A0A077ZB19_TRITR Loading...

Dynein light intermediate chain

Acts as one of several non-catalytic accessory components of the cytoplasmic dynein 1 complex that are thought to be involved in linking dynein to cargos and to adapter proteins that regulate dynein function. Cytoplasmic dynein 1 acts as a motor for the intracellular retrograde motility of vesicles and organelles along microtubules. May play a role in binding dynein to membranous organelles or chromosomes.

AlphaFold DB , UniProt , Accession A0A077ZB19, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 446 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M43.9Very low70.4Confident245 Ų245120.2 Ų120.2100%1.20762%0.62SS**  091.20-74.4178153.700106.4
2V55.6Low70.9Confident121 Ų121119.3 Ų119.373%0.73362%0.616SS**  trans-72.6129.1170.8178.50000105.4D4V2-D4 PolarHBondContact O-N 3.15Å
3P62.1Low71.3Confident83 Ų83120.3 Ų120.354%0.53962%0.616SS.*  trans-64.2123.6-17324-30.5000109.9D5 D6P3-D5 PolarHBondContact O-N 3.26Å; P3-D6 HydrophobicContact CG-CB 4.48Å; P3-D6 PolarHBondContact O-N 3.45Å
4D67.4Low71.5Confident122 Ų122116.9 Ų116.965%0.65260%0.6SS**THydrogen-bonded Turntrans-57.3-21.3178.1-66.8-47.8000112.3V2 D6 L7 W8V2-D4 PolarHBondContact O-N 3.15Å; D4-D6 PolarHBondContact O-N 3.28Å; D4-L7 WeakPolarHBondContact O-CB 3.39Å; D4-L7 PolarHBondContact O-N 3.07Å; D4-L7 VanDerWaalsContact O-N 3.15Å; D4-W8 VanDerWaalsContact O-CD1 3.28Å; D4-W8 PolarHBondContact O-N 2.78Å
5D68.7Low71.3Confident135 Ų135113.8 Ų113.872%0.72259%0.588SS**Hα-helixtrans-59.8-29.4173.8-67.1-32.7000112.9P3 S9P3-D5 PolarHBondContact O-N 3.26Å; D5-S9 PolarHBondContact O-N 3.07Å; D5-S9 PolarHBondContact O-OG 2.85Å
6D80.3Confident70.8Confident73 Ų73113.8 Ų113.839%0.3959%0.585SS.*Hα-helixtrans-82.1-17.8-179.8-149.147.2000112.6P3 D4 S9 K10P3-D6 HydrophobicContact CG-CB 4.48Å; P3-D6 PolarHBondContact O-N 3.45Å; D4-D6 PolarHBondContact O-N 3.28Å; D6-S9 VanDerWaalsContact CA-OG 3.3Å; D6-S9 WeakPolarHBondContact CA-OG 3.43Å; D6-S9 PolarHBondContact O-OG 3.38Å; D6-K10 WeakPolarHBondContact O-CB 3.27Å; D6-K10 WeakPolarHBondContact O-CD 3.28Å; D6-K10 VanDerWaalsContact O-CG 3.25Å; D6-K10 WeakPolarHBondContact O-CG 3.18Å; D6-K10 PolarHBondContact O-N 3.45Å; D6-K10 IonicContact OD2-NZ 3.22Å; D6-K10 PolarHBondContact OD2-NZ 3.4Å
7L81Confident70.2Confident106 Ų106114.9 Ų114.956%0.55558%0.581SS**Hα-helixtrans-75.8-46.1173.1-170.184.2000110D4 K10 L11D4-L7 WeakPolarHBondContact O-CB 3.39Å; D4-L7 PolarHBondContact O-N 3.07Å; D4-L7 VanDerWaalsContact O-N 3.15Å; L7-K10 PolarHBondContact O-N 3.27Å; L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 PolarHBondContact O-N 2.88Å
8W78.6Confident69.3Low163 Ų163116.8 Ų116.862%0.61758%0.58SS**Hα-helixtrans-66.9-38.1178.9-71.3108000112.4D4 L11 L12D4-W8 VanDerWaalsContact O-CD1 3.28Å; D4-W8 PolarHBondContact O-N 2.78Å; W8-L11 PolarHBondContact O-N 3.4Å; W8-L12 VanDerWaalsContact O-CB 3.27Å; W8-L12 WeakPolarHBondContact O-CB 3.27Å; W8-L12 VanDerWaalsContact O-CG 3.28Å; W8-L12 WeakPolarHBondContact O-CG 3.3Å; W8-L12 PolarHBondContact O-N 2.81Å
9S80.7Confident68.2Low52 Ų52114.2 Ų114.236%0.36457%0.574SS.*Hα-helixtrans-62.9-42.8173.762.70000111.3D5 D6 L12 H13D5-S9 PolarHBondContact O-N 3.07Å; D5-S9 PolarHBondContact O-OG 2.85Å; D6-S9 VanDerWaalsContact CA-OG 3.3Å; D6-S9 WeakPolarHBondContact CA-OG 3.43Å; D6-S9 PolarHBondContact O-OG 3.38Å; S9-L12 PolarHBondContact O-N 3.22Å; S9-H13 WeakPolarHBondContact O-CB 3.43Å; S9-H13 PolarHBondContact O-N 2.68Å
10K78.6Confident67.3Low134 Ų134116.8 Ų116.858%0.58359%0.586SS**Hα-helixtrans-64.8-42174.4-76.2172.6-170.9163.80112.8D6 L7 H13 D14D6-K10 WeakPolarHBondContact O-CB 3.27Å; D6-K10 WeakPolarHBondContact O-CD 3.28Å; D6-K10 VanDerWaalsContact O-CG 3.25Å; D6-K10 WeakPolarHBondContact O-CG 3.18Å; D6-K10 PolarHBondContact O-N 3.45Å; D6-K10 IonicContact OD2-NZ 3.22Å; D6-K10 PolarHBondContact OD2-NZ 3.4Å; L7-K10 PolarHBondContact O-N 3.27Å; K10-H13 PolarHBondContact O-N 2.84Å; K10-D14 WeakPolarHBondContact O-CB 3.25Å; K10-D14 PolarHBondContact O-N 3.03Å
11L77.8Confident66.3Low88 Ų88115.2 Ų115.246%0.46158%0.58SS.*Hα-helixtrans-66.9-40.1177.6-126.1150.4000111.2L7 W8 D14 V15L7-L11 WeakPolarHBondContact O-CB 3.24Å; L7-L11 PolarHBondContact O-N 2.88Å; W8-L11 PolarHBondContact O-N 3.4Å; L11-D14 PolarHBondContact O-N 3.32Å; L11-V15 HydrophobicContact CD2-CG2 4.35Å; L11-V15 WeakPolarHBondContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.34Å; L11-V15 PolarHBondContact O-N 3.33Å
12L76.3Confident66.3Low109 Ų109106.2 Ų106.257%0.57154%0.537SS*.Hα-helixtrans-67.7-38.6173.5-76.4168.4000111.9W8 S9 D14 V15 Q16W8-L12 VanDerWaalsContact O-CB 3.27Å; W8-L12 WeakPolarHBondContact O-CB 3.27Å; W8-L12 VanDerWaalsContact O-CG 3.28Å; W8-L12 WeakPolarHBondContact O-CG 3.3Å; W8-L12 PolarHBondContact O-N 2.81Å; S9-L12 PolarHBondContact O-N 3.22Å; L12-D14 VanDerWaalsContact C-N 3.34Å; L12-V15 PolarHBondContact O-N 2.99Å; L12-Q16 VanDerWaalsContact O-CB 3.24Å; L12-Q16 WeakPolarHBondContact O-CB 3.33Å; L12-Q16 VanDerWaalsContact O-CG 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.38Å; L12-Q16 PolarHBondContact O-N 2.92Å
13H76Confident66.2Low133 Ų133101.8 Ų101.862%0.61651%0.508SS*.Hα-helixtrans-66.7-37.9174.4-136.865.2000111.1S9 K10 Q16 Y17S9-H13 WeakPolarHBondContact O-CB 3.43Å; S9-H13 PolarHBondContact O-N 2.68Å; K10-H13 PolarHBondContact O-N 2.84Å; H13-Q16 PolarHBondContact O-N 3.44Å; H13-Y17 WeakPolarHBondContact O-CA 3.45Å; H13-Y17 WeakPolarHBondContact O-CB 3.3Å; H13-Y17 PolarHBondContact O-N 2.88Å
14D74.2Confident65.8Low72 Ų72100.3 Ų100.339%0.38550%0.499SS..Hα-helixtrans-68.7-40.7175.7-156.350.7000111.2K10 L11 L12 Y17 R18K10-D14 WeakPolarHBondContact O-CB 3.25Å; K10-D14 PolarHBondContact O-N 3.03Å; L11-D14 PolarHBondContact O-N 3.32Å; L12-D14 VanDerWaalsContact C-N 3.34Å; D14-Y17 PolarHBondContact O-N 3.33Å; D14-R18 WeakPolarHBondContact O-CB 3.22Å; D14-R18 VanDerWaalsContact O-CG 3.22Å; D14-R18 WeakPolarHBondContact O-CG 3.37Å; D14-R18 PolarHBondContact O-N 2.83Å; D14-R18 IonicContact OD2-CZ 3.5Å; D14-R18 IonicContact OD2-NE 3.17Å; D14-R18 PolarHBondContact OD2-NE 3.06Å; D14-R18 IonicContact OD2-NH2 2.96Å; D14-R18 PolarHBondContact OD2-NH2 2.76Å
15V68.6Low65.6Low71 Ų7199.9 Ų99.943%0.4350%0.497SS..Hα-helixtrans-67.8-39174.4172.10000111.3L11 L12 S19L11-V15 HydrophobicContact CD2-CG2 4.35Å; L11-V15 WeakPolarHBondContact O-CB 3.31Å; L11-V15 WeakPolarHBondContact O-CG2 3.34Å; L11-V15 PolarHBondContact O-N 3.33Å; L12-V15 PolarHBondContact O-N 2.99Å; V15-S19 VanDerWaalsContact O-CB 3.24Å; V15-S19 WeakPolarHBondContact O-CB 3.24Å; V15-S19 PolarHBondContact O-N 3.12Å; V15-S19 PolarHBondContact O-OG 3.42Å
16Q63.8Low65.9Low114 Ų11493.5 Ų93.553%0.53346%0.463SS..Hα-helixtrans-68.1-38.9173-79.6-176.8-35.100111.8L12 H13 S19 M20L12-Q16 VanDerWaalsContact O-CB 3.24Å; L12-Q16 WeakPolarHBondContact O-CB 3.33Å; L12-Q16 VanDerWaalsContact O-CG 3.27Å; L12-Q16 WeakPolarHBondContact O-CG 3.38Å; L12-Q16 PolarHBondContact O-N 2.92Å; H13-Q16 PolarHBondContact O-N 3.44Å; Q16-S19 CarbonylContact O-C 3.6Å; Q16-S19 PolarHBondContact O-N 2.89Å; Q16-M20 WeakPolarHBondContact O-CB 3.43Å; Q16-M20 PolarHBondContact O-N 3.28Å
17Y60.8Low66Low133 Ų13390.2 Ų90.252%0.52245%0.446SS..Hα-helixtrans-66.7-41.6176.8-171.2-101.1000110.6H13 D14 M20 N21H13-Y17 WeakPolarHBondContact O-CA 3.45Å; H13-Y17 WeakPolarHBondContact O-CB 3.3Å; H13-Y17 PolarHBondContact O-N 2.88Å; D14-Y17 PolarHBondContact O-N 3.33Å; Y17-M20 PolarHBondContact O-N 3.27Å; Y17-N21 WeakPolarHBondContact CE1-ND2 3.36Å; Y17-N21 VanDerWaalsContact O-CB 3.26Å; Y17-N21 WeakPolarHBondContact O-CB 3.23Å; Y17-N21 PolarHBondContact O-N 3.18Å; Y17-N21 PolarHBondContact OH-ND2 2.7Å
18R53.7Low66.4Low149 Ų14985.4 Ų85.456%0.56242%0.42SS*.Hα-helixtrans-62-45.9169.3-71.7176.4-162.2-143.45.2111.6D14 M20 N21 N22D14-R18 WeakPolarHBondContact O-CB 3.22Å; D14-R18 VanDerWaalsContact O-CG 3.22Å; D14-R18 WeakPolarHBondContact O-CG 3.37Å; D14-R18 PolarHBondContact O-N 2.83Å; D14-R18 IonicContact OD2-CZ 3.5Å; D14-R18 IonicContact OD2-NE 3.17Å; D14-R18 PolarHBondContact OD2-NE 3.06Å; D14-R18 IonicContact OD2-NH2 2.96Å; D14-R18 PolarHBondContact OD2-NH2 2.76Å; R18-M20 VanDerWaalsContact C-N 3.3Å; R18-M20 PolarHBondContact O-N 2.95Å; R18-N21 CarbonylContact O-C 3.56Å; R18-N21 VanDerWaalsContact O-C 3.24Å; R18-N21 PolarHBondContact O-N 3.1Å; R18-N22 VanDerWaalsContact O-CA 3.23Å; R18-N22 WeakPolarHBondContact O-CA 3.28Å; R18-N22 PolarHBondContact O-N 3.42Å; R18-N22 PolarHBondContact O-OD1 3.11Å
19S48.3Very low66.8Low67 Ų6777.6 Ų77.647%0.46939%0.391SS..Hα-helixtrans-63.4-31.7177.6-58.90000113.4V15 Q16 N22V15-S19 VanDerWaalsContact O-CB 3.24Å; V15-S19 WeakPolarHBondContact O-CB 3.24Å; V15-S19 PolarHBondContact O-N 3.12Å; V15-S19 PolarHBondContact O-OG 3.42Å; Q16-S19 CarbonylContact O-C 3.6Å; Q16-S19 PolarHBondContact O-N 2.89Å; S19-N22 VanDerWaalsContact CA-OD1 3.28Å; S19-N22 WeakPolarHBondContact CA-OD1 3.35Å; S19-N22 WeakPolarHBondContact O-CB 3.49Å; S19-N22 VanDerWaalsContact O-CG 3.32Å; S19-N22 PolarHBondContact O-ND2 3.34Å
20M49Very low67.2Low165 Ų16575.3 Ų75.381%0.81338%0.375SS*.Hα-helixtrans-84-29.2175.6-84.8174.260.400112.5Q16 Y17 R18 N22Q16-M20 WeakPolarHBondContact O-CB 3.43Å; Q16-M20 PolarHBondContact O-N 3.28Å; Y17-M20 PolarHBondContact O-N 3.27Å; R18-M20 VanDerWaalsContact C-N 3.3Å; R18-M20 PolarHBondContact O-N 2.95Å; M20-N22 VanDerWaalsContact C-N 3.29Å
21N47.2Very low67.6Low84 Ų8468.9 Ų68.945%0.44935%0.347SS..THydrogen-bonded Turntrans-93.828.2171.9-76.4-8.5000112.3Y17 R18 L23Y17-N21 WeakPolarHBondContact CE1-ND2 3.36Å; Y17-N21 VanDerWaalsContact O-CB 3.26Å; Y17-N21 WeakPolarHBondContact O-CB 3.23Å; Y17-N21 PolarHBondContact O-N 3.18Å; Y17-N21 PolarHBondContact OH-ND2 2.7Å; R18-N21 CarbonylContact O-C 3.56Å; R18-N21 VanDerWaalsContact O-C 3.24Å; R18-N21 PolarHBondContact O-N 3.1Å; N21-L23 CarbonylContact O-C 3.54Å; N21-L23 WeakPolarHBondContact O-CA 3.41Å; N21-L23 PolarHBondContact O-N 3.48Å
