82 HydrophobicContact CD1-CG2 3.98Å; L65-I82 HydrophobicContact CD1-CG2 4.17Å; L80-I82 HydrophobicContact CD1-CG2 3.83Å; L80-I82 HydrophobicContact CD2-CG2 4.44Å; L80-I82 HydrophobicContact CG-CG2 4Å; I82-N85 PolarHBondContact O-ND2 2.67Å; I82-F87 HydrophobicContact CB-CD2 4.42Å; I82-F87 HydrophobicContact CB-CE2 3.87Å; I82-F87 HydrophobicContact CB-CZ 4.4Å; I82-F87 HydrophobicContact CD1-CD2 4.35Å; I82-F87 HydrophobicContact CD1-CE2 4.3Å; I82-F87 HydrophobicContact CD1-CZ 4.48Å; I82-F87 HydrophobicContact CG2-CE2 4.3Å; I82-F87 HydrophobicContact CG2-CZ 4.38Å; I82-L90 HydrophobicContact CD1-CD2 3.53Å; I82-N104 WeakPolarHBondContact CG1-O 3.47Å; I82-N104 PolarHBondContact N-O 3.25Å; I82-A105 HydrophobicContact CD1-CB 3.83Å; I82-A105 HydrophobicContact CG1-CB 3.79Å; I82-N108 PolarHBondContact O-ND2 3.48Å
83S96.7Very high94.8Very high10 Ų1040.2 Ų40.27%0.0721%0.211CC..  trans-66.1158.9-176.562.10000113.5Q58 Q59 D81 N85 N104 S106Q58-S83 CarbonylContact C-O 3.46Å; Q58-S83 WeakPolarHBondContact CA-O 3.22Å; Q58-S83 WeakPolarHBondContact CB-O 3.42Å; Q58-S83 VanDerWaalsContact CB-OG 3.32Å; Q58-S83 WeakPolarHBondContact CB-OG 3.45Å; Q59-S83 PolarHBondContact N-O 3.21Å; D81-S83 WeakPolarHBondContact OD1-CB 3.49Å; D81-S83 PolarHBondContact OD1-N 3Å; D81-S83 PolarHBondContact OD1-OG 3.34Å; S83-N85 PolarHBondContact O-ND2 3.4Å; S83-N104 PolarHBondContact N-O 3.38Å; S83-N104 PolarHBondContact OG-ND2 3.36Å; S83-S106 CarbonylContact C-O 3.34Å; S83-S106 WeakPolarHBondContact CA-O 3.15Å; S83-S106 WeakPolarHBondContact CB-O 3.3Å; S83-S106 VanDerWaalsContact CB-OG 3.3Å; S83-S106 WeakPolarHBondContact CB-OG 3.44Å
84S96.6Very high94.8Very high38 Ų3839.3 Ų39.327%0.26621%0.205SC..SBendtrans53.856.7-179.1-53.40000112.3Q59 N60 S106 K107Q59-S84 VanDerWaalsContact CA-O 3.24Å; Q59-S84 WeakPolarHBondContact CA-O 3.13Å; Q59-S84 PolarHBondContact N-O 3.1Å; N60-S84 PolarHBondContact N-O 3.39Å; S84-S106 PolarHBondContact N-O 3.46Å; S84-K107 VanDerWaalsContact CA-O 3.25Å; S84-K107 WeakPolarHBondContact CA-O 3.38Å; S84-K107 PolarHBondContact N-O 3.4Å
85N96Very high94.7Very high11 Ų1144.5 Ų44.56%0.05923%0.225CC..SBendtrans-133.6-167.6177.4-87.1-73.2000109.7L57 N60 L62 I82 S83 F87 K107 N108L57-N85 PolarHBondContact O-ND2 3.2Å; N60-N85 VanDerWaalsContact CA-OD1 3.31Å; N60-N85 WeakPolarHBondContact CA-OD1 3.32Å; N60-N85 WeakPolarHBondContact CB-OD1 3.4Å; N60-N85 PolarHBondContact N-OD1 3.21Å; N60-N85 PolarHBondContact O-OD1 3.41Å; N60-N85 VanDerWaalsContact O-OD1 3.14Å; L62-N85 HydrophobicContact CB-CB 4.4Å; L62-N85 VanDerWaalsContact CB-OD1 3.26Å; L62-N85 WeakPolarHBondContact CB-OD1 3.49Å; L62-N85 WeakPolarHBondContact CG-OD1 3.34Å; L62-N85 PolarHBondContact N-OD1 3.22Å; I82-N85 PolarHBondContact O-ND2 2.67Å; S83-N85 PolarHBondContact O-ND2 3.4Å; N85-F87 HydrophobicContact CB-CD2 3.55Å; N85-F87 HydrophobicContact CB-CE2 3.76Å; N85-K107 PolarHBondContact N-O 3.49Å; N85-N108 VanDerWaalsContact CA-OD1 3.28Å; N85-N108 WeakPolarHBondContact CA-OD1 3.21Å; N85-N108 WeakPolarHBondContact CB-OD1 3.44Å; N85-N108 PolarHBondContact N-OD1 3.4Å; N85-N108 PolarHBondContact O-OD1 3.38Å; N85-N108 VanDerWaalsContact O-OD1 3.11Å
86E95.8Very high94.8Very high76 Ų7642.4 Ų42.436%0.35522%0.215SC..  trans-114.428.7-178.9-62.5179.8-172.700112.2L62 Q63 Q88 N108L62-E86 CarbonylContact O-C 3.55Å; L62-E86 VanDerWaalsContact O-C 3.28Å; L62-E86 WeakPolarHBondContact O-CA 3.47Å; L62-E86 PolarHBondContact O-N 3.49Å; Q63-E86 HydrophobicContact CG-CB 3.85Å; Q63-E86 PolarHBondContact NE2-OE2 3.47Å; E86-Q88 PolarHBondContact O-N 2.93Å; E86-N108 PolarHBondContact N-OD1 3.28Å
87F96Very high94.9Very high1 Ų138.8 Ų38.80%0.00420%0.196CC..  trans-66.2121.4-179.6-74.7-89.3000111.2L62 K64 L65 I82 N85 N108 L109 L110L62-F87 HydrophobicContact CB-CE2 3.74Å; L62-F87 HydrophobicContact CB-CZ 3.91Å; L62-F87 HydrophobicContact CD1-CE2 4.48Å; L62-F87 PolarHBondContact O-N 2.92Å; K64-F87 VanDerWaalsContact C-CE1 3.49Å; L65-F87 HydrophobicContact CB-CE1 3.9Å; L65-F87 HydrophobicContact CB-CZ 4.41Å; L65-F87 HydrophobicContact CD1-CZ 4.28Å; I82-F87 HydrophobicContact CB-CD2 4.42Å; I82-F87 HydrophobicContact CB-CE2 3.87Å; I82-F87 HydrophobicContact CB-CZ 4.4Å; I82-F87 HydrophobicContact CD1-CD2 4.35Å; I82-F87 HydrophobicContact CD1-CE2 4.3Å; I82-F87 HydrophobicContact CD1-CZ 4.48Å; I82-F87 HydrophobicContact CG2-CE2 4.3Å; I82-F87 HydrophobicContact CG2-CZ 4.38Å; N85-F87 HydrophobicContact CB-CD2 3.55Å; N85-F87 HydrophobicContact CB-CE2 3.76Å; F87-N108 HydrophobicContact CB-CB 4.22Å; F87-N108 WeakPolarHBondContact CB-OD1 3.49Å; F87-N108 WeakPolarHBondContact CD2-OD1 3.37Å; F87-N108 PolarHBondContact N-OD1 2.93Å; F87-L109 CarbonylContact O-C 3.49Å; F87-L109 VanDerWaalsContact O-CA 3.26Å; F87-L109 WeakPolarHBondContact O-CA 3.26Å; F87-L109 WeakPolarHBondContact O-CB 3.29Å; F87-L109 PolarHBondContact O-N 2.95Å; F87-L110 HydrophobicContact CB-CD2 3.94Å; F87-L110 PolarHBondContact O-N 2.85Å; F87-L110 VanDerWaalsContact O-N 3.15Å
88Q94.5Very high94.7Very high123 Ų12345.8 Ų45.858%0.57523%0.227SC*.SBendtrans-89.2-28.3174.5-64.1179.97.700112.6E86 L109 L110 S111E86-Q88 PolarHBondContact O-N 2.93Å; Q88-L109 HydrophobicContact CG-CB 4.32Å; Q88-L110 WeakPolarHBondContact O-CA 3.37Å; Q88-S111 PolarHBondContact O-N 3.46Å
89Q93.9Very high94.5Very high142 Ų14246.3 Ų46.366%0.66423%0.231SC*.  trans-150.9151.9177.564-174.330.400109.6
90L94.5Very high94.5Very high7 Ų744.9 Ų44.94%0.03722%0.224CC..  trans-89.7146.6166.1-59.8177.8000109.1I82 L94 L103 L110 L113 P114I82-L90 HydrophobicContact CD1-CD2 3.53Å; L90-L94 HydrophobicContact CB-CD2 4.43Å; L90-L94 HydrophobicContact CD1-CD2 4.06Å; L90-L103 HydrophobicContact CD1-CD2 4.43Å; L90-L110 HydrophobicContact CD1-CD1 4.3Å; L90-L110 HydrophobicContact CD2-CD1 4.47Å; L90-L110 HydrophobicContact CD2-CD2 4.14Å; L90-L110 HydrophobicContact CG-CD1 4.18Å; L90-L110 HydrophobicContact CG-CD2 3.95Å; L90-L113 HydrophobicContact CD1-CD2 4.14Å; L90-P114 HydrophobicContact CB-CG 4.04Å
91P92.7Very high94.5Very high15 Ų1548.1 Ų48.110%0.09724%0.239CC..  trans-71.4146.9-179.129.8-34.4000111.5L65 L71 S93 L94L65-P91 HydrophobicContact CB-CG 4.25Å; L65-P91 HydrophobicContact CD2-CG 4.37Å; L71-P91 HydrophobicContact CD1-CB 4.25Å; L71-P91 HydrophobicContact CD1-CG 3.59Å; P91-S93 PolarHBondContact O-N 3.17Å; P91-L94 VanDerWaalsContact O-CB 3.25Å; P91-L94 WeakPolarHBondContact O-CB 3.26Å; P91-L94 PolarHBondContact O-N 3.21Å; P91-L94 VanDerWaalsContact O-N 3.08Å
92D90.9Very high94.5Very high106 Ų10649 Ų4957%0.56725%0.245SC*.G310 helixtrans-62.4-30.5178.1-70.6-32.7000112.1L94 Y95 P114 T116D92-L94 PolarHBondContact O-N 3.16Å; D92-Y95 VanDerWaalsContact O-CD1 3.29Å; D92-Y95 WeakPolarHBondContact O-CD1 3.31Å; D92-P114 WeakPolarHBondContact OD1-CB 3.39Å; D92-T116 HydrophobicContact CB-CG2 4.41Å; D92-T116 WeakPolarHBondContact O-CB 3.24Å; D92-T116 PolarHBondContact O-OG1 3.4Å
93S91.1Very high94.5Very high36 Ų3648.9 Ų48.925%0.25224%0.244SC..G310 helixtrans-66.32.7174.939.90000114.5L71 P91 Y95 E96L71-S93 WeakPolarHBondContact CD1-OG 3.33Å; P91-S93 PolarHBondContact O-N 3.17Å; S93-Y95 PolarHBondContact O-N 3.05Å; S93-Y95 VanDerWaalsContact O-N 3.14Å; S93-E96 WeakPolarHBondContact O-CB 3.34Å; S93-E96 WeakPolarHBondContact O-CG 3.38Å; S93-E96 PolarHBondContact O-N 3.32Å; S93-E96 VanDerWaalsContact O-N 3.09Å
94L92.7Very high94.6Very high1 Ų149.6 Ų49.61%0.00525%0.247CC..G310 helixtrans-57.5-25.1172.4-166.470.3000112.8L65 L90 P91 D92 E96 L97 L103 I117 L120L65-L94 HydrophobicContact CD2-CD1 4.34Å; L90-L94 HydrophobicContact CB-CD2 4.43Å; L90-L94 HydrophobicContact CD1-CD2 4.06Å; P91-L94 VanDerWaalsContact O-CB 3.25Å; P91-L94 WeakPolarHBondContact O-CB 3.26Å; P91-L94 PolarHBondContact O-N 3.21Å; P91-L94 VanDerWaalsContact O-N 3.08Å; D92-L94 PolarHBondContact O-N 3.16Å; L94-E96 PolarHBondContact O-N 3.27Å; L94-L97 HydrophobicContact CD1-CD2 3.99Å; L94-L97 PolarHBondContact O-N 3.04Å; L94-L97 VanDerWaalsContact O-N 3.15Å; L94-L103 HydrophobicContact CD2-CD2 4.1Å; L94-I117 HydrophobicContact CD2-CG1 4.37Å; L94-L120 HydrophobicContact CD2-CD1 4.25Å; L94-L120 HydrophobicContact CG-CD1 4.36Å
95Y90.9Very high94.6Very high111 Ų11147.8 Ų47.844%0.43524%0.235SC..G310 helixtrans-58.9-17.6175.677.5-93.6000114D92 S93 L97 T116D92-Y95 VanDerWaalsContact O-CD1 3.29Å; D92-Y95 WeakPolarHBondContact O-CD1 3.31Å; S93-Y95 PolarHBondContact O-N 3.05Å; S93-Y95 VanDerWaalsContact O-N 3.14Å; Y95-L97 PolarHBondContact O-N 3.01Å; Y95-T116 HydrophobicContact CD1-CG2 4.5Å
96E92.8Very high94.7Very high41 Ų4147.8 Ų47.819%0.19224%0.235CC..G310 helixtrans-68.7-18.7179-64.7-179.8160.900112.6L71 T72 S93 L94 K98L71-E96 WeakPolarHBondContact CB-OE2 3.29Å; T72-E96 WeakPolarHBondContact CA-OE2 3.36Å; T72-E96 HydrophobicContact CG2-CG 4.35Å; T72-E96 VanDerWaalsContact CG2-OE1 3.23Å; T72-E96 WeakPolarHBondContact CG2-OE1 3.43Å; T72-E96 WeakPolarHBondContact CG2-OE2 3.39Å; T72-E96 PolarHBondContact N-OE2 3.3Å; S93-E96 WeakPolarHBondContact O-CB 3.34Å; S93-E96 WeakPolarHBondContact O-CG 3.38Å; S93-E96 PolarHBondContact O-N 3.32Å; S93-E96 VanDerWaalsContact O-N 3.09Å; L94-E96 PolarHBondContact O-N 3.27Å; E96-K98 PolarHBondContact O-N 3.33Å
97L94.5Very high94.7Very high0 Ų049.6 Ų49.60%024%0.242CC..  trans-8462.3-179-73.760.6000110.6L71 L74 L80 L94 Y95 C99 L100 L120L71-L97 HydrophobicContact CB-CD1 3.99Å; L71-L97 HydrophobicContact CD2-CD1 4.1Å; L74-L97 HydrophobicContact CB-CD1 4.27Å; L74-L97 HydrophobicContact CB-CG 4.15Å; L80-L97 HydrophobicContact CD2-CD2 4.01Å; L94-L97 HydrophobicContact CD1-CD2 3.99Å; L94-L97 PolarHBondContact O-N 3.04Å; L94-L97 VanDerWaalsContact O-N 3.15Å; Y95-L97 PolarHBondContact O-N 3.01Å; L97-C99 PolarHBondContact O-N 2.99Å; L97-C99 VanDerWaalsContact O-N 3.13Å; L97-L100 HydrophobicContact CB-CB 4.06Å; L97-L100 HydrophobicContact CB-CD2 4.44Å; L97-L100 HydrophobicContact CD2-CD2 4.18Å; L97-L100 VanDerWaalsContact O-CB 3.24Å; L97-L100 WeakPolarHBondContact O-CB 3.35Å; L97-L100 PolarHBondContact O-N 3.02Å; L97-L120 HydrophobicContact CB-CD2 4.35Å; L97-L120 VanDerWaalsContact O-CD2 3.32Å; L97-L120 WeakPolarHBondContact O-CD2 3.29Å
98K90.2Very high94.8Very high149 Ų14949.9 Ų49.965%0.64824%0.244SC*.THydrogen-bonded Turntrans-59.8-26.8-170.8-63.4-177-179.6-177.90114.8E96 Q122E96-K98 PolarHBondContact O-N 3.33Å; K98-Q122 WeakPolarHBondContact O-CG 3.15Å
99C94.6Very high94.9Very high51 Ų5146.8 Ų46.835%0.34523%0.231SC..THydrogen-bonded Turntrans-92.33179.5-62.60000114Q75 I77 L97 Q101Q75-C99 WeakPolarHBondContact O-CB 3.39Å; Q75-C99 PolarHBondContact O-N 3.07Å; Q75-C99 PolarHBondContact O-SG 3.22Å; I77-C99 CarbonylContact O-C 3.43Å; L97-C99 PolarHBondContact O-N 2.99Å; L97-C99 VanDerWaalsContact O-N 3.13Å; C99-Q101 PolarHBondContact O-N 3Å
100L96.9Very high95Very high0 Ų040 Ų400%020%0.199CC..  trans-68.3121.2-173.5-16869.8000111.3I77 L80 L97 L103 L120 Q122 L123I77-L100 HydrophobicContact CG2-CD1 3.75Å; I77-L100 VanDerWaalsContact O-CA 3.29Å; I77-L100 WeakPolarHBondContact O-CA 3.4Å; I77-L100 PolarHBondContact O-N 3.4Å; L80-L100 HydrophobicContact CB-CD1 3.75Å; L97-L100 HydrophobicContact CB-CB 4.06Å; L97-L100 HydrophobicContact CB-CD2 4.44Å; L97-L100 HydrophobicContact CD2-CD2 4.18Å; L97-L100 VanDerWaalsContact O-CB 3.24Å; L97-L100 WeakPolarHBondContact O-CB 3.35Å; L97-L100 PolarHBondContact O-N 3.02Å; L100-L103 HydrophobicContact CD2-CB 4.02Å; L100-L103 HydrophobicContact CD2-CD1 4.42Å; L100-L103 HydrophobicContact CD2-CD2 4.38Å; L100-L120 HydrophobicContact CD2-CD1 4.05Å; L100-Q122 CarbonylContact O-C 3.51Å; L100-L123 HydrophobicContact CD2-CD1 4.23Å; L100-L123 HydrophobicContact CG-CD1 4.09Å; L100-L123 WeakPolarHBondContact O-CA 3.34Å; L100-L123 PolarHBondContact O-N 3.36Å
101Q97.8Very high95Very high70 Ų7042.7 Ų42.733%0.32722%0.219SC..  trans-108-31.7177.9-65.6177.83.700112.1V78 C99 Q122 L124 F125V78-Q101 HydrophobicContact CG1-CB 3.88Å; V78-Q101 HydrophobicContact CG1-CG 3.9Å; V78-Q101 PolarHBondContact O-N 2.81Å; C99-Q101 PolarHBondContact O-N 3Å; Q101-Q122 WeakPolarHBondContact CA-O 3.32Å; Q101-Q122 HydrophobicContact CG-CB 4.46Å; Q101-Q122 WeakPolarHBondContact CG-O 3.3Å; Q101-L124 HydrophobicContact CB-CD1 4.17Å; Q101-L124 HydrophobicContact CB-CG 4.13Å; Q101-L124 HydrophobicContact CG-CD1 4.3Å; Q101-L124 HydrophobicContact CG-CG 4.36Å; Q101-L124 WeakPolarHBondContact O-CA 3.47Å; Q101-L124 PolarHBondContact O-N 2.88Å; Q101-F125 PolarHBondContact O-N 3.21Å
102V98.1Very high95Very high39 Ų3947.2 Ų47.224%0.23624%0.237CC..EExtended strand (participates in β ladder)trans-127.8114.4-175.1-178.20000109.1V78 L79 L80 F125V78-V102 PolarHBondContact O-N 2.74Å; L79-V102 WeakPolarHBondContact CA-O 3.35Å; L79-V102 HydrophobicContact CB-CB 4.14Å; L79-V102 HydrophobicContact CD1-CB 4.16Å; L79-V102 HydrophobicContact CD1-CG1 3.95Å; L79-V102 HydrophobicContact CG-CB 3.87Å; L79-V102 HydrophobicContact CG-CG1 3.86Å; L80-V102 PolarHBondContact N-O 3.45Å; V102-F125 HydrophobicContact CB-CB 4.48Å; V102-F125 HydrophobicContact CG1-CB 4.23Å; V102-F125 HydrophobicContact CG1-CD1 3.56Å; V102-F125 HydrophobicContact CG1-CE1 4.34Å; V102-F125 HydrophobicContact CG1-CG 4.24Å; V102-F125 HydrophobicContact CG2-CB 4.25Å
103L98.1Very high95.2Very high0 Ų042.8 Ų42.80%021%0.213CC..EExtended strand (participates in β ladder)trans-118.9113.3172.8178.756.8000110L80 L90 L94 L100 I117 L123 F125 L126 N127L80-L103 HydrophobicContact CB-CD1 4.14Å; L80-L103 HydrophobicContact CD2-CD1 3.99Å; L80-L103 HydrophobicContact CG-CD1 4.09Å; L80-L103 WeakPolarHBondContact O-CA 3.38Å; L90-L103 HydrophobicContact CD1-CD2 4.43Å; L94-L103 HydrophobicContact CD2-CD2 4.1Å; L100-L103 HydrophobicContact CD2-CB 4.02Å; L100-L103 HydrophobicContact CD2-CD1 4.42Å; L100-L103 HydrophobicContact CD2-CD2 4.38Å; L103-I117 HydrophobicContact CD2-CD1 4.32Å; L103-L123 HydrophobicContact CB-CD1 3.98Å; L103-F125 PolarHBondContact N-O 2.84Å; L103-L126 HydrophobicContact CB-CD1 3.92Å; L103-L126 HydrophobicContact CD2-CD1 3.78Å; L103-L126 HydrophobicContact CG-CD1 3.87Å; L103-L126 WeakPolarHBondContact O-CA 3.39Å; L103-N127 PolarHBondContact O-N 3.35Å
104N98.2Very high95.3Very high24 Ų2441.8 Ų41.813%0.12821%0.205CC..EExtended strand (participates in β ladder)trans-109108171.7-175.810.3000109.7L80 D81 I82 S83 S106L80-N104 PolarHBondContact O-N 3.32Å; D81-N104 HydrophobicContact CB-CB 4.32Å; D81-N104 PolarHBondContact OD1-ND2 3.34Å; D81-N104 PolarHBondContact OD2-ND2 3.41Å; I82-N104 WeakPolarHBondContact CG1-O 3.47Å; I82-N104 PolarHBondContact N-O 3.25Å; S83-N104 PolarHBondContact N-O 3.38Å; S83-N104 PolarHBondContact OG-ND2 3.36Å; N104-S106 WeakPolarHBondContact OD1-CB 3.1Å; N104-S106 PolarHBondContact OD1-N 3.28Å; N104-S106 PolarHBondContact OD1-OG 3.14Å
105A97.3Very high95.1Very high0 Ų045.6 Ų45.60%023%0.232CC..  trans-121.224.4175.700000112.2I82 N108 L110 N127 V128 N131I82-A105 HydrophobicContact CD1-CB 3.83Å; I82-A105 HydrophobicContact CG1-CB 3.79Å; A105-N108 PolarHBondContact O-ND2 2.96Å; A105-L110 HydrophobicContact CB-CD1 4Å; A105-N127 CarbonylContact C-O 3.32Å; A105-N127 PolarHBondContact N-O 2.94Å; A105-V128 HydrophobicContact CB-CG1 4.34Å; A105-N131 PolarHBondContact O-ND2 2.92Å
106S97.1Very high95.1Very high11 Ų1141.8 Ų41.88%0.07722%0.221CC..  trans-62.8158.7177.658.50000113.3S83 S84 N104 N108 N127 E129S83-S106 CarbonylContact C-O 3.34Å; S83-S106 WeakPolarHBondContact CA-O 3.15Å; S83-S106 WeakPolarHBondContact CB-O 3.3Å; S83-S106 VanDerWaalsContact CB-OG 3.3Å; S83-S106 WeakPolarHBondContact CB-OG 3.44Å; S84-S106 PolarHBondContact N-O 3.46Å; N104-S106 WeakPolarHBondContact OD1-CB 3.1Å; N104-S106 PolarHBondContact OD1-N 3.28Å; N104-S106 PolarHBondContact OD1-OG 3.14Å; S106-N108 PolarHBondContact O-N 3.07Å; S106-N108 PolarHBondContact O-ND2 3.33Å; S106-N127 WeakPolarHBondContact CB-OD1 3.39Å; S106-N127 PolarHBondContact N-O 3.19Å; S106-E129 CarbonylContact C-O 3.41Å; S106-E129 WeakPolarHBondContact CA-O 3.45Å; S106-E129 WeakPolarHBondContact CB-O 3.49Å
107K96.5Very high95.2Very high115 Ų11539.9 Ų39.950%0.521%0.212SC..SBendtrans55.250.2177.6-61.3174.7-178.9176.90112.3S84 N85 E129 D130S84-K107 VanDerWaalsContact CA-O 3.25Å; S84-K107 WeakPolarHBondContact CA-O 3.38Å; S84-K107 PolarHBondContact N-O 3.4Å; N85-K107 PolarHBondContact N-O 3.49Å; K107-E129 PolarHBondContact N-O 3.28Å; K107-D130 VanDerWaalsContact CA-O 3.27Å; K107-D130 WeakPolarHBondContact CA-O 3.48Å; K107-D130 HydrophobicContact CB-CB 4.3Å; K107-D130 WeakPolarHBondContact CE-OD2 3.46Å; K107-D130 HydrophobicContact CG-CB 3.63Å; K107-D130 WeakPolarHBondContact CG-OD2 3.31Å; K107-D130 PolarHBondContact N-O 2.77Å
108N97.3Very high95Very high7 Ų740.4 Ų40.44%0.03722%0.215CC..SBendtrans-123.6-168175-85.8-71.6000109.3I82 N85 E86 F87 A105 S106 L110 D130 N131I82-N108 PolarHBondContact O-ND2 3.48Å; N85-N108 VanDerWaalsContact CA-OD1 3.28Å; N85-N108 WeakPolarHBondContact CA-OD1 3.21Å; N85-N108 WeakPolarHBondContact CB-OD1 3.44Å; N85-N108 PolarHBondContact N-OD1 3.4Å; N85-N108 PolarHBondContact O-OD1 3.38Å; N85-N108 VanDerWaalsContact O-OD1 3.11Å; E86-N108 PolarHBondContact N-OD1 3.28Å; F87-N108 HydrophobicContact CB-CB 4.22Å; F87-N108 WeakPolarHBondContact CB-OD1 3.49Å; F87-N108 WeakPolarHBondContact CD2-OD1 3.37Å; F87-N108 PolarHBondContact N-OD1 2.93Å; A105-N108 PolarHBondContact O-ND2 2.96Å; S106-N108 PolarHBondContact O-N 3.07Å; S106-N108 PolarHBondContact O-ND2 3.33Å; N108-L110 HydrophobicContact CB-CG 4.15Å; N108-D130 PolarHBondContact N-O 3.16Å; N108-N131 VanDerWaalsContact CA-OD1 3.31Å; N108-N131 WeakPolarHBondContact CA-OD1 3.33Å; N108-N131 WeakPolarHBondContact CB-OD1 3.3Å; N108-N131 PolarHBondContact N-OD1 3.07Å; N108-N131 PolarHBondContact O-OD1 3.49Å
109L96.5Very high95.1Very high58 Ų5836.7 Ų36.730%0.30421%0.208SC..  trans-113.725.9-179.8-56.7176.3000111.4F87 Q88 S111 N131F87-L109 CarbonylContact O-C 3.49Å; F87-L109 VanDerWaalsContact O-CA 3.26Å; F87-L109 WeakPolarHBondContact O-CA 3.26Å; F87-L109 WeakPolarHBondContact O-CB 3.29Å; F87-L109 PolarHBondContact O-N 2.95Å; Q88-L109 HydrophobicContact CG-CB 4.32Å; L109-S111 PolarHBondContact O-N 3.35Å; L109-N131 PolarHBondContact N-OD1 3.49Å
110L96.9Very high95.1Very high0 Ų034.4 Ų34.40%019%0.192CC..  trans-63.6118.4-173.5-61.4176.2000110.4F87 Q88 L90 A105 N108 L113 N131 R132 L133F87-L110 HydrophobicContact CB-CD2 3.94Å; F87-L110 PolarHBondContact O-N 2.85Å; F87-L110 VanDerWaalsContact O-N 3.15Å; Q88-L110 WeakPolarHBondContact O-CA 3.37Å; L90-L110 HydrophobicContact CD1-CD1 4.3Å; L90-L110 HydrophobicContact CD2-CD1 4.47Å; L90-L110 HydrophobicContact CD2-CD2 4.14Å; L90-L110 HydrophobicContact CG-CD1 4.18Å; L90-L110 HydrophobicContact CG-CD2 3.95Å; A105-L110 HydrophobicContact CB-CD1 4Å; N108-L110 HydrophobicContact CB-CG 4.15Å; L110-L113 HydrophobicContact CD1-CD2 4.31Å; L110-N131 HydrophobicContact CB-CB 4.2Å; L110-N131 VanDerWaalsContact CB-OD1 3.25Å; L110-N131 WeakPolarHBondContact CB-OD1 3.31Å; L110-N131 VanDerWaalsContact CG-OD1 3.28Å; L110-N131 WeakPolarHBondContact CG-OD1 3.44Å; L110-N131 PolarHBondContact N-OD1 2.85Å; L110-R132 CarbonylContact O-C 3.35Å; L110-R132 VanDerWaalsContact O-CA 3.25Å; L110-R132 WeakPolarHBondContact O-CA 3.36Å; L110-R132 WeakPolarHBondContact O-CB 3.38Å; L110-R132 PolarHBondContact O-N 3.05Å; L110-L133 HydrophobicContact CB-CD2 4.04Å; L110-L133 PolarHBondContact O-N 3.09Å
111S93.6Very high94.7Very high63 Ų6337.6 Ų37.644%0.44122%0.215SC..SBendtrans-86-30.1176.1570000113.1Q88 L109Q88-S111 PolarHBondContact O-N 3.46Å; L109-S111 PolarHBondContact O-N 3.35Å
112K93.7Very high94.5Very high110 Ų11038 Ų3848%0.47822%0.216SC..  trans-148.2157.3176.9-62.8-166.6179.9-154.90110.1E135K112-E135 WeakPolarHBondContact CE-OE1 3.28Å; K112-E135 IonicContact NZ-OE1 3.1Å; K112-E135 PolarHBondContact NZ-OE1 2.85Å
113L94.4Very high94.4Very high13 Ų1336.1 Ų36.17%0.06821%0.205CC..  trans-93.1139.6165.4-63.1174.4000109.4L90 L110 I117 V128 L133 L136 P137 F140L90-L113 HydrophobicContact CD1-CD2 4.14Å; L110-L113 HydrophobicContact CD1-CD2 4.31Å; L113-I117 HydrophobicContact CB-CD1 4.47Å; L113-I117 HydrophobicContact CB-CG2 4.37Å; L113-I117 HydrophobicContact CD1-CD1 4.2Å; L113-I117 HydrophobicContact CD2-CD1 4.14Å; L113-V128 HydrophobicContact CD2-CG1 4.09Å; L113-L133 HydrophobicContact CD1-CD1 4.15Å; L113-L133 HydrophobicContact CD2-CD1 4.39Å; L113-L133 HydrophobicContact CD2-CD2 4.31Å; L113-L133 HydrophobicContact CG-CD1 4.05Å; L113-L133 HydrophobicContact CG-CD2 3.98Å; L113-L136 HydrophobicContact CD1-CD2 3.9Å; L113-P137 HydrophobicContact CB-CG 4.25Å; L113-F140 HydrophobicContact CD1-CE2 4.13Å
114P93.3Very high94.3Very high14 Ų1438.8 Ų38.89%0.09122%0.219CC..  trans-64.5144175.428.8-34.5000109.7L90 D92 T116 I117L90-P114 HydrophobicContact CB-CG 4.04Å; D92-P114 WeakPolarHBondContact OD1-CB 3.39Å; P114-T116 PolarHBondContact O-N 3.4Å; P114-I117 HydrophobicContact CG-CB 4.48Å; P114-I117 WeakPolarHBondContact O-CB 3.47Å; P114-I117 WeakPolarHBondContact O-CG2 3.42Å; P114-I117 PolarHBondContact O-N 3.48Å
115S89.3Confident94.3Very high82 Ų8239.6 Ų39.657%0.57322%0.222SC*.G310 helixtrans-61.1-27.7179.356.30000112.3I117 T118S115-I117 PolarHBondContact O-N 3.47Å; S115-T118 PolarHBondContact O-N 3.2Å; S115-T118 PolarHBondContact O-OG1 3.04Å
116T91.2Very high94.3Very high31 Ų3139.6 Ų39.619%0.1922%0.222CC..G310 helixtrans-65.2-15.4176.459.50000113.9D92 Y95 P114 T118 S119D92-T116 HydrophobicContact CB-CG2 4.41Å; D92-T116 WeakPolarHBondContact O-CB 3.24Å; D92-T116 PolarHBondContact O-OG1 3.4Å; Y95-T116 HydrophobicContact CD1-CG2 4.5Å; P114-T116 PolarHBondContact O-N 3.4Å; T116-T118 PolarHBondContact O-N 3.01Å; T116-T118 VanDerWaalsContact O-N 3.13Å; T116-S119 VanDerWaalsContact O-CB 3.25Å; T116-S119 WeakPolarHBondContact O-CB 3.4Å; T116-S119 PolarHBondContact O-N 3.16Å; T116-S119 PolarHBondContact O-OG 2.81Å
117I94Very high94.4Very high0 Ų039.8 Ų39.80%022%0.222CC..G310 helixtrans-57.4-29.8173.7-158.8171.2000111.7L94 L103 L113 P114 S115 S119 L120 L126 P137 F140L94-I117 HydrophobicContact CD2-CG1 4.37Å; L103-I117 HydrophobicContact CD2-CD1 4.32Å; L113-I117 HydrophobicContact CB-CD1 4.47Å; L113-I117 HydrophobicContact CB-CG2 4.37Å; L113-I117 HydrophobicContact CD1-CD1 4.2Å; L113-I117 HydrophobicContact CD2-CD1 4.14Å; P114-I117 HydrophobicContact CG-CB 4.48Å; P114-I117 WeakPolarHBondContact O-CB 3.47Å; P114-I117 WeakPolarHBondContact O-CG2 3.42Å; P114-I117 PolarHBondContact O-N 3.48Å; S115-I117 PolarHBondContact O-N 3.47Å; I117-S119 PolarHBondContact O-N 2.98Å; I117-L120 HydrophobicContact CG1-CD1 4.02Å; I117-L120 WeakPolarHBondContact O-CB 3.45Å; I117-L120 WeakPolarHBondContact O-CG 3.28Å; I117-L120 PolarHBondContact O-N 3.43Å; I117-L126 HydrophobicContact CD1-CD1 4.29Å; I117-L126 HydrophobicContact CD1-CD2 4.11Å; I117-P137 HydrophobicContact CG2-CG 4.22Å; I117-F140 HydrophobicContact CG2-CE2 4.43Å
118T90.6Very high94.4Very high12 Ų1234.3 Ų34.37%0.07420%0.198CC..G310 helixtrans-70.2-8.9178.164.80000113.7S115 T116 L120 P137 E139S115-T118 PolarHBondContact O-N 3.2Å; S115-T118 PolarHBondContact O-OG1 3.04Å; T116-T118 PolarHBondContact O-N 3.01Å; T116-T118 VanDerWaalsContact O-N 3.13Å; T118-L120 VanDerWaalsContact C-N 3.34Å; T118-P137 HydrophobicContact CG2-CB 4.2Å; T118-E139 HydrophobicContact CG2-CB 4.12Å; T118-E139 WeakPolarHBondContact CG2-O 3.38Å
119S91.5Very high94.3Very high71 Ų7135.9 Ų35.950%0.49721%0.205SC..G310 helixtrans-84.1-8.2174.4-55.40000113.2T116 I117 S121T116-S119 VanDerWaalsContact O-CB 3.25Å; T116-S119 WeakPolarHBondContact O-CB 3.4Å; T116-S119 PolarHBondContact O-N 3.16Å; T116-S119 PolarHBondContact O-OG 2.81Å; I117-S119 PolarHBondContact O-N 2.98Å; S119-S121 VanDerWaalsContact C-N 3.26Å; S119-S121 PolarHBondContact O-N 2.79Å
120L94.1Very high94.3Very high2 Ų235.7 Ų35.71%0.0120%0.204CC..  trans-7972.2177.2-60.6174.7000110.5L94 L97 L100 I117 T118 Q122 L123 L143L94-L120 HydrophobicContact CD2-CD1 4.25Å; L94-L120 HydrophobicContact CG-CD1 4.36Å; L97-L120 HydrophobicContact CB-CD2 4.35Å; L97-L120 VanDerWaalsContact O-CD2 3.32Å; L97-L120 WeakPolarHBondContact O-CD2 3.29Å; L100-L120 HydrophobicContact CD2-CD1 4.05Å; I117-L120 HydrophobicContact CG1-CD1 4.02Å; I117-L120 WeakPolarHBondContact O-CB 3.45Å; I117-L120 WeakPolarHBondContact O-CG 3.28Å; I117-L120 PolarHBondContact O-N 3.43Å; T118-L120 VanDerWaalsContact C-N 3.34Å; L120-Q122 PolarHBondContact O-N 2.96Å; L120-L123 HydrophobicContact CB-CB 4.1Å; L120-L123 HydrophobicContact CD1-CD2 4.42Å; L120-L123 VanDerWaalsContact O-CB 3.28Å; L120-L123 WeakPolarHBondContact O-CB 3.5Å; L120-L123 PolarHBondContact O-N 2.84Å; L120-L143 HydrophobicContact CB-CD2 4.38Å; L120-L143 VanDerWaalsContact O-CD2 3.23Å; L120-L143 WeakPolarHBondContact O-CD2 3.46Å
121S89.4Confident94.3Very high68 Ų6836.2 Ų36.248%0.47621%0.207SC..THydrogen-bonded Turntrans-61.8-18.4-171.859.80000115S119 Q145S119-S121 VanDerWaalsContact C-N 3.26Å; S119-S121 PolarHBondContact O-N 2.79Å; S121-Q145 PolarHBondContact O-OE1 2.92Å
122Q93Very high94.3Very high77 Ų7740.4 Ų40.436%0.3621%0.213SC..THydrogen-bonded Turntrans-94.52179.8-61.9-67-43.500113.3K98 L100 Q101 L120 L124K98-Q122 WeakPolarHBondContact O-CG 3.15Å; L100-Q122 CarbonylContact O-C 3.51Å; Q101-Q122 WeakPolarHBondContact CA-O 3.32Å; Q101-Q122 HydrophobicContact CG-CB 4.46Å; Q101-Q122 WeakPolarHBondContact CG-O 3.3Å; L120-Q122 PolarHBondContact O-N 2.96Å; Q122-L124 PolarHBondContact O-N 3.04Å
123L96Very high94.4Very high1 Ų135.1 Ų35.11%0.00519%0.19CC..  trans-71.2118.3-172.8-162.771.3000111.5L100 L103 L120 L126 L143 Q145 I146L100-L123 HydrophobicContact CD2-CD1 4.23Å; L100-L123 HydrophobicContact CG-CD1 4.09Å; L100-L123 WeakPolarHBondContact O-CA 3.34Å; L100-L123 PolarHBondContact O-N 3.36Å; L103-L123 HydrophobicContact CB-CD1 3.98Å; L120-L123 HydrophobicContact CB-CB 4.1Å; L120-L123 HydrophobicContact CD1-CD2 4.42Å; L120-L123 VanDerWaalsContact O-CB 3.28Å; L120-L123 WeakPolarHBondContact O-CB 3.5Å; L120-L123 PolarHBondContact O-N 2.84Å; L123-L126 HydrophobicContact CD2-CB 4.12Å; L123-L126 HydrophobicContact CD2-CD1 4.42Å; L123-L126 HydrophobicContact CD2-CD2 4.4Å; L123-L143 HydrophobicContact CB-CD2 4.3Å; L123-L143 HydrophobicContact CD2-CD1 4.35Å; L123-Q145 CarbonylContact O-C 3.48Å; L123-I146 VanDerWaalsContact O-CA 3.28Å; L123-I146 WeakPolarHBondContact O-CA 3.37Å; L123-I146 PolarHBondContact O-N 2.97Å
124L97.1Very high94.3Very high56 Ų5637.5 Ų37.529%0.29321%0.205SC..  trans-101.6-35.2-179-56.5-178.9000112.6Q101 Q122 Q145 T147 K148Q101-L124 HydrophobicContact CB-CD1 4.17Å; Q101-L124 HydrophobicContact CB-CG 4.13Å; Q101-L124 HydrophobicContact CG-CD1 4.3Å; Q101-L124 HydrophobicContact CG-CG 4.36Å; Q101-L124 WeakPolarHBondContact O-CA 3.47Å; Q101-L124 PolarHBondContact O-N 2.88Å; Q122-L124 PolarHBondContact O-N 3.04Å; L124-Q145 HydrophobicContact CD2-CB 3.78Å; L124-Q145 WeakPolarHBondContact CD2-O 3.36Å; L124-T147 PolarHBondContact O-N 3.28Å; L124-T147 PolarHBondContact O-OG1 3.48Å; L124-K148 PolarHBondContact O-N 3.34Å
125F97.6Very high94.2Very high41 Ų4141.1 Ų41.118%0.1822%0.221CC..EExtended strand (participates in β ladder)trans-131.9122.5-176.4177.4-96.2000110.4Q101 V102 L103 N127 K148 Y150Q101-F125 PolarHBondContact O-N 3.21Å; V102-F125 HydrophobicContact CB-CB 4.48Å; V102-F125 HydrophobicContact CG1-CB 4.23Å; V102-F125 HydrophobicContact CG1-CD1 3.56Å; V102-F125 HydrophobicContact CG1-CE1 4.34Å; V102-F125 HydrophobicContact CG1-CG 4.24Å; V102-F125 HydrophobicContact CG2-CB 4.25Å; L103-F125 PolarHBondContact N-O 2.84Å; F125-N127 HydrophobicContact CE1-CB 3.58Å; F125-N127 HydrophobicContact CZ-CB 3.62Å; F125-K148 WeakPolarHBondContact CA-O 3.48Å; F125-K148 HydrophobicContact CD2-CB 3.47Å; F125-K148 VanDerWaalsContact CD2-CB 3.47Å; F125-K148 HydrophobicContact CD2-CD 3.81Å; F125-K148 HydrophobicContact CD2-CG 4.25Å; F125-K148 HydrophobicContact CE2-CB 4.06Å; F125-K148 HydrophobicContact CE2-CD 4.19Å; F125-K148 HydrophobicContact CG-CB 4.48Å; F125-Y150 AromaticContact CE2-CD2 3.9Å; F125-Y150 HydrophobicContact CE2-CD2 3.9Å; F125-Y150 AromaticContact CE2-CE2 3.56Å; F125-Y150 HydrophobicContact CE2-CE2 3.56Å; F125-Y150 AromaticContact CE2-CZ 3.95Å; F125-Y150 AromaticContact CZ-CD2 3.95Å; F125-Y150 HydrophobicContact CZ-CD2 3.95Å; F125-Y150 AromaticContact CZ-CE2 3.87Å; F125-Y150 HydrophobicContact CZ-CE2 3.87Å
126L97.8Very high94.4Very high0 Ų037.8 Ų37.80%020%0.197CC..EExtended strand (participates in β ladder)trans-126.5115.5172.5-179.760.9000109.8L103 I117 L123 V128 F140 I146 K148 L149 Y150L103-L126 HydrophobicContact CB-CD1 3.92Å; L103-L126 HydrophobicContact CD2-CD1 3.78Å; L103-L126 HydrophobicContact CG-CD1 3.87Å; L103-L126 WeakPolarHBondContact O-CA 3.39Å; I117-L126 HydrophobicContact CD1-CD1 4.29Å; I117-L126 HydrophobicContact CD1-CD2 4.11Å; L123-L126 HydrophobicContact CD2-CB 4.12Å; L123-L126 HydrophobicContact CD2-CD1 4.42Å; L123-L126 HydrophobicContact CD2-CD2 4.4Å; L126-V128 HydrophobicContact CD1-CG1 3.87Å; L126-V128 HydrophobicContact CG-CG1 4.16Å; L126-F140 HydrophobicContact CD2-CZ 3.73Å; L126-I146 HydrophobicContact CB-CD1 3.91Å; L126-K148 PolarHBondContact N-O 3.29Å; L126-L149 HydrophobicContact CB-CD1 4.03Å; L126-L149 HydrophobicContact CD2-CD1 3.88Å; L126-L149 HydrophobicContact CG-CD1 4.13Å; L126-L149 WeakPolarHBondContact O-CA 3.39Å; L126-Y150 PolarHBondContact O-N 3.44Å
127N98Very high94.4Very high15 Ų1537.3 Ų37.38%0.0819%0.194CC..EExtended strand (participates in β ladder)trans-112.4116.9171.8-174.3-5.4000110.4L103 A105 S106 F125 E129 Y150L103-N127 PolarHBondContact O-N 3.35Å; A105-N127 CarbonylContact C-O 3.32Å; A105-N127 PolarHBondContact N-O 2.94Å; S106-N127 WeakPolarHBondContact CB-OD1 3.39Å; S106-N127 PolarHBondContact N-O 3.19Å; F125-N127 HydrophobicContact CE1-CB 3.58Å; F125-N127 HydrophobicContact CZ-CB 3.62Å; N127-E129 WeakPolarHBondContact OD1-CB 3.45Å; N127-E129 VanDerWaalsContact OD1-CG 3.31Å; N127-E129 WeakPolarHBondContact OD1-CG 3.3Å; N127-E129 PolarHBondContact OD1-N 3.09Å; N127-Y150 HydrophobicContact CB-CD2 4.27Å
128V96.8Very high94.1Very high0 Ų040.8 Ų40.80%022%0.218CC..  trans-129.426.9175.5-66.10000110.7A105 L113 L126 N131 L133 Y150 L151 N154A105-V128 HydrophobicContact CB-CG1 4.34Å; L113-V128 HydrophobicContact CD2-CG1 4.09Å; L126-V128 HydrophobicContact CD1-CG1 3.87Å; L126-V128 HydrophobicContact CG-CG1 4.16Å; V128-N131 WeakPolarHBondContact O-CB 3.45Å; V128-N131 PolarHBondContact O-ND2 3.32Å; V128-L133 HydrophobicContact CB-CD1 3.91Å; V128-L133 HydrophobicContact CG2-CD1 3.59Å; V128-Y150 WeakPolarHBondContact CG2-O 3.32Å; V128-Y150 PolarHBondContact N-O 2.87Å; V128-L151 HydrophobicContact CG2-CD2 3.43Å; V128-L151 VanDerWaalsContact CG2-CD2 3.43Å; V128-N154 PolarHBondContact O-ND2 3.36Å
129E96.4Very high94Very high39 Ų3944.2 Ų44.218%0.18223%0.234CC..  trans-59156.7174.8-67.4-175.9143.800112.1S106 K107 N127 N131 Y150 K152 T173S106-E129 CarbonylContact C-O 3.41Å; S106-E129 WeakPolarHBondContact CA-O 3.45Å; S106-E129 WeakPolarHBondContact CB-O 3.49Å; K107-E129 PolarHBondContact N-O 3.28Å; N127-E129 WeakPolarHBondContact OD1-CB 3.45Å; N127-E129 VanDerWaalsContact OD1-CG 3.31Å; N127-E129 WeakPolarHBondContact OD1-CG 3.3Å; N127-E129 PolarHBondContact OD1-N 3.09Å; E129-N131 PolarHBondContact O-N 3.08Å; E129-N131 PolarHBondContact O-ND2 3.18Å; E129-N131 VanDerWaalsContact O-ND2 3.15Å; E129-Y150 PolarHBondContact N-O 3.02Å; E129-K152 CarbonylContact C-O 3.57Å; E129-K152 WeakPolarHBondContact CA-O 3.48Å; E129-K152 WeakPolarHBondContact CB-O 3.35Å; E129-K152 HydrophobicContact CG-CB 3.93Å; E129-K152 VanDerWaalsContact OE1-CB 3.23Å; E129-K152 WeakPolarHBondContact OE1-CB 3.37Å; E129-T173 WeakPolarHBondContact OE1-CB 3.36Å; E129-T173 PolarHBondContact OE1-OG1 2.82Å
130D96Very high93.9Very high55 Ų5540.9 Ų40.929%0.29421%0.21SC..SBendtrans55.148.9178.2-60.8-48.4000112.4K107 N108 K152 N153K107-D130 VanDerWaalsContact CA-O 3.27Å; K107-D130 WeakPolarHBondContact CA-O 3.48Å; K107-D130 HydrophobicContact CB-CB 4.3Å; K107-D130 WeakPolarHBondContact CE-OD2 3.46Å; K107-D130 HydrophobicContact CG-CB 3.63Å; K107-D130 WeakPolarHBondContact CG-OD2 3.31Å; K107-D130 PolarHBondContact N-O 2.77Å; N108-D130 PolarHBondContact N-O 3.16Å; D130-K152 PolarHBondContact N-O 2.89Å; D130-N153 WeakPolarHBondContact OD1-CB 3.47Å; D130-N153 PolarHBondContact OD1-ND2 2.98Å
131N96.4Very high93.5Very high11 Ų1141 Ų416%0.05921%0.212CC..SBendtrans-122.8-163.4175-85.5-77.8000110.2A105 N108 L109 L110 V128 E129 L133 N153 N154A105-N131 PolarHBondContact O-ND2 2.92Å; N108-N131 VanDerWaalsContact CA-OD1 3.31Å; N108-N131 WeakPolarHBondContact CA-OD1 3.33Å; N108-N131 WeakPolarHBondContact CB-OD1 3.3Å; N108-N131 PolarHBondContact N-OD1 3.07Å; N108-N131 PolarHBondContact O-OD1 3.49Å; L109-N131 PolarHBondContact N-OD1 3.49Å; L110-N131 HydrophobicContact CB-CB 4.2Å; L110-N131 VanDerWaalsContact CB-OD1 3.25Å; L110-N131 WeakPolarHBondContact CB-OD1 3.31Å; L110-N131 VanDerWaalsContact CG-OD1 3.28Å; L110-N131 WeakPolarHBondContact CG-OD1 3.44Å; L110-N131 PolarHBondContact N-OD1 2.85Å; V128-N131 WeakPolarHBondContact O-CB 3.45Å; V128-N131 PolarHBondContact O-ND2 3.32Å; E129-N131 PolarHBondContact O-N 3.08Å; E129-N131 PolarHBondContact O-ND2 3.18Å; E129-N131 VanDerWaalsContact O-ND2 3.15Å; N131-L133 HydrophobicContact CB-CG 4.28Å; N131-N153 PolarHBondContact N-O 3.3Å; N131-N154 VanDerWaalsContact CA-OD1 3.32Å; N131-N154 WeakPolarHBondContact CA-OD1 3.48Å; N131-N154 WeakPolarHBondContact CB-OD1 3.41Å; N131-N154 PolarHBondContact O-OD1 3.47Å
132R94.8Very high93.6Very high150 Ų15043.3 Ų43.357%0.56621%0.214SC*.  trans-122.128.9-179.5-58.8-179.7-179.5-173.5-0.8111.8L110 T134 N154L110-R132 CarbonylContact O-C 3.35Å; L110-R132 VanDerWaalsContact O-CA 3.25Å; L110-R132 WeakPolarHBondContact O-CA 3.36Å; L110-R132 WeakPolarHBondContact O-CB 3.38Å; L110-R132 PolarHBondContact O-N 3.05Å; R132-T134 PolarHBondContact O-N 2.94Å; R132-N154 PolarHBondContact N-OD1 3.4Å
133L94.8Very high93.5Very high0 Ų039.7 Ų39.70%020%0.197CC..  trans-67.1124.1-177.5-59.7177000110.6L110 L113 V128 N131 N154 P155 L156L110-L133 HydrophobicContact CB-CD2 4.04Å; L110-L133 PolarHBondContact O-N 3.09Å; L113-L133 HydrophobicContact CD1-CD1 4.15Å; L113-L133 HydrophobicContact CD2-CD1 4.39Å; L113-L133 HydrophobicContact CD2-CD2 4.31Å; L113-L133 HydrophobicContact CG-CD1 4.05Å; L113-L133 HydrophobicContact CG-CD2 3.98Å; V128-L133 HydrophobicContact CB-CD1 3.91Å; V128-L133 HydrophobicContact CG2-CD1 3.59Å; N131-L133 HydrophobicContact CB-CG 4.28Å; L133-N154 HydrophobicContact CB-CB 4.12Å; L133-N154 VanDerWaalsContact CB-OD1 3.3Å; L133-N154 WeakPolarHBondContact CB-OD1 3.26Å; L133-N154 WeakPolarHBondContact CG-OD1 3.32Å; L133-N154 PolarHBondContact N-OD1 3.32Å; L133-P155 CarbonylContact O-C 3.5Å; L133-P155 VanDerWaalsContact O-C 3.32Å; L133-P155 VanDerWaalsContact O-CD 3.28Å; L133-P155 WeakPolarHBondContact O-CD 3.36Å; L133-L156 HydrophobicContact CB-CD2 4.07Å; L133-L156 PolarHBondContact O-N 3.46Å
134T91.5Very high93.2Very high62 Ų6246 Ų4638%0.3823%0.226SC..  trans-94.8-25.4176.4570000113R132 P155 S157R132-T134 PolarHBondContact O-N 2.94Å; T134-P155 HydrophobicContact CG2-CG 4.34Å; T134-S157 PolarHBondContact O-N 3.39Å; T134-S157 VanDerWaalsContact O-N 3.11Å
135E91.7Very high92.9Very high90 Ų9047 Ų4742%0.42123%0.23SC..  trans-150.9158.6-17966.3-169.1173.400110.7K112K112-E135 WeakPolarHBondContact CE-OE1 3.28Å; K112-E135 IonicContact NZ-OE1 3.1Å; K112-E135 PolarHBondContact NZ-OE1 2.85Å
136L93.1Very high92.8Very high12 Ų1245.1 Ų45.16%0.06322%0.221CC..  trans-101.1151.9165.8-64176.4000109.9L113 F140 L151 L156 L159 P160 L163L113-L136 HydrophobicContact CD1-CD2 3.9Å; L136-F140 HydrophobicContact CB-CD2 4.15Å; L136-F140 HydrophobicContact CB-CE2 4.44Å; L136-F140 HydrophobicContact CD2-CE2 4.09Å; L136-F140 HydrophobicContact CD2-CZ 4.33Å; L136-L151 HydrophobicContact CD1-CD1 3.83Å; L136-L151 HydrophobicContact CD1-CD2 4.47Å; L136-L151 HydrophobicContact CD2-CD2 4.03Å; L136-L156 HydrophobicContact CG-CD2 4.39Å; L136-L159 HydrophobicContact CD1-CD2 4.04Å; L136-P160 HydrophobicContact CB-CG 4.13Å; L136-L163 HydrophobicContact CD1-CD1 4.49Å
137P92.3Very high92.7Very high21 Ų2146.7 Ų46.714%0.13623%0.231CC..  trans-52.6140.3172.7-25.230.9000112.7L113 I117 T118 E139 F140L113-P137 HydrophobicContact CB-CG 4.25Å; I117-P137 HydrophobicContact CG2-CG 4.22Å; T118-P137 HydrophobicContact CG2-CB 4.2Å; P137-E139 PolarHBondContact O-N 3.04Å; P137-F140 HydrophobicContact CB-CD2 4.36Å; P137-F140 HydrophobicContact CG-CD2 4.2Å; P137-F140 WeakPolarHBondContact O-CB 3.3Å; P137-F140 PolarHBondContact O-N 2.79Å
138S86.7Confident92.6Very high73 Ų7349.4 Ų49.451%0.5124%0.242SC..G310 helixtrans-61-31.4178.856.40000113.2F140 Q162S138-F140 PolarHBondContact O-N 2.92Å; S138-Q162 WeakPolarHBondContact O-CB 3.17Å; S138-Q162 VanDerWaalsContact O-CG 3.22Å; S138-Q162 WeakPolarHBondContact O-CG 3.24Å; S138-Q162 PolarHBondContact O-OE1 3.08Å; S138-Q162 VanDerWaalsContact O-OE1 3.12Å
139E88.2Confident92.6Very high85 Ų8549.4 Ų49.440%0.39724%0.242SC..G310 helixtrans-82.214.9-179.4-62-60.5132.400113.6T118 P137 G141 K142T118-E139 HydrophobicContact CG2-CB 4.12Å; T118-E139 WeakPolarHBondContact CG2-O 3.38Å; P137-E139 PolarHBondContact O-N 3.04Å; E139-G141 PolarHBondContact O-N 3.05Å; E139-K142 HydrophobicContact CB-CD 4.18Å; E139-K142 WeakPolarHBondContact O-CB 3.17Å; E139-K142 WeakPolarHBondContact O-CG 3.44Å; E139-K142 PolarHBondContact O-N 3.42Å; E139-K142 WeakPolarHBondContact OE2-CE 3.17Å; E139-K142 IonicContact OE2-NZ 3.17Å; E139-K142 PolarHBondContact OE2-NZ 3.14Å
140F90.8Very high92.6Very high0 Ų049.6 Ų49.60%024%0.241CC..G310 helixtrans-57.1-28.4-174.4-139.9-99.4000113.7L113 I117 L126 L136 P137 S138 K142 L143 L149 P160 L163 L166L113-F140 HydrophobicContact CD1-CE2 4.13Å; I117-F140 HydrophobicContact CG2-CE2 4.43Å; L126-F140 HydrophobicContact CD2-CZ 3.73Å; L136-F140 HydrophobicContact CB-CD2 4.15Å; L136-F140 HydrophobicContact CB-CE2 4.44Å; L136-F140 HydrophobicContact CD2-CE2 4.09Å; L136-F140 HydrophobicContact CD2-CZ 4.33Å; P137-F140 HydrophobicContact CB-CD2 4.36Å; P137-F140 HydrophobicContact CG-CD2 4.2Å; P137-F140 WeakPolarHBondContact O-CB 3.3Å; P137-F140 PolarHBondContact O-N 2.79Å; S138-F140 PolarHBondContact O-N 2.92Å; F140-K142 PolarHBondContact O-N 2.9Å; F140-K142 VanDerWaalsContact O-N 3.07Å; F140-L143 HydrophobicContact CD1-CD1 4.29Å; F140-L143 HydrophobicContact CE1-CD1 3.98Å; F140-L143 HydrophobicContact CE2-CD1 4.36Å; F140-L143 HydrophobicContact CZ-CD1 4.04Å; F140-L143 PolarHBondContact O-N 3.47Å; F140-L149 HydrophobicContact CD1-CD2 4.44Å; F140-L149 HydrophobicContact CE1-CD1 4.04Å; F140-L149 HydrophobicContact CE1-CD2 3.74Å; F140-L149 HydrophobicContact CZ-CD1 4.16Å; F140-P160 HydrophobicContact CB-CG 4.06Å; F140-L163 HydrophobicContact CD1-CD1 4.47Å; F140-L166 HydrophobicContact CD1-CD1 4.32Å
141G85.9Confident92.5Very high5 Ų547 Ų475%0.05223%0.227CC..G310 helixtrans-61-12.3176.600000115.3E139 L143 Q162E139-G141 PolarHBondContact O-N 3.05Å; G141-L143 PolarHBondContact O-N 3.41Å; G141-Q162 WeakPolarHBondContact CA-O 3.49Å
142K89.9Confident92.3Very high117 Ų11751.4 Ų51.451%0.50925%0.246SC..G310 helixtrans-69.4-19.7174.2-70.8-179.4177.1155.70113.6E139 F140 Q144E139-K142 HydrophobicContact CB-CD 4.18Å; E139-K142 WeakPolarHBondContact O-CB 3.17Å; E139-K142 WeakPolarHBondContact O-CG 3.44Å; E139-K142 PolarHBondContact O-N 3.42Å; E139-K142 WeakPolarHBondContact OE2-CE 3.17Å; E139-K142 IonicContact OE2-NZ 3.17Å; E139-K142 PolarHBondContact OE2-NZ 3.14Å; F140-K142 PolarHBondContact O-N 2.9Å; F140-K142 VanDerWaalsContact O-N 3.07Å; K142-Q144 PolarHBondContact O-N 3.2Å
143L92.3Very high92.1Very high1 Ų148.2 Ų48.21%0.00524%0.24CC..  trans-78.454.2178.8-64.2175.7000111.9L120 L123 F140 G141 Q145 I146 L166L120-L143 HydrophobicContact CB-CD2 4.38Å; L120-L143 VanDerWaalsContact O-CD2 3.23Å; L120-L143 WeakPolarHBondContact O-CD2 3.46Å; L123-L143 HydrophobicContact CB-CD2 4.3Å; L123-L143 HydrophobicContact CD2-CD1 4.35Å; F140-L143 HydrophobicContact CD1-CD1 4.29Å; F140-L143 HydrophobicContact CE1-CD1 3.98Å; F140-L143 HydrophobicContact CE2-CD1 4.36Å; F140-L143 HydrophobicContact CZ-CD1 4.04Å; F140-L143 PolarHBondContact O-N 3.47Å; G141-L143 PolarHBondContact O-N 3.41Å; L143-Q145 PolarHBondContact O-N 3.31Å; L143-I146 HydrophobicContact CB-CB 4.3Å; L143-I146 HydrophobicContact CB-CG2 4.31Å; L143-I146 HydrophobicContact CD1-CD1 4.47Å; L143-I146 WeakPolarHBondContact O-CB 3.32Å; L143-I146 WeakPolarHBondContact O-CG2 3.48Å; L143-I146 PolarHBondContact O-N 3.16Å; L143-L166 HydrophobicContact CB-CD2 4.28Å; L143-L166 VanDerWaalsContact O-CD2 3.28Å; L143-L166 WeakPolarHBondContact O-CD2 3.35Å
144Q88.8Confident92Very high132 Ų13248.5 Ų48.562%0.61724%0.242SC*.THydrogen-bonded Turntrans-59.9-19.3-167.9-66.4-175.5-20.100115.1K142K142-Q144 PolarHBondContact O-N 3.2Å
145Q91.7Very high91.9Very high79 Ų7948.1 Ų48.137%0.36924%0.24SC..THydrogen-bonded Turntrans-90.8-3178.2-59.4-161.2-30.400114.1S121 L123 L124 L143 T147S121-Q145 PolarHBondContact O-OE1 2.92Å; L123-Q145 CarbonylContact O-C 3.48Å; L124-Q145 HydrophobicContact CD2-CB 3.78Å; L124-Q145 WeakPolarHBondContact CD2-O 3.36Å; L143-Q145 PolarHBondContact O-N 3.31Å; Q145-T147 PolarHBondContact O-N 3.45Å
146I95.7Very high91.8Very high0 Ų044.1 Ų44.10%022%0.222CC..  trans-67.8127.3-175.6-159.6172.5000111L123 L126 L143 L149 L166 E168 L169L123-I146 VanDerWaalsContact O-CA 3.28Å; L123-I146 WeakPolarHBondContact O-CA 3.37Å; L123-I146 PolarHBondContact O-N 2.97Å; L126-I146 HydrophobicContact CB-CD1 3.91Å; L143-I146 HydrophobicContact CB-CB 4.3Å; L143-I146 HydrophobicContact CB-CG2 4.31Å; L143-I146 HydrophobicContact CD1-CD1 4.47Å; L143-I146 WeakPolarHBondContact O-CB 3.32Å; L143-I146 WeakPolarHBondContact O-CG2 3.48Å; L143-I146 PolarHBondContact O-N 3.16Å; I146-L149 HydrophobicContact CD1-CB 4.24Å; I146-L149 HydrophobicContact CD1-CD1 4.1Å; I146-L166 HydrophobicContact CG2-CB 4.14Å; I146-L166 HydrophobicContact CG2-CD1 3.65Å; I146-L166 HydrophobicContact CG2-CD2 3.8Å; I146-L166 HydrophobicContact CG2-CG 4.07Å; I146-E168 CarbonylContact O-C 3.59Å; I146-L169 HydrophobicContact CG2-CD1 4.44Å; I146-L169 WeakPolarHBondContact O-CA 3.34Å; I146-L169 PolarHBondContact O-N 2.81Å
147T95Very high91.6Very high34 Ų3446.2 Ų46.221%0.20924%0.237CC..  trans-108.5-27.1-17762.40000112.9L124 Q145 E168 K170 E171L124-T147 PolarHBondContact O-N 3.28Å; L124-T147 PolarHBondContact O-OG1 3.48Å; Q145-T147 PolarHBondContact O-N 3.45Å; T147-E168 WeakPolarHBondContact CA-O 3.41Å; T147-E168 HydrophobicContact CG2-CB 4.28Å; T147-K170 PolarHBondContact O-N 3.03Å; T147-E171 PolarHBondContact O-N 2.94Å; T147-E171 VanDerWaalsContact O-N 3.12Å
148K95.8Very high91.5Very high71 Ų7147.6 Ų47.631%0.30925%0.247SC..EExtended strand (participates in β ladder)trans-141.3119.4-174.9-65-172.6-174.6-132.20109.5L124 F125 L126 Y150 E171L124-K148 PolarHBondContact O-N 3.34Å; F125-K148 WeakPolarHBondContact CA-O 3.48Å; F125-K148 HydrophobicContact CD2-CB 3.47Å; F125-K148 VanDerWaalsContact CD2-CB 3.47Å; F125-K148 HydrophobicContact CD2-CD 3.81Å; F125-K148 HydrophobicContact CD2-CG 4.25Å; F125-K148 HydrophobicContact CE2-CB 4.06Å; F125-K148 HydrophobicContact CE2-CD 4.19Å; F125-K148 HydrophobicContact CG-CB 4.48Å; L126-K148 PolarHBondContact N-O 3.29Å; K148-Y150 HydrophobicContact CB-CE1 4.34Å; K148-E171 WeakPolarHBondContact CA-O 3.44Å; K148-E171 HydrophobicContact CB-CB 4.47Å; K148-E171 VanDerWaalsContact CE-OE1 3.29Å; K148-E171 WeakPolarHBondContact CE-OE1 3.33Å; K148-E171 HydrophobicContact CG-CB 4.13Å; K148-E171 HydrophobicContact CG-CG 4.33Å; K148-E171 IonicContact NZ-OE1 3.78Å; K148-E171 PolarHBondContact NZ-OE1 3.46Å; K148-E171 IonicContact NZ-OE2 3.94Å; K148-E171 PolarHBondContact NZ-OE2 2.96Å
149L96.3Very high91.7Very high0 Ų044.2 Ų44.20%022%0.224CC..EExtended strand (participates in β ladder)trans-127.6109.7-177.9178.458.6000109.7L126 F140 I146 L151 L163 L169 E171 L172 T173L126-L149 HydrophobicContact CB-CD1 4.03Å; L126-L149 HydrophobicContact CD2-CD1 3.88Å; L126-L149 HydrophobicContact CG-CD1 4.13Å; L126-L149 WeakPolarHBondContact O-CA 3.39Å; F140-L149 HydrophobicContact CD1-CD2 4.44Å; F140-L149 HydrophobicContact CE1-CD1 4.04Å; F140-L149 HydrophobicContact CE1-CD2 3.74Å; F140-L149 HydrophobicContact CZ-CD1 4.16Å; I146-L149 HydrophobicContact CD1-CB 4.24Å; I146-L149 HydrophobicContact CD1-CD1 4.1Å; L149-L151 HydrophobicContact CD1-CD2 3.81Å; L149-L151 HydrophobicContact CD1-CG 4.22Å; L149-L151 HydrophobicContact CD2-CD1 4.1Å; L149-L151 HydrophobicContact CD2-CG 4.47Å; L149-L151 HydrophobicContact CG-CD1 4.12Å; L149-L151 HydrophobicContact CG-CD2 4.11Å; L149-L151 HydrophobicContact CG-CG 3.96Å; L149-L163 HydrophobicContact CD2-CD1 4.07Å; L149-L169 HydrophobicContact CB-CD1 3.84Å; L149-E171 PolarHBondContact N-O 3.32Å; L149-L172 HydrophobicContact CB-CD1 4.08Å; L149-L172 HydrophobicContact CD2-CD1 3.93Å; L149-L172 HydrophobicContact CG-CD1 3.93Å; L149-L172 VanDerWaalsContact O-CA 3.28Å; L149-L172 WeakPolarHBondContact O-CA 3.29Å; L149-L172 WeakPolarHBondContact O-CD1 3.25Å; L149-T173 PolarHBondContact O-N 3.44Å; L149-T173 VanDerWaalsContact O-N 3.07Å
150Y96.8Very high91.8Very high43 Ų4340.9 Ų40.917%0.16921%0.209CC..EExtended strand (participates in β ladder)trans-108.8117-177.5-59.7-14.4000111.4F125 L126 N127 V128 E129 K148 E171 T173F125-Y150 AromaticContact CE2-CD2 3.9Å; F125-Y150 HydrophobicContact CE2-CD2 3.9Å; F125-Y150 AromaticContact CE2-CE2 3.56Å; F125-Y150 HydrophobicContact CE2-CE2 3.56Å; F125-Y150 AromaticContact CE2-CZ 3.95Å; F125-Y150 AromaticContact CZ-CD2 3.95Å; F125-Y150 HydrophobicContact CZ-CD2 3.95Å; F125-Y150 AromaticContact CZ-CE2 3.87Å; F125-Y150 HydrophobicContact CZ-CE2 3.87Å; L126-Y150 PolarHBondContact O-N 3.44Å; N127-Y150 HydrophobicContact CB-CD2 4.27Å; V128-Y150 WeakPolarHBondContact CG2-O 3.32Å; V128-Y150 PolarHBondContact N-O 2.87Å; E129-Y150 PolarHBondContact N-O 3.02Å; K148-Y150 HydrophobicContact CB-CE1 4.34Å; Y150-E171 HydrophobicContact CE1-CB 3.97Å; Y150-E171 PolarHBondContact OH-OE2 3.45Å; Y150-T173 WeakPolarHBondContact CA-OG1 3.35Å; Y150-T173 WeakPolarHBondContact CB-OG1 3.47Å; Y150-T173 HydrophobicContact CD1-CG2 3.62Å; Y150-T173 HydrophobicContact CE1-CG2 4.02Å; Y150-T173 HydrophobicContact CG-CG2 4.13Å
151L93.8Very high91.6Very high0 Ų044.1 Ų44.10%022%0.223CC..  trans-126.60-172.7-52.2171.1000113.3V128 L136 L149 N154 L156 L159 L172 T173V128-L151 HydrophobicContact CG2-CD2 3.43Å; V128-L151 VanDerWaalsContact CG2-CD2 3.43Å; L136-L151 HydrophobicContact CD1-CD1 3.83Å; L136-L151 HydrophobicContact CD1-CD2 4.47Å; L136-L151 HydrophobicContact CD2-CD2 4.03Å; L149-L151 HydrophobicContact CD1-CD2 3.81Å; L149-L151 HydrophobicContact CD1-CG 4.22Å; L149-L151 HydrophobicContact CD2-CD1 4.1Å; L149-L151 HydrophobicContact CD2-CG 4.47Å; L149-L151 HydrophobicContact CG-CD1 4.12Å; L149-L151 HydrophobicContact CG-CD2 4.11Å; L149-L151 HydrophobicContact CG-CG 3.96Å; L151-N154 WeakPolarHBondContact O-CB 3.32Å; L151-N154 PolarHBondContact O-N 2.59Å; L151-N154 PolarHBondContact O-ND2 3.4Å; L151-L156 HydrophobicContact CB-CD1 3.84Å; L151-L156 HydrophobicContact CD1-CD1 3.89Å; L151-L156 HydrophobicContact CG-CD1 4.33Å; L151-L159 HydrophobicContact CD1-CD2 4.06Å; L151-L172 HydrophobicContact CD1-CD1 3.9Å; L151-L172 HydrophobicContact CG-CD1 4.4Å; L151-T173 CarbonylContact C-O 3.56Å; L151-T173 WeakPolarHBondContact CA-O 3.39Å; L151-T173 WeakPolarHBondContact CB-O 3.35Å; L151-T173 PolarHBondContact N-O 2.91Å; L151-T173 PolarHBondContact N-OG1 2.82Å; L151-T173 VanDerWaalsContact N-OG1 3.14Å
152K91.9Very high91.8Very high105 Ų10546.3 Ų46.346%0.45723%0.232SC..  trans-50.6148179.7-166.6178.8177.8-179.80112.1E129 D130 N154 T173E129-K152 CarbonylContact C-O 3.57Å; E129-K152 WeakPolarHBondContact CA-O 3.48Å; E129-K152 WeakPolarHBondContact CB-O 3.35Å; E129-K152 HydrophobicContact CG-CB 3.93Å; E129-K152 VanDerWaalsContact OE1-CB 3.23Å; E129-K152 WeakPolarHBondContact OE1-CB 3.37Å; D130-K152 PolarHBondContact N-O 2.89Å; K152-N154 VanDerWaalsContact C-N 3.32Å; K152-N154 PolarHBondContact O-N 2.68Å; K152-N154 PolarHBondContact O-ND2 2.78Å; K152-T173 PolarHBondContact N-O 3.3Å; K152-T173 PolarHBondContact N-OG1 3.34Å
153N91.5Very high91.8Very high82 Ų8240.8 Ų40.844%0.43921%0.208SC..SBendtrans59.441.8-178.6-59.9-18.4000112.8D130 N131 S175D130-N153 WeakPolarHBondContact OD1-CB 3.47Å; D130-N153 PolarHBondContact OD1-ND2 2.98Å; N131-N153 PolarHBondContact N-O 3.3Å; N153-S175 PolarHBondContact N-OG 3.39Å
154N91.8Very high91.5Very high6 Ų641.2 Ų41.23%0.03221%0.211CC..SBendtrans-121.2144.3164.2-76.5-83000109.8V128 N131 R132 L133 L151 K152 L156V128-N154 PolarHBondContact O-ND2 3.36Å; N131-N154 VanDerWaalsContact CA-OD1 3.32Å; N131-N154 WeakPolarHBondContact CA-OD1 3.48Å; N131-N154 WeakPolarHBondContact CB-OD1 3.41Å; N131-N154 PolarHBondContact O-OD1 3.47Å; R132-N154 PolarHBondContact N-OD1 3.4Å; L133-N154 HydrophobicContact CB-CB 4.12Å; L133-N154 VanDerWaalsContact CB-OD1 3.3Å; L133-N154 WeakPolarHBondContact CB-OD1 3.26Å; L133-N154 WeakPolarHBondContact CG-OD1 3.32Å; L133-N154 PolarHBondContact N-OD1 3.32Å; L151-N154 WeakPolarHBondContact O-CB 3.32Å; L151-N154 PolarHBondContact O-N 2.59Å; L151-N154 PolarHBondContact O-ND2 3.4Å; K152-N154 VanDerWaalsContact C-N 3.32Å; K152-N154 PolarHBondContact O-N 2.68Å; K152-N154 PolarHBondContact O-ND2 2.78Å; N154-L156 HydrophobicContact CB-CD1 4.37Å; N154-L156 HydrophobicContact CB-CG 3.99Å; N154-L156 PolarHBondContact O-N 3.17Å
155P90.8Very high91.5Very high54 Ų5438.5 Ų38.535%0.35120%0.196SC..  trans-77.348.7175.635.1-37.5000112.4L133 T134 S157L133-P155 CarbonylContact O-C 3.5Å; L133-P155 VanDerWaalsContact O-C 3.32Å; L133-P155 VanDerWaalsContact O-CD 3.28Å; L133-P155 WeakPolarHBondContact O-CD 3.36Å; T134-P155 HydrophobicContact CG2-CG 4.34Å; P155-S157 PolarHBondContact O-N 2.93Å
156L89.8Confident91.4Very high7 Ų734.8 Ų34.84%0.03718%0.178CC..  trans-67122.2180-72.6172.2000110.3L133 L136 L151 N154 H178L133-L156 HydrophobicContact CB-CD2 4.07Å; L133-L156 PolarHBondContact O-N 3.46Å; L136-L156 HydrophobicContact CG-CD2 4.39Å; L151-L156 HydrophobicContact CB-CD1 3.84Å; L151-L156 HydrophobicContact CD1-CD1 3.89Å; L151-L156 HydrophobicContact CG-CD1 4.33Å; N154-L156 HydrophobicContact CB-CD1 4.37Å; N154-L156 HydrophobicContact CB-CG 3.99Å; N154-L156 PolarHBondContact O-N 3.17Å; L156-H178 CarbonylContact O-C 3.58Å
157S88.3Confident91Very high55 Ų5542.8 Ų42.839%0.38521%0.213SC..  trans-84.5-31.1176.5-590000112.2T134 P155 Q180 Y181T134-S157 PolarHBondContact O-N 3.39Å; T134-S157 VanDerWaalsContact O-N 3.11Å; P155-S157 PolarHBondContact O-N 2.93Å; S157-Q180 PolarHBondContact O-N 2.84Å; S157-Y181 PolarHBondContact O-N 3.24Å
158S89.4Confident90.8Very high50 Ų5045.9 Ų45.935%0.3523%0.226SC..BIsolated β-bridgetrans-152.5157.5178.960.80000113Y181S158-Y181 CarbonylContact C-O 3.1Å; S158-Y181 WeakPolarHBondContact CA-O 3.37Å
159L90.9Very high90.6Very high2 Ų243.2 Ų43.21%0.0122%0.215CC..  trans-101.5141.1166.9-62.1172.5000109.8L136 L151 I179 Y181 I194L136-L159 HydrophobicContact CD1-CD2 4.04Å; L151-L159 HydrophobicContact CD1-CD2 4.06Å; L159-I179 HydrophobicContact CD1-CD1 3.86Å; L159-I179 HydrophobicContact CG-CD1 3.74Å; L159-Y181 PolarHBondContact N-O 3.48Å; L159-Y181 WeakPolarHBondContact O-CD1 3.46Å; L159-I194 HydrophobicContact CD1-CG2 4.29Å
160P90.3Very high90.3Very high15 Ų1549.9 Ų49.910%0.09724%0.244CC..  trans-68.3143.5177.828-33.7000111.1L136 F140 Q162 L163L136-P160 HydrophobicContact CB-CG 4.13Å; F140-P160 HydrophobicContact CB-CG 4.06Å; P160-Q162 PolarHBondContact O-N 3.34Å; P160-L163 VanDerWaalsContact O-CB 3.26Å; P160-L163 WeakPolarHBondContact O-CB 3.3Å; P160-L163 PolarHBondContact O-N 2.89Å; P160-L163 VanDerWaalsContact O-N 3.1Å
161K87.5Confident90.1Very high68 Ų6851.3 Ų51.330%0.29625%0.252SS..G310 helixtrans-58.1-35.3178.6-63-170.1175-1490112.5L163 C164 Y181 E201 E202K161-L163 PolarHBondContact O-N 3.32Å; K161-C164 PolarHBondContact O-N 2.79Å; K161-C164 VanDerWaalsContact O-N 3.17Å; K161-C164 PolarHBondContact O-SG 3.38Å; K161-Y181 VanDerWaalsContact CE-OH 3.22Å; K161-Y181 WeakPolarHBondContact CE-OH 3.42Å; K161-Y181 HydrophobicContact CG-CE1 4Å; K161-Y181 WeakPolarHBondContact CG-OH 3.43Å; K161-E201 IonicContact NZ-OE2 2.62Å; K161-E201 PolarHBondContact NZ-OE2 3.46Å; K161-E202 HydrophobicContact CB-CG 3.94Å; K161-E202 VanDerWaalsContact CB-OE1 3.31Å; K161-E202 WeakPolarHBondContact CB-OE1 3.41Å; K161-E202 WeakPolarHBondContact CD-OE1 3.26Å
162Q89.2Confident90Very high52 Ų5252.7 Ų52.724%0.24326%0.259CS..G310 helixtrans-61.7-11.6179.4-63.478.55.600113.7S138 G141 P160 C164 Y165S138-Q162 WeakPolarHBondContact O-CB 3.17Å; S138-Q162 VanDerWaalsContact O-CG 3.22Å; S138-Q162 WeakPolarHBondContact O-CG 3.24Å; S138-Q162 PolarHBondContact O-OE1 3.08Å; S138-Q162 VanDerWaalsContact O-OE1 3.12Å; G141-Q162 WeakPolarHBondContact CA-O 3.49Å; P160-Q162 PolarHBondContact O-N 3.34Å; Q162-C164 PolarHBondContact O-N 2.75Å; Q162-Y165 HydrophobicContact CB-CD2 3.86Å; Q162-Y165 HydrophobicContact CB-CE2 4.04Å; Q162-Y165 HydrophobicContact CG-CD2 4.26Å; Q162-Y165 HydrophobicContact CG-CE2 3.96Å; Q162-Y165 WeakPolarHBondContact O-CB 3.44Å; Q162-Y165 VanDerWaalsContact O-CD2 3.3Å; Q162-Y165 WeakPolarHBondContact O-CD2 3.47Å; Q162-Y165 PolarHBondContact O-N 3.42Å; Q162-Y165 VanDerWaalsContact O-N 3.08Å
163L89.7Confident90Very high0 Ų049.6 Ų49.60%025%0.249CC..G310 helixtrans-58.6-24.9172.3-160110.2000111.7L136 F140 L149 P160 K161 Y165 L166 L169 L172 I194 M195 L198L136-L163 HydrophobicContact CD1-CD1 4.49Å; F140-L163 HydrophobicContact CD1-CD1 4.47Å; L149-L163 HydrophobicContact CD2-CD1 4.07Å; P160-L163 VanDerWaalsContact O-CB 3.26Å; P160-L163 WeakPolarHBondContact O-CB 3.3Å; P160-L163 PolarHBondContact O-N 2.89Å; P160-L163 VanDerWaalsContact O-N 3.1Å; K161-L163 PolarHBondContact O-N 3.32Å; L163-Y165 PolarHBondContact O-N 2.84Å; L163-L166 HydrophobicContact CD1-CD1 4.14Å; L163-L166 HydrophobicContact CG-CD1 3.95Å; L163-L166 WeakPolarHBondContact O-CB 3.41Å; L163-L166 WeakPolarHBondContact O-CG 3.29Å; L163-L166 PolarHBondContact O-N 2.87Å; L163-L169 HydrophobicContact CD2-CD2 4.41Å; L163-L172 HydrophobicContact CD2-CD2 4.29Å; L163-I194 HydrophobicContact CD2-CG2 4.35Å; L163-M195 HydrophobicContact CD2-SD 4.13Å; L163-M195 WeakPolarHBondContact O-CE 3.49Å; L163-L198 HydrophobicContact CB-CD1 3.8Å; L163-L198 HydrophobicContact CD2-CD1 4.01Å
164C86.4Confident89.9Confident10 Ų1047 Ų477%0.06824%0.235CC..G310 helixtrans-62.5-19.9175.271.30000113.9K161 Q162 L166 L198K161-C164 PolarHBondContact O-N 2.79Å; K161-C164 VanDerWaalsContact O-N 3.17Å; K161-C164 PolarHBondContact O-SG 3.38Å; Q162-C164 PolarHBondContact O-N 2.75Å; C164-L166 PolarHBondContact O-N 3.23Å; C164-L198 HydrophobicContact CB-CB 3.91Å
165Y88.5Confident89.6Confident76 Ų7647.6 Ų47.630%0.29824%0.24SC..G310 helixtrans-76.5-9.7178.3-60.3-49.3000113.4Q162 L163 K167 E202 M204Q162-Y165 HydrophobicContact CB-CD2 3.86Å; Q162-Y165 HydrophobicContact CB-CE2 4.04Å; Q162-Y165 HydrophobicContact CG-CD2 4.26Å; Q162-Y165 HydrophobicContact CG-CE2 3.96Å; Q162-Y165 WeakPolarHBondContact O-CB 3.44Å; Q162-Y165 VanDerWaalsContact O-CD2 3.3Å; Q162-Y165 WeakPolarHBondContact O-CD2 3.47Å; Q162-Y165 PolarHBondContact O-N 3.42Å; Q162-Y165 VanDerWaalsContact O-N 3.08Å; L163-Y165 PolarHBondContact O-N 2.84Å; Y165-K167 PolarHBondContact O-N 2.91Å; Y165-E202 PolarHBondContact OH-OE2 3.37Å; Y165-M204 HydrophobicContact CD1-CE 3.87Å; Y165-M204 HydrophobicContact CD1-SD 4.02Å; Y165-M204 HydrophobicContact CE1-CE 3.74Å; Y165-M204 HydrophobicContact CE1-SD 3.94Å
166L91.2Very high89.1Confident0 Ų046.1 Ų46.10%023%0.23CC..  trans-83.173.7-178.1-52.7-179.3000111.3F140 L143 I146 L163 C164 E168 L169 M195F140-L166 HydrophobicContact CD1-CD1 4.32Å; L143-L166 HydrophobicContact CB-CD2 4.28Å; L143-L166 VanDerWaalsContact O-CD2 3.28Å; L143-L166 WeakPolarHBondContact O-CD2 3.35Å; I146-L166 HydrophobicContact CG2-CB 4.14Å; I146-L166 HydrophobicContact CG2-CD1 3.65Å; I146-L166 HydrophobicContact CG2-CD2 3.8Å; I146-L166 HydrophobicContact CG2-CG 4.07Å; L163-L166 HydrophobicContact CD1-CD1 4.14Å; L163-L166 HydrophobicContact CG-CD1 3.95Å; L163-L166 WeakPolarHBondContact O-CB 3.41Å; L163-L166 WeakPolarHBondContact O-CG 3.29Å; L163-L166 PolarHBondContact O-N 2.87Å; C164-L166 PolarHBondContact O-N 3.23Å; L166-E168 VanDerWaalsContact C-N 3.25Å; L166-E168 PolarHBondContact O-N 3.32Å; L166-L169 HydrophobicContact CB-CB 4.03Å; L166-L169 HydrophobicContact CB-CD2 4.46Å; L166-L169 HydrophobicContact CD1-CD2 4.28Å; L166-L169 VanDerWaalsContact O-CB 3.32Å; L166-L169 WeakPolarHBondContact O-CB 3.29Å; L166-L169 PolarHBondContact O-N 3.16Å; L166-M195 WeakPolarHBondContact O-CE 3.45Å
167K86.8Confident88.5Confident168 Ų16852.3 Ų52.373%0.7326%0.263SS*.THydrogen-bonded Turntrans-63.8-27.1-174-63.1-176.5-179.5-179.40114.5Y165Y165-K167 PolarHBondContact O-N 2.91Å
168E90.3Very high88.1Confident100 Ų10055.2 Ų55.247%0.46727%0.271SS..THydrogen-bonded Turntrans-89.4-0.9-178.8-63.4-57.5139.400113.5I146 T147 L166 K170I146-E168 CarbonylContact O-C 3.59Å; T147-E168 WeakPolarHBondContact CA-O 3.41Å; T147-E168 HydrophobicContact CG2-CB 4.28Å; L166-E168 VanDerWaalsContact C-N 3.25Å; L166-E168 PolarHBondContact O-N 3.32Å; E168-K170 PolarHBondContact O-N 3.27Å
169L91.3Very high87.9Confident15 Ų1553.3 Ų53.38%0.07926%0.257CS..  trans-67.8120.3-178.3-173.162.9000110.1I146 L149 L163 L166 E171 L191I146-L169 HydrophobicContact CG2-CD1 4.44Å; I146-L169 WeakPolarHBondContact O-CA 3.34Å; I146-L169 PolarHBondContact O-N 2.81Å; L149-L169 HydrophobicContact CB-CD1 3.84Å; L163-L169 HydrophobicContact CD2-CD2 4.41Å; L166-L169 HydrophobicContact CB-CB 4.03Å; L166-L169 HydrophobicContact CB-CD2 4.46Å; L166-L169 HydrophobicContact CD1-CD2 4.28Å; L166-L169 VanDerWaalsContact O-CB 3.32Å; L166-L169 WeakPolarHBondContact O-CB 3.29Å; L166-L169 PolarHBondContact O-N 3.16Å; L169-E171 WeakPolarHBondContact CD1-O 3.43Å; L169-L191 HydrophobicContact CD2-CD1 3.75Å; L169-L191 HydrophobicContact CG-CD1 4.08Å; L169-L191 HydrophobicContact CG-CD2 4.22Å; L169-L191 WeakPolarHBondContact O-CD2 3.09Å
170K90.9Very high87.6Confident140 Ų14060.6 Ų60.661%0.60929%0.29SS*.  trans-113.3-29.1-177.7-68.4172.2-171.8177.80112.8T147 E168 L191T147-K170 PolarHBondContact O-N 3.03Å; E168-K170 PolarHBondContact O-N 3.27Å; K170-L191 VanDerWaalsContact C-CD2 3.42Å; K170-L191 WeakPolarHBondContact O-CD2 3.31Å
171E92.1Very high87.3Confident72 Ų7262.5 Ų62.534%0.33630%0.296SS..EExtended strand (participates in β ladder)trans-133.9125.7-178.6-60.1174.5-153.300110.7T147 K148 L149 Y150 L169T147-E171 PolarHBondContact O-N 2.94Å; T147-E171 VanDerWaalsContact O-N 3.12Å; K148-E171 WeakPolarHBondContact CA-O 3.44Å; K148-E171 HydrophobicContact CB-CB 4.47Å; K148-E171 VanDerWaalsContact CE-OE1 3.29Å; K148-E171 WeakPolarHBondContact CE-OE1 3.33Å; K148-E171 HydrophobicContact CG-CB 4.13Å; K148-E171 HydrophobicContact CG-CG 4.33Å; K148-E171 IonicContact NZ-OE1 3.78Å; K148-E171 PolarHBondContact NZ-OE1 3.46Å; K148-E171 IonicContact NZ-OE2 3.94Å; K148-E171 PolarHBondContact NZ-OE2 2.96Å; L149-E171 PolarHBondContact N-O 3.32Å; Y150-E171 HydrophobicContact CE1-CB 3.97Å; Y150-E171 PolarHBondContact OH-OE2 3.45Å; L169-E171 WeakPolarHBondContact CD1-O 3.43Å
172L92.4Very high87.2Confident29 Ų2959.2 Ų59.215%0.15228%0.282CS..EExtended strand (participates in β ladder)trans-130.4121.3174.5175.962.4000109.3L149 L151 L163 L174 L191 I194L149-L172 HydrophobicContact CB-CD1 4.08Å; L149-L172 HydrophobicContact CD2-CD1 3.93Å; L149-L172 HydrophobicContact CG-CD1 3.93Å; L149-L172 VanDerWaalsContact O-CA 3.28Å; L149-L172 WeakPolarHBondContact O-CA 3.29Å; L149-L172 WeakPolarHBondContact O-CD1 3.25Å; L151-L172 HydrophobicContact CD1-CD1 3.9Å; L151-L172 HydrophobicContact CG-CD1 4.4Å; L163-L172 HydrophobicContact CD2-CD2 4.29Å; L172-L174 HydrophobicContact CD2-CD2 3.94Å; L172-L174 HydrophobicContact CG-CD2 4.03Å; L172-L191 HydrophobicContact CB-CD1 3.89Å; L172-L191 HydrophobicContact CD2-CD1 4.07Å; L172-I194 HydrophobicContact CD2-CD1 3.95Å
173T91Very high87Confident40 Ų4059.7 Ų59.725%0.24529%0.288CS..EExtended strand (participates in β ladder)trans-106.1134.8169.673.50000109.3E129 L149 Y150 L151 K152E129-T173 WeakPolarHBondContact OE1-CB 3.36Å; E129-T173 PolarHBondContact OE1-OG1 2.82Å; L149-T173 PolarHBondContact O-N 3.44Å; L149-T173 VanDerWaalsContact O-N 3.07Å; Y150-T173 WeakPolarHBondContact CA-OG1 3.35Å; Y150-T173 WeakPolarHBondContact CB-OG1 3.47Å; Y150-T173 HydrophobicContact CD1-CG2 3.62Å; Y150-T173 HydrophobicContact CE1-CG2 4.02Å; Y150-T173 HydrophobicContact CG-CG2 4.13Å; L151-T173 CarbonylContact C-O 3.56Å; L151-T173 WeakPolarHBondContact CA-O 3.39Å; L151-T173 WeakPolarHBondContact CB-O 3.35Å; L151-T173 PolarHBondContact N-O 2.91Å; L151-T173 PolarHBondContact N-OG1 2.82Å; L151-T173 VanDerWaalsContact N-OG1 3.14Å; K152-T173 PolarHBondContact N-O 3.3Å; K152-T173 PolarHBondContact N-OG1 3.34Å
174L89.1Confident86.6Confident28 Ų2861.1 Ų61.115%0.14730%0.298CS..  trans-151.4152.3179.273.3108.3000110.6L172 I179 C187 I194L172-L174 HydrophobicContact CD2-CD2 3.94Å; L172-L174 HydrophobicContact CG-CD2 4.03Å; L174-I179 HydrophobicContact CD1-CD1 3.93Å; L174-I179 HydrophobicContact CD1-CG2 4.49Å; L174-C187 HydrophobicContact CD1-CB 3.68Å; L174-C187 HydrophobicContact CD2-CB 4.41Å; L174-I194 HydrophobicContact CD2-CD1 3.52Å
175S85.4Confident86.5Confident19 Ų1966 Ų6613%0.13332%0.324CS..  trans-87.9119.5172.3-71.40000109.8N153 D177N153-S175 PolarHBondContact N-OG 3.39Å; S175-D177 VanDerWaalsContact C-N 3.28Å; S175-D177 PolarHBondContact O-N 3.13Å
176C80Confident86.3Confident23 Ų2363.9 Ų63.916%0.15532%0.317CS..THydrogen-bonded Turntrans-80.8-5.6-176.8-61.80000113.7S184 K188C176-S184 WeakPolarHBondContact O-CB 3.47Å; C176-S184 PolarHBondContact O-OG 3.42Å; C176-K188 HydrophobicContact CB-CG 4Å
177D78Confident86Confident137 Ų13764.2 Ų64.273%0.73332%0.319SS*.THydrogen-bonded Turntrans-74.2-28.1-170.1-55.3-37.2000113.6S175S175-D177 VanDerWaalsContact C-N 3.28Å; S175-D177 PolarHBondContact O-N 3.13Å
178H79.9Confident86Confident116 Ų11662.5 Ų62.554%0.53731%0.312SS..SBendtrans-118.3-3.3-173.9-58.289000113.4L156 Q180L156-H178 CarbonylContact O-C 3.58Å; H178-Q180 PolarHBondContact O-N 3.45Å
179I85.2Confident85.7Confident10 Ų1064.2 Ų64.25%0.05132%0.323CS..  trans-78.9120.8-175-159.8164.1000110.6L159 L174 C187L159-I179 HydrophobicContact CD1-CD1 3.86Å; L159-I179 HydrophobicContact CG-CD1 3.74Å; L174-I179 HydrophobicContact CD1-CD1 3.93Å; L174-I179 HydrophobicContact CD1-CG2 4.49Å; I179-C187 VanDerWaalsContact CD1-SG 3.59Å; I179-C187 HydrophobicContact CG2-CB 4.14Å
180Q84.6Confident85.5Confident155 Ų15564.9 Ų64.972%0.72433%0.334SS*.THydrogen-bonded Turntrans-95.9-32.1176.3-62.5-176.9-1.600111.4S157 H178 P182S157-Q180 PolarHBondContact O-N 2.84Å; H178-Q180 PolarHBondContact O-N 3.45Å; Q180-P182 CarbonylContact C-O 3.49Å
181Y84.7Confident85.4Confident54 Ų5459.8 Ų59.821%0.21231%0.313CS..BIsolated β-bridgetrans-139.6118-177.7-176.8-95.5000112S157 S158 L159 K161 Y197 L198S157-Y181 PolarHBondContact O-N 3.24Å; S158-Y181 CarbonylContact C-O 3.1Å; S158-Y181 WeakPolarHBondContact CA-O 3.37Å; L159-Y181 PolarHBondContact N-O 3.48Å; L159-Y181 WeakPolarHBondContact O-CD1 3.46Å; K161-Y181 VanDerWaalsContact CE-OH 3.22Å; K161-Y181 WeakPolarHBondContact CE-OH 3.42Å; K161-Y181 HydrophobicContact CG-CE1 4Å; K161-Y181 WeakPolarHBondContact CG-OH 3.43Å; Y181-Y197 HydrophobicContact CD2-CE1 4.47Å; Y181-Y197 AromaticContact CE2-CE1 3.87Å; Y181-Y197 HydrophobicContact CE2-CE1 3.87Å; Y181-L198 HydrophobicContact CE1-CD2 4.07Å
182P84.5Confident85.3Confident0 Ų062.7 Ų62.70%033%0.327CS..THydrogen-bonded Turncis-56.5166.5-11.1-20.832.5000112.2Q180 I186 I194 Y197 L198Q180-P182 CarbonylContact C-O 3.49Å; P182-I186 HydrophobicContact CB-CB 4.22Å; P182-I186 HydrophobicContact CB-CG2 4.1Å; P182-I194 HydrophobicContact CG-CG2 4.35Å; P182-Y197 HydrophobicContact CB-CD1 3.69Å; P182-Y197 HydrophobicContact CB-CE1 3.84Å; P182-Y197 HydrophobicContact CG-CD1 3.87Å; P182-Y197 HydrophobicContact CG-CE1 4.24Å; P182-L198 HydrophobicContact CG-CD2 3.92Å; P182-L198 HydrophobicContact CG-CG 4.3Å
183T84.4Confident85.1Confident62 Ų6262.5 Ų62.538%0.3833%0.33SS..THydrogen-bonded Turntrans-60.2148.8178.159.40000110.8D185 I186 C187T183-D185 PolarHBondContact O-N 2.97Å; T183-D185 VanDerWaalsContact O-N 3.09Å; T183-I186 PolarHBondContact O-N 2.95Å; T183-I186 WeakPolarHBondContact OG1-CD1 3.32Å; T183-I186 WeakPolarHBondContact OG1-CG1 3.28Å; T183-C187 PolarHBondContact O-N 3.21Å; T183-C187 PolarHBondContact O-SG 3.39Å
184S81.6Confident85Confident29 Ų2960.7 Ų60.720%0.20332%0.318CS..Hα-helixtrans-51-35.9178.8-174.10000112.6C176 C187 K188C176-S184 WeakPolarHBondContact O-CB 3.47Å; C176-S184 PolarHBondContact O-OG 3.42Å; S184-C187 PolarHBondContact O-N 3.13Å; S184-K188 VanDerWaalsContact O-CG 3.29Å; S184-K188 WeakPolarHBondContact O-CG 3.43Å; S184-K188 PolarHBondContact O-N 2.9Å; S184-K188 WeakPolarHBondContact OG-CE 3.37Å
185D84.6Confident85.1Confident113 Ų11361 Ų6160%0.60432%0.319SS*.Hα-helixtrans-66.8-40.7-180-56.7-35.2000112.5T183 C187 K188T183-D185 PolarHBondContact O-N 2.97Å; T183-D185 VanDerWaalsContact O-N 3.09Å; D185-C187 VanDerWaalsContact C-N 3.34Å; D185-K188 PolarHBondContact O-N 3.45Å
186I84.9Confident85.2Confident32 Ų3262.7 Ų62.716%0.16433%0.327CS..Hα-helixtrans-66.2-42174.2-65171.8000109.9P182 T183 K188 L189 A193 I194 Y197P182-I186 HydrophobicContact CB-CB 4.22Å; P182-I186 HydrophobicContact CB-CG2 4.1Å; T183-I186 PolarHBondContact O-N 2.95Å; T183-I186 WeakPolarHBondContact OG1-CD1 3.32Å; T183-I186 WeakPolarHBondContact OG1-CG1 3.28Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 3.22Å; I186-L189 WeakPolarHBondContact O-CB 3.48Å; I186-L189 PolarHBondContact O-N 3.09Å; I186-L189 VanDerWaalsContact O-N 3.11Å; I186-A193 HydrophobicContact CG2-CB 4.43Å; I186-I194 HydrophobicContact CG2-CG1 4.4Å; I186-Y197 HydrophobicContact CD1-CD1 4.19Å; I186-Y197 HydrophobicContact CD1-CD2 3.33Å; I186-Y197 HydrophobicContact CD1-CE1 4.34Å; I186-Y197 HydrophobicContact CD1-CE2 3.5Å; I186-Y197 HydrophobicContact CD1-CG 3.68Å; I186-Y197 HydrophobicContact CG2-CG 4.34Å
187C84.7Confident85.6Confident6 Ų664.8 Ų64.84%0.04133%0.332CS..Hα-helixtrans-65.3-31.6-177.9-60.60000112.8L174 I179 T183 S184 D185 L189 G190 I194L174-C187 HydrophobicContact CD1-CB 3.68Å; L174-C187 HydrophobicContact CD2-CB 4.41Å; I179-C187 VanDerWaalsContact CD1-SG 3.59Å; I179-C187 HydrophobicContact CG2-CB 4.14Å; T183-C187 PolarHBondContact O-N 3.21Å; T183-C187 PolarHBondContact O-SG 3.39Å; S184-C187 PolarHBondContact O-N 3.13Å; D185-C187 VanDerWaalsContact C-N 3.34Å; C187-L189 VanDerWaalsContact C-N 3.31Å; C187-L189 PolarHBondContact O-N 3.41Å; C187-G190 PolarHBondContact O-N 2.93Å; C187-I194 HydrophobicContact CB-CD1 4.38Å
188K85.7Confident86.1Confident132 Ų13258.2 Ų58.257%0.57430%0.297SS*.Hα-helixtrans-70.3-23.3175-72.7168.1-171163.90113.8C176 S184 D185 I186 G190C176-K188 HydrophobicContact CB-CG 4Å; S184-K188 VanDerWaalsContact O-CG 3.29Å; S184-K188 WeakPolarHBondContact O-CG 3.43Å; S184-K188 PolarHBondContact O-N 2.9Å; S184-K188 WeakPolarHBondContact OG-CE 3.37Å; D185-K188 PolarHBondContact O-N 3.45Å; I186-K188 VanDerWaalsContact C-N 3.26Å; I186-K188 PolarHBondContact O-N 3.22Å; K188-G190 PolarHBondContact O-N 3.43Å
189L84.6Confident86.5Confident136 Ų13653.3 Ų53.371%0.71228%0.275SS*.THydrogen-bonded Turntrans-72.7-12.9176.5-66.7172.1000112.6I186 C187 A193I186-L189 WeakPolarHBondContact O-CB 3.48Å; I186-L189 PolarHBondContact O-N 3.09Å; I186-L189 VanDerWaalsContact O-N 3.11Å; C187-L189 VanDerWaalsContact C-N 3.31Å; C187-L189 PolarHBondContact O-N 3.41Å; L189-A193 HydrophobicContact CB-CB 3.47Å; L189-A193 VanDerWaalsContact CB-CB 3.47Å; L189-A193 HydrophobicContact CD1-CB 4.12Å; L189-A193 HydrophobicContact CG-CB 4.45Å
190G87.4Confident86.5Confident29 Ų2959.4 Ų59.430%0.29930%0.302SS..  trans97.7-173.6175.500000113.9C187 K188 E192 A193 I194C187-G190 PolarHBondContact O-N 2.93Å; K188-G190 PolarHBondContact O-N 3.43Å; G190-E192 PolarHBondContact O-N 2.93Å; G190-A193 PolarHBondContact O-N 2.84Å; G190-I194 WeakPolarHBondContact O-CG1 3.22Å; G190-I194 PolarHBondContact O-N 3.39Å
191L89.7Confident86.4Confident34 Ų3456.4 Ų56.418%0.17829%0.288CS..Hα-helixtrans-59.2-45.5-168.7176.160.1000113.4L169 K170 L172 A193 I194 M195L169-L191 HydrophobicContact CD2-CD1 3.75Å; L169-L191 HydrophobicContact CG-CD1 4.08Å; L169-L191 HydrophobicContact CG-CD2 4.22Å; L169-L191 WeakPolarHBondContact O-CD2 3.09Å; K170-L191 VanDerWaalsContact C-CD2 3.42Å; K170-L191 WeakPolarHBondContact O-CD2 3.31Å; L172-L191 HydrophobicContact CB-CD1 3.89Å; L172-L191 HydrophobicContact CD2-CD1 4.07Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 2.74Å; L191-I194 PolarHBondContact O-N 3.26Å; L191-M195 HydrophobicContact CD1-CG 3.75Å; L191-M195 HydrophobicContact CD1-SD 4.38Å; L191-M195 HydrophobicContact CG-CG 4.29Å; L191-M195 WeakPolarHBondContact O-CG 3.28Å; L191-M195 PolarHBondContact O-N 3.36Å
192E88.7Confident86.1Confident133 Ų13357.1 Ų57.162%0.62129%0.293SS*.Hα-helixtrans-59.6-44.5-177.9-66.8-176.4176.100111.9G190 I194 M195 D196G190-E192 PolarHBondContact O-N 2.93Å; E192-I194 PolarHBondContact O-N 3.17Å; E192-M195 PolarHBondContact O-N 3.17Å; E192-D196 WeakPolarHBondContact O-CB 3.42Å; E192-D196 PolarHBondContact O-N 3.31Å
193A88.6Confident85.5Confident25 Ų2560.4 Ų60.421%0.20733%0.327CS..Hα-helixtrans-66.8-36.9178.900000112.3I186 L189 G190 L191 Y197I186-A193 HydrophobicContact CG2-CB 4.43Å; L189-A193 HydrophobicContact CB-CB 3.47Å; L189-A193 VanDerWaalsContact CB-CB 3.47Å; L189-A193 HydrophobicContact CD1-CB 4.12Å; L189-A193 HydrophobicContact CG-CB 4.45Å; G190-A193 PolarHBondContact O-N 2.84Å; L191-A193 VanDerWaalsContact C-N 3.34Å; L191-A193 PolarHBondContact O-N 2.74Å; A193-Y197 VanDerWaalsContact O-CB 3.31Å; A193-Y197 WeakPolarHBondContact O-CB 3.38Å; A193-Y197 PolarHBondContact O-N 2.91Å
194I89.7Confident84.2Confident1 Ų161.4 Ų61.41%0.00533%0.328CS..Hα-helixtrans-63.9-48.9174.6-66.1165.1000110L159 L163 L172 L174 P182 I186 C187 G190 L191 E192 Y197 L198L159-I194 HydrophobicContact CD1-CG2 4.29Å; L163-I194 HydrophobicContact CD2-CG2 4.35Å; L172-I194 HydrophobicContact CD2-CD1 3.95Å; L174-I194 HydrophobicContact CD2-CD1 3.52Å; P182-I194 HydrophobicContact CG-CG2 4.35Å; I186-I194 HydrophobicContact CG2-CG1 4.4Å; C187-I194 HydrophobicContact CB-CD1 4.38Å; G190-I194 WeakPolarHBondContact O-CG1 3.22Å; G190-I194 PolarHBondContact O-N 3.39Å; L191-I194 PolarHBondContact O-N 3.26Å; E192-I194 PolarHBondContact O-N 3.17Å; I194-Y197 PolarHBondContact O-N 3.44Å; I194-L198 HydrophobicContact CG2-CD1 3.91Å; I194-L198 HydrophobicContact CG2-CG 4.38Å; I194-L198 VanDerWaalsContact O-CG 3.29Å; I194-L198 WeakPolarHBondContact O-CG 3.32Å; I194-L198 PolarHBondContact O-N 2.93Å
195M90Very high82.8Confident35 Ų3569.5 Ų69.517%0.17236%0.36CS..Hα-helixtrans-65.8-40-178.9-66.9-64.1-80.300112L163 L166 L191 E192 L198 S199L163-M195 HydrophobicContact CD2-SD 4.13Å; L163-M195 WeakPolarHBondContact O-CE 3.49Å; L166-M195 WeakPolarHBondContact O-CE 3.45Å; L191-M195 HydrophobicContact CD1-CG 3.75Å; L191-M195 HydrophobicContact CD1-SD 4.38Å; L191-M195 HydrophobicContact CG-CG 4.29Å; L191-M195 WeakPolarHBondContact O-CG 3.28Å; L191-M195 PolarHBondContact O-N 3.36Å; E192-M195 PolarHBondContact O-N 3.17Å; M195-L198 PolarHBondContact O-N 3.43Å; M195-S199 VanDerWaalsContact O-CB 3.25Å; M195-S199 WeakPolarHBondContact O-CB 3.28Å; M195-S199 PolarHBondContact O-N 2.86Å; M195-S199 PolarHBondContact O-OG 3.31Å
196D88.3Confident80.6Confident55 Ų5567.4 Ų67.429%0.29435%0.353SS..Hα-helixtrans-63.8-41.6174.5-176.554.1000111.8E192 S199 K200E192-D196 WeakPolarHBondContact O-CB 3.42Å; E192-D196 PolarHBondContact O-N 3.31Å; D196-S199 WeakPolarHBondContact CA-OG 3.33Å; D196-S199 PolarHBondContact O-OG 3.01Å; D196-K200 WeakPolarHBondContact O-CD 3.36Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.46Å; D196-K200 PolarHBondContact O-N 3.22Å; D196-K200 VanDerWaalsContact O-N 3.17Å; D196-K200 WeakPolarHBondContact OD1-CE 3.43Å; D196-K200 IonicContact OD1-NZ 3.02Å; D196-K200 PolarHBondContact OD1-NZ 3.02Å; D196-K200 WeakPolarHBondContact OD2-CE 3.14Å; D196-K200 IonicContact OD2-NZ 2.72Å; D196-K200 PolarHBondContact OD2-NZ 2.92Å
197Y88.8Confident78.3Confident66 Ų6671.6 Ų71.626%0.25938%0.384SS..Hα-helixtrans-64.3-46.8175.8-178-100.8000112.5Y181 P182 I186 A193 I194 E201Y181-Y197 HydrophobicContact CD2-CE1 4.47Å; Y181-Y197 AromaticContact CE2-CE1 3.87Å; Y181-Y197 HydrophobicContact CE2-CE1 3.87Å; P182-Y197 HydrophobicContact CB-CD1 3.69Å; P182-Y197 HydrophobicContact CB-CE1 3.84Å; P182-Y197 HydrophobicContact CG-CD1 3.87Å; P182-Y197 HydrophobicContact CG-CE1 4.24Å; I186-Y197 HydrophobicContact CD1-CD1 4.19Å; I186-Y197 HydrophobicContact CD1-CD2 3.33Å; I186-Y197 HydrophobicContact CD1-CE1 4.34Å; I186-Y197 HydrophobicContact CD1-CE2 3.5Å; I186-Y197 HydrophobicContact CD1-CG 3.68Å; I186-Y197 HydrophobicContact CG2-CG 4.34Å; A193-Y197 VanDerWaalsContact O-CB 3.31Å; A193-Y197 WeakPolarHBondContact O-CB 3.38Å; A193-Y197 PolarHBondContact O-N 2.91Å; I194-Y197 PolarHBondContact O-N 3.44Å; Y197-E201 HydrophobicContact CE1-CG 4.48Å; Y197-E201 PolarHBondContact O-N 2.92Å
198L88.6Confident75.9Confident0 Ų077.6 Ų77.60%042%0.416CS..Hα-helixtrans-70.1-35.7-178.9-65179.7000112.5L163 C164 Y181 P182 I194 M195 E201 E202L163-L198 HydrophobicContact CB-CD1 3.8Å; L163-L198 HydrophobicContact CD2-CD1 4.01Å; C164-L198 HydrophobicContact CB-CB 3.91Å; Y181-L198 HydrophobicContact CE1-CD2 4.07Å; P182-L198 HydrophobicContact CG-CD2 3.92Å; P182-L198 HydrophobicContact CG-CG 4.3Å; I194-L198 HydrophobicContact CG2-CD1 3.91Å; I194-L198 HydrophobicContact CG2-CG 4.38Å; I194-L198 VanDerWaalsContact O-CG 3.29Å; I194-L198 WeakPolarHBondContact O-CG 3.32Å; I194-L198 PolarHBondContact O-N 2.93Å; M195-L198 PolarHBondContact O-N 3.43Å; L198-E201 PolarHBondContact O-N 3.05Å; L198-E202 PolarHBondContact O-N 2.65Å; L198-E202 VanDerWaalsContact O-N 3.13Å
199S87.2Confident73.3Confident12 Ų1277.8 Ų77.88%0.08443%0.427CS..Hα-helixtrans-67.9-37.317757.90000112.6M195 D196 E201 E202 G203 M204M195-S199 VanDerWaalsContact O-CB 3.25Å; M195-S199 WeakPolarHBondContact O-CB 3.28Å; M195-S199 PolarHBondContact O-N 2.86Å; M195-S199 PolarHBondContact O-OG 3.31Å; D196-S199 WeakPolarHBondContact CA-OG 3.33Å; D196-S199 PolarHBondContact O-OG 3.01Å; S199-E201 VanDerWaalsContact C-N 3.34Å; S199-E201 PolarHBondContact O-N 3.15Å; S199-E202 PolarHBondContact O-N 2.51Å; S199-G203 PolarHBondContact O-N 2.88Å; S199-G203 VanDerWaalsContact O-N 3.12Å; S199-M204 PolarHBondContact O-N 3.28Å
200K85.1Confident70.8Confident139 Ų13976.7 Ų76.760%0.60443%0.426SS*.Hα-helixtrans-61.6-40.6172.7-76.2169.1179.4164.80112.4D196 G203D196-K200 WeakPolarHBondContact O-CD 3.36Å; D196-K200 VanDerWaalsContact O-CG 3.29Å; D196-K200 WeakPolarHBondContact O-CG 3.46Å; D196-K200 PolarHBondContact O-N 3.22Å; D196-K200 VanDerWaalsContact O-N 3.17Å; D196-K200 WeakPolarHBondContact OD1-CE 3.43Å; D196-K200 IonicContact OD1-NZ 3.02Å; D196-K200 PolarHBondContact OD1-NZ 3.02Å; D196-K200 WeakPolarHBondContact OD2-CE 3.14Å; D196-K200 IonicContact OD2-NZ 2.72Å; D196-K200 PolarHBondContact OD2-NZ 2.92Å; K200-G203 PolarHBondContact O-N 3.28Å
201E82Confident68Low92 Ų9279.4 Ų79.443%0.4345%0.446SS..Hα-helixtrans-68.7-34.6178.3-79.8-76.6132.500113.6K161 Y197 L198 S199 G203K161-E201 IonicContact NZ-OE2 2.62Å; K161-E201 PolarHBondContact NZ-OE2 3.46Å; Y197-E201 HydrophobicContact CE1-CG 4.48Å; Y197-E201 PolarHBondContact O-N 2.92Å; L198-E201 PolarHBondContact O-N 3.05Å; S199-E201 VanDerWaalsContact C-N 3.34Å; S199-E201 PolarHBondContact O-N 3.15Å; E201-G203 VanDerWaalsContact C-N 3.31Å
202E79.3Confident65.1Low68 Ų6884.3 Ų84.332%0.31847%0.472SS..Hα-helixtrans-82.7-5.8174.8-75-75.3124.700113K161 Y165 L198 S199K161-E202 HydrophobicContact CB-CG 3.94Å; K161-E202 VanDerWaalsContact CB-OE1 3.31Å; K161-E202 WeakPolarHBondContact CB-OE1 3.41Å; K161-E202 WeakPolarHBondContact CD-OE1 3.26Å; Y165-E202 PolarHBondContact OH-OE2 3.37Å; L198-E202 PolarHBondContact O-N 2.65Å; L198-E202 VanDerWaalsContact O-N 3.13Å; S199-E202 PolarHBondContact O-N 2.51Å
203G71.1Confident62.4Low69 Ų6985.6 Ų85.671%0.71148%0.478SS*.THydrogen-bonded Turntrans75.321.7-177.300000114.5S199 K200 E201S199-G203 PolarHBondContact O-N 2.88Å; S199-G203 VanDerWaalsContact O-N 3.12Å; K200-G203 PolarHBondContact O-N 3.28Å; E201-G203 VanDerWaalsContact C-N 3.31Å
204M58.2Low59.5Low83 Ų8390.3 Ų90.341%0.40950%0.504SS..PPolyproline II helixtrans-85136.7176.1-102.2-160.3167.500111.9Y165 S199Y165-M204 HydrophobicContact CD1-CE 3.87Å; Y165-M204 HydrophobicContact CD1-SD 4.02Å; Y165-M204 HydrophobicContact CE1-CE 3.74Å; Y165-M204 HydrophobicContact CE1-SD 3.94Å; S199-M204 PolarHBondContact O-N 3.28Å
205K51.1Low56.5Low200 Ų20097.7 Ų97.787%0.8754%0.544SS*.PPolyproline II helixtrans-77.5126170.2-77.3-176.5178.1179.50110.2
206C39.8Very low53.5Low68 Ų68101.6 Ų101.646%0.45957%0.569SS.*PPolyproline II helixtrans-67.1127.3-179.1-1700000111.9N208C206-N208 PolarHBondContact SG-OD1 3.37Å; C206-N208 VanDerWaalsContact SG-OD1 3.4Å
207C36.8Very low50.6Low121 Ų121104.1 Ų104.182%0.81859%0.586SS**  trans-113.883.3170.8-60.30000108.5
208N33.7Very low47.7Very low132 Ų132105.5 Ų105.571%0.70661%0.606SS**  trans-78.9121.2172.8-85.3-9.6000110.2C206C206-N208 PolarHBondContact SG-OD1 3.37Å; C206-N208 VanDerWaalsContact SG-OD1 3.4Å
209V31Very low44.6Very low135 Ų135111.7 Ų111.782%0.81864%0.639SS**  trans-142.9137.1155.2-158.20000110.7
210V31.5Very low41.6Very low113 Ų113121 Ų12169%0.68567%0.674SS**  trans92.381.9162.4-154.80000117.1N212V210-N212 PolarHBondContact O-N 3.45Å
211A30.1Very low38.8Very low86 Ų86120.7 Ų120.771%0.71168%0.683SS**  trans-47123.5150.700000111.6
212N27.7Very low36.1Very low137 Ų137121.4 Ų121.473%0.73370%0.699SS**  trans-158.363.5159.1-88.7-28.8000109.5V210V210-N212 PolarHBondContact O-N 3.45Å
213H31.4Very low33.4Very low160 Ų160125.3 Ų125.374%0.74173%0.727SS**  trans-9788.5166.3-77.7-59000109.5N215H213-N215 PolarHBondContact O-N 3.04Å; H213-N215 VanDerWaalsContact O-N 3.1Å
214T27.8Very low31.2Very low125 Ų125127.6 Ų127.677%0.76772%0.723SS**  trans-63.3104.816244.80000108.8V216T214-V216 PolarHBondContact O-N 2.9Å
215N26.9Very low29.7Very low156 Ų156131.7 Ų131.783%0.83474%0.739SS**  trans-54.497.4167.2-101.7-27.5000110.4H213H213-N215 PolarHBondContact O-N 3.04Å; H213-N215 VanDerWaalsContact O-N 3.1Å
216V28.2Very low28.5Very low116 Ų116129.6 Ų129.670%0.70374%0.737SS**  trans-100.889.3161.4-178.60000107T214 S218T214-V216 PolarHBondContact O-N 2.9Å; V216-S218 PolarHBondContact O-N 3.39Å; V216-S218 PolarHBondContact O-OG 3.19Å
217V27.2Very low28Very low108 Ų108134 Ų13466%0.65576%0.756SS**  trans-60.1103173.3175.60000108.2N219V217-N219 PolarHBondContact O-N 2.96Å; V217-N219 VanDerWaalsContact O-N 3.14Å
218S27.1Very low27.5Very low96 Ų96134.9 Ų134.967%0.67176%0.758SS**  trans-79.688.6174.1-58.90000108.6V216 Y220V216-S218 PolarHBondContact O-N 3.39Å; V216-S218 PolarHBondContact O-OG 3.19Å; S218-Y220 VanDerWaalsContact C-N 3.33Å; S218-Y220 PolarHBondContact O-N 3.18Å
219N23.3Very low27.1Very low129 Ų129134.1 Ų134.169%0.6976%0.763SS**  trans-70.787.8167.5-84.5-12.7000109.7V217V217-N219 PolarHBondContact O-N 2.96Å; V217-N219 VanDerWaalsContact O-N 3.14Å
220Y24.1Very low27.1Very low208 Ų208135.2 Ų135.282%0.81676%0.764SS**  trans-122.779157.9-70.7-74.7000108.4S218 S222S218-Y220 VanDerWaalsContact C-N 3.33Å; S218-Y220 PolarHBondContact O-N 3.18Å; Y220-S222 VanDerWaalsContact C-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.2Å
221T26.4Very low26.8Very low132 Ų132138.4 Ų138.481%0.8177%0.772SS**  trans-7195.6166.731.30000109.2T223T221-T223 PolarHBondContact O-N 3.03Å
222S25.4Very low26.7Very low107 Ų107143.5 Ų143.575%0.74878%0.783SS**  trans-15.9108.8152.1-62.30000114.6Y220 N224Y220-S222 VanDerWaalsContact C-N 3.34Å; Y220-S222 PolarHBondContact O-N 3.2Å; S222-N224 PolarHBondContact O-N 3.14Å
223T22.4Very low26.8Very low150 Ų150144 Ų14492%0.9279%0.786SS**  trans-69.2110156.729.60000108.4T221T221-T223 PolarHBondContact O-N 3.03Å
224N25.2Very low26.6Very low117 Ų117145.5 Ų145.563%0.62679%0.793SS**  trans-123.2126.1-178.8-150.52.8000110.5S222S222-N224 PolarHBondContact O-N 3.14Å
225K27.4Very low26.8Very low170 Ų170151.1 Ų151.174%0.73980%0.8SS**  trans68.9104.4155.9-69.6155.3-174.9-174.10116.5
226N25.9Very low26.9Very low156 Ų156153.4 Ų153.483%0.83480%0.803SS**  38.999.368.3-71.3-4.9000113.7
227N27.6Very low26.7Very low160 Ų160156.8 Ų156.886%0.85681%0.813SS**  trans-162.388.8152.5-97.3-10.7000109
228T27.3Very low26.6Very low140 Ų140160.6 Ų160.686%0.85982%0.824SS**  trans-127.290.4159.136.60000107.7N230T228-N230 PolarHBondContact O-N 3.01Å
229S25.2Very low26.6Very low115 Ų115160.2 Ų160.280%0.80482%0.821SS**  trans-64.5110.416941.80000109.7
230N30.4Very low26.5Very low159 Ų159163.4 Ų163.485%0.8583%0.825SS**  trans-115.6125.2170.1-102.9-6.1000110T228T228-N230 PolarHBondContact O-N 3.01Å
231E26.3Very low26.8Very low180 Ų180159.5 Ų159.584%0.84183%0.828SS**  trans-65.8125.1-174.1-62.2166.8142.100112
232M28.3Very low26.8Very low192 Ų192159.8 Ų159.895%0.94683%0.825SS**  trans-95.9108.8164.2-87.7-163.5179.500109.5
233N30.1Very low27.3Very low147 Ų147162.8 Ų162.879%0.78683%0.833SS**  trans-79.1114.6171.7-94.4-43.9000110.8R235N233-R235 PolarHBondContact O-N 3.22Å
234E26.8Very low27.5Very low192 Ų192161.9 Ų161.990%0.89783%0.827SS**  trans-72.4115.5169.8-72.5-178.4150.600111
235R31.3Very low27.9Very low243 Ų243162.3 Ų162.392%0.91784%0.839SS**  trans-86.9113.5174.6-74.7-178.6175.8-177.9-1.1110.6N233 M237N233-R235 PolarHBondContact O-N 3.22Å; R235-M237 PolarHBondContact O-N 3Å
236K28.4Very low28.1Very low205 Ų205161 Ų16189%0.89185%0.845SS**  trans-66121.1168.1-72.9175.2176.5175.10110.6
237M23.7Very low29.1Very low187 Ų187158.6 Ų158.692%0.92184%0.838SS**  trans-97113.5165.7-100.5-79.5-178.700107.9R235R235-M237 PolarHBondContact O-N 3Å
238Q26.8Very low29.6Very low187 Ų187156.4 Ų156.487%0.87484%0.836SS**  trans-121.4129.4165.7-90-179.6-10.600109.7
239S25.3Very low30.5Very low89 Ų89154.6 Ų154.662%0.62283%0.828SS**  trans-93.9166.6-173.345.80000112.6
240Y22.1Very low31.6Very low195 Ų195153.7 Ų153.777%0.76582%0.822SS**  trans84.3115.6162.4-59.8-75.4000117.7
241S29.9Very low32.6Very low127 Ų127150.9 Ų150.989%0.88882%0.815SS**  -160.4115.1120.8-75.80000110
242N26.9Very low33.9Very low138 Ų138147.4 Ų147.474%0.73880%0.802SS**  trans-67.1141.2171.4-69.9-32.9000110.3
243N36Very low35.3Very low170 Ų170142 Ų14291%0.90978%0.78SS**  trans-135.2114.7153.1-89.9-21.7000109.5
244T27.4Very low36.6Very low131 Ų131141 Ų14180%0.80478%0.775SS**  trans-76.5130172.134.40000111.5
245S32Very low38.2Very low125 Ų125140.9 Ų140.987%0.87477%0.767SS**  trans-159.5136.5142.3-18.90000110
246T32.3Very low40Very low143 Ų143132.2 Ų132.288%0.87774%0.741SS**  trans-81.3164.6-164.831.30000115
247P46.3Very low42.1Very low105 Ų105127.9 Ų127.968%0.68272%0.724SS**  trans-110.2156.5-155.939-29.5000115.3
248S38.1Very low44.6Very low115 Ų115125.3 Ų125.380%0.80471%0.708SS**  trans-102.7123.5162.823.50000109.6
249S46Very low46.9Very low101 Ų101125.7 Ų125.771%0.70670%0.701SS**  trans-107.17.6-143.351.30000118.1
250S48.9Very low49.4Very low97 Ų97128.6 Ų128.668%0.67870%0.703SS**SBendtrans-106.9-31.7-173.954.90000116.4T253S250-T253 PolarHBondContact O-OG1 2.96Å
251S52.2Low52.1Low100 Ų100125 Ų12570%0.69969%0.693SS**SBendtrans-88.7-11.1-179.5-53.50000114.2
252L52Low54.6Low106 Ų106124.5 Ų124.556%0.55568%0.676SS**Hα-helixtrans-80.8-18.8-175.3-16267.5000113T256L252-T256 HydrophobicContact CG-CG2 4Å; L252-T256 WeakPolarHBondContact O-CB 3.39Å; L252-T256 VanDerWaalsContact O-CG2 3.22Å; L252-T256 WeakPolarHBondContact O-CG2 3.33Å; L252-T256 PolarHBondContact O-N 3.24Å; L252-T256 PolarHBondContact O-OG1 3.2Å