22N44.1Very low68Low57 Ų5764.7 Ų64.731%0.30533%0.325SS..SBendtrans-59.7-13.1-160-114.43.7000116.2R18 S19 M20R18-N22 VanDerWaalsContact O-CA 3.23Å; R18-N22 WeakPolarHBondContact O-CA 3.28Å; R18-N22 PolarHBondContact O-N 3.42Å; R18-N22 PolarHBondContact O-OD1 3.11Å; S19-N22 VanDerWaalsContact CA-OD1 3.28Å; S19-N22 WeakPolarHBondContact CA-OD1 3.35Å; S19-N22 WeakPolarHBondContact O-CB 3.49Å; S19-N22 VanDerWaalsContact O-CG 3.32Å; S19-N22 PolarHBondContact O-ND2 3.34Å; M20-N22 VanDerWaalsContact C-N 3.29Å
23L52.5Low68.3Low27 Ų2761.7 Ų61.714%0.14131%0.309CS..SBendtrans-148.6148.4151.2-72.999.9000108.1N21 N25 L81 V84 L90N21-L23 CarbonylContact O-C 3.54Å; N21-L23 WeakPolarHBondContact O-CA 3.41Å; N21-L23 PolarHBondContact O-N 3.48Å; L23-N25 PolarHBondContact O-N 3.5Å; L23-L81 HydrophobicContact CD2-CD1 4.24Å; L23-L81 HydrophobicContact CD2-CD2 4.05Å; L23-V84 HydrophobicContact CD1-CG2 3.86Å; L23-V84 HydrophobicContact CD2-CG2 3.38Å; L23-V84 HydrophobicContact CG-CG2 4.03Å; L23-L90 HydrophobicContact CB-CD2 3.46Å; L23-L90 VanDerWaalsContact CB-CD2 3.46Å; L23-L90 HydrophobicContact CD1-CD2 3.9Å; L23-L90 HydrophobicContact CD1-CG 4.44Å; L23-L90 HydrophobicContact CD2-CD1 3.93Å; L23-L90 HydrophobicContact CD2-CD2 3.12Å; L23-L90 HydrophobicContact CD2-CG 3.67Å; L23-L90 HydrophobicContact CG-CD2 3.58Å; L23-L90 HydrophobicContact CG-CG 4.43Å
24P54.2Low68.4Low52 Ų5258.3 Ų58.334%0.33830%0.296SS..  trans-56.4120.3171.721.7-30.2000108.8G26 H118 Y283P24-G26 VanDerWaalsContact C-N 3.33Å; P24-G26 PolarHBondContact O-N 2.96Å; P24-H118 HydrophobicContact CB-CB 4.18Å; P24-H118 WeakPolarHBondContact CB-CD2 3.48Å; P24-H118 WeakPolarHBondContact CB-NE2 3.13Å; P24-Y283 HydrophobicContact CG-CE1 4.34Å
25N64.4Low68.6Low114 Ų11460.7 Ų60.761%0.6131%0.309SS*.  trans-63.699.5173.3-70.1-40.6000107.2L23L23-N25 PolarHBondContact O-N 3.5Å
26G73.3Confident69Low1 Ų157.4 Ų57.41%0.0129%0.289CS..EExtended strand (participates in β ladder)trans-65.4137.3175.800000109.6P24 L92 G93 H118P24-G26 VanDerWaalsContact C-N 3.33Å; P24-G26 PolarHBondContact O-N 2.96Å; G26-L92 VanDerWaalsContact C-CD1 3.42Å; G26-L92 VanDerWaalsContact O-CD1 3.27Å; G26-L92 WeakPolarHBondContact O-CD1 3.31Å; G26-G93 PolarHBondContact O-N 3.42Å; G26-H118 VanDerWaalsContact CA-O 3.3Å; G26-H118 WeakPolarHBondContact CA-O 3.35Å
27S83.9Confident69.8Low4 Ų453.1 Ų53.13%0.02828%0.275CS..EExtended strand (participates in β ladder)trans-114119.4177.7-170.10000109.3G93 W95 A110 H118 S119 V120S27-G93 CarbonylContact C-O 3.47Å; S27-G93 WeakPolarHBondContact CA-O 3.35Å; S27-W95 PolarHBondContact OG-NE1 2.95Å; S27-W95 VanDerWaalsContact OG-NE1 3.17Å; S27-A110 PolarHBondContact OG-O 3.09Å; S27-H118 PolarHBondContact N-O 2.96Å; S27-H118 VanDerWaalsContact N-O 3.08Å; S27-S119 CarbonylContact O-C 3.58Å; S27-S119 WeakPolarHBondContact O-CA 3.41Å; S27-V120 PolarHBondContact O-N 3.42Å
28V87.6Confident70.8Confident4 Ų447 Ų472%0.02425%0.251CS..EExtended strand (participates in β ladder)trans-105119.1172.9-178.10000108.6V30 L92 G93 V94 W95 V120 V122 I278 I282V28-V30 HydrophobicContact CG1-CG2 3.97Å; V28-L92 HydrophobicContact CG2-CD1 3.94Å; V28-L92 HydrophobicContact CG2-CD2 3.57Å; V28-L92 HydrophobicContact CG2-CG 3.82Å; V28-G93 PolarHBondContact N-O 3.17Å; V28-V94 HydrophobicContact CB-CB 4.49Å; V28-V94 HydrophobicContact CB-CG1 4.25Å; V28-V94 HydrophobicContact CB-CG2 4.18Å; V28-V94 HydrophobicContact CG1-CG1 4.35Å; V28-V94 CarbonylContact O-C 3.56Å; V28-V94 WeakPolarHBondContact O-CA 3.48Å; V28-W95 PolarHBondContact O-N 2.85Å; V28-V120 CarbonylContact C-O 3.52Å; V28-V120 WeakPolarHBondContact CA-O 3.47Å; V28-V122 HydrophobicContact CG1-CG2 3.8Å; V28-I278 HydrophobicContact CG2-CG2 3.66Å; V28-I282 HydrophobicContact CG2-CD1 3.81Å
29L88.1Confident72.1Confident0 Ų041.2 Ų41.20%023%0.232CC..EExtended strand (participates in β ladder)trans-98.5109.8174.317964.4000109.4L31 W95 I107 A110 L111 V120 A121 V122 L144L29-L31 HydrophobicContact CD1-CD2 4.06Å; L29-L31 HydrophobicContact CD2-CD1 4.34Å; L29-L31 HydrophobicContact CD2-CD2 4.18Å; L29-L31 HydrophobicContact CD2-CG 4.3Å; L29-L31 HydrophobicContact CG-CD2 3.96Å; L29-L31 HydrophobicContact CG-CG 4.05Å; L29-W95 CarbonylContact C-O 3.56Å; L29-W95 HydrophobicContact CD1-CB 4.05Å; L29-I107 HydrophobicContact CD1-CG1 4.47Å; L29-I107 HydrophobicContact CD2-CG1 4.27Å; L29-I107 HydrophobicContact CD2-CG2 3.9Å; L29-A110 HydrophobicContact CD1-CB 4.27Å; L29-L111 HydrophobicContact CD2-CD1 4.26Å; L29-V120 PolarHBondContact N-O 2.9Å; L29-A121 HydrophobicContact CB-CB 4.43Å; L29-A121 CarbonylContact O-C 3.57Å; L29-A121 WeakPolarHBondContact O-CA 3.43Å; L29-V122 PolarHBondContact O-N 2.99Å; L29-L144 HydrophobicContact CD2-CD2 3.81Å
30V89Confident73.7Confident3 Ų340.2 Ų40.22%0.01823%0.225CC..EExtended strand (participates in β ladder)trans-96.7111.2176.5-175.50000109.7V28 K38 L42 V94 W95 V96 L97 V122V28-V30 HydrophobicContact CG1-CG2 3.97Å; V30-K38 HydrophobicContact CG1-CB 4.35Å; V30-K38 HydrophobicContact CG1-CD 4.36Å; V30-K38 HydrophobicContact CG1-CG 3.93Å; V30-L42 HydrophobicContact CG2-CD2 4.31Å; V30-V94 HydrophobicContact CG2-CG1 3.68Å; V30-W95 PolarHBondContact N-O 3.46Å; V30-V96 HydrophobicContact CB-CG2 4.21Å; V30-V96 WeakPolarHBondContact O-CA 3.29Å; V30-L97 PolarHBondContact O-N 3.23Å; V30-V122 CarbonylContact C-O 3.53Å; V30-V122 WeakPolarHBondContact CA-O 3.49Å; V30-V122 HydrophobicContact CG2-CB 4.29Å
31L87.9Confident75.3Confident0 Ų032.9 Ų32.90%019%0.189CC..EExtended strand (participates in β ladder)trans-105.3156.5176.2-59.4178.9000110.3L29 L97 I107 V122 C124 W140 L144L29-L31 HydrophobicContact CD1-CD2 4.06Å; L29-L31 HydrophobicContact CD2-CD1 4.34Å; L29-L31 HydrophobicContact CD2-CD2 4.18Å; L29-L31 HydrophobicContact CD2-CG 4.3Å; L29-L31 HydrophobicContact CG-CD2 3.96Å; L29-L31 HydrophobicContact CG-CG 4.05Å; L31-L97 HydrophobicContact CD2-CB 3.58Å; L31-L97 HydrophobicContact CD2-CD2 3.63Å; L31-L97 HydrophobicContact CD2-CG 4.28Å; L31-I107 HydrophobicContact CD2-CD1 4.37Å; L31-V122 PolarHBondContact N-O 2.56Å; L31-C124 WeakPolarHBondContact O-CB 3.16Å; L31-C124 PolarHBondContact O-N 3.46Å; L31-W140 HydrophobicContact CB-CD2 4.04Å; L31-W140 HydrophobicContact CB-CE3 3.93Å; L31-W140 HydrophobicContact CB-CG 4.32Å; L31-W140 HydrophobicContact CD1-CB 4.49Å; L31-W140 HydrophobicContact CD1-CE3 4.11Å; L31-W140 HydrophobicContact CD2-CE3 4.14Å; L31-W140 HydrophobicContact CD2-CZ3 4.19Å; L31-W140 HydrophobicContact CG-CE3 4.3Å; L31-L144 HydrophobicContact CD1-CD1 3.63Å; L31-L144 HydrophobicContact CD1-CD2 3.59Å; L31-L144 HydrophobicContact CD1-CG 3.45Å; L31-L144 VanDerWaalsContact CD1-CG 3.45Å
32G84.2Confident77Confident0 Ų029 Ų290%017%0.168CC..EExtended strand (participates in β ladder)trans163.7172.7170.800000112.5K38 C124 W140G32-K38 PolarHBondContact O-NZ 3.45Å; G32-C124 VanDerWaalsContact CA-O 3.22Å; G32-C124 WeakPolarHBondContact CA-O 3.35Å; G32-W140 VanDerWaalsContact C-CZ2 3.45Å; G32-W140 WeakPolarHBondContact O-CZ2 3.32Å
33D83.7Confident78.7Confident45 Ų4526.8 Ų26.824%0.24116%0.158CC..  trans-75.2166.8-177-157.35.6000112.8N35 C36 K38 N132 T136D33-N35 PolarHBondContact O-N 2.77Å; D33-C36 PolarHBondContact O-N 2.81Å; D33-C36 PolarHBondContact O-SG 3.21Å; D33-K38 WeakPolarHBondContact O-CE 3.4Å; D33-K38 PolarHBondContact O-NZ 3.35Å; D33-N132 PolarHBondContact OD2-ND2 3.4Å; D33-T136 HydrophobicContact CB-CG2 4.07Å
34N78.9Confident80Confident63 Ų6331.1 Ų31.134%0.33717%0.172SC..THydrogen-bonded Turntrans-59.5136.2173.2-66-19.9000109.3C36 D98 G99N34-C36 PolarHBondContact O-N 3.29Å; N34-D98 PolarHBondContact OD1-OD1 2.97Å; N34-D98 VanDerWaalsContact OD1-OD1 3.06Å; N34-G99 VanDerWaalsContact OD1-CA 3.28Å; N34-G99 WeakPolarHBondContact OD1-CA 3.18Å; N34-G99 PolarHBondContact OD1-N 2.93Å
35N77.1Confident81.2Confident122 Ų12230.2 Ų30.265%0.65217%0.165SC*.THydrogen-bonded Turntrans64.511.2-178.4-51.5-55.3000116.6D33 G37 K220D33-N35 PolarHBondContact O-N 2.77Å; N35-G37 PolarHBondContact O-N 3.04Å; N35-G37 VanDerWaalsContact O-N 3.09Å; N35-K220 VanDerWaalsContact O-CE 3.31Å; N35-K220 WeakPolarHBondContact O-CE 3.46Å; N35-K220 PolarHBondContact O-NZ 2.92Å
36C78Confident81.7Confident2 Ų227.3 Ų27.31%0.01415%0.148CC..SBendtrans-71.71.5174.669.10000113.8D33 N34 K38 T219D33-C36 PolarHBondContact O-N 2.81Å; D33-C36 PolarHBondContact O-SG 3.21Å; N34-C36 PolarHBondContact O-N 3.29Å; C36-K38 WeakPolarHBondContact SG-CE 3.46Å; C36-K38 WeakPolarHBondContact SG-CG 3.18Å; C36-T219 WeakPolarHBondContact O-CB 3.43Å; C36-T219 PolarHBondContact O-OG1 3.49Å
37G79.2Confident81.5Confident23 Ų2330.3 Ų30.324%0.23718%0.178CC..SBendtrans84.614.9175.100000114.8N35 T39 S40 L41N35-G37 PolarHBondContact O-N 3.04Å; N35-G37 VanDerWaalsContact O-N 3.09Å; G37-T39 PolarHBondContact O-N 2.81Å; G37-S40 CarbonylContact O-C 3.59Å; G37-S40 WeakPolarHBondContact O-CA 3.26Å; G37-S40 WeakPolarHBondContact O-CB 3.09Å; G37-S40 PolarHBondContact O-N 3.46Å; G37-L41 PolarHBondContact O-N 3.37Å
38K82.2Confident80.9Confident6 Ų634.5 Ų34.53%0.02620%0.199CC..Hα-helixtrans-46.1-53.8172.3-72.3165.3-60.9-179.60113.2V30 G32 D33 C36 S40 L41 L42 V96 L97 D98 C124V30-K38 HydrophobicContact CG1-CB 4.35Å; V30-K38 HydrophobicContact CG1-CD 4.36Å; V30-K38 HydrophobicContact CG1-CG 3.93Å; G32-K38 PolarHBondContact O-NZ 3.45Å; D33-K38 WeakPolarHBondContact O-CE 3.4Å; D33-K38 PolarHBondContact O-NZ 3.35Å; C36-K38 WeakPolarHBondContact SG-CE 3.46Å; C36-K38 WeakPolarHBondContact SG-CG 3.18Å; K38-S40 PolarHBondContact O-N 2.78Å; K38-L41 WeakPolarHBondContact O-CB 3.06Å; K38-L41 PolarHBondContact O-N 2.81Å; K38-L41 VanDerWaalsContact O-N 3.08Å; K38-L42 PolarHBondContact O-N 3.34Å; K38-V96 HydrophobicContact CB-CG1 3.94Å; K38-V96 HydrophobicContact CD-CG1 4.1Å; K38-V96 HydrophobicContact CG-CG1 4.47Å; K38-L97 PolarHBondContact NZ-O 3.14Å; K38-D98 IonicContact NZ-OD1 3.89Å; K38-D98 PolarHBondContact NZ-OD1 3.03Å; K38-C124 HydrophobicContact CD-CB 4.4Å; K38-C124 HydrophobicContact CG-CB 3.7Å