253T57.7Low57.1Low80 Ų80123.5 Ų123.549%0.49167%0.671SS.*Hα-helixtrans-66.7-42.6-176.844.90000112.6S250 T256 Q257S250-T253 PolarHBondContact O-OG1 2.96Å; T253-T256 WeakPolarHBondContact CA-OG1 3.2Å; T253-T256 PolarHBondContact O-OG1 3.29Å; T253-Q257 WeakPolarHBondContact O-CB 3.35Å; T253-Q257 PolarHBondContact O-N 3.44Å; T253-Q257 VanDerWaalsContact O-N 3.12Å
254N57.3Low59.3Low126 Ų126121.1 Ų121.167%0.67466%0.658SS**Hα-helixtrans-71.6-40.8179.5-84.3-10000113.5Q257 K258N254-Q257 PolarHBondContact O-N 3.12Å; N254-K258 PolarHBondContact O-N 3.3Å; N254-K258 VanDerWaalsContact O-N 3.13Å
255Y61.6Low62.2Low189 Ų189121 Ų12174%0.74165%0.652SS**Hα-helixtrans-66.5-37.8176.2-89.1-83000112.3Q257 R259Y255-Q257 VanDerWaalsContact C-N 3.3Å; Y255-Q257 PolarHBondContact O-N 2.88Å; Y255-R259 WeakPolarHBondContact O-CB 3.41Å; Y255-R259 PolarHBondContact O-N 2.81Å
256T68.4Low64.7Low61 Ų61117.6 Ų117.637%0.37463%0.631SS.*Hα-helixtrans-69-29.7176.251.20000112.2L252 T253 K260L252-T256 HydrophobicContact CG-CG2 4Å; L252-T256 WeakPolarHBondContact O-CB 3.39Å; L252-T256 VanDerWaalsContact O-CG2 3.22Å; L252-T256 WeakPolarHBondContact O-CG2 3.33Å; L252-T256 PolarHBondContact O-N 3.24Å; L252-T256 PolarHBondContact O-OG1 3.2Å; T253-T256 WeakPolarHBondContact CA-OG1 3.2Å; T253-T256 PolarHBondContact O-OG1 3.29Å; T256-K260 WeakPolarHBondContact O-CD 3.13Å; T256-K260 WeakPolarHBondContact O-CG 3.3Å; T256-K260 PolarHBondContact O-N 3.04Å
257Q72.8Confident67.3Low113 Ų113116 Ų11653%0.52862%0.617SS.*Hα-helixtrans-75.9-48.1178.4-167.7152.7-21.400113.1T253 N254 Y255 R259 K260 E261T253-Q257 WeakPolarHBondContact O-CB 3.35Å; T253-Q257 PolarHBondContact O-N 3.44Å; T253-Q257 VanDerWaalsContact O-N 3.12Å; N254-Q257 PolarHBondContact O-N 3.12Å; Y255-Q257 VanDerWaalsContact C-N 3.3Å; Y255-Q257 PolarHBondContact O-N 2.88Å; Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 PolarHBondContact O-N 3.38Å; Q257-K260 WeakPolarHBondContact O-CA 3.46Å; Q257-K260 WeakPolarHBondContact O-CB 3.39Å; Q257-K260 PolarHBondContact O-N 3.26Å; Q257-E261 PolarHBondContact O-N 3.38Å
258K75.6Confident69.3Low133 Ų133114.2 Ų114.258%0.57860%0.599SS**Hα-helixtrans-60.3-40.3177-173.2176.4178.7-178.70112.4N254 K260 E261 E262N254-K258 PolarHBondContact O-N 3.3Å; N254-K258 VanDerWaalsContact O-N 3.13Å; K258-K260 VanDerWaalsContact C-N 3.28Å; K258-K260 PolarHBondContact O-N 3.47Å; K258-E261 PolarHBondContact O-N 2.76Å; K258-E262 VanDerWaalsContact CE-OE1 3.32Å; K258-E262 WeakPolarHBondContact CE-OE1 3.49Å; K258-E262 PolarHBondContact O-N 3.41Å
259R75.4Confident71.7Confident195 Ų195114.7 Ų114.774%0.73659%0.592SS**Hα-helixtrans-64.3-32.1174.7-171.8176.3170.6-178.3-2.2112.3Y255 Q257 N263Y255-R259 WeakPolarHBondContact O-CB 3.41Å; Y255-R259 PolarHBondContact O-N 2.81Å; Q257-R259 VanDerWaalsContact C-N 3.3Å; Q257-R259 PolarHBondContact O-N 3.38Å; R259-N263 WeakPolarHBondContact O-CB 3.43Å; R259-N263 PolarHBondContact O-N 2.93Å; R259-N263 VanDerWaalsContact O-N 3.14Å
260K77.8Confident73.7Confident151 Ų151115.6 Ų115.666%0.65759%0.585SS**Hα-helixtrans-68.2-40.4173.2-77.2169.4-178.6-177.60111.6T256 Q257 K258 N263 L264T256-K260 WeakPolarHBondContact O-CD 3.13Å; T256-K260 WeakPolarHBondContact O-CG 3.3Å; T256-K260 PolarHBondContact O-N 3.04Å; Q257-K260 WeakPolarHBondContact O-CA 3.46Å; Q257-K260 WeakPolarHBondContact O-CB 3.39Å; Q257-K260 PolarHBondContact O-N 3.26Å; K258-K260 VanDerWaalsContact C-N 3.28Å; K258-K260 PolarHBondContact O-N 3.47Å; K260-N263 PolarHBondContact O-N 3.47Å; K260-L264 VanDerWaalsContact O-CB 3.31Å; K260-L264 WeakPolarHBondContact O-CB 3.34Å; K260-L264 PolarHBondContact O-N 3.25Å
261E80.2Confident75.6Confident120 Ų120117.1 Ų117.156%0.56158%0.576SS**Hα-helixtrans-66.6-45.6178.6-70.7171.9-175.400112.4Q257 K258 N263 L264 L265Q257-E261 PolarHBondContact O-N 3.38Å; K258-E261 PolarHBondContact O-N 2.76Å; E261-N263 VanDerWaalsContact C-N 3.32Å; E261-N263 PolarHBondContact O-N 3.23Å; E261-L264 WeakPolarHBondContact O-CB 3.5Å; E261-L264 PolarHBondContact O-N 3.42Å; E261-L265 PolarHBondContact O-N 2.89Å
262E81.4Confident77.3Confident115 Ų115117 Ų11754%0.53756%0.564SS.*Hα-helixtrans-62-40.9175.1-72.5172.1-177.500111.5K258 L264 L265 A266K258-E262 VanDerWaalsContact CE-OE1 3.32Å; K258-E262 WeakPolarHBondContact CE-OE1 3.49Å; K258-E262 PolarHBondContact O-N 3.41Å; E262-L264 VanDerWaalsContact C-N 3.32Å; E262-L265 PolarHBondContact O-N 3.44Å; E262-A266 WeakPolarHBondContact O-CB 3.24Å; E262-A266 PolarHBondContact O-N 3.45Å
263N79.1Confident79Confident117 Ų117115.9 Ų115.963%0.62657%0.565SS**Hα-helixtrans-68.2-33.3176.5-150.726.1000111.7R259 K260 E261 L267R259-N263 WeakPolarHBondContact O-CB 3.43Å; R259-N263 PolarHBondContact O-N 2.93Å; R259-N263 VanDerWaalsContact O-N 3.14Å; K260-N263 PolarHBondContact O-N 3.47Å; E261-N263 VanDerWaalsContact C-N 3.32Å; E261-N263 PolarHBondContact O-N 3.23Å; N263-L267 VanDerWaalsContact O-CB 3.29Å; N263-L267 WeakPolarHBondContact O-CB 3.31Å; N263-L267 PolarHBondContact O-N 2.75Å
264L83Confident80.5Confident120 Ų120115.2 Ų115.263%0.62856%0.558SS**Hα-helixtrans-68-43173.9-166.882000111.4K260 E261 E262 L267 E268K260-L264 VanDerWaalsContact O-CB 3.31Å; K260-L264 WeakPolarHBondContact O-CB 3.34Å; K260-L264 PolarHBondContact O-N 3.25Å; E261-L264 WeakPolarHBondContact O-CB 3.5Å; E261-L264 PolarHBondContact O-N 3.42Å; E262-L264 VanDerWaalsContact C-N 3.32Å; L264-L267 PolarHBondContact O-N 3.47Å; L264-E268 WeakPolarHBondContact O-CB 3.1Å; L264-E268 PolarHBondContact O-N 2.64Å
265L87.7Confident82Confident129 Ų129114.3 Ų114.368%0.67555%0.55SS**Hα-helixtrans-66-41.8177.4-170.874.8000111.6E261 E262 L267 E268 L269E261-L265 PolarHBondContact O-N 2.89Å; E262-L265 PolarHBondContact O-N 3.44Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L265-E268 PolarHBondContact O-N 2.66Å; L265-L269 PolarHBondContact O-N 3.48Å
266A85.6Confident83.3Confident53 Ų53108.8 Ų108.844%0.43854%0.539SS..Hα-helixtrans-62-42.6174.800000111.7E262 E268 L269 E270E262-A266 WeakPolarHBondContact O-CB 3.24Å; E262-A266 PolarHBondContact O-N 3.45Å; A266-E268 VanDerWaalsContact C-N 3.33Å; A266-E268 PolarHBondContact O-N 2.73Å; A266-L269 PolarHBondContact O-N 2.62Å; A266-E270 WeakPolarHBondContact O-CB 3.14Å; A266-E270 PolarHBondContact O-N 3.41Å
267L86.9Confident84.3Confident111 Ų111112.6 Ų112.658%0.58155%0.547SS*.Hα-helixtrans-63.1-39.1175.7-16480.7000111.9N263 L264 L265 E270 R271N263-L267 VanDerWaalsContact O-CB 3.29Å; N263-L267 WeakPolarHBondContact O-CB 3.31Å; N263-L267 PolarHBondContact O-N 2.75Å; L264-L267 PolarHBondContact O-N 3.47Å; L265-L267 VanDerWaalsContact C-N 3.34Å; L267-E270 PolarHBondContact O-N 2.97Å; L267-R271 WeakPolarHBondContact O-CB 3.41Å; L267-R271 PolarHBondContact O-N 3.17Å
268E86.9Confident84.9Confident66 Ų66115.3 Ų115.331%0.30855%0.552SS.*Hα-helixtrans-68.9-40.3177.1-177.656.9-153.300112.1L264 L265 A266 E270 R271 Q272L264-E268 WeakPolarHBondContact O-CB 3.1Å; L264-E268 PolarHBondContact O-N 2.64Å; L265-E268 PolarHBondContact O-N 2.66Å; A266-E268 VanDerWaalsContact C-N 3.33Å; A266-E268 PolarHBondContact O-N 2.73Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 3.04Å; E268-R271 IonicContact OE1-CZ 2.93Å; E268-R271 IonicContact OE1-NE 2.81Å; E268-R271 PolarHBondContact OE1-NE 2.88Å; E268-R271 IonicContact OE1-NH2 3.48Å; E268-R271 PolarHBondContact OE1-NH2 3.02Å; E268-R271 IonicContact OE2-CZ 2.72Å; E268-R271 IonicContact OE2-NE 3.59Å; E268-R271 PolarHBondContact OE2-NE 3.24Å; E268-R271 IonicContact OE2-NH2 3.33Å; E268-Q272 WeakPolarHBondContact O-CG 3.12Å; E268-Q272 PolarHBondContact O-N 2.95Å; E268-Q272 PolarHBondContact OE1-NE2 3.32Å; E268-Q272 VanDerWaalsContact OE1-NE2 3.12Å
269L90.1Very high85.5Confident126 Ų126112.9 Ų112.966%0.6655%0.548SS*.Hα-helixtrans-63.8-41174.6-162.794000111.4L265 A266 Q272 S273L265-L269 PolarHBondContact O-N 3.48Å; A266-L269 PolarHBondContact O-N 2.62Å; L269-Q272 PolarHBondContact O-N 3.33Å; L269-S273 WeakPolarHBondContact O-CB 3.45Å; L269-S273 PolarHBondContact O-N 3.47Å
270E88.1Confident86.2Confident119 Ų119110.3 Ų110.356%0.55655%0.545SS*.Hα-helixtrans-63.1-42.4174.4-173.2175.4-170.900111.3A266 L267 E268 Q272 S273 L274A266-E270 WeakPolarHBondContact O-CB 3.14Å; A266-E270 PolarHBondContact O-N 3.41Å; L267-E270 PolarHBondContact O-N 2.97Å; E268-E270 VanDerWaalsContact C-N 3.34Å; E270-Q272 PolarHBondContact O-N 2.92Å; E270-S273 PolarHBondContact O-N 2.82Å; E270-L274 HydrophobicContact CG-CD1 4.23Å; E270-L274 WeakPolarHBondContact O-CB 3.37Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 3.03Å
271R87.3Confident86.5Confident130 Ų130108.1 Ų108.149%0.49154%0.537SS..Hα-helixtrans-57.8-48.2174.8-170.4-178.578.589.12.8111.6L267 E268 L274 E275L267-R271 WeakPolarHBondContact O-CB 3.41Å; L267-R271 PolarHBondContact O-N 3.17Å; E268-R271 WeakPolarHBondContact O-CB 3.48Å; E268-R271 PolarHBondContact O-N 3.04Å; E268-R271 IonicContact OE1-CZ 2.93Å; E268-R271 IonicContact OE1-NE 2.81Å; E268-R271 PolarHBondContact OE1-NE 2.88Å; E268-R271 IonicContact OE1-NH2 3.48Å; E268-R271 PolarHBondContact OE1-NH2 3.02Å; E268-R271 IonicContact OE2-CZ 2.72Å; E268-R271 IonicContact OE2-NE 3.59Å; E268-R271 PolarHBondContact OE2-NE 3.24Å; E268-R271 IonicContact OE2-NH2 3.33Å; R271-L274 PolarHBondContact O-N 3.07Å; R271-E275 IonicContact NH1-OE2 2.69Å; R271-E275 WeakPolarHBondContact O-CB 3.11Å; R271-E275 PolarHBondContact O-N 3.47Å
272Q89.2Confident87Confident96 Ų96107.3 Ų107.345%0.44953%0.533SS..Hα-helixtrans-66.6-37.8179.5-70.8177.89.200112.9E268 L269 E270 E275 S276E268-Q272 WeakPolarHBondContact O-CG 3.12Å; E268-Q272 PolarHBondContact O-N 2.95Å; E268-Q272 PolarHBondContact OE1-NE2 3.32Å; E268-Q272 VanDerWaalsContact OE1-NE2 3.12Å; L269-Q272 PolarHBondContact O-N 3.33Å; E270-Q272 PolarHBondContact O-N 2.92Å; Q272-E275 PolarHBondContact O-N 3.32Å; Q272-S276 WeakPolarHBondContact O-CB 3.44Å; Q272-S276 PolarHBondContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.44Å
273S86.4Confident87.2Confident83 Ų83108.4 Ų108.458%0.5854%0.536SS*.Hα-helixtrans-64-44.4174.6179.90000111.7L269 E270 S276 R277L269-S273 WeakPolarHBondContact O-CB 3.45Å; L269-S273 PolarHBondContact O-N 3.47Å; E270-S273 PolarHBondContact O-N 2.82Å; S273-S276 PolarHBondContact O-N 3.2Å; S273-R277 PolarHBondContact O-N 3.47Å
274L90.7Very high87.5Confident66 Ų66105.8 Ų105.835%0.34653%0.527SS..Hα-helixtrans-63.1-45.1175.1-74.8171.2000111.6E270 R271 R277 W278E270-L274 HydrophobicContact CG-CD1 4.23Å; E270-L274 WeakPolarHBondContact O-CB 3.37Å; E270-L274 WeakPolarHBondContact O-CG 3.49Å; E270-L274 PolarHBondContact O-N 3.03Å; R271-L274 PolarHBondContact O-N 3.07Å; L274-R277 PolarHBondContact O-N 3.08Å; L274-W278 PolarHBondContact O-N 3.35Å
275E89.1Confident87.8Confident107 Ų107102.8 Ų102.850%0.552%0.519SS..Hα-helixtrans-60.9-44.9178.2-169.3166.3-169.300111.5R271 Q272 R277 W278 T279R271-E275 IonicContact NH1-OE2 2.69Å; R271-E275 WeakPolarHBondContact O-CB 3.11Å; R271-E275 PolarHBondContact O-N 3.47Å; Q272-E275 PolarHBondContact O-N 3.32Å; E275-R277 PolarHBondContact O-N 3.28Å; E275-W278 WeakPolarHBondContact O-CB 3.42Å; E275-W278 PolarHBondContact O-N 3.46Å; E275-T279 WeakPolarHBondContact O-CG2 3.18Å; E275-T279 PolarHBondContact O-N 3.13Å
276S88.2Confident87.8Confident73 Ų73101.6 Ų101.651%0.5151%0.509SS..Hα-helixtrans-59.3-46.9175.2-590000111.7Q272 S273 W278 T279 E280Q272-S276 WeakPolarHBondContact O-CB 3.44Å; Q272-S276 PolarHBondContact O-N 3.16Å; Q272-S276 PolarHBondContact O-OG 3.44Å; S273-S276 PolarHBondContact O-N 3.2Å; S276-W278 VanDerWaalsContact C-N 3.31Å; S276-W278 PolarHBondContact O-N 3.25Å; S276-T279 PolarHBondContact O-N 3.34Å; S276-T279 PolarHBondContact O-OG1 2.96Å; S276-E280 PolarHBondContact O-N 3.02Å; S276-E280 VanDerWaalsContact O-N 3.07Å
277R90.1Very high88Confident142 Ų142102.3 Ų102.354%0.53651%0.505SS..Hα-helixtrans-62.6-37.2177.1-170.3174.267.5158.5-0.4112.5S273 L274 E275 Q281S273-R277 PolarHBondContact O-N 3.47Å; L274-R277 PolarHBondContact O-N 3.08Å; E275-R277 PolarHBondContact O-N 3.28Å; R277-Q281 WeakPolarHBondContact O-CG 3.48Å; R277-Q281 PolarHBondContact O-N 3.05Å; R277-Q281 VanDerWaalsContact O-N 3.09Å
278W83.8Confident88Confident170 Ų170101 Ų10164%0.64450%0.499SS*.Hα-helixtrans-64.5-45.2174.6-88.2110.5000111.9L274 E275 S276 E280 Q281 E282L274-W278 PolarHBondContact O-N 3.35Å; E275-W278 WeakPolarHBondContact O-CB 3.42Å; E275-W278 PolarHBondContact O-N 3.46Å; S276-W278 VanDerWaalsContact C-N 3.31Å; S276-W278 PolarHBondContact O-N 3.25Å; W278-E280 VanDerWaalsContact C-N 3.35Å; W278-E280 PolarHBondContact O-N 2.95Å; W278-Q281 PolarHBondContact O-N 3.34Å; W278-E282 PolarHBondContact O-N 3.49Å
279T88.9Confident88.1Confident81 Ų81103.3 Ų103.350%0.49751%0.509SS..Hα-helixtrans-64.1-37.5178.560.90000112.9E275 S276 E282 F283E275-T279 WeakPolarHBondContact O-CG2 3.18Å; E275-T279 PolarHBondContact O-N 3.13Å; S276-T279 PolarHBondContact O-N 3.34Å; S276-T279 PolarHBondContact O-OG1 2.96Å; T279-E282 PolarHBondContact O-N 3.21Å; T279-F283 WeakPolarHBondContact O-CB 3.49Å; T279-F283 PolarHBondContact O-N 2.81Å
280E88.9Confident88Confident141 Ų141101.9 Ų101.966%0.65950%0.502SS*.Hα-helixtrans-68-40.9176.3-171.7175.3-168.100111.9S276 W278 F283 S284S276-E280 PolarHBondContact O-N 3.02Å; S276-E280 VanDerWaalsContact O-N 3.07Å; W278-E280 VanDerWaalsContact C-N 3.35Å; W278-E280 PolarHBondContact O-N 2.95Å; E280-F283 PolarHBondContact O-N 2.84Å; E280-S284 WeakPolarHBondContact O-CB 3.26Å; E280-S284 PolarHBondContact O-N 3.43Å
281Q85.2Confident88.1Confident105 Ų105101.9 Ų101.949%0.49150%0.501SS..Hα-helixtrans-62.4-42.4172.8-76.9-177-2.100111.8R277 W278 S284 A285R277-Q281 WeakPolarHBondContact O-CG 3.48Å; R277-Q281 PolarHBondContact O-N 3.05Å; R277-Q281 VanDerWaalsContact O-N 3.09Å; W278-Q281 PolarHBondContact O-N 3.34Å; Q281-S284 PolarHBondContact O-N 3.44Å; Q281-A285 VanDerWaalsContact O-CB 3.31Å; Q281-A285 WeakPolarHBondContact O-CB 3.2Å; Q281-A285 PolarHBondContact O-N 3.27Å
282E89.7Confident88.2Confident103 Ų103101.9 Ų101.948%0.48151%0.506SS..Hα-helixtrans-64.7-41.4177.2-164-171158.600111.7W278 T279 A285 K286W278-E282 PolarHBondContact O-N 3.49Å; T279-E282 PolarHBondContact O-N 3.21Å; E282-A285 PolarHBondContact O-N 3.18Å; E282-K286 WeakPolarHBondContact O-CG 3.26Å; E282-K286 PolarHBondContact O-N 3.46Å; E282-K286 VanDerWaalsContact OE1-CE 3.24Å; E282-K286 WeakPolarHBondContact OE1-CE 3.47Å; E282-K286 IonicContact OE1-NZ 3.2Å; E282-K286 PolarHBondContact OE1-NZ 3.21Å
283F86Confident88.2Confident139 Ų139100.8 Ų100.861%0.6150%0.503SS*.Hα-helixtrans-63.7-46.9175.6-176.5-100.1000111.8T279 E280 A285 K286 L287T279-F283 WeakPolarHBondContact O-CB 3.49Å; T279-F283 PolarHBondContact O-N 2.81Å; E280-F283 PolarHBondContact O-N 2.84Å; F283-A285 VanDerWaalsContact C-N 3.32Å; F283-A285 PolarHBondContact O-N 3.4Å; F283-K286 PolarHBondContact O-N 2.91Å; F283-L287 HydrophobicContact CD1-CD1 4.3Å; F283-L287 HydrophobicContact CE1-CD1 3.53Å; F283-L287 HydrophobicContact CZ-CD1 3.83Å; F283-L287 WeakPolarHBondContact O-CB 3.48Å; F283-L287 PolarHBondContact O-N 3Å
284S86.6Confident88.3Confident62 Ų62102.4 Ų102.443%0.43450%0.504SS..Hα-helixtrans-60.2-41.3175.8-175.70000111.9E280 Q281 L287 N288E280-S284 WeakPolarHBondContact O-CB 3.26Å; E280-S284 PolarHBondContact O-N 3.43Å; Q281-S284 PolarHBondContact O-N 3.44Å; S284-L287 PolarHBondContact O-N 3.37Å; S284-N288 WeakPolarHBondContact O-CB 3.21Å; S284-N288 PolarHBondContact O-N 2.95Å; S284-N288 PolarHBondContact O-ND2 2.96Å
285A88.2Confident88.4Confident56 Ų56103.1 Ų103.146%0.46351%0.511SS..Hα-helixtrans-62.4-46.5175.100000112.1Q281 E282 F283 L287 N288 Q289Q281-A285 VanDerWaalsContact O-CB 3.31Å; Q281-A285 WeakPolarHBondContact O-CB 3.2Å; Q281-A285 PolarHBondContact O-N 3.27Å; E282-A285 PolarHBondContact O-N 3.18Å; F283-A285 VanDerWaalsContact C-N 3.32Å; F283-A285 PolarHBondContact O-N 3.4Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.33Å; A285-N288 PolarHBondContact O-N 2.83Å; A285-Q289 WeakPolarHBondContact O-CB 3.31Å; A285-Q289 PolarHBondContact O-N 3.36Å
286K88.9Confident88.5Confident105 Ų105103.9 Ų103.946%0.45751%0.514SS..Hα-helixtrans-61.7-39.8175.1-75.2175.6-174.7164.30112.1E282 F283 Q289 N290E282-K286 WeakPolarHBondContact O-CG 3.26Å; E282-K286 PolarHBondContact O-N 3.46Å; E282-K286 VanDerWaalsContact OE1-CE 3.24Å; E282-K286 WeakPolarHBondContact OE1-CE 3.47Å; E282-K286 IonicContact OE1-NZ 3.2Å; E282-K286 PolarHBondContact OE1-NZ 3.21Å; F283-K286 PolarHBondContact O-N 2.91Å; K286-Q289 PolarHBondContact O-N 3.38Å; K286-N290 WeakPolarHBondContact O-CB 3.48Å; K286-N290 PolarHBondContact O-N 3.21Å
287L89Confident88.6Confident68 Ų68105 Ų10536%0.35651%0.514SS..Hα-helixtrans-68.1-39.9179.7-150.1152.7000111.2F283 S284 A285 N290 K291F283-L287 HydrophobicContact CD1-CD1 4.3Å; F283-L287 HydrophobicContact CE1-CD1 3.53Å; F283-L287 HydrophobicContact CZ-CD1 3.83Å; F283-L287 WeakPolarHBondContact O-CB 3.48Å; F283-L287 PolarHBondContact O-N 3Å; S284-L287 PolarHBondContact O-N 3.37Å; A285-L287 VanDerWaalsContact C-N 3.33Å; A285-L287 PolarHBondContact O-N 3.33Å; L287-N290 PolarHBondContact O-N 3.47Å; L287-K291 HydrophobicContact CD2-CD 4.13Å; L287-K291 HydrophobicContact CD2-CG 4.43Å; L287-K291 WeakPolarHBondContact O-CG 3.39Å; L287-K291 PolarHBondContact O-N 3.01Å
288N87.6Confident88.6Confident83 Ų83100.8 Ų100.844%0.44451%0.51SS..Hα-helixtrans-66.5-39.8172.6-72.9-27.4000112.3S284 A285 K291 Q292S284-N288 WeakPolarHBondContact O-CB 3.21Å; S284-N288 PolarHBondContact O-N 2.95Å; S284-N288 PolarHBondContact O-ND2 2.96Å; A285-N288 PolarHBondContact O-N 2.83Å; N288-K291 PolarHBondContact O-N 3.25Å; N288-Q292 PolarHBondContact O-N 3.18Å
289Q88.6Confident89.1Confident114 Ų11498.8 Ų98.853%0.53351%0.508SS..Hα-helixtrans-62.2-45.7174.1-172.7179.86.900111.4A285 K286 K291 Q292 I293A285-Q289 WeakPolarHBondContact O-CB 3.31Å; A285-Q289 PolarHBondContact O-N 3.36Å; K286-Q289 PolarHBondContact O-N 3.38Å; Q289-K291 VanDerWaalsContact C-N 3.35Å; Q289-K291 PolarHBondContact O-N 2.74Å; Q289-Q292 PolarHBondContact O-N 3.03Å; Q289-I293 HydrophobicContact CG-CD1 4.26Å; Q289-I293 WeakPolarHBondContact O-CG1 3.47Å; Q289-I293 PolarHBondContact O-N 2.99Å
290N87.8Confident89.2Confident96 Ų9698.8 Ų98.851%0.51350%0.502SS..Hα-helixtrans-62.7-39.7176.6-75.8-10.9000112.3K286 L287 I293 L294K286-N290 WeakPolarHBondContact O-CB 3.48Å; K286-N290 PolarHBondContact O-N 3.21Å; L287-N290 PolarHBondContact O-N 3.47Å; N290-I293 PolarHBondContact O-N 3.39Å; N290-L294 WeakPolarHBondContact O-CG 3.33Å; N290-L294 PolarHBondContact O-N 2.88Å
291K89.6Confident89.3Confident120 Ų12098.5 Ų98.552%0.52250%0.501SS..Hα-helixtrans-60.9-43173.4-77.9176.6176.1175.60112L287 N288 Q289 L294 V295L287-K291 HydrophobicContact CD2-CD 4.13Å; L287-K291 HydrophobicContact CD2-CG 4.43Å; L287-K291 WeakPolarHBondContact O-CG 3.39Å; L287-K291 PolarHBondContact O-N 3.01Å; N288-K291 PolarHBondContact O-N 3.25Å; Q289-K291 VanDerWaalsContact C-N 3.35Å; Q289-K291 PolarHBondContact O-N 2.74Å; K291-L294 PolarHBondContact O-N 3.26Å; K291-V295 WeakPolarHBondContact O-CG2 3.42Å; K291-V295 PolarHBondContact O-N 3.43Å
292Q89.4Confident89.7Confident129 Ų12996.5 Ų96.560%0.60350%0.502SS*.Hα-helixtrans-62.6-43.2176.1-75.8179.7-5.900112.1N288 Q289 L294 V295 Q296N288-Q292 PolarHBondContact O-N 3.18Å; Q289-Q292 PolarHBondContact O-N 3.03Å; Q292-L294 VanDerWaalsContact C-N 3.34Å; Q292-L294 PolarHBondContact O-N 3.31Å; Q292-V295 PolarHBondContact O-N 2.89Å; Q292-Q296 WeakPolarHBondContact O-CG 3.31Å; Q292-Q296 PolarHBondContact O-N 2.98Å
293I90.5Very high89.9Confident74 Ų7497.9 Ų97.938%0.37950%0.503SS..Hα-helixtrans-61.5-43.2176.5-66.3166.9000110.8Q289 N290 Q296 L297Q289-I293 HydrophobicContact CG-CD1 4.26Å; Q289-I293 WeakPolarHBondContact O-CG1 3.47Å; Q289-I293 PolarHBondContact O-N 2.99Å; N290-I293 PolarHBondContact O-N 3.39Å; I293-Q296 PolarHBondContact O-N 3.47Å; I293-L297 HydrophobicContact CG2-CD1 4Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CG 3.33Å; I293-L297 PolarHBondContact O-N 2.85Å
294L88.3Confident90.2Very high116 Ų11694.1 Ų94.161%0.60749%0.491SS*.Hα-helixtrans-63.6-40.4177.9-74.7166.7000112.7N290 K291 Q292 L297 A298N290-L294 WeakPolarHBondContact O-CG 3.33Å; N290-L294 PolarHBondContact O-N 2.88Å; K291-L294 PolarHBondContact O-N 3.26Å; Q292-L294 VanDerWaalsContact C-N 3.34Å; Q292-L294 PolarHBondContact O-N 3.31Å; L294-L297 PolarHBondContact O-N 3.26Å; L294-A298 WeakPolarHBondContact O-CB 3.18Å; L294-A298 PolarHBondContact O-N 2.92Å
295V92.2Very high90.5Very high81 Ų8195.1 Ų95.149%0.49150%0.497SS..Hα-helixtrans-64.3-45.1175.4171.90000110.7K291 Q292 L297 A298 E299K291-V295 WeakPolarHBondContact O-CG2 3.42Å; K291-V295 PolarHBondContact O-N 3.43Å; Q292-V295 PolarHBondContact O-N 2.89Å; V295-L297 VanDerWaalsContact C-N 3.34Å; V295-L297 PolarHBondContact O-N 3.14Å; V295-A298 PolarHBondContact O-N 2.94Å; V295-E299 HydrophobicContact CG1-CG 4.42Å; V295-E299 WeakPolarHBondContact O-CG 3.42Å; V295-E299 PolarHBondContact O-N 3.49Å
296Q90.9Very high90.7Very high123 Ų12395.4 Ų95.458%0.57550%0.499SS*.Hα-helixtrans-61.3-40.7176.6-73176.4-8.600112.3Q292 I293 E299 E300Q292-Q296 WeakPolarHBondContact O-CG 3.31Å; Q292-Q296 PolarHBondContact O-N 2.98Å; I293-Q296 PolarHBondContact O-N 3.47Å; Q296-E299 PolarHBondContact O-N 3.23Å; Q296-E300 VanDerWaalsContact O-CB 3.32Å; Q296-E300 WeakPolarHBondContact O-CB 3.34Å; Q296-E300 PolarHBondContact O-N 3.46Å
297L89.6Confident90.9Very high96 Ų9695.6 Ų95.650%0.50350%0.502SS..Hα-helixtrans-64.5-41.8175.4-73.4171.3000111.8I293 L294 V295 E300 E301I293-L297 HydrophobicContact CG2-CD1 4Å; I293-L297 HydrophobicContact CG2-CG 4.41Å; I293-L297 WeakPolarHBondContact O-CG 3.33Å; I293-L297 PolarHBondContact O-N 2.85Å; L294-L297 PolarHBondContact O-N 3.26Å; V295-L297 VanDerWaalsContact C-N 3.34Å; V295-L297 PolarHBondContact O-N 3.14Å; L297-E300 PolarHBondContact O-N 2.66Å; L297-E301 WeakPolarHBondContact O-CB 2.97Å; L297-E301 WeakPolarHBondContact O-CG 3.46Å; L297-E301 PolarHBondContact O-N 3.46Å
298A91.7Very high90.9Very high55 Ų5597 Ų9746%0.45551%0.509SS..Hα-helixtrans-66.2-39.4176.800000112.5L294 V295 A302L294-A298 WeakPolarHBondContact O-CB 3.18Å; L294-A298 PolarHBondContact O-N 2.92Å; V295-A298 PolarHBondContact O-N 2.94Å; A298-A302 WeakPolarHBondContact O-CB 3.13Å; A298-A302 PolarHBondContact O-N 3.14Å
299E93.3Very high91.1Very high128 Ų12895.6 Ų95.660%0.59851%0.506SS*.Hα-helixtrans-64.8-41.5174-73.9175.7177.100111.8V295 Q296 A302 R303V295-E299 HydrophobicContact CG1-CG 4.42Å; V295-E299 WeakPolarHBondContact O-CG 3.42Å; V295-E299 PolarHBondContact O-N 3.49Å; Q296-E299 PolarHBondContact O-N 3.23Å; E299-A302 PolarHBondContact O-N 3.15Å; E299-R303 WeakPolarHBondContact O-CB 2.88Å; E299-R303 PolarHBondContact O-N 3.01Å
300E91.7Very high91.3Very high80 Ų8093 Ų9337%0.37451%0.505SS..Hα-helixtrans-65.3-44.4176.1-173.363.2-150.700111.5Q296 L297 R303 V304Q296-E300 VanDerWaalsContact O-CB 3.32Å; Q296-E300 WeakPolarHBondContact O-CB 3.34Å; Q296-E300 PolarHBondContact O-N 3.46Å; L297-E300 PolarHBondContact O-N 2.66Å; E300-R303 PolarHBondContact O-N 3.19Å; E300-R303 IonicContact OE1-CZ 2.65Å; E300-R303 IonicContact OE1-NE 3.36Å; E300-R303 IonicContact OE1-NH2 2.8Å; E300-R303 PolarHBondContact OE1-NH2 3.06Å; E300-R303 IonicContact OE2-CZ 3.86Å; E300-R303 IonicContact OE2-NE 2.69Å; E300-R303 IonicContact OE2-NH1 3.02Å; E300-R303 PolarHBondContact OE2-NH1 3.16Å; E300-R303 IonicContact OE2-NH2 2.82Å; E300-R303 PolarHBondContact OE2-NH2 3.27Å; E300-V304 WeakPolarHBondContact O-CG2 3.32Å; E300-V304 PolarHBondContact O-N 2.97Å
301E91.4Very high91.5Very high136 Ų13692.8 Ų92.864%0.63650%0.502SS*.Hα-helixtrans-60.3-45.4174.3-78.1-178.8174.400111.7L297 R303 V304 C305L297-E301 WeakPolarHBondContact O-CB 2.97Å; L297-E301 WeakPolarHBondContact O-CG 3.46Å; L297-E301 PolarHBondContact O-N 3.46Å; E301-R303 VanDerWaalsContact C-N 3.34Å; E301-R303 PolarHBondContact O-N 2.95Å; E301-V304 PolarHBondContact O-N 2.84Å; E301-C305 WeakPolarHBondContact O-CB 3.33Å; E301-C305 PolarHBondContact O-N 3.42Å; E301-C305 PolarHBondContact O-SG 3.15Å
302A93.5Very high91.3Very high62 Ų6293.4 Ų93.451%0.51251%0.507SS..Hα-helixtrans-61.5-41.617600000112A298 E299 C305 A306A298-A302 WeakPolarHBondContact O-CB 3.13Å; A298-A302 PolarHBondContact O-N 3.14Å; E299-A302 PolarHBondContact O-N 3.15Å; A302-C305 PolarHBondContact O-N 3.07Å; A302-A306 WeakPolarHBondContact O-CB 3.42Å; A302-A306 PolarHBondContact O-N 3.07Å
303R93.6Very high91.4Very high133 Ų13391.1 Ų91.150%0.50250%0.499SS..Hα-helixtrans-63.4-48.1176.2-172.2179.974.2-161.63.6111.7E299 E300 E301 C305 A306 E307E299-R303 WeakPolarHBondContact O-CB 2.88Å; E299-R303 PolarHBondContact O-N 3.01Å; E300-R303 PolarHBondContact O-N 3.19Å; E300-R303 IonicContact OE1-CZ 2.65Å; E300-R303 IonicContact OE1-NE 3.36Å; E300-R303 IonicContact OE1-NH2 2.8Å; E300-R303 PolarHBondContact OE1-NH2 3.06Å; E300-R303 IonicContact OE2-CZ 3.86Å; E300-R303 IonicContact OE2-NE 2.69Å; E300-R303 IonicContact OE2-NH1 3.02Å; E300-R303 PolarHBondContact OE2-NH1 3.16Å; E300-R303 IonicContact OE2-NH2 2.82Å; E300-R303 PolarHBondContact OE2-NH2 3.27Å; E301-R303 VanDerWaalsContact C-N 3.34Å; E301-R303 PolarHBondContact O-N 2.95Å; R303-C305 VanDerWaalsContact C-N 3.3Å; R303-C305 PolarHBondContact O-N 3.48Å; R303-A306 PolarHBondContact O-N 3.06Å; R303-E307 PolarHBondContact O-N 2.79Å
304V92.6Very high91.4Very high60 Ų6093.8 Ų93.836%0.36451%0.508SS..Hα-helixtrans-61.9-40.2178.1171.80000110.7E300 E301 E307 L308E300-V304 WeakPolarHBondContact O-CG2 3.32Å; E300-V304 PolarHBondContact O-N 2.97Å; E301-V304 PolarHBondContact O-N 2.84Å; V304-E307 PolarHBondContact O-N 3.13Å; V304-L308 HydrophobicContact CG1-CD1 4.02Å; V304-L308 HydrophobicContact CG1-CG 4.38Å; V304-L308 WeakPolarHBondContact O-CB 3.49Å; V304-L308 VanDerWaalsContact O-CG 3.28Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.32Å
305C91.8Very high91.2Very high82 Ų8296.7 Ų96.755%0.55451%0.51SS*.Hα-helixtrans-62.9-42.1175.3-70.10000112.1E301 A302 R303 L308 S309E301-C305 WeakPolarHBondContact O-CB 3.33Å; E301-C305 PolarHBondContact O-N 3.42Å; E301-C305 PolarHBondContact O-SG 3.15Å; A302-C305 PolarHBondContact O-N 3.07Å; R303-C305 VanDerWaalsContact C-N 3.3Å; R303-C305 PolarHBondContact O-N 3.48Å; C305-L308 PolarHBondContact O-N 3.32Å; C305-S309 WeakPolarHBondContact O-CB 3.22Å; C305-S309 PolarHBondContact O-N 2.87Å
306A92.3Very high91Very high62 Ų6299.5 Ų99.551%0.51252%0.516SS..Hα-helixtrans-64.5-42.8176.400000112.3A302 R303 S309 A310A302-A306 WeakPolarHBondContact O-CB 3.42Å; A302-A306 PolarHBondContact O-N 3.07Å; R303-A306 PolarHBondContact O-N 3.06Å; A306-S309 PolarHBondContact O-N 2.97Å; A306-A310 WeakPolarHBondContact O-CB 3.24Å; A306-A310 PolarHBondContact O-N 3.24Å
307E93.5Very high91Very high110 Ų110100.2 Ų100.251%0.51452%0.52SS..Hα-helixtrans-63.5-43.1175.5-74-178.5-169.600112.1R303 V304 A310 I311R303-E307 PolarHBondContact O-N 2.79Å; V304-E307 PolarHBondContact O-N 3.13Å; E307-A310 PolarHBondContact O-N 3.03Å; E307-I311 VanDerWaalsContact O-CG1 3.3Å; E307-I311 WeakPolarHBondContact O-CG1 3.4Å; E307-I311 PolarHBondContact O-N 3.19Å
308L89.5Confident90.8Very high97 Ų9799.6 Ų99.651%0.50851%0.514SS..Hα-helixtrans-63-42.2175.9-72.6174.3000111.7V304 C305 I311 Q312V304-L308 HydrophobicContact CG1-CD1 4.02Å; V304-L308 HydrophobicContact CG1-CG 4.38Å; V304-L308 WeakPolarHBondContact O-CB 3.49Å; V304-L308 VanDerWaalsContact O-CG 3.28Å; V304-L308 WeakPolarHBondContact O-CG 3.43Å; V304-L308 PolarHBondContact O-N 3.32Å; C305-L308 PolarHBondContact O-N 3.32Å; L308-I311 PolarHBondContact O-N 2.86Å; L308-Q312 WeakPolarHBondContact O-CG 3.41Å; L308-Q312 PolarHBondContact O-N 3.08Å
309S92.3Very high90.4Very high54 Ų54104.3 Ų104.338%0.37852%0.52SS..Hα-helixtrans-61.3-46.9175.3-167.80000111.3C305 A306 I311 Q312 D313C305-S309 WeakPolarHBondContact O-CB 3.22Å; C305-S309 PolarHBondContact O-N 2.87Å; A306-S309 PolarHBondContact O-N 2.97Å; S309-I311 VanDerWaalsContact C-N 3.31Å; S309-I311 PolarHBondContact O-N 3.39Å; S309-Q312 WeakPolarHBondContact O-CB 3.38Å; S309-Q312 PolarHBondContact O-N 3.42Å; S309-Q312 VanDerWaalsContact O-N 3.1Å; S309-D313 PolarHBondContact O-N 2.95Å
310A92.6Very high90.1Very high60 Ų60101.7 Ų101.750%0.49652%0.515SS..Hα-helixtrans-61.2-38.9178.900000112.5A306 E307 K314A306-A310 WeakPolarHBondContact O-CB 3.24Å; A306-A310 PolarHBondContact O-N 3.24Å; E307-A310 PolarHBondContact O-N 3.03Å; A310-K314 WeakPolarHBondContact O-CB 3.32Å; A310-K314 PolarHBondContact O-N 3.14Å
311I90.4Very high89.9Confident90 Ų90100.4 Ų100.446%0.46252%0.518SS..Hα-helixtrans-66.2-41.6174.4-67.6167.4000110.9E307 L308 S309 R315E307-I311 VanDerWaalsContact O-CG1 3.3Å; E307-I311 WeakPolarHBondContact O-CG1 3.4Å; E307-I311 PolarHBondContact O-N 3.19Å; L308-I311 PolarHBondContact O-N 2.86Å; S309-I311 VanDerWaalsContact C-N 3.31Å; S309-I311 PolarHBondContact O-N 3.39Å; I311-R315 WeakPolarHBondContact O-CB 3.27Å; I311-R315 WeakPolarHBondContact O-CG 3.46Å; I311-R315 PolarHBondContact O-N 3.43Å
312Q87.1Confident89.6Confident133 Ų13394.3 Ų94.362%0.62149%0.49SS*.Hα-helixtrans-64.2-43.3176.5-75.1-179.1-7.400111.8L308 S309 R315 K316L308-Q312 WeakPolarHBondContact O-CG 3.41Å; L308-Q312 PolarHBondContact O-N 3.08Å; S309-Q312 WeakPolarHBondContact O-CB 3.38Å; S309-Q312 PolarHBondContact O-N 3.42Å; S309-Q312 VanDerWaalsContact O-N 3.1Å; Q312-R315 PolarHBondContact O-N 3.49Å; Q312-K316 WeakPolarHBondContact O-CB 3.3Å; Q312-K316 PolarHBondContact O-N 2.75Å
313D91.5Very high89.2Confident81 Ų8194.2 Ų94.243%0.43348%0.48SS..Hα-helixtrans-64.1-43.6177.7-72.6-34.3000111.5S309 R315 K316 Q317S309-D313 PolarHBondContact O-N 2.95Å; D313-R315 PolarHBondContact O-N 2.86Å; D313-K316 WeakPolarHBondContact O-CB 3Å; D313-K316 PolarHBondContact O-N 3.08Å; D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 3.46Å
314K88.9Confident88.9Confident131 Ų13191 Ų9157%0.5748%0.478SS*.Hα-helixtrans-61-44174.2-174.8173.5176.4175.40111.9A310 K316 Q317 Q318A310-K314 WeakPolarHBondContact O-CB 3.32Å; A310-K314 PolarHBondContact O-N 3.14Å; K314-K316 VanDerWaalsContact C-N 3.33Å; K314-K316 PolarHBondContact O-N 3.1Å; K314-Q317 PolarHBondContact O-N 3.49Å; K314-Q318 WeakPolarHBondContact O-CG 3.46Å; K314-Q318 PolarHBondContact O-N 3.27Å
315R85.8Confident88.6Confident176 Ų17692.2 Ų92.266%0.66448%0.483SS*.Hα-helixtrans-63.9-38.4175.1-77.3-178.7174-174.5-0.4112I311 Q312 D313 Q318 R319I311-R315 WeakPolarHBondContact O-CB 3.27Å; I311-R315 WeakPolarHBondContact O-CG 3.46Å; I311-R315 PolarHBondContact O-N 3.43Å; Q312-R315 PolarHBondContact O-N 3.49Å; D313-R315 PolarHBondContact O-N 2.86Å; R315-Q318 PolarHBondContact O-N 3.4Å; R315-R319 WeakPolarHBondContact O-CB 3.47Å; R315-R319 PolarHBondContact O-N 2.84Å
316K88.1Confident88.3Confident141 Ų14188.4 Ų88.461%0.61346%0.457SS*.Hα-helixtrans-64.8-45.2176.5-173179.5178.4-176.60111Q312 D313 K314 R319 C320Q312-K316 WeakPolarHBondContact O-CB 3.3Å; Q312-K316 PolarHBondContact O-N 2.75Å; D313-K316 WeakPolarHBondContact O-CB 3Å; D313-K316 PolarHBondContact O-N 3.08Å; K314-K316 VanDerWaalsContact C-N 3.33Å; K314-K316 PolarHBondContact O-N 3.1Å; K316-R319 PolarHBondContact O-N 3.09Å; K316-C320 PolarHBondContact O-N 2.63Å; K316-C320 PolarHBondContact O-SG 3.46Å
317Q89.3Confident88.1Confident138 Ų13887.6 Ų87.665%0.64545%0.445SS*.Hα-helixtrans-59.7-46.5174.8-73173.5-3.100111.8D313 K314 R319 C320 A321D313-Q317 WeakPolarHBondContact O-CG 3.45Å; D313-Q317 PolarHBondContact O-N 3.46Å; K314-Q317 PolarHBondContact O-N 3.49Å; Q317-R319 VanDerWaalsContact C-N 3.33Å; Q317-R319 PolarHBondContact O-N 3.3Å; Q317-C320 PolarHBondContact O-N 3.01Å; Q317-A321 WeakPolarHBondContact O-CB 3.42Å; Q317-A321 PolarHBondContact O-N 3.29Å
318Q85.8Confident87.9Confident83 Ų8386.3 Ų86.339%0.38844%0.442SS..Hα-helixtrans-60.7-41.4175.8-73176-25.100112.1K314 R315 A321 L322K314-Q318 WeakPolarHBondContact O-CG 3.46Å; K314-Q318 PolarHBondContact O-N 3.27Å; R315-Q318 PolarHBondContact O-N 3.4Å; Q318-A321 PolarHBondContact O-N 2.91Å; Q318-L322 WeakPolarHBondContact O-CB 3.16Å; Q318-L322 PolarHBondContact O-N 3.3Å
319R84.3Confident87.7Confident154 Ų15481.8 Ų81.858%0.58142%0.418SS*.Hα-helixtrans-65.7-41.3175.7-176.2176.8172.9177.2-1.6112.1R315 K316 Q317 L322 I323R315-R319 WeakPolarHBondContact O-CB 3.47Å; R315-R319 PolarHBondContact O-N 2.84Å; K316-R319 PolarHBondContact O-N 3.09Å; Q317-R319 VanDerWaalsContact C-N 3.33Å; Q317-R319 PolarHBondContact O-N 3.3Å; R319-L322 PolarHBondContact O-N 2.9Å; R319-I323 HydrophobicContact CG-CD1 3.95Å; R319-I323 VanDerWaalsContact O-CG1 3.28Å; R319-I323 WeakPolarHBondContact O-CG1 3.39Å; R319-I323 PolarHBondContact O-N 2.92Å
320C86.5Confident87.5Confident73 Ų7380.6 Ų80.649%0.49341%0.407SS..Hα-helixtrans-63.7-44.5175.9-70.10000111.6K316 Q317 L322 I323 S324K316-C320 PolarHBondContact O-N 2.63Å; K316-C320 PolarHBondContact O-SG 3.46Å; Q317-C320 PolarHBondContact O-N 3.01Å; C320-L322 VanDerWaalsContact C-N 3.33Å; C320-L322 PolarHBondContact O-N 2.9Å; C320-I323 PolarHBondContact O-N 3.45Å; C320-S324 WeakPolarHBondContact O-CB 3.26Å; C320-S324 PolarHBondContact O-N 2.94Å
321A87.1Confident87.3Confident52 Ų5283.4 Ų83.443%0.4341%0.409SS..Hα-helixtrans-61.5-42.1175.900000111.6Q317 Q318 S324 N325Q317-A321 WeakPolarHBondContact O-CB 3.42Å; Q317-A321 PolarHBondContact O-N 3.29Å; Q318-A321 PolarHBondContact O-N 2.91Å; A321-S324 PolarHBondContact O-N 2.72Å; A321-N325 WeakPolarHBondContact O-CB 3.23Å; A321-N325 VanDerWaalsContact O-CG 3.23Å; A321-N325 PolarHBondContact O-N 2.85Å; A321-N325 PolarHBondContact O-OD1 2.8Å
322L84.9Confident87.3Confident8 Ų881.4 Ų81.44%0.04240%0.4CS..Hα-helixtrans-61.9-49.6175.8177.867.5000112Q318 R319 C320 S324 N325 V326 S482 R483 Q486 T488Q318-L322 WeakPolarHBondContact O-CB 3.16Å; Q318-L322 PolarHBondContact O-N 3.3Å; R319-L322 PolarHBondContact O-N 2.9Å; C320-L322 VanDerWaalsContact C-N 3.33Å; C320-L322 PolarHBondContact O-N 2.9Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-S324 PolarHBondContact O-N 3.26Å; L322-N325 PolarHBondContact O-N 3.49Å; L322-V326 HydrophobicContact CD1-CG2 4.1Å; L322-V326 HydrophobicContact CG-CG2 4.41Å; L322-V326 WeakPolarHBondContact O-CB 3.42Å; L322-V326 WeakPolarHBondContact O-CG2 3.33Å; L322-V326 PolarHBondContact O-N 3.46Å; L322-S482 WeakPolarHBondContact CD1-OG 3.44Å; L322-R483 HydrophobicContact CD1-CB 4.41Å; L322-Q486 HydrophobicContact CD2-CB 3.74Å; L322-Q486 HydrophobicContact CD2-CG 4.01Å; L322-T488 HydrophobicContact CD2-CG2 3.98Å; L322-T488 VanDerWaalsContact CD2-OG1 3.27Å; L322-T488 WeakPolarHBondContact CD2-OG1 3.38Å
323I85.6Confident87.3Confident60 Ų6075 Ų7531%0.30837%0.37SS..Hα-helixtrans-58.6-45.7179.1-69.3166.8000109.4R319 C320 N325 V326 T327R319-I323 HydrophobicContact CG-CD1 3.95Å; R319-I323 VanDerWaalsContact O-CG1 3.28Å; R319-I323 WeakPolarHBondContact O-CG1 3.39Å; R319-I323 PolarHBondContact O-N 2.92Å; C320-I323 PolarHBondContact O-N 3.45Å; I323-N325 VanDerWaalsContact C-N 3.35Å; I323-N325 PolarHBondContact O-N 2.98Å; I323-V326 PolarHBondContact O-N 3.43Å; I323-T327 HydrophobicContact CG2-CG2 4.13Å; I323-T327 WeakPolarHBondContact O-CB 3.37Å; I323-T327 VanDerWaalsContact O-CG2 3.31Å; I323-T327 WeakPolarHBondContact O-CG2 3.49Å; I323-T327 PolarHBondContact O-N 3.17Å; I323-T327 PolarHBondContact O-OG1 2.84Å
324S87.5Confident87.1Confident67 Ų6773.6 Ų73.647%0.46937%0.369SS..Hα-helixtrans-58.4-44177.3-169.80000112.7C320 A321 L322 T327 L328C320-S324 WeakPolarHBondContact O-CB 3.26Å; C320-S324 PolarHBondContact O-N 2.94Å; A321-S324 PolarHBondContact O-N 2.72Å; L322-S324 VanDerWaalsContact C-N 3.28Å; L322-S324 PolarHBondContact O-N 3.26Å; S324-T327 WeakPolarHBondContact CA-OG1 3.35Å; S324-T327 PolarHBondContact O-OG1 2.72Å; S324-L328 VanDerWaalsContact O-CB 3.23Å; S324-L328 WeakPolarHBondContact O-CB 3.37Å; S324-L328 PolarHBondContact O-N 3.02Å
325N86.3Confident87.1Confident85 Ų8571.8 Ų71.846%0.45537%0.366SS..Hα-helixtrans-66.5-40.9179.3-72.1-6.7000111.9A321 L322 I323 A329A321-N325 WeakPolarHBondContact O-CB 3.23Å; A321-N325 VanDerWaalsContact O-CG 3.23Å; A321-N325 PolarHBondContact O-N 2.85Å; A321-N325 PolarHBondContact O-OD1 2.8Å; L322-N325 PolarHBondContact O-N 3.49Å; I323-N325 VanDerWaalsContact C-N 3.35Å; I323-N325 PolarHBondContact O-N 2.98Å; N325-A329 WeakPolarHBondContact O-CB 3.29Å; N325-A329 PolarHBondContact O-N 3.11Å
326V86.1Confident87.2Confident2 Ų264.5 Ų64.51%0.01234%0.34CS..Hα-helixtrans-67.8-46.1178.3168.60000110.6L322 I323 L328 A329 E330 A479 N491 L495L322-V326 HydrophobicContact CD1-CG2 4.1Å; L322-V326 HydrophobicContact CG-CG2 4.41Å; L322-V326 WeakPolarHBondContact O-CB 3.42Å; L322-V326 WeakPolarHBondContact O-CG2 3.33Å; L322-V326 PolarHBondContact O-N 3.46Å; I323-V326 PolarHBondContact O-N 3.43Å; V326-L328 VanDerWaalsContact C-N 3.32Å; V326-L328 PolarHBondContact O-N 3.08Å; V326-A329 PolarHBondContact O-N 3.29Å; V326-E330 WeakPolarHBondContact CG1-OE1 3.38Å; V326-E330 VanDerWaalsContact O-CG 3.3Å; V326-E330 WeakPolarHBondContact O-CG 3.25Å; V326-E330 PolarHBondContact O-N 2.99Å; V326-A479 HydrophobicContact CG2-CB 4.49Å; V326-N491 HydrophobicContact CG1-CB 3.88Å; V326-L495 HydrophobicContact CG1-CD1 4.04Å; V326-L495 HydrophobicContact CG1-CD2 4.4Å; V326-L495 HydrophobicContact CG1-CG 4.38Å
327T87.5Confident87.2Confident44 Ų4458.7 Ų58.727%0.2732%0.315SS..Hα-helixtrans-65-35.617754.30000112.6I323 S324 Q331I323-T327 HydrophobicContact CG2-CG2 4.13Å; I323-T327 WeakPolarHBondContact O-CB 3.37Å; I323-T327 VanDerWaalsContact O-CG2 3.31Å; I323-T327 WeakPolarHBondContact O-CG2 3.49Å; I323-T327 PolarHBondContact O-N 3.17Å; I323-T327 PolarHBondContact O-OG1 2.84Å; S324-T327 WeakPolarHBondContact CA-OG1 3.35Å; S324-T327 PolarHBondContact O-OG1 2.72Å; T327-Q331 WeakPolarHBondContact O-CB 3.41Å; T327-Q331 VanDerWaalsContact O-CG 3.31Å; T327-Q331 WeakPolarHBondContact O-CG 3.5Å; T327-Q331 PolarHBondContact O-N 3.45Å
328L89.2Confident87.1Confident84 Ų8459.4 Ų59.444%0.4432%0.316SS..Hα-helixtrans-66.1-44.9174.4-179.765.5000110.4S324 V326 E330 Q331 N332 R475S324-L328 VanDerWaalsContact O-CB 3.23Å; S324-L328 WeakPolarHBondContact O-CB 3.37Å; S324-L328 PolarHBondContact O-N 3.02Å; V326-L328 VanDerWaalsContact C-N 3.32Å; V326-L328 PolarHBondContact O-N 3.08Å; L328-E330 VanDerWaalsContact C-N 3.31Å; L328-E330 PolarHBondContact O-N 3.18Å; L328-Q331 PolarHBondContact O-N 3.37Å; L328-N332 VanDerWaalsContact CD1-ND2 3.35Å; L328-N332 WeakPolarHBondContact CD1-ND2 3.39Å; L328-N332 PolarHBondContact O-N 3.44Å; L328-N332 PolarHBondContact O-ND2 2.86Å; L328-R475 PolarHBondContact O-NH2 2.97Å
329A86Confident87.2Confident2 Ų260.3 Ų60.32%0.01732%0.321CS..Hα-helixtrans-59.3-43.6177.700000111.7N325 V326 A333 R475 L476 A479N325-A329 WeakPolarHBondContact O-CB 3.29Å; N325-A329 PolarHBondContact O-N 3.11Å; V326-A329 PolarHBondContact O-N 3.29Å; A329-A333 VanDerWaalsContact O-CB 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.12Å; A329-A333 PolarHBondContact O-N 3.15Å; A329-A333 VanDerWaalsContact O-N 3.08Å; A329-R475 PolarHBondContact O-NH2 2.89Å; A329-L476 HydrophobicContact CB-CD2 4.12Å; A329-A479 HydrophobicContact CB-CB 3.78Å
330E86.5Confident87.3Confident29 Ų2953.1 Ų53.114%0.13629%0.293CS..Hα-helixtrans-59.9-47.7174-70.5162.8-162.400112.6V326 L328 A333 A334 N491 V494 L495V326-E330 WeakPolarHBondContact CG1-OE1 3.38Å; V326-E330 VanDerWaalsContact O-CG 3.3Å; V326-E330 WeakPolarHBondContact O-CG 3.25Å; V326-E330 PolarHBondContact O-N 2.99Å; L328-E330 VanDerWaalsContact C-N 3.31Å; L328-E330 PolarHBondContact O-N 3.18Å; E330-A333 PolarHBondContact O-N 3.23Å; E330-A334 PolarHBondContact O-N 2.97Å; E330-N491 WeakPolarHBondContact OE1-CB 3.3Å; E330-N491 VanDerWaalsContact OE1-CG 3.23Å; E330-N491 PolarHBondContact OE1-ND2 3.34Å; E330-N491 PolarHBondContact OE2-ND2 2.92Å; E330-V494 HydrophobicContact CB-CG1 4.44Å; E330-V494 HydrophobicContact CG-CB 4.46Å; E330-V494 HydrophobicContact CG-CG1 3.82Å; E330-L495 HydrophobicContact CG-CD2 3.87Å
331Q89.2Confident87.1Confident118 Ų11854 Ų5455%0.55129%0.293SS*.Hα-helixtrans-61.7-52.1-177.8-78.9174.8-3.600111.8T327 L328 A333 A334 D335T327-Q331 WeakPolarHBondContact O-CB 3.41Å; T327-Q331 VanDerWaalsContact O-CG 3.31Å; T327-Q331 WeakPolarHBondContact O-CG 3.5Å; T327-Q331 PolarHBondContact O-N 3.45Å; L328-Q331 PolarHBondContact O-N 3.37Å; Q331-A333 VanDerWaalsContact C-N 3.32Å; Q331-A333 PolarHBondContact O-N 2.93Å; Q331-A334 PolarHBondContact O-N 3.35Å; Q331-D335 PolarHBondContact O-N 3.42Å
332N89.7Confident86.9Confident48 Ų4854.2 Ų54.226%0.25730%0.295SS..Hα-helixtrans-74.7-23.1-177.9-23-96.1000113L328 D335 I336 R475L328-N332 VanDerWaalsContact CD1-ND2 3.35Å; L328-N332 WeakPolarHBondContact CD1-ND2 3.39Å; L328-N332 PolarHBondContact O-N 3.44Å; L328-N332 PolarHBondContact O-ND2 2.86Å; N332-D335 PolarHBondContact O-N 3.02Å; N332-I336 WeakPolarHBondContact O-CB 3.43Å; N332-I336 WeakPolarHBondContact O-CG1 3.44Å; N332-I336 PolarHBondContact O-N 3.45Å; N332-R475 VanDerWaalsContact CG-NH1 3.3Å; N332-R475 PolarHBondContact ND2-NH1 2.96Å; N332-R475 PolarHBondContact ND2-NH2 2.93Å
333A86.8Confident86.7Confident0 Ų056.9 Ų56.90%031%0.308CS..Hα-helixtrans-61.2-47.7167.500000111.2A329 E330 Q331 D335 I336 I337 E472 L476 C498 L502A329-A333 VanDerWaalsContact O-CB 3.32Å; A329-A333 WeakPolarHBondContact O-CB 3.12Å; A329-A333 PolarHBondContact O-N 3.15Å; A329-A333 VanDerWaalsContact O-N 3.08Å; E330-A333 PolarHBondContact O-N 3.23Å; Q331-A333 VanDerWaalsContact C-N 3.32Å; Q331-A333 PolarHBondContact O-N 2.93Å; A333-D335 PolarHBondContact O-N 3.41Å; A333-I336 PolarHBondContact O-N 3.39Å; A333-I337 WeakPolarHBondContact O-CD1 3.4Å; A333-I337 VanDerWaalsContact O-CG1 3.22Å; A333-I337 WeakPolarHBondContact O-CG1 3.44Å; A333-I337 PolarHBondContact O-N 3.22Å; A333-E472 HydrophobicContact CB-CG 3.97Å; A333-L476 HydrophobicContact CB-CD1 4.39Å; A333-L476 HydrophobicContact CB-CD2 4.41Å; A333-C498 HydrophobicContact CB-CB 4.09Å; A333-L502 HydrophobicContact CB-CD1 4.21Å
334A88.7Confident86.4Confident50 Ų5054.8 Ų54.841%0.41330%0.298SS..Hα-helixtrans-62.9-41176.400000112.5E330 Q331 I337 K338E330-A334 PolarHBondContact O-N 2.97Å; Q331-A334 PolarHBondContact O-N 3.35Å; A334-I337 PolarHBondContact O-N 3.31Å; A334-K338 WeakPolarHBondContact O-CB 3.22Å; A334-K338 PolarHBondContact O-N 3.49Å