39T82Confident79.6Confident27 Ų2739.9 Ų39.917%0.16623%0.228CC..Hα-helixtrans-61.5-35.3178.7-39.80000111.6G37 A43 P51G37-T39 PolarHBondContact O-N 2.81Å; T39-A43 WeakPolarHBondContact O-CB 3.31Å; T39-A43 PolarHBondContact O-N 2.74Å; T39-P51 HydrophobicContact CG2-CB 3.69Å
40S82.2Confident78.1Confident45 Ų4546.1 Ų46.132%0.31526%0.262SS..Hα-helixtrans-70.8-35.9176.1-171.80000111.8G37 K38 R44G37-S40 CarbonylContact O-C 3.59Å; G37-S40 WeakPolarHBondContact O-CA 3.26Å; G37-S40 WeakPolarHBondContact O-CB 3.09Å; G37-S40 PolarHBondContact O-N 3.46Å; K38-S40 PolarHBondContact O-N 2.78Å; S40-R44 WeakPolarHBondContact O-CB 3.39Å; S40-R44 WeakPolarHBondContact O-CG 3.36Å; S40-R44 PolarHBondContact O-N 2.91Å; S40-R44 VanDerWaalsContact O-N 3.11Å
41L82Confident76.7Confident11 Ų1149.1 Ų49.16%0.05828%0.281CS..Hα-helixtrans-65.1-46.2175.5-175.8149.3000110.1G37 K38 R44 L45 V217 T219 T263 L274G37-L41 PolarHBondContact O-N 3.37Å; K38-L41 WeakPolarHBondContact O-CB 3.06Å; K38-L41 PolarHBondContact O-N 2.81Å; K38-L41 VanDerWaalsContact O-N 3.08Å; L41-R44 PolarHBondContact O-N 3.14Å; L41-L45 HydrophobicContact CD2-CD1 3.58Å; L41-L45 HydrophobicContact CD2-CG 4.09Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 2.99Å; L41-V217 HydrophobicContact CD1-CG1 3.69Å; L41-T219 HydrophobicContact CD1-CG2 4.09Å; L41-T263 HydrophobicContact CD1-CG2 3.79Å; L41-L274 HydrophobicContact CD1-CD2 4.22Å; L41-L274 HydrophobicContact CD2-CD2 4.33Å
42L82.2Confident75.4Confident3 Ų357.7 Ų57.72%0.01632%0.318CS..Hα-helixtrans-66.8-42.3177.3-70.7-157.6000113.9V30 K38 R44 L45 Q46 H60 V94 V96V30-L42 HydrophobicContact CG2-CD2 4.31Å; K38-L42 PolarHBondContact O-N 3.34Å; L42-R44 PolarHBondContact O-N 2.73Å; L42-L45 HydrophobicContact CD2-CD1 4.05Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-L45 VanDerWaalsContact O-N 3.08Å; L42-Q46 WeakPolarHBondContact O-CB 3.29Å; L42-Q46 PolarHBondContact O-N 2.83Å; L42-H60 HydrophobicContact CD1-CB 4.17Å; L42-H60 VanDerWaalsContact CD1-CD2 3.41Å; L42-H60 WeakPolarHBondContact CD1-CD2 3.34Å; L42-V94 HydrophobicContact CD1-CB 4.47Å; L42-V94 HydrophobicContact CD1-CG1 3.72Å; L42-V94 HydrophobicContact CD2-CG1 3.81Å; L42-V94 HydrophobicContact CG-CG1 4.45Å; L42-V96 HydrophobicContact CD1-CG2 3.05Å; L42-V96 HydrophobicContact CG-CG2 4.01Å
43A80.7Confident74.3Confident11 Ų1165.5 Ų65.59%0.09135%0.352CS..Hα-helixtrans-51.9-44.1172.100000110.7T39 Q46 G47 I48 P51T39-A43 WeakPolarHBondContact O-CB 3.31Å; T39-A43 PolarHBondContact O-N 2.74Å; A43-Q46 PolarHBondContact O-N 3.44Å; A43-G47 PolarHBondContact O-N 3.35Å; A43-I48 CarbonylContact C-O 3.5Å; A43-I48 WeakPolarHBondContact CA-O 3.14Å; A43-I48 WeakPolarHBondContact CB-O 3.36Å; A43-I48 PolarHBondContact O-N 3.22Å; A43-I48 VanDerWaalsContact O-O 3.04Å; A43-P51 HydrophobicContact CB-CB 4.31Å
44R80.1Confident73Confident117 Ų11765 Ų6544%0.44236%0.358SS..Hα-helixtrans-70.1-37176.5-67.5-65.9-175.9158.72.6113.6S40 L41 L42 Q46 G47 A265S40-R44 WeakPolarHBondContact O-CB 3.39Å; S40-R44 WeakPolarHBondContact O-CG 3.36Å; S40-R44 PolarHBondContact O-N 2.91Å; S40-R44 VanDerWaalsContact O-N 3.11Å; L41-R44 PolarHBondContact O-N 3.14Å; L42-R44 PolarHBondContact O-N 2.73Å; R44-Q46 VanDerWaalsContact C-N 3.35Å; R44-G47 PolarHBondContact O-N 2.84Å; R44-A265 PolarHBondContact NH2-O 2.96Å
45L77.6Confident72.1Confident33 Ų3366.2 Ų66.217%0.17338%0.377CS..Hα-helixtrans-67-35.6175.1-71.9-177.2000112.6L41 L42 G47 L62 C271 Y275L41-L45 HydrophobicContact CD2-CD1 3.58Å; L41-L45 HydrophobicContact CD2-CG 4.09Å; L41-L45 WeakPolarHBondContact O-CG 3.44Å; L41-L45 PolarHBondContact O-N 2.99Å; L42-L45 HydrophobicContact CD2-CD1 4.05Å; L42-L45 PolarHBondContact O-N 3.33Å; L42-L45 VanDerWaalsContact O-N 3.08Å; L45-G47 VanDerWaalsContact C-N 3.32Å; L45-L62 HydrophobicContact CB-CD2 4.19Å; L45-C271 HydrophobicContact CD2-CB 4.34Å; L45-C271 WeakPolarHBondContact CD2-O 3.44Å; L45-Y275 HydrophobicContact CD2-CD2 4.39Å
46Q76.5Confident71.6Confident54 Ų5460.7 Ų60.725%0.25235%0.349SS..Hα-helixtrans-80.5-12.7176.5-72.2174.4-14.500113.3L42 A43 R44 I48 H60 L62L42-Q46 WeakPolarHBondContact O-CB 3.29Å; L42-Q46 PolarHBondContact O-N 2.83Å; A43-Q46 PolarHBondContact O-N 3.44Å; R44-Q46 VanDerWaalsContact C-N 3.35Å; Q46-I48 HydrophobicContact CB-CB 4.32Å; Q46-I48 HydrophobicContact CB-CD1 3.98Å; Q46-I48 HydrophobicContact CB-CG1 3.97Å; Q46-I48 PolarHBondContact O-N 3.41Å; Q46-H60 VanDerWaalsContact NE2-CB 3.32Å; Q46-H60 PolarHBondContact NE2-ND1 3.04Å; Q46-L62 HydrophobicContact CB-CD2 4.33Å; Q46-L62 HydrophobicContact CG-CD2 3.37Å; Q46-L62 HydrophobicContact CG-CG 4.37Å
47G69.3Low71.4Confident64 Ų6462.6 Ų62.666%0.6636%0.358SS*.THydrogen-bonded Turntrans68.417.9-170.300000113.8A43 R44 L45A43-G47 PolarHBondContact O-N 3.35Å; R44-G47 PolarHBondContact O-N 2.84Å; L45-G47 VanDerWaalsContact C-N 3.32Å
48I70.9Confident71.3Confident91 Ų9162.6 Ų62.647%0.46735%0.352SS..  trans-101.4113.2179.6-60.2173000108.1A43 Q46 D50A43-I48 CarbonylContact C-O 3.5Å; A43-I48 WeakPolarHBondContact CA-O 3.14Å; A43-I48 WeakPolarHBondContact CB-O 3.36Å; A43-I48 PolarHBondContact O-N 3.22Å; A43-I48 VanDerWaalsContact O-O 3.04Å; Q46-I48 HydrophobicContact CB-CB 4.32Å; Q46-I48 HydrophobicContact CB-CD1 3.98Å; Q46-I48 HydrophobicContact CB-CG1 3.97Å; Q46-I48 PolarHBondContact O-N 3.41Å; I48-D50 VanDerWaalsContact C-N 3.25Å; I48-D50 PolarHBondContact O-N 3.24Å
49D59.2Low71.2Confident118 Ų11868.3 Ų68.363%0.63138%0.375SS*.  trans-76.2-3.6-176-78.7-39.2000115P51D49-P51 WeakPolarHBondContact O-CD 3.45Å
50D56.7Low70.9Confident131 Ų13169 Ų6970%0.70138%0.376SS*.  trans-10490.6-178.3-78.1-27.3000112.3I48 K52I48-D50 VanDerWaalsContact C-N 3.25Å; I48-D50 PolarHBondContact O-N 3.24Å; D50-K52 PolarHBondContact O-N 2.83Å
51P61Low70.6Confident66 Ų6669.7 Ų69.743%0.42938%0.378SS..  trans-71.596.9175.129.8-34.9000109.9T39 A43 D49 K53T39-P51 HydrophobicContact CG2-CB 3.69Å; A43-P51 HydrophobicContact CB-CB 4.31Å; D49-P51 WeakPolarHBondContact O-CD 3.45Å; P51-K53 PolarHBondContact O-N 3.37Å
52K59.9Low70.2Confident180 Ų18069.6 Ų69.678%0.78338%0.377SS*.  trans-74.4105165-70.5179.8-174.9168.20108D50 G54D50-K52 PolarHBondContact O-N 2.83Å; K52-G54 PolarHBondContact O-N 3.26Å; K52-G54 VanDerWaalsContact O-N 3.09Å
53K60.8Low69.5Low163 Ų16374.4 Ų74.471%0.70940%0.4SS*.  trans-66.3105.1169.7-60.3-176.2-179.4-173.20108.9P51P51-K53 PolarHBondContact O-N 3.37Å
54G56.5Low68.8Low36 Ų3674.3 Ų74.337%0.37140%0.398SS..  trans-79.3170.1159.800000110.7K52 E58K52-G54 PolarHBondContact O-N 3.26Å; K52-G54 VanDerWaalsContact O-N 3.09Å; G54-E58 WeakPolarHBondContact CA-OE1 3.14Å; G54-E58 PolarHBondContact N-OE1 2.86Å
55A60.5Low67.7Low88 Ų8872.5 Ų72.573%0.72740%0.397SS*.SBendtrans-118.4134.5173.700000108.3
56G66.5Low66.5Low6 Ų673 Ų736%0.06240%0.402CS..SBendtrans92.7-112.5178.500000113.6D98G56-D98 PolarHBondContact O-N 2.63Å
57L72.5Confident65.1Low41 Ų4175.9 Ų75.922%0.21542%0.419CS..EExtended strand (participates in β ladder)trans-108.1107.2-178.7-173.677.7000109.3W95 V96 L97 L106 L109L57-W95 HydrophobicContact CD1-CB 4.21Å; L57-W95 HydrophobicContact CD1-CE3 4.1Å; L57-W95 HydrophobicContact CD2-CE3 3.53Å; L57-W95 HydrophobicContact CD2-CZ3 3.64Å; L57-W95 HydrophobicContact CG-CE3 3.85Å; L57-W95 HydrophobicContact CG-CZ3 4.37Å; L57-V96 WeakPolarHBondContact CA-O 3.34Å; L57-L97 HydrophobicContact CD1-CD1 3.79Å; L57-L106 HydrophobicContact CB-CB 4.42Å; L57-L106 HydrophobicContact CB-CD1 3.72Å; L57-L106 HydrophobicContact CD1-CB 4.34Å; L57-L106 HydrophobicContact CD2-CB 4.14Å; L57-L109 HydrophobicContact CD2-CD2 4.41Å
58E79Confident64.2Low24 Ų2480.9 Ų80.911%0.11242%0.42CS..EExtended strand (participates in β ladder)trans-88.6128170.4-57.7179.4-176.900109.1G54 H60 W95 V96G54-E58 WeakPolarHBondContact CA-OE1 3.14Å; G54-E58 PolarHBondContact N-OE1 2.86Å; E58-H60 IonicContact OE2-CD2 2.97Å; E58-H60 IonicContact OE2-CE1 3.67Å; E58-H60 IonicContact OE2-NE2 3.93Å; E58-H60 PolarHBondContact OE2-NE2 3.38Å; E58-W95 CarbonylContact O-C 3.54Å; E58-W95 WeakPolarHBondContact O-CA 3.4Å; E58-V96 HydrophobicContact CB-CB 4.15Å; E58-V96 PolarHBondContact N-O 2.67Å; E58-V96 PolarHBondContact O-N 3.32Å
59Y79.6Confident63.1Low126 Ų12685.4 Ų85.449%0.49444%0.436SS..EExtended strand (participates in β ladder)trans-101.1125.8170-178.5-109.3000109.5V61 W95Y59-V61 HydrophobicContact CD1-CG2 4.2Å; Y59-V61 HydrophobicContact CE1-CG2 3.35Å; Y59-W95 AromaticContact CD2-CD2 3.62Å; Y59-W95 HydrophobicContact CD2-CD2 3.62Å; Y59-W95 AromaticContact CD2-CE2 3.56Å; Y59-W95 AromaticContact CD2-CE3 3.6Å; Y59-W95 HydrophobicContact CD2-CE3 3.6Å; Y59-W95 HydrophobicContact CD2-CG 4.43Å; Y59-W95 AromaticContact CD2-CH2 3.57Å; Y59-W95 HydrophobicContact CD2-CH2 3.57Å; Y59-W95 AromaticContact CD2-CZ2 3.56Å; Y59-W95 HydrophobicContact CD2-CZ2 3.56Å; Y59-W95 AromaticContact CD2-CZ3 3.58Å; Y59-W95 HydrophobicContact CD2-CZ3 3.58Å; Y59-W95 HydrophobicContact CE2-CD2 4.17Å; Y59-W95 AromaticContact CE2-CE2 3.64Å; Y59-W95 HydrophobicContact CE2-CE3 4.49Å; Y59-W95 AromaticContact CE2-CH2 3.92Å; Y59-W95 HydrophobicContact CE2-CH2 3.92Å; Y59-W95 AromaticContact CE2-CZ2 3.52Å; Y59-W95 HydrophobicContact CE2-CZ2 3.52Å; Y59-W95 HydrophobicContact CE2-CZ3 4.38Å; Y59-W95 HydrophobicContact CG-CE3 4.31Å; Y59-W95 HydrophobicContact CG-CH2 4.24Å; Y59-W95 HydrophobicContact CG-CZ3 4.07Å
60H75.4Confident62.4Low41 Ų4184.3 Ų84.319%0.1943%0.43CS..EExtended strand (participates in β ladder)trans-126.3136.1-177.9-79.2-68.6000108L42 Q46 E58 V94L42-H60 HydrophobicContact CD1-CB 4.17Å; L42-H60 VanDerWaalsContact CD1-CD2 3.41Å; L42-H60 WeakPolarHBondContact CD1-CD2 3.34Å; Q46-H60 VanDerWaalsContact NE2-CB 3.32Å; Q46-H60 PolarHBondContact NE2-ND1 3.04Å; E58-H60 IonicContact OE2-CD2 2.97Å; E58-H60 IonicContact OE2-CE1 3.67Å; E58-H60 IonicContact OE2-NE2 3.93Å; E58-H60 PolarHBondContact OE2-NE2 3.38Å; H60-V94 HydrophobicContact CB-CB 4.04Å; H60-V94 PolarHBondContact N-O 3.21Å; H60-V94 PolarHBondContact O-N 2.84Å
61V75.1Confident61.6Low59 Ų5980.5 Ų80.536%0.35842%0.422SS..EExtended strand (participates in β ladder)trans-106.9119173.3-177.80000107.4Y59 R91Y59-V61 HydrophobicContact CD1-CG2 4.2Å; Y59-V61 HydrophobicContact CE1-CG2 3.35Å; V61-R91 HydrophobicContact CG1-CB 4.11Å; V61-R91 HydrophobicContact CG1-CG 4.14Å
62L74.6Confident61.1Low9 Ų981.3 Ų81.35%0.04743%0.429CS..EExtended strand (participates in β ladder)trans-90.3113.3168.9-75.8171.2000107.7L45 Q46 I64 L92 V94 Y275L45-L62 HydrophobicContact CB-CD2 4.19Å; Q46-L62 HydrophobicContact CB-CD2 4.33Å; Q46-L62 HydrophobicContact CG-CD2 3.37Å; Q46-L62 HydrophobicContact CG-CG 4.37Å; L62-I64 PolarHBondContact O-N 3.37Å; L62-L92 HydrophobicContact CB-CB 4.13Å; L62-L92 HydrophobicContact CD1-CD2 4.21Å; L62-L92 PolarHBondContact N-O 3.48Å; L62-L92 PolarHBondContact O-N 2.86Å; L62-V94 HydrophobicContact CB-CG2 4.41Å; L62-V94 HydrophobicContact CD1-CG2 3.37Å; L62-V94 HydrophobicContact CG-CG2 3.76Å; L62-Y275 HydrophobicContact CD1-CE2 4.16Å
63E67.7Low60.6Low105 Ų10576.6 Ų76.649%0.49141%0.407SS..EExtended strand (participates in β ladder)trans-81.6104.1168.3-64.9-170.4155.200107.9N65 R91E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.43Å; E63-N65 VanDerWaalsContact O-N 3.14Å; E63-R91 HydrophobicContact CG-CG 4.46Å; E63-R91 IonicContact OE1-CZ 2.89Å; E63-R91 IonicContact OE1-NE 2.78Å; E63-R91 IonicContact OE1-NH2 3.28Å
64I65.3Low60Low8 Ų869.9 Ų69.94%0.04138%0.382CS..EExtended strand (participates in β ladder)trans-79.192.2171.4-50.5150.7000105.6L62 P66 L90 L92 Y275 L279 Y283L62-I64 PolarHBondContact O-N 3.37Å; I64-P66 VanDerWaalsContact O-CD 3.3Å; I64-P66 WeakPolarHBondContact O-CD 3.28Å; I64-L90 WeakPolarHBondContact CA-O 3.22Å; I64-L90 HydrophobicContact CB-CB 3.69Å; I64-L90 WeakPolarHBondContact CB-O 3.42Å; I64-L90 HydrophobicContact CD1-CB 3.82Å; I64-L90 HydrophobicContact CG1-CB 4.33Å; I64-L90 HydrophobicContact CG2-CB 4.27Å; I64-L90 PolarHBondContact N-O 2.83Å; I64-L90 PolarHBondContact O-N 3.02Å; I64-L92 HydrophobicContact CD1-CB 3.68Å; I64-L92 HydrophobicContact CD1-CD2 4.42Å; I64-L92 HydrophobicContact CG1-CB 4.28Å; I64-Y275 WeakPolarHBondContact CA-OH 3.44Å; I64-Y275 WeakPolarHBondContact CB-OH 3.13Å; I64-Y275 HydrophobicContact CG1-CE2 4.42Å; I64-Y275 WeakPolarHBondContact CG1-OH 3.37Å; I64-L279 HydrophobicContact CD1-CD2 3.24Å; I64-L279 HydrophobicContact CG1-CD2 3.74Å; I64-L279 HydrophobicContact CG2-CD1 3.89Å; I64-L279 HydrophobicContact CG2-CD2 4.08Å; I64-Y283 HydrophobicContact CD1-CE2 3.77Å
65N57.9Low59.8Low80 Ų8076.8 Ų76.843%0.42840%0.398SS..  trans-71.9124.9160.4-67.8-29.4000106.5E63 D67 S89E63-N65 VanDerWaalsContact C-N 3.34Å; E63-N65 PolarHBondContact O-N 3.43Å; E63-N65 VanDerWaalsContact O-N 3.14Å; N65-D67 HydrophobicContact CB-CB 4.17Å; N65-D67 PolarHBondContact O-N 2.95Å; N65-S89 WeakPolarHBondContact OD1-CB 3.47Å
66P52.8Low59.4Low44 Ų4477.2 Ų77.229%0.28639%0.385SS..  trans-67.765.8160.629.3-31.8000107.7I64 Y68 L77I64-P66 VanDerWaalsContact O-CD 3.3Å; I64-P66 WeakPolarHBondContact O-CD 3.28Å; P66-Y68 PolarHBondContact O-N 2.9Å; P66-L77 HydrophobicContact CB-CD1 3.82Å; P66-L77 HydrophobicContact CB-CD2 4.24Å
67D46.3Very low58.6Low113 Ų11378.8 Ų78.860%0.60439%0.391SS*.  trans-69.9120-169.9-102-14.9000108.9N65 K69N65-D67 HydrophobicContact CB-CB 4.17Å; N65-D67 PolarHBondContact O-N 2.95Å; D67-K69 PolarHBondContact O-N 3Å
68Y49.6Very low57.5Low170 Ų17080 Ų8067%0.66740%0.403SS*.THydrogen-bonded Turntrans-5311-175.9-94.2-107.1000117P66 N70 A74P66-Y68 PolarHBondContact O-N 2.9Å; Y68-N70 PolarHBondContact O-N 3.34Å; Y68-A74 HydrophobicContact CE1-CB 4.49Å
69K48.6Very low56.1Low185 Ų18585.4 Ų85.480%0.80443%0.433SS*.THydrogen-bonded Turntrans-76.2-22.1-171.1-73.4-173.6177.3174.70114.1D67D67-K69 PolarHBondContact O-N 3Å
70N43.4Very low54.8Low96 Ų9682.2 Ų82.251%0.51343%0.433SS..SBendtrans-113.591.1169.3-68.425.6000107.9Y68 S72 Y73Y68-N70 PolarHBondContact O-N 3.34Å; N70-S72 PolarHBondContact O-N 3.33Å; N70-Y73 HydrophobicContact CB-CD2 4.4Å; N70-Y73 PolarHBondContact O-N 3.06Å
71G40.6Very low53.8Low51 Ų5182 Ų8253%0.52643%0.433SS..THydrogen-bonded Turntrans-55.4-8-174.900000116.2
72S49.7Very low52.7Low83 Ų8384.4 Ų84.458%0.5845%0.45SS*.THydrogen-bonded Turntrans-80.1-26.1171.234.50000114.2N70N70-S72 PolarHBondContact O-N 3.33Å
73Y50.9Low51.5Low81 Ų8189.5 Ų89.532%0.31848%0.477SS..Hα-helixtrans-82.9-32-178.9-94.6-89.7000113N70 Y75 Q76 L77N70-Y73 HydrophobicContact CB-CD2 4.4Å; N70-Y73 PolarHBondContact O-N 3.06Å; Y73-Y75 VanDerWaalsContact C-N 3.3Å; Y73-Y75 PolarHBondContact O-N 2.86Å; Y73-Q76 PolarHBondContact O-N 2.89Å; Y73-Q76 VanDerWaalsContact O-N 3.1Å; Y73-L77 WeakPolarHBondContact O-CB 3.29Å; Y73-L77 VanDerWaalsContact O-CD1 3.31Å; Y73-L77 WeakPolarHBondContact O-CD1 3.32Å; Y73-L77 WeakPolarHBondContact O-CG 3.34Å; Y73-L77 PolarHBondContact O-N 2.86Å
74A48.6Very low50.8Low22 Ų2286 Ų8618%0.18246%0.463CS..Hα-helixtrans-60.2-35.5-176.600000113.6Y68 S78Y68-A74 HydrophobicContact CE1-CB 4.49Å; A74-S78 PolarHBondContact O-N 3.39Å; A74-S78 VanDerWaalsContact O-N 3.12Å
75Y50.5Low50Low180 Ų18089.1 Ų89.171%0.70649%0.485SS*.Hα-helixtrans-75.8-28.7176.7-74.6-78.8000113.5Y73 S78 N79Y73-Y75 VanDerWaalsContact C-N 3.3Å; Y73-Y75 PolarHBondContact O-N 2.86Å; Y75-S78 PolarHBondContact O-OG 2.87Å; Y75-S78 VanDerWaalsContact O-OG 3.06Å; Y75-N79 PolarHBondContact O-N 3.43Å
76Q51.9Low49.6Very low98 Ų9890.7 Ų90.746%0.45850%0.5SS..Hα-helixtrans-76.7-35.1173.6-68.5179.5-0.100110.7Y73 N79 A80Y73-Q76 PolarHBondContact O-N 2.89Å; Y73-Q76 VanDerWaalsContact O-N 3.1Å; Q76-N79 PolarHBondContact O-N 3.45Å; Q76-A80 WeakPolarHBondContact O-CB 3.27Å; Q76-A80 PolarHBondContact O-N 2.83Å
77L51.7Low49.4Very low38 Ų3892.2 Ų92.220%0.19952%0.523CS..Hα-helixtrans-61.5-43.4173.5-78.7153.6000112P66 Y73 N79 L81 F285P66-L77 HydrophobicContact CB-CD1 3.82Å; P66-L77 HydrophobicContact CB-CD2 4.24Å; Y73-L77 WeakPolarHBondContact O-CB 3.29Å; Y73-L77 VanDerWaalsContact O-CD1 3.31Å; Y73-L77 WeakPolarHBondContact O-CD1 3.32Å; Y73-L77 WeakPolarHBondContact O-CG 3.34Å; Y73-L77 PolarHBondContact O-N 2.86Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 2.89Å; L77-L81 PolarHBondContact O-N 2.73Å; L77-F285 HydrophobicContact CD2-CD1 4.3Å; L77-F285 HydrophobicContact CD2-CE1 3.58Å; L77-F285 HydrophobicContact CD2-CZ 3.93Å
78S48.4Very low49.8Very low66 Ų6690.2 Ų90.246%0.46251%0.511SS..Hα-helixtrans-69.3-26176.865.60000113.9A74 Y75A74-S78 PolarHBondContact O-N 3.39Å; A74-S78 VanDerWaalsContact O-N 3.12Å; Y75-S78 PolarHBondContact O-OG 2.87Å; Y75-S78 VanDerWaalsContact O-OG 3.06Å
79N49.1Very low50.4Low138 Ų13884.1 Ų84.174%0.73849%0.493SS*.Hα-helixtrans-89.9-30.4-177.9-760.8000113.2Y75 Q76 L77Y75-N79 PolarHBondContact O-N 3.43Å; Q76-N79 PolarHBondContact O-N 3.45Å; L77-N79 VanDerWaalsContact C-N 3.3Å; L77-N79 PolarHBondContact O-N 2.89Å
80A53.8Low51.1Low60 Ų6075.8 Ų75.850%0.49646%0.457SS..Hα-helixtrans-83.6-2617900000112.8Q76Q76-A80 WeakPolarHBondContact O-CB 3.27Å; Q76-A80 PolarHBondContact O-N 2.83Å
81L53.8Low52.4Low37 Ų3778.1 Ų78.119%0.19446%0.458CS..  trans-124.985178-72.5158.6000108.6L23 L77 D83 V84 F285L23-L81 HydrophobicContact CD2-CD1 4.24Å; L23-L81 HydrophobicContact CD2-CD2 4.05Å; L77-L81 PolarHBondContact O-N 2.73Å; L81-D83 PolarHBondContact O-N 3.42Å; L81-D83 VanDerWaalsContact O-N 3.11Å; L81-V84 HydrophobicContact CB-CB 4.19Å; L81-V84 HydrophobicContact CB-CG2 3.65Å; L81-V84 HydrophobicContact CD1-CG2 4.1Å; L81-V84 HydrophobicContact CD2-CG2 4.42Å; L81-V84 HydrophobicContact CG-CG2 4.27Å; L81-V84 PolarHBondContact O-N 3.07Å; L81-F285 HydrophobicContact CD1-CE1 3.58Å; L81-F285 HydrophobicContact CD1-CZ 3.66Å
82P50.6Low54.1Low108 Ų10875.7 Ų75.770%0.70143%0.434SS*.THydrogen-bonded Turntrans-63.6-15.1-17924.4-32.5000113.5
83D50.8Low55.6Low116 Ų11672.1 Ų72.162%0.6241%0.409SS*.THydrogen-bonded Turntrans-102.23-175.4-65.3-27000114L81L81-D83 PolarHBondContact O-N 3.42Å; L81-D83 VanDerWaalsContact O-N 3.11Å
84V53.1Low57.3Low33 Ų3368.3 Ų68.320%0.240%0.395CS..  trans-93.7109.5177.5178.60000110.2L23 L81L23-V84 HydrophobicContact CD1-CG2 3.86Å; L23-V84 HydrophobicContact CD2-CG2 3.38Å; L23-V84 HydrophobicContact CG-CG2 4.03Å; L81-V84 HydrophobicContact CB-CB 4.19Å; L81-V84 HydrophobicContact CB-CG2 3.65Å; L81-V84 HydrophobicContact CD1-CG2 4.1Å; L81-V84 HydrophobicContact CD2-CG2 4.42Å; L81-V84 HydrophobicContact CG-CG2 4.27Å; L81-V84 PolarHBondContact O-N 3.07Å
85S48.8Very low59Low73 Ų7369.3 Ų69.351%0.5139%0.394SS..  trans-63.7137.2168.6-84.70000110.2G87 E88S85-G87 VanDerWaalsContact C-N 3.34Å; S85-G87 PolarHBondContact O-N 3.04Å; S85-E88 PolarHBondContact O-N 3.04Å; S85-E88 VanDerWaalsContact O-N 3.07Å
86P48.4Very low60.8Low112 Ų11261 Ų6173%0.72736%0.362SS*.THydrogen-bonded Turntrans-6395174.426-32.3000109.2
87G49.3Very low62.3Low76 Ų7656.4 Ų56.478%0.78434%0.34SS*.THydrogen-bonded Turntrans145.6-16.5-173.600000114.6S85 S89S85-G87 VanDerWaalsContact C-N 3.34Å; S85-G87 PolarHBondContact O-N 3.04Å; G87-S89 PolarHBondContact O-N 3.38Å
88E53.9Low63.6Low72 Ų7257.1 Ų57.134%0.33634%0.344SS..  trans-84.6113.4174.9-68.4-173.3161.800110.6S85 L90S85-E88 PolarHBondContact O-N 3.04Å; S85-E88 VanDerWaalsContact O-N 3.07Å; E88-L90 PolarHBondContact O-N 3.41Å
89S61.6Low64.5Low42 Ų4254 Ų5429%0.29432%0.323SS..PPolyproline II helixtrans-73123.1172.257.40000109.4N65 G87 R91N65-S89 WeakPolarHBondContact OD1-CB 3.47Å; G87-S89 PolarHBondContact O-N 3.38Å; S89-R91 PolarHBondContact O-N 3.44Å