335D89Confident85.8Confident94 Ų9459.8 Ų59.850%0.50331%0.311SS..Hα-helixtrans-67.2-41.3178.7-72.2-29.7000112.1Q331 N332 A333 K338 Q339Q331-D335 PolarHBondContact O-N 3.42Å; N332-D335 PolarHBondContact O-N 3.02Å; A333-D335 PolarHBondContact O-N 3.41Å; D335-K338 PolarHBondContact O-N 3.42Å; D335-Q339 VanDerWaalsContact O-CB 3.27Å; D335-Q339 WeakPolarHBondContact O-CB 3.3Å; D335-Q339 PolarHBondContact O-N 3.06Å
336I87.9Confident85.1Confident22 Ų2259.4 Ų59.411%0.11332%0.315CS..Hα-helixtrans-62.8-46.8175.7-73.6170.9000110.3N332 A333 K338 Q339 I340 E472N332-I336 WeakPolarHBondContact O-CB 3.43Å; N332-I336 WeakPolarHBondContact O-CG1 3.44Å; N332-I336 PolarHBondContact O-N 3.45Å; A333-I336 PolarHBondContact O-N 3.39Å; I336-K338 VanDerWaalsContact C-N 3.3Å; I336-K338 PolarHBondContact O-N 2.99Å; I336-Q339 PolarHBondContact O-N 2.75Å; I336-I340 HydrophobicContact CG2-CD1 3.59Å; I336-I340 HydrophobicContact CG2-CG1 4.22Å; I336-I340 WeakPolarHBondContact O-CB 3.27Å; I336-I340 VanDerWaalsContact O-CG1 3.31Å; I336-I340 WeakPolarHBondContact O-CG1 3.39Å; I336-I340 PolarHBondContact O-N 3.09Å; I336-E472 HydrophobicContact CD1-CB 3.82Å; I336-E472 HydrophobicContact CD1-CG 3.96Å; I336-E472 VanDerWaalsContact CD1-OE2 3.3Å; I336-E472 WeakPolarHBondContact CD1-OE2 3.32Å
337I87.2Confident84.6Confident19 Ų1959.9 Ų59.910%0.09732%0.319CS..Hα-helixtrans-57-47.8176.7-68164.6000110A333 A334 Q339 I340 L341 E501 L502A333-I337 WeakPolarHBondContact O-CD1 3.4Å; A333-I337 VanDerWaalsContact O-CG1 3.22Å; A333-I337 WeakPolarHBondContact O-CG1 3.44Å; A333-I337 PolarHBondContact O-N 3.22Å; A334-I337 PolarHBondContact O-N 3.31Å; I337-Q339 PolarHBondContact O-N 3.45Å; I337-I340 PolarHBondContact O-N 3.16Å; I337-L341 HydrophobicContact CG2-CD1 3.91Å; I337-L341 HydrophobicContact CG2-CG 4.48Å; I337-L341 WeakPolarHBondContact O-CB 3.31Å; I337-L341 VanDerWaalsContact O-CG 3.24Å; I337-L341 WeakPolarHBondContact O-CG 3.22Å; I337-L341 PolarHBondContact O-N 3.13Å; I337-E501 HydrophobicContact CD1-CB 3.89Å; I337-E501 WeakPolarHBondContact CD1-OE2 3.36Å; I337-L502 HydrophobicContact CD1-CD2 4.1Å; I337-L502 HydrophobicContact CD1-CG 4.12Å; I337-L502 HydrophobicContact CG1-CD2 3.63Å; I337-L502 HydrophobicContact CG1-CG 4.21Å
338K87.7Confident84Confident154 Ų15462.9 Ų62.967%0.6733%0.329SS*.Hα-helixtrans-62.5-42.1178.5-174.4-179.7178.3-175.90112.2A334 D335 I336 A342A334-K338 WeakPolarHBondContact O-CB 3.22Å; A334-K338 PolarHBondContact O-N 3.49Å; D335-K338 PolarHBondContact O-N 3.42Å; I336-K338 VanDerWaalsContact C-N 3.3Å; I336-K338 PolarHBondContact O-N 2.99Å; K338-A342 WeakPolarHBondContact O-CB 3.48Å; K338-A342 PolarHBondContact O-N 2.94Å
339Q87.9Confident83Confident102 Ų10264.3 Ų64.348%0.47734%0.336SS..Hα-helixtrans-64.5-48.3179-176.2179.218.100111.1D335 I336 I337 L341 A342 I343D335-Q339 VanDerWaalsContact O-CB 3.27Å; D335-Q339 WeakPolarHBondContact O-CB 3.3Å; D335-Q339 PolarHBondContact O-N 3.06Å; I336-Q339 PolarHBondContact O-N 2.75Å; I337-Q339 PolarHBondContact O-N 3.45Å; Q339-L341 PolarHBondContact O-N 3.46Å; Q339-A342 PolarHBondContact O-N 2.86Å; Q339-A342 VanDerWaalsContact O-N 3.16Å; Q339-I343 HydrophobicContact CG-CD1 3.73Å; Q339-I343 HydrophobicContact CG-CG1 4.38Å; Q339-I343 WeakPolarHBondContact O-CG1 3.47Å; Q339-I343 PolarHBondContact O-N 2.93Å
340I85Confident82.2Confident2 Ų267.2 Ų67.21%0.0135%0.351CS..Hα-helixtrans-63.2-43.1179.8-67174.9000110.4I336 I337 A342 I343 N344 E465 I469 L505I336-I340 HydrophobicContact CG2-CD1 3.59Å; I336-I340 HydrophobicContact CG2-CG1 4.22Å; I336-I340 WeakPolarHBondContact O-CB 3.27Å; I336-I340 VanDerWaalsContact O-CG1 3.31Å; I336-I340 WeakPolarHBondContact O-CG1 3.39Å; I336-I340 PolarHBondContact O-N 3.09Å; I337-I340 PolarHBondContact O-N 3.16Å; I340-A342 VanDerWaalsContact C-N 3.3Å; I340-A342 PolarHBondContact O-N 3.31Å; I340-I343 PolarHBondContact O-N 3.04Å; I340-N344 WeakPolarHBondContact CG2-ND2 3.48Å; I340-N344 VanDerWaalsContact O-CB 3.26Å; I340-N344 WeakPolarHBondContact O-CB 3.28Å; I340-N344 PolarHBondContact O-N 2.76Å; I340-N344 PolarHBondContact O-ND2 3.43Å; I340-E465 HydrophobicContact CD1-CB 4.44Å; I340-E465 HydrophobicContact CG1-CG 4.29Å; I340-E465 HydrophobicContact CG2-CG 4.33Å; I340-E465 WeakPolarHBondContact CG2-OE2 3.4Å; I340-I469 HydrophobicContact CD1-CD1 3.81Å; I340-I469 HydrophobicContact CD1-CG1 3.57Å; I340-L505 HydrophobicContact CB-CD2 4.11Å; I340-L505 HydrophobicContact CD1-CD2 4.03Å; I340-L505 HydrophobicContact CG2-CD1 4.21Å; I340-L505 HydrophobicContact CG2-CD2 3.79Å; I340-L505 HydrophobicContact CG2-CG 4.37Å
341L83.8Confident81.6Confident91 Ų9166.5 Ų66.548%0.47635%0.347SS..Hα-helixtrans-64.1-33.2175.9-70.7174.9000112.9I337 Q339 K345I337-L341 HydrophobicContact CG2-CD1 3.91Å; I337-L341 HydrophobicContact CG2-CG 4.48Å; I337-L341 WeakPolarHBondContact O-CB 3.31Å; I337-L341 VanDerWaalsContact O-CG 3.24Å; I337-L341 WeakPolarHBondContact O-CG 3.22Å; I337-L341 PolarHBondContact O-N 3.13Å; Q339-L341 PolarHBondContact O-N 3.46Å; L341-K345 WeakPolarHBondContact O-CG 3.4Å
342A81.6Confident80.7Confident57 Ų5767.9 Ų67.947%0.47135%0.351SS..Hα-helixtrans-72.9-47.1176.200000111.9K338 Q339 I340 N344 K345 S346K338-A342 WeakPolarHBondContact O-CB 3.48Å; K338-A342 PolarHBondContact O-N 2.94Å; Q339-A342 PolarHBondContact O-N 2.86Å; Q339-A342 VanDerWaalsContact O-N 3.16Å; I340-A342 VanDerWaalsContact C-N 3.3Å; I340-A342 PolarHBondContact O-N 3.31Å; A342-N344 PolarHBondContact O-N 3.11Å; A342-K345 WeakPolarHBondContact O-CB 3.39Å; A342-K345 PolarHBondContact O-N 2.67Å; A342-K345 VanDerWaalsContact O-N 3.15Å; A342-S346 PolarHBondContact O-N 3.47Å
343I80.8Confident79.6Confident64 Ų6467 Ų6733%0.32835%0.346SS..Hα-helixtrans-62.3-43.9178.8-68172.3000110.3Q339 I340 K345 S346 A347 R461Q339-I343 HydrophobicContact CG-CD1 3.73Å; Q339-I343 HydrophobicContact CG-CG1 4.38Å; Q339-I343 WeakPolarHBondContact O-CG1 3.47Å; Q339-I343 PolarHBondContact O-N 2.93Å; I340-I343 PolarHBondContact O-N 3.04Å; I343-K345 PolarHBondContact O-N 3.42Å; I343-K345 VanDerWaalsContact O-N 3.15Å; I343-S346 PolarHBondContact O-N 2.9Å; I343-S346 VanDerWaalsContact O-N 3.12Å; I343-S346 PolarHBondContact O-OG 2.86Å; I343-S346 VanDerWaalsContact O-OG 3.09Å; I343-A347 HydrophobicContact CG2-CB 4.44Å; I343-A347 WeakPolarHBondContact O-CB 3.38Å; I343-A347 PolarHBondContact O-N 3.43Å; I343-R461 HydrophobicContact CG2-CG 4.41Å
344N80Confident78.8Confident16 Ų1667.8 Ų67.89%0.08635%0.35CS..Hα-helixtrans-57.6-30.2177-90.1-66.6000113I340 A342 K348 R461 E465I340-N344 WeakPolarHBondContact CG2-ND2 3.48Å; I340-N344 VanDerWaalsContact O-CB 3.26Å; I340-N344 WeakPolarHBondContact O-CB 3.28Å; I340-N344 PolarHBondContact O-N 2.76Å; I340-N344 PolarHBondContact O-ND2 3.43Å; A342-N344 PolarHBondContact O-N 3.11Å; N344-K348 WeakPolarHBondContact O-CD 3.2Å; N344-K348 WeakPolarHBondContact O-CG 3.32Å; N344-R461 PolarHBondContact OD1-NH1 3.03Å; N344-E465 PolarHBondContact ND2-OE2 3.45Å
345K74.1Confident78.1Confident172 Ų17267.3 Ų67.375%0.74834%0.34SS*.Hα-helixtrans-73.7-42.5176.4-72.8175.1-177.3179.30112.3L341 A342 I343L341-K345 WeakPolarHBondContact O-CG 3.4Å; A342-K345 WeakPolarHBondContact O-CB 3.39Å; A342-K345 PolarHBondContact O-N 2.67Å; A342-K345 VanDerWaalsContact O-N 3.15Å; I343-K345 PolarHBondContact O-N 3.42Å; I343-K345 VanDerWaalsContact O-N 3.15Å
346S71.5Confident77.1Confident78 Ų7865.2 Ų65.255%0.54533%0.331SS..Hα-helixtrans-78.2-37.1-179.950.40000113.1A342 I343 K348 L349A342-S346 PolarHBondContact O-N 3.47Å; I343-S346 PolarHBondContact O-N 2.9Å; I343-S346 VanDerWaalsContact O-N 3.12Å; I343-S346 PolarHBondContact O-OG 2.86Å; I343-S346 VanDerWaalsContact O-OG 3.09Å; S346-K348 PolarHBondContact O-N 2.91Å; S346-L349 PolarHBondContact O-N 2.99Å
347A76.8Confident76Confident12 Ų1265.7 Ų65.710%0.09933%0.332CS..Hα-helixtrans-66.7-37.3-176.600000112.3I343 L349 I350 E351 R461I343-A347 HydrophobicContact CG2-CB 4.44Å; I343-A347 WeakPolarHBondContact O-CB 3.38Å; I343-A347 PolarHBondContact O-N 3.43Å; A347-L349 PolarHBondContact O-N 2.81Å; A347-I350 PolarHBondContact O-N 2.92Å; A347-E351 WeakPolarHBondContact O-CG 3.44Å; A347-E351 PolarHBondContact O-N 3.49Å; A347-R461 VanDerWaalsContact CB-CD 3.46Å
348K74.2Confident75.2Confident107 Ų10766.4 Ų66.447%0.46534%0.336SS..Hα-helixtrans-54.5-25.6179.6-83.9177.9-175.7-1740114.7N344 S346 K352N344-K348 WeakPolarHBondContact O-CD 3.2Å; N344-K348 WeakPolarHBondContact O-CG 3.32Å; S346-K348 PolarHBondContact O-N 2.91Å; K348-K352 VanDerWaalsContact O-CG 3.29Å; K348-K352 WeakPolarHBondContact O-CG 3.48Å
349L68.2Low74.2Confident113 Ų11362.2 Ų62.259%0.59233%0.33SS*.Hα-helixtrans-76.2-47.7175.3-173.566.6000111S346 A347 K352 M353S346-L349 PolarHBondContact O-N 2.99Å; A347-L349 PolarHBondContact O-N 2.81Å; L349-K352 PolarHBondContact O-N 3.44Å; L349-M353 HydrophobicContact CG-CE 4.38Å; L349-M353 WeakPolarHBondContact O-CG 3.35Å; L349-M353 PolarHBondContact O-N 3.34Å
350I69Low73.1Confident64 Ų6460 Ų6033%0.32832%0.32SS..Hα-helixtrans-63.5-43.9-178.9-60.4172.8000110.3A347 K352 M353 E354 V552A347-I350 PolarHBondContact O-N 2.92Å; I350-K352 VanDerWaalsContact C-N 3.3Å; I350-K352 PolarHBondContact O-N 3.12Å; I350-M353 WeakPolarHBondContact O-CA 3.36Å; I350-M353 WeakPolarHBondContact O-CB 3.4Å; I350-M353 PolarHBondContact O-N 3.15Å; I350-E354 HydrophobicContact CG2-CG 4.48Å; I350-E354 PolarHBondContact O-N 3.15Å; I350-V552 HydrophobicContact CG2-CG1 4.2Å
351E74.3Confident72.2Confident13 Ų1361 Ų616%0.06133%0.325CS..Hα-helixtrans-60.4-39.3179.7-67.3171.6168.300112.4A347 M353 E354 D355 Q458 R461A347-E351 WeakPolarHBondContact O-CG 3.44Å; A347-E351 PolarHBondContact O-N 3.49Å; E351-M353 VanDerWaalsContact C-N 3.34Å; E351-E354 PolarHBondContact O-N 3.47Å; E351-D355 PolarHBondContact O-N 3.36Å; E351-Q458 HydrophobicContact CG-CB 3.91Å; E351-Q458 HydrophobicContact CG-CG 4.34Å; E351-R461 IonicContact OE1-CZ 3.42Å; E351-R461 IonicContact OE1-NE 2.61Å; E351-R461 PolarHBondContact OE1-NE 2.99Å; E351-R461 IonicContact OE1-NH2 3.27Å; E351-R461 PolarHBondContact OE1-NH2 3.37Å; E351-R461 IonicContact OE2-NH2 2.67Å; E351-R461 PolarHBondContact OE2-NH2 3.38Å
352K70.6Confident71.4Confident147 Ų14757.4 Ų57.464%0.63931%0.305SS*.Hα-helixtrans-65.1-38.7173.9-74.5178-179.6-172.70111.9K348 L349 I350 V356K348-K352 VanDerWaalsContact O-CG 3.29Å; K348-K352 WeakPolarHBondContact O-CG 3.48Å; L349-K352 PolarHBondContact O-N 3.44Å; I350-K352 VanDerWaalsContact C-N 3.3Å; I350-K352 PolarHBondContact O-N 3.12Å; K352-V356 WeakPolarHBondContact O-CG2 3.38Å; K352-V356 PolarHBondContact O-N 3.45Å
353M65.8Low70.3Confident31 Ų3158 Ų5815%0.15331%0.306CS..Hα-helixtrans-65.8-41.8175.9-60-161.5166.700111.2L349 I350 E351 V356 F357 V552 L575 P576L349-M353 HydrophobicContact CG-CE 4.38Å; L349-M353 WeakPolarHBondContact O-CG 3.35Å; L349-M353 PolarHBondContact O-N 3.34Å; I350-M353 WeakPolarHBondContact O-CA 3.36Å; I350-M353 WeakPolarHBondContact O-CB 3.4Å; I350-M353 PolarHBondContact O-N 3.15Å; E351-M353 VanDerWaalsContact C-N 3.34Å; M353-V356 PolarHBondContact O-N 2.88Å; M353-F357 WeakPolarHBondContact O-CB 3.35Å; M353-F357 PolarHBondContact O-N 2.88Å; M353-V552 HydrophobicContact CB-CG1 4.29Å; M353-L575 HydrophobicContact CE-CD2 4.39Å; M353-P576 HydrophobicContact CB-CB 4.12Å; M353-P576 HydrophobicContact CB-CG 3.91Å; M353-P576 HydrophobicContact CE-CG 3.97Å; M353-P576 HydrophobicContact CG-CB 4.19Å; M353-P576 HydrophobicContact CG-CG 3.51Å; M353-P576 HydrophobicContact SD-CB 4.31Å; M353-P576 HydrophobicContact SD-CG 3.83Å
354E71.1Confident69.1Low15 Ų1557.4 Ų57.47%0.0731%0.307CS..Hα-helixtrans-64.8-40.2176.8-77.2-179.2-17500112.9I350 E351 V356 F357 N358 S457 V552I350-E354 HydrophobicContact CG2-CG 4.48Å; I350-E354 PolarHBondContact O-N 3.15Å; E351-E354 PolarHBondContact O-N 3.47Å; E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 3.08Å; E354-F357 WeakPolarHBondContact O-CB 3.31Å; E354-F357 PolarHBondContact O-N 3.08Å; E354-N358 VanDerWaalsContact O-CB 3.3Å; E354-N358 WeakPolarHBondContact O-CB 3.35Å; E354-N358 PolarHBondContact O-N 3.15Å; E354-N358 PolarHBondContact O-ND2 2.92Å; E354-N358 VanDerWaalsContact O-ND2 3.16Å; E354-S457 VanDerWaalsContact OE1-CB 3.3Å; E354-S457 WeakPolarHBondContact OE1-CB 3.42Å; E354-S457 PolarHBondContact OE1-OG 3.08Å; E354-S457 WeakPolarHBondContact OE2-CB 3.44Å; E354-S457 PolarHBondContact OE2-N 3.09Å; E354-S457 PolarHBondContact OE2-OG 3.26Å; E354-V552 HydrophobicContact CG-CB 3.99Å; E354-V552 HydrophobicContact CG-CG1 4.42Å; E354-V552 HydrophobicContact CG-CG2 3.55Å
355D73.2Confident67.8Low40 Ų4061.6 Ų61.621%0.21433%0.333CS..Hα-helixtrans-61.2-42.1176.1-84.5-22.8000112E351 A359 R516 R523E351-D355 PolarHBondContact O-N 3.36Å; D355-A359 WeakPolarHBondContact O-CB 3.32Å; D355-A359 PolarHBondContact O-N 3.5Å; D355-R516 IonicContact OD1-CZ 3.37Å; D355-R516 VanDerWaalsContact OD1-CZ 3.27Å; D355-R516 IonicContact OD1-NH1 2.79Å; D355-R516 PolarHBondContact OD1-NH1 3.44Å; D355-R516 IonicContact OD1-NH2 3.2Å; D355-R516 PolarHBondContact OD1-NH2 3.25Å; D355-R516 IonicContact OD2-NH1 3.04Å; D355-R516 PolarHBondContact OD2-NH1 3.27Å; D355-R523 IonicContact OD1-CZ 3.81Å; D355-R523 IonicContact OD1-NH1 2.79Å; D355-R523 PolarHBondContact OD1-NH1 3.32Å; D355-R523 IonicContact OD1-NH2 3.52Å; D355-R523 PolarHBondContact OD1-NH2 2.9Å; D355-R523 IonicContact OD2-NH2 2.74Å
356V68.3Low67Low50 Ų5060.1 Ų60.130%0.30333%0.334SS..Hα-helixtrans-65.1-44.3173.5175.20000110.6K352 M353 E354 N358 A359 H360K352-V356 WeakPolarHBondContact O-CG2 3.38Å; K352-V356 PolarHBondContact O-N 3.45Å; M353-V356 PolarHBondContact O-N 2.88Å; E354-V356 VanDerWaalsContact C-N 3.32Å; E354-V356 PolarHBondContact O-N 3.08Å; V356-N358 PolarHBondContact O-N 3.35Å; V356-A359 PolarHBondContact O-N 3.22Å; V356-H360 PolarHBondContact O-CD2 3.06Å; V356-H360 PolarHBondContact O-N 3.17Å
357F65.3Low66.4Low32 Ų3259.2 Ų59.214%0.1432%0.319CS..Hα-helixtrans-59.4-47.9179.1-172.9-90.5000111.9M353 E354 H360 Q361 R580M353-F357 WeakPolarHBondContact O-CB 3.35Å; M353-F357 PolarHBondContact O-N 2.88Å; E354-F357 WeakPolarHBondContact O-CB 3.31Å; E354-F357 PolarHBondContact O-N 3.08Å; F357-H360 PolarHBondContact O-N 3.11Å; F357-Q361 WeakPolarHBondContact O-CB 3.32Å; F357-Q361 PolarHBondContact O-N 3.24Å; F357-R580 HydrophobicContact CD2-CG 4.41Å; F357-R580 HydrophobicContact CE2-CB 4.48Å; F357-R580 HydrophobicContact CE2-CG 3.95Å
358N69.1Low65.6Low35 Ų3564.4 Ų64.419%0.18735%0.35CS..Hα-helixtrans-66-41.2-179.3-72.9-31.6000111.9E354 V356 H360 Q361 F362E354-N358 VanDerWaalsContact O-CB 3.3Å; E354-N358 WeakPolarHBondContact O-CB 3.35Å; E354-N358 PolarHBondContact O-N 3.15Å; E354-N358 PolarHBondContact O-ND2 2.92Å; E354-N358 VanDerWaalsContact O-ND2 3.16Å; V356-N358 PolarHBondContact O-N 3.35Å; N358-H360 VanDerWaalsContact C-N 3.26Å; N358-H360 PolarHBondContact O-N 2.98Å; N358-Q361 PolarHBondContact O-N 3.41Å; N358-F362 WeakPolarHBondContact O-CD2 3.41Å
359A68Low65Low66 Ų6665.1 Ų65.155%0.54537%0.368SS..Hα-helixtrans-59.4-37.1176.900000112.5D355 V356D355-A359 WeakPolarHBondContact O-CB 3.32Å; D355-A359 PolarHBondContact O-N 3.5Å; V356-A359 PolarHBondContact O-N 3.22Å
360H64.7Low64.9Low55 Ų5561.7 Ų61.726%0.25535%0.35SS..Hα-helixtrans-84.4-21178.2-70.4-62000114.2V356 F357 N358 S363V356-H360 PolarHBondContact O-CD2 3.06Å; V356-H360 PolarHBondContact O-N 3.17Å; F357-H360 PolarHBondContact O-N 3.11Å; N358-H360 VanDerWaalsContact C-N 3.26Å; N358-H360 PolarHBondContact O-N 2.98Å; H360-S363 PolarHBondContact O-OG 2.92Å; H360-S363 VanDerWaalsContact O-OG 3.1Å
361Q66.7Low65.1Low24 Ų2462.2 Ų62.211%0.11236%0.36CS..Hα-helixtrans-69.6-38.1-175.2-170.8174.49.400112.3F357 N358 S364 R545F357-Q361 WeakPolarHBondContact O-CB 3.32Å; F357-Q361 PolarHBondContact O-N 3.24Å; N358-Q361 PolarHBondContact O-N 3.41Å; Q361-S364 PolarHBondContact O-OG 2.76Å; Q361-R545 PolarHBondContact NE2-O 2.79Å
362F66.4Low65.2Low14 Ų1468.9 Ų68.96%0.06139%0.391CS..THydrogen-bonded Turntrans-90-11.5-173.7-58.6-68.2000114.6N358 S364 F448 I527 Q530 V546N358-F362 WeakPolarHBondContact O-CD2 3.41Å; F362-S364 VanDerWaalsContact C-N 3.27Å; F362-S364 PolarHBondContact O-N 3.23Å; F362-F448 HydrophobicContact CE1-CE2 4.3Å; F362-F448 HydrophobicContact CE1-CZ 4.05Å; F362-F448 HydrophobicContact CZ-CZ 4.11Å; F362-I527 HydrophobicContact CB-CD1 4.47Å; F362-I527 HydrophobicContact CB-CG1 4.25Å; F362-I527 HydrophobicContact CD1-CD1 4.26Å; F362-I527 HydrophobicContact CD2-CD1 3.95Å; F362-I527 HydrophobicContact CE2-CD1 4.26Å; F362-I527 HydrophobicContact CG-CD1 3.95Å; F362-I527 HydrophobicContact CG-CG1 4.28Å; F362-Q530 PolarHBondContact O-OE1 2.9Å; F362-V546 HydrophobicContact CE1-CG2 3.93Å; F362-V546 HydrophobicContact CZ-CG2 3.65Å
363S58.7Low65.4Low70 Ų7066.4 Ų66.449%0.4939%0.392SS..THydrogen-bonded Turntrans-72.5-15.9-179.961.80000114.4H360 T365H360-S363 PolarHBondContact O-OG 2.92Å; H360-S363 VanDerWaalsContact O-OG 3.1Å; S363-T365 PolarHBondContact O-N 3.18Å
364S55.8Low65.8Low52 Ų5267.8 Ų67.836%0.36440%0.397SS..  trans-66.1118.1-179.459.80000112.3Q361 F362 D366 R545Q361-S364 PolarHBondContact O-OG 2.76Å; F362-S364 VanDerWaalsContact C-N 3.27Å; F362-S364 PolarHBondContact O-N 3.23Å; S364-D366 VanDerWaalsContact C-N 3.3Å; S364-D366 PolarHBondContact O-N 2.82Å; S364-R545 PolarHBondContact O-NH1 3.14Å; S364-R545 PolarHBondContact O-NH2 3.25Å; S364-R545 PolarHBondContact OG-NH1 3.39Å; S364-R545 PolarHBondContact OG-NH2 2.76Å
365T52.3Low66.1Low103 Ų10369.6 Ų69.663%0.63240%0.403SS*.  trans-81.5-4.5-175.7-31.70000113.9S363 Y367S363-T365 PolarHBondContact O-N 3.18Å; T365-Y367 WeakPolarHBondContact O-CD2 3.41Å; T365-Y367 PolarHBondContact O-N 2.96Å
366D56.1Low66.3Low141 Ų14171.5 Ų71.575%0.75441%0.413SS*.  trans-75.398.9179.8-67.6-26.3000110.3S364 R545S364-D366 VanDerWaalsContact C-N 3.3Å; S364-D366 PolarHBondContact O-N 2.82Å; D366-R545 PolarHBondContact O-NH2 3.23Å
367Y60Low66.9Low60 Ų6074.3 Ų74.324%0.23542%0.423CS..  trans-109.9104.3174.1-67-79.1000109.3T365 Q535 F538 V541 Q542T365-Y367 WeakPolarHBondContact O-CD2 3.41Å; T365-Y367 PolarHBondContact O-N 2.96Å; Y367-Q535 VanDerWaalsContact CE1-NE2 3.35Å; Y367-F538 HydrophobicContact CE1-CD2 4.23Å; Y367-F538 HydrophobicContact CE1-CE2 4.19Å; Y367-F538 AromaticContact CZ-CE2 3.96Å; Y367-V541 HydrophobicContact CD1-CG1 4Å; Y367-V541 HydrophobicContact CE1-CG1 4.31Å; Y367-Q542 PolarHBondContact OH-NE2 2.8Å
368T60.3Low67.6Low121 Ų12172.8 Ų72.874%0.74242%0.416SS*.PPolyproline II helixtrans-91.2138.5168.447.70000109.5L370T368-L370 PolarHBondContact O-N 3.38Å
369S61.5Low68Low122 Ų12271.5 Ų71.585%0.85341%0.409SS*.PPolyproline II helixtrans-60.8130.9175.960.70000109.9
370L66Low68.6Low41 Ų4170.9 Ų70.922%0.21541%0.405CS..PPolyproline II helixtrans-73.4137.6-178.7-16371.4000110.9T368 K374 R375 I378 L540T368-L370 PolarHBondContact O-N 3.38Å; L370-K374 HydrophobicContact CD1-CB 3.92Å; L370-K374 HydrophobicContact CD1-CG 3.61Å; L370-K374 HydrophobicContact CD2-CB 4.41Å; L370-K374 HydrophobicContact CD2-CG 4.44Å; L370-K374 HydrophobicContact CG-CB 3.94Å; L370-K374 HydrophobicContact CG-CG 4.13Å; L370-R375 VanDerWaalsContact CD2-CA 3.46Å; L370-R375 HydrophobicContact CD2-CB 3.92Å; L370-I378 HydrophobicContact CD1-CD1 4.22Å; L370-I378 HydrophobicContact CD2-CD1 3.47Å; L370-I378 VanDerWaalsContact CD2-CD1 3.47Å; L370-I378 HydrophobicContact CG-CD1 4.45Å; L370-L540 HydrophobicContact CD2-CB 4.47Å
371S73.2Confident69.3Low75 Ų7570 Ų7052%0.52440%0.404SS..PPolyproline II helixtrans-67.4147.5174.471.10000110.6S373 K374 R375S371-S373 PolarHBondContact O-N 3.47Å; S371-S373 VanDerWaalsContact O-N 3.16Å; S371-K374 PolarHBondContact O-N 3.06Å; S371-R375 PolarHBondContact O-N 3.28Å
372Q75.8Confident70Confident153 Ų15368.9 Ų68.972%0.71540%0.399SS*.Hα-helixtrans-58.5-33.3-175.1-169.1167.816.700113.3R375 N376Q372-R375 WeakPolarHBondContact O-CB 3.29Å; Q372-N376 PolarHBondContact O-N 2.95Å; Q372-N376 VanDerWaalsContact O-N 3.14Å
373S74.7Confident70.5Confident94 Ų9471.2 Ų71.266%0.65741%0.41SS*.Hα-helixtrans-63.5-49.3174-172.10000111.5S371 R375 N376 E377S371-S373 PolarHBondContact O-N 3.47Å; S371-S373 VanDerWaalsContact O-N 3.16Å; S373-R375 VanDerWaalsContact C-N 3.3Å; S373-R375 PolarHBondContact O-N 3.37Å; S373-N376 PolarHBondContact O-N 3.46Å; S373-E377 PolarHBondContact O-N 3.3Å
374K74.8Confident71.3Confident61 Ų6174.3 Ų74.327%0.26542%0.417SS..Hα-helixtrans-66.3-35179.6-164.874.1-158.2166.90111.8L370 S371 E377 I378L370-K374 HydrophobicContact CD1-CB 3.92Å; L370-K374 HydrophobicContact CD1-CG 3.61Å; L370-K374 HydrophobicContact CD2-CB 4.41Å; L370-K374 HydrophobicContact CD2-CG 4.44Å; L370-K374 HydrophobicContact CG-CB 3.94Å; L370-K374 HydrophobicContact CG-CG 4.13Å; S371-K374 PolarHBondContact O-N 3.06Å; K374-E377 WeakPolarHBondContact CD-OE2 3.45Å; K374-E377 WeakPolarHBondContact CE-OE2 3.32Å; K374-E377 IonicContact NZ-OE1 2.91Å; K374-E377 PolarHBondContact NZ-OE1 2.65Å; K374-E377 IonicContact NZ-OE2 3.49Å; K374-E377 PolarHBondContact NZ-OE2 3.02Å; K374-E377 PolarHBondContact O-N 3.24Å; K374-I378 HydrophobicContact CG-CD1 4.15Å; K374-I378 WeakPolarHBondContact O-CD1 3.42Å; K374-I378 WeakPolarHBondContact O-CG1 3.24Å; K374-I378 PolarHBondContact O-N 3.37Å
375R77.7Confident72.3Confident52 Ų5273.2 Ų73.220%0.19641%0.406CS..Hα-helixtrans-56.4-49.9172.3-177.9-167.6168.5770.4111.5L370 S371 Q372 S373 E377 I378 L379 D537 L540L370-R375 VanDerWaalsContact CD2-CA 3.46Å; L370-R375 HydrophobicContact CD2-CB 3.92Å; S371-R375 PolarHBondContact O-N 3.28Å; Q372-R375 WeakPolarHBondContact O-CB 3.29Å; S373-R375 VanDerWaalsContact C-N 3.3Å; S373-R375 PolarHBondContact O-N 3.37Å; R375-E377 VanDerWaalsContact C-N 3.34Å; R375-I378 PolarHBondContact O-N 3.28Å; R375-L379 HydrophobicContact CG-CD1 4.16Å; R375-L379 WeakPolarHBondContact O-CG 3.25Å; R375-L379 PolarHBondContact O-N 2.96Å; R375-D537 IonicContact CZ-OD1 2.71Å; R375-D537 IonicContact CZ-OD2 2.66Å; R375-D537 IonicContact NH1-OD1 2.65Å; R375-D537 PolarHBondContact NH1-OD1 3.46Å; R375-D537 IonicContact NH1-OD2 2.9Å; R375-D537 PolarHBondContact NH1-OD2 2.99Å; R375-L540 HydrophobicContact CG-CD1 3.78Å; R375-L540 VanDerWaalsContact NH1-CD1 3.28Å
376N76.3Confident73.2Confident81 Ų8169.7 Ų69.743%0.43338%0.384SS..Hα-helixtrans-67.1-36.3-179.4-69.6-14.4000112.2Q372 S373 L379 A380Q372-N376 PolarHBondContact O-N 2.95Å; Q372-N376 VanDerWaalsContact O-N 3.14Å; S373-N376 PolarHBondContact O-N 3.46Å; N376-L379 PolarHBondContact O-N 3Å; N376-A380 WeakPolarHBondContact O-CB 3.49Å; N376-A380 PolarHBondContact O-N 3.37Å
377E81.7Confident74Confident108 Ų10867.3 Ų67.351%0.50537%0.37SS..Hα-helixtrans-62.5-45.6175.2-170-167.9151.300111.7S373 K374 R375 A380 S381S373-E377 PolarHBondContact O-N 3.3Å; K374-E377 WeakPolarHBondContact CD-OE2 3.45Å; K374-E377 WeakPolarHBondContact CE-OE2 3.32Å; K374-E377 IonicContact NZ-OE1 2.91Å; K374-E377 PolarHBondContact NZ-OE1 2.65Å; K374-E377 IonicContact NZ-OE2 3.49Å; K374-E377 PolarHBondContact NZ-OE2 3.02Å; K374-E377 PolarHBondContact O-N 3.24Å; R375-E377 VanDerWaalsContact C-N 3.34Å; E377-A380 PolarHBondContact O-N 3.32Å; E377-S381 PolarHBondContact O-N 3.45Å
378I79.3Confident74.4Confident1 Ų168.4 Ų68.41%0.00538%0.383CS..Hα-helixtrans-65-44.9177.1-69.9157.4000110.7L370 K374 R375 A380 S381 M382 L540 Y543 Q544L370-I378 HydrophobicContact CD1-CD1 4.22Å; L370-I378 HydrophobicContact CD2-CD1 3.47Å; L370-I378 VanDerWaalsContact CD2-CD1 3.47Å; L370-I378 HydrophobicContact CG-CD1 4.45Å; K374-I378 HydrophobicContact CG-CD1 4.15Å; K374-I378 WeakPolarHBondContact O-CD1 3.42Å; K374-I378 WeakPolarHBondContact O-CG1 3.24Å; K374-I378 PolarHBondContact O-N 3.37Å; R375-I378 PolarHBondContact O-N 3.28Å; I378-A380 VanDerWaalsContact C-N 3.3Å; I378-A380 PolarHBondContact O-N 3.45Å; I378-S381 WeakPolarHBondContact O-CB 3.46Å; I378-S381 PolarHBondContact O-N 3.02Å; I378-S381 VanDerWaalsContact O-N 3.16Å; I378-M382 HydrophobicContact CG2-CG 4.23Å; I378-M382 HydrophobicContact CG2-SD 3.77Å; I378-M382 VanDerWaalsContact O-CG 3.25Å; I378-M382 WeakPolarHBondContact O-CG 3.41Å; I378-M382 PolarHBondContact O-N 2.69Å; I378-L540 HydrophobicContact CG2-CB 4.25Å; I378-L540 HydrophobicContact CG2-CD2 3.91Å; I378-Y543 HydrophobicContact CG2-CD1 3.68Å; I378-Y543 HydrophobicContact CG2-CE1 4.34Å; I378-Y543 HydrophobicContact CG2-CG 4.31Å; I378-Q544 HydrophobicContact CD1-CB 3.71Å; I378-Q544 HydrophobicContact CD1-CG 4.03Å; I378-Q544 VanDerWaalsContact CD1-OE1 3.28Å; I378-Q544 HydrophobicContact CG1-CB 4.37Å
379L79.1Confident74.6Confident7 Ų764.7 Ų64.74%0.03736%0.361CS..Hα-helixtrans-59.5-40.8176.7-74.5171000111.9R375 N376 M382 Q383 L439 L540R375-L379 HydrophobicContact CG-CD1 4.16Å; R375-L379 WeakPolarHBondContact O-CG 3.25Å; R375-L379 PolarHBondContact O-N 2.96Å; N376-L379 PolarHBondContact O-N 3Å; L379-M382 PolarHBondContact O-N 3.36Å; L379-Q383 WeakPolarHBondContact O-CB 3.39Å; L379-Q383 PolarHBondContact O-N 2.99Å; L379-L439 HydrophobicContact CD1-CD2 4.26Å; L379-L540 HydrophobicContact CD2-CD2 3.82Å; L379-L540 HydrophobicContact CG-CD1 4.48Å; L379-L540 HydrophobicContact CG-CD2 4.28Å
380A79.7Confident74.8Confident54 Ų5463.8 Ų63.845%0.44635%0.346SS..Hα-helixtrans-63.9-42.8175.300000111.9N376 E377 I378 M382 Q383 E384N376-A380 WeakPolarHBondContact O-CB 3.49Å; N376-A380 PolarHBondContact O-N 3.37Å; E377-A380 PolarHBondContact O-N 3.32Å; I378-A380 VanDerWaalsContact C-N 3.3Å; I378-A380 PolarHBondContact O-N 3.45Å; A380-M382 PolarHBondContact O-N 3.37Å; A380-Q383 WeakPolarHBondContact O-CB 3.28Å; A380-Q383 PolarHBondContact O-N 3.04Å; A380-E384 PolarHBondContact O-N 3.45Å
381S80.2Confident74.6Confident35 Ų3565.5 Ų65.525%0.24536%0.356CS..Hα-helixtrans-62.6-41174.8176.40000112.3E377 I378 Q383 E384 M385E377-S381 PolarHBondContact O-N 3.45Å; I378-S381 WeakPolarHBondContact O-CB 3.46Å; I378-S381 PolarHBondContact O-N 3.02Å; I378-S381 VanDerWaalsContact O-N 3.16Å; S381-Q383 VanDerWaalsContact C-N 3.3Å; S381-Q383 PolarHBondContact O-N 3.29Å; S381-E384 PolarHBondContact O-N 3.48Å; S381-M385 WeakPolarHBondContact O-CB 3.35Å; S381-M385 PolarHBondContact O-N 3.16Å
382M80.6Confident73.9Confident1 Ų164.9 Ų64.91%0.00536%0.355CS..Hα-helixtrans-64.7-37.5175-66.7170.681.300111.2I378 L379 A380 M385 L386 M438 Q444 A447 L540 Y543I378-M382 HydrophobicContact CG2-CG 4.23Å; I378-M382 HydrophobicContact CG2-SD 3.77Å; I378-M382 VanDerWaalsContact O-CG 3.25Å; I378-M382 WeakPolarHBondContact O-CG 3.41Å; I378-M382 PolarHBondContact O-N 2.69Å; L379-M382 PolarHBondContact O-N 3.36Å; A380-M382 PolarHBondContact O-N 3.37Å; M382-M385 PolarHBondContact O-N 2.69Å; M382-L386 PolarHBondContact O-N 2.78Å; M382-M438 VanDerWaalsContact C-CE 3.41Å; M382-M438 HydrophobicContact CB-CE 3.68Å; M382-Q444 VanDerWaalsContact CE-CA 3.41Å; M382-Q444 HydrophobicContact CE-CB 3.76Å; M382-Q444 HydrophobicContact CE-CG 3.89Å; M382-Q444 WeakPolarHBondContact CE-O 3.4Å; M382-A447 HydrophobicContact CB-CB 4.17Å; M382-A447 HydrophobicContact CE-CB 3.44Å; M382-A447 VanDerWaalsContact CE-CB 3.44Å; M382-A447 HydrophobicContact CG-CB 4.27Å; M382-L540 HydrophobicContact CE-CD2 4.23Å; M382-L540 HydrophobicContact SD-CD2 3.39Å; M382-L540 WeakPolarHBondContact SD-CD2 3.23Å; M382-Y543 HydrophobicContact CE-CD2 4.16Å; M382-Y543 HydrophobicContact CG-CD1 3.85Å; M382-Y543 HydrophobicContact CG-CD2 3.84Å; M382-Y543 HydrophobicContact CG-CE1 3.53Å; M382-Y543 HydrophobicContact CG-CE2 3.58Å; M382-Y543 HydrophobicContact CG-CG 3.98Å; M382-Y543 VanDerWaalsContact CG-CZ 3.4Å; M382-Y543 HydrophobicContact SD-CD1 4.37Å; M382-Y543 HydrophobicContact SD-CD2 4.28Å; M382-Y543 HydrophobicContact SD-CG 4.18Å
383Q76.7Confident73Confident64 Ų6465.5 Ų65.530%0.29935%0.351SS..Hα-helixtrans-61.9-47.7176.7-167.6179.4-7.700110.7L379 A380 S381 M385 L386 L387 M438L379-Q383 WeakPolarHBondContact O-CB 3.39Å; L379-Q383 PolarHBondContact O-N 2.99Å; A380-Q383 WeakPolarHBondContact O-CB 3.28Å; A380-Q383 PolarHBondContact O-N 3.04Å; S381-Q383 VanDerWaalsContact C-N 3.3Å; S381-Q383 PolarHBondContact O-N 3.29Å; Q383-M385 VanDerWaalsContact C-N 3.33Å; Q383-M385 PolarHBondContact O-N 3.43Å; Q383-L386 PolarHBondContact O-N 3.04Å; Q383-L387 WeakPolarHBondContact O-CB 3.28Å; Q383-L387 PolarHBondContact O-N 3.47Å; Q383-M438 VanDerWaalsContact CA-CE 3.49Å; Q383-M438 VanDerWaalsContact CA-SD 3.5Å; Q383-M438 HydrophobicContact CB-CE 4.15Å; Q383-M438 HydrophobicContact CB-SD 3.43Å; Q383-M438 WeakPolarHBondContact CB-SD 3.5Å; Q383-M438 HydrophobicContact CG-SD 3.89Å; Q383-M438 VanDerWaalsContact N-CE 3.32Å
384E76.7Confident72.2Confident134 Ų13462.8 Ų62.863%0.62634%0.335SS*.Hα-helixtrans-59.5-45.3177.4-173.2174.8-168.700111.1A380 S381 L387 V388A380-E384 PolarHBondContact O-N 3.45Å; S381-E384 PolarHBondContact O-N 3.48Å; E384-L387 PolarHBondContact O-N 3.2Å; E384-V388 VanDerWaalsContact O-CG2 3.3Å; E384-V388 WeakPolarHBondContact O-CG2 3.13Å; E384-V388 PolarHBondContact O-N 2.88Å
385M74.9Confident71.3Confident29 Ų2964.7 Ų64.714%0.14335%0.347CS..Hα-helixtrans-61.3-46.5178.1-91.1-71-59.300114.1S381 M382 Q383 T389 Q450 L451 Q454 Y543S381-M385 WeakPolarHBondContact O-CB 3.35Å; S381-M385 PolarHBondContact O-N 3.16Å; M382-M385 PolarHBondContact O-N 2.69Å; Q383-M385 VanDerWaalsContact C-N 3.33Å; Q383-M385 PolarHBondContact O-N 3.43Å; M385-T389 PolarHBondContact O-N 3.04Å; M385-T389 PolarHBondContact O-OG1 3Å; M385-Q450 HydrophobicContact CE-CG 3.96Å; M385-L451 HydrophobicContact CE-CB 4.36Å; M385-L451 HydrophobicContact CE-CD1 4.46Å; M385-Q454 HydrophobicContact CE-CG 4.38Å; M385-Q454 PolarHBondContact SD-OE1 3.27Å; M385-Y543 WeakPolarHBondContact CG-OH 3.45Å
386L72.7Confident70.2Confident30 Ų3065.9 Ų65.916%0.15736%0.355CS..Hα-helixtrans-69.1-38.8176-70.3-174.8000111.3M382 Q383 V388 T389 D390 M438 V443 A447M382-L386 PolarHBondContact O-N 2.78Å; Q383-L386 PolarHBondContact O-N 3.04Å; L386-V388 PolarHBondContact O-N 3.44Å; L386-T389 PolarHBondContact O-N 2.85Å; L386-T389 VanDerWaalsContact O-N 3.17Å; L386-D390 WeakPolarHBondContact O-CB 3.33Å; L386-D390 PolarHBondContact O-N 3.42Å; L386-M438 HydrophobicContact CD1-CE 3.75Å; L386-M438 HydrophobicContact CG-CE 4.41Å; L386-V443 HydrophobicContact CD1-CG1 3.38Å; L386-A447 HydrophobicContact CD1-CB 4.09Å; L386-A447 HydrophobicContact CD2-CB 4.08Å; L386-A447 HydrophobicContact CG-CB 3.98Å
387L71.7Confident69.2Low90 Ų9064 Ų6447%0.47135%0.347SS..Hα-helixtrans-63.3-40.9177.6-167.293.4000111.9Q383 E384 T389 D390 N391Q383-L387 WeakPolarHBondContact O-CB 3.28Å; Q383-L387 PolarHBondContact O-N 3.47Å; E384-L387 PolarHBondContact O-N 3.2Å; L387-T389 VanDerWaalsContact C-N 3.29Å; L387-T389 PolarHBondContact O-N 3.16Å; L387-D390 PolarHBondContact O-N 3.19Å; L387-N391 WeakPolarHBondContact O-CB 3.28Å; L387-N391 PolarHBondContact O-N 3.33Å; L387-N391 PolarHBondContact O-ND2 2.93Å
388V68.5Low67.9Low83 Ų8365.2 Ų65.250%0.50335%0.354SS..Hα-helixtrans-62.4-40.8175.1170.50000110.5E384 L386 N391 A392E384-V388 VanDerWaalsContact O-CG2 3.3Å; E384-V388 WeakPolarHBondContact O-CG2 3.13Å; E384-V388 PolarHBondContact O-N 2.88Å; L386-V388 PolarHBondContact O-N 3.44Å; V388-N391 PolarHBondContact O-N 2.81Å; V388-A392 WeakPolarHBondContact O-CB 3.44Å; V388-A392 PolarHBondContact O-N 2.96Å
389T65Low66.7Low44 Ų4469.7 Ų69.727%0.2738%0.378SS..Hα-helixtrans-68.4-44.7178.7-49.40000111.4M385 L386 L387 N391 A392 Y393 Q450M385-T389 PolarHBondContact O-N 3.04Å; M385-T389 PolarHBondContact O-OG1 3Å; L386-T389 PolarHBondContact O-N 2.85Å; L386-T389 VanDerWaalsContact O-N 3.17Å; L387-T389 VanDerWaalsContact C-N 3.29Å; L387-T389 PolarHBondContact O-N 3.16Å; T389-N391 VanDerWaalsContact C-N 3.34Å; T389-A392 PolarHBondContact O-N 2.84Å; T389-Y393 PolarHBondContact O-N 3.15Å; T389-Q450 PolarHBondContact OG1-NE2 3.33Å
390D64.8Low65.7Low103 Ų10373.3 Ų73.355%0.55140%0.396SS*.Hα-helixtrans-65.2-37.3174.9-78-13.2000111.5L386 L387 Y393 A394L386-D390 WeakPolarHBondContact O-CB 3.33Å; L386-D390 PolarHBondContact O-N 3.42Å; L387-D390 PolarHBondContact O-N 3.19Å; D390-Y393 CarbonylContact O-C 3.58Å; D390-Y393 PolarHBondContact O-N 2.72Å; D390-A394 WeakPolarHBondContact O-CA 3.39Å; D390-A394 WeakPolarHBondContact O-CB 3.18Å; D390-A394 PolarHBondContact O-N 3.48Å
391N62.7Low64.3Low77 Ų7773.8 Ų73.841%0.41239%0.392SS..Hα-helixtrans-67.7-41.2175-80.6-22.2000111.1L387 V388 T389 Y393 A394 I395L387-N391 WeakPolarHBondContact O-CB 3.28Å; L387-N391 PolarHBondContact O-N 3.33Å; L387-N391 PolarHBondContact O-ND2 2.93Å; V388-N391 PolarHBondContact O-N 2.81Å; T389-N391 VanDerWaalsContact C-N 3.34Å; N391-Y393 VanDerWaalsContact C-N 3.33Å; N391-A394 CarbonylContact O-C 3.57Å; N391-A394 PolarHBondContact O-N 3.06Å; N391-I395 WeakPolarHBondContact O-CB 3.32Å; N391-I395 WeakPolarHBondContact O-CD1 3.39Å; N391-I395 WeakPolarHBondContact O-CG1 3.43Å; N391-I395 PolarHBondContact O-N 3.47Å
392A57.7Low62.9Low61 Ų6174.3 Ų74.350%0.50440%0.395SS..Hα-helixtrans-60.8-45.7173.300000110.6V388 T389 A394 I395 H396V388-A392 WeakPolarHBondContact O-CB 3.44Å; V388-A392 PolarHBondContact O-N 2.96Å; T389-A392 PolarHBondContact O-N 2.84Å; A392-A394 PolarHBondContact O-N 3.01Å; A392-I395 PolarHBondContact O-N 2.97Å; A392-H396 VanDerWaalsContact O-CB 3.31Å; A392-H396 WeakPolarHBondContact O-CB 3.26Å; A392-H396 PolarHBondContact O-N 2.98Å
393Y58.3Low61.5Low166 Ų16677.5 Ų77.565%0.65141%0.412SS*.Hα-helixtrans-63.3-40.3174.2-169.2-96.3000112T389 D390 N391 H396 T397T389-Y393 PolarHBondContact O-N 3.15Å; D390-Y393 CarbonylContact O-C 3.58Å; D390-Y393 PolarHBondContact O-N 2.72Å; N391-Y393 VanDerWaalsContact C-N 3.33Å; Y393-H396 WeakPolarHBondContact O-CB 3.43Å; Y393-H396 PolarHBondContact O-N 3.46Å; Y393-T397 WeakPolarHBondContact O-CB 3.42Å; Y393-T397 PolarHBondContact O-N 2.81Å; Y393-T397 PolarHBondContact O-OG1 3.14Å
394A56.3Low60.1Low38 Ų3879.6 Ų79.631%0.31442%0.42SS..Hα-helixtrans-70.7-38.8179.900000111.9D390 N391 A392 T397 M398D390-A394 WeakPolarHBondContact O-CA 3.39Å; D390-A394 WeakPolarHBondContact O-CB 3.18Å; D390-A394 PolarHBondContact O-N 3.48Å; N391-A394 CarbonylContact O-C 3.57Å; N391-A394 PolarHBondContact O-N 3.06Å; A392-A394 PolarHBondContact O-N 3.01Å; A394-T397 CarbonylContact O-C 3.54Å; A394-T397 PolarHBondContact O-N 3.15Å; A394-M398 WeakPolarHBondContact O-CA 3.43Å; A394-M398 WeakPolarHBondContact O-CB 3.25Å; A394-M398 VanDerWaalsContact O-CG 3.3Å; A394-M398 WeakPolarHBondContact O-CG 3.29Å; A394-M398 PolarHBondContact O-N 3.06Å
395I56.6Low58.3Low100 Ų10078.2 Ų78.251%0.51342%0.416SS..Hα-helixtrans-63.7-46.4172.2-70.5163.9000109.1N391 A392 T397 M398 N399N391-I395 WeakPolarHBondContact O-CB 3.32Å; N391-I395 WeakPolarHBondContact O-CD1 3.39Å; N391-I395 WeakPolarHBondContact O-CG1 3.43Å; N391-I395 PolarHBondContact O-N 3.47Å; A392-I395 PolarHBondContact O-N 2.97Å; I395-T397 VanDerWaalsContact C-N 3.3Å; I395-T397 PolarHBondContact O-N 3.33Å; I395-M398 CarbonylContact O-C 3.56Å; I395-M398 PolarHBondContact O-N 3.38Å; I395-N399 WeakPolarHBondContact O-CB 3.37Å; I395-N399 PolarHBondContact O-N 2.67Å; I395-N399 PolarHBondContact O-ND2 3.31Å
396H54.2Low56.7Low77 Ų7784.7 Ų84.736%0.35645%0.446SS..Hα-helixtrans-57.3-44.6173.8173.1-90.2000111.3A392 Y393 N399 L400A392-H396 VanDerWaalsContact O-CB 3.31Å; A392-H396 WeakPolarHBondContact O-CB 3.26Å; A392-H396 PolarHBondContact O-N 2.98Å; Y393-H396 WeakPolarHBondContact O-CB 3.43Å; Y393-H396 PolarHBondContact O-N 3.46Å; H396-N399 PolarHBondContact O-N 2.94Å; H396-L400 VanDerWaalsContact CE1-CD1 3.48Å; H396-L400 WeakPolarHBondContact CE1-CD1 2.84Å; H396-L400 WeakPolarHBondContact O-CG 3.33Å; H396-L400 PolarHBondContact O-N 2.99Å
397T55.6Low55.6Low43 Ų4387.5 Ų87.526%0.26447%0.468SS..Hα-helixtrans-71.6-34.8178.6-42.90000112.3Y393 A394 I395 L400 N401Y393-T397 WeakPolarHBondContact O-CB 3.42Å; Y393-T397 PolarHBondContact O-N 2.81Å; Y393-T397 PolarHBondContact O-OG1 3.14Å; A394-T397 CarbonylContact O-C 3.54Å; A394-T397 PolarHBondContact O-N 3.15Å; I395-T397 VanDerWaalsContact C-N 3.3Å; I395-T397 PolarHBondContact O-N 3.33Å; T397-L400 WeakPolarHBondContact O-CB 3.38Å; T397-L400 PolarHBondContact O-N 3.09Å; T397-N401 VanDerWaalsContact O-CB 3.3Å; T397-N401 WeakPolarHBondContact O-CB 3.29Å; T397-N401 VanDerWaalsContact O-CG 3.24Å; T397-N401 PolarHBondContact O-N 3.25Å; T397-N401 PolarHBondContact O-ND2 3.04Å
398M54.5Low54Low133 Ų13390.2 Ų90.266%0.65548%0.482SS*.Hα-helixtrans-68.7-40.7175-86.6-170.5173.400110.4A394 I395 L400 N401 S402A394-M398 WeakPolarHBondContact O-CA 3.43Å; A394-M398 WeakPolarHBondContact O-CB 3.25Å; A394-M398 VanDerWaalsContact O-CG 3.3Å; A394-M398 WeakPolarHBondContact O-CG 3.29Å; A394-M398 PolarHBondContact O-N 3.06Å; I395-M398 CarbonylContact O-C 3.56Å; I395-M398 PolarHBondContact O-N 3.38Å; M398-L400 VanDerWaalsContact C-N 3.3Å; M398-L400 PolarHBondContact O-N 3.16Å; M398-N401 CarbonylContact O-C 3.6Å; M398-N401 PolarHBondContact O-N 2.77Å; M398-N401 VanDerWaalsContact O-N 3.12Å; M398-S402 WeakPolarHBondContact O-CA 3.49Å; M398-S402 VanDerWaalsContact O-CB 3.24Å; M398-S402 WeakPolarHBondContact O-CB 3.48Å; M398-S402 PolarHBondContact O-N 2.76Å; M398-S402 PolarHBondContact O-OG 3.17Å
399N55.4Low52.4Low95 Ų9590.3 Ų90.351%0.50849%0.486SS..Hα-helixtrans-63.7-39.2173.4-70.7-17.9000110.7I395 H396 N401 S402 I403I395-N399 WeakPolarHBondContact O-CB 3.37Å; I395-N399 PolarHBondContact O-N 2.67Å; I395-N399 PolarHBondContact O-ND2 3.31Å; H396-N399 PolarHBondContact O-N 2.94Å; N399-N401 VanDerWaalsContact C-N 3.31Å; N399-N401 PolarHBondContact O-N 3.2Å; N399-S402 WeakPolarHBondContact CA-OG 3.31Å; N399-S402 PolarHBondContact O-OG 2.72Å; N399-S402 VanDerWaalsContact O-OG 3.07Å; N399-I403 WeakPolarHBondContact O-CD1 3.35Å; N399-I403 VanDerWaalsContact O-CG1 3.31Å; N399-I403 WeakPolarHBondContact O-CG1 3.38Å; N399-I403 PolarHBondContact O-N 3.31Å
400L57.1Low50.9Low82 Ų8295.1 Ų95.143%0.42951%0.511SS..Hα-helixtrans-64.9-33.4171.8-74.1171.2000113.4H396 T397 M398H396-L400 VanDerWaalsContact CE1-CD1 3.48Å; H396-L400 WeakPolarHBondContact CE1-CD1 2.84Å; H396-L400 WeakPolarHBondContact O-CG 3.33Å; H396-L400 PolarHBondContact O-N 2.99Å; T397-L400 WeakPolarHBondContact O-CB 3.38Å; T397-L400 PolarHBondContact O-N 3.09Å; M398-L400 VanDerWaalsContact C-N 3.3Å; M398-L400 PolarHBondContact O-N 3.16Å
401N49.8Very low49.6Very low65 Ų6598.3 Ų98.335%0.34853%0.527SS..Hα-helixtrans-90.5-27.4-177.9-73.8-26.3000113.1T397 M398 N399 I403 K404 L405T397-N401 VanDerWaalsContact O-CB 3.3Å; T397-N401 WeakPolarHBondContact O-CB 3.29Å; T397-N401 VanDerWaalsContact O-CG 3.24Å; T397-N401 PolarHBondContact O-N 3.25Å; T397-N401 PolarHBondContact O-ND2 3.04Å; M398-N401 CarbonylContact O-C 3.6Å; M398-N401 PolarHBondContact O-N 2.77Å; M398-N401 VanDerWaalsContact O-N 3.12Å; N399-N401 VanDerWaalsContact C-N 3.31Å; N399-N401 PolarHBondContact O-N 3.2Å; N401-I403 VanDerWaalsContact C-N 3.3Å; N401-K404 CarbonylContact O-C 3.54Å; N401-K404 WeakPolarHBondContact O-CA 3.23Å; N401-K404 WeakPolarHBondContact O-CB 3.11Å; N401-K404 PolarHBondContact O-N 3.36Å; N401-K404 PolarHBondContact OD1-NZ 2.72Å; N401-L405 WeakPolarHBondContact O-CB 3.37Å; N401-L405 PolarHBondContact O-N 2.96Å
402S51.4Low48.3Very low46 Ų46102.7 Ų102.732%0.32255%0.546SS..Hα-helixtrans-67.1-36.5175.364.10000109.8M398 N399 K404 L405 H406M398-S402 WeakPolarHBondContact O-CA 3.49Å; M398-S402 VanDerWaalsContact O-CB 3.24Å; M398-S402 WeakPolarHBondContact O-CB 3.48Å; M398-S402 PolarHBondContact O-N 2.76Å; M398-S402 PolarHBondContact O-OG 3.17Å; N399-S402 WeakPolarHBondContact CA-OG 3.31Å; N399-S402 PolarHBondContact O-OG 2.72Å; N399-S402 VanDerWaalsContact O-OG 3.07Å; S402-K404 PolarHBondContact O-N 3.21Å; S402-L405 PolarHBondContact O-N 3.27Å; S402-L405 VanDerWaalsContact O-N 3.13Å; S402-H406 WeakPolarHBondContact O-CB 3.49Å; S402-H406 PolarHBondContact O-CD2 2.94Å; S402-H406 PolarHBondContact O-N 3.22Å
403I50.7Low47.4Very low68 Ų68105 Ų10535%0.34955%0.55SS..Hα-helixtrans-58.3-36.6167.8-64.7167.9000110.9N399 N401N399-I403 WeakPolarHBondContact O-CD1 3.35Å; N399-I403 VanDerWaalsContact O-CG1 3.31Å; N399-I403 WeakPolarHBondContact O-CG1 3.38Å; N399-I403 PolarHBondContact O-N 3.31Å; N401-I403 VanDerWaalsContact C-N 3.3Å
404K48.7Very low46.4Very low107 Ų107106.8 Ų106.847%0.46556%0.561SS.*Hα-helixtrans-77.8-31.7174.4-62.3174.3-171.8161.10113.4N401 S402 S407N401-K404 CarbonylContact O-C 3.54Å; N401-K404 WeakPolarHBondContact O-CA 3.23Å; N401-K404 WeakPolarHBondContact O-CB 3.11Å; N401-K404 PolarHBondContact O-N 3.36Å; N401-K404 PolarHBondContact OD1-NZ 2.72Å; S402-K404 PolarHBondContact O-N 3.21Å; K404-S407 WeakPolarHBondContact O-CB 3.3Å; K404-S407 PolarHBondContact O-N 3.13Å; K404-S407 PolarHBondContact O-OG 3.18Å
405L38.8Very low45.7Very low105 Ų105110.7 Ų110.755%0.5558%0.581SS.*Hα-helixtrans-85.5-27.4-174.3-109.2152.7000112.6N401 S402 S407 L408 S409N401-L405 WeakPolarHBondContact O-CB 3.37Å; N401-L405 PolarHBondContact O-N 2.96Å; S402-L405 PolarHBondContact O-N 3.27Å; S402-L405 VanDerWaalsContact O-N 3.13Å; L405-S407 PolarHBondContact O-N 3.17Å; L405-S407 VanDerWaalsContact O-N 3.15Å; L405-L408 CarbonylContact O-C 3.35Å; L405-L408 PolarHBondContact O-N 3.42Å; L405-S409 WeakPolarHBondContact O-CB 3.31Å; L405-S409 PolarHBondContact O-N 3.07Å
406H41Very low45.4Very low166 Ų166111.1 Ų111.177%0.76959%0.593SS**THydrogen-bonded Turntrans-58.2-23.5167-91.5-70.8000111.8S402 L408S402-H406 WeakPolarHBondContact O-CB 3.49Å; S402-H406 PolarHBondContact O-CD2 2.94Å; S402-H406 PolarHBondContact O-N 3.22Å; H406-L408 VanDerWaalsContact C-N 3.33Å
407S48.3Very low45.5Very low89 Ų89114.4 Ų114.462%0.62261%0.608SS**THydrogen-bonded Turntrans-76.5-13.8171.6-38.80000114.4K404 L405K404-S407 WeakPolarHBondContact O-CB 3.3Å; K404-S407 PolarHBondContact O-N 3.13Å; K404-S407 PolarHBondContact O-OG 3.18Å; L405-S407 PolarHBondContact O-N 3.17Å; L405-S407 VanDerWaalsContact O-N 3.15Å
408L39.7Very low45.7Very low146 Ų146120.3 Ų120.376%0.76463%0.627SS**THydrogen-bonded Turntrans-134.4-3.4-169-68.9170.9000115.5L405 H406 N410L405-L408 CarbonylContact O-C 3.35Å; L405-L408 PolarHBondContact O-N 3.42Å; H406-L408 VanDerWaalsContact C-N 3.33Å; L408-N410 PolarHBondContact O-N 2.89Å
409S33.6Very low45.9Very low85 Ų85116.8 Ų116.859%0.59461%0.613SS**  trans-84.275-176.7174.40000112.9L405L405-S409 WeakPolarHBondContact O-CB 3.31Å; L405-S409 PolarHBondContact O-N 3.07Å
410N33Very low46.1Very low146 Ų146118.8 Ų118.878%0.78162%0.619SS**  trans-125.899.5149.9-85.1-19.6000106.3L408L408-N410 PolarHBondContact O-N 2.89Å
411N37.6Very low46.7Very low169 Ų169120.9 Ų120.990%0.90463%0.626SS**  trans177.895.6145.5-84.6-25.1000108.9
412Q36.5Very low47.5Very low170 Ų170121.7 Ų121.779%0.79463%0.63SS**  trans-82.7143.3174.5-97-176.3-64.500111.4
413D38.8Very low48.1Very low110 Ų110123.1 Ų123.159%0.58863%0.634SS**  trans60.3113.4134.9-56.7-26.8000118.6
414F36.1Very low49Very low203 Ų203122.1 Ų122.189%0.8964%0.635SS**  172.9105.6116.1-91.7-71000107.3
415T43.5Very low50.1Low119 Ų119121.7 Ų121.773%0.7364%0.639SS**  trans-164.4100.7147.716.20000111
416S49Very low51.2Low110 Ų110122.8 Ų122.877%0.76964%0.639SS**  trans-66.9140.3179.2-175.60000112.1Y418S416-Y418 VanDerWaalsContact C-N 3.34Å; S416-Y418 PolarHBondContact O-N 3.04Å
417E56.9Low52.4Low145 Ų145123.1 Ų123.168%0.67863%0.633SS**SBendtrans66.1-52.7163.1-151170.9-16700118.8V419 Q420 Q421E417-V419 VanDerWaalsContact C-N 3.3Å; E417-V419 PolarHBondContact O-N 3.22Å; E417-Q420 WeakPolarHBondContact O-CA 3.46Å; E417-Q420 WeakPolarHBondContact O-CB 3.4Å; E417-Q420 PolarHBondContact O-N 3.12Å; E417-Q421 PolarHBondContact O-N 2.7Å
418Y60.4Low53.4Low168 Ų168121 Ų12166%0.65962%0.622SS**Hα-helixtrans-62.9-39.9178.6-178.6-109.7000111.7S416 Q420 Q421 I422S416-Y418 VanDerWaalsContact C-N 3.34Å; S416-Y418 PolarHBondContact O-N 3.04Å; Y418-Q420 VanDerWaalsContact C-N 3.32Å; Y418-Q420 PolarHBondContact O-N 3.25Å; Y418-Q421 PolarHBondContact O-N 3.07Å; Y418-I422 HydrophobicContact CD1-CD1 3.79Å; Y418-I422 HydrophobicContact CE1-CD1 3.26Å; Y418-I422 HydrophobicContact CE1-CG1 4.27Å; Y418-I422 HydrophobicContact CE2-CD1 4.32Å; Y418-I422 WeakPolarHBondContact O-CG1 3.43Å; Y418-I422 PolarHBondContact O-N 3.21Å
419V57.9Low54.6Low58 Ų58119 Ų11935%0.35261%0.612SS.*Hα-helixtrans-63.7-40.4173.6178.10000110.3E417 Q421 I422 L423E417-V419 VanDerWaalsContact C-N 3.3Å; E417-V419 PolarHBondContact O-N 3.22Å; V419-Q421 VanDerWaalsContact C-N 3.33Å; V419-Q421 PolarHBondContact O-N 3.19Å; V419-I422 PolarHBondContact O-N 3.13Å; V419-L423 HydrophobicContact CG1-CD1 3.83Å; V419-L423 HydrophobicContact CG1-CG 4.2Å; V419-L423 WeakPolarHBondContact O-CB 3.49Å; V419-L423 WeakPolarHBondContact O-CG 3.23Å; V419-L423 PolarHBondContact O-N 2.9Å
420Q59.4Low55.9Low137 Ų137119.9 Ų119.964%0.6461%0.606SS**Hα-helixtrans-63.2-39.2176.8-73-174.6-16.600112.1E417 Y418 L423 A424E417-Q420 WeakPolarHBondContact O-CA 3.46Å; E417-Q420 WeakPolarHBondContact O-CB 3.4Å; E417-Q420 PolarHBondContact O-N 3.12Å; Y418-Q420 VanDerWaalsContact C-N 3.32Å; Y418-Q420 PolarHBondContact O-N 3.25Å; Q420-L423 PolarHBondContact O-N 3.31Å; Q420-A424 WeakPolarHBondContact O-CB 3.44Å; Q420-A424 PolarHBondContact O-N 3.12Å
421Q70.5Confident57.6Low126 Ų126116.7 Ų116.759%0.58959%0.592SS**Hα-helixtrans-69.8-40.6178.7-164.9166.315.900112.3E417 Y418 V419 L423 A424 N425E417-Q421 PolarHBondContact O-N 2.7Å; Y418-Q421 PolarHBondContact O-N 3.07Å; V419-Q421 VanDerWaalsContact C-N 3.33Å; V419-Q421 PolarHBondContact O-N 3.19Å; Q421-L423 VanDerWaalsContact C-N 3.33Å; Q421-A424 PolarHBondContact O-N 3.49Å; Q421-N425 PolarHBondContact O-N 2.91Å
422I65.7Low59Low82 Ų82115.5 Ų115.542%0.42158%0.579SS.*Hα-helixtrans-61.1-44.2171.3-70.3176.4000110.5Y418 V419 A424 N425 K426Y418-I422 HydrophobicContact CD1-CD1 3.79Å; Y418-I422 HydrophobicContact CE1-CD1 3.26Å; Y418-I422 HydrophobicContact CE1-CG1 4.27Å; Y418-I422 HydrophobicContact CE2-CD1 4.32Å; Y418-I422 WeakPolarHBondContact O-CG1 3.43Å; Y418-I422 PolarHBondContact O-N 3.21Å; V419-I422 PolarHBondContact O-N 3.13Å; I422-A424 VanDerWaalsContact C-N 3.31Å; I422-A424 PolarHBondContact O-N 3.41Å; I422-N425 PolarHBondContact O-N 2.81Å; I422-K426 VanDerWaalsContact O-CB 3.24Å; I422-K426 WeakPolarHBondContact O-CB 3.27Å; I422-K426 PolarHBondContact O-N 2.93Å
423L64.2Low60.1Low76 Ų76111.9 Ų111.940%0.39857%0.565SS.*Hα-helixtrans-62.9-38.2176.8-71.2172.1000111.6V419 Q420 Q421 R427V419-L423 HydrophobicContact CG1-CD1 3.83Å; V419-L423 HydrophobicContact CG1-CG 4.2Å; V419-L423 WeakPolarHBondContact O-CB 3.49Å; V419-L423 WeakPolarHBondContact O-CG 3.23Å; V419-L423 PolarHBondContact O-N 2.9Å; Q420-L423 PolarHBondContact O-N 3.31Å; Q421-L423 VanDerWaalsContact C-N 3.33Å; L423-R427 WeakPolarHBondContact O-CB 3.44Å; L423-R427 VanDerWaalsContact O-CG 3.22Å; L423-R427 WeakPolarHBondContact O-CG 3.48Å; L423-R427 PolarHBondContact O-N 2.93Å
424A70Confident61.4Low47 Ų47109.1 Ų109.139%0.38855%0.552SS.*Hα-helixtrans-66.5-47177.400000112.3Q420 Q421 I422 K426 R427 A428Q420-A424 WeakPolarHBondContact O-CB 3.44Å; Q420-A424 PolarHBondContact O-N 3.12Å; Q421-A424 PolarHBondContact O-N 3.49Å; I422-A424 VanDerWaalsContact C-N 3.31Å; I422-A424 PolarHBondContact O-N 3.41Å; A424-K426 VanDerWaalsContact C-N 3.34Å; A424-K426 PolarHBondContact O-N 3.4Å; A424-R427 WeakPolarHBondContact O-CB 3.3Å; A424-R427 PolarHBondContact O-N 3.49Å; A424-A428 PolarHBondContact O-N 3.28Å
425N71.1Confident62.9Low99 Ų99104.1 Ų104.153%0.52953%0.53SS..Hα-helixtrans-61.8-44.8175.5-74.1-10.5000111.1Q421 I422 R427 A428 D429Q421-N425 PolarHBondContact O-N 2.91Å; I422-N425 PolarHBondContact O-N 2.81Å; N425-R427 VanDerWaalsContact C-N 3.29Å; N425-R427 PolarHBondContact O-N 2.85Å; N425-A428 PolarHBondContact O-N 3.34Å; N425-A428 VanDerWaalsContact O-N 3.13Å; N425-D429 PolarHBondContact O-N 3.49Å
426K61.6Low64.1Low128 Ų128102.9 Ų102.956%0.55752%0.519SS*.Hα-helixtrans-61.1-38.3176.7-168.1175.8-177.9-178.40111.8I422 A424 H430I422-K426 VanDerWaalsContact O-CB 3.24Å; I422-K426 WeakPolarHBondContact O-CB 3.27Å; I422-K426 PolarHBondContact O-N 2.93Å; A424-K426 VanDerWaalsContact C-N 3.34Å; A424-K426 PolarHBondContact O-N 3.4Å; K426-H430 VanDerWaalsContact O-CB 3.3Å; K426-H430 WeakPolarHBondContact O-CB 3.36Å; K426-H430 PolarHBondContact O-CD2 2.98Å; K426-H430 PolarHBondContact O-N 3.17Å
427R65.9Low64.8Low172 Ų172101 Ų10165%0.64950%0.5SS*.Hα-helixtrans-63.4-45.6172.9-77.3171.4-169.9160.32.3111.7L423 A424 N425 H430 T431L423-R427 WeakPolarHBondContact O-CB 3.44Å; L423-R427 VanDerWaalsContact O-CG 3.22Å; L423-R427 WeakPolarHBondContact O-CG 3.48Å; L423-R427 PolarHBondContact O-N 2.93Å; A424-R427 WeakPolarHBondContact O-CB 3.3Å; A424-R427 PolarHBondContact O-N 3.49Å; N425-R427 VanDerWaalsContact C-N 3.29Å; N425-R427 PolarHBondContact O-N 2.85Å; R427-H430 CarbonylContact O-C 3.48Å; R427-H430 WeakPolarHBondContact O-CB 3.26Å; R427-H430 PolarHBondContact O-N 3.42Å; R427-T431 PolarHBondContact O-N 3.37Å; R427-T431 PolarHBondContact O-OG1 3.37Å
428A69.1Low65.2Low46 Ų4694.5 Ų94.538%0.3847%0.469SS..Hα-helixtrans-63.2-43.4179.600000112.3A424 N425 T431 K432A424-A428 PolarHBondContact O-N 3.28Å; N425-A428 PolarHBondContact O-N 3.34Å; N425-A428 VanDerWaalsContact O-N 3.13Å; A428-T431 WeakPolarHBondContact CA-OG1 3.37Å; A428-T431 PolarHBondContact O-N 3.26Å; A428-T431 PolarHBondContact O-OG1 3.02Å; A428-K432 PolarHBondContact O-N 3.22Å
429D66.6Low65.6Low104 Ų10490 Ų9056%0.55646%0.456SS*.Hα-helixtrans-65.8-40.8175.1-69.8-22.6000111.1N425 T431 K432 L433N425-D429 PolarHBondContact O-N 3.49Å; D429-T431 VanDerWaalsContact C-N 3.32Å; D429-T431 PolarHBondContact O-N 2.8Å; D429-K432 PolarHBondContact O-N 3.42Å; D429-L433 WeakPolarHBondContact O-CB 3.48Å; D429-L433 PolarHBondContact O-N 3.42Å
430H60.2Low66.4Low102 Ų10291.8 Ų91.847%0.47246%0.461SS..Hα-helixtrans-59.3-41.7170.3-100.1-84.3000111.8K426 R427 K432 L433 T434K426-H430 VanDerWaalsContact O-CB 3.3Å; K426-H430 WeakPolarHBondContact O-CB 3.36Å; K426-H430 PolarHBondContact O-CD2 2.98Å; K426-H430 PolarHBondContact O-N 3.17Å; R427-H430 CarbonylContact O-C 3.48Å; R427-H430 WeakPolarHBondContact O-CB 3.26Å; R427-H430 PolarHBondContact O-N 3.42Å; H430-K432 PolarHBondContact O-N 3.08Å; H430-L433 PolarHBondContact O-N 3.06Å; H430-T434 WeakPolarHBondContact O-CB 3.49Å; H430-T434 PolarHBondContact O-N 3.46Å; H430-T434 PolarHBondContact O-OG1 3.44Å
431T67.7Low67.2Low80 Ų8089 Ų8949%0.49145%0.448SS..Hα-helixtrans-65.2-41.6-179.5-8.80000111.2R427 A428 D429 T434 F435R427-T431 PolarHBondContact O-N 3.37Å; R427-T431 PolarHBondContact O-OG1 3.37Å; A428-T431 WeakPolarHBondContact CA-OG1 3.37Å; A428-T431 PolarHBondContact O-N 3.26Å; A428-T431 PolarHBondContact O-OG1 3.02Å; D429-T431 VanDerWaalsContact C-N 3.32Å; D429-T431 PolarHBondContact O-N 2.8Å; T431-T434 PolarHBondContact O-N 3.31Å; T431-F435 WeakPolarHBondContact O-CB 3.12Å; T431-F435 PolarHBondContact O-N 2.95Å
432K68.7Low67.7Low143 Ų14386.5 Ų86.562%0.62244%0.444SS*.Hα-helixtrans-64.4-43174-75.5179.1-179.6172.70112.1A428 D429 H430 F435 N436A428-K432 PolarHBondContact O-N 3.22Å; D429-K432 PolarHBondContact O-N 3.42Å; H430-K432 PolarHBondContact O-N 3.08Å; K432-F435 PolarHBondContact O-N 3.5Å; K432-N436 PolarHBondContact O-N 2.92Å; K432-N436 PolarHBondContact O-ND2 3.26Å
433L59.7Low68.3Low95 Ų9584.1 Ų84.150%0.49743%0.434SS..Hα-helixtrans-62.5-47.5177.1-175.867.6000110.7D429 H430 F435 N436 L437D429-L433 WeakPolarHBondContact O-CB 3.48Å; D429-L433 PolarHBondContact O-N 3.42Å; H430-L433 PolarHBondContact O-N 3.06Å; L433-F435 VanDerWaalsContact C-N 3.31Å; L433-F435 PolarHBondContact O-N 3.05Å; L433-N436 PolarHBondContact O-N 3.44Å; L433-L437 HydrophobicContact CG-CD1 4.11Å; L433-L437 WeakPolarHBondContact O-CB 3.42Å; L433-L437 VanDerWaalsContact O-CG 3.29Å; L433-L437 WeakPolarHBondContact O-CG 3.48Å; L433-L437 PolarHBondContact O-N 2.9Å
434T64.9Low69.1Low52 Ų5281.1 Ų81.132%0.31942%0.418SS..Hα-helixtrans-57.5-43.6174.8-60.40000111.2H430 T431 L437 M438H430-T434 WeakPolarHBondContact O-CB 3.49Å; H430-T434 PolarHBondContact O-N 3.46Å; H430-T434 PolarHBondContact O-OG1 3.44Å; T431-T434 PolarHBondContact O-N 3.31Å; T434-L437 PolarHBondContact O-N 2.96Å; T434-M438 VanDerWaalsContact O-CG 3.25Å; T434-M438 WeakPolarHBondContact O-CG 3.19Å; T434-M438 PolarHBondContact O-N 2.95Å
435F67.1Low69.7Low97 Ų9781.2 Ų81.243%0.42541%0.409SS..Hα-helixtrans-62.8-43176.3-174.5-93.7000112.5T431 K432 L433 M438 L439T431-F435 WeakPolarHBondContact O-CB 3.12Å; T431-F435 PolarHBondContact O-N 2.95Å; K432-F435 PolarHBondContact O-N 3.5Å; L433-F435 VanDerWaalsContact C-N 3.31Å; L433-F435 PolarHBondContact O-N 3.05Å; F435-M438 WeakPolarHBondContact O-CB 3.25Å; F435-M438 PolarHBondContact O-N 2.66Å; F435-L439 HydrophobicContact CD1-CD1 4.34Å; F435-L439 HydrophobicContact CE1-CD1 4.01Å; F435-L439 HydrophobicContact CE1-CG 4.45Å; F435-L439 PolarHBondContact O-N 3.44Å
436N70.3Confident70.3Confident94 Ų9481.1 Ų81.150%0.50341%0.405SS..Hα-helixtrans-66.3-39.8176.8-70.7-22.4000112K432 L433 M438 L439K432-N436 PolarHBondContact O-N 2.92Å; K432-N436 PolarHBondContact O-ND2 3.26Å; L433-N436 PolarHBondContact O-N 3.44Å; N436-M438 VanDerWaalsContact C-N 3.29Å; N436-M438 PolarHBondContact O-N 2.96Å; N436-L439 WeakPolarHBondContact O-CB 3.35Å; N436-L439 PolarHBondContact O-N 2.76Å; N436-L439 VanDerWaalsContact O-N 3.12Å
437L63Low71.3Confident70 Ų7075 Ų7537%0.36638%0.379SS..Hα-helixtrans-62.3-36.3173.5-71.1169.8000111.3L433 T434 L439 E440 V443L433-L437 HydrophobicContact CG-CD1 4.11Å; L433-L437 WeakPolarHBondContact O-CB 3.42Å; L433-L437 VanDerWaalsContact O-CG 3.29Å; L433-L437 WeakPolarHBondContact O-CG 3.48Å; L433-L437 PolarHBondContact O-N 2.9Å; T434-L437 PolarHBondContact O-N 2.96Å; L437-L439 PolarHBondContact O-N 2.9Å; L437-E440 WeakPolarHBondContact O-CB 3.4Å; L437-E440 WeakPolarHBondContact O-CG 3.5Å; L437-E440 PolarHBondContact O-N 2.73Å; L437-V443 WeakPolarHBondContact O-CB 3.34Å; L437-V443 VanDerWaalsContact O-CG2 3.23Å; L437-V443 WeakPolarHBondContact O-CG2 3.43Å
438M65Low72.3Confident9 Ų966.8 Ų66.84%0.04435%0.348CS..Hα-helixtrans-66.8-22.4174.6-69-139100.700114.2M382 Q383 L386 T434 F435 N436 V443 Q444M382-M438 VanDerWaalsContact C-CE 3.41Å; M382-M438 HydrophobicContact CB-CE 3.68Å; Q383-M438 VanDerWaalsContact CA-CE 3.49Å; Q383-M438 VanDerWaalsContact CA-SD 3.5Å; Q383-M438 HydrophobicContact CB-CE 4.15Å; Q383-M438 HydrophobicContact CB-SD 3.43Å; Q383-M438 WeakPolarHBondContact CB-SD 3.5Å; Q383-M438 HydrophobicContact CG-SD 3.89Å; Q383-M438 VanDerWaalsContact N-CE 3.32Å; L386-M438 HydrophobicContact CD1-CE 3.75Å; L386-M438 HydrophobicContact CG-CE 4.41Å; T434-M438 VanDerWaalsContact O-CG 3.25Å; T434-M438 WeakPolarHBondContact O-CG 3.19Å; T434-M438 PolarHBondContact O-N 2.95Å; F435-M438 WeakPolarHBondContact O-CB 3.25Å; F435-M438 PolarHBondContact O-N 2.66Å; N436-M438 VanDerWaalsContact C-N 3.29Å; N436-M438 PolarHBondContact O-N 2.96Å; M438-V443 HydrophobicContact CE-CG1 4.34Å; M438-Q444 WeakPolarHBondContact O-CG 3.47Å; M438-Q444 PolarHBondContact O-NE2 3.47Å
439L69.8Low73.1Confident74 Ų7464.9 Ų64.939%0.38733%0.332SS..THydrogen-bonded Turntrans-75-15.8171.7-64.9171.8000111.7L379 F435 N436 L437L379-L439 HydrophobicContact CD1-CD2 4.26Å; F435-L439 HydrophobicContact CD1-CD1 4.34Å; F435-L439 HydrophobicContact CE1-CD1 4.01Å; F435-L439 HydrophobicContact CE1-CG 4.45Å; F435-L439 PolarHBondContact O-N 3.44Å; N436-L439 WeakPolarHBondContact O-CB 3.35Å; N436-L439 PolarHBondContact O-N 2.76Å; N436-L439 VanDerWaalsContact O-N 3.12Å; L437-L439 PolarHBondContact O-N 2.9Å
440E73.5Confident73.9Confident95 Ų9561.6 Ų61.644%0.44431%0.313SS..SBendtrans-69.2131.5174-58.6-174.4175.600110.5L437 S442 V443 Q444L437-E440 WeakPolarHBondContact O-CB 3.4Å; L437-E440 WeakPolarHBondContact O-CG 3.5Å; L437-E440 PolarHBondContact O-N 2.73Å; E440-S442 PolarHBondContact O-N 3.47Å; E440-V443 HydrophobicContact CB-CG2 4.29Å; E440-V443 PolarHBondContact O-N 3.46Å; E440-V443 VanDerWaalsContact O-N 3.14Å; E440-Q444 PolarHBondContact O-N 2.96Å; E440-Q444 VanDerWaalsContact O-N 3.17Å
441E77.2Confident75Confident77 Ų7757 Ų5736%0.3629%0.292SS..Hα-helixtrans-62.4-32.7-176.8-162.4-179.5158.800112.5V443 Q444 K445 K531 W539E441-V443 VanDerWaalsContact C-N 3.35Å; E441-V443 PolarHBondContact O-N 3.31Å; E441-Q444 PolarHBondContact O-N 3.22Å; E441-K445 WeakPolarHBondContact O-CB 3.35Å; E441-K445 PolarHBondContact O-N 3.18Å; E441-K531 WeakPolarHBondContact OE1-CE 3.09Å; E441-K531 IonicContact OE1-NZ 2.67Å; E441-K531 PolarHBondContact OE1-NZ 3.34Å; E441-K531 IonicContact OE2-NZ 2.76Å; E441-K531 PolarHBondContact OE2-NZ 3.33Å; E441-W539 PolarHBondContact OE1-NE1 3.4Å
442S79.9Confident75.9Confident74 Ų7454.1 Ų54.152%0.51727%0.273SS..Hα-helixtrans-58.1-44.3174.750.10000112.2E440 K445 E446E440-S442 PolarHBondContact O-N 3.47Å; S442-K445 PolarHBondContact O-N 3.36Å; S442-E446 PolarHBondContact O-N 3.25Å
443V79Confident76.6Confident33 Ų3351 Ų5120%0.226%0.258CS..Hα-helixtrans-69.9-38.3178.8178.90000110.4L386 L437 M438 E440 E441 E446 A447L386-V443 HydrophobicContact CD1-CG1 3.38Å; L437-V443 WeakPolarHBondContact O-CB 3.34Å; L437-V443 VanDerWaalsContact O-CG2 3.23Å; L437-V443 WeakPolarHBondContact O-CG2 3.43Å; M438-V443 HydrophobicContact CE-CG1 4.34Å; E440-V443 HydrophobicContact CB-CG2 4.29Å; E440-V443 PolarHBondContact O-N 3.46Å; E440-V443 VanDerWaalsContact O-N 3.14Å; E441-V443 VanDerWaalsContact C-N 3.35Å; E441-V443 PolarHBondContact O-N 3.31Å; V443-E446 PolarHBondContact O-N 3.36Å; V443-A447 WeakPolarHBondContact O-CB 3.35Å; V443-A447 PolarHBondContact O-N 3.07Å
444Q81.5Confident77.7Confident13 Ų1350.7 Ų50.76%0.06125%0.253CS..Hα-helixtrans-64.1-41.8175.8-66.9174.111.900112.3M382 M438 E440 E441 A447 F448 W539 L540M382-Q444 VanDerWaalsContact CE-CA 3.41Å; M382-Q444 HydrophobicContact CE-CB 3.76Å; M382-Q444 HydrophobicContact CE-CG 3.89Å; M382-Q444 WeakPolarHBondContact CE-O 3.4Å; M438-Q444 WeakPolarHBondContact O-CG 3.47Å; M438-Q444 PolarHBondContact O-NE2 3.47Å; E440-Q444 PolarHBondContact O-N 2.96Å; E440-Q444 VanDerWaalsContact O-N 3.17Å; E441-Q444 PolarHBondContact O-N 3.22Å; Q444-A447 PolarHBondContact O-N 3.44Å; Q444-F448 WeakPolarHBondContact O-CB 3.35Å; Q444-F448 PolarHBondContact O-N 2.78Å; Q444-W539 HydrophobicContact CB-CB 3.84Å; Q444-W539 HydrophobicContact CB-CG 4.41Å; Q444-L540 HydrophobicContact CG-CD2 4.28Å
445K83Confident78.2Confident49 Ų4953.6 Ų53.621%0.21326%0.262CS..Hα-helixtrans-62.9-42.9174.5-176.9179.4-175.1179.30111.9E441 S442 F448 A449 L524 E528 W539E441-K445 WeakPolarHBondContact O-CB 3.35Å; E441-K445 PolarHBondContact O-N 3.18Å; S442-K445 PolarHBondContact O-N 3.36Å; K445-F448 PolarHBondContact O-N 3Å; K445-A449 WeakPolarHBondContact O-CB 3.27Å; K445-A449 PolarHBondContact O-N 3.13Å; K445-L524 HydrophobicContact CG-CD1 4.37Å; K445-L524 HydrophobicContact CG-CD2 4.18Å; K445-L524 HydrophobicContact CG-CG 4.47Å; K445-E528 IonicContact NZ-OE1 3.08Å; K445-E528 PolarHBondContact NZ-OE1 3.11Å; K445-E528 IonicContact NZ-OE2 3.71Å; K445-E528 PolarHBondContact NZ-OE2 3.03Å; K445-W539 HydrophobicContact CB-CD2 4.13Å; K445-W539 HydrophobicContact CB-CZ2 4.16Å; K445-W539 HydrophobicContact CD-CH2 4.19Å; K445-W539 HydrophobicContact CD-CZ2 3.79Å; K445-W539 HydrophobicContact CG-CD2 4.42Å; K445-W539 HydrophobicContact CG-CE3 4.48Å; K445-W539 HydrophobicContact CG-CH2 3.83Å; K445-W539 HydrophobicContact CG-CZ2 3.72Å; K445-W539 HydrophobicContact CG-CZ3 4.22Å
446E82.9Confident79Confident96 Ų9649.2 Ų49.245%0.44924%0.242SC..Hα-helixtrans-67.3-42.7177.9-171.760.2-153.700111.8S442 V443 F448 A449 Q450S442-E446 PolarHBondContact O-N 3.25Å; V443-E446 PolarHBondContact O-N 3.36Å; E446-F448 VanDerWaalsContact C-N 3.31Å; E446-F448 PolarHBondContact O-N 3.28Å; E446-A449 PolarHBondContact O-N 3.28Å; E446-Q450 WeakPolarHBondContact O-CB 3.12Å; E446-Q450 PolarHBondContact O-N 3.08Å
447A82.9Confident79.5Confident0 Ų046 Ų460%023%0.227CC..Hα-helixtrans-60.7-40.8174.300000111.9M382 L386 V443 Q444 Q450 L451 Y543M382-A447 HydrophobicContact CB-CB 4.17Å; M382-A447 HydrophobicContact CE-CB 3.44Å; M382-A447 VanDerWaalsContact CE-CB 3.44Å; M382-A447 HydrophobicContact CG-CB 4.27Å; L386-A447 HydrophobicContact CD1-CB 4.09Å; L386-A447 HydrophobicContact CD2-CB 4.08Å; L386-A447 HydrophobicContact CG-CB 3.98Å; V443-A447 WeakPolarHBondContact O-CB 3.35Å; V443-A447 PolarHBondContact O-N 3.07Å; Q444-A447 PolarHBondContact O-N 3.44Å; A447-Q450 PolarHBondContact O-N 3.04Å; A447-L451 WeakPolarHBondContact O-CB 3.31Å; A447-L451 PolarHBondContact O-N 2.96Å; A447-Y543 HydrophobicContact CB-CE2 4.38Å
448F85.7Confident80.5Confident0 Ų044.2 Ų44.20%022%0.217CC..Hα-helixtrans-62.1-48.4172.3175.5-91.8000112F362 Q444 K445 E446 Q450 L451 Q452 L524 I527 W539 Q542 Y543 V546F362-F448 HydrophobicContact CE1-CE2 4.3Å; F362-F448 HydrophobicContact CE1-CZ 4.05Å; F362-F448 HydrophobicContact CZ-CZ 4.11Å; Q444-F448 WeakPolarHBondContact O-CB 3.35Å; Q444-F448 PolarHBondContact O-N 2.78Å; K445-F448 PolarHBondContact O-N 3Å; E446-F448 VanDerWaalsContact C-N 3.31Å; E446-F448 PolarHBondContact O-N 3.28Å; F448-Q450 VanDerWaalsContact C-N 3.25Å; F448-Q450 PolarHBondContact O-N 3.17Å; F448-L451 PolarHBondContact O-N 3.03Å; F448-Q452 WeakPolarHBondContact O-CB 3.41Å; F448-Q452 PolarHBondContact O-N 3.43Å; F448-L524 HydrophobicContact CD1-CD1 3.49Å; F448-L524 VanDerWaalsContact CD1-CD1 3.49Å; F448-L524 HydrophobicContact CE1-CD1 3.7Å; F448-I527 HydrophobicContact CE1-CD1 4.14Å; F448-I527 HydrophobicContact CZ-CD1 4.12Å; F448-W539 HydrophobicContact CB-CE3 4.14Å; F448-W539 HydrophobicContact CD1-CE3 4.02Å; F448-W539 AromaticContact CD1-CZ3 3.75Å; F448-W539 HydrophobicContact CD1-CZ3 3.75Å; F448-W539 HydrophobicContact CE1-CZ3 4.17Å; F448-W539 HydrophobicContact CG-CE3 4.01Å; F448-W539 HydrophobicContact CG-CZ3 4.23Å; F448-Q542 HydrophobicContact CD2-CB 3.88Å; F448-Q542 HydrophobicContact CE2-CB 3.53Å; F448-Q542 HydrophobicContact CZ-CB 4.17Å; F448-Y543 HydrophobicContact CB-CD2 4.34Å; F448-V546 HydrophobicContact CE2-CG2 3.6Å; F448-V546 HydrophobicContact CZ-CG2 4.14Å
449A86.4Confident81.5Confident5 Ų544.8 Ų44.84%0.04122%0.224CC..Hα-helixtrans-59.1-38.7178.300000111.8K445 E446 R453 L524K445-A449 WeakPolarHBondContact O-CB 3.27Å; K445-A449 PolarHBondContact O-N 3.13Å; E446-A449 PolarHBondContact O-N 3.28Å; A449-R453 WeakPolarHBondContact O-CG 3.28Å; A449-R453 PolarHBondContact O-N 3.26Å; A449-L524 HydrophobicContact CB-CD2 3.94Å
450Q83.6Confident82.2Confident36 Ų3644.7 Ų44.717%0.16823%0.226CC..Hα-helixtrans-69.1-45.5177.1-173.266.2-5.400112.1M385 T389 E446 A447 F448 Q452 R453 Q454M385-Q450 HydrophobicContact CE-CG 3.96Å; T389-Q450 PolarHBondContact OG1-NE2 3.33Å; E446-Q450 WeakPolarHBondContact O-CB 3.12Å; E446-Q450 PolarHBondContact O-N 3.08Å; A447-Q450 PolarHBondContact O-N 3.04Å; F448-Q450 VanDerWaalsContact C-N 3.25Å; F448-Q450 PolarHBondContact O-N 3.17Å; Q450-Q452 VanDerWaalsContact C-N 3.3Å; Q450-Q452 PolarHBondContact O-N 3.05Å; Q450-R453 PolarHBondContact O-N 2.96Å; Q450-Q454 WeakPolarHBondContact O-CG 3.31Å; Q450-Q454 PolarHBondContact O-N 2.97Å
451L83.7Confident82.9Confident6 Ų641.4 Ų41.43%0.03121%0.209CC..Hα-helixtrans-60.8-42.1174.6179.666.3000111M385 A447 F448 R453 Q454 K455 Y543 V546 L547M385-L451 HydrophobicContact CE-CB 4.36Å; M385-L451 HydrophobicContact CE-CD1 4.46Å; A447-L451 WeakPolarHBondContact O-CB 3.31Å; A447-L451 PolarHBondContact O-N 2.96Å; F448-L451 PolarHBondContact O-N 3.03Å; L451-R453 PolarHBondContact O-N 3.32Å; L451-Q454 PolarHBondContact O-N 3.05Å; L451-K455 HydrophobicContact CD1-CG 4.11Å; L451-K455 HydrophobicContact CG-CG 4.39Å; L451-K455 WeakPolarHBondContact O-CB 3.42Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.04Å; L451-Y543 HydrophobicContact CB-CD2 4.26Å; L451-Y543 HydrophobicContact CB-CE2 3.67Å; L451-Y543 HydrophobicContact CD2-CD1 4.11Å; L451-Y543 HydrophobicContact CD2-CD2 3.72Å; L451-Y543 HydrophobicContact CD2-CE1 3.94Å; L451-Y543 HydrophobicContact CD2-CE2 3.48Å; L451-Y543 VanDerWaalsContact CD2-CE2 3.48Å; L451-Y543 HydrophobicContact CD2-CG 4.01Å; L451-Y543 HydrophobicContact CG-CE2 4.14Å; L451-V546 HydrophobicContact CD2-CB 4.02Å; L451-V546 HydrophobicContact CD2-CG1 3.79Å; L451-V546 HydrophobicContact CG-CG1 3.86Å; L451-L547 HydrophobicContact CD1-CD2 4.15Å; L451-L547 HydrophobicContact CD2-CD2 3.84Å; L451-L547 HydrophobicContact CD2-CG 3.9Å
452Q85.6Confident83.4Confident18 Ų1837.7 Ų37.78%0.08419%0.192CC..Hα-helixtrans-59.8-45.9177.2-173.1178.48.900111F448 Q450 Q454 K455 D456 L520F448-Q452 WeakPolarHBondContact O-CB 3.41Å; F448-Q452 PolarHBondContact O-N 3.43Å; Q450-Q452 VanDerWaalsContact C-N 3.3Å; Q450-Q452 PolarHBondContact O-N 3.05Å; Q452-Q454 PolarHBondContact O-N 3.28Å; Q452-K455 PolarHBondContact O-N 3.05Å; Q452-D456 WeakPolarHBondContact O-CB 3.4Å; Q452-D456 PolarHBondContact O-N 3.44Å; Q452-L520 HydrophobicContact CG-CD2 4.41Å
453R83.9Confident83.8Confident79 Ų7937.4 Ų37.430%0.29818%0.182SC..Hα-helixtrans-62.7-38.5175.3-72.3178.1-160.9146.18.8113A449 Q450 L451 K455 L520A449-R453 WeakPolarHBondContact O-CG 3.28Å; A449-R453 PolarHBondContact O-N 3.26Å; Q450-R453 PolarHBondContact O-N 2.96Å; L451-R453 PolarHBondContact O-N 3.32Å; R453-K455 VanDerWaalsContact C-N 3.33Å; R453-L520 HydrophobicContact CG-CD1 4.07Å
454Q82Confident84.1Confident87 Ų8742.7 Ų42.741%0.40720%0.203SC..Hα-helixtrans-71.4-27.4178.8-75.3-171.93.400113.5M385 Q450 L451 Q452 V460M385-Q454 HydrophobicContact CE-CG 4.38Å; M385-Q454 PolarHBondContact SD-OE1 3.27Å; Q450-Q454 WeakPolarHBondContact O-CG 3.31Å; Q450-Q454 PolarHBondContact O-N 2.97Å; L451-Q454 PolarHBondContact O-N 3.05Å; Q452-Q454 PolarHBondContact O-N 3.28Å; Q454-V460 VanDerWaalsContact O-CG2 3.29Å; Q454-V460 WeakPolarHBondContact O-CG2 3.49Å
455K77.2Confident84.5Confident114 Ų11442.3 Ų42.350%0.49620%0.201SC..Hα-helixtrans-89.4-17.7177-68.8-67.1-173.21770113.2L451 Q452 R453 S457 V546L451-K455 HydrophobicContact CD1-CG 4.11Å; L451-K455 HydrophobicContact CG-CG 4.39Å; L451-K455 WeakPolarHBondContact O-CB 3.42Å; L451-K455 WeakPolarHBondContact O-CG 3.48Å; L451-K455 PolarHBondContact O-N 3.04Å; Q452-K455 PolarHBondContact O-N 3.05Å; R453-K455 VanDerWaalsContact C-N 3.33Å; K455-S457 PolarHBondContact O-N 3.4Å; K455-V546 HydrophobicContact CB-CG1 4.32Å; K455-V546 HydrophobicContact CG-CG1 4Å
456D83.1Confident84.7Confident4 Ų440 Ų402%0.02119%0.191CC..  trans-70.7108.6177.7-168.668.7000110.7Q452 Q458 A459 V460 R516Q452-D456 WeakPolarHBondContact O-CB 3.4Å; Q452-D456 PolarHBondContact O-N 3.44Å; D456-Q458 PolarHBondContact O-N 3.03Å; D456-A459 HydrophobicContact CB-CB 3.94Å; D456-A459 PolarHBondContact O-N 2.71Å; D456-A459 VanDerWaalsContact OD2-CB 3.29Å; D456-A459 WeakPolarHBondContact OD2-CB 2.99Å; D456-A459 PolarHBondContact OD2-N 3.18Å; D456-V460 WeakPolarHBondContact O-CG2 3.41Å; D456-V460 PolarHBondContact O-N 3.21Å; D456-R516 IonicContact OD1-CZ 3.08Å; D456-R516 IonicContact OD1-NE 2.79Å; D456-R516 IonicContact OD1-NH2 3.38Å; D456-R516 PolarHBondContact OD1-NH2 3.45Å; D456-R516 IonicContact OD2-CZ 3.75Å; D456-R516 IonicContact OD2-NE 2.92Å; D456-R516 PolarHBondContact OD2-NE 2.85Å; D456-R516 IonicContact OD2-NH2 3.32Å
457S81.3Confident84.9Confident27 Ų2737.7 Ų37.719%0.18919%0.185CC..Hα-helixtrans-61.1-36-175.873.90000111.8E354 K455 R461E354-S457 VanDerWaalsContact OE1-CB 3.3Å; E354-S457 WeakPolarHBondContact OE1-CB 3.42Å; E354-S457 PolarHBondContact OE1-OG 3.08Å; E354-S457 WeakPolarHBondContact OE2-CB 3.44Å; E354-S457 PolarHBondContact OE2-N 3.09Å; E354-S457 PolarHBondContact OE2-OG 3.26Å; K455-S457 PolarHBondContact O-N 3.4Å; S457-R461 WeakPolarHBondContact O-CB 3.47Å; S457-R461 PolarHBondContact O-N 3.19Å
458Q84.4Confident85.1Confident32 Ų3240.1 Ų40.115%0.1520%0.198CC..Hα-helixtrans-63.9-51.6177.6-172.7176.813.900111.1E351 D456 V460 R461 L462 R516E351-Q458 HydrophobicContact CG-CB 3.91Å; E351-Q458 HydrophobicContact CG-CG 4.34Å; D456-Q458 PolarHBondContact O-N 3.03Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.1Å; Q458-R461 PolarHBondContact O-N 3.19Å; Q458-L462 HydrophobicContact CG-CD1 3.98Å; Q458-L462 HydrophobicContact CG-CG 4.39Å; Q458-L462 WeakPolarHBondContact O-CB 3.44Å; Q458-L462 VanDerWaalsContact O-CG 3.26Å; Q458-L462 WeakPolarHBondContact O-CG 3.38Å; Q458-L462 PolarHBondContact O-N 3.29Å; Q458-R516 HydrophobicContact CG-CG 4.33Å; Q458-R516 VanDerWaalsContact OE1-NE 3.16Å; Q458-R516 VanDerWaalsContact OE1-NH1 3.1Å
459A85.8Confident85.2Confident22 Ų2240.1 Ų40.118%0.18220%0.198CC..Hα-helixtrans-60.9-42.6178.600000112.1D456 Q463D456-A459 HydrophobicContact CB-CB 3.94Å; D456-A459 PolarHBondContact O-N 2.71Å; D456-A459 VanDerWaalsContact OD2-CB 3.29Å; D456-A459 WeakPolarHBondContact OD2-CB 2.99Å; D456-A459 PolarHBondContact OD2-N 3.18Å; A459-Q463 WeakPolarHBondContact O-CB 3.38Å; A459-Q463 PolarHBondContact O-N 2.76Å
460V84.4Confident85.3Confident71 Ų7140.3 Ų40.343%0.4320%0.198SC..Hα-helixtrans-64.2-43.2177.5173.10000111.3Q454 D456 Q458 Q463 K464Q454-V460 VanDerWaalsContact O-CG2 3.29Å; Q454-V460 WeakPolarHBondContact O-CG2 3.49Å; D456-V460 WeakPolarHBondContact O-CG2 3.41Å; D456-V460 PolarHBondContact O-N 3.21Å; Q458-V460 VanDerWaalsContact C-N 3.34Å; Q458-V460 PolarHBondContact O-N 3.1Å; V460-Q463 PolarHBondContact O-N 3.28Å; V460-K464 WeakPolarHBondContact O-CB 3.32Å; V460-K464 PolarHBondContact O-N 3.23Å
461R87.7Confident85.4Confident26 Ų2644 Ų4410%0.09822%0.215CC..Hα-helixtrans-63.2-49.9177.2-179-177.164.276.8-3.8111.4I343 N344 A347 E351 S457 Q458 Q463 K464 E465I343-R461 HydrophobicContact CG2-CG 4.41Å; N344-R461 PolarHBondContact OD1-NH1 3.03Å; A347-R461 VanDerWaalsContact CB-CD 3.46Å; E351-R461 IonicContact OE1-CZ 3.42Å; E351-R461 IonicContact OE1-NE 2.61Å; E351-R461 PolarHBondContact OE1-NE 2.99Å; E351-R461 IonicContact OE1-NH2 3.27Å; E351-R461 PolarHBondContact OE1-NH2 3.37Å; E351-R461 IonicContact OE2-NH2 2.67Å; E351-R461 PolarHBondContact OE2-NH2 3.38Å; S457-R461 WeakPolarHBondContact O-CB 3.47Å; S457-R461 PolarHBondContact O-N 3.19Å; Q458-R461 PolarHBondContact O-N 3.19Å; R461-Q463 VanDerWaalsContact C-N 3.3Å; R461-Q463 PolarHBondContact O-N 3.36Å; R461-K464 PolarHBondContact O-N 3.17Å; R461-K464 VanDerWaalsContact O-N 3.15Å; R461-E465 VanDerWaalsContact CD-OE1 3.3Å; R461-E465 WeakPolarHBondContact CD-OE1 3.45Å; R461-E465 HydrophobicContact CG-CG 4.26Å; R461-E465 WeakPolarHBondContact CG-OE1 3.33Å; R461-E465 IonicContact CZ-OE1 3.52Å; R461-E465 IonicContact NE-OE1 3.41Å; R461-E465 IonicContact NH1-OE1 3.64Å; R461-E465 PolarHBondContact NH1-OE1 2.89Å; R461-E465 IonicContact NH1-OE2 3.46Å; R461-E465 PolarHBondContact NH1-OE2 3.48Å; R461-E465 WeakPolarHBondContact O-CG 3.15Å; R461-E465 PolarHBondContact O-N 2.84Å
462L88.4Confident85.6Confident0 Ų044 Ų440%022%0.215CC..Hα-helixtrans-57.1-45.5178.3-71.9172.4000110.8Q458 K464 E465 I466 L509 E512 Q513 R516Q458-L462 HydrophobicContact CG-CD1 3.98Å; Q458-L462 HydrophobicContact CG-CG 4.39Å; Q458-L462 WeakPolarHBondContact O-CB 3.44Å; Q458-L462 VanDerWaalsContact O-CG 3.26Å; Q458-L462 WeakPolarHBondContact O-CG 3.38Å; Q458-L462 PolarHBondContact O-N 3.29Å; L462-K464 PolarHBondContact O-N 3.17Å; L462-E465 PolarHBondContact O-N 3.23Å; L462-I466 WeakPolarHBondContact O-CB 3.48Å; L462-I466 WeakPolarHBondContact O-CD1 3.36Å; L462-I466 WeakPolarHBondContact O-CG1 3.26Å; L462-I466 PolarHBondContact O-N 3.09Å; L462-L509 HydrophobicContact CD2-CD2 3.68Å; L462-E512 HydrophobicContact CD1-CB 4.32Å; L462-E512 HydrophobicContact CD2-CB 4.06Å; L462-Q513 HydrophobicContact CD1-CB 4.42Å; L462-R516 HydrophobicContact CD1-CB 4.31Å
463Q86.9Confident85.8Confident67 Ų6743.1 Ų43.131%0.31321%0.211SC..Hα-helixtrans-59.1-46.3176.4-17462.836.900111.8A459 V460 R461 I466 C467A459-Q463 WeakPolarHBondContact O-CB 3.38Å; A459-Q463 PolarHBondContact O-N 2.76Å; V460-Q463 PolarHBondContact O-N 3.28Å; R461-Q463 VanDerWaalsContact C-N 3.3Å; R461-Q463 PolarHBondContact O-N 3.36Å; Q463-I466 PolarHBondContact O-N 3.09Å; Q463-C467 PolarHBondContact O-N 3.41Å; Q463-C467 PolarHBondContact O-SG 3.11Å
464K86.4Confident85.9Confident144 Ų14440.3 Ų40.363%0.62620%0.203SC*.Hα-helixtrans-64.3-43.8179.5-174.5178.6179.6179.50112.1V460 R461 L462 C467 L468V460-K464 WeakPolarHBondContact O-CB 3.32Å; V460-K464 PolarHBondContact O-N 3.23Å; R461-K464 PolarHBondContact O-N 3.17Å; R461-K464 VanDerWaalsContact O-N 3.15Å; L462-K464 PolarHBondContact O-N 3.17Å; K464-C467 PolarHBondContact O-N 3.23Å; K464-L468 HydrophobicContact CG-CD1 4.41Å; K464-L468 WeakPolarHBondContact O-CG 3.43Å; K464-L468 PolarHBondContact O-N 3.44Å
465E88.9Confident86.1Confident6 Ų638.5 Ų38.53%0.02819%0.192CC..Hα-helixtrans-65-41.5178.4-70.8177.7-16600111.4I340 N344 R461 L462 L468 I469 L509I340-E465 HydrophobicContact CD1-CB 4.44Å; I340-E465 HydrophobicContact CG1-CG 4.29Å; I340-E465 HydrophobicContact CG2-CG 4.33Å; I340-E465 WeakPolarHBondContact CG2-OE2 3.4Å; N344-E465 PolarHBondContact ND2-OE2 3.45Å; R461-E465 VanDerWaalsContact CD-OE1 3.3Å; R461-E465 WeakPolarHBondContact CD-OE1 3.45Å; R461-E465 HydrophobicContact CG-CG 4.26Å; R461-E465 WeakPolarHBondContact CG-OE1 3.33Å; R461-E465 IonicContact CZ-OE1 3.52Å; R461-E465 IonicContact NE-OE1 3.41Å; R461-E465 IonicContact NH1-OE1 3.64Å; R461-E465 PolarHBondContact NH1-OE1 2.89Å; R461-E465 IonicContact NH1-OE2 3.46Å; R461-E465 PolarHBondContact NH1-OE2 3.48Å; R461-E465 WeakPolarHBondContact O-CG 3.15Å; R461-E465 PolarHBondContact O-N 2.84Å; L462-E465 PolarHBondContact O-N 3.23Å; E465-L468 PolarHBondContact O-N 3.04Å; E465-I469 WeakPolarHBondContact O-CG1 3.36Å; E465-I469 PolarHBondContact O-N 3.49Å; E465-I469 VanDerWaalsContact O-N 3.08Å; E465-L509 HydrophobicContact CB-CD1 3.77Å; E465-L509 WeakPolarHBondContact OE2-CD2 3.49Å
466I88.4Confident86.6Confident1 Ų133.1 Ų33.11%0.00517%0.169CC..Hα-helixtrans-59.5-50174.3-70.6164.4000110.3L462 Q463 L468 I469 E470 L506 L509 L510 Q513L462-I466 WeakPolarHBondContact O-CB 3.48Å; L462-I466 WeakPolarHBondContact O-CD1 3.36Å; L462-I466 WeakPolarHBondContact O-CG1 3.26Å; L462-I466 PolarHBondContact O-N 3.09Å; Q463-I466 PolarHBondContact O-N 3.09Å; I466-L468 VanDerWaalsContact C-N 3.31Å; I466-L468 PolarHBondContact O-N 2.95Å; I466-I469 PolarHBondContact O-N 3.27Å; I466-E470 HydrophobicContact CG2-CG 4.23Å; I466-E470 WeakPolarHBondContact O-CB 3.49Å; I466-E470 WeakPolarHBondContact O-CG 3.4Å; I466-E470 PolarHBondContact O-N 3.41Å; I466-L506 HydrophobicContact CG1-CD1 4.38Å; I466-L506 HydrophobicContact CG2-CD1 4.02Å; I466-L509 HydrophobicContact CD1-CB 4.38Å; I466-L509 HydrophobicContact CG1-CB 3.89Å; I466-L509 HydrophobicContact CG1-CD1 4.43Å; I466-L510 HydrophobicContact CD1-CD2 4.11Å; I466-Q513 HydrophobicContact CD1-CB 4.11Å; I466-Q513 HydrophobicContact CD1-CG 4.34Å
467C85.6Confident86.9Confident47 Ų4733.2 Ų33.232%0.31817%0.169SC..Hα-helixtrans-59.1-40.6179.1-70.70000112.6Q463 K464 E470 E471Q463-C467 PolarHBondContact O-N 3.41Å; Q463-C467 PolarHBondContact O-SG 3.11Å; K464-C467 PolarHBondContact O-N 3.23Å; C467-E470 PolarHBondContact O-N 3.4Å; C467-E471 PolarHBondContact O-N 2.98Å
468L88.2Confident87.1Confident51 Ų5134.5 Ų34.527%0.26717%0.174SC..Hα-helixtrans-64.1-41.1177.3-72.9171.2000112.3K464 E465 I466 E472K464-L468 HydrophobicContact CG-CD1 4.41Å; K464-L468 WeakPolarHBondContact O-CG 3.43Å; K464-L468 PolarHBondContact O-N 3.44Å; E465-L468 PolarHBondContact O-N 3.04Å; I466-L468 VanDerWaalsContact C-N 3.31Å; I466-L468 PolarHBondContact O-N 2.95Å; L468-E472 PolarHBondContact O-N 3.2Å
469I88.3Confident87.2Confident0 Ų033.3 Ų33.30%017%0.17CC..Hα-helixtrans-68.2-41.5176.4-64.2172.5000110.7I340 E465 I466 E471 E472 L473 L502 L505 L506 L509I340-I469 HydrophobicContact CD1-CD1 3.81Å; I340-I469 HydrophobicContact CD1-CG1 3.57Å; E465-I469 WeakPolarHBondContact O-CG1 3.36Å; E465-I469 PolarHBondContact O-N 3.49Å; E465-I469 VanDerWaalsContact O-N 3.08Å; I466-I469 PolarHBondContact O-N 3.27Å; I469-E471 VanDerWaalsContact C-N 3.33Å; I469-E471 PolarHBondContact O-N 3.19Å; I469-E472 PolarHBondContact O-N 2.77Å; I469-L473 HydrophobicContact CG2-CD1 3.95Å; I469-L473 HydrophobicContact CG2-CG 4.19Å; I469-L473 WeakPolarHBondContact O-CB 3.46Å; I469-L473 VanDerWaalsContact O-CG 3.31Å; I469-L473 WeakPolarHBondContact O-CG 3.29Å; I469-L473 PolarHBondContact O-N 3.2Å; I469-L502 HydrophobicContact CG1-CD2 4.32Å; I469-L502 HydrophobicContact CG2-CB 4.14Å; I469-L502 HydrophobicContact CG2-CD2 4.18Å; I469-L505 HydrophobicContact CD1-CB 4.2Å; I469-L505 HydrophobicContact CD1-CD2 3.74Å; I469-L505 HydrophobicContact CD1-CG 3.69Å; I469-L506 HydrophobicContact CG2-CB 3.96Å; I469-L506 HydrophobicContact CG2-CD1 4.38Å; I469-L506 HydrophobicContact CG2-CD2 4.48Å; I469-L509 HydrophobicContact CD1-CD1 3.54Å
470E86.9Confident87.2Confident8 Ų832.5 Ų32.54%0.03716%0.162CC..Hα-helixtrans-56.9-45.6175.9-77.7-171.8171.900111.7I466 C467 L473 C474 I676 L709 H710I466-E470 HydrophobicContact CG2-CG 4.23Å; I466-E470 WeakPolarHBondContact O-CB 3.49Å; I466-E470 WeakPolarHBondContact O-CG 3.4Å; I466-E470 PolarHBondContact O-N 3.41Å; C467-E470 PolarHBondContact O-N 3.4Å; E470-L473 PolarHBondContact O-N 3.39Å; E470-C474 PolarHBondContact O-N 2.96Å; E470-C474 VanDerWaalsContact O-N 3.11Å; E470-C474 PolarHBondContact O-SG 3.27Å; E470-I676 HydrophobicContact CG-CD1 4.05Å; E470-L709 HydrophobicContact CB-CD2 3.71Å; E470-L709 HydrophobicContact CG-CD2 3.63Å; E470-H710 IonicContact OE1-ND1 3.03Å; E470-H710 PolarHBondContact OE2-N 3.05Å
471E85.9Confident87.2Confident115 Ų11534 Ų3454%0.53716%0.16SC..Hα-helixtrans-62.8-44.3175.8-172.1179.5179.300111.9C467 I469 L473 C474 R475C467-E471 PolarHBondContact O-N 2.98Å; I469-E471 VanDerWaalsContact C-N 3.33Å; I469-E471 PolarHBondContact O-N 3.19Å; E471-L473 PolarHBondContact O-N 2.94Å; E471-C474 WeakPolarHBondContact O-CB 3.5Å; E471-C474 PolarHBondContact O-N 2.98Å; E471-R475 PolarHBondContact O-N 2.94Å
472E88.1Confident87Confident5 Ų534.7 Ų34.72%0.02317%0.169CC..Hα-helixtrans-66.4-38.4179.3-171.156.2-126.100112.1A333 I336 L468 I469 C474 R475 L476 L502A333-E472 HydrophobicContact CB-CG 3.97Å; I336-E472 HydrophobicContact CD1-CB 3.82Å; I336-E472 HydrophobicContact CD1-CG 3.96Å; I336-E472 VanDerWaalsContact CD1-OE2 3.3Å; I336-E472 WeakPolarHBondContact CD1-OE2 3.32Å; L468-E472 PolarHBondContact O-N 3.2Å; I469-E472 PolarHBondContact O-N 2.77Å; E472-C474 VanDerWaalsContact C-N 3.3Å; E472-C474 PolarHBondContact O-N 2.85Å; E472-R475 VanDerWaalsContact CD-CZ 3.42Å; E472-R475 PolarHBondContact O-N 3.4Å; E472-R475 VanDerWaalsContact O-N 3.15Å; E472-R475 IonicContact OE1-CZ 3.38Å; E472-R475 IonicContact OE1-NE 3.8Å; E472-R475 PolarHBondContact OE1-NE 3.21Å; E472-R475 IonicContact OE1-NH2 2.66Å; E472-R475 PolarHBondContact OE1-NH2 3.44Å; E472-R475 IonicContact OE2-CZ 3.72Å; E472-R475 IonicContact OE2-NE 3.39Å; E472-R475 PolarHBondContact OE2-NE 3.25Å; E472-R475 IonicContact OE2-NH1 3.77Å; E472-R475 PolarHBondContact OE2-NH1 3.42Å; E472-R475 IonicContact OE2-NH2 2.69Å; E472-R475 PolarHBondContact OE2-NH2 3.12Å; E472-L476 WeakPolarHBondContact O-CG 3.28Å; E472-L476 PolarHBondContact O-N 3.27Å; E472-L502 HydrophobicContact CB-CD1 4.23Å; E472-L502 HydrophobicContact CG-CD1 3.66Å
473L89.5Confident86.9Confident0 Ų035.8 Ų35.80%017%0.173CC..Hα-helixtrans-62.8-36.9173.5-73.1172.3000112I469 E470 E471 T477 R499 L502 L503 L506 I676I469-L473 HydrophobicContact CG2-CD1 3.95Å; I469-L473 HydrophobicContact CG2-CG 4.19Å; I469-L473 WeakPolarHBondContact O-CB 3.46Å; I469-L473 VanDerWaalsContact O-CG 3.31Å; I469-L473 WeakPolarHBondContact O-CG 3.29Å; I469-L473 PolarHBondContact O-N 3.2Å; E470-L473 PolarHBondContact O-N 3.39Å; E471-L473 PolarHBondContact O-N 2.94Å; L473-T477 WeakPolarHBondContact O-CB 3.44Å; L473-T477 PolarHBondContact O-N 2.87Å; L473-T477 PolarHBondContact O-OG1 3.11Å; L473-R499 HydrophobicContact CD2-CG 3.94Å; L473-L502 HydrophobicContact CD2-CB 4.03Å; L473-L502 HydrophobicContact CD2-CD1 4.31Å; L473-L503 HydrophobicContact CD1-CD2 3.8Å; L473-L503 HydrophobicContact CD2-CD2 3.99Å; L473-L503 HydrophobicContact CD2-CG 4.28Å; L473-L506 HydrophobicContact CD1-CD2 3.8Å; L473-I676 HydrophobicContact CD1-CD1 4.13Å
474C86.5Confident86.8Confident19 Ų1936.2 Ų36.213%0.12818%0.176CC..Hα-helixtrans-62.2-45172.5-66.60000110.8E470 E471 E472 T477 L478E470-C474 PolarHBondContact O-N 2.96Å; E470-C474 VanDerWaalsContact O-N 3.11Å; E470-C474 PolarHBondContact O-SG 3.27Å; E471-C474 WeakPolarHBondContact O-CB 3.5Å; E471-C474 PolarHBondContact O-N 2.98Å; E472-C474 VanDerWaalsContact C-N 3.3Å; E472-C474 PolarHBondContact O-N 2.85Å; C474-T477 WeakPolarHBondContact O-CB 3.25Å; C474-T477 PolarHBondContact O-N 3.48Å; C474-L478 PolarHBondContact O-N 2.86Å
475R86.6Confident86.6Confident50 Ų5034.7 Ų34.719%0.18918%0.175CC..Hα-helixtrans-67.3-41.6179.6-166.1179.571.7177.19.6113.4L328 A329 N332 E471 E472 T477 L478 A479 M661L328-R475 PolarHBondContact O-NH2 2.97Å; A329-R475 PolarHBondContact O-NH2 2.89Å; N332-R475 VanDerWaalsContact CG-NH1 3.3Å; N332-R475 PolarHBondContact ND2-NH1 2.96Å; N332-R475 PolarHBondContact ND2-NH2 2.93Å; E471-R475 PolarHBondContact O-N 2.94Å; E472-R475 VanDerWaalsContact CD-CZ 3.42Å; E472-R475 PolarHBondContact O-N 3.4Å; E472-R475 VanDerWaalsContact O-N 3.15Å; E472-R475 IonicContact OE1-CZ 3.38Å; E472-R475 IonicContact OE1-NE 3.8Å; E472-R475 PolarHBondContact OE1-NE 3.21Å; E472-R475 IonicContact OE1-NH2 2.66Å; E472-R475 PolarHBondContact OE1-NH2 3.44Å; E472-R475 IonicContact OE2-CZ 3.72Å; E472-R475 IonicContact OE2-NE 3.39Å; E472-R475 PolarHBondContact OE2-NE 3.25Å; E472-R475 IonicContact OE2-NH1 3.77Å; E472-R475 PolarHBondContact OE2-NH1 3.42Å; E472-R475 IonicContact OE2-NH2 2.69Å; E472-R475 PolarHBondContact OE2-NH2 3.12Å; R475-T477 VanDerWaalsContact C-N 3.28Å; R475-T477 PolarHBondContact O-N 3.16Å; R475-L478 WeakPolarHBondContact O-CB 3.26Å; R475-L478 PolarHBondContact O-N 3.03Å; R475-L478 VanDerWaalsContact O-N 3.16Å; R475-A479 PolarHBondContact O-N 3.18Å; R475-M661 HydrophobicContact CB-CE 3.77Å; R475-M661 HydrophobicContact CB-SD 4.45Å; R475-M661 HydrophobicContact CG-CE 3.6Å
476L88.6Confident86.2Confident0 Ų038.5 Ų38.50%019%0.193CC..Hα-helixtrans-60.7-40.9173.1-74173.8000111.1A329 A333 E472 L478 A479 E480 L495 C498 R499 L502A329-L476 HydrophobicContact CB-CD2 4.12Å; A333-L476 HydrophobicContact CB-CD1 4.39Å; A333-L476 HydrophobicContact CB-CD2 4.41Å; E472-L476 WeakPolarHBondContact O-CG 3.28Å; E472-L476 PolarHBondContact O-N 3.27Å; L476-L478 VanDerWaalsContact C-N 3.28Å; L476-L478 PolarHBondContact O-N 3.1Å; L476-A479 PolarHBondContact O-N 2.94Å; L476-E480 WeakPolarHBondContact O-CG 3.47Å; L476-E480 PolarHBondContact O-N 3.44Å; L476-L495 HydrophobicContact CD2-CD2 3.71Å; L476-C498 HydrophobicContact CD1-CB 4.49Å; L476-R499 HydrophobicContact CD1-CB 4.35Å; L476-L502 HydrophobicContact CD1-CD1 3.47Å; L476-L502 VanDerWaalsContact CD1-CD1 3.47Å
477T88.3Confident85.8Confident6 Ų649.7 Ų49.74%0.03724%0.235CC..Hα-helixtrans-61.8-37.6175.9-58.10000111.8L473 C474 R475 R481 R499 V683 L698L473-T477 WeakPolarHBondContact O-CB 3.44Å; L473-T477 PolarHBondContact O-N 2.87Å; L473-T477 PolarHBondContact O-OG1 3.11Å; C474-T477 WeakPolarHBondContact O-CB 3.25Å; C474-T477 PolarHBondContact O-N 3.48Å; R475-T477 VanDerWaalsContact C-N 3.28Å; R475-T477 PolarHBondContact O-N 3.16Å; T477-R481 WeakPolarHBondContact O-CB 3.09Å; T477-R481 PolarHBondContact O-N 3.43Å; T477-R499 PolarHBondContact OG1-NH2 3.41Å; T477-V683 WeakPolarHBondContact CG2-O 3.29Å; T477-V683 PolarHBondContact OG1-N 2.93Å; T477-L698 HydrophobicContact CG2-CD1 3.66Å
478L86Confident85.5Confident54 Ų5449 Ų4928%0.28323%0.229SC..Hα-helixtrans-65.7-46.7173.7-81.8173.1000113.1C474 R475 L476 E480 R481 S482 M661 N663C474-L478 PolarHBondContact O-N 2.86Å; R475-L478 WeakPolarHBondContact O-CB 3.26Å; R475-L478 PolarHBondContact O-N 3.03Å; R475-L478 VanDerWaalsContact O-N 3.16Å; L476-L478 VanDerWaalsContact C-N 3.28Å; L476-L478 PolarHBondContact O-N 3.1Å; L478-E480 VanDerWaalsContact C-N 3.25Å; L478-E480 PolarHBondContact O-N 3.32Å; L478-R481 PolarHBondContact O-N 2.61Å; L478-S482 WeakPolarHBondContact O-CB 3.09Å; L478-S482 PolarHBondContact O-N 2.78Å; L478-M661 HydrophobicContact CD1-CE 4.32Å; L478-M661 HydrophobicContact CD1-CG 4.5Å; L478-M661 HydrophobicContact CD1-SD 4.44Å; L478-N663 WeakPolarHBondContact CD1-ND2 3.37Å; L478-N663 WeakPolarHBondContact CD2-ND2 3.37Å; L478-N663 WeakPolarHBondContact CD2-OD1 3.4Å; L478-N663 VanDerWaalsContact CG-ND2 3.26Å; L478-N663 WeakPolarHBondContact CG-ND2 3.43Å