90L64.8Low65.5Low9 Ų950.7 Ų50.75%0.04731%0.305CS..EExtended strand (participates in β ladder)trans-68.4126.1173.3-97.5171.4000109.3L23 I64 E88 Y283 F285L23-L90 HydrophobicContact CB-CD2 3.46Å; L23-L90 VanDerWaalsContact CB-CD2 3.46Å; L23-L90 HydrophobicContact CD1-CD2 3.9Å; L23-L90 HydrophobicContact CD1-CG 4.44Å; L23-L90 HydrophobicContact CD2-CD1 3.93Å; L23-L90 HydrophobicContact CD2-CD2 3.12Å; L23-L90 HydrophobicContact CD2-CG 3.67Å; L23-L90 HydrophobicContact CG-CD2 3.58Å; L23-L90 HydrophobicContact CG-CG 4.43Å; I64-L90 WeakPolarHBondContact CA-O 3.22Å; I64-L90 HydrophobicContact CB-CB 3.69Å; I64-L90 WeakPolarHBondContact CB-O 3.42Å; I64-L90 HydrophobicContact CD1-CB 3.82Å; I64-L90 HydrophobicContact CG1-CB 4.33Å; I64-L90 HydrophobicContact CG2-CB 4.27Å; I64-L90 PolarHBondContact N-O 2.83Å; I64-L90 PolarHBondContact O-N 3.02Å; E88-L90 PolarHBondContact O-N 3.41Å; L90-Y283 HydrophobicContact CD1-CE1 4.33Å; L90-Y283 HydrophobicContact CD1-CE2 4.25Å; L90-Y283 HydrophobicContact CD2-CE1 3.65Å; L90-Y283 HydrophobicContact CD2-CE2 4.43Å; L90-Y283 WeakPolarHBondContact CD2-OH 3.31Å; L90-F285 HydrophobicContact CD1-CZ 4.35Å
91R69.7Low66.1Low145 Ų14551 Ų5155%0.54730%0.302SS..EExtended strand (participates in β ladder)trans-101.8120.7178.4-71.5-177.6172.3168.11.2110.1V61 E63 S89V61-R91 HydrophobicContact CG1-CB 4.11Å; V61-R91 HydrophobicContact CG1-CG 4.14Å; E63-R91 HydrophobicContact CG-CG 4.46Å; E63-R91 IonicContact OE1-CZ 2.89Å; E63-R91 IonicContact OE1-NE 2.78Å; E63-R91 IonicContact OE1-NH2 3.28Å; S89-R91 PolarHBondContact O-N 3.44Å
92L77.5Confident66.6Low1 Ų157.7 Ų57.71%0.00533%0.33CS..EExtended strand (participates in β ladder)trans-108.2117175.5-174.772.8000109.6G26 V28 L62 I64 V94 I278 I282G26-L92 VanDerWaalsContact C-CD1 3.42Å; G26-L92 VanDerWaalsContact O-CD1 3.27Å; G26-L92 WeakPolarHBondContact O-CD1 3.31Å; V28-L92 HydrophobicContact CG2-CD1 3.94Å; V28-L92 HydrophobicContact CG2-CD2 3.57Å; V28-L92 HydrophobicContact CG2-CG 3.82Å; L62-L92 HydrophobicContact CB-CB 4.13Å; L62-L92 HydrophobicContact CD1-CD2 4.21Å; L62-L92 PolarHBondContact N-O 3.48Å; L62-L92 PolarHBondContact O-N 2.86Å; I64-L92 HydrophobicContact CD1-CB 3.68Å; I64-L92 HydrophobicContact CD1-CD2 4.42Å; I64-L92 HydrophobicContact CG1-CB 4.28Å; L92-V94 PolarHBondContact O-N 3.32Å; L92-I278 HydrophobicContact CD2-CG2 4.06Å; L92-I282 HydrophobicContact CD1-CD1 3.36Å; L92-I282 HydrophobicContact CD1-CG2 4.48Å; L92-I282 HydrophobicContact CD2-CD1 4.36Å; L92-I282 HydrophobicContact CG-CD1 4.46Å
93G81.2Confident67.5Low7 Ų755.4 Ų55.47%0.07231%0.307CS..EExtended strand (participates in β ladder)trans-78.4119.1176.200000109.7G26 S27 V28G26-G93 PolarHBondContact O-N 3.42Å; S27-G93 CarbonylContact C-O 3.47Å; S27-G93 WeakPolarHBondContact CA-O 3.35Å; V28-G93 PolarHBondContact N-O 3.17Å
94V85.2Confident68.2Low2 Ų252 Ų521%0.01229%0.293CS..EExtended strand (participates in β ladder)trans-110122.3176.4-1720000109.4V28 V30 L42 H60 L62 L92V28-V94 HydrophobicContact CB-CB 4.49Å; V28-V94 HydrophobicContact CB-CG1 4.25Å; V28-V94 HydrophobicContact CB-CG2 4.18Å; V28-V94 HydrophobicContact CG1-CG1 4.35Å; V28-V94 CarbonylContact O-C 3.56Å; V28-V94 WeakPolarHBondContact O-CA 3.48Å; V30-V94 HydrophobicContact CG2-CG1 3.68Å; L42-V94 HydrophobicContact CD1-CB 4.47Å; L42-V94 HydrophobicContact CD1-CG1 3.72Å; L42-V94 HydrophobicContact CD2-CG1 3.81Å; L42-V94 HydrophobicContact CG-CG1 4.45Å; H60-V94 HydrophobicContact CB-CB 4.04Å; H60-V94 PolarHBondContact N-O 3.21Å; H60-V94 PolarHBondContact O-N 2.84Å; L62-V94 HydrophobicContact CB-CG2 4.41Å; L62-V94 HydrophobicContact CD1-CG2 3.37Å; L62-V94 HydrophobicContact CG-CG2 3.76Å; L92-V94 PolarHBondContact O-N 3.32Å
95W86Confident69.2Low43 Ų4354.2 Ų54.216%0.16331%0.308CS..EExtended strand (participates in β ladder)trans-107117.1178.6-58.193.6000108.7S27 V28 L29 V30 L57 E58 Y59 A110S27-W95 PolarHBondContact OG-NE1 2.95Å; S27-W95 VanDerWaalsContact OG-NE1 3.17Å; V28-W95 PolarHBondContact O-N 2.85Å; L29-W95 CarbonylContact C-O 3.56Å; L29-W95 HydrophobicContact CD1-CB 4.05Å; V30-W95 PolarHBondContact N-O 3.46Å; L57-W95 HydrophobicContact CD1-CB 4.21Å; L57-W95 HydrophobicContact CD1-CE3 4.1Å; L57-W95 HydrophobicContact CD2-CE3 3.53Å; L57-W95 HydrophobicContact CD2-CZ3 3.64Å; L57-W95 HydrophobicContact CG-CE3 3.85Å; L57-W95 HydrophobicContact CG-CZ3 4.37Å; E58-W95 CarbonylContact O-C 3.54Å; E58-W95 WeakPolarHBondContact O-CA 3.4Å; Y59-W95 AromaticContact CD2-CD2 3.62Å; Y59-W95 HydrophobicContact CD2-CD2 3.62Å; Y59-W95 AromaticContact CD2-CE2 3.56Å; Y59-W95 AromaticContact CD2-CE3 3.6Å; Y59-W95 HydrophobicContact CD2-CE3 3.6Å; Y59-W95 HydrophobicContact CD2-CG 4.43Å; Y59-W95 AromaticContact CD2-CH2 3.57Å; Y59-W95 HydrophobicContact CD2-CH2 3.57Å; Y59-W95 AromaticContact CD2-CZ2 3.56Å; Y59-W95 HydrophobicContact CD2-CZ2 3.56Å; Y59-W95 AromaticContact CD2-CZ3 3.58Å; Y59-W95 HydrophobicContact CD2-CZ3 3.58Å; Y59-W95 HydrophobicContact CE2-CD2 4.17Å; Y59-W95 AromaticContact CE2-CE2 3.64Å; Y59-W95 HydrophobicContact CE2-CE3 4.49Å; Y59-W95 AromaticContact CE2-CH2 3.92Å; Y59-W95 HydrophobicContact CE2-CH2 3.92Å; Y59-W95 AromaticContact CE2-CZ2 3.52Å; Y59-W95 HydrophobicContact CE2-CZ2 3.52Å; Y59-W95 HydrophobicContact CE2-CZ3 4.38Å; Y59-W95 HydrophobicContact CG-CE3 4.31Å; Y59-W95 HydrophobicContact CG-CH2 4.24Å; Y59-W95 HydrophobicContact CG-CZ3 4.07Å; W95-A110 HydrophobicContact CB-CB 3.86Å; W95-A110 HydrophobicContact CD2-CB 3.68Å; W95-A110 HydrophobicContact CE3-CB 4.33Å; W95-A110 HydrophobicContact CG-CB 3.45Å; W95-A110 VanDerWaalsContact CG-CB 3.45Å
96V86.5Confident70.5Confident5 Ų553.4 Ų53.43%0.0330%0.298CS..EExtended strand (participates in β ladder)trans-102.5123174.5-175.20000108.6V30 K38 L42 L57 E58V30-V96 HydrophobicContact CB-CG2 4.21Å; V30-V96 WeakPolarHBondContact O-CA 3.29Å; K38-V96 HydrophobicContact CB-CG1 3.94Å; K38-V96 HydrophobicContact CD-CG1 4.1Å; K38-V96 HydrophobicContact CG-CG1 4.47Å; L42-V96 HydrophobicContact CD1-CG2 3.05Å; L42-V96 HydrophobicContact CG-CG2 4.01Å; L57-V96 WeakPolarHBondContact CA-O 3.34Å; E58-V96 HydrophobicContact CB-CB 4.15Å; E58-V96 PolarHBondContact N-O 2.67Å; E58-V96 PolarHBondContact O-N 3.32Å
97L83.7Confident71.9Confident1 Ų148.2 Ų48.21%0.00526%0.264CS..EExtended strand (participates in β ladder)trans-96131.3170.4-152.867.4000110V30 L31 K38 L57 Y103 L106 I107 W140V30-L97 PolarHBondContact O-N 3.23Å; L31-L97 HydrophobicContact CD2-CB 3.58Å; L31-L97 HydrophobicContact CD2-CD2 3.63Å; L31-L97 HydrophobicContact CD2-CG 4.28Å; K38-L97 PolarHBondContact NZ-O 3.14Å; L57-L97 HydrophobicContact CD1-CD1 3.79Å; L97-Y103 VanDerWaalsContact CD1-CB 3.4Å; L97-Y103 HydrophobicContact CD1-CG 4.27Å; L97-L106 HydrophobicContact CD1-CB 4.29Å; L97-I107 HydrophobicContact CD2-CD1 3.71Å; L97-I107 HydrophobicContact CD2-CG1 3.88Å; L97-W140 HydrophobicContact CD2-CZ3 4.06Å
98D79.4Confident73Confident53 Ų5347.5 Ų47.528%0.28325%0.247SC..PPolyproline II helixtrans-85.3158.4168.9-146.214.8000113.1N34 K38 G56 D100 Y103N34-D98 PolarHBondContact OD1-OD1 2.97Å; N34-D98 VanDerWaalsContact OD1-OD1 3.06Å; K38-D98 IonicContact NZ-OD1 3.89Å; K38-D98 PolarHBondContact NZ-OD1 3.03Å; G56-D98 PolarHBondContact O-N 2.63Å; D98-D100 PolarHBondContact O-N 3.38Å; D98-Y103 WeakPolarHBondContact O-CD2 3.32Å
99G67.1Low73.8Confident1 Ų149.3 Ų49.31%0.0126%0.258CS..SBendtrans-64.35.2-15200000119.2N34 K139N34-G99 VanDerWaalsContact OD1-CA 3.28Å; N34-G99 WeakPolarHBondContact OD1-CA 3.18Å; N34-G99 PolarHBondContact OD1-N 2.93Å; G99-K139 PolarHBondContact O-NZ 2.85Å
100D70.1Confident74.5Confident68 Ų6847.4 Ų47.436%0.36425%0.245SC..  trans-92.1130.4-175.6-68.6-31.8000112.1D98 F102 Y103D98-D100 PolarHBondContact O-N 3.38Å; D100-F102 HydrophobicContact CB-CD2 4.46Å; D100-F102 PolarHBondContact O-N 2.99Å; D100-Y103 HydrophobicContact CB-CD2 3.83Å; D100-Y103 HydrophobicContact CB-CE2 3.71Å; D100-Y103 WeakPolarHBondContact O-CD2 3.5Å; D100-Y103 PolarHBondContact O-N 2.95Å
101P66.9Low75Confident66 Ų6647.2 Ų47.243%0.42924%0.244SC..G310 helixtrans-65.4-11178.528.4-34.8000113Y103 S104P101-Y103 PolarHBondContact O-N 3.22Å; P101-S104 WeakPolarHBondContact O-CB 3.42Å; P101-S104 PolarHBondContact O-N 2.68Å
102F64Low75.2Confident178 Ų17842.9 Ų42.978%0.78123%0.233SC*.G310 helixtrans-67.5-19.9174.5-68.4-72.6000113.5D100 S104 P105D100-F102 HydrophobicContact CB-CD2 4.46Å; D100-F102 PolarHBondContact O-N 2.99Å; F102-S104 PolarHBondContact O-N 2.75Å; F102-P105 VanDerWaalsContact O-CD 3.28Å; F102-P105 WeakPolarHBondContact O-CD 3.48Å
103Y69Low74.8Confident60 Ų6045.7 Ų45.724%0.23525%0.252CS..G310 helixtrans-82.97.7176.8-57-59.2000113.5L97 D98 D100 P101 L106L97-Y103 VanDerWaalsContact CD1-CB 3.4Å; L97-Y103 HydrophobicContact CD1-CG 4.27Å; D98-Y103 WeakPolarHBondContact O-CD2 3.32Å; D100-Y103 HydrophobicContact CB-CD2 3.83Å; D100-Y103 HydrophobicContact CB-CE2 3.71Å; D100-Y103 WeakPolarHBondContact O-CD2 3.5Å; D100-Y103 PolarHBondContact O-N 2.95Å; P101-Y103 PolarHBondContact O-N 3.22Å; Y103-L106 HydrophobicContact CD1-CD1 3.52Å; Y103-L106 HydrophobicContact CD1-CG 4.48Å; Y103-L106 HydrophobicContact CE1-CD1 4.39Å; Y103-L106 HydrophobicContact CG-CD1 4.17Å; Y103-L106 VanDerWaalsContact O-CB 3.26Å; Y103-L106 WeakPolarHBondContact O-CB 3.3Å; Y103-L106 PolarHBondContact O-N 3.47Å
104S67.3Low74.2Confident44 Ų4452.7 Ų52.731%0.30828%0.283SS..G310 helixtrans-34.4-55.7168125.90000115P101 F102 L106 I107 H147P101-S104 WeakPolarHBondContact O-CB 3.42Å; P101-S104 PolarHBondContact O-N 2.68Å; F102-S104 PolarHBondContact O-N 2.75Å; S104-L106 PolarHBondContact O-N 2.86Å; S104-I107 PolarHBondContact O-N 3.28Å; S104-H147 WeakPolarHBondContact CA-CE1 3.46Å; S104-H147 WeakPolarHBondContact CA-NE2 3.41Å; S104-H147 WeakPolarHBondContact CB-CE1 3.33Å; S104-H147 VanDerWaalsContact CB-NE2 3.31Å; S104-H147 WeakPolarHBondContact CB-NE2 3.42Å; S104-H147 PolarHBondContact O-CE1 2.87Å; S104-H147 PolarHBondContact O-ND1 3.3Å; S104-H147 PolarHBondContact O-NE2 2.79Å; S104-H147 PolarHBondContact OG-CE1 2.94Å
105P72.5Confident73.7Confident80 Ų8053.8 Ų53.852%0.51929%0.29SS..G310 helixtrans-76.6-9.3-176.732.4-34.4000112.9F102 I107 S108F102-P105 VanDerWaalsContact O-CD 3.28Å; F102-P105 WeakPolarHBondContact O-CD 3.48Å; P105-I107 VanDerWaalsContact C-N 3.27Å; P105-S108 PolarHBondContact O-OG 2.91Å