479A85.6Confident85.1Confident7 Ų754.4 Ų54.46%0.05825%0.253CS..Hα-helixtrans-58-42.5178.100000110.8V326 A329 R475 L476 S482 R483V326-A479 HydrophobicContact CG2-CB 4.49Å; A329-A479 HydrophobicContact CB-CB 3.78Å; R475-A479 PolarHBondContact O-N 3.18Å; L476-A479 PolarHBondContact O-N 2.94Å; A479-S482 PolarHBondContact O-N 2.84Å; A479-R483 WeakPolarHBondContact O-CB 3.28Å; A479-R483 PolarHBondContact O-N 2.96Å
480E86.7Confident84.5Confident5 Ų556.7 Ų56.72%0.02327%0.267CS..Hα-helixtrans-69-41.3176.4-74-177.5156.700114.1L476 L478 S482 R483 I484 L495 R499 H682L476-E480 WeakPolarHBondContact O-CG 3.47Å; L476-E480 PolarHBondContact O-N 3.44Å; L478-E480 VanDerWaalsContact C-N 3.25Å; L478-E480 PolarHBondContact O-N 3.32Å; E480-S482 VanDerWaalsContact C-N 3.27Å; E480-S482 PolarHBondContact O-N 3.03Å; E480-R483 WeakPolarHBondContact O-CB 3.31Å; E480-R483 PolarHBondContact O-N 3.41Å; E480-I484 WeakPolarHBondContact O-CB 3.4Å; E480-I484 VanDerWaalsContact O-CG1 3.28Å; E480-I484 WeakPolarHBondContact O-CG1 3.48Å; E480-I484 PolarHBondContact O-N 3.14Å; E480-L495 HydrophobicContact CG-CD1 3.94Å; E480-R499 VanDerWaalsContact CD-NH2 3.3Å; E480-R499 IonicContact OE1-CZ 3.62Å; E480-R499 IonicContact OE1-NH1 2.74Å; E480-R499 PolarHBondContact OE1-NH1 2.98Å; E480-R499 IonicContact OE1-NH2 2.7Å; E480-R499 IonicContact OE2-CZ 2.65Å; E480-R499 IonicContact OE2-NH1 2.92Å; E480-R499 PolarHBondContact OE2-NH1 2.94Å; E480-R499 IonicContact OE2-NH2 3.35Å; E480-R499 PolarHBondContact OE2-NH2 3.43Å; E480-H682 IonicContact OE2-CD2 3.58Å; E480-H682 PolarHBondContact OE2-CD2 2.98Å; E480-H682 IonicContact OE2-CE1 2.84Å; E480-H682 IonicContact OE2-NE2 3.5Å; E480-H682 PolarHBondContact OE2-NE2 3.28Å
481R84.9Confident84.2Confident104 Ų10458.9 Ų58.939%0.39228%0.279SS..Hα-helixtrans-60.5-42.9175.4-172.2175.5-179.1179.3-2.2110.4T477 L478 R483 I484 N485T477-R481 WeakPolarHBondContact O-CB 3.09Å; T477-R481 PolarHBondContact O-N 3.43Å; L478-R481 PolarHBondContact O-N 2.61Å; R481-R483 VanDerWaalsContact C-N 3.34Å; R481-R483 PolarHBondContact O-N 2.93Å; R481-I484 PolarHBondContact O-N 2.9Å; R481-N485 WeakPolarHBondContact O-CB 3.41Å; R481-N485 PolarHBondContact O-N 3.13Å; R481-N485 PolarHBondContact O-ND2 2.79Å; R481-N485 PolarHBondContact O-OD1 3.2Å
482S83.2Confident84.2Confident40 Ų4056.8 Ų56.828%0.2827%0.269SS..Hα-helixtrans-60.8-43.4174.4-169.50000111.8L322 L478 A479 E480 N485 Q486L322-S482 WeakPolarHBondContact CD1-OG 3.44Å; L478-S482 WeakPolarHBondContact O-CB 3.09Å; L478-S482 PolarHBondContact O-N 2.78Å; A479-S482 PolarHBondContact O-N 2.84Å; E480-S482 VanDerWaalsContact C-N 3.27Å; E480-S482 PolarHBondContact O-N 3.03Å; S482-N485 PolarHBondContact O-N 2.91Å; S482-Q486 WeakPolarHBondContact O-CG 3.14Å; S482-Q486 PolarHBondContact O-N 3.3Å; S482-Q486 VanDerWaalsContact O-N 3.12Å
483R85.9Confident84.1Confident23 Ų2366.1 Ų66.19%0.08730%0.304CS..Hα-helixtrans-60.7-48.6175.6-173.9-168.76380.2-8.8112.3L322 A479 E480 R481 N485 Q486 R487 T488 V490L322-R483 HydrophobicContact CD1-CB 4.41Å; A479-R483 WeakPolarHBondContact O-CB 3.28Å; A479-R483 PolarHBondContact O-N 2.96Å; E480-R483 WeakPolarHBondContact O-CB 3.31Å; E480-R483 PolarHBondContact O-N 3.41Å; R481-R483 VanDerWaalsContact C-N 3.34Å; R481-R483 PolarHBondContact O-N 2.93Å; R483-N485 PolarHBondContact O-N 3.28Å; R483-Q486 CarbonylContact O-C 3.59Å; R483-Q486 PolarHBondContact O-N 3Å; R483-R487 PolarHBondContact O-N 3.11Å; R483-R487 VanDerWaalsContact O-N 3.11Å; R483-T488 VanDerWaalsContact CG-O 3.23Å; R483-T488 WeakPolarHBondContact CG-O 3.25Å; R483-T488 VanDerWaalsContact CG-OG1 3.31Å; R483-T488 WeakPolarHBondContact CG-OG1 3.48Å; R483-T488 PolarHBondContact NH1-O 2.83Å; R483-T488 PolarHBondContact O-N 2.97Å; R483-T488 PolarHBondContact O-OG1 2.95Å; R483-V490 WeakPolarHBondContact CD-O 3.42Å
484I84.1Confident84Confident75 Ų7568.9 Ų68.939%0.38532%0.321SS..Hα-helixtrans-61.7-44177.8-69.3166.9000110.5E480 R481 Q486 R487E480-I484 WeakPolarHBondContact O-CB 3.4Å; E480-I484 VanDerWaalsContact O-CG1 3.28Å; E480-I484 WeakPolarHBondContact O-CG1 3.48Å; E480-I484 PolarHBondContact O-N 3.14Å; R481-I484 PolarHBondContact O-N 2.9Å; I484-Q486 PolarHBondContact O-N 2.91Å; I484-R487 PolarHBondContact O-N 2.78Å
485N81.7Confident84Confident112 Ų11268 Ų6860%0.59932%0.315SS*.Hα-helixtrans-60-33.6177.7-72.4-15.6000112.4R481 S482 R483 R487R481-N485 WeakPolarHBondContact O-CB 3.41Å; R481-N485 PolarHBondContact O-N 3.13Å; R481-N485 PolarHBondContact O-ND2 2.79Å; R481-N485 PolarHBondContact O-OD1 3.2Å; S482-N485 PolarHBondContact O-N 2.91Å; R483-N485 PolarHBondContact O-N 3.28Å; N485-R487 VanDerWaalsContact C-N 3.34Å
486Q80.8Confident84.1Confident86 Ų8669 Ų6940%0.40232%0.324SS..THydrogen-bonded Turntrans-87.60.3176.2-65.9-66.5-28.200113.5L322 S482 R483 I484 T488L322-Q486 HydrophobicContact CD2-CB 3.74Å; L322-Q486 HydrophobicContact CD2-CG 4.01Å; S482-Q486 WeakPolarHBondContact O-CG 3.14Å; S482-Q486 PolarHBondContact O-N 3.3Å; S482-Q486 VanDerWaalsContact O-N 3.12Å; R483-Q486 CarbonylContact O-C 3.59Å; R483-Q486 PolarHBondContact O-N 3Å; I484-Q486 PolarHBondContact O-N 2.91Å; Q486-T488 HydrophobicContact CB-CG2 4.14Å; Q486-T488 PolarHBondContact O-N 3.21Å
487R80.2Confident84.2Confident237 Ų23774.6 Ų74.689%0.89435%0.35SS*.THydrogen-bonded Turntrans5240.5-178.2-56-178.9-178-179.5-0113R483 I484 N485R483-R487 PolarHBondContact O-N 3.11Å; R483-R487 VanDerWaalsContact O-N 3.11Å; I484-R487 PolarHBondContact O-N 2.78Å; N485-R487 VanDerWaalsContact C-N 3.34Å
488T78.6Confident84.2Confident32 Ų3275 Ų7520%0.19635%0.353CS..  trans-106.1149.3178.459.30000111.3L322 R483 Q486L322-T488 HydrophobicContact CD2-CG2 3.98Å; L322-T488 VanDerWaalsContact CD2-OG1 3.27Å; L322-T488 WeakPolarHBondContact CD2-OG1 3.38Å; R483-T488 VanDerWaalsContact CG-O 3.23Å; R483-T488 WeakPolarHBondContact CG-O 3.25Å; R483-T488 VanDerWaalsContact CG-OG1 3.31Å; R483-T488 WeakPolarHBondContact CG-OG1 3.48Å; R483-T488 PolarHBondContact NH1-O 2.83Å; R483-T488 PolarHBondContact O-N 2.97Å; R483-T488 PolarHBondContact O-OG1 2.95Å; Q486-T488 HydrophobicContact CB-CG2 4.14Å; Q486-T488 PolarHBondContact O-N 3.21Å
489E80.5Confident84.4Confident165 Ų16572.8 Ų72.877%0.77134%0.341SS*.  trans-105.611.9175.5-64-179.8174.400112.1N491 Q492E489-N491 PolarHBondContact O-N 3.28Å; E489-Q492 PolarHBondContact O-N 2.77Å
490V76.9Confident84.6Confident47 Ų4776 Ų7629%0.28536%0.363SS..THydrogen-bonded Turntrans-62.5129.3-176.7179.70000110R483 Q492R483-V490 WeakPolarHBondContact CD-O 3.42Å; V490-Q492 PolarHBondContact O-N 3.31Å
491N80.2Confident84.9Confident54 Ų5480.5 Ų80.529%0.28938%0.384SS..THydrogen-bonded Turntrans51.121.9179-53.5-7.9000116.5V326 E330 E489 R493 V494 L495V326-N491 HydrophobicContact CG1-CB 3.88Å; E330-N491 WeakPolarHBondContact OE1-CB 3.3Å; E330-N491 VanDerWaalsContact OE1-CG 3.23Å; E330-N491 PolarHBondContact OE1-ND2 3.34Å; E330-N491 PolarHBondContact OE2-ND2 2.92Å; E489-N491 PolarHBondContact O-N 3.28Å; N491-R493 VanDerWaalsContact C-N 3.27Å; N491-R493 PolarHBondContact O-N 3.36Å; N491-V494 HydrophobicContact CB-CB 4.44Å; N491-V494 PolarHBondContact O-N 3.4Å; N491-V494 VanDerWaalsContact O-N 3.09Å; N491-L495 PolarHBondContact O-N 3.11Å; N491-L495 VanDerWaalsContact O-N 3.09Å
492Q85.2Confident85.2Confident71 Ų7175.6 Ų75.633%0.33237%0.365SS..Hα-helixtrans-53.6-45.2179.9176.3173.8-7.100112.4E489 V490 V494 L495 D496E489-Q492 PolarHBondContact O-N 2.77Å; V490-Q492 PolarHBondContact O-N 3.31Å; Q492-V494 VanDerWaalsContact C-N 3.31Å; Q492-V494 PolarHBondContact O-N 2.95Å; Q492-L495 PolarHBondContact O-N 2.89Å; Q492-D496 WeakPolarHBondContact CG-OD2 3.44Å; Q492-D496 WeakPolarHBondContact O-CB 3.32Å; Q492-D496 VanDerWaalsContact O-CG 3.22Å; Q492-D496 PolarHBondContact O-N 2.82Å
493R86.8Confident85.5Confident202 Ų20274.3 Ų74.376%0.76236%0.355SS*.Hα-helixtrans-60.4-40179.8-65.6-174.5-174.8174.61.2112.9N491 D496 E497N491-R493 VanDerWaalsContact C-N 3.27Å; N491-R493 PolarHBondContact O-N 3.36Å; R493-D496 PolarHBondContact O-N 2.92Å; R493-E497 WeakPolarHBondContact O-CB 3.21Å; R493-E497 VanDerWaalsContact O-CG 3.27Å; R493-E497 WeakPolarHBondContact O-CG 3.33Å; R493-E497 PolarHBondContact O-N 2.65Å
494V87Confident85.8Confident57 Ų5780 Ų8035%0.34538%0.383SS..Hα-helixtrans-68.6-42.6-179.5-1750000110.1E330 N491 Q492 D496 E497 C498E330-V494 HydrophobicContact CB-CG1 4.44Å; E330-V494 HydrophobicContact CG-CB 4.46Å; E330-V494 HydrophobicContact CG-CG1 3.82Å; N491-V494 HydrophobicContact CB-CB 4.44Å; N491-V494 PolarHBondContact O-N 3.4Å; N491-V494 VanDerWaalsContact O-N 3.09Å; Q492-V494 VanDerWaalsContact C-N 3.31Å; Q492-V494 PolarHBondContact O-N 2.95Å; V494-D496 VanDerWaalsContact C-N 3.34Å; V494-D496 PolarHBondContact O-N 3.46Å; V494-E497 PolarHBondContact O-N 3.49Å; V494-C498 WeakPolarHBondContact O-CB 3.28Å; V494-C498 PolarHBondContact O-N 3.37Å; V494-C498 PolarHBondContact O-SG 3.49Å
495L86.8Confident86.1Confident0 Ų077.3 Ų77.30%037%0.369CS..Hα-helixtrans-63-41.2175.4-65.9174.5000112.1V326 E330 L476 E480 N491 Q492 R499V326-L495 HydrophobicContact CG1-CD1 4.04Å; V326-L495 HydrophobicContact CG1-CD2 4.4Å; V326-L495 HydrophobicContact CG1-CG 4.38Å; E330-L495 HydrophobicContact CG-CD2 3.87Å; L476-L495 HydrophobicContact CD2-CD2 3.71Å; E480-L495 HydrophobicContact CG-CD1 3.94Å; N491-L495 PolarHBondContact O-N 3.11Å; N491-L495 VanDerWaalsContact O-N 3.09Å; Q492-L495 PolarHBondContact O-N 2.89Å; L495-R499 VanDerWaalsContact O-CB 3.32Å; L495-R499 WeakPolarHBondContact O-CB 3.37Å; L495-R499 PolarHBondContact O-N 3.39Å
496D87.8Confident86.6Confident71 Ų7172 Ų7238%0.3834%0.341SS..Hα-helixtrans-64.3-43.1176.5-68.8-28.7000111.1Q492 R493 V494 S500Q492-D496 WeakPolarHBondContact CG-OD2 3.44Å; Q492-D496 WeakPolarHBondContact O-CB 3.32Å; Q492-D496 VanDerWaalsContact O-CG 3.22Å; Q492-D496 PolarHBondContact O-N 2.82Å; R493-D496 PolarHBondContact O-N 2.92Å; V494-D496 VanDerWaalsContact C-N 3.34Å; V494-D496 PolarHBondContact O-N 3.46Å; D496-S500 WeakPolarHBondContact O-CB 3.35Å; D496-S500 PolarHBondContact O-N 2.98Å
497E90.4Very high87Confident119 Ų11970.6 Ų70.656%0.55634%0.339SS*.Hα-helixtrans-63.5-53.2175.6-76.6169.6-169.100111.8R493 V494 R499 S500 E501R493-E497 WeakPolarHBondContact O-CB 3.21Å; R493-E497 VanDerWaalsContact O-CG 3.27Å; R493-E497 WeakPolarHBondContact O-CG 3.33Å; R493-E497 PolarHBondContact O-N 2.65Å; V494-E497 PolarHBondContact O-N 3.49Å; E497-R499 VanDerWaalsContact C-N 3.26Å; E497-R499 PolarHBondContact O-N 3.35Å; E497-S500 WeakPolarHBondContact O-CB 3.45Å; E497-S500 PolarHBondContact O-N 3.29Å; E497-E501 PolarHBondContact O-N 2.94Å
498C88Confident87.5Confident14 Ų1463.8 Ų63.810%0.09532%0.317CS..Hα-helixtrans-55.8-42.5177.1-71.50000111.5A333 L476 V494 E501 L502A333-C498 HydrophobicContact CB-CB 4.09Å; L476-C498 HydrophobicContact CD1-CB 4.49Å; V494-C498 WeakPolarHBondContact O-CB 3.28Å; V494-C498 PolarHBondContact O-N 3.37Å; V494-C498 PolarHBondContact O-SG 3.49Å; C498-E501 PolarHBondContact O-N 3.34Å; C498-L502 WeakPolarHBondContact O-CB 3.36Å; C498-L502 WeakPolarHBondContact O-CG 3.42Å; C498-L502 PolarHBondContact O-N 3.41Å
499R90.5Very high88Confident7 Ų762.3 Ų62.33%0.02631%0.308CS..Hα-helixtrans-64.9-45.6176.4-178.8173.6-73103.9-14.1111.5L473 L476 T477 E480 L495 E497 E501 L502 L503 C680 G681L473-R499 HydrophobicContact CD2-CG 3.94Å; L476-R499 HydrophobicContact CD1-CB 4.35Å; T477-R499 PolarHBondContact OG1-NH2 3.41Å; E480-R499 VanDerWaalsContact CD-NH2 3.3Å; E480-R499 IonicContact OE1-CZ 3.62Å; E480-R499 IonicContact OE1-NH1 2.74Å; E480-R499 PolarHBondContact OE1-NH1 2.98Å; E480-R499 IonicContact OE1-NH2 2.7Å; E480-R499 IonicContact OE2-CZ 2.65Å; E480-R499 IonicContact OE2-NH1 2.92Å; E480-R499 PolarHBondContact OE2-NH1 2.94Å; E480-R499 IonicContact OE2-NH2 3.35Å; E480-R499 PolarHBondContact OE2-NH2 3.43Å; L495-R499 VanDerWaalsContact O-CB 3.32Å; L495-R499 WeakPolarHBondContact O-CB 3.37Å; L495-R499 PolarHBondContact O-N 3.39Å; E497-R499 VanDerWaalsContact C-N 3.26Å; E497-R499 PolarHBondContact O-N 3.35Å; R499-E501 VanDerWaalsContact C-N 3.26Å; R499-E501 PolarHBondContact O-N 3.11Å; R499-L502 PolarHBondContact O-N 2.94Å; R499-L503 HydrophobicContact CG-CD1 3.88Å; R499-L503 HydrophobicContact CG-CG 4.07Å; R499-L503 WeakPolarHBondContact O-CB 3.2Å; R499-L503 VanDerWaalsContact O-CG 3.26Å; R499-L503 WeakPolarHBondContact O-CG 3.4Å; R499-L503 PolarHBondContact O-N 3.4Å; R499-C680 WeakPolarHBondContact CD-O 3.36Å; R499-G681 PolarHBondContact NE-O 3.47Å
500S91.1Very high88.5Confident75 Ų7556.2 Ų56.252%0.52428%0.28SS..Hα-helixtrans-57.5-42.9178.8-171.80000111.5D496 E497 L503 Q504D496-S500 WeakPolarHBondContact O-CB 3.35Å; D496-S500 PolarHBondContact O-N 2.98Å; E497-S500 WeakPolarHBondContact O-CB 3.45Å; E497-S500 PolarHBondContact O-N 3.29Å; S500-L503 PolarHBondContact O-N 3.05Å; S500-Q504 WeakPolarHBondContact O-CB 3.38Å; S500-Q504 PolarHBondContact O-N 2.76Å
501E91.8Very high89.2Confident100 Ų10058.1 Ų58.147%0.46729%0.289SS..Hα-helixtrans-64.6-46.3177.2-70.2-177.4-172.500112.2I337 E497 C498 R499 L503 Q504 L505I337-E501 HydrophobicContact CD1-CB 3.89Å; I337-E501 WeakPolarHBondContact CD1-OE2 3.36Å; E497-E501 PolarHBondContact O-N 2.94Å; C498-E501 PolarHBondContact O-N 3.34Å; R499-E501 VanDerWaalsContact C-N 3.26Å; R499-E501 PolarHBondContact O-N 3.11Å; E501-L503 VanDerWaalsContact C-N 3.33Å; E501-L503 PolarHBondContact O-N 3.13Å; E501-Q504 PolarHBondContact O-N 3.47Å; E501-L505 WeakPolarHBondContact O-CB 3.47Å; E501-L505 PolarHBondContact O-N 3.25Å
502L91.7Very high89.6Confident0 Ų057.6 Ų57.60%029%0.285CS..Hα-helixtrans-61.9-39.5176.9-74171.8000112.4A333 I337 I469 E472 L473 L476 C498 R499 L505 L506A333-L502 HydrophobicContact CB-CD1 4.21Å; I337-L502 HydrophobicContact CD1-CD2 4.1Å; I337-L502 HydrophobicContact CD1-CG 4.12Å; I337-L502 HydrophobicContact CG1-CD2 3.63Å; I337-L502 HydrophobicContact CG1-CG 4.21Å; I469-L502 HydrophobicContact CG1-CD2 4.32Å; I469-L502 HydrophobicContact CG2-CB 4.14Å; I469-L502 HydrophobicContact CG2-CD2 4.18Å; E472-L502 HydrophobicContact CB-CD1 4.23Å; E472-L502 HydrophobicContact CG-CD1 3.66Å; L473-L502 HydrophobicContact CD2-CB 4.03Å; L473-L502 HydrophobicContact CD2-CD1 4.31Å; L476-L502 HydrophobicContact CD1-CD1 3.47Å; L476-L502 VanDerWaalsContact CD1-CD1 3.47Å; C498-L502 WeakPolarHBondContact O-CB 3.36Å; C498-L502 WeakPolarHBondContact O-CG 3.42Å; C498-L502 PolarHBondContact O-N 3.41Å; R499-L502 PolarHBondContact O-N 2.94Å; L502-L505 PolarHBondContact O-N 2.91Å; L502-L506 VanDerWaalsContact O-CB 3.28Å; L502-L506 WeakPolarHBondContact O-CB 3.33Å; L502-L506 PolarHBondContact O-N 2.69Å
503L90.7Very high89.9Confident13 Ų1355.6 Ų55.67%0.06828%0.275CS..Hα-helixtrans-69.1-37.5178-69.6176.5000112.6L473 R499 S500 E501 L505 L506 T507 I676 L678 P679L473-L503 HydrophobicContact CD1-CD2 3.8Å; L473-L503 HydrophobicContact CD2-CD2 3.99Å; L473-L503 HydrophobicContact CD2-CG 4.28Å; R499-L503 HydrophobicContact CG-CD1 3.88Å; R499-L503 HydrophobicContact CG-CG 4.07Å; R499-L503 WeakPolarHBondContact O-CB 3.2Å; R499-L503 VanDerWaalsContact O-CG 3.26Å; R499-L503 WeakPolarHBondContact O-CG 3.4Å; R499-L503 PolarHBondContact O-N 3.4Å; S500-L503 PolarHBondContact O-N 3.05Å; E501-L503 VanDerWaalsContact C-N 3.33Å; E501-L503 PolarHBondContact O-N 3.13Å; L503-L505 VanDerWaalsContact C-N 3.35Å; L503-L506 PolarHBondContact O-N 3.23Å; L503-T507 WeakPolarHBondContact O-CB 3.38Å; L503-T507 PolarHBondContact O-N 3.41Å; L503-T507 PolarHBondContact O-OG1 2.73Å; L503-I676 HydrophobicContact CD2-CG2 4.4Å; L503-L678 HydrophobicContact CD1-CD2 4.35Å; L503-L678 HydrophobicContact CD2-CD2 3.74Å; L503-L678 HydrophobicContact CG-CD2 4.47Å; L503-P679 WeakPolarHBondContact CD1-O 3.41Å
504Q91.1Very high90.1Very high144 Ų14451 Ų5167%0.67326%0.262SS*.Hα-helixtrans-63-45.8174.4-174.9176.27.600110.5S500 E501 T507 Q508S500-Q504 WeakPolarHBondContact O-CB 3.38Å; S500-Q504 PolarHBondContact O-N 2.76Å; E501-Q504 PolarHBondContact O-N 3.47Å; Q504-T507 PolarHBondContact O-N 2.92Å; Q504-Q508 PolarHBondContact O-N 2.96Å; Q504-Q508 VanDerWaalsContact O-N 3.08Å
505L90.4Very high90.2Very high17 Ų1752.6 Ų52.69%0.08927%0.269CS..Hα-helixtrans-63.9-43.7176.8-175.360.7000111.8I340 I469 E501 L502 L503 T507 Q508 L509I340-L505 HydrophobicContact CB-CD2 4.11Å; I340-L505 HydrophobicContact CD1-CD2 4.03Å; I340-L505 HydrophobicContact CG2-CD1 4.21Å; I340-L505 HydrophobicContact CG2-CD2 3.79Å; I340-L505 HydrophobicContact CG2-CG 4.37Å; I469-L505 HydrophobicContact CD1-CB 4.2Å; I469-L505 HydrophobicContact CD1-CD2 3.74Å; I469-L505 HydrophobicContact CD1-CG 3.69Å; E501-L505 WeakPolarHBondContact O-CB 3.47Å; E501-L505 PolarHBondContact O-N 3.25Å; L502-L505 PolarHBondContact O-N 2.91Å; L503-L505 VanDerWaalsContact C-N 3.35Å; L505-T507 VanDerWaalsContact C-N 3.34Å; L505-T507 PolarHBondContact O-N 3.44Å; L505-Q508 PolarHBondContact O-N 2.88Å; L505-L509 HydrophobicContact CD1-CG 4.49Å; L505-L509 HydrophobicContact CG-CD1 4.29Å; L505-L509 WeakPolarHBondContact O-CG 3.31Å; L505-L509 PolarHBondContact O-N 2.94Å
506L91.5Very high90.4Very high0 Ų053.3 Ų53.30%027%0.272CS..Hα-helixtrans-59.7-45.1176.3-179.360.2000111.7I466 I469 L473 L502 L503 Q508 L509 L510 I676 I707I466-L506 HydrophobicContact CG1-CD1 4.38Å; I466-L506 HydrophobicContact CG2-CD1 4.02Å; I469-L506 HydrophobicContact CG2-CB 3.96Å; I469-L506 HydrophobicContact CG2-CD1 4.38Å; I469-L506 HydrophobicContact CG2-CD2 4.48Å; L473-L506 HydrophobicContact CD1-CD2 3.8Å; L502-L506 VanDerWaalsContact O-CB 3.28Å; L502-L506 WeakPolarHBondContact O-CB 3.33Å; L502-L506 PolarHBondContact O-N 2.69Å; L503-L506 PolarHBondContact O-N 3.23Å; L506-Q508 VanDerWaalsContact C-N 3.32Å; L506-Q508 PolarHBondContact O-N 2.84Å; L506-L509 PolarHBondContact O-N 3.27Å; L506-L510 HydrophobicContact CD1-CD1 4.22Å; L506-L510 HydrophobicContact CD1-CG 4.21Å; L506-L510 HydrophobicContact CG-CD1 4.01Å; L506-L510 HydrophobicContact CG-CG 4.43Å; L506-L510 WeakPolarHBondContact O-CB 3.39Å; L506-L510 VanDerWaalsContact O-CG 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.37Å; L506-L510 PolarHBondContact O-N 2.89Å; L506-I676 HydrophobicContact CD2-CD1 4.03Å; L506-I707 HydrophobicContact CD2-CD1 4.23Å
507T90.2Very high90.4Very high58 Ų5853.5 Ų53.536%0.35627%0.27SS..Hα-helixtrans-60.5-45.5178.6-54.90000110.4L503 Q504 L505 L509 L510 D511L503-T507 WeakPolarHBondContact O-CB 3.38Å; L503-T507 PolarHBondContact O-N 3.41Å; L503-T507 PolarHBondContact O-OG1 2.73Å; Q504-T507 PolarHBondContact O-N 2.92Å; L505-T507 VanDerWaalsContact C-N 3.34Å; L505-T507 PolarHBondContact O-N 3.44Å; T507-L509 PolarHBondContact O-N 2.91Å; T507-L510 PolarHBondContact O-N 2.93Å; T507-D511 PolarHBondContact O-N 2.79Å; T507-D511 VanDerWaalsContact O-N 3.08Å
508Q90.5Very high90.4Very high94 Ų9452.9 Ų52.944%0.43927%0.266SS..Hα-helixtrans-60.3-45.2175.9-174.5-172.6-24.400112.1Q504 L505 L506 L510 D511 E512Q504-Q508 PolarHBondContact O-N 2.96Å; Q504-Q508 VanDerWaalsContact O-N 3.08Å; L505-Q508 PolarHBondContact O-N 2.88Å; L506-Q508 VanDerWaalsContact C-N 3.32Å; L506-Q508 PolarHBondContact O-N 2.84Å; Q508-L510 PolarHBondContact O-N 2.8Å; Q508-D511 PolarHBondContact O-N 3.29Å; Q508-E512 PolarHBondContact NE2-OE1 2.92Å; Q508-E512 WeakPolarHBondContact O-CG 3.41Å; Q508-E512 PolarHBondContact O-N 3.38Å
509L89.9Confident90.4Very high1 Ų155.5 Ų55.51%0.00528%0.277CS..Hα-helixtrans-67.4-34.6-179.8-68.6176.9000112.7L462 E465 I466 I469 L505 L506 T507 E512 Q513L462-L509 HydrophobicContact CD2-CD2 3.68Å; E465-L509 HydrophobicContact CB-CD1 3.77Å; E465-L509 WeakPolarHBondContact OE2-CD2 3.49Å; I466-L509 HydrophobicContact CD1-CB 4.38Å; I466-L509 HydrophobicContact CG1-CB 3.89Å; I466-L509 HydrophobicContact CG1-CD1 4.43Å; I469-L509 HydrophobicContact CD1-CD1 3.54Å; L505-L509 HydrophobicContact CD1-CG 4.49Å; L505-L509 HydrophobicContact CG-CD1 4.29Å; L505-L509 WeakPolarHBondContact O-CG 3.31Å; L505-L509 PolarHBondContact O-N 2.94Å; L506-L509 PolarHBondContact O-N 3.27Å; T507-L509 PolarHBondContact O-N 2.91Å; L509-E512 PolarHBondContact O-N 3.03Å; L509-Q513 VanDerWaalsContact O-CB 3.26Å; L509-Q513 WeakPolarHBondContact O-CB 3.36Å; L509-Q513 PolarHBondContact O-N 2.77Å
510L89.9Confident90.2Very high36 Ų3655.6 Ų55.619%0.18828%0.278CS..Hα-helixtrans-66.3-41.2174.6-73.9171000111.6I466 L506 T507 Q508 Q513 Q514 I707I466-L510 HydrophobicContact CD1-CD2 4.11Å; L506-L510 HydrophobicContact CD1-CD1 4.22Å; L506-L510 HydrophobicContact CD1-CG 4.21Å; L506-L510 HydrophobicContact CG-CD1 4.01Å; L506-L510 HydrophobicContact CG-CG 4.43Å; L506-L510 WeakPolarHBondContact O-CB 3.39Å; L506-L510 VanDerWaalsContact O-CG 3.32Å; L506-L510 WeakPolarHBondContact O-CG 3.37Å; L506-L510 PolarHBondContact O-N 2.89Å; T507-L510 PolarHBondContact O-N 2.93Å; Q508-L510 PolarHBondContact O-N 2.8Å; L510-Q513 PolarHBondContact O-N 3.35Å; L510-Q514 WeakPolarHBondContact O-CB 3.26Å; L510-Q514 PolarHBondContact O-N 3.26Å; L510-I707 HydrophobicContact CD1-CD1 3.61Å; L510-I707 HydrophobicContact CD1-CG1 4.29Å; L510-I707 HydrophobicContact CD1-CG2 4.48Å
511D91.3Very high90.1Very high88 Ų8858.9 Ų58.947%0.47128%0.279SS..Hα-helixtrans-63.4-46.4174.2-69.9-21.7000110.7T507 Q508 Q513 Q514 D515T507-D511 PolarHBondContact O-N 2.79Å; T507-D511 VanDerWaalsContact O-N 3.08Å; Q508-D511 PolarHBondContact O-N 3.29Å; D511-Q513 VanDerWaalsContact C-N 3.34Å; D511-Q513 PolarHBondContact O-N 3.19Å; D511-Q514 PolarHBondContact O-N 2.96Å; D511-D515 PolarHBondContact O-N 3.04Å
512E89.9Confident89.9Confident43 Ų4359.3 Ų59.320%0.20128%0.279CS..Hα-helixtrans-60.9-40.4175.7-73.5-177.3-155.500112.2L462 Q508 L509 D515 R516L462-E512 HydrophobicContact CD1-CB 4.32Å; L462-E512 HydrophobicContact CD2-CB 4.06Å; Q508-E512 PolarHBondContact NE2-OE1 2.92Å; Q508-E512 WeakPolarHBondContact O-CG 3.41Å; Q508-E512 PolarHBondContact O-N 3.38Å; L509-E512 PolarHBondContact O-N 3.03Å; E512-D515 PolarHBondContact O-N 2.94Å; E512-R516 WeakPolarHBondContact O-CB 3.25Å; E512-R516 PolarHBondContact O-N 2.97Å
513Q90Very high89.4Confident29 Ų2961 Ų6114%0.13629%0.285CS..Hα-helixtrans-63.3-45.5175.4-173.8-166.149.800110.9L462 I466 L509 L510 D511 D515 R516 Q517L462-Q513 HydrophobicContact CD1-CB 4.42Å; I466-Q513 HydrophobicContact CD1-CB 4.11Å; I466-Q513 HydrophobicContact CD1-CG 4.34Å; L509-Q513 VanDerWaalsContact O-CB 3.26Å; L509-Q513 WeakPolarHBondContact O-CB 3.36Å; L509-Q513 PolarHBondContact O-N 2.77Å; L510-Q513 PolarHBondContact O-N 3.35Å; D511-Q513 VanDerWaalsContact C-N 3.34Å; D511-Q513 PolarHBondContact O-N 3.19Å; Q513-D515 VanDerWaalsContact C-N 3.32Å; Q513-D515 PolarHBondContact O-N 3Å; Q513-R516 PolarHBondContact O-N 3.2Å; Q513-Q517 WeakPolarHBondContact O-CB 3.41Å; Q513-Q517 VanDerWaalsContact O-CG 3.28Å; Q513-Q517 WeakPolarHBondContact O-CG 3.1Å; Q513-Q517 PolarHBondContact O-N 3Å
514Q90.8Very high89.2Confident104 Ų10461.3 Ų61.349%0.48629%0.287SS..Hα-helixtrans-62.8-41.2179-167.2-174.3-2.400111.3L510 D511 Q517 K518L510-Q514 WeakPolarHBondContact O-CB 3.26Å; L510-Q514 PolarHBondContact O-N 3.26Å; D511-Q514 PolarHBondContact O-N 2.96Å; Q514-Q517 PolarHBondContact O-N 3.15Å; Q514-K518 WeakPolarHBondContact O-CG 3.32Å; Q514-K518 PolarHBondContact O-N 2.95Å; Q514-K518 VanDerWaalsContact O-N 3.07Å
515D90.9Very high88.9Confident92 Ų9259.6 Ų59.649%0.49228%0.279SS..Hα-helixtrans-69.7-40.6178.2-74.6-15.3000112.2D511 E512 Q513 Q517 K518 E519D511-D515 PolarHBondContact O-N 3.04Å; E512-D515 PolarHBondContact O-N 2.94Å; Q513-D515 VanDerWaalsContact C-N 3.32Å; Q513-D515 PolarHBondContact O-N 3Å; D515-Q517 VanDerWaalsContact C-N 3.3Å; D515-Q517 PolarHBondContact O-N 3.15Å; D515-K518 PolarHBondContact O-N 3.4Å; D515-K518 IonicContact OD1-NZ 2.73Å; D515-K518 PolarHBondContact OD1-NZ 3.12Å; D515-E519 PolarHBondContact O-N 2.79Å
516R89.3Confident88.7Confident14 Ų1462.6 Ų62.65%0.05329%0.293CS..Hα-helixtrans-61.8-39.4173-17454.3171.8-170.26.6111.7D355 D456 Q458 L462 E512 Q513 K518 E519 L520D355-R516 IonicContact OD1-CZ 3.37Å; D355-R516 VanDerWaalsContact OD1-CZ 3.27Å; D355-R516 IonicContact OD1-NH1 2.79Å; D355-R516 PolarHBondContact OD1-NH1 3.44Å; D355-R516 IonicContact OD1-NH2 3.2Å; D355-R516 PolarHBondContact OD1-NH2 3.25Å; D355-R516 IonicContact OD2-NH1 3.04Å; D355-R516 PolarHBondContact OD2-NH1 3.27Å; D456-R516 IonicContact OD1-CZ 3.08Å; D456-R516 IonicContact OD1-NE 2.79Å; D456-R516 IonicContact OD1-NH2 3.38Å; D456-R516 PolarHBondContact OD1-NH2 3.45Å; D456-R516 IonicContact OD2-CZ 3.75Å; D456-R516 IonicContact OD2-NE 2.92Å; D456-R516 PolarHBondContact OD2-NE 2.85Å; D456-R516 IonicContact OD2-NH2 3.32Å; Q458-R516 HydrophobicContact CG-CG 4.33Å; Q458-R516 VanDerWaalsContact OE1-NE 3.16Å; Q458-R516 VanDerWaalsContact OE1-NH1 3.1Å; L462-R516 HydrophobicContact CD1-CB 4.31Å; E512-R516 WeakPolarHBondContact O-CB 3.25Å; E512-R516 PolarHBondContact O-N 2.97Å; Q513-R516 PolarHBondContact O-N 3.2Å; R516-K518 PolarHBondContact O-N 2.9Å; R516-E519 PolarHBondContact O-N 3.43Å; R516-L520 HydrophobicContact CG-CD1 4.26Å; R516-L520 HydrophobicContact CG-CG 4.48Å; R516-L520 WeakPolarHBondContact O-CG 3.4Å; R516-L520 PolarHBondContact O-N 2.88Å
517Q88.9Confident88.2Confident75 Ų7563 Ų6335%0.3529%0.294SS..Hα-helixtrans-62.8-40.2175-75.4178.710.500112.5Q513 Q514 D515 R521Q513-Q517 WeakPolarHBondContact O-CB 3.41Å; Q513-Q517 VanDerWaalsContact O-CG 3.28Å; Q513-Q517 WeakPolarHBondContact O-CG 3.1Å; Q513-Q517 PolarHBondContact O-N 3Å; Q514-Q517 PolarHBondContact O-N 3.15Å; D515-Q517 VanDerWaalsContact C-N 3.3Å; D515-Q517 PolarHBondContact O-N 3.15Å; Q517-R521 VanDerWaalsContact O-CG 3.29Å; Q517-R521 WeakPolarHBondContact O-CG 3.43Å; Q517-R521 PolarHBondContact O-N 2.86Å
518K89.9Confident87.9Confident107 Ų10763.6 Ų63.647%0.46529%0.293SS..Hα-helixtrans-63.7-44.4174.8-69169.5-163.4151.40111.2Q514 D515 R516 R521 K522Q514-K518 WeakPolarHBondContact O-CG 3.32Å; Q514-K518 PolarHBondContact O-N 2.95Å; Q514-K518 VanDerWaalsContact O-N 3.07Å; D515-K518 PolarHBondContact O-N 3.4Å; D515-K518 IonicContact OD1-NZ 2.73Å; D515-K518 PolarHBondContact OD1-NZ 3.12Å; R516-K518 PolarHBondContact O-N 2.9Å; K518-R521 PolarHBondContact O-N 3.07Å; K518-K522 PolarHBondContact O-N 2.87Å
519E87.7Confident87.6Confident68 Ų6866.5 Ų66.532%0.31831%0.307SS..Hα-helixtrans-61.6-46.9178.7178.760.3-164.500111.5D515 R516 R521 K522 R523D515-E519 PolarHBondContact O-N 2.79Å; R516-E519 PolarHBondContact O-N 3.43Å; E519-R521 VanDerWaalsContact C-N 3.31Å; E519-R521 PolarHBondContact O-N 3.36Å; E519-K522 PolarHBondContact O-N 2.89Å; E519-R523 WeakPolarHBondContact O-CG 3.24Å; E519-R523 PolarHBondContact O-N 2.95Å; E519-R523 IonicContact OE1-CZ 3.7Å; E519-R523 IonicContact OE1-NE 2.81Å; E519-R523 PolarHBondContact OE1-NE 3.14Å; E519-R523 IonicContact OE1-NH2 3.64Å; E519-R523 PolarHBondContact OE1-NH2 3.32Å; E519-R523 VanDerWaalsContact OE1-NH2 3.08Å
520L86.8Confident87.1Confident10 Ų1070.6 Ų70.65%0.05233%0.326CS..Hα-helixtrans-62.7-37.6176.8-69.8175.8000112.2Q452 R453 R516 R523 L524Q452-L520 HydrophobicContact CG-CD2 4.41Å; R453-L520 HydrophobicContact CG-CD1 4.07Å; R516-L520 HydrophobicContact CG-CD1 4.26Å; R516-L520 HydrophobicContact CG-CG 4.48Å; R516-L520 WeakPolarHBondContact O-CG 3.4Å; R516-L520 PolarHBondContact O-N 2.88Å; L520-R523 PolarHBondContact O-N 2.85Å; L520-L524 PolarHBondContact O-N 3.22Å
521R87.9Confident86.5Confident143 Ų14371.9 Ų71.954%0.5433%0.33SS..Hα-helixtrans-64.2-44.5173.8-75.7176.9-170.8-177.74.8111.9Q517 K518 E519 R523 L524 E525Q517-R521 VanDerWaalsContact O-CG 3.29Å; Q517-R521 WeakPolarHBondContact O-CG 3.43Å; Q517-R521 PolarHBondContact O-N 2.86Å; K518-R521 PolarHBondContact O-N 3.07Å; E519-R521 VanDerWaalsContact C-N 3.31Å; E519-R521 PolarHBondContact O-N 3.36Å; R521-R523 VanDerWaalsContact C-N 3.34Å; R521-R523 PolarHBondContact O-N 3.36Å; R521-L524 WeakPolarHBondContact O-CB 3.14Å; R521-L524 PolarHBondContact O-N 3.27Å; R521-L524 VanDerWaalsContact O-N 3.16Å; R521-E525 PolarHBondContact O-N 3.21Å
522K87.8Confident85.7Confident109 Ų10974.6 Ų74.647%0.47434%0.338SS..Hα-helixtrans-61.3-43.4176.9-172.3-171.7172.9-149.80111.4K518 E519 L524 E525 E526K518-K522 PolarHBondContact O-N 2.87Å; E519-K522 PolarHBondContact O-N 2.89Å; K522-L524 VanDerWaalsContact C-N 3.29Å; K522-L524 PolarHBondContact O-N 3.37Å; K522-E525 WeakPolarHBondContact O-CB 3.32Å; K522-E525 PolarHBondContact O-N 3.49Å; K522-E525 VanDerWaalsContact O-N 3.17Å; K522-E526 VanDerWaalsContact CE-OE1 3.22Å; K522-E526 WeakPolarHBondContact CE-OE1 3.31Å; K522-E526 IonicContact NZ-OE1 2.55Å; K522-E526 WeakPolarHBondContact O-CG 3.06Å; K522-E526 PolarHBondContact O-N 3.07Å
523R82.6Confident84.8Confident35 Ų3580.4 Ų80.413%0.13237%0.37CS..Hα-helixtrans-61.2-38.2174.4-70.9-178.5-169.7172.81.8112.3D355 E519 L520 R521 E525 E526 I527D355-R523 IonicContact OD1-CZ 3.81Å; D355-R523 IonicContact OD1-NH1 2.79Å; D355-R523 PolarHBondContact OD1-NH1 3.32Å; D355-R523 IonicContact OD1-NH2 3.52Å; D355-R523 PolarHBondContact OD1-NH2 2.9Å; D355-R523 IonicContact OD2-NH2 2.74Å; E519-R523 WeakPolarHBondContact O-CG 3.24Å; E519-R523 PolarHBondContact O-N 2.95Å; E519-R523 IonicContact OE1-CZ 3.7Å; E519-R523 IonicContact OE1-NE 2.81Å; E519-R523 PolarHBondContact OE1-NE 3.14Å; E519-R523 IonicContact OE1-NH2 3.64Å; E519-R523 PolarHBondContact OE1-NH2 3.32Å; E519-R523 VanDerWaalsContact OE1-NH2 3.08Å; L520-R523 PolarHBondContact O-N 2.85Å; R521-R523 VanDerWaalsContact C-N 3.34Å; R521-R523 PolarHBondContact O-N 3.36Å; R523-E525 VanDerWaalsContact C-N 3.32Å; R523-E525 PolarHBondContact O-N 3.37Å; R523-E526 PolarHBondContact O-N 3.3Å; R523-I527 VanDerWaalsContact O-CG1 3.28Å; R523-I527 WeakPolarHBondContact O-CG1 3.12Å; R523-I527 PolarHBondContact O-N 3.32Å
524L85.7Confident83.7Confident21 Ų2186.6 Ų86.611%0.1140%0.404CS..Hα-helixtrans-62-40.8175.3-172.569.4000111.7K445 F448 A449 L520 R521 K522 I527 E528 W539K445-L524 HydrophobicContact CG-CD1 4.37Å; K445-L524 HydrophobicContact CG-CD2 4.18Å; K445-L524 HydrophobicContact CG-CG 4.47Å; F448-L524 HydrophobicContact CD1-CD1 3.49Å; F448-L524 VanDerWaalsContact CD1-CD1 3.49Å; F448-L524 HydrophobicContact CE1-CD1 3.7Å; A449-L524 HydrophobicContact CB-CD2 3.94Å; L520-L524 PolarHBondContact O-N 3.22Å; R521-L524 WeakPolarHBondContact O-CB 3.14Å; R521-L524 PolarHBondContact O-N 3.27Å; R521-L524 VanDerWaalsContact O-N 3.16Å; K522-L524 VanDerWaalsContact C-N 3.29Å; K522-L524 PolarHBondContact O-N 3.37Å; L524-I527 PolarHBondContact O-N 3.21Å; L524-E528 PolarHBondContact O-N 3.4Å; L524-W539 HydrophobicContact CD1-CH2 3.73Å; L524-W539 HydrophobicContact CD1-CZ3 3.58Å; L524-W539 HydrophobicContact CG-CH2 4.31Å
525E85.6Confident82.7Confident107 Ų10783.3 Ų83.350%0.539%0.389SS..Hα-helixtrans-65.6-41.7174.2-67.4170.8-172.800111.8R521 K522 R523 I527 E528 Q529R521-E525 PolarHBondContact O-N 3.21Å; K522-E525 WeakPolarHBondContact O-CB 3.32Å; K522-E525 PolarHBondContact O-N 3.49Å; K522-E525 VanDerWaalsContact O-N 3.17Å; R523-E525 VanDerWaalsContact C-N 3.32Å; R523-E525 PolarHBondContact O-N 3.37Å; E525-I527 VanDerWaalsContact C-N 3.34Å; E525-I527 PolarHBondContact O-N 3.4Å; E525-E528 PolarHBondContact O-N 3.42Å; E525-Q529 VanDerWaalsContact O-CG 3.32Å; E525-Q529 WeakPolarHBondContact O-CG 3.28Å; E525-Q529 PolarHBondContact O-N 3.31Å
526E85.2Confident81.7Confident81 Ų8186.1 Ų86.138%0.37940%0.403SS..Hα-helixtrans-63.1-38.2176.3-71.2171.3-175.200112.2K522 R523 Q530K522-E526 VanDerWaalsContact CE-OE1 3.22Å; K522-E526 WeakPolarHBondContact CE-OE1 3.31Å; K522-E526 IonicContact NZ-OE1 2.55Å; K522-E526 WeakPolarHBondContact O-CG 3.06Å; K522-E526 PolarHBondContact O-N 3.07Å; R523-E526 PolarHBondContact O-N 3.3Å; E526-Q530 WeakPolarHBondContact O-CG 3.19Å
527I82.2Confident81Confident7 Ų787.3 Ų87.34%0.03641%0.41CS..Hα-helixtrans-66.2-44.8174.1-68.6166.1000110.2F362 F448 R523 L524 E525 Q529 Q530 F538 W539 Q542F362-I527 HydrophobicContact CB-CD1 4.47Å; F362-I527 HydrophobicContact CB-CG1 4.25Å; F362-I527 HydrophobicContact CD1-CD1 4.26Å; F362-I527 HydrophobicContact CD2-CD1 3.95Å; F362-I527 HydrophobicContact CE2-CD1 4.26Å; F362-I527 HydrophobicContact CG-CD1 3.95Å; F362-I527 HydrophobicContact CG-CG1 4.28Å; F448-I527 HydrophobicContact CE1-CD1 4.14Å; F448-I527 HydrophobicContact CZ-CD1 4.12Å; R523-I527 VanDerWaalsContact O-CG1 3.28Å; R523-I527 WeakPolarHBondContact O-CG1 3.12Å; R523-I527 PolarHBondContact O-N 3.32Å; L524-I527 PolarHBondContact O-N 3.21Å; E525-I527 VanDerWaalsContact C-N 3.34Å; E525-I527 PolarHBondContact O-N 3.4Å; I527-Q529 VanDerWaalsContact C-N 3.3Å; I527-Q529 PolarHBondContact O-N 3.09Å; I527-Q530 WeakPolarHBondContact O-CB 3.25Å; I527-Q530 PolarHBondContact O-N 3.26Å; I527-Q530 VanDerWaalsContact O-N 3.09Å; I527-F538 HydrophobicContact CG2-CE1 3.87Å; I527-F538 HydrophobicContact CG2-CZ 3.69Å; I527-F538 VanDerWaalsContact O-CZ 3.25Å; I527-F538 WeakPolarHBondContact O-CZ 3.22Å; I527-W539 HydrophobicContact CG2-CH2 4.38Å; I527-W539 HydrophobicContact CG2-CZ3 4.16Å; I527-Q542 HydrophobicContact CG2-CG 4.17Å
528E83.1Confident80.7Confident72 Ų7283.9 Ų83.934%0.33639%0.394SS..Hα-helixtrans-61.4-37.4178.1-175.1171.9-13400112.4K445 L524 E525 Q530 K531 W539K445-E528 IonicContact NZ-OE1 3.08Å; K445-E528 PolarHBondContact NZ-OE1 3.11Å; K445-E528 IonicContact NZ-OE2 3.71Å; K445-E528 PolarHBondContact NZ-OE2 3.03Å; L524-E528 PolarHBondContact O-N 3.4Å; E525-E528 PolarHBondContact O-N 3.42Å; E528-Q530 PolarHBondContact O-N 2.86Å; E528-K531 WeakPolarHBondContact O-CB 3.32Å; E528-K531 PolarHBondContact O-N 3.33Å; E528-K531 VanDerWaalsContact O-N 3.08Å; E528-W539 HydrophobicContact CB-CH2 4.1Å; E528-W539 HydrophobicContact CB-CZ2 3.95Å; E528-W539 HydrophobicContact CG-CZ2 4.09Å
529Q83.2Confident80.4Confident155 Ų15578.9 Ų78.972%0.72437%0.373SS*.Hα-helixtrans-63.3-21.8175.3-73.5172.424.200113.7E525 I527 K531E525-Q529 VanDerWaalsContact O-CG 3.32Å; E525-Q529 WeakPolarHBondContact O-CG 3.28Å; E525-Q529 PolarHBondContact O-N 3.31Å; I527-Q529 VanDerWaalsContact C-N 3.3Å; I527-Q529 PolarHBondContact O-N 3.09Å; Q529-K531 VanDerWaalsContact C-N 3.29Å
530Q79.9Confident80Confident86 Ų8675.6 Ų75.640%0.40236%0.357SS..THydrogen-bonded Turntrans-80.5-10.9176.7-64.3172.526.100112.9F362 E526 I527 E528F362-Q530 PolarHBondContact O-OE1 2.9Å; E526-Q530 WeakPolarHBondContact O-CG 3.19Å; I527-Q530 WeakPolarHBondContact O-CB 3.25Å; I527-Q530 PolarHBondContact O-N 3.26Å; I527-Q530 VanDerWaalsContact O-N 3.09Å; E528-Q530 PolarHBondContact O-N 2.86Å
531K77.9Confident79.6Confident64 Ų6476.2 Ų76.228%0.27836%0.361SS..  trans-68.7133.1178.9-174.2-171.2172.1-164.50110.5E441 E528 Q529 F538E441-K531 WeakPolarHBondContact OE1-CE 3.09Å; E441-K531 IonicContact OE1-NZ 2.67Å; E441-K531 PolarHBondContact OE1-NZ 3.34Å; E441-K531 IonicContact OE2-NZ 2.76Å; E441-K531 PolarHBondContact OE2-NZ 3.33Å; E528-K531 WeakPolarHBondContact O-CB 3.32Å; E528-K531 PolarHBondContact O-N 3.33Å; E528-K531 VanDerWaalsContact O-N 3.08Å; Q529-K531 VanDerWaalsContact C-N 3.29Å; K531-F538 HydrophobicContact CB-CD1 4.26Å; K531-F538 HydrophobicContact CB-CD2 4.26Å; K531-F538 HydrophobicContact CB-CE1 4.25Å; K531-F538 HydrophobicContact CB-CE2 4.24Å; K531-F538 HydrophobicContact CB-CG 4.27Å; K531-F538 HydrophobicContact CB-CZ 4.25Å; K531-F538 HydrophobicContact CD-CB 4.45Å; K531-F538 HydrophobicContact CD-CD1 4.31Å; K531-F538 HydrophobicContact CD-CG 4.37Å; K531-F538 HydrophobicContact CG-CB 4.25Å; K531-F538 HydrophobicContact CG-CD1 4.22Å; K531-F538 HydrophobicContact CG-CD2 4.22Å; K531-F538 HydrophobicContact CG-CG 3.96Å
532K74.9Confident79.2Confident145 Ų14569.4 Ų69.463%0.6334%0.336SS*.  trans-92.8148.3170.1-62.8178.3-177.9174.50110.4N534 Q535K532-N534 PolarHBondContact O-N 3.5Å; K532-Q535 WeakPolarHBondContact O-CB 3.08Å; K532-Q535 PolarHBondContact O-N 2.86Å
533D69.6Low78.9Confident165 Ų16564.2 Ų64.288%0.88231%0.313SS*.THydrogen-bonded Turntrans-51.6-33-173.7-65.8-29.2000114.8
534N67.6Low78.6Confident158 Ų15863.5 Ų63.585%0.84531%0.311SS*.THydrogen-bonded Turntrans-100.413.1-175.8-65-21.7000114.1K532 L536K532-N534 PolarHBondContact O-N 3.5Å; N534-L536 PolarHBondContact O-N 2.96Å
535Q70.3Confident78.2Confident35 Ų3564.4 Ų64.416%0.16431%0.313CS..  trans-88.292.7-176.3-165.2169.8-6.800111.3Y367 K532 F538Y367-Q535 VanDerWaalsContact CE1-NE2 3.35Å; K532-Q535 WeakPolarHBondContact O-CB 3.08Å; K532-Q535 PolarHBondContact O-N 2.86Å; Q535-F538 HydrophobicContact CG-CB 4.3Å; Q535-F538 HydrophobicContact CG-CD2 4.43Å
536L69.9Low77.8Confident152 Ų15259.7 Ų59.780%0.79629%0.292SS*.THydrogen-bonded Turntrans-64.4146.5168.7-63.3173.7000109.8N534 F538N534-L536 PolarHBondContact O-N 2.96Å; L536-F538 PolarHBondContact O-N 2.91Å
537D74.4Confident77.3Confident38 Ų3858.7 Ų58.720%0.20329%0.289CS..THydrogen-bonded Turntrans67.215.8170.4-56.23.8000115.1R375 W539 L540 V541R375-D537 IonicContact CZ-OD1 2.71Å; R375-D537 IonicContact CZ-OD2 2.66Å; R375-D537 IonicContact NH1-OD1 2.65Å; R375-D537 PolarHBondContact NH1-OD1 3.46Å; R375-D537 IonicContact NH1-OD2 2.9Å; R375-D537 PolarHBondContact NH1-OD2 2.99Å; D537-W539 PolarHBondContact O-N 3.29Å; D537-L540 HydrophobicContact CB-CB 4.32Å; D537-L540 HydrophobicContact CB-CD1 4.12Å; D537-L540 HydrophobicContact CB-CG 4.47Å; D537-L540 WeakPolarHBondContact O-CB 3.3Å; D537-L540 PolarHBondContact O-N 3.43Å; D537-V541 PolarHBondContact O-N 3.26Å
538F82.2Confident76.7Confident4 Ų463.9 Ų63.92%0.01832%0.316CS..Hα-helixtrans-46.6-55.9-179.8176.6-100000112.5Y367 I527 K531 Q535 L536 L540 V541 Q542Y367-F538 HydrophobicContact CE1-CD2 4.23Å; Y367-F538 HydrophobicContact CE1-CE2 4.19Å; Y367-F538 AromaticContact CZ-CE2 3.96Å; I527-F538 HydrophobicContact CG2-CE1 3.87Å; I527-F538 HydrophobicContact CG2-CZ 3.69Å; I527-F538 VanDerWaalsContact O-CZ 3.25Å; I527-F538 WeakPolarHBondContact O-CZ 3.22Å; K531-F538 HydrophobicContact CB-CD1 4.26Å; K531-F538 HydrophobicContact CB-CD2 4.26Å; K531-F538 HydrophobicContact CB-CE1 4.25Å; K531-F538 HydrophobicContact CB-CE2 4.24Å; K531-F538 HydrophobicContact CB-CG 4.27Å; K531-F538 HydrophobicContact CB-CZ 4.25Å; K531-F538 HydrophobicContact CD-CB 4.45Å; K531-F538 HydrophobicContact CD-CD1 4.31Å; K531-F538 HydrophobicContact CD-CG 4.37Å; K531-F538 HydrophobicContact CG-CB 4.25Å; K531-F538 HydrophobicContact CG-CD1 4.22Å; K531-F538 HydrophobicContact CG-CD2 4.22Å; K531-F538 HydrophobicContact CG-CG 3.96Å; Q535-F538 HydrophobicContact CG-CB 4.3Å; Q535-F538 HydrophobicContact CG-CD2 4.43Å; L536-F538 PolarHBondContact O-N 2.91Å; F538-L540 VanDerWaalsContact C-N 3.33Å; F538-L540 PolarHBondContact O-N 3.28Å; F538-V541 PolarHBondContact O-N 2.84Å; F538-Q542 HydrophobicContact CD1-CG 4.5Å; F538-Q542 HydrophobicContact CE1-CG 4.11Å; F538-Q542 HydrophobicContact CE2-CG 4.44Å; F538-Q542 HydrophobicContact CZ-CG 4.07Å; F538-Q542 WeakPolarHBondContact O-CG 3.31Å; F538-Q542 PolarHBondContact O-N 3.47Å
539W83.3Confident75.9Confident1 Ų161.9 Ų61.90%0.00431%0.311CS..Hα-helixtrans-66-32.1-179.7-66.9107.3000113.5E441 Q444 K445 F448 L524 I527 E528 D537 Q542 Y543E441-W539 PolarHBondContact OE1-NE1 3.4Å; Q444-W539 HydrophobicContact CB-CB 3.84Å; Q444-W539 HydrophobicContact CB-CG 4.41Å; K445-W539 HydrophobicContact CB-CD2 4.13Å; K445-W539 HydrophobicContact CB-CZ2 4.16Å; K445-W539 HydrophobicContact CD-CH2 4.19Å; K445-W539 HydrophobicContact CD-CZ2 3.79Å; K445-W539 HydrophobicContact CG-CD2 4.42Å; K445-W539 HydrophobicContact CG-CE3 4.48Å; K445-W539 HydrophobicContact CG-CH2 3.83Å; K445-W539 HydrophobicContact CG-CZ2 3.72Å; K445-W539 HydrophobicContact CG-CZ3 4.22Å; F448-W539 HydrophobicContact CB-CE3 4.14Å; F448-W539 HydrophobicContact CD1-CE3 4.02Å; F448-W539 AromaticContact CD1-CZ3 3.75Å; F448-W539 HydrophobicContact CD1-CZ3 3.75Å; F448-W539 HydrophobicContact CE1-CZ3 4.17Å; F448-W539 HydrophobicContact CG-CE3 4.01Å; F448-W539 HydrophobicContact CG-CZ3 4.23Å; L524-W539 HydrophobicContact CD1-CH2 3.73Å; L524-W539 HydrophobicContact CD1-CZ3 3.58Å; L524-W539 HydrophobicContact CG-CH2 4.31Å; I527-W539 HydrophobicContact CG2-CH2 4.38Å; I527-W539 HydrophobicContact CG2-CZ3 4.16Å; E528-W539 HydrophobicContact CB-CH2 4.1Å; E528-W539 HydrophobicContact CB-CZ2 3.95Å; E528-W539 HydrophobicContact CG-CZ2 4.09Å; D537-W539 PolarHBondContact O-N 3.29Å; W539-Q542 PolarHBondContact O-N 2.99Å; W539-Y543 VanDerWaalsContact O-CB 3.24Å; W539-Y543 WeakPolarHBondContact O-CB 3.47Å; W539-Y543 PolarHBondContact O-N 3.49Å
540L80.4Confident74.9Confident0 Ų059.6 Ų59.60%030%0.298CS..Hα-helixtrans-66.6-40.2175.6-57.5-178.6000111.2L370 R375 I378 L379 M382 Q444 D537 F538 Y543 Q544L370-L540 HydrophobicContact CD2-CB 4.47Å; R375-L540 HydrophobicContact CG-CD1 3.78Å; R375-L540 VanDerWaalsContact NH1-CD1 3.28Å; I378-L540 HydrophobicContact CG2-CB 4.25Å; I378-L540 HydrophobicContact CG2-CD2 3.91Å; L379-L540 HydrophobicContact CD2-CD2 3.82Å; L379-L540 HydrophobicContact CG-CD1 4.48Å; L379-L540 HydrophobicContact CG-CD2 4.28Å; M382-L540 HydrophobicContact CE-CD2 4.23Å; M382-L540 HydrophobicContact SD-CD2 3.39Å; M382-L540 WeakPolarHBondContact SD-CD2 3.23Å; Q444-L540 HydrophobicContact CG-CD2 4.28Å; D537-L540 HydrophobicContact CB-CB 4.32Å; D537-L540 HydrophobicContact CB-CD1 4.12Å; D537-L540 HydrophobicContact CB-CG 4.47Å; D537-L540 WeakPolarHBondContact O-CB 3.3Å; D537-L540 PolarHBondContact O-N 3.43Å; F538-L540 VanDerWaalsContact C-N 3.33Å; F538-L540 PolarHBondContact O-N 3.28Å; L540-Y543 PolarHBondContact O-N 2.85Å; L540-Q544 WeakPolarHBondContact O-CB 3.47Å; L540-Q544 PolarHBondContact O-N 3.43Å
541V78.8Confident74.1Confident22 Ų2258.4 Ų58.413%0.13330%0.298CS..Hα-helixtrans-65.9-43175.51770000110.6Y367 D537 F538 Q544 R545Y367-V541 HydrophobicContact CD1-CG1 4Å; Y367-V541 HydrophobicContact CE1-CG1 4.31Å; D537-V541 PolarHBondContact O-N 3.26Å; F538-V541 PolarHBondContact O-N 2.84Å; V541-Q544 PolarHBondContact O-N 2.86Å; V541-R545 WeakPolarHBondContact O-CG 3.33Å; V541-R545 PolarHBondContact O-N 3.28Å