106L75.9Confident73.1Confident57 Ų5752.1 Ų52.130%0.29828%0.284SS..G310 helixtrans-76.2-19.9175.9-60-175.9000111.9L57 L97 Y103 S104 S108 L109 A110L57-L106 HydrophobicContact CB-CB 4.42Å; L57-L106 HydrophobicContact CB-CD1 3.72Å; L57-L106 HydrophobicContact CD1-CB 4.34Å; L57-L106 HydrophobicContact CD2-CB 4.14Å; L97-L106 HydrophobicContact CD1-CB 4.29Å; Y103-L106 HydrophobicContact CD1-CD1 3.52Å; Y103-L106 HydrophobicContact CD1-CG 4.48Å; Y103-L106 HydrophobicContact CE1-CD1 4.39Å; Y103-L106 HydrophobicContact CG-CD1 4.17Å; Y103-L106 VanDerWaalsContact O-CB 3.26Å; Y103-L106 WeakPolarHBondContact O-CB 3.3Å; Y103-L106 PolarHBondContact O-N 3.47Å; S104-L106 PolarHBondContact O-N 2.86Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.08Å; L106-L109 WeakPolarHBondContact O-CB 3.27Å; L106-L109 PolarHBondContact O-N 2.91Å; L106-A110 PolarHBondContact O-N 3.08Å
107I77.7Confident72.6Confident2 Ų255.7 Ų55.71%0.0130%0.299CS..Hα-helixtrans-65.9-32.4175.4-68.7166.1000111L29 L31 L97 S104 P105 L109 A110 L111 V143 H147L29-I107 HydrophobicContact CD1-CG1 4.47Å; L29-I107 HydrophobicContact CD2-CG1 4.27Å; L29-I107 HydrophobicContact CD2-CG2 3.9Å; L31-I107 HydrophobicContact CD2-CD1 4.37Å; L97-I107 HydrophobicContact CD2-CD1 3.71Å; L97-I107 HydrophobicContact CD2-CG1 3.88Å; S104-I107 PolarHBondContact O-N 3.28Å; P105-I107 VanDerWaalsContact C-N 3.27Å; I107-L109 VanDerWaalsContact C-N 3.25Å; I107-L109 PolarHBondContact O-N 3.24Å; I107-A110 PolarHBondContact O-N 3.11Å; I107-A110 VanDerWaalsContact O-N 3.12Å; I107-L111 HydrophobicContact CG2-CD1 3.77Å; I107-L111 HydrophobicContact CG2-CG 4.31Å; I107-L111 PolarHBondContact O-N 3.25Å; I107-V143 HydrophobicContact CD1-CG1 4.08Å; I107-H147 WeakPolarHBondContact CD1-CD2 3.47Å; I107-H147 HydrophobicContact CG2-CB 4.17Å
108S73.3Confident72.2Confident61 Ų6158.4 Ų58.443%0.42731%0.312SS..Hα-helixtrans-68.7-24.7176.667.10000113P105 L106P105-S108 PolarHBondContact O-OG 2.91Å; L106-S108 VanDerWaalsContact C-N 3.28Å; L106-S108 PolarHBondContact O-N 3.08Å
109L71.3Confident72.4Confident110 Ų11056 Ų5658%0.57630%0.299SS*.Hα-helixtrans-74.5-32.4172.2-170.268.4000111.6L57 L106 I107L57-L109 HydrophobicContact CD2-CD2 4.41Å; L106-L109 WeakPolarHBondContact O-CB 3.27Å; L106-L109 PolarHBondContact O-N 2.91Å; I107-L109 VanDerWaalsContact C-N 3.25Å; I107-L109 PolarHBondContact O-N 3.24Å
110A75.6Confident73.4Confident2 Ų256 Ų562%0.01730%0.299CS..Hα-helixtrans-79.4-30.7179.500000113.3S27 L29 W95 L106 I107S27-A110 PolarHBondContact OG-O 3.09Å; L29-A110 HydrophobicContact CD1-CB 4.27Å; W95-A110 HydrophobicContact CB-CB 3.86Å; W95-A110 HydrophobicContact CD2-CB 3.68Å; W95-A110 HydrophobicContact CE3-CB 4.33Å; W95-A110 HydrophobicContact CG-CB 3.45Å; W95-A110 VanDerWaalsContact CG-CB 3.45Å; L106-A110 PolarHBondContact O-N 3.08Å; I107-A110 PolarHBondContact O-N 3.11Å; I107-A110 VanDerWaalsContact O-N 3.12Å
111L74.7Confident74.2Confident6 Ų652.9 Ų52.93%0.03128%0.282CS..  trans-11392.1-178.9-62178.2000109.7L29 I107 L116 Y154L29-L111 HydrophobicContact CD2-CD1 4.26Å; I107-L111 HydrophobicContact CG2-CD1 3.77Å; I107-L111 HydrophobicContact CG2-CG 4.31Å; I107-L111 PolarHBondContact O-N 3.25Å; L111-L116 HydrophobicContact CB-CD2 3.94Å; L111-L116 HydrophobicContact CD1-CD2 4.36Å; L111-L116 HydrophobicContact CD2-CD2 4.27Å; L111-L116 HydrophobicContact CG-CD2 4.42Å; L111-Y154 PolarHBondContact O-OH 3.04Å
112T73.9Confident75.3Confident53 Ų5349.9 Ų49.933%0.32526%0.262SS..  trans-86.3153.9170.161.50000110E114 T115 L116T112-E114 PolarHBondContact O-N 3.27Å; T112-T115 PolarHBondContact N-OG1 3.49Å; T112-T115 PolarHBondContact O-N 2.9Å; T112-T115 PolarHBondContact O-OG1 2.74Å; T112-T115 VanDerWaalsContact O-OG1 3.1Å; T112-T115 WeakPolarHBondContact OG1-CB 3.4Å; T112-T115 VanDerWaalsContact OG1-CG2 3.32Å; T112-T115 WeakPolarHBondContact OG1-CG2 3.03Å; T112-T115 PolarHBondContact OG1-N 3.25Å; T112-T115 PolarHBondContact OG1-OG1 3.27Å; T112-L116 WeakPolarHBondContact O-CG 3.18Å; T112-L116 PolarHBondContact O-N 2.97Å
113P70Confident76.5Confident61 Ų6141.4 Ų41.440%0.39623%0.225SC..THydrogen-bonded Turntrans-52.4-32.9178.218.6-32000113Y154P113-Y154 HydrophobicContact CB-CD1 4Å; P113-Y154 HydrophobicContact CB-CE1 4.42Å
114E69Low77.5Confident153 Ų15338.5 Ų38.572%0.71521%0.214SC*.THydrogen-bonded Turntrans-73.7-36.4178.3-60179.3172.700112.9T112T112-E114 PolarHBondContact O-N 3.27Å
115T73.4Confident78.6Confident26 Ų2636.6 Ų36.616%0.1620%0.2CC..THydrogen-bonded Turntrans-86.2-13.8-178.654.80000113.1T112 K117 H118 S119T112-T115 PolarHBondContact N-OG1 3.49Å; T112-T115 PolarHBondContact O-N 2.9Å; T112-T115 PolarHBondContact O-OG1 2.74Å; T112-T115 VanDerWaalsContact O-OG1 3.1Å; T112-T115 WeakPolarHBondContact OG1-CB 3.4Å; T112-T115 VanDerWaalsContact OG1-CG2 3.32Å; T112-T115 WeakPolarHBondContact OG1-CG2 3.03Å; T112-T115 PolarHBondContact OG1-N 3.25Å; T112-T115 PolarHBondContact OG1-OG1 3.27Å; T115-K117 VanDerWaalsContact C-N 3.27Å; T115-K117 PolarHBondContact O-N 3.26Å; T115-H118 CarbonylContact O-C 3.55Å; T115-H118 VanDerWaalsContact O-C 3.24Å; T115-H118 PolarHBondContact O-N 2.76Å; T115-S119 WeakPolarHBondContact O-CB 3.37Å; T115-S119 PolarHBondContact O-N 3.05Å; T115-S119 VanDerWaalsContact O-N 3.09Å
116L74.1Confident79.3Confident8 Ų833.7 Ų33.74%0.04218%0.182CC..G310 helixtrans-55.2-40.8179.4-80.9-178.4000112.8L111 T112 H118 S119 Y154 V212L111-L116 HydrophobicContact CB-CD2 3.94Å; L111-L116 HydrophobicContact CD1-CD2 4.36Å; L111-L116 HydrophobicContact CD2-CD2 4.27Å; L111-L116 HydrophobicContact CG-CD2 4.42Å; T112-L116 WeakPolarHBondContact O-CG 3.18Å; T112-L116 PolarHBondContact O-N 2.97Å; L116-H118 PolarHBondContact O-N 3.35Å; L116-S119 PolarHBondContact O-N 3.48Å; L116-S119 PolarHBondContact O-OG 2.95Å; L116-Y154 HydrophobicContact CD1-CD1 3.45Å; L116-Y154 VanDerWaalsContact CD1-CD1 3.45Å; L116-Y154 HydrophobicContact CD1-CD2 4.44Å; L116-Y154 HydrophobicContact CD1-CE1 3.54Å; L116-Y154 HydrophobicContact CD1-CE2 4.49Å; L116-Y154 HydrophobicContact CD1-CG 3.96Å; L116-Y154 HydrophobicContact CG-CD1 4.46Å; L116-Y154 HydrophobicContact CG-CE1 4.11Å; L116-V212 HydrophobicContact CD2-CG2 4.19Å
117K74.9Confident79.7Confident80 Ų8031.2 Ų31.235%0.34817%0.169SC..G310 helixtrans-60.2-31.4178.9-64.4-171.9-179.7-1650112.9T115 E161T115-K117 VanDerWaalsContact C-N 3.27Å; T115-K117 PolarHBondContact O-N 3.26Å; K117-E161 VanDerWaalsContact CE-OE2 3.32Å; K117-E161 WeakPolarHBondContact CE-OE2 3.45Å; K117-E161 IonicContact NZ-OE1 3.35Å; K117-E161 PolarHBondContact NZ-OE1 3.37Å; K117-E161 IonicContact NZ-OE2 3.01Å; K117-E161 PolarHBondContact NZ-OE2 2.96Å
118H76.9Confident79.8Confident58 Ų5832.4 Ų32.427%0.26918%0.179SC..G310 helixtrans-116.634.8-177.8-61.7-72.6000111.1P24 G26 S27 T115 L116 I282P24-H118 HydrophobicContact CB-CB 4.18Å; P24-H118 WeakPolarHBondContact CB-CD2 3.48Å; P24-H118 WeakPolarHBondContact CB-NE2 3.13Å; G26-H118 VanDerWaalsContact CA-O 3.3Å; G26-H118 WeakPolarHBondContact CA-O 3.35Å; S27-H118 PolarHBondContact N-O 2.96Å; S27-H118 VanDerWaalsContact N-O 3.08Å; T115-H118 CarbonylContact O-C 3.55Å; T115-H118 VanDerWaalsContact O-C 3.24Å; T115-H118 PolarHBondContact O-N 2.76Å; L116-H118 PolarHBondContact O-N 3.35Å; H118-I282 HydrophobicContact CB-CG2 4.06Å; H118-I282 PolarHBondContact ND1-O 3.5Å
119S83.2Confident80.1Confident3 Ų333.9 Ų33.92%0.02118%0.179CC..EExtended strand (participates in β ladder)trans-105144.1-179.969.30000112S27 T115 L116 P213S27-S119 CarbonylContact O-C 3.58Å; S27-S119 WeakPolarHBondContact O-CA 3.41Å; T115-S119 WeakPolarHBondContact O-CB 3.37Å; T115-S119 PolarHBondContact O-N 3.05Å; T115-S119 VanDerWaalsContact O-N 3.09Å; L116-S119 PolarHBondContact O-N 3.48Å; L116-S119 PolarHBondContact O-OG 2.95Å; S119-P213 WeakPolarHBondContact O-CD 3.34Å; S119-P213 WeakPolarHBondContact O-CG 3.27Å
120V86.9Confident80.5Confident1 Ų129 Ų291%0.00615%0.154CC..EExtended strand (participates in β ladder)trans-133.1129.6172.5174.40000108.7S27 V28 L29 V122 P213 I215 R281 I282S27-V120 PolarHBondContact O-N 3.42Å; V28-V120 CarbonylContact C-O 3.52Å; V28-V120 WeakPolarHBondContact CA-O 3.47Å; L29-V120 PolarHBondContact N-O 2.9Å; V120-V122 HydrophobicContact CG1-CG2 4.23Å; V120-P213 HydrophobicContact CB-CG 4.43Å; V120-P213 HydrophobicContact CG2-CG 3.83Å; V120-I215 HydrophobicContact CG1-CD1 3.5Å; V120-I215 VanDerWaalsContact CG1-CD1 3.5Å; V120-I215 HydrophobicContact CG1-CG1 3.95Å; V120-R281 HydrophobicContact CG2-CB 3.85Å; V120-I282 HydrophobicContact CB-CD1 4.42Å; V120-I282 HydrophobicContact CB-CG1 4.4Å; V120-I282 HydrophobicContact CG2-CD1 3.97Å; V120-I282 HydrophobicContact CG2-CG1 3.46Å; V120-I282 VanDerWaalsContact CG2-CG1 3.46Å
121A88.4Confident80.7Confident1 Ų131.2 Ų31.21%0.00816%0.162CC..EExtended strand (participates in β ladder)trans-102124.2174.100000110.5L29 L144 V212 P213 L214 I215L29-A121 HydrophobicContact CB-CB 4.43Å; L29-A121 CarbonylContact O-C 3.57Å; L29-A121 WeakPolarHBondContact O-CA 3.43Å; A121-L144 HydrophobicContact CB-CD1 4.27Å; A121-V212 HydrophobicContact CB-CG1 4.01Å; A121-P213 PolarHBondContact N-O 2.6Å; A121-L214 HydrophobicContact CB-CD2 3.68Å; A121-L214 CarbonylContact O-C 3.57Å; A121-L214 WeakPolarHBondContact O-CA 3.32Å; A121-I215 PolarHBondContact O-N 2.83Å
122V89.6Confident81.1Confident3 Ų332.5 Ų32.52%0.01817%0.169CC..EExtended strand (participates in β ladder)trans-108.7118.6-179.6-178.10000108.4V28 L29 V30 L31 V120 I215 V217 I278V28-V122 HydrophobicContact CG1-CG2 3.8Å; L29-V122 PolarHBondContact O-N 2.99Å; V30-V122 CarbonylContact C-O 3.53Å; V30-V122 WeakPolarHBondContact CA-O 3.49Å; V30-V122 HydrophobicContact CG2-CB 4.29Å; L31-V122 PolarHBondContact N-O 2.56Å; V120-V122 HydrophobicContact CG1-CG2 4.23Å; V122-I215 CarbonylContact C-O 3.57Å; V122-I215 VanDerWaalsContact CA-O 3.27Å; V122-I215 WeakPolarHBondContact CA-O 3.37Å; V122-I215 HydrophobicContact CG2-CB 4.34Å; V122-I215 HydrophobicContact CG2-CD1 4.47Å; V122-V217 HydrophobicContact CG1-CB 4.17Å; V122-V217 HydrophobicContact CG1-CG2 3.49Å; V122-V217 VanDerWaalsContact CG1-CG2 3.49Å; V122-I278 HydrophobicContact CG2-CD1 4.21Å
123I89.8Confident81.5Confident0 Ų030.1 Ų30.10%015%0.154CC..EExtended strand (participates in β ladder)trans-99.9109.6175.6-56.5175.9000108.4L137 W140 L144 I215 V217I123-L137 HydrophobicContact CB-CD1 4.34Å; I123-L137 HydrophobicContact CD1-CD1 3.79Å; I123-L137 HydrophobicContact CG2-CD1 3.95Å; I123-W140 HydrophobicContact CD1-CB 4.29Å; I123-W140 HydrophobicContact CG2-CB 4.14Å; I123-W140 HydrophobicContact CG2-CG 4.35Å; I123-L144 HydrophobicContact CD1-CD1 4.28Å; I123-I215 PolarHBondContact N-O 2.98Å; I123-V217 PolarHBondContact O-N 2.88Å
124C89.7Confident82.1Confident0 Ų029.4 Ų29.40%015%0.146CC..EExtended strand (participates in β ladder)trans-88119.9175.9-65.50000111.2L31 G32 K38 V217 T219L31-C124 WeakPolarHBondContact O-CB 3.16Å; L31-C124 PolarHBondContact O-N 3.46Å; G32-C124 VanDerWaalsContact CA-O 3.22Å; G32-C124 WeakPolarHBondContact CA-O 3.35Å; K38-C124 HydrophobicContact CD-CB 4.4Å; K38-C124 HydrophobicContact CG-CB 3.7Å; C124-V217 WeakPolarHBondContact CA-O 3.46Å; C124-T219 HydrophobicContact CB-CG2 4.48Å
125C89Confident82.8Confident3 Ų326.8 Ų26.82%0.0213%0.134CC..EExtended strand (participates in β ladder)trans-117.3149.9172.6-67.70000109.4I133 V217 L218 T219C125-I133 HydrophobicContact CB-CB 4.44Å; C125-I133 HydrophobicContact CB-CG1 4.15Å; C125-I133 HydrophobicContact CB-CG2 3.86Å; C125-V217 PolarHBondContact N-O 2.64Å; C125-L218 HydrophobicContact CB-CD2 3.56Å; C125-L218 CarbonylContact O-C 3.59Å; C125-L218 WeakPolarHBondContact O-CA 3.2Å; C125-T219 PolarHBondContact O-N 3.42Å; C125-T219 PolarHBondContact O-OG1 3.23Å
126S87.3Confident83.3Confident19 Ų1926 Ų2613%0.13313%0.129CC..EExtended strand (participates in β ladder)trans-103.6124.2-175.4168.80000111.2A128 E129 K220S126-A128 PolarHBondContact O-N 2.76Å; S126-A128 WeakPolarHBondContact OG-CB 3.17Å; S126-A128 PolarHBondContact OG-N 3.13Å; S126-E129 PolarHBondContact O-N 2.89Å; S126-K220 PolarHBondContact OG-NZ 3.01Å
127M84.3Confident83.8Confident5 Ų526 Ų263%0.02513%0.129CC..THydrogen-bonded Turntrans-66.5-13.9174.1-169.157.4125.300112.8E129 P130 T219 I224 L227 F238 Y262M127-E129 PolarHBondContact O-N 3.39Å; M127-P130 WeakPolarHBondContact O-CD 3.45Å; M127-P130 HydrophobicContact SD-CB 4.36Å; M127-T219 VanDerWaalsContact CB-O 3.28Å; M127-T219 WeakPolarHBondContact CB-O 3.49Å; M127-T219 PolarHBondContact N-O 2.89Å; M127-I224 HydrophobicContact CE-CD1 3.86Å; M127-I224 HydrophobicContact CE-CG1 4.02Å; M127-I224 HydrophobicContact CG-CD1 4.42Å; M127-I224 HydrophobicContact CG-CG1 3.9Å; M127-L227 VanDerWaalsContact O-CD1 3.23Å; M127-L227 WeakPolarHBondContact O-CD1 2.86Å; M127-F238 HydrophobicContact CE-CD1 4.28Å; M127-Y262 HydrophobicContact CE-CE2 4.33Å
128A80.9Confident84.2Confident27 Ų2724.2 Ų24.222%0.22313%0.127CC..THydrogen-bonded Turntrans-64-25.1173.800000113.7S126 K220S126-A128 PolarHBondContact O-N 2.76Å; S126-A128 WeakPolarHBondContact OG-CB 3.17Å; S126-A128 PolarHBondContact OG-N 3.13Å; A128-K220 HydrophobicContact CB-CD 4.08Å
129E80.3Confident84.6Confident93 Ų9325.2 Ų25.244%0.43513%0.13SC..SBendtrans-132.370.6179.4-61.1-170.7170.500109.2S126 M127 W131 N132S126-E129 PolarHBondContact O-N 2.89Å; M127-E129 PolarHBondContact O-N 3.39Å; E129-W131 HydrophobicContact CB-CD2 4.46Å; E129-W131 HydrophobicContact CB-CH2 4.25Å; E129-W131 HydrophobicContact CB-CZ2 3.69Å; E129-W131 HydrophobicContact CG-CH2 4.14Å; E129-W131 HydrophobicContact CG-CZ2 3.59Å; E129-W131 PolarHBondContact O-N 3.3Å; E129-W131 VanDerWaalsContact O-N 3.16Å; E129-N132 HydrophobicContact CB-CB 4.39Å; E129-N132 PolarHBondContact O-N 2.96Å
130P78.7Confident84.7Confident8 Ų825.1 Ų25.15%0.05213%0.129CC..G310 helixtrans-62.3-27.6-172.325.2-33.2000112.8M127 N132 I133 I331M127-P130 WeakPolarHBondContact O-CD 3.45Å; M127-P130 HydrophobicContact SD-CB 4.36Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 2.96Å; P130-I133 HydrophobicContact CB-CD1 4.27Å; P130-I133 PolarHBondContact O-N 3.08Å; P130-I331 HydrophobicContact CG-CG2 4.46Å
131W79.6Confident84.5Confident48 Ų4825.2 Ų25.218%0.18213%0.13CC..G310 helixtrans-64.1-27.8176.555.780000113.6E129 I331 K333 P334E129-W131 HydrophobicContact CB-CD2 4.46Å; E129-W131 HydrophobicContact CB-CH2 4.25Å; E129-W131 HydrophobicContact CB-CZ2 3.69Å; E129-W131 HydrophobicContact CG-CH2 4.14Å; E129-W131 HydrophobicContact CG-CZ2 3.59Å; E129-W131 PolarHBondContact O-N 3.3Å; E129-W131 VanDerWaalsContact O-N 3.16Å; W131-I331 HydrophobicContact CB-CG2 4.13Å; W131-I331 HydrophobicContact CE3-CG2 4.11Å; W131-K333 HydrophobicContact CB-CG 4.44Å; W131-K333 HydrophobicContact CG-CG 4.13Å; W131-P334 HydrophobicContact CE3-CG 4.28Å; W131-P334 HydrophobicContact CH2-CG 3.21Å; W131-P334 HydrophobicContact CZ2-CG 3.71Å; W131-P334 VanDerWaalsContact CZ3-CD 3.45Å; W131-P334 HydrophobicContact CZ3-CG 3.52Å
132N82.7Confident84.3Confident33 Ų3330.5 Ų30.518%0.17615%0.153CC..G310 helixtrans-91.8-9.1-177.5-166.923.6000112.4D33 E129 P130 M134 E135 T136D33-N132 PolarHBondContact OD2-ND2 3.4Å; E129-N132 HydrophobicContact CB-CB 4.39Å; E129-N132 PolarHBondContact O-N 2.96Å; P130-N132 VanDerWaalsContact C-N 3.27Å; P130-N132 PolarHBondContact O-N 2.96Å; N132-M134 VanDerWaalsContact C-N 3.29Å; N132-M134 PolarHBondContact O-N 2.89Å; N132-E135 PolarHBondContact O-N 3.08Å; N132-T136 PolarHBondContact ND2-OG1 3.48Å; N132-T136 WeakPolarHBondContact O-CB 3.32Å; N132-T136 PolarHBondContact O-N 3.01Å; N132-T136 PolarHBondContact O-OG1 3.25Å
133I83.5Confident84Confident2 Ų231 Ų311%0.0116%0.156CC..Hα-helixtrans-59-42.1-176-65.2178000111.1C125 P130 T136 L137 L218 M245C125-I133 HydrophobicContact CB-CB 4.44Å; C125-I133 HydrophobicContact CB-CG1 4.15Å; C125-I133 HydrophobicContact CB-CG2 3.86Å; P130-I133 HydrophobicContact CB-CD1 4.27Å; P130-I133 PolarHBondContact O-N 3.08Å; I133-T136 PolarHBondContact O-N 3.29Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.43Å; I133-L137 PolarHBondContact O-N 2.94Å; I133-L218 HydrophobicContact CD1-CD1 4.31Å; I133-L218 HydrophobicContact CD1-CD2 4.05Å; I133-L218 HydrophobicContact CG2-CD2 4.14Å; I133-M245 HydrophobicContact CB-CE 4.44Å; I133-M245 HydrophobicContact CG2-CE 3.69Å; I133-M245 HydrophobicContact CG2-SD 3.6Å; I133-M245 VanDerWaalsContact CG2-SD 3.6Å
134M81.1Confident83.6Confident46 Ų4631.2 Ų31.223%0.22716%0.157CC..Hα-helixtrans-66.2-47.5179.5-178.3-176.8-63.800112.3N132 T136 L137 S138 H244 L248 F327N132-M134 VanDerWaalsContact C-N 3.29Å; N132-M134 PolarHBondContact O-N 2.89Å; M134-T136 VanDerWaalsContact C-N 3.3Å; M134-T136 PolarHBondContact O-N 3.18Å; M134-L137 PolarHBondContact O-N 3.5Å; M134-S138 WeakPolarHBondContact O-CB 3.23Å; M134-S138 PolarHBondContact O-N 3.26Å; M134-H244 WeakPolarHBondContact CE-NE2 3.45Å; M134-L248 HydrophobicContact CE-CD2 4.5Å; M134-F327 HydrophobicContact CE-CB 4.03Å; M134-F327 HydrophobicContact CE-CD1 3.93Å; M134-F327 HydrophobicContact CE-CD2 3.26Å; M134-F327 HydrophobicContact CE-CE1 4.3Å; M134-F327 HydrophobicContact CE-CE2 3.77Å; M134-F327 HydrophobicContact CE-CG 3.4Å; M134-F327 VanDerWaalsContact CE-CG 3.4Å; M134-F327 HydrophobicContact CE-CZ 4.25Å
135E83.7Confident83Confident98 Ų9832.6 Ų32.646%0.45817%0.169SC..Hα-helixtrans-61.6-43.3177.8-66.6-177.9-154.400110.3N132 S138 K139 K333N132-E135 PolarHBondContact O-N 3.08Å; E135-S138 PolarHBondContact O-N 2.96Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.44Å; E135-K139 PolarHBondContact O-N 2.99Å; E135-K333 IonicContact OE1-NZ 2.87Å; E135-K333 PolarHBondContact OE1-NZ 3.05Å
136T84.9Confident82.6Confident9 Ų938.1 Ų38.16%0.05519%0.194CC..Hα-helixtrans-62.7-48.8178.2-60.90000111.4D33 N132 I133 M134 S138 K139 W140D33-T136 HydrophobicContact CB-CG2 4.07Å; N132-T136 PolarHBondContact ND2-OG1 3.48Å; N132-T136 WeakPolarHBondContact O-CB 3.32Å; N132-T136 PolarHBondContact O-N 3.01Å; N132-T136 PolarHBondContact O-OG1 3.25Å; I133-T136 PolarHBondContact O-N 3.29Å; M134-T136 VanDerWaalsContact C-N 3.3Å; M134-T136 PolarHBondContact O-N 3.18Å; T136-S138 PolarHBondContact O-N 3.46Å; T136-K139 PolarHBondContact O-N 3.42Å; T136-W140 VanDerWaalsContact CG2-CD1 3.44Å; T136-W140 PolarHBondContact O-N 3.24Å
137L84.8Confident82.1Confident9 Ų938.3 Ų38.35%0.04719%0.193CC..Hα-helixtrans-61.1-46.3178.2-175.766.3000111.1I123 I133 M134 K139 W140 A141 V216 L248 T255I123-L137 HydrophobicContact CB-CD1 4.34Å; I123-L137 HydrophobicContact CD1-CD1 3.79Å; I123-L137 HydrophobicContact CG2-CD1 3.95Å; I133-L137 VanDerWaalsContact O-CB 3.28Å; I133-L137 WeakPolarHBondContact O-CB 3.43Å; I133-L137 PolarHBondContact O-N 2.94Å; M134-L137 PolarHBondContact O-N 3.5Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.86Å; L137-W140 PolarHBondContact O-N 3.42Å; L137-A141 WeakPolarHBondContact O-CB 3.3Å; L137-A141 PolarHBondContact O-N 2.78Å; L137-V216 HydrophobicContact CD1-CG1 4.49Å; L137-V216 HydrophobicContact CD1-CG2 3.87Å; L137-L248 HydrophobicContact CD2-CB 4.36Å; L137-L248 HydrophobicContact CD2-CD1 3.85Å; L137-T255 HydrophobicContact CD1-CG2 4.22Å; L137-T255 HydrophobicContact CG-CG2 4.42Å
138S83.9Confident81.6Confident42 Ų4239.3 Ų39.329%0.29420%0.198SC..Hα-helixtrans-62.1-41.6177.2-173.10000111.9M134 E135 T136 K142M134-S138 WeakPolarHBondContact O-CB 3.23Å; M134-S138 PolarHBondContact O-N 3.26Å; E135-S138 PolarHBondContact O-N 2.96Å; T136-S138 PolarHBondContact O-N 3.46Å; S138-K142 WeakPolarHBondContact O-CB 3.48Å; S138-K142 VanDerWaalsContact O-CG 3.27Å; S138-K142 WeakPolarHBondContact O-CG 3.32Å; S138-K142 PolarHBondContact O-N 3.34Å
139K85.2Confident81.1Confident79 Ų7942.2 Ų42.234%0.34322%0.217SC..Hα-helixtrans-60.3-51.9175.9-178.5-171.9172.8-165.40110.9G99 E135 T136 L137 K142 V143G99-K139 PolarHBondContact O-NZ 2.85Å; E135-K139 VanDerWaalsContact O-CB 3.27Å; E135-K139 WeakPolarHBondContact O-CB 3.44Å; E135-K139 PolarHBondContact O-N 2.99Å; T136-K139 PolarHBondContact O-N 3.42Å; L137-K139 VanDerWaalsContact C-N 3.34Å; L137-K139 PolarHBondContact O-N 2.86Å; K139-K142 PolarHBondContact O-N 2.97Å; K139-V143 WeakPolarHBondContact O-CB 3.05Å; K139-V143 VanDerWaalsContact O-CG2 3.24Å; K139-V143 WeakPolarHBondContact O-CG2 3.45Å; K139-V143 PolarHBondContact O-N 3.33Å