542Q79.2Confident73.2Confident0 Ų056.1 Ų56.10%029%0.289CS..Hα-helixtrans-63.6-42.6175.5-58.3-52.4-10.200112Y367 F448 I527 F538 W539 Q544 R545 V546Y367-Q542 PolarHBondContact OH-NE2 2.8Å; F448-Q542 HydrophobicContact CD2-CB 3.88Å; F448-Q542 HydrophobicContact CE2-CB 3.53Å; F448-Q542 HydrophobicContact CZ-CB 4.17Å; I527-Q542 HydrophobicContact CG2-CG 4.17Å; F538-Q542 HydrophobicContact CD1-CG 4.5Å; F538-Q542 HydrophobicContact CE1-CG 4.11Å; F538-Q542 HydrophobicContact CE2-CG 4.44Å; F538-Q542 HydrophobicContact CZ-CG 4.07Å; F538-Q542 WeakPolarHBondContact O-CG 3.31Å; F538-Q542 PolarHBondContact O-N 3.47Å; W539-Q542 PolarHBondContact O-N 2.99Å; Q542-Q544 VanDerWaalsContact C-N 3.3Å; Q542-Q544 PolarHBondContact O-N 3.46Å; Q542-R545 WeakPolarHBondContact O-CB 3.27Å; Q542-R545 PolarHBondContact O-N 2.8Å; Q542-R545 VanDerWaalsContact O-N 3.14Å; Q542-V546 PolarHBondContact O-N 3.2Å
543Y81.3Confident72.4Confident0 Ų055.4 Ų55.40%029%0.288CS..Hα-helixtrans-57.8-44.9175.6-167.9-88000111.2I378 M382 M385 A447 F448 L451 W539 L540 R545 V546 L547I378-Y543 HydrophobicContact CG2-CD1 3.68Å; I378-Y543 HydrophobicContact CG2-CE1 4.34Å; I378-Y543 HydrophobicContact CG2-CG 4.31Å; M382-Y543 HydrophobicContact CE-CD2 4.16Å; M382-Y543 HydrophobicContact CG-CD1 3.85Å; M382-Y543 HydrophobicContact CG-CD2 3.84Å; M382-Y543 HydrophobicContact CG-CE1 3.53Å; M382-Y543 HydrophobicContact CG-CE2 3.58Å; M382-Y543 HydrophobicContact CG-CG 3.98Å; M382-Y543 VanDerWaalsContact CG-CZ 3.4Å; M382-Y543 HydrophobicContact SD-CD1 4.37Å; M382-Y543 HydrophobicContact SD-CD2 4.28Å; M382-Y543 HydrophobicContact SD-CG 4.18Å; M385-Y543 WeakPolarHBondContact CG-OH 3.45Å; A447-Y543 HydrophobicContact CB-CE2 4.38Å; F448-Y543 HydrophobicContact CB-CD2 4.34Å; L451-Y543 HydrophobicContact CB-CD2 4.26Å; L451-Y543 HydrophobicContact CB-CE2 3.67Å; L451-Y543 HydrophobicContact CD2-CD1 4.11Å; L451-Y543 HydrophobicContact CD2-CD2 3.72Å; L451-Y543 HydrophobicContact CD2-CE1 3.94Å; L451-Y543 HydrophobicContact CD2-CE2 3.48Å; L451-Y543 VanDerWaalsContact CD2-CE2 3.48Å; L451-Y543 HydrophobicContact CD2-CG 4.01Å; L451-Y543 HydrophobicContact CG-CE2 4.14Å; W539-Y543 VanDerWaalsContact O-CB 3.24Å; W539-Y543 WeakPolarHBondContact O-CB 3.47Å; W539-Y543 PolarHBondContact O-N 3.49Å; L540-Y543 PolarHBondContact O-N 2.85Å; Y543-R545 PolarHBondContact O-N 2.57Å; Y543-V546 PolarHBondContact O-N 2.82Å; Y543-L547 HydrophobicContact CD1-CD1 3.67Å; Y543-L547 HydrophobicContact CD1-CG 3.99Å; Y543-L547 HydrophobicContact CE1-CD1 3.5Å; Y543-L547 VanDerWaalsContact CE1-CD1 3.5Å; Y543-L547 HydrophobicContact CE1-CD2 4.28Å; Y543-L547 HydrophobicContact CE1-CG 3.87Å; Y543-L547 WeakPolarHBondContact O-CG 3.38Å; Y543-L547 PolarHBondContact O-N 3.15Å
544Q75.4Confident71.5Confident21 Ų2152.7 Ų52.710%0.09827%0.273CS..Hα-helixtrans-64.9-36.9176.2-172.758.778.200113.1I378 L540 V541 Q542 V546 L547 N548I378-Q544 HydrophobicContact CD1-CB 3.71Å; I378-Q544 HydrophobicContact CD1-CG 4.03Å; I378-Q544 VanDerWaalsContact CD1-OE1 3.28Å; I378-Q544 HydrophobicContact CG1-CB 4.37Å; L540-Q544 WeakPolarHBondContact O-CB 3.47Å; L540-Q544 PolarHBondContact O-N 3.43Å; V541-Q544 PolarHBondContact O-N 2.86Å; Q542-Q544 VanDerWaalsContact C-N 3.3Å; Q542-Q544 PolarHBondContact O-N 3.46Å; Q544-V546 VanDerWaalsContact C-N 3.32Å; Q544-V546 PolarHBondContact O-N 3.35Å; Q544-L547 PolarHBondContact O-N 2.94Å; Q544-N548 PolarHBondContact NE2-ND2 3.32Å; Q544-N548 PolarHBondContact NE2-OD1 2.89Å; Q544-N548 WeakPolarHBondContact O-CB 3.16Å; Q544-N548 VanDerWaalsContact O-CG 3.3Å; Q544-N548 PolarHBondContact O-N 2.94Å; Q544-N548 PolarHBondContact O-ND2 3.03Å
545R78.2Confident70.9Confident39 Ų3946.6 Ų46.615%0.14724%0.241CC..Hα-helixtrans-61.6-40.9175.5-75.4172.8176.1-167.9-3.2111.2Q361 S364 D366 V541 Q542 Y543 N548 S549Q361-R545 PolarHBondContact NE2-O 2.79Å; S364-R545 PolarHBondContact O-NH1 3.14Å; S364-R545 PolarHBondContact O-NH2 3.25Å; S364-R545 PolarHBondContact OG-NH1 3.39Å; S364-R545 PolarHBondContact OG-NH2 2.76Å; D366-R545 PolarHBondContact O-NH2 3.23Å; V541-R545 WeakPolarHBondContact O-CG 3.33Å; V541-R545 PolarHBondContact O-N 3.28Å; Q542-R545 WeakPolarHBondContact O-CB 3.27Å; Q542-R545 PolarHBondContact O-N 2.8Å; Q542-R545 VanDerWaalsContact O-N 3.14Å; Y543-R545 PolarHBondContact O-N 2.57Å; R545-N548 PolarHBondContact O-N 2.92Å; R545-S549 PolarHBondContact O-N 2.93Å; R545-S549 VanDerWaalsContact O-N 3.16Å
546V77.7Confident70.3Confident8 Ų850.6 Ų50.65%0.04826%0.263CS..Hα-helixtrans-71.2-38.2175.4177.60000111.7F362 F448 L451 K455 Q542 Y543 Q544 N548 S549F362-V546 HydrophobicContact CE1-CG2 3.93Å; F362-V546 HydrophobicContact CZ-CG2 3.65Å; F448-V546 HydrophobicContact CE2-CG2 3.6Å; F448-V546 HydrophobicContact CZ-CG2 4.14Å; L451-V546 HydrophobicContact CD2-CB 4.02Å; L451-V546 HydrophobicContact CD2-CG1 3.79Å; L451-V546 HydrophobicContact CG-CG1 3.86Å; K455-V546 HydrophobicContact CB-CG1 4.32Å; K455-V546 HydrophobicContact CG-CG1 4Å; Q542-V546 PolarHBondContact O-N 3.2Å; Y543-V546 PolarHBondContact O-N 2.82Å; Q544-V546 VanDerWaalsContact C-N 3.32Å; Q544-V546 PolarHBondContact O-N 3.35Å; V546-N548 VanDerWaalsContact C-N 3.28Å; V546-N548 PolarHBondContact O-N 2.97Å; V546-S549 PolarHBondContact O-N 3.14Å; V546-S549 PolarHBondContact O-OG 3.42Å
547L73Confident69.9Low60 Ų6052.7 Ų52.731%0.31427%0.265SS..Hα-helixtrans-62.3-37174.1-76.5-179.5000112.7L451 Y543 Q544L451-L547 HydrophobicContact CD1-CD2 4.15Å; L451-L547 HydrophobicContact CD2-CD2 3.84Å; L451-L547 HydrophobicContact CD2-CG 3.9Å; Y543-L547 HydrophobicContact CD1-CD1 3.67Å; Y543-L547 HydrophobicContact CD1-CG 3.99Å; Y543-L547 HydrophobicContact CE1-CD1 3.5Å; Y543-L547 VanDerWaalsContact CE1-CD1 3.5Å; Y543-L547 HydrophobicContact CE1-CD2 4.28Å; Y543-L547 HydrophobicContact CE1-CG 3.87Å; Y543-L547 WeakPolarHBondContact O-CG 3.38Å; Y543-L547 PolarHBondContact O-N 3.15Å; Q544-L547 PolarHBondContact O-N 2.94Å
548N69.8Low69.3Low116 Ų11653 Ų5362%0.6227%0.269SS*.THydrogen-bonded Turntrans-86.4-4.6-178.4-69.3-17.6000113.9Q544 R545 V546 K550Q544-N548 PolarHBondContact NE2-ND2 3.32Å; Q544-N548 PolarHBondContact NE2-OD1 2.89Å; Q544-N548 WeakPolarHBondContact O-CB 3.16Å; Q544-N548 VanDerWaalsContact O-CG 3.3Å; Q544-N548 PolarHBondContact O-N 2.94Å; Q544-N548 PolarHBondContact O-ND2 3.03Å; R545-N548 PolarHBondContact O-N 2.92Å; V546-N548 VanDerWaalsContact C-N 3.28Å; V546-N548 PolarHBondContact O-N 2.97Å; N548-K550 PolarHBondContact O-N 2.8Å
549S67.7Low68.6Low31 Ų3155.7 Ų55.722%0.21728%0.284CS..PPolyproline II helixtrans-67124.3-179.363.80000110.2R545 V546R545-S549 PolarHBondContact O-N 2.93Å; R545-S549 VanDerWaalsContact O-N 3.16Å; V546-S549 PolarHBondContact O-N 3.14Å; V546-S549 PolarHBondContact O-OG 3.42Å
550K62.4Low68.2Low107 Ų10759.3 Ų59.347%0.46531%0.31SS..PPolyproline II helixtrans-68.1127.2173.2-170.2179.5178.9-169.70108.8N548 L554N548-K550 PolarHBondContact O-N 2.8Å; K550-L554 WeakPolarHBondContact CE-O 3.23Å; K550-L554 HydrophobicContact CG-CB 4.27Å; K550-L554 PolarHBondContact NZ-O 3.24Å
551P61.1Low68.3Low60 Ų6061.7 Ų61.739%0.3932%0.323SS..PPolyproline II helixtrans-54.2139.2174.2-23.530.6000111.6E553 L554P551-E553 VanDerWaalsContact CB-OE2 3.29Å; P551-E553 WeakPolarHBondContact CB-OE2 3.44Å; P551-E553 PolarHBondContact O-N 2.92Å; P551-L554 HydrophobicContact CB-CD1 4.47Å; P551-L554 HydrophobicContact CG-CD1 4.19Å; P551-L554 PolarHBondContact O-N 3Å
552V59.7Low68.4Low17 Ų1760.8 Ų60.810%0.10332%0.317CS..G310 helixtrans-62.9-29.1-178.1169.30000111I350 M353 E354 L554 L555I350-V552 HydrophobicContact CG2-CG1 4.2Å; M353-V552 HydrophobicContact CB-CG1 4.29Å; E354-V552 HydrophobicContact CG-CB 3.99Å; E354-V552 HydrophobicContact CG-CG1 4.42Å; E354-V552 HydrophobicContact CG-CG2 3.55Å; V552-L554 PolarHBondContact O-N 3.23Å; V552-L554 VanDerWaalsContact O-N 3.16Å; V552-L555 HydrophobicContact CB-CD1 4.12Å; V552-L555 HydrophobicContact CG1-CD1 3.95Å; V552-L555 HydrophobicContact CG2-CD1 4.08Å; V552-L555 WeakPolarHBondContact O-CB 3.33Å; V552-L555 PolarHBondContact O-N 3.23Å
553E57.6Low68.5Low129 Ų12965 Ų6560%0.60334%0.336SS*.G310 helixtrans-65.6-18.6177.1-51.898.4156.400113.6P551P551-E553 VanDerWaalsContact CB-OE2 3.29Å; P551-E553 WeakPolarHBondContact CB-OE2 3.44Å; P551-E553 PolarHBondContact O-N 2.92Å
554L51.3Low68.5Low108 Ų10868.1 Ų68.157%0.56535%0.353SS*.G310 helixtrans-95.83.1176.8-64.3175.7000113K550 P551 V552K550-L554 WeakPolarHBondContact CE-O 3.23Å; K550-L554 HydrophobicContact CG-CB 4.27Å; K550-L554 PolarHBondContact NZ-O 3.24Å; P551-L554 HydrophobicContact CB-CD1 4.47Å; P551-L554 HydrophobicContact CG-CD1 4.19Å; P551-L554 PolarHBondContact O-N 3Å; V552-L554 PolarHBondContact O-N 3.23Å; V552-L554 VanDerWaalsContact O-N 3.16Å
555L55.9Low68.8Low31 Ų3167.1 Ų67.116%0.16235%0.348CS..SBendtrans-68.8131.5169.4-70.1163.5000108.4V552V552-L555 HydrophobicContact CB-CD1 4.12Å; V552-L555 HydrophobicContact CG1-CD1 3.95Å; V552-L555 HydrophobicContact CG2-CD1 4.08Å; V552-L555 WeakPolarHBondContact O-CB 3.33Å; V552-L555 PolarHBondContact O-N 3.23Å
556D57.7Low69Low118 Ų11865.3 Ų65.363%0.63134%0.341SS*.PPolyproline II helixtrans-55.3144.7-175.9-70.6-45.5000110.7Q579D556-Q579 PolarHBondContact O-NE2 3.21Å
557K61Low69.3Low196 Ų19667.8 Ų67.885%0.85236%0.359SS*.PPolyproline II helixtrans-48.6132.4176.3-77.2-177.6178.3176.80108.5D559K557-D559 PolarHBondContact O-N 2.98Å
558P60.9Low69.9Low44 Ų4468.2 Ų68.229%0.28636%0.362SS..PPolyproline II helixtrans-58.4130.8-178.124.7-31.5000108.7S560 L575 Q579P558-S560 PolarHBondContact O-N 2.92Å; P558-L575 HydrophobicContact CB-CD1 3.92Å; P558-L575 HydrophobicContact CB-CD2 4.16Å; P558-L575 HydrophobicContact CB-CG 4.35Å; P558-L575 HydrophobicContact CG-CD2 4.38Å; P558-Q579 HydrophobicContact CB-CG 4.23Å
559D67.9Low70.6Confident61 Ų6162.9 Ų62.933%0.32633%0.333SS..PPolyproline II helixtrans-55.9126.8174.8-165-9.9000108.4K557 D561 V562 Q563 T584 Y585K557-D559 PolarHBondContact O-N 2.98Å; D559-D561 PolarHBondContact O-N 2.63Å; D559-D561 VanDerWaalsContact O-N 3.17Å; D559-V562 HydrophobicContact CB-CB 4.18Å; D559-V562 HydrophobicContact CB-CG2 3.86Å; D559-V562 WeakPolarHBondContact O-CB 3.2Å; D559-V562 PolarHBondContact O-N 3.44Å; D559-Q563 PolarHBondContact O-N 2.97Å; D559-Q563 VanDerWaalsContact O-N 3.08Å; D559-T584 WeakPolarHBondContact OD2-CA 3.37Å; D559-T584 WeakPolarHBondContact OD2-CB 3.46Å; D559-Y585 PolarHBondContact OD2-N 3.32Å
560S75.7Confident71.2Confident77 Ų7770 Ų7054%0.53836%0.363SS..Hα-helixtrans-59-36.2-167.8-172.30000111.2P558 Q563 I564P558-S560 PolarHBondContact O-N 2.92Å; S560-Q563 PolarHBondContact O-N 3.39Å; S560-I564 WeakPolarHBondContact O-CD1 3.41Å; S560-I564 VanDerWaalsContact O-CG1 3.28Å; S560-I564 WeakPolarHBondContact O-CG1 3.39Å; S560-I564 PolarHBondContact O-N 3.11Å; S560-I564 VanDerWaalsContact O-N 3.09Å
561D81.1Confident72.1Confident51 Ų5165.1 Ų65.127%0.27334%0.343SS..Hα-helixtrans-67.7-40.1177.7-67.8-38.9000112.2D559 Q563 I564 I565 Y585 Y617D559-D561 PolarHBondContact O-N 2.63Å; D559-D561 VanDerWaalsContact O-N 3.17Å; D561-Q563 VanDerWaalsContact C-N 3.31Å; D561-Q563 PolarHBondContact O-N 3.29Å; D561-I564 PolarHBondContact O-N 3.4Å; D561-I565 VanDerWaalsContact O-CG1 3.32Å; D561-I565 WeakPolarHBondContact O-CG1 3.29Å; D561-I565 PolarHBondContact O-N 3.26Å; D561-Y585 HydrophobicContact CB-CD1 4.33Å; D561-Y585 HydrophobicContact CB-CD2 4.18Å; D561-Y585 HydrophobicContact CB-CG 3.86Å; D561-Y617 HydrophobicContact CB-CE1 4.16Å; D561-Y617 PolarHBondContact OD1-OH 3.26Å
562V81.2Confident72.8Confident3 Ų365.9 Ų65.92%0.01834%0.343CS..Hα-helixtrans-63.5-41.3176.9175.40000110.2D559 I565 L566 L575 F578 M588D559-V562 HydrophobicContact CB-CB 4.18Å; D559-V562 HydrophobicContact CB-CG2 3.86Å; D559-V562 WeakPolarHBondContact O-CB 3.2Å; D559-V562 PolarHBondContact O-N 3.44Å; V562-I565 PolarHBondContact O-N 2.99Å; V562-L566 HydrophobicContact CG1-CD1 3.88Å; V562-L566 HydrophobicContact CG1-CG 4.47Å; V562-L566 WeakPolarHBondContact O-CB 3.28Å; V562-L566 WeakPolarHBondContact O-CG 3.48Å; V562-L566 PolarHBondContact O-N 3.42Å; V562-L575 HydrophobicContact CG1-CD1 4.26Å; V562-F578 HydrophobicContact CG1-CB 4.2Å; V562-F578 HydrophobicContact CG1-CD1 4.49Å; V562-F578 HydrophobicContact CG1-CG 4.33Å; V562-M588 HydrophobicContact CB-CE 4.27Å; V562-M588 HydrophobicContact CB-SD 4.5Å; V562-M588 HydrophobicContact CG1-CE 4.27Å; V562-M588 HydrophobicContact CG1-SD 3.95Å; V562-M588 HydrophobicContact CG2-CE 4.04Å; V562-M588 HydrophobicContact CG2-SD 4.23Å
563Q80.9Confident73.3Confident87 Ų8771.6 Ų71.641%0.40737%0.369SS..Hα-helixtrans-64.6-40.8176.8-167.2175.613.600112.3D559 S560 D561 S567 L572 L575D559-Q563 PolarHBondContact O-N 2.97Å; D559-Q563 VanDerWaalsContact O-N 3.08Å; S560-Q563 PolarHBondContact O-N 3.39Å; D561-Q563 VanDerWaalsContact C-N 3.31Å; D561-Q563 PolarHBondContact O-N 3.29Å; Q563-S567 VanDerWaalsContact O-CB 3.28Å; Q563-S567 WeakPolarHBondContact O-CB 3.35Å; Q563-S567 PolarHBondContact O-N 2.76Å; Q563-L572 HydrophobicContact CG-CD2 4.12Å; Q563-L575 HydrophobicContact CG-CD2 4.46Å
564I81.3Confident74.1Confident66 Ų6666.7 Ų66.734%0.33835%0.345SS..Hα-helixtrans-63.6-45.5177.2-69163.2000110.9S560 D561 S567 N568 Y617S560-I564 WeakPolarHBondContact O-CD1 3.41Å; S560-I564 VanDerWaalsContact O-CG1 3.28Å; S560-I564 WeakPolarHBondContact O-CG1 3.39Å; S560-I564 PolarHBondContact O-N 3.11Å; S560-I564 VanDerWaalsContact O-N 3.09Å; D561-I564 PolarHBondContact O-N 3.4Å; I564-S567 WeakPolarHBondContact O-CB 3.35Å; I564-S567 PolarHBondContact O-N 2.55Å; I564-N568 VanDerWaalsContact O-CG 3.26Å; I564-N568 PolarHBondContact O-N 3.32Å; I564-N568 PolarHBondContact O-ND2 3.41Å; I564-Y617 HydrophobicContact CB-CE2 4.43Å; I564-Y617 HydrophobicContact CG2-CD2 4.32Å; I564-Y617 HydrophobicContact CG2-CE2 3.73Å
565I82.7Confident75.2Confident1 Ų162 Ų621%0.00532%0.321CS..Hα-helixtrans-65.2-44.5-179-69.2165.3000111D561 V562 S567 N568 A569 Y585 M588 Q613 I614 Y617D561-I565 VanDerWaalsContact O-CG1 3.32Å; D561-I565 WeakPolarHBondContact O-CG1 3.29Å; D561-I565 PolarHBondContact O-N 3.26Å; V562-I565 PolarHBondContact O-N 2.99Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-S567 PolarHBondContact O-N 3.37Å; I565-N568 PolarHBondContact O-N 2.91Å; I565-A569 WeakPolarHBondContact O-CB 3.43Å; I565-A569 PolarHBondContact O-N 3.02Å; I565-Y585 HydrophobicContact CD1-CD2 3.69Å; I565-Y585 HydrophobicContact CD1-CE2 3.6Å; I565-M588 HydrophobicContact CB-CE 3.64Å; I565-M588 HydrophobicContact CD1-CE 3.27Å; I565-M588 HydrophobicContact CG1-CE 4.03Å; I565-M588 HydrophobicContact CG2-CE 3.59Å; I565-Q613 HydrophobicContact CG2-CB 3.92Å; I565-I614 HydrophobicContact CG2-CG1 3.89Å; I565-Y617 HydrophobicContact CD1-CD1 3.77Å; I565-Y617 HydrophobicContact CD1-CE1 4.38Å; I565-Y617 HydrophobicContact CD1-CG 3.82Å; I565-Y617 HydrophobicContact CG1-CD1 4.14Å; I565-Y617 HydrophobicContact CG1-CD2 3.99Å; I565-Y617 HydrophobicContact CG1-CG 3.73Å
566L83.1Confident75.7Confident0 Ų061.3 Ų61.30%032%0.318CS..Hα-helixtrans-66.5-34.8177.4-70.3172.4000112.5V562 A569 Q570 S571 L572 L575 F578 I610V562-L566 HydrophobicContact CG1-CD1 3.88Å; V562-L566 HydrophobicContact CG1-CG 4.47Å; V562-L566 WeakPolarHBondContact O-CB 3.28Å; V562-L566 WeakPolarHBondContact O-CG 3.48Å; V562-L566 PolarHBondContact O-N 3.42Å; L566-A569 CarbonylContact O-C 3.4Å; L566-A569 PolarHBondContact O-N 2.85Å; L566-Q570 PolarHBondContact O-N 2.95Å; L566-S571 PolarHBondContact O-N 3.44Å; L566-L572 HydrophobicContact CB-CD2 4.44Å; L566-L572 PolarHBondContact O-N 3.24Å; L566-L575 HydrophobicContact CD1-CB 3.93Å; L566-L575 HydrophobicContact CD1-CD1 3.59Å; L566-L575 HydrophobicContact CD1-CG 4.4Å; L566-F578 HydrophobicContact CD1-CD2 3.7Å; L566-F578 HydrophobicContact CD1-CE2 4.03Å; L566-F578 HydrophobicContact CD1-CG 4.31Å; L566-F578 HydrophobicContact CD2-CD2 4.18Å; L566-F578 HydrophobicContact CD2-CE2 3.63Å; L566-F578 HydrophobicContact CD2-CZ 4.14Å; L566-F578 HydrophobicContact CG-CE2 4.41Å; L566-I610 HydrophobicContact CD2-CD1 3.99Å; L566-I610 HydrophobicContact CD2-CG1 4.02Å
567S84Confident76.2Confident60 Ų6055.9 Ų55.942%0.4229%0.289SS..Hα-helixtrans-62.1-48.2172.6-174.30000111.5Q563 I564 I565 A569 Q570Q563-S567 VanDerWaalsContact O-CB 3.28Å; Q563-S567 WeakPolarHBondContact O-CB 3.35Å; Q563-S567 PolarHBondContact O-N 2.76Å; I564-S567 WeakPolarHBondContact O-CB 3.35Å; I564-S567 PolarHBondContact O-N 2.55Å; I565-S567 VanDerWaalsContact C-N 3.33Å; I565-S567 PolarHBondContact O-N 3.37Å; S567-A569 PolarHBondContact O-N 3.41Å; S567-Q570 PolarHBondContact O-N 2.62Å
568N84.3Confident76.9Confident70 Ų7046.7 Ų46.737%0.37425%0.249SC..Hα-helixtrans-64.7-30.4177-67.5-28000112.4I564 I565 Q570 Q613I564-N568 VanDerWaalsContact O-CG 3.26Å; I564-N568 PolarHBondContact O-N 3.32Å; I564-N568 PolarHBondContact O-ND2 3.41Å; I565-N568 PolarHBondContact O-N 2.91Å; N568-Q570 PolarHBondContact O-N 2.71Å; N568-Q613 HydrophobicContact CB-CG 4.19Å; N568-Q613 PolarHBondContact O-NE2 3.32Å
569A84.2Confident77.3Confident3 Ų346 Ų463%0.02524%0.242CC..THydrogen-bonded Turntrans-79.60.5175.800000113.6I565 L566 S567 S571 E609 I610 Q613I565-A569 WeakPolarHBondContact O-CB 3.43Å; I565-A569 PolarHBondContact O-N 3.02Å; L566-A569 CarbonylContact O-C 3.4Å; L566-A569 PolarHBondContact O-N 2.85Å; S567-A569 PolarHBondContact O-N 3.41Å; A569-S571 PolarHBondContact O-N 3.47Å; A569-S571 VanDerWaalsContact O-N 3.07Å; A569-S571 PolarHBondContact O-OG 2.86Å; A569-E609 HydrophobicContact CB-CG 3.92Å; A569-E609 WeakPolarHBondContact O-CG 3.36Å; A569-I610 HydrophobicContact CB-CG1 4.04Å; A569-Q613 HydrophobicContact CB-CB 4.31Å; A569-Q613 HydrophobicContact CB-CG 3.86Å
570Q80.8Confident77.2Confident180 Ų18047.6 Ų47.684%0.84124%0.244SC*.THydrogen-bonded Turntrans51.930-171.9-57.9-178.9-12.600112.6L566 S567 N568L566-Q570 PolarHBondContact O-N 2.95Å; S567-Q570 PolarHBondContact O-N 2.62Å; N568-Q570 PolarHBondContact O-N 2.71Å
571S80.8Confident77Confident6 Ų648 Ų484%0.04224%0.237CC..  trans-124.827.2-167.7-68.40000111.4L566 A569 E573 F574L566-S571 PolarHBondContact O-N 3.44Å; A569-S571 PolarHBondContact O-N 3.47Å; A569-S571 VanDerWaalsContact O-N 3.07Å; A569-S571 PolarHBondContact O-OG 2.86Å; S571-E573 PolarHBondContact O-N 3.47Å; S571-E573 VanDerWaalsContact O-N 3.13Å; S571-F574 PolarHBondContact O-N 3.41Å; S571-F574 VanDerWaalsContact O-N 3.09Å
572L76Confident76.6Confident75 Ų7548.4 Ų48.439%0.39325%0.247SC..G310 helixtrans-58.1-22.7177.1-86.3159.6000113.2Q563 L566 F574 L575Q563-L572 HydrophobicContact CG-CD2 4.12Å; L566-L572 HydrophobicContact CB-CD2 4.44Å; L566-L572 PolarHBondContact O-N 3.24Å; L572-F574 PolarHBondContact O-N 3.49Å; L572-L575 VanDerWaalsContact O-CB 3.25Å; L572-L575 WeakPolarHBondContact O-CB 3.36Å; L572-L575 PolarHBondContact O-N 3.41Å; L572-L575 VanDerWaalsContact O-N 3.13Å
573E70.2Confident76.3Confident137 Ų13748.9 Ų48.964%0.6425%0.25SC*.G310 helixtrans-60.2-24.2175.264.2-175.1-179.200113.4S571 P576S571-E573 PolarHBondContact O-N 3.47Å; S571-E573 VanDerWaalsContact O-N 3.13Å; E573-P576 VanDerWaalsContact O-CD 3.31Å; E573-P576 WeakPolarHBondContact O-CD 3.49Å
574F75Confident76.2Confident27 Ų2747.6 Ų47.612%0.11825%0.248CC..G310 helixtrans-93.1-4.6178.4-56.7-66.7000113.9S571 L572 P576 N577 F578 I601 A606 I610S571-F574 PolarHBondContact O-N 3.41Å; S571-F574 VanDerWaalsContact O-N 3.09Å; L572-F574 PolarHBondContact O-N 3.49Å; F574-P576 VanDerWaalsContact O-N 3.12Å; F574-N577 WeakPolarHBondContact O-CB 3.3Å; F574-N577 PolarHBondContact O-N 3.38Å; F574-F578 HydrophobicContact CB-CE2 4.17Å; F574-F578 VanDerWaalsContact O-CD2 3.28Å; F574-F578 WeakPolarHBondContact O-CD2 3.36Å; F574-F578 PolarHBondContact O-N 3.47Å; F574-I601 HydrophobicContact CB-CD1 3.71Å; F574-I601 HydrophobicContact CB-CG1 4.06Å; F574-I601 HydrophobicContact CD1-CB 4.43Å; F574-I601 HydrophobicContact CD1-CD1 4.3Å; F574-I601 HydrophobicContact CD1-CG1 3.75Å; F574-I601 HydrophobicContact CD1-CG2 4.27Å; F574-I601 HydrophobicContact CD2-CD1 4.36Å; F574-I601 HydrophobicContact CD2-CG1 4.5Å; F574-I601 HydrophobicContact CD2-CG2 4.18Å; F574-I601 HydrophobicContact CE1-CG1 4.35Å; F574-I601 HydrophobicContact CE1-CG2 4.16Å; F574-I601 HydrophobicContact CE2-CG2 4.09Å; F574-I601 HydrophobicContact CG-CD1 3.86Å; F574-I601 HydrophobicContact CG-CG1 3.83Å; F574-I601 HydrophobicContact CG-CG2 4.28Å; F574-I601 HydrophobicContact CZ-CG2 4.08Å; F574-A606 HydrophobicContact CD2-CB 4.33Å; F574-A606 HydrophobicContact CE2-CB 3.56Å; F574-A606 HydrophobicContact CZ-CB 4.21Å; F574-I610 HydrophobicContact CD2-CD1 4.47Å
575L73.8Confident76.2Confident10 Ų1045.7 Ų45.75%0.05224%0.237CC..Hα-helixtrans-46.8-39.7175.5-17669.2000113.5M353 P558 V562 Q563 L566 L572 N577 F578 Q579M353-L575 HydrophobicContact CE-CD2 4.39Å; P558-L575 HydrophobicContact CB-CD1 3.92Å; P558-L575 HydrophobicContact CB-CD2 4.16Å; P558-L575 HydrophobicContact CB-CG 4.35Å; P558-L575 HydrophobicContact CG-CD2 4.38Å; V562-L575 HydrophobicContact CG1-CD1 4.26Å; Q563-L575 HydrophobicContact CG-CD2 4.46Å; L566-L575 HydrophobicContact CD1-CB 3.93Å; L566-L575 HydrophobicContact CD1-CD1 3.59Å; L566-L575 HydrophobicContact CD1-CG 4.4Å; L572-L575 VanDerWaalsContact O-CB 3.25Å; L572-L575 WeakPolarHBondContact O-CB 3.36Å; L572-L575 PolarHBondContact O-N 3.41Å; L572-L575 VanDerWaalsContact O-N 3.13Å; L575-N577 VanDerWaalsContact C-N 3.28Å; L575-N577 PolarHBondContact O-N 2.69Å; L575-F578 PolarHBondContact O-N 3.03Å; L575-F578 VanDerWaalsContact O-N 3.17Å; L575-Q579 PolarHBondContact O-N 3.36Å
576P66.2Low76Confident15 Ų1549.7 Ų49.710%0.09727%0.265CS..Hα-helixtrans-60.6-35.4177.3-23.936.3000113.4M353 E573 F574 Q579 R580M353-P576 HydrophobicContact CB-CB 4.12Å; M353-P576 HydrophobicContact CB-CG 3.91Å; M353-P576 HydrophobicContact CE-CG 3.97Å; M353-P576 HydrophobicContact CG-CB 4.19Å; M353-P576 HydrophobicContact CG-CG 3.51Å; M353-P576 HydrophobicContact SD-CB 4.31Å; M353-P576 HydrophobicContact SD-CG 3.83Å; E573-P576 VanDerWaalsContact O-CD 3.31Å; E573-P576 WeakPolarHBondContact O-CD 3.49Å; F574-P576 VanDerWaalsContact O-N 3.12Å; P576-Q579 PolarHBondContact O-N 2.96Å; P576-R580 WeakPolarHBondContact O-CB 3.46Å; P576-R580 PolarHBondContact O-N 2.82Å
577N69Low75.9Confident5 Ų553.2 Ų53.23%0.02728%0.283CS..Hα-helixtrans-66.7-40178.1-66.2-23.2000110.9F574 L575 R580 H581 I599F574-N577 WeakPolarHBondContact O-CB 3.3Å; F574-N577 PolarHBondContact O-N 3.38Å; L575-N577 VanDerWaalsContact C-N 3.28Å; L575-N577 PolarHBondContact O-N 2.69Å; N577-R580 PolarHBondContact O-N 2.83Å; N577-H581 PolarHBondContact O-CD2 2.85Å; N577-H581 VanDerWaalsContact O-CD2 3.28Å; N577-H581 PolarHBondContact O-N 3.45Å; N577-I599 WeakPolarHBondContact CB-O 3.47Å; N577-I599 VanDerWaalsContact CG-O 3.3Å; N577-I599 PolarHBondContact ND2-O 3.41Å
578F75.7Confident75.9Confident2 Ų250.4 Ų50.41%0.00926%0.263CS..Hα-helixtrans-66-41.7175.6-70-90.7000112.1V562 L566 F574 L575 H581 A582 I583 M588 L596 I599 I601 I610V562-F578 HydrophobicContact CG1-CB 4.2Å; V562-F578 HydrophobicContact CG1-CD1 4.49Å; V562-F578 HydrophobicContact CG1-CG 4.33Å; L566-F578 HydrophobicContact CD1-CD2 3.7Å; L566-F578 HydrophobicContact CD1-CE2 4.03Å; L566-F578 HydrophobicContact CD1-CG 4.31Å; L566-F578 HydrophobicContact CD2-CD2 4.18Å; L566-F578 HydrophobicContact CD2-CE2 3.63Å; L566-F578 HydrophobicContact CD2-CZ 4.14Å; L566-F578 HydrophobicContact CG-CE2 4.41Å; F574-F578 HydrophobicContact CB-CE2 4.17Å; F574-F578 VanDerWaalsContact O-CD2 3.28Å; F574-F578 WeakPolarHBondContact O-CD2 3.36Å; F574-F578 PolarHBondContact O-N 3.47Å; L575-F578 PolarHBondContact O-N 3.03Å; L575-F578 VanDerWaalsContact O-N 3.17Å; F578-H581 PolarHBondContact O-N 3Å; F578-A582 PolarHBondContact O-N 3.39Å; F578-I583 HydrophobicContact CB-CB 4.32Å; F578-I583 HydrophobicContact CD1-CB 3.95Å; F578-I583 HydrophobicContact CD1-CD1 3.82Å; F578-I583 HydrophobicContact CD1-CG1 4.45Å; F578-I583 HydrophobicContact CD1-CG2 3.84Å; F578-I583 HydrophobicContact CE1-CD1 4.36Å; F578-I583 HydrophobicContact CE1-CG2 4.47Å; F578-I583 PolarHBondContact O-N 2.94Å; F578-M588 HydrophobicContact CD1-SD 3.99Å; F578-M588 HydrophobicContact CE1-CG 4.13Å; F578-M588 HydrophobicContact CE1-SD 3.69Å; F578-M588 HydrophobicContact CZ-SD 4.35Å; F578-L596 HydrophobicContact CE1-CD2 4.17Å; F578-L596 HydrophobicContact CZ-CD2 3.81Å; F578-I599 HydrophobicContact CD1-CD1 4.21Å; F578-I599 HydrophobicContact CE1-CD1 3.83Å; F578-I599 HydrophobicContact CE2-CD1 4.16Å; F578-I599 HydrophobicContact CZ-CD1 3.79Å; F578-I601 HydrophobicContact CE2-CD1 3.57Å; F578-I601 HydrophobicContact CZ-CD1 3.81Å; F578-I610 HydrophobicContact CE2-CD1 4.49Å; F578-I610 HydrophobicContact CZ-CD1 4.42Å; F578-I610 HydrophobicContact CZ-CG2 4.36Å
579Q70.3Confident75.8Confident31 Ų3150.5 Ų50.515%0.14526%0.261CS..Hα-helixtrans-65.2-41.5176.3-70.6-178.9-86.600112.2D556 P558 L575 P576 H581 A582D556-Q579 PolarHBondContact O-NE2 3.21Å; P558-Q579 HydrophobicContact CB-CG 4.23Å; L575-Q579 PolarHBondContact O-N 3.36Å; P576-Q579 PolarHBondContact O-N 2.96Å; Q579-H581 PolarHBondContact O-N 3.5Å; Q579-A582 PolarHBondContact O-N 3.1Å
580R65Low75.8Confident93 Ų9355.1 Ų55.135%0.35129%0.289SS..Hα-helixtrans-55.9-39.7176.3171.2178.2165.7168.5-5.3112.3F357 P576 N577 A582F357-R580 HydrophobicContact CD2-CG 4.41Å; F357-R580 HydrophobicContact CE2-CB 4.48Å; F357-R580 HydrophobicContact CE2-CG 3.95Å; P576-R580 WeakPolarHBondContact O-CB 3.46Å; P576-R580 PolarHBondContact O-N 2.82Å; N577-R580 PolarHBondContact O-N 2.83Å; R580-A582 VanDerWaalsContact C-N 3.34Å
581H71Confident76Confident85 Ų8548.1 Ų48.139%0.39426%0.257SS..THydrogen-bonded Turntrans-92.89.2-179.4-71.3-83.4000113.3N577 F578 Q579 I583 I599N577-H581 PolarHBondContact O-CD2 2.85Å; N577-H581 VanDerWaalsContact O-CD2 3.28Å; N577-H581 PolarHBondContact O-N 3.45Å; F578-H581 PolarHBondContact O-N 3Å; Q579-H581 PolarHBondContact O-N 3.5Å; H581-I583 HydrophobicContact CB-CD1 3.84Å; H581-I583 HydrophobicContact CB-CG1 3.72Å; H581-I583 PolarHBondContact O-N 3.14Å; H581-I599 HydrophobicContact CB-CG2 4.37Å
582A72.2Confident76.3Confident60 Ų6051.3 Ų51.350%0.49628%0.276SS..THydrogen-bonded Turntrans49.439.6-177.500000113F578 Q579 R580 T584F578-A582 PolarHBondContact O-N 3.39Å; Q579-A582 PolarHBondContact O-N 3.1Å; R580-A582 VanDerWaalsContact C-N 3.34Å; A582-T584 PolarHBondContact O-N 3.17Å; A582-T584 VanDerWaalsContact O-N 3.14Å
583I75.4Confident76.7Confident14 Ų1450.3 Ų50.37%0.07227%0.271CS..  trans-78.1103.1-177.4-59.2177.7000108.6F578 H581 I587 M588 M591 I599F578-I583 HydrophobicContact CB-CB 4.32Å; F578-I583 HydrophobicContact CD1-CB 3.95Å; F578-I583 HydrophobicContact CD1-CD1 3.82Å; F578-I583 HydrophobicContact CD1-CG1 4.45Å; F578-I583 HydrophobicContact CD1-CG2 3.84Å; F578-I583 HydrophobicContact CE1-CD1 4.36Å; F578-I583 HydrophobicContact CE1-CG2 4.47Å; F578-I583 PolarHBondContact O-N 2.94Å; H581-I583 HydrophobicContact CB-CD1 3.84Å; H581-I583 HydrophobicContact CB-CG1 3.72Å; H581-I583 PolarHBondContact O-N 3.14Å; I583-I587 HydrophobicContact CG2-CB 4.03Å; I583-I587 HydrophobicContact CG2-CG2 3.97Å; I583-M588 HydrophobicContact CG2-CB 3.89Å; I583-M591 HydrophobicContact CD1-SD 4.2Å; I583-I599 HydrophobicContact CD1-CD1 4.03Å; I583-I599 HydrophobicContact CD1-CG2 4Å
584T80.1Confident77.3Confident60 Ų6047.3 Ų47.337%0.36827%0.266SS..  trans-76.7166.5169.358.80000110.9D559 A582 S586 I587 M588D559-T584 WeakPolarHBondContact OD2-CA 3.37Å; D559-T584 WeakPolarHBondContact OD2-CB 3.46Å; A582-T584 PolarHBondContact O-N 3.17Å; A582-T584 VanDerWaalsContact O-N 3.14Å; T584-S586 PolarHBondContact O-N 3.33Å; T584-I587 PolarHBondContact O-N 2.84Å; T584-M588 PolarHBondContact O-N 2.99Å
585Y80.6Confident77.8Confident26 Ų2648 Ų4810%0.10227%0.27CS..Hα-helixtrans-53.7-39.9176.2173.4-124.8000112.6D559 D561 I565 I587 M588 Q589 Y617D559-Y585 PolarHBondContact OD2-N 3.32Å; D561-Y585 HydrophobicContact CB-CD1 4.33Å; D561-Y585 HydrophobicContact CB-CD2 4.18Å; D561-Y585 HydrophobicContact CB-CG 3.86Å; I565-Y585 HydrophobicContact CD1-CD2 3.69Å; I565-Y585 HydrophobicContact CD1-CE2 3.6Å; Y585-I587 VanDerWaalsContact C-N 3.32Å; Y585-I587 PolarHBondContact O-N 3.35Å; Y585-M588 PolarHBondContact O-N 2.86Å; Y585-M588 VanDerWaalsContact O-N 3.15Å; Y585-Q589 HydrophobicContact CD2-CG 4.24Å; Y585-Q589 HydrophobicContact CE1-CG 4.49Å; Y585-Q589 HydrophobicContact CE2-CG 3.78Å; Y585-Q589 WeakPolarHBondContact O-CG 3.5Å; Y585-Q589 PolarHBondContact O-N 3.33Å; Y585-Q589 PolarHBondContact OH-NE2 3.02Å; Y585-Y617 HydrophobicContact CE1-CE1 4.48Å; Y585-Y617 AromaticContact CE2-CD1 3.72Å; Y585-Y617 HydrophobicContact CE2-CD1 3.72Å; Y585-Y617 HydrophobicContact CE2-CE1 4.21Å; Y585-Y617 AromaticContact CZ-CD1 3.68Å
586S78.1Confident78.3Confident85 Ų8547.5 Ų47.559%0.59427%0.268SS*.Hα-helixtrans-58.8-39.9176.9-60.10000113.2T584T584-S586 PolarHBondContact O-N 3.33Å
587I81.3Confident78.9Confident73 Ų7350.9 Ų50.937%0.37428%0.281SS..Hα-helixtrans-75.6-39.1176.3-60.2169.3000109.6I583 T584 Y585 Q589 T590 M591I583-I587 HydrophobicContact CG2-CB 4.03Å; I583-I587 HydrophobicContact CG2-CG2 3.97Å; T584-I587 PolarHBondContact O-N 2.84Å; Y585-I587 VanDerWaalsContact C-N 3.32Å; Y585-I587 PolarHBondContact O-N 3.35Å; I587-Q589 PolarHBondContact O-N 3.01Å; I587-T590 PolarHBondContact O-N 2.75Å; I587-T590 PolarHBondContact O-OG1 2.78Å; I587-M591 HydrophobicContact CG2-CE 4.34Å; I587-M591 WeakPolarHBondContact O-CG 3.35Å; I587-M591 PolarHBondContact O-N 2.91Å
588M83.5Confident79.4Confident1 Ų158.1 Ų58.11%0.00532%0.315CS..Hα-helixtrans-60.9-31.9-179.8-164.4163.373.500112.5V562 I565 F578 I583 T584 Y585 T590 M591 I614V562-M588 HydrophobicContact CB-CE 4.27Å; V562-M588 HydrophobicContact CB-SD 4.5Å; V562-M588 HydrophobicContact CG1-CE 4.27Å; V562-M588 HydrophobicContact CG1-SD 3.95Å; V562-M588 HydrophobicContact CG2-CE 4.04Å; V562-M588 HydrophobicContact CG2-SD 4.23Å; I565-M588 HydrophobicContact CB-CE 3.64Å; I565-M588 HydrophobicContact CD1-CE 3.27Å; I565-M588 HydrophobicContact CG1-CE 4.03Å; I565-M588 HydrophobicContact CG2-CE 3.59Å; F578-M588 HydrophobicContact CD1-SD 3.99Å; F578-M588 HydrophobicContact CE1-CG 4.13Å; F578-M588 HydrophobicContact CE1-SD 3.69Å; F578-M588 HydrophobicContact CZ-SD 4.35Å; I583-M588 HydrophobicContact CG2-CB 3.89Å; T584-M588 PolarHBondContact O-N 2.99Å; Y585-M588 PolarHBondContact O-N 2.86Å; Y585-M588 VanDerWaalsContact O-N 3.15Å; M588-T590 PolarHBondContact O-N 3.23Å; M588-M591 PolarHBondContact O-N 2.77Å; M588-I614 HydrophobicContact CE-CG1 4.08Å; M588-I614 HydrophobicContact CG-CD1 3.62Å; M588-I614 HydrophobicContact CG-CG1 4.06Å; M588-I614 HydrophobicContact SD-CD1 4.34Å; M588-I614 HydrophobicContact SD-CG1 4.49Å
589Q83.2Confident79.4Confident72 Ų7258.7 Ų58.734%0.33632%0.318SS..THydrogen-bonded Turntrans-63.4-24.8174.9-73.3-179.843.600114.4Y585 I587Y585-Q589 HydrophobicContact CD2-CG 4.24Å; Y585-Q589 HydrophobicContact CE1-CG 4.49Å; Y585-Q589 HydrophobicContact CE2-CG 3.78Å; Y585-Q589 WeakPolarHBondContact O-CG 3.5Å; Y585-Q589 PolarHBondContact O-N 3.33Å; Y585-Q589 PolarHBondContact OH-NE2 3.02Å; I587-Q589 PolarHBondContact O-N 3.01Å
590T83.4Confident79.5Confident100 Ų10057.7 Ų57.761%0.61332%0.316SS*.THydrogen-bonded Turntrans-99.2-0.9-178.8610000113I587 M588I587-T590 PolarHBondContact O-N 2.75Å; I587-T590 PolarHBondContact O-OG1 2.78Å; M588-T590 PolarHBondContact O-N 3.23Å
591M84.7Confident80.2Confident34 Ų3453.3 Ų53.317%0.16730%0.299CS..  trans-69.2136.8-177.5-68.1-80.683.100112.7I583 I587 M588 D595 L611I583-M591 HydrophobicContact CD1-SD 4.2Å; I587-M591 HydrophobicContact CG2-CE 4.34Å; I587-M591 WeakPolarHBondContact O-CG 3.35Å; I587-M591 PolarHBondContact O-N 2.91Å; M588-M591 PolarHBondContact O-N 2.77Å; M591-D595 HydrophobicContact CE-CB 3.46Å; M591-D595 VanDerWaalsContact CE-CB 3.46Å; M591-D595 HydrophobicContact SD-CB 3.52Å; M591-D595 VanDerWaalsContact SD-CB 3.52Å; M591-L611 WeakPolarHBondContact O-CD2 3.36Å
592T86.7Confident80.6Confident72 Ų7255.4 Ų55.444%0.44231%0.309SS..  trans-103.5170.5175.270.50000111.5S594 D595 L596T592-S594 PolarHBondContact O-N 2.79Å; T592-S594 PolarHBondContact OG1-N 2.83Å; T592-D595 WeakPolarHBondContact CB-OD2 3.33Å; T592-D595 PolarHBondContact N-OD2 2.92Å; T592-D595 PolarHBondContact O-N 3.14Å; T592-D595 VanDerWaalsContact OG1-CG 3.22Å; T592-D595 PolarHBondContact OG1-N 3.46Å; T592-D595 PolarHBondContact OG1-OD2 2.68Å; T592-L596 WeakPolarHBondContact O-CG 3.29Å; T592-L596 PolarHBondContact O-N 2.94Å; T592-L596 VanDerWaalsContact O-N 3.1Å
593D85.2Confident81.1Confident54 Ų5455 Ų5529%0.28931%0.305SS..Hα-helixtrans-58.7-27.7173.2-177.281.1000112.5K597 R607 L611D593-K597 WeakPolarHBondContact O-CG 3.48Å; D593-K597 PolarHBondContact O-N 2.99Å; D593-K597 WeakPolarHBondContact OD2-CE 3.4Å; D593-K597 IonicContact OD2-NZ 2.61Å; D593-K597 PolarHBondContact OD2-NZ 3.37Å; D593-R607 WeakPolarHBondContact OD1-CD 3.33Å; D593-R607 IonicContact OD1-CZ 2.8Å; D593-R607 IonicContact OD1-NE 3.69Å; D593-R607 PolarHBondContact OD1-NE 3.15Å; D593-R607 IonicContact OD1-NH2 3.89Å; D593-R607 IonicContact OD2-NE 2.77Å; D593-L611 HydrophobicContact CB-CD1 4.41Å
594S82.5Confident81.4Confident75 Ų7558.7 Ų58.752%0.52433%0.325SS..Hα-helixtrans-71.6-46.9176.5-165.90000111.1T592 L596 K597 E598T592-S594 PolarHBondContact O-N 2.79Å; T592-S594 PolarHBondContact OG1-N 2.83Å; S594-L596 VanDerWaalsContact C-N 3.28Å; S594-L596 PolarHBondContact O-N 3.1Å; S594-K597 WeakPolarHBondContact O-CA 3.44Å; S594-K597 WeakPolarHBondContact O-CB 3.35Å; S594-K597 PolarHBondContact O-N 2.71Å; S594-E598 PolarHBondContact O-N 3.38Å
595D85.7Confident81.6Confident40 Ų4058.3 Ų58.321%0.21433%0.333CS..Hα-helixtrans-63.6-38.5-179.2-48.6-45.3000110.8M591 T592 K597 E598 I599M591-D595 HydrophobicContact CE-CB 3.46Å; M591-D595 VanDerWaalsContact CE-CB 3.46Å; M591-D595 HydrophobicContact SD-CB 3.52Å; M591-D595 VanDerWaalsContact SD-CB 3.52Å; T592-D595 WeakPolarHBondContact CB-OD2 3.33Å; T592-D595 PolarHBondContact N-OD2 2.92Å; T592-D595 PolarHBondContact O-N 3.14Å; T592-D595 VanDerWaalsContact OG1-CG 3.22Å; T592-D595 PolarHBondContact OG1-N 3.46Å; T592-D595 PolarHBondContact OG1-OD2 2.68Å; D595-K597 VanDerWaalsContact C-N 3.27Å; D595-K597 PolarHBondContact O-N 2.94Å; D595-E598 WeakPolarHBondContact O-CB 3.41Å; D595-E598 PolarHBondContact O-N 2.94Å; D595-I599 PolarHBondContact O-N 3.44Å
596L84.2Confident81.7Confident0 Ų057.7 Ų57.70%033%0.333CS..Hα-helixtrans-62.2-32.9174-67.6179.1000112.7F578 T592 S594 I599 I601 R607 I610 L611F578-L596 HydrophobicContact CE1-CD2 4.17Å; F578-L596 HydrophobicContact CZ-CD2 3.81Å; T592-L596 WeakPolarHBondContact O-CG 3.29Å; T592-L596 PolarHBondContact O-N 2.94Å; T592-L596 VanDerWaalsContact O-N 3.1Å; S594-L596 VanDerWaalsContact C-N 3.28Å; S594-L596 PolarHBondContact O-N 3.1Å; L596-I599 HydrophobicContact CD2-CD1 3.93Å; L596-I599 WeakPolarHBondContact O-CG1 3.28Å; L596-I601 HydrophobicContact CD2-CD1 4.19Å; L596-I601 WeakPolarHBondContact O-CA 3.48Å; L596-I601 VanDerWaalsContact O-CB 3.24Å; L596-I601 WeakPolarHBondContact O-CB 3.33Å; L596-I601 PolarHBondContact O-N 2.94Å; L596-R607 HydrophobicContact CB-CG 3.84Å; L596-R607 HydrophobicContact CD1-CB 4Å; L596-R607 HydrophobicContact CD1-CG 4.13Å; L596-I610 HydrophobicContact CD1-CG2 4.34Å; L596-I610 HydrophobicContact CD2-CG2 4.35Å; L596-L611 HydrophobicContact CD1-CD1 4.15Å; L596-L611 HydrophobicContact CD1-CD2 3.99Å; L596-L611 HydrophobicContact CD1-CG 3.75Å
597K79.9Confident82.2Confident86 Ų8654.1 Ų54.137%0.37431%0.307SS..Hα-helixtrans-71.2-37.6172.2-72.7171.1-168.61480111.5D593 S594 D595 I599 G600 H602 R607D593-K597 WeakPolarHBondContact O-CG 3.48Å; D593-K597 PolarHBondContact O-N 2.99Å; D593-K597 WeakPolarHBondContact OD2-CE 3.4Å; D593-K597 IonicContact OD2-NZ 2.61Å; D593-K597 PolarHBondContact OD2-NZ 3.37Å; S594-K597 WeakPolarHBondContact O-CA 3.44Å; S594-K597 WeakPolarHBondContact O-CB 3.35Å; S594-K597 PolarHBondContact O-N 2.71Å; D595-K597 VanDerWaalsContact C-N 3.27Å; D595-K597 PolarHBondContact O-N 2.94Å; K597-I599 VanDerWaalsContact C-N 3.32Å; K597-G600 PolarHBondContact O-N 2.94Å; K597-H602 PolarHBondContact O-CE1 2.67Å; K597-H602 VanDerWaalsContact O-CE1 3.29Å; K597-R607 VanDerWaalsContact CE-NH2 3.33Å
598E79.2Confident82.4Confident158 Ų15858.6 Ų58.674%0.73832%0.319SS*.Hα-helixtrans-66-36.4-178.2-165.4170.9176.300111.7S594 D595 G600S594-E598 PolarHBondContact O-N 3.38Å; D595-E598 WeakPolarHBondContact O-CB 3.41Å; D595-E598 PolarHBondContact O-N 2.94Å; E598-G600 PolarHBondContact O-N 3.36Å
599I76Confident82.6Confident14 Ų1461 Ų617%0.07233%0.33CS..THydrogen-bonded Turntrans-79.56172.469.5174.9000113.8N577 F578 H581 I583 D595 L596 K597 I601N577-I599 WeakPolarHBondContact CB-O 3.47Å; N577-I599 VanDerWaalsContact CG-O 3.3Å; N577-I599 PolarHBondContact ND2-O 3.41Å; F578-I599 HydrophobicContact CD1-CD1 4.21Å; F578-I599 HydrophobicContact CE1-CD1 3.83Å; F578-I599 HydrophobicContact CE2-CD1 4.16Å; F578-I599 HydrophobicContact CZ-CD1 3.79Å; H581-I599 HydrophobicContact CB-CG2 4.37Å; I583-I599 HydrophobicContact CD1-CD1 4.03Å; I583-I599 HydrophobicContact CD1-CG2 4Å; D595-I599 PolarHBondContact O-N 3.44Å; L596-I599 HydrophobicContact CD2-CD1 3.93Å; L596-I599 WeakPolarHBondContact O-CG1 3.28Å; K597-I599 VanDerWaalsContact C-N 3.32Å; I599-I601 HydrophobicContact CD1-CD1 3.94Å; I599-I601 HydrophobicContact CD1-CG1 4.39Å; I599-I601 HydrophobicContact CG1-CD1 4.26Å; I599-I601 HydrophobicContact CG1-CG1 4.17Å
600G71.9Confident82.8Confident10 Ų1057.6 Ų57.610%0.10331%0.314CS..THydrogen-bonded Turntrans98.25.3172.200000116.7K597 E598 H602K597-G600 PolarHBondContact O-N 2.94Å; E598-G600 PolarHBondContact O-N 3.36Å; G600-H602 PolarHBondContact O-CD2 3.03Å; G600-H602 PolarHBondContact O-N 3.22Å; G600-H602 VanDerWaalsContact O-N 3.13Å
601I79.1Confident83Confident0 Ų055.6 Ų55.60%030%0.299CS..  trans-87.185.9179.8-50.1178.7000109.6F574 F578 L596 I599 A606 R607 I610F574-I601 HydrophobicContact CB-CD1 3.71Å; F574-I601 HydrophobicContact CB-CG1 4.06Å; F574-I601 HydrophobicContact CD1-CB 4.43Å; F574-I601 HydrophobicContact CD1-CD1 4.3Å; F574-I601 HydrophobicContact CD1-CG1 3.75Å; F574-I601 HydrophobicContact CD1-CG2 4.27Å; F574-I601 HydrophobicContact CD2-CD1 4.36Å; F574-I601 HydrophobicContact CD2-CG1 4.5Å; F574-I601 HydrophobicContact CD2-CG2 4.18Å; F574-I601 HydrophobicContact CE1-CG1 4.35Å; F574-I601 HydrophobicContact CE1-CG2 4.16Å; F574-I601 HydrophobicContact CE2-CG2 4.09Å; F574-I601 HydrophobicContact CG-CD1 3.86Å; F574-I601 HydrophobicContact CG-CG1 3.83Å; F574-I601 HydrophobicContact CG-CG2 4.28Å; F574-I601 HydrophobicContact CZ-CG2 4.08Å; F578-I601 HydrophobicContact CE2-CD1 3.57Å; F578-I601 HydrophobicContact CZ-CD1 3.81Å; L596-I601 HydrophobicContact CD2-CD1 4.19Å; L596-I601 WeakPolarHBondContact O-CA 3.48Å; L596-I601 VanDerWaalsContact O-CB 3.24Å; L596-I601 WeakPolarHBondContact O-CB 3.33Å; L596-I601 PolarHBondContact O-N 2.94Å; I599-I601 HydrophobicContact CD1-CD1 3.94Å; I599-I601 HydrophobicContact CD1-CG1 4.39Å; I599-I601 HydrophobicContact CG1-CD1 4.26Å; I599-I601 HydrophobicContact CG1-CG1 4.17Å; I601-A606 HydrophobicContact CG2-CB 4.01Å; I601-R607 HydrophobicContact CB-CG 4.16Å; I601-R607 HydrophobicContact CG2-CG 3.73Å; I601-R607 WeakPolarHBondContact O-CD 3.41Å; I601-R607 VanDerWaalsContact O-CG 3.26Å; I601-R607 WeakPolarHBondContact O-CG 3.32Å; I601-R607 PolarHBondContact O-NH1 3.28Å; I601-I610 HydrophobicContact CD1-CD1 3.78Å; I601-I610 HydrophobicContact CG2-CD1 4.46Å
602H79.4Confident83.1Confident130 Ų13059.7 Ų59.760%0.60231%0.313SS*.  trans-85.9-16.6-177.5-61-58.6000114.4K597 G600 L604 R607K597-H602 PolarHBondContact O-CE1 2.67Å; K597-H602 VanDerWaalsContact O-CE1 3.29Å; G600-H602 PolarHBondContact O-CD2 3.03Å; G600-H602 PolarHBondContact O-N 3.22Å; G600-H602 VanDerWaalsContact O-N 3.13Å; H602-L604 PolarHBondContact O-N 2.61Å; H602-R607 PolarHBondContact O-NH1 3.22Å
603A82.2Confident83.1Confident51 Ų5157.2 Ų57.242%0.42130%0.296SS..  trans-69.3116176.200000111.6G605 A606 R607A603-G605 VanDerWaalsContact C-N 3.3Å; A603-G605 PolarHBondContact O-N 3.44Å; A603-A606 HydrophobicContact CB-CB 4.01Å; A603-A606 PolarHBondContact O-N 2.85Å; A603-R607 PolarHBondContact O-N 3.45Å; A603-R607 VanDerWaalsContact O-N 3.09Å
604L81.7Confident83.1Confident91 Ų9155.2 Ų55.248%0.47629%0.286SS..Hα-helixtrans-63.1-35.2-176.4-171.3124.8000112.9H602 R608H602-L604 PolarHBondContact O-N 2.61Å; L604-R608 WeakPolarHBondContact O-CG 3.4Å; L604-R608 PolarHBondContact O-N 2.84Å
605G84.9Confident83.2Confident52 Ų5253.3 Ų53.354%0.53628%0.277SS..Hα-helixtrans-63.5-48.6175.300000112.3A603 R608 E609A603-G605 VanDerWaalsContact C-N 3.3Å; A603-G605 PolarHBondContact O-N 3.44Å; G605-R608 PolarHBondContact O-N 3.34Å; G605-E609 WeakPolarHBondContact O-CB 3.48Å; G605-E609 PolarHBondContact O-N 3.23Å
606A83.6Confident83.2Confident13 Ų1354.7 Ų54.711%0.10728%0.284CS..Hα-helixtrans-60.5-47.4178.200000111.8F574 I601 A603 R608 E609 I610F574-A606 HydrophobicContact CD2-CB 4.33Å; F574-A606 HydrophobicContact CE2-CB 3.56Å; F574-A606 HydrophobicContact CZ-CB 4.21Å; I601-A606 HydrophobicContact CG2-CB 4.01Å; A603-A606 HydrophobicContact CB-CB 4.01Å; A603-A606 PolarHBondContact O-N 2.85Å; A606-R608 VanDerWaalsContact C-N 3.34Å; A606-R608 PolarHBondContact O-N 2.9Å; A606-E609 PolarHBondContact O-N 3.42Å; A606-I610 WeakPolarHBondContact O-CB 3.34Å; A606-I610 WeakPolarHBondContact O-CG1 3.47Å; A606-I610 PolarHBondContact O-N 3.19Å
607R88Confident83.1Confident11 Ų1156.4 Ų56.44%0.04229%0.291CS..Hα-helixtrans-58.2-45.1178-69.7-160.6-60.3-81.3-5.9112.6D593 L596 K597 I601 H602 A603 L611D593-R607 WeakPolarHBondContact OD1-CD 3.33Å; D593-R607 IonicContact OD1-CZ 2.8Å; D593-R607 IonicContact OD1-NE 3.69Å; D593-R607 PolarHBondContact OD1-NE 3.15Å; D593-R607 IonicContact OD1-NH2 3.89Å; D593-R607 IonicContact OD2-NE 2.77Å; L596-R607 HydrophobicContact CB-CG 3.84Å; L596-R607 HydrophobicContact CD1-CB 4Å; L596-R607 HydrophobicContact CD1-CG 4.13Å; K597-R607 VanDerWaalsContact CE-NH2 3.33Å; I601-R607 HydrophobicContact CB-CG 4.16Å; I601-R607 HydrophobicContact CG2-CG 3.73Å; I601-R607 WeakPolarHBondContact O-CD 3.41Å; I601-R607 VanDerWaalsContact O-CG 3.26Å; I601-R607 WeakPolarHBondContact O-CG 3.32Å; I601-R607 PolarHBondContact O-NH1 3.28Å; H602-R607 PolarHBondContact O-NH1 3.22Å; A603-R607 PolarHBondContact O-N 3.45Å; A603-R607 VanDerWaalsContact O-N 3.09Å; R607-L611 VanDerWaalsContact O-CG 3.31Å; R607-L611 WeakPolarHBondContact O-CG 3.39Å; R607-L611 PolarHBondContact O-N 2.98Å; R607-L611 VanDerWaalsContact O-N 3.08Å
608R86.1Confident83.2Confident167 Ų16757 Ų5763%0.6329%0.294SS*.Hα-helixtrans-64.4-42.4178.6-75.3-179175.9-175.1-0111.9L604 G605 A606 R612L604-R608 WeakPolarHBondContact O-CG 3.4Å; L604-R608 PolarHBondContact O-N 2.84Å; G605-R608 PolarHBondContact O-N 3.34Å; A606-R608 VanDerWaalsContact C-N 3.34Å; A606-R608 PolarHBondContact O-N 2.9Å; R608-R612 VanDerWaalsContact O-CB 3.3Å; R608-R612 WeakPolarHBondContact O-CB 3.38Å; R608-R612 PolarHBondContact O-N 3.47Å
609E87.9Confident83.1Confident52 Ų5255.4 Ų55.424%0.24329%0.288CS..Hα-helixtrans-69.5-40.4-178.6-17655.4-152.800111.8A569 G605 A606 R612 Q613A569-E609 HydrophobicContact CB-CG 3.92Å; A569-E609 WeakPolarHBondContact O-CG 3.36Å; G605-E609 WeakPolarHBondContact O-CB 3.48Å; G605-E609 PolarHBondContact O-N 3.23Å; A606-E609 PolarHBondContact O-N 3.42Å; E609-R612 WeakPolarHBondContact O-CB 3.38Å; E609-R612 PolarHBondContact O-N 3.38Å; E609-R612 IonicContact OE1-CZ 2.71Å; E609-R612 IonicContact OE1-NE 3.39Å; E609-R612 PolarHBondContact OE1-NE 3.14Å; E609-R612 IonicContact OE1-NH2 2.78Å; E609-R612 PolarHBondContact OE1-NH2 3.42Å; E609-R612 IonicContact OE2-CZ 2.91Å; E609-R612 IonicContact OE2-NE 2.82Å; E609-R612 PolarHBondContact OE2-NE 3.01Å; E609-R612 IonicContact OE2-NH2 2.73Å; E609-R612 PolarHBondContact OE2-NH2 3.39Å; E609-Q613 VanDerWaalsContact O-CG 3.29Å; E609-Q613 WeakPolarHBondContact O-CG 3.33Å; E609-Q613 PolarHBondContact O-N 2.87Å; E609-Q613 WeakPolarHBondContact OE1-CG 3.44Å; E609-Q613 PolarHBondContact OE1-NE2 2.91Å
610I86.3Confident82.9Confident0 Ų061 Ų610%031%0.311CS..Hα-helixtrans-58.6-52.2172.7-68.5167.2000110.4L566 A569 F574 F578 L596 I601 A606 R612 Q613 I614L566-I610 HydrophobicContact CD2-CD1 3.99Å; L566-I610 HydrophobicContact CD2-CG1 4.02Å; A569-I610 HydrophobicContact CB-CG1 4.04Å; F574-I610 HydrophobicContact CD2-CD1 4.47Å; F578-I610 HydrophobicContact CE2-CD1 4.49Å; F578-I610 HydrophobicContact CZ-CD1 4.42Å; F578-I610 HydrophobicContact CZ-CG2 4.36Å; L596-I610 HydrophobicContact CD1-CG2 4.34Å; L596-I610 HydrophobicContact CD2-CG2 4.35Å; I601-I610 HydrophobicContact CD1-CD1 3.78Å; I601-I610 HydrophobicContact CG2-CD1 4.46Å; A606-I610 WeakPolarHBondContact O-CB 3.34Å; A606-I610 WeakPolarHBondContact O-CG1 3.47Å; A606-I610 PolarHBondContact O-N 3.19Å; I610-R612 VanDerWaalsContact C-N 3.27Å; I610-R612 PolarHBondContact O-N 2.91Å; I610-Q613 PolarHBondContact O-N 3.22Å; I610-Q613 VanDerWaalsContact O-N 3.16Å; I610-I614 HydrophobicContact CG2-CD1 3.74Å; I610-I614 HydrophobicContact CG2-CG1 4.43Å; I610-I614 VanDerWaalsContact O-CG1 3.26Å; I610-I614 WeakPolarHBondContact O-CG1 3.4Å; I610-I614 PolarHBondContact O-N 2.97Å
611L88.1Confident82.7Confident58 Ų5862 Ų6230%0.30432%0.316SS..Hα-helixtrans-60.6-37178.3-68.9172.7000112.3M591 D593 L596 R607 I614 G615M591-L611 WeakPolarHBondContact O-CD2 3.36Å; D593-L611 HydrophobicContact CB-CD1 4.41Å; L596-L611 HydrophobicContact CD1-CD1 4.15Å; L596-L611 HydrophobicContact CD1-CD2 3.99Å; L596-L611 HydrophobicContact CD1-CG 3.75Å; R607-L611 VanDerWaalsContact O-CG 3.31Å; R607-L611 WeakPolarHBondContact O-CG 3.39Å; R607-L611 PolarHBondContact O-N 2.98Å; R607-L611 VanDerWaalsContact O-N 3.08Å; L611-I614 HydrophobicContact CD2-CD1 4.34Å; L611-G615 PolarHBondContact O-N 2.99Å; L611-G615 VanDerWaalsContact O-N 3.13Å
612R87Confident81.9Confident119 Ų11966.2 Ų66.245%0.44934%0.338SS..Hα-helixtrans-64.3-44.1175.7-168.2-172.972.874.7-3111.6R608 E609 I610 G615 L616R608-R612 VanDerWaalsContact O-CB 3.3Å; R608-R612 WeakPolarHBondContact O-CB 3.38Å; R608-R612 PolarHBondContact O-N 3.47Å; E609-R612 WeakPolarHBondContact O-CB 3.38Å; E609-R612 PolarHBondContact O-N 3.38Å; E609-R612 IonicContact OE1-CZ 2.71Å; E609-R612 IonicContact OE1-NE 3.39Å; E609-R612 PolarHBondContact OE1-NE 3.14Å; E609-R612 IonicContact OE1-NH2 2.78Å; E609-R612 PolarHBondContact OE1-NH2 3.42Å; E609-R612 IonicContact OE2-CZ 2.91Å; E609-R612 IonicContact OE2-NE 2.82Å; E609-R612 PolarHBondContact OE2-NE 3.01Å; E609-R612 IonicContact OE2-NH2 2.73Å; E609-R612 PolarHBondContact OE2-NH2 3.39Å; I610-R612 VanDerWaalsContact C-N 3.27Å; I610-R612 PolarHBondContact O-N 2.91Å; R612-G615 PolarHBondContact O-N 3.37Å; R612-L616 PolarHBondContact O-N 3.02Å
613Q86.5Confident80.7Confident21 Ų2165.4 Ų65.410%0.09834%0.338CS..Hα-helixtrans-72-34.6-180-67.6-70.4-1.800112.6I565 N568 A569 E609 I610 G615 L616 Y617I565-Q613 HydrophobicContact CG2-CB 3.92Å; N568-Q613 HydrophobicContact CB-CG 4.19Å; N568-Q613 PolarHBondContact O-NE2 3.32Å; A569-Q613 HydrophobicContact CB-CB 4.31Å; A569-Q613 HydrophobicContact CB-CG 3.86Å; E609-Q613 VanDerWaalsContact O-CG 3.29Å; E609-Q613 WeakPolarHBondContact O-CG 3.33Å; E609-Q613 PolarHBondContact O-N 2.87Å; E609-Q613 WeakPolarHBondContact OE1-CG 3.44Å; E609-Q613 PolarHBondContact OE1-NE2 2.91Å; I610-Q613 PolarHBondContact O-N 3.22Å; I610-Q613 VanDerWaalsContact O-N 3.16Å; Q613-G615 VanDerWaalsContact C-N 3.28Å; Q613-G615 PolarHBondContact O-N 2.94Å; Q613-L616 PolarHBondContact O-N 3.43Å; Q613-Y617 WeakPolarHBondContact O-CB 3.46Å; Q613-Y617 PolarHBondContact O-N 2.93Å
614I85.5Confident79.3Confident12 Ų1269.5 Ų69.56%0.06235%0.349CS..Hα-helixtrans-57.1-46.1169.4-67.5162.1000109.8I565 M588 I610 L611 Y617 K618I565-I614 HydrophobicContact CG2-CG1 3.89Å; M588-I614 HydrophobicContact CE-CG1 4.08Å; M588-I614 HydrophobicContact CG-CD1 3.62Å; M588-I614 HydrophobicContact CG-CG1 4.06Å; M588-I614 HydrophobicContact SD-CD1 4.34Å; M588-I614 HydrophobicContact SD-CG1 4.49Å; I610-I614 HydrophobicContact CG2-CD1 3.74Å; I610-I614 HydrophobicContact CG2-CG1 4.43Å; I610-I614 VanDerWaalsContact O-CG1 3.26Å; I610-I614 WeakPolarHBondContact O-CG1 3.4Å; I610-I614 PolarHBondContact O-N 2.97Å; L611-I614 HydrophobicContact CD2-CD1 4.34Å; I614-Y617 PolarHBondContact O-N 3.46Å; I614-K618 WeakPolarHBondContact O-CB 3.42Å; I614-K618 PolarHBondContact O-N 3.47Å
615G84.4Confident77.6Confident34 Ų3469.7 Ų69.735%0.35135%0.35SS..Hα-helixtrans-60.9-46.6175.600000113.1L611 R612 Q613 K618 M619L611-G615 PolarHBondContact O-N 2.99Å; L611-G615 VanDerWaalsContact O-N 3.13Å; R612-G615 PolarHBondContact O-N 3.37Å; Q613-G615 VanDerWaalsContact C-N 3.28Å; Q613-G615 PolarHBondContact O-N 2.94Å; G615-K618 PolarHBondContact O-N 3.44Å; G615-M619 WeakPolarHBondContact O-CG 3.24Å; G615-M619 PolarHBondContact O-N 2.92Å; G615-M619 VanDerWaalsContact O-N 3.16Å
616L85.2Confident75.7Confident69 Ų6975.6 Ų75.636%0.36136%0.361SS..Hα-helixtrans-65.6-39.7178.2-73.9-173.9000113.3R612 Q613 K618 M619 K620R612-L616 PolarHBondContact O-N 3.02Å; Q613-L616 PolarHBondContact O-N 3.43Å; L616-K618 VanDerWaalsContact C-N 3.35Å; L616-M619 PolarHBondContact O-N 3.35Å; L616-K620 PolarHBondContact O-N 3.42Å
617Y83Confident73.6Confident37 Ų3780.3 Ų80.315%0.14539%0.389CS..Hα-helixtrans-64.8-43.5178.6-161.4-101.2000110.4D561 I564 I565 Y585 Q613 I614 M619 K620 T621D561-Y617 HydrophobicContact CB-CE1 4.16Å; D561-Y617 PolarHBondContact OD1-OH 3.26Å; I564-Y617 HydrophobicContact CB-CE2 4.43Å; I564-Y617 HydrophobicContact CG2-CD2 4.32Å; I564-Y617 HydrophobicContact CG2-CE2 3.73Å; I565-Y617 HydrophobicContact CD1-CD1 3.77Å; I565-Y617 HydrophobicContact CD1-CE1 4.38Å; I565-Y617 HydrophobicContact CD1-CG 3.82Å; I565-Y617 HydrophobicContact CG1-CD1 4.14Å; I565-Y617 HydrophobicContact CG1-CD2 3.99Å; I565-Y617 HydrophobicContact CG1-CG 3.73Å; Y585-Y617 HydrophobicContact CE1-CE1 4.48Å; Y585-Y617 AromaticContact CE2-CD1 3.72Å; Y585-Y617 HydrophobicContact CE2-CD1 3.72Å; Y585-Y617 HydrophobicContact CE2-CE1 4.21Å; Y585-Y617 AromaticContact CZ-CD1 3.68Å; Q613-Y617 WeakPolarHBondContact O-CB 3.46Å; Q613-Y617 PolarHBondContact O-N 2.93Å; I614-Y617 PolarHBondContact O-N 3.46Å; Y617-M619 PolarHBondContact O-N 3Å; Y617-K620 PolarHBondContact O-N 3.33Å; Y617-K620 VanDerWaalsContact O-N 3.08Å; Y617-T621 HydrophobicContact CD1-CG2 3.85Å; Y617-T621 HydrophobicContact CE1-CG2 3.71Å; Y617-T621 WeakPolarHBondContact O-CG2 3.4Å; Y617-T621 PolarHBondContact O-N 2.9Å; Y617-T621 PolarHBondContact O-OG1 3.37Å
618K80.9Confident70.8Confident98 Ų9886.9 Ų86.943%0.42642%0.424SS..Hα-helixtrans-57.8-34.2173.1-171.8173.9-176169.50113I614 G615 L616 T621 N622I614-K618 WeakPolarHBondContact O-CB 3.42Å; I614-K618 PolarHBondContact O-N 3.47Å; G615-K618 PolarHBondContact O-N 3.44Å; L616-K618 VanDerWaalsContact C-N 3.35Å; K618-T621 PolarHBondContact O-OG1 3.35Å; K618-N622 WeakPolarHBondContact O-CB 3.43Å; K618-N622 PolarHBondContact O-N 2.98Å; K618-N622 PolarHBondContact O-ND2 3.35Å
619M77Confident68.2Low124 Ų12485.1 Ų85.161%0.61143%0.427SS*.Hα-helixtrans-71.6-42.5174.6-67.1-177.681.800112G615 L616 Y617 N622 D623G615-M619 WeakPolarHBondContact O-CG 3.24Å; G615-M619 PolarHBondContact O-N 2.92Å; G615-M619 VanDerWaalsContact O-N 3.16Å; L616-M619 PolarHBondContact O-N 3.35Å; Y617-M619 PolarHBondContact O-N 3Å; M619-N622 PolarHBondContact O-N 2.98Å; M619-D623 PolarHBondContact O-N 3.45Å; M619-D623 VanDerWaalsContact O-N 3.14Å
620K72.4Confident65.4Low132 Ų13289 Ų8957%0.57445%0.454SS*.Hα-helixtrans-63.9-45.1177.5-73.8-176.8177.3-176.90112.6L616 Y617 N622 D623 E624L616-K620 PolarHBondContact O-N 3.42Å; Y617-K620 PolarHBondContact O-N 3.33Å; Y617-K620 VanDerWaalsContact O-N 3.08Å; K620-N622 VanDerWaalsContact C-N 3.31Å; K620-N622 PolarHBondContact O-N 3.03Å; K620-D623 PolarHBondContact O-N 3.35Å; K620-E624 PolarHBondContact O-N 2.88Å; K620-E624 VanDerWaalsContact O-N 3.09Å
621T68Low62.9Low32 Ų3297.1 Ų97.120%0.19650%0.496CS..Hα-helixtrans-64.5-38.3178.757.80000111.3Y617 K618 D623 E624 D625Y617-T621 HydrophobicContact CD1-CG2 3.85Å; Y617-T621 HydrophobicContact CE1-CG2 3.71Å; Y617-T621 WeakPolarHBondContact O-CG2 3.4Å; Y617-T621 PolarHBondContact O-N 2.9Å; Y617-T621 PolarHBondContact O-OG1 3.37Å; K618-T621 PolarHBondContact O-OG1 3.35Å; T621-D623 VanDerWaalsContact C-N 3.3Å; T621-D623 PolarHBondContact O-N 3Å; T621-E624 PolarHBondContact O-N 3.47Å; T621-D625 WeakPolarHBondContact O-CB 3.38Å; T621-D625 PolarHBondContact O-N 3.21Å
622N62.7Low60.2Low88 Ų88103.3 Ų103.347%0.47152%0.524SS..Hα-helixtrans-67-28.5176.1-74.9-11.6000113.5K618 M619 K620K618-N622 WeakPolarHBondContact O-CB 3.43Å; K618-N622 PolarHBondContact O-N 2.98Å; K618-N622 PolarHBondContact O-ND2 3.35Å; M619-N622 PolarHBondContact O-N 2.98Å; K620-N622 VanDerWaalsContact C-N 3.31Å; K620-N622 PolarHBondContact O-N 3.03Å
623D53.3Low57.5Low112 Ų112103.3 Ų103.360%0.59954%0.542SS*.Hα-helixtrans-77.6-34.3175-82.8-25.2000111.8M619 K620 T621M619-D623 PolarHBondContact O-N 3.45Å; M619-D623 VanDerWaalsContact O-N 3.14Å; K620-D623 PolarHBondContact O-N 3.35Å; T621-D623 VanDerWaalsContact C-N 3.3Å; T621-D623 PolarHBondContact O-N 3Å
624E52.5Low54.8Low138 Ų138110 Ų11065%0.64558%0.577SS**Hα-helixtrans-74.4-36.5175.1-70.8-177174.100112.6K620 T621 K626 T627K620-E624 PolarHBondContact O-N 2.88Å; K620-E624 VanDerWaalsContact O-N 3.09Å; T621-E624 PolarHBondContact O-N 3.47Å; E624-K626 PolarHBondContact O-N 2.69Å; E624-K626 VanDerWaalsContact O-N 3.13Å; E624-T627 PolarHBondContact O-N 3.37Å; E624-T627 PolarHBondContact O-OG1 2.89Å
625D47.1Very low52.4Low94 Ų94115.1 Ų115.150%0.50361%0.611SS.*THydrogen-bonded Turntrans-65.2-14.8177.6-81.7-21.3000113.5T621 T627 N629T621-D625 WeakPolarHBondContact O-CB 3.38Å; T621-D625 PolarHBondContact O-N 3.21Å; D625-T627 VanDerWaalsContact C-N 3.25Å; D625-T627 PolarHBondContact O-N 3.36Å; D625-N629 PolarHBondContact O-ND2 3.01Å
626K44.8Very low50Low176 Ų176121.1 Ų121.177%0.76563%0.633SS**THydrogen-bonded Turntrans-74.4-12.9170-81.7-176.1-179.7170.40113.9E624E624-K626 PolarHBondContact O-N 2.69Å; E624-K626 VanDerWaalsContact O-N 3.13Å
627T39Very low47.7Very low113 Ų113122.9 Ų122.969%0.69365%0.649SS**THydrogen-bonded Turntrans-109.4-12-175.436.40000116E624 D625E624-T627 PolarHBondContact O-N 3.37Å; E624-T627 PolarHBondContact O-OG1 2.89Å; D625-T627 VanDerWaalsContact C-N 3.25Å; D625-T627 PolarHBondContact O-N 3.36Å
628L30Very low45.3Very low148 Ų148132.2 Ų132.278%0.77569%0.686SS**  trans-138.562.3-174.1-80.5144.1000112.3
629N30.5Very low43.2Very low130 Ų130133.7 Ų133.770%0.69570%0.703SS**  trans-122.365.2171.4-88-46.4000111.2D625D625-N629 PolarHBondContact O-ND2 3.01Å
630T30Very low41.1Very low134 Ų134133.8 Ų133.882%0.82271%0.71SS**  trans-148.299.2157-23.80000108.5
631I32.8Very low39.4Very low170 Ų170133.3 Ų133.387%0.87272%0.721SS**  trans-174114.1137.3-86.4145.4000106.1
632E32.5Very low38Very low189 Ų189137.5 Ų137.588%0.88375%0.751SS**PPolyproline II helixtrans-60.4129.6178.7-74.2166.4128.500111.9
633S28.4Very low37Very low118 Ų118137.5 Ų137.583%0.82576%0.764SS**PPolyproline II helixtrans-76.2116.516748.80000110.7
634L30.9Very low36.4Very low163 Ų163138 Ų13885%0.85377%0.773SS**PPolyproline II helixtrans-90.2137.4163.8-83.5161.4000110.2
635P35.2Very low35.7Very low118 Ų118140.8 Ų140.877%0.76679%0.786SS**PPolyproline II helixtrans-83.8128.1-169.332.2-32.7000111.7
636I33.1Very low35.2Very low160 Ų160140.7 Ų140.782%0.82180%0.798SS**PPolyproline II helixtrans-97.7125.4172-58.8174.1000108.1
637P37Very low34.6Very low106 Ų106138.1 Ų138.169%0.68880%0.797SS**PPolyproline II helixtrans-77.7142.8-173.918.8-11.6000112.4V639P637-V639 PolarHBondContact O-N 2.9Å; P637-V639 VanDerWaalsContact O-N 3.14Å
638Y32.5Very low34.3Very low234 Ų234140.8 Ų140.892%0.91881%0.806SS**  trans-53.4108.8174.2-79.4-98.9000111.6
639V36.9Very low34.3Very low129 Ų129138.3 Ų138.378%0.78280%0.802SS**  trans-99.7116.3162.6-178.80000107.2P637 P641P637-V639 PolarHBondContact O-N 2.9Å; P637-V639 VanDerWaalsContact O-N 3.14Å; V639-P641 WeakPolarHBondContact O-CD 3.31Å
640T34.1Very low34.2Very low126 Ų126137.3 Ų137.377%0.77380%0.804SS**  trans-68.5117.5170.438.20000109.3S642T640-S642 PolarHBondContact O-N 3.34Å
641P36.9Very low34.2Very low122 Ų122137.9 Ų137.979%0.79280%0.801SS**  trans-78.6105.317729.4-29.4000109.5V639 A643V639-P641 WeakPolarHBondContact O-CD 3.31Å; P641-A643 PolarHBondContact O-N 3.45Å
642S37.5Very low34Very low120 Ų120135.4 Ų135.484%0.83979%0.794SS**  trans-74.598.3161.6-1740000107.6T640T640-S642 PolarHBondContact O-N 3.34Å
643A41.7Very low33.9Very low88 Ų88131.9 Ų131.973%0.72779%0.785SS**  trans-66.8129.6177.800000110.2P641P641-A643 PolarHBondContact O-N 3.45Å
644P40.1Very low33.9Very low121 Ų121131 Ų13179%0.78678%0.779SS**  trans-77.5148.9-178.5110.7000112.2A646P644-A646 PolarHBondContact O-N 3.43Å
645E38.6Very low34Very low198 Ų198130.2 Ų130.293%0.92578%0.775SS**  trans-50.8101.6175-70.4175.6156.100111.2T647E645-T647 PolarHBondContact O-N 2.95Å; E645-T647 VanDerWaalsContact O-N 3.16Å
646A36.3Very low33.6Very low91 Ų91132.7 Ų132.775%0.75278%0.777SS**  trans-74.4105.417100000108.2P644 L648P644-A646 PolarHBondContact O-N 3.43Å; A646-L648 PolarHBondContact O-N 3.27Å
647T32.1Very low33.4Very low123 Ų123131.6 Ų131.676%0.75578%0.777SS**  trans-43.3119.7166.123.60000110.2E645 S649E645-T647 PolarHBondContact O-N 2.95Å; E645-T647 VanDerWaalsContact O-N 3.16Å; T647-S649 VanDerWaalsContact C-N 3.25Å; T647-S649 PolarHBondContact O-N 3.45Å; T647-S649 PolarHBondContact O-OG 3.4Å
648L32.4Very low32.8Very low168 Ų168130.8 Ų130.888%0.8877%0.77SS**  trans-50.793.2168.5-95.582.6000108.6A646 S650A646-L648 PolarHBondContact O-N 3.27Å; L648-S650 PolarHBondContact O-N 2.89Å
649S31Very low32.4Very low97 Ų97123.4 Ų123.468%0.67876%0.758SS**  trans-80.898.5167.9-59.60000104.6T647 I651T647-S649 VanDerWaalsContact C-N 3.25Å; T647-S649 PolarHBondContact O-N 3.45Å; T647-S649 PolarHBondContact O-OG 3.4Å; S649-I651 PolarHBondContact O-N 3.29Å
650S28.5Very low32.3Very low108 Ų108126 Ų12676%0.75575%0.753SS**  trans-54.584.9176-43.80000109.9L648 V652L648-S650 PolarHBondContact O-N 2.89Å; S650-V652 VanDerWaalsContact C-N 3.32Å; S650-V652 PolarHBondContact O-N 2.93Å
651I28.8Very low32.7Very low147 Ų147123.9 Ų123.975%0.75474%0.736SS**  trans-72.6100.9163.5-65.4170000104.2S649 V653S649-I651 PolarHBondContact O-N 3.29Å; I651-V653 PolarHBondContact O-N 3.37Å
652V29.4Very low33.3Very low118 Ų118123.1 Ų123.172%0.71572%0.721SS**  trans-59.690.2166.6178.80000106.1S650 S654S650-V652 VanDerWaalsContact C-N 3.32Å; S650-V652 PolarHBondContact O-N 2.93Å; V652-S654 VanDerWaalsContact C-N 3.32Å; V652-S654 PolarHBondContact O-N 3.24Å
653V30.9Very low34.9Very low114 Ų114118.7 Ų118.769%0.69169%0.688SS**  trans-61.3106.4163.2-177.40000103.8I651 D655I651-V653 PolarHBondContact O-N 3.37Å; V653-D655 VanDerWaalsContact C-N 3.31Å; V653-D655 PolarHBondContact O-N 2.95Å
654S28.9Very low36.8Very low101 Ų101120.3 Ų120.371%0.70668%0.681SS**  trans-67.199.8175.7-55.10000105.8V652V652-S654 VanDerWaalsContact C-N 3.32Å; V652-S654 PolarHBondContact O-N 3.24Å
655D32Very low38.9Very low145 Ų145114.6 Ų114.678%0.77564%0.644SS**  trans-54.9146.4165.3-83-32.5000109V653V653-D655 VanDerWaalsContact C-N 3.31Å; V653-D655 PolarHBondContact O-N 2.95Å
656E27.4Very low41Very low170 Ų170106.8 Ų106.879%0.79461%0.611SS**  trans84.965.5174.2-56.3-172.8146.700117.6V658E656-V658 HydrophobicContact CB-CG2 4.03Å; E656-V658 HydrophobicContact CG-CG2 4.07Å; E656-V658 PolarHBondContact O-N 2.93Å
657V27.7Very low43.3Very low138 Ų138105.9 Ų105.984%0.83660%0.595SS**  trans-85.874.2137.4-173.70000107.5A659V657-A659 HydrophobicContact CG1-CB 4.22Å; V657-A659 PolarHBondContact O-N 3.32Å
658V24.7Very low45.7Very low89 Ų89102.5 Ų102.554%0.53958%0.577SS.*  trans-77.976.4167.3-176.30000107.2E656 R660E656-V658 HydrophobicContact CB-CG2 4.03Å; E656-V658 HydrophobicContact CG-CG2 4.07Å; E656-V658 PolarHBondContact O-N 2.93Å; V658-R660 HydrophobicContact CG1-CB 4.21Å; V658-R660 HydrophobicContact CG1-CG 3.71Å; V658-R660 PolarHBondContact O-N 3.44Å
659A25.6Very low48.1Very low79 Ų79101.4 Ų101.465%0.65357%0.567SS**  trans-77.267.7167.200000108.8V657 M661V657-A659 HydrophobicContact CG1-CB 4.22Å; V657-A659 PolarHBondContact O-N 3.32Å; A659-M661 VanDerWaalsContact C-N 3.31Å; A659-M661 PolarHBondContact O-N 3.38Å
660R33.3Very low50.3Low184 Ų184102.1 Ų102.169%0.69456%0.563SS**  trans-67.591168.4-94.1175.7161.5144.96.4108.2V658 E662V658-R660 HydrophobicContact CG1-CB 4.21Å; V658-R660 HydrophobicContact CG1-CG 3.71Å; V658-R660 PolarHBondContact O-N 3.44Å; R660-E662 HydrophobicContact CB-CG 4.01Å; R660-E662 WeakPolarHBondContact CD-OE1 3.44Å; R660-E662 HydrophobicContact CG-CG 4.13Å; R660-E662 WeakPolarHBondContact CG-OE1 3.45Å; R660-E662 IonicContact CZ-OE1 3.38Å; R660-E662 IonicContact NE-OE1 3.73Å; R660-E662 PolarHBondContact NE-OE1 3.39Å; R660-E662 PolarHBondContact O-N 2.92Å
661M42.4Very low52.8Low81 Ų8197.8 Ų97.840%0.39953%0.534SS..  trans-73.263.6162.2-86.5-170.3169.800109.3R475 L478 A659 N663R475-M661 HydrophobicContact CB-CE 3.77Å; R475-M661 HydrophobicContact CB-SD 4.45Å; R475-M661 HydrophobicContact CG-CE 3.6Å; L478-M661 HydrophobicContact CD1-CE 4.32Å; L478-M661 HydrophobicContact CD1-CG 4.5Å; L478-M661 HydrophobicContact CD1-SD 4.44Å; A659-M661 VanDerWaalsContact C-N 3.31Å; A659-M661 PolarHBondContact O-N 3.38Å; M661-N663 PolarHBondContact O-N 3.09Å
662E50.7Low55.3Low106 Ų10693.6 Ų93.650%0.49551%0.513SS..  trans-84.695.2176.9-71.6178.5-178.900108.9R660 I672R660-E662 HydrophobicContact CB-CG 4.01Å; R660-E662 WeakPolarHBondContact CD-OE1 3.44Å; R660-E662 HydrophobicContact CG-CG 4.13Å; R660-E662 WeakPolarHBondContact CG-OE1 3.45Å; R660-E662 IonicContact CZ-OE1 3.38Å; R660-E662 IonicContact NE-OE1 3.73Å; R660-E662 PolarHBondContact NE-OE1 3.39Å; R660-E662 PolarHBondContact O-N 2.92Å; E662-I672 HydrophobicContact CG-CD1 4.04Å
663N71.6Confident57.8Low27 Ų2788.3 Ų88.314%0.14448%0.48CS..PPolyproline II helixtrans-92.4119.5172.6-74.8-27.9000110.5L478 M661 I672 C673L478-N663 WeakPolarHBondContact CD1-ND2 3.37Å; L478-N663 WeakPolarHBondContact CD2-ND2 3.37Å; L478-N663 WeakPolarHBondContact CD2-OD1 3.4Å; L478-N663 VanDerWaalsContact CG-ND2 3.26Å; L478-N663 WeakPolarHBondContact CG-ND2 3.43Å; M661-N663 PolarHBondContact O-N 3.09Å; N663-I672 CarbonylContact O-C 3.28Å; N663-I672 VanDerWaalsContact O-CA 3.31Å; N663-I672 WeakPolarHBondContact O-CA 3.45Å; N663-C673 HydrophobicContact CB-CB 4.4Å; N663-C673 PolarHBondContact O-N 3.37Å; N663-C673 PolarHBondContact O-SG 2.91Å
664E80.6Confident60.4Low121 Ų12183.9 Ų83.957%0.56546%0.455SS*.BIsolated β-bridgetrans-69.3137.8171.7-65.4170.1-169.700111.9C666 C673E664-C666 PolarHBondContact O-N 3.44Å; E664-C673 PolarHBondContact O-SG 3.3Å
665C83.2Confident63.1Low1 Ų179 Ų791%0.00742%0.421CS..PPolyproline II helixtrans-58.4129178.2168.60000111V667 C668 Q669 A671 C673 C686C665-V667 PolarHBondContact O-N 3.47Å; C665-V667 VanDerWaalsContact O-N 3.08Å; C665-V667 PolarHBondContact SG-N 2.9Å; C665-V667 VanDerWaalsContact SG-N 3.41Å; C665-C668 WeakPolarHBondContact CB-SG 3.48Å; C665-C668 VanDerWaalsContact SG-SG 3.66Å; C665-Q669 WeakPolarHBondContact O-CA 3.46Å; C665-Q669 PolarHBondContact O-N 3.44Å; C665-A671 WeakPolarHBondContact CB-O 3.42Å; C665-A671 PolarHBondContact N-O 2.92Å; C665-C673 VanDerWaalsContact CA-SG 3.58Å; C665-C686 HydrophobicContact CB-CB 4.01Å; C665-C686 PolarHBondContact SG-N 3.07Å; C665-C686 VanDerWaalsContact SG-N 3.39Å
666C83.9Confident65.6Low35 Ų3572.1 Ų72.124%0.23638%0.384CS..THydrogen-bonded Turntrans-64.6-17.5-178.464.40000114.5E664 C684 P697E664-C666 PolarHBondContact O-N 3.44Å; C666-C684 PolarHBondContact N-O 2.78Å; C666-C684 PolarHBondContact SG-O 3.39Å; C666-P697 VanDerWaalsContact SG-CB 3.56Å
667V83.9Confident68.5Low71 Ų7164 Ų6443%0.4335%0.346SS..THydrogen-bonded Turntrans-90.8-52.6-178.8-178.60000111.7C665 C689 V693 P697C665-V667 PolarHBondContact O-N 3.47Å; C665-V667 VanDerWaalsContact O-N 3.08Å; C665-V667 PolarHBondContact SG-N 2.9Å; C665-V667 VanDerWaalsContact SG-N 3.41Å; V667-C689 HydrophobicContact CB-CB 3.81Å; V667-C689 HydrophobicContact CG1-CB 4.02Å; V667-C689 HydrophobicContact CG2-CB 4.24Å; V667-V693 HydrophobicContact CG2-CG2 4.31Å; V667-P697 HydrophobicContact CG2-CG 4.38Å
668C83.8Confident71.3Confident53 Ų5358.7 Ų58.736%0.35831%0.313SS..THydrogen-bonded Turntrans-92.5-18.1-179.462.50000114.4C665 D670 A671C665-C668 WeakPolarHBondContact CB-SG 3.48Å; C665-C668 VanDerWaalsContact SG-SG 3.66Å; C668-D670 PolarHBondContact O-N 2.95Å; C668-A671 PolarHBondContact SG-N 3.2Å; C668-A671 VanDerWaalsContact SG-N 3.45Å
669Q81.5Confident74.2Confident145 Ų14558.1 Ų58.168%0.67831%0.311SS*.SBendtrans52.237-177.3-56.8-179.26.600113C665C665-Q669 WeakPolarHBondContact O-CA 3.46Å; C665-Q669 PolarHBondContact O-N 3.44Å
670D77.9Confident77.1Confident111 Ų11155.2 Ų55.259%0.59429%0.286SS*.SBendtrans-145.1-64.2-172.6-178.430.7000110C668C668-D670 PolarHBondContact O-N 2.95Å
671A80.2Confident79.6Confident18 Ų1846.5 Ų46.515%0.14925%0.253CS..SBendtrans-75.4148.3-179.400000113.1C665 C668 C686C665-A671 WeakPolarHBondContact CB-O 3.42Å; C665-A671 PolarHBondContact N-O 2.92Å; C668-A671 PolarHBondContact SG-N 3.2Å; C668-A671 VanDerWaalsContact SG-N 3.45Å; A671-C686 HydrophobicContact CB-CB 3.59Å
672I81.7Confident81.7Confident59 Ų5943.2 Ų43.230%0.30324%0.236SC..BIsolated β-bridgetrans-65143.3175.8-57.4165.2000110.6E662 N663 S674 C686 F711E662-I672 HydrophobicContact CG-CD1 4.04Å; N663-I672 CarbonylContact O-C 3.28Å; N663-I672 VanDerWaalsContact O-CA 3.31Å; N663-I672 WeakPolarHBondContact O-CA 3.45Å; I672-S674 PolarHBondContact O-N 3.04Å; I672-C686 WeakPolarHBondContact O-CA 3.42Å; I672-C686 VanDerWaalsContact O-CB 3.24Å; I672-C686 WeakPolarHBondContact O-CB 3.31Å; I672-F711 HydrophobicContact CG2-CZ 4.33Å
673C83.1Confident83.6Confident6 Ų638.3 Ų38.34%0.04121%0.214CC..PPolyproline II helixtrans-65.9122.6174.6-58.70000110N663 E664 C665 V683 C685N663-C673 HydrophobicContact CB-CB 4.4Å; N663-C673 PolarHBondContact O-N 3.37Å; N663-C673 PolarHBondContact O-SG 2.91Å; E664-C673 PolarHBondContact O-SG 3.3Å; C665-C673 VanDerWaalsContact CA-SG 3.58Å; C673-V683 HydrophobicContact CB-CG1 3.74Å; C673-C685 WeakPolarHBondContact CA-O 3.47Å
674S84.3Confident84.3Confident21 Ų2137.3 Ų37.315%0.14721%0.209CC..  trans-130.26.8-174.374.40000112.8I672 C685 K687 Q708 L709I672-S674 PolarHBondContact O-N 3.04Å; S674-C685 PolarHBondContact N-O 3.48Å; S674-K687 PolarHBondContact OG-N 2.98Å; S674-Q708 WeakPolarHBondContact O-CA 3.47Å; S674-Q708 PolarHBondContact O-OE1 3.22Å; S674-Q708 PolarHBondContact OG-OE1 3.48Å; S674-L709 PolarHBondContact O-N 2.74Å
675T84.8Confident84.5Confident0 Ų031.5 Ų31.50%018%0.182CC..EExtended strand (participates in β ladder)trans-132.1127-173.6-54.30000110.9F677 C685 S690 R706 I707 Q708T675-F677 HydrophobicContact CG2-CD1 4.21Å; T675-F677 HydrophobicContact CG2-CE1 4.01Å; T675-C685 PolarHBondContact N-O 3.35Å; T675-S690 PolarHBondContact OG1-OG 2.94Å; T675-R706 HydrophobicContact CG2-CB 3.91Å; T675-R706 HydrophobicContact CG2-CG 4.38Å; T675-I707 CarbonylContact C-O 3.6Å; T675-I707 WeakPolarHBondContact CA-O 3.32Å; T675-Q708 PolarHBondContact OG1-NE2 3.28Å; T675-Q708 PolarHBondContact OG1-OE1 2.95Å
676I86Confident84.7Confident0 Ų031.9 Ų31.90%018%0.184CC..EExtended strand (participates in β ladder)trans-88.4130.6167.4-57.2160.3000108.6E470 L473 L503 L506 V683 R706 I707 L709E470-I676 HydrophobicContact CG-CD1 4.05Å; L473-I676 HydrophobicContact CD1-CD1 4.13Å; L503-I676 HydrophobicContact CD2-CG2 4.4Å; L506-I676 HydrophobicContact CD2-CD1 4.03Å; I676-V683 HydrophobicContact CB-CG2 4.39Å; I676-V683 HydrophobicContact CG1-CG2 3.6Å; I676-R706 WeakPolarHBondContact O-CA 3.45Å; I676-I707 HydrophobicContact CB-CB 4.26Å; I676-I707 HydrophobicContact CD1-CB 4.48Å; I676-I707 HydrophobicContact CD1-CG2 4.37Å; I676-I707 PolarHBondContact N-O 3.12Å; I676-I707 PolarHBondContact O-N 3.48Å; I676-L709 HydrophobicContact CD1-CD2 3.44Å; I676-L709 VanDerWaalsContact CD1-CD2 3.44Å; I676-L709 HydrophobicContact CD1-CG 4.49Å; I676-L709 HydrophobicContact CG1-CD2 3.64Å; I676-L709 HydrophobicContact CG1-CG 4.28Å
677F88.5Confident84.7Confident0 Ų035.7 Ų35.70%020%0.197CC..EExtended strand (participates in β ladder)trans-93.6129.7172.5-66.1-40.9000112T675 C680 G681 H682 C684 C685 C696 I703 R706T675-F677 HydrophobicContact CG2-CD1 4.21Å; T675-F677 HydrophobicContact CG2-CE1 4.01Å; F677-C680 PolarHBondContact O-N 3.27Å; F677-G681 WeakPolarHBondContact O-CA 3.41Å; F677-G681 PolarHBondContact O-N 2.89Å; F677-H682 PolarHBondContact N-O 3.12Å; F677-H682 VanDerWaalsContact N-O 3.11Å; F677-C684 VanDerWaalsContact CE2-SG 3.56Å; F677-C685 HydrophobicContact CE2-CB 4.02Å; F677-C685 HydrophobicContact CZ-CB 3.67Å; F677-C696 HydrophobicContact CD2-CB 4.29Å; F677-I703 HydrophobicContact CB-CG1 4.24Å; F677-I703 HydrophobicContact CB-CG2 4.38Å; F677-I703 HydrophobicContact CD1-CD1 3.74Å; F677-I703 HydrophobicContact CD1-CG1 4.11Å; F677-I703 HydrophobicContact CD1-CG2 3.77Å; F677-I703 HydrophobicContact CD2-CD1 4Å; F677-I703 HydrophobicContact CD2-CG1 4.45Å; F677-I703 HydrophobicContact CE1-CD1 3.72Å; F677-I703 HydrophobicContact CE1-CG2 4.39Å; F677-I703 HydrophobicContact CE2-CD1 3.99Å; F677-I703 HydrophobicContact CG-CD1 3.88Å; F677-I703 HydrophobicContact CG-CG1 4.04Å; F677-I703 HydrophobicContact CG-CG2 4.33Å; F677-I703 HydrophobicContact CZ-CD1 3.85Å; F677-R706 HydrophobicContact CD1-CG 4.11Å; F677-R706 HydrophobicContact CE1-CG 4.22Å
678L85.6Confident84.8Confident25 Ų2539.1 Ų39.113%0.13121%0.206CC..EExtended strand (participates in β ladder)trans-103.2143.3170.5-66.1-178.4000110.6L503 H704 N705 I707L503-L678 HydrophobicContact CD1-CD2 4.35Å; L503-L678 HydrophobicContact CD2-CD2 3.74Å; L503-L678 HydrophobicContact CG-CD2 4.47Å; L678-H704 PolarHBondContact O-N 3.14Å; L678-N705 HydrophobicContact CB-CB 4.02Å; L678-N705 HydrophobicContact CD1-CB 3.99Å; L678-N705 HydrophobicContact CG-CB 4.45Å; L678-N705 PolarHBondContact N-O 3.24Å; L678-N705 PolarHBondContact O-N 3.39Å; L678-I707 HydrophobicContact CD1-CD1 3.67Å; L678-I707 HydrophobicContact CD1-CG1 4.3Å; L678-I707 HydrophobicContact CD2-CD1 4.48Å; L678-I707 HydrophobicContact CG-CD1 4.12Å
679P85.2Confident85Confident77 Ų7737.4 Ų37.450%0.519%0.194SC..THydrogen-bonded Turncis-89.80.89.135.4-35.5000114.7L503 G681 N702L503-P679 WeakPolarHBondContact CD1-O 3.41Å; P679-G681 PolarHBondContact O-N 2.7Å; P679-N702 WeakPolarHBondContact CD-O 3.36Å
680C87.6Confident85.3Confident19 Ų1930.6 Ų30.613%0.12816%0.162CC..THydrogen-bonded Turntrans-82.7-11.2-168.574.50000115.6R499 F677 H682 C699R499-C680 WeakPolarHBondContact CD-O 3.36Å; F677-C680 PolarHBondContact O-N 3.27Å; C680-H682 VanDerWaalsContact C-N 3.28Å; C680-H682 PolarHBondContact O-N 2.86Å; C680-H682 PolarHBondContact SG-ND1 3.46Å; C680-H682 VanDerWaalsContact SG-ND1 3.45Å; C680-C699 WeakPolarHBondContact CB-SG 3.42Å; C680-C699 VanDerWaalsContact SG-SG 3.64Å
681G84.8Confident85.8Confident0 Ų032 Ų320%017%0.166CC..THydrogen-bonded Turntrans60.420.3179.700000117.3R499 F677 P679R499-G681 PolarHBondContact NE-O 3.47Å; F677-G681 WeakPolarHBondContact O-CA 3.41Å; F677-G681 PolarHBondContact O-N 2.89Å; P679-G681 PolarHBondContact O-N 2.7Å
682H87.7Confident86.2Confident12 Ų1235.4 Ų35.46%0.05619%0.188CC..EExtended strand (participates in β ladder)trans-80.4135.1179.4-75.5116.1000111.9E480 F677 C680 L698 C699E480-H682 IonicContact OE2-CD2 3.58Å; E480-H682 PolarHBondContact OE2-CD2 2.98Å; E480-H682 IonicContact OE2-CE1 2.84Å; E480-H682 IonicContact OE2-NE2 3.5Å; E480-H682 PolarHBondContact OE2-NE2 3.28Å; F677-H682 PolarHBondContact N-O 3.12Å; F677-H682 VanDerWaalsContact N-O 3.11Å; C680-H682 VanDerWaalsContact C-N 3.28Å; C680-H682 PolarHBondContact O-N 2.86Å; C680-H682 PolarHBondContact SG-ND1 3.46Å; C680-H682 VanDerWaalsContact SG-ND1 3.45Å; H682-L698 HydrophobicContact CB-CD1 4.15Å; H682-C699 PolarHBondContact ND1-SG 3.45Å
683V88.6Confident86.5Confident3 Ų334 Ų342%0.01818%0.183CC..EExtended strand (participates in β ladder)trans-105.387.9172.5-175.80000109.5T477 C673 I676 L709T477-V683 WeakPolarHBondContact CG2-O 3.29Å; T477-V683 PolarHBondContact OG1-N 2.93Å; C673-V683 HydrophobicContact CB-CG1 3.74Å; I676-V683 HydrophobicContact CB-CG2 4.39Å; I676-V683 HydrophobicContact CG1-CG2 3.6Å; V683-L709 HydrophobicContact CG1-CD1 3.73Å
684C86.7Confident86.8Confident6 Ų639.9 Ų39.94%0.04121%0.213CC..EExtended strand (participates in β ladder)trans-132.8-6.3-171.863.60000115C666 F677 L698C666-C684 PolarHBondContact N-O 2.78Å; C666-C684 PolarHBondContact SG-O 3.39Å; F677-C684 VanDerWaalsContact CE2-SG 3.56Å; C684-L698 HydrophobicContact CB-CD1 3.62Å; C684-L698 HydrophobicContact CB-CG 3.87Å
685C86.2Confident87.2Confident0 Ų042.6 Ų42.60%023%0.225CC..EExtended strand (participates in β ladder)trans-126.9146.7-176.7-69.80000111.9C673 S674 T675 F677C673-C685 WeakPolarHBondContact CA-O 3.47Å; S674-C685 PolarHBondContact N-O 3.48Å; T675-C685 PolarHBondContact N-O 3.35Å; F677-C685 HydrophobicContact CE2-CB 4.02Å; F677-C685 HydrophobicContact CZ-CB 3.67Å
686C86.7Confident87.4Confident9 Ų942.6 Ų42.66%0.06123%0.226CC..  trans-75.8163.3164.775.20000110C665 A671 I672 K688 C689 S690C665-C686 HydrophobicContact CB-CB 4.01Å; C665-C686 PolarHBondContact SG-N 3.07Å; C665-C686 VanDerWaalsContact SG-N 3.39Å; A671-C686 HydrophobicContact CB-CB 3.59Å; I672-C686 WeakPolarHBondContact O-CA 3.42Å; I672-C686 VanDerWaalsContact O-CB 3.24Å; I672-C686 WeakPolarHBondContact O-CB 3.31Å; C686-K688 VanDerWaalsContact C-N 3.28Å; C686-K688 PolarHBondContact O-N 3.48Å; C686-C689 PolarHBondContact O-N 2.93Å; C686-C689 PolarHBondContact SG-N 2.97Å; C686-S690 WeakPolarHBondContact O-CB 3.47Å; C686-S690 PolarHBondContact O-N 3.29Å; C686-S690 PolarHBondContact O-OG 3.48Å
687K84.3Confident87.5Confident114 Ų11445.1 Ų45.150%0.49624%0.242SC..Hα-helixtrans-50.2-42180-176172.1-179.7175.50114.3S674 S690S674-K687 PolarHBondContact OG-N 2.98Å; K687-S690 PolarHBondContact O-OG 2.94Å
688K85.9Confident87.3Confident144 Ų14447.4 Ų47.463%0.62625%0.254SS*.Hα-helixtrans-71.7-46.4-178.3-65-177.9-175.6172.70112.1C686 S690 E691C686-K688 VanDerWaalsContact C-N 3.28Å; C686-K688 PolarHBondContact O-N 3.48Å; K688-S690 VanDerWaalsContact C-N 3.29Å; K688-S690 PolarHBondContact O-N 3.42Å; K688-E691 PolarHBondContact O-N 2.94Å
689C87.2Confident87.3Confident17 Ų1748.6 Ų48.612%0.11526%0.264CS..Hα-helixtrans-67.7-34.6-178.9-68.70000111.1V667 C686 E691 S692 V693V667-C689 HydrophobicContact CB-CB 3.81Å; V667-C689 HydrophobicContact CG1-CB 4.02Å; V667-C689 HydrophobicContact CG2-CB 4.24Å; C686-C689 PolarHBondContact O-N 2.93Å; C686-C689 PolarHBondContact SG-N 2.97Å; C689-E691 PolarHBondContact O-N 3.38Å; C689-S692 PolarHBondContact O-N 2.89Å; C689-S692 PolarHBondContact O-OG 3.37Å; C689-V693 WeakPolarHBondContact O-CG2 3.2Å
690S87.6Confident87.4Confident1 Ų155.1 Ų55.11%0.00728%0.279CS..Hα-helixtrans-63.2-23.4-178.365.70000114.1T675 C686 K687 K688 S692 R706T675-S690 PolarHBondContact OG1-OG 2.94Å; C686-S690 WeakPolarHBondContact O-CB 3.47Å; C686-S690 PolarHBondContact O-N 3.29Å; C686-S690 PolarHBondContact O-OG 3.48Å; K687-S690 PolarHBondContact O-OG 2.94Å; K688-S690 VanDerWaalsContact C-N 3.29Å; K688-S690 PolarHBondContact O-N 3.42Å; S690-S692 VanDerWaalsContact C-N 3.34Å; S690-R706 PolarHBondContact O-NE 3.13Å
691E89.1Confident87.4Confident141 Ų14156.6 Ų56.666%0.65929%0.289SS*.Hα-helixtrans-69.7-29.7173.7-67.9172-171.500112.7K688 C689K688-E691 PolarHBondContact O-N 2.94Å; C689-E691 PolarHBondContact O-N 3.38Å
692S87.8Confident87.7Confident90 Ų9060.9 Ų60.963%0.62931%0.312SS*.Hα-helixtrans-88.9-15.2-175.766.70000114.6C689 S690C689-S692 PolarHBondContact O-N 2.89Å; C689-S692 PolarHBondContact O-OG 3.37Å; S690-S692 VanDerWaalsContact C-N 3.34Å
693V88.8Confident87.8Confident30 Ų3060.9 Ų60.918%0.18231%0.312CS..  trans-99.3132.3-175.9-140.90000110.9V667 C689 D695 P697 I703 R706V667-V693 HydrophobicContact CG2-CG2 4.31Å; C689-V693 WeakPolarHBondContact O-CG2 3.2Å; V693-D695 WeakPolarHBondContact CG1-O 3.49Å; V693-P697 HydrophobicContact CG1-CG 4.13Å; V693-I703 HydrophobicContact CB-CD1 4.43Å; V693-R706 PolarHBondContact O-NH2 3.31Å
694L90.1Very high87.7Confident129 Ų12966.9 Ų66.968%0.67534%0.34SS*.SBendtrans-95.4-33.7176.7-64.8174000112.7I703L694-I703 WeakPolarHBondContact O-CB 3.41Å; L694-I703 WeakPolarHBondContact O-CG1 3.38Å; L694-I703 PolarHBondContact O-N 3.46Å
695D92.1Very high87.7Confident77 Ų7771.6 Ų71.641%0.41237%0.365SS..BIsolated β-bridgetrans-117.2146.5177.8-57.7-40.4000110V693 P697 S701 N702V693-D695 WeakPolarHBondContact CG1-O 3.49Å; D695-P697 WeakPolarHBondContact O-CD 3.2Å; D695-S701 WeakPolarHBondContact CA-O 3.47Å; D695-N702 WeakPolarHBondContact OD1-CA 3.22Å; D695-N702 PolarHBondContact OD1-ND2 3Å; D695-N702 VanDerWaalsContact OD1-ND2 3.1Å
696C88.6Confident87.8Confident1 Ų176.1 Ų76.11%0.00738%0.382CS..  trans-61124.9179.71740000110.6F677 L698 C699 R700 S701F677-C696 HydrophobicContact CD2-CB 4.29Å; C696-L698 PolarHBondContact O-N 3.37Å; C696-L698 VanDerWaalsContact O-N 3.11Å; C696-L698 PolarHBondContact SG-N 3.02Å; C696-L698 VanDerWaalsContact SG-N 3.43Å; C696-C699 VanDerWaalsContact CB-SG 3.51Å; C696-R700 WeakPolarHBondContact O-CA 3.34Å; C696-R700 PolarHBondContact O-N 2.86Å; C696-S701 PolarHBondContact N-O 3.34Å
697P87.5Confident87.6Confident53 Ų5377 Ų7734%0.34439%0.385SS..THydrogen-bonded Turntrans-59.1-25.5178.9-27.535.3000114.8C666 V667 V693 D695C666-P697 VanDerWaalsContact SG-CB 3.56Å; V667-P697 HydrophobicContact CG2-CG 4.38Å; V693-P697 HydrophobicContact CG1-CG 4.13Å; D695-P697 WeakPolarHBondContact O-CD 3.2Å
698L84.9Confident87.6Confident48 Ų4874.5 Ų74.525%0.25138%0.376SS..THydrogen-bonded Turntrans-86.3-50.3-177.5-65.1-178000112.8T477 H682 C684 C696T477-L698 HydrophobicContact CG2-CD1 3.66Å; H682-L698 HydrophobicContact CB-CD1 4.15Å; C684-L698 HydrophobicContact CB-CD1 3.62Å; C684-L698 HydrophobicContact CB-CG 3.87Å; C696-L698 PolarHBondContact O-N 3.37Å; C696-L698 VanDerWaalsContact O-N 3.11Å; C696-L698 PolarHBondContact SG-N 3.02Å; C696-L698 VanDerWaalsContact SG-N 3.43Å
699C86.1Confident87Confident50 Ų5068.4 Ų68.434%0.33835%0.35SS..THydrogen-bonded Turntrans-109.8-7.8-174.963.70000114.7C680 H682 C696 S701C680-C699 WeakPolarHBondContact CB-SG 3.42Å; C680-C699 VanDerWaalsContact SG-SG 3.64Å; H682-C699 PolarHBondContact ND1-SG 3.45Å; C696-C699 VanDerWaalsContact CB-SG 3.51Å; C699-S701 PolarHBondContact O-N 3.18Å; C699-S701 VanDerWaalsContact O-N 3.16Å; C699-S701 PolarHBondContact SG-OG 3.06Å; C699-S701 VanDerWaalsContact SG-OG 3.38Å
700R87.8Confident85.9Confident214 Ų21472.1 Ų72.181%0.80837%0.365SS*.  trans60.414-175.9-53.1-177.8-179.8-178.6-0.9115.1C696C696-R700 WeakPolarHBondContact O-CA 3.34Å; C696-R700 PolarHBondContact O-N 2.86Å
701S87.8Confident84.3Confident49 Ų4980.9 Ų80.934%0.34340%0.404SS..  trans-66.9143.3170-60.50000110.5D695 C696 C699D695-S701 WeakPolarHBondContact CA-O 3.47Å; C696-S701 PolarHBondContact N-O 3.34Å; C699-S701 PolarHBondContact O-N 3.18Å; C699-S701 VanDerWaalsContact O-N 3.16Å; C699-S701 PolarHBondContact SG-OG 3.06Å; C699-S701 VanDerWaalsContact SG-OG 3.38Å
702N91.2Very high84Confident90 Ų9077.9 Ų77.948%0.48139%0.391SS..BIsolated β-bridgetrans-64.7135.1177.6-168.6-101.2000111.1P679 D695 H704P679-N702 WeakPolarHBondContact CD-O 3.36Å; D695-N702 WeakPolarHBondContact OD1-CA 3.22Å; D695-N702 PolarHBondContact OD1-ND2 3Å; D695-N702 VanDerWaalsContact OD1-ND2 3.1Å; N702-H704 PolarHBondContact O-CD2 3.21Å; N702-H704 PolarHBondContact O-N 3.03Å
703I89.3Confident83.8Confident12 Ų1277.3 Ų77.36%0.06238%0.378CS..  trans-89.2109.7-177.8-58.1165.6000109.1F677 V693 L694 R706F677-I703 HydrophobicContact CB-CG1 4.24Å; F677-I703 HydrophobicContact CB-CG2 4.38Å; F677-I703 HydrophobicContact CD1-CD1 3.74Å; F677-I703 HydrophobicContact CD1-CG1 4.11Å; F677-I703 HydrophobicContact CD1-CG2 3.77Å; F677-I703 HydrophobicContact CD2-CD1 4Å; F677-I703 HydrophobicContact CD2-CG1 4.45Å; F677-I703 HydrophobicContact CE1-CD1 3.72Å; F677-I703 HydrophobicContact CE1-CG2 4.39Å; F677-I703 HydrophobicContact CE2-CD1 3.99Å; F677-I703 HydrophobicContact CG-CD1 3.88Å; F677-I703 HydrophobicContact CG-CG1 4.04Å; F677-I703 HydrophobicContact CG-CG2 4.33Å; F677-I703 HydrophobicContact CZ-CD1 3.85Å; V693-I703 HydrophobicContact CB-CD1 4.43Å; L694-I703 WeakPolarHBondContact O-CB 3.41Å; L694-I703 WeakPolarHBondContact O-CG1 3.38Å; L694-I703 PolarHBondContact O-N 3.46Å; I703-R706 HydrophobicContact CG2-CG 3.87Å
704H87Confident83.6Confident129 Ų12979.9 Ų79.960%0.59739%0.389SS*.  trans-84.6-51.1177-70.6-143.8000110.5L678 N702L678-H704 PolarHBondContact O-N 3.14Å; N702-H704 PolarHBondContact O-CD2 3.21Å; N702-H704 PolarHBondContact O-N 3.03Å
705N86.2Confident83.2Confident106 Ų10677 Ų7757%0.56737%0.372SS*.EExtended strand (participates in β ladder)trans-132.2156.7-176.7-79.1-14.4000111.1L678L678-N705 HydrophobicContact CB-CB 4.02Å; L678-N705 HydrophobicContact CD1-CB 3.99Å; L678-N705 HydrophobicContact CG-CB 4.45Å; L678-N705 PolarHBondContact N-O 3.24Å; L678-N705 PolarHBondContact O-N 3.39Å
706R88.3Confident82.6Confident95 Ų9577 Ų7736%0.35837%0.37SS..EExtended strand (participates in β ladder)trans-128.7121.4-180-62.1175.3-177.873.22.2108.8T675 I676 F677 S690 V693 I703T675-R706 HydrophobicContact CG2-CB 3.91Å; T675-R706 HydrophobicContact CG2-CG 4.38Å; I676-R706 WeakPolarHBondContact O-CA 3.45Å; F677-R706 HydrophobicContact CD1-CG 4.11Å; F677-R706 HydrophobicContact CE1-CG 4.22Å; S690-R706 PolarHBondContact O-NE 3.13Å; V693-R706 PolarHBondContact O-NH2 3.31Å; I703-R706 HydrophobicContact CG2-CG 3.87Å
707I82.5Confident82.2Confident26 Ų2682.1 Ų82.113%0.13339%0.394CS..EExtended strand (participates in β ladder)trans-105.3130.2174.9-61.3163.5000107.8L506 L510 T675 I676 L678L506-I707 HydrophobicContact CD2-CD1 4.23Å; L510-I707 HydrophobicContact CD1-CD1 3.61Å; L510-I707 HydrophobicContact CD1-CG1 4.29Å; L510-I707 HydrophobicContact CD1-CG2 4.48Å; T675-I707 CarbonylContact C-O 3.6Å; T675-I707 WeakPolarHBondContact CA-O 3.32Å; I676-I707 HydrophobicContact CB-CB 4.26Å; I676-I707 HydrophobicContact CD1-CB 4.48Å; I676-I707 HydrophobicContact CD1-CG2 4.37Å; I676-I707 PolarHBondContact N-O 3.12Å; I676-I707 PolarHBondContact O-N 3.48Å; L678-I707 HydrophobicContact CD1-CD1 3.67Å; L678-I707 HydrophobicContact CD1-CG1 4.3Å; L678-I707 HydrophobicContact CD2-CD1 4.48Å; L678-I707 HydrophobicContact CG-CD1 4.12Å
708Q83.1Confident81.8Confident63 Ų6384.1 Ų84.129%0.29440%0.398SS..EExtended strand (participates in β ladder)trans-85.8131.2173-63.8-60.8-43.800108.9S674 T675S674-Q708 WeakPolarHBondContact O-CA 3.47Å; S674-Q708 PolarHBondContact O-OE1 3.22Å; S674-Q708 PolarHBondContact OG-OE1 3.48Å; T675-Q708 PolarHBondContact OG1-NE2 3.28Å; T675-Q708 PolarHBondContact OG1-OE1 2.95Å
709L74.5Confident81.6Confident15 Ų1586.9 Ų86.98%0.07941%0.409CS..  trans-65.7140.8175.8-67.2177.4000110.4E470 S674 I676 V683 F711E470-L709 HydrophobicContact CB-CD2 3.71Å; E470-L709 HydrophobicContact CG-CD2 3.63Å; S674-L709 PolarHBondContact O-N 2.74Å; I676-L709 HydrophobicContact CD1-CD2 3.44Å; I676-L709 VanDerWaalsContact CD1-CD2 3.44Å; I676-L709 HydrophobicContact CD1-CG 4.49Å; I676-L709 HydrophobicContact CG1-CD2 3.64Å; I676-L709 HydrophobicContact CG1-CG 4.28Å; V683-L709 HydrophobicContact CG1-CD1 3.73Å; L709-F711 HydrophobicContact CB-CE2 4.23Å; L709-F711 HydrophobicContact CB-CZ 4.37Å; L709-F711 HydrophobicContact CD1-CZ 4.29Å
710H62.7Low81.2Confident96 Ų9690 Ų9044%0.44442%0.415SS..  trans-92.4102.6173.9-64.275.6000107.9E470E470-H710 IonicContact OE1-ND1 3.03Å; E470-H710 PolarHBondContact OE2-N 3.05Å
711F54.4Low80.6Confident185 Ų18578.7 Ų78.781%0.81138%0.379SS*.  trans-83.50171.5-67.7-71.4000111.5I672 L709I672-F711 HydrophobicContact CG2-CZ 4.33Å; L709-F711 HydrophobicContact CB-CE2 4.23Å; L709-F711 HydrophobicContact CB-CZ 4.37Å; L709-F711 HydrophobicContact CD1-CZ 4.29Å

Retrieved 711 of 711 residues in 267.8 ms (Link to these results)

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