140W85Confident80.5Confident1 Ų142.5 Ų42.50%0.00423%0.23CC..Hα-helixtrans-68.1-36.4-178.8-68.7116.1000113.1L31 G32 L97 I123 T136 L137 V143 L144L31-W140 HydrophobicContact CB-CD2 4.04Å; L31-W140 HydrophobicContact CB-CE3 3.93Å; L31-W140 HydrophobicContact CB-CG 4.32Å; L31-W140 HydrophobicContact CD1-CB 4.49Å; L31-W140 HydrophobicContact CD1-CE3 4.11Å; L31-W140 HydrophobicContact CD2-CE3 4.14Å; L31-W140 HydrophobicContact CD2-CZ3 4.19Å; L31-W140 HydrophobicContact CG-CE3 4.3Å; G32-W140 VanDerWaalsContact C-CZ2 3.45Å; G32-W140 WeakPolarHBondContact O-CZ2 3.32Å; L97-W140 HydrophobicContact CD2-CZ3 4.06Å; I123-W140 HydrophobicContact CD1-CB 4.29Å; I123-W140 HydrophobicContact CG2-CB 4.14Å; I123-W140 HydrophobicContact CG2-CG 4.35Å; T136-W140 VanDerWaalsContact CG2-CD1 3.44Å; T136-W140 PolarHBondContact O-N 3.24Å; L137-W140 PolarHBondContact O-N 3.42Å; W140-V143 HydrophobicContact CE3-CB 4.5Å; W140-V143 HydrophobicContact CE3-CG1 4.37Å; W140-V143 HydrophobicContact CZ3-CG1 4.5Å; W140-V143 PolarHBondContact O-N 2.88Å; W140-L144 WeakPolarHBondContact O-CB 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.48Å; W140-L144 PolarHBondContact O-N 3.4Å
141A82.4Confident79.5Confident3 Ų343.2 Ų43.23%0.02524%0.235CC..Hα-helixtrans-63.6-42.1174.700000111.6L137 L144 A145 H254 T255L137-A141 WeakPolarHBondContact O-CB 3.3Å; L137-A141 PolarHBondContact O-N 2.78Å; A141-L144 PolarHBondContact O-N 3.17Å; A141-A145 WeakPolarHBondContact O-CB 3.3Å; A141-A145 PolarHBondContact O-N 3.27Å; A141-H254 HydrophobicContact CB-CB 3.9Å; A141-T255 HydrophobicContact CB-CG2 4.49Å
142K83.1Confident78.2Confident112 Ų11245.4 Ų45.449%0.48726%0.263SS..Hα-helixtrans-64.2-46.9173.8-75.4173.6-178175.20112S138 K139 L144 A145 E146S138-K142 WeakPolarHBondContact O-CB 3.48Å; S138-K142 VanDerWaalsContact O-CG 3.27Å; S138-K142 WeakPolarHBondContact O-CG 3.32Å; S138-K142 PolarHBondContact O-N 3.34Å; K139-K142 PolarHBondContact O-N 2.97Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3Å; K142-A145 PolarHBondContact O-N 3.22Å; K142-E146 WeakPolarHBondContact O-CB 3.4Å; K142-E146 WeakPolarHBondContact O-CG 3.27Å; K142-E146 PolarHBondContact O-N 2.9Å
143V83.9Confident76.7Confident14 Ų1452.1 Ų52.19%0.08530%0.296CS..Hα-helixtrans-56.9-48.8176.7168.80000110I107 K139 W140 A145 E146 H147I107-V143 HydrophobicContact CD1-CG1 4.08Å; K139-V143 WeakPolarHBondContact O-CB 3.05Å; K139-V143 VanDerWaalsContact O-CG2 3.24Å; K139-V143 WeakPolarHBondContact O-CG2 3.45Å; K139-V143 PolarHBondContact O-N 3.33Å; W140-V143 HydrophobicContact CE3-CB 4.5Å; W140-V143 HydrophobicContact CE3-CG1 4.37Å; W140-V143 HydrophobicContact CZ3-CG1 4.5Å; W140-V143 PolarHBondContact O-N 2.88Å; V143-A145 PolarHBondContact O-N 3.45Å; V143-E146 PolarHBondContact O-N 3.31Å; V143-H147 VanDerWaalsContact CG1-NE2 3.33Å; V143-H147 WeakPolarHBondContact CG1-NE2 3.32Å; V143-H147 PolarHBondContact O-CD2 2.84Å; V143-H147 PolarHBondContact O-N 3.08Å; V143-H147 PolarHBondContact O-NE2 2.75Å
144L80.9Confident75.6Confident4 Ų453 Ų532%0.02130%0.299CS..Hα-helixtrans-58.2-47.1175-79.8174.5000112.9L29 L31 A121 I123 W140 A141 K142 H147 L148 L214L29-L144 HydrophobicContact CD2-CD2 3.81Å; L31-L144 HydrophobicContact CD1-CD1 3.63Å; L31-L144 HydrophobicContact CD1-CD2 3.59Å; L31-L144 HydrophobicContact CD1-CG 3.45Å; L31-L144 VanDerWaalsContact CD1-CG 3.45Å; A121-L144 HydrophobicContact CB-CD1 4.27Å; I123-L144 HydrophobicContact CD1-CD1 4.28Å; W140-L144 WeakPolarHBondContact O-CB 3.26Å; W140-L144 WeakPolarHBondContact O-CG 3.48Å; W140-L144 PolarHBondContact O-N 3.4Å; A141-L144 PolarHBondContact O-N 3.17Å; K142-L144 VanDerWaalsContact C-N 3.34Å; K142-L144 PolarHBondContact O-N 3Å; L144-H147 PolarHBondContact O-N 2.92Å; L144-L148 WeakPolarHBondContact O-CD1 3.45Å; L144-L148 WeakPolarHBondContact O-CG 3.2Å; L144-L148 PolarHBondContact O-N 3.42Å; L144-L214 HydrophobicContact CD1-CD2 3.88Å
145A78.8Confident74.6Confident30 Ų3055.4 Ų55.425%0.24831%0.313CS..Hα-helixtrans-65-39.7179.300000112.4A141 K142 V143 L148 S149 I210A141-A145 WeakPolarHBondContact O-CB 3.3Å; A141-A145 PolarHBondContact O-N 3.27Å; K142-A145 PolarHBondContact O-N 3.22Å; V143-A145 PolarHBondContact O-N 3.45Å; A145-L148 PolarHBondContact O-N 2.95Å; A145-S149 VanDerWaalsContact O-CB 3.31Å; A145-S149 WeakPolarHBondContact O-CB 3.43Å; A145-S149 PolarHBondContact O-N 3Å; A145-S149 PolarHBondContact O-OG 3.41Å; A145-I210 HydrophobicContact CB-CD1 4.47Å
146E80.6Confident73.8Confident118 Ų11856.8 Ų56.855%0.55132%0.323SS*.Hα-helixtrans-63.6-40.2173.2-76.5177.2-168.600110.9K142 V143 S149 S150K142-E146 WeakPolarHBondContact O-CB 3.4Å; K142-E146 WeakPolarHBondContact O-CG 3.27Å; K142-E146 PolarHBondContact O-N 2.9Å; V143-E146 PolarHBondContact O-N 3.31Å; E146-S149 WeakPolarHBondContact CA-OG 3.41Å; E146-S149 PolarHBondContact O-OG 3.06Å; E146-S149 VanDerWaalsContact O-OG 3.13Å; E146-S150 WeakPolarHBondContact O-CA 3.16Å; E146-S150 WeakPolarHBondContact O-CB 3.2Å; E146-S150 PolarHBondContact O-N 2.94Å
147H75.7Confident73Confident24 Ų2462 Ų6211%0.11135%0.351CS..Hα-helixtrans-66.7-41.9175.6-72.6-41.4000113.4S104 I107 V143 L144 S149 S151S104-H147 WeakPolarHBondContact CA-CE1 3.46Å; S104-H147 WeakPolarHBondContact CA-NE2 3.41Å; S104-H147 WeakPolarHBondContact CB-CE1 3.33Å; S104-H147 VanDerWaalsContact CB-NE2 3.31Å; S104-H147 WeakPolarHBondContact CB-NE2 3.42Å; S104-H147 PolarHBondContact O-CE1 2.87Å; S104-H147 PolarHBondContact O-ND1 3.3Å; S104-H147 PolarHBondContact O-NE2 2.79Å; S104-H147 PolarHBondContact OG-CE1 2.94Å; I107-H147 WeakPolarHBondContact CD1-CD2 3.47Å; I107-H147 HydrophobicContact CG2-CB 4.17Å; V143-H147 VanDerWaalsContact CG1-NE2 3.33Å; V143-H147 WeakPolarHBondContact CG1-NE2 3.32Å; V143-H147 PolarHBondContact O-CD2 2.84Å; V143-H147 PolarHBondContact O-N 3.08Å; V143-H147 PolarHBondContact O-NE2 2.75Å; L144-H147 PolarHBondContact O-N 2.92Å; H147-S149 VanDerWaalsContact C-N 3.34Å; H147-S151 WeakPolarHBondContact O-CB 3.46Å; H147-S151 PolarHBondContact O-N 2.84Å
148L73.3Confident72.4Confident25 Ų2563.1 Ų63.113%0.13136%0.358CS..Hα-helixtrans-73.2-30.1-178.7-72.6159.3000112.3L144 A145 Y154 I210 V212L144-L148 WeakPolarHBondContact O-CD1 3.45Å; L144-L148 WeakPolarHBondContact O-CG 3.2Å; L144-L148 PolarHBondContact O-N 3.42Å; A145-L148 PolarHBondContact O-N 2.95Å; L148-Y154 HydrophobicContact CD2-CE2 4.35Å; L148-I210 HydrophobicContact CD1-CB 4.33Å; L148-I210 HydrophobicContact CD1-CG2 3.04Å; L148-I210 WeakPolarHBondContact CD1-O 3.35Å; L148-V212 HydrophobicContact CD1-CG2 4.48Å
149S71.8Confident71.9Confident89 Ų8962.8 Ų62.862%0.62235%0.353SS*.Hα-helixtrans-80.1-37.4172.660.50000113.4A145 E146 H147A145-S149 VanDerWaalsContact O-CB 3.31Å; A145-S149 WeakPolarHBondContact O-CB 3.43Å; A145-S149 PolarHBondContact O-N 3Å; A145-S149 PolarHBondContact O-OG 3.41Å; E146-S149 WeakPolarHBondContact CA-OG 3.41Å; E146-S149 PolarHBondContact O-OG 3.06Å; E146-S149 VanDerWaalsContact O-OG 3.13Å; H147-S149 VanDerWaalsContact C-N 3.34Å
150S67.4Low71.4Confident99 Ų9961.8 Ų61.869%0.69236%0.355SS*.Hα-helixtrans-78.9-27.8-179.8-175.20000112.8E146 A152E146-S150 WeakPolarHBondContact O-CA 3.16Å; E146-S150 WeakPolarHBondContact O-CB 3.2Å; E146-S150 PolarHBondContact O-N 2.94Å; S150-A152 PolarHBondContact O-N 2.83Å
151S57.7Low71.1Confident23 Ų2365.6 Ų65.616%0.16137%0.373CS..  trans-80.869.1175-172.30000109.5H147 M153 Y154H147-S151 WeakPolarHBondContact O-CB 3.46Å; H147-S151 PolarHBondContact O-N 2.84Å; S151-M153 PolarHBondContact O-N 2.78Å; S151-Y154 WeakPolarHBondContact O-CD2 3.45Å; S151-Y154 PolarHBondContact O-N 2.83Å; S151-Y154 WeakPolarHBondContact OG-CE2 3.24Å
152A51.9Low70.5Confident94 Ų9465.8 Ų65.878%0.77738%0.375SS*.THydrogen-bonded Turntrans-6922.7170.600000113.4S150S150-A152 PolarHBondContact O-N 2.83Å
153M50.8Low70.2Confident174 Ų17464.1 Ų64.186%0.85737%0.367SS*.THydrogen-bonded Turntrans-87.4-8.8167.7-69.4-135.1146.300112.6S151S151-M153 PolarHBondContact O-N 2.78Å
154Y60.3Low69.8Low19 Ų1967.8 Ų67.88%0.07538%0.383CS..SBendtrans-86.3129.3174.3-55.5-60.7000110.1L111 P113 L116 L148 S151 N156 I159L111-Y154 PolarHBondContact O-OH 3.04Å; P113-Y154 HydrophobicContact CB-CD1 4Å; P113-Y154 HydrophobicContact CB-CE1 4.42Å; L116-Y154 HydrophobicContact CD1-CD1 3.45Å; L116-Y154 VanDerWaalsContact CD1-CD1 3.45Å; L116-Y154 HydrophobicContact CD1-CD2 4.44Å; L116-Y154 HydrophobicContact CD1-CE1 3.54Å; L116-Y154 HydrophobicContact CD1-CE2 4.49Å; L116-Y154 HydrophobicContact CD1-CG 3.96Å; L116-Y154 HydrophobicContact CG-CD1 4.46Å; L116-Y154 HydrophobicContact CG-CE1 4.11Å; L148-Y154 HydrophobicContact CD2-CE2 4.35Å; S151-Y154 WeakPolarHBondContact O-CD2 3.45Å; S151-Y154 PolarHBondContact O-N 2.83Å; S151-Y154 WeakPolarHBondContact OG-CE2 3.24Å; Y154-N156 PolarHBondContact O-N 2.96Å; Y154-I159 HydrophobicContact CD2-CD1 4.33Å; Y154-I159 HydrophobicContact CG-CD1 4.34Å
155D60.9Low69.4Low97 Ų9771.1 Ų71.152%0.51940%0.399SS..  trans-61.7135.1168.5-153-13000108.9D157 V158 I159D155-D157 PolarHBondContact O-N 3.17Å; D155-D157 VanDerWaalsContact O-N 3.12Å; D155-V158 HydrophobicContact CB-CG2 4.2Å; D155-V158 PolarHBondContact O-N 2.57Å; D155-I159 PolarHBondContact O-N 2.95Å
156N65.9Low69.2Low128 Ų12871 Ų7168%0.68439%0.394SS*.Hα-helixtrans-59.1-28.2-179.4-78.3-79.1000110.9Y154 I159 S160Y154-N156 PolarHBondContact O-N 2.96Å; N156-I159 PolarHBondContact O-N 3.4Å; N156-S160 WeakPolarHBondContact O-CB 3.21Å; N156-S160 PolarHBondContact O-N 3.19Å
157D69.6Low68.8Low119 Ų11966.8 Ų66.864%0.63638%0.376SS*.Hα-helixtrans-62.5-43.5177.1-68.4-8.9000111.9D155 S160 E161D155-D157 PolarHBondContact O-N 3.17Å; D155-D157 VanDerWaalsContact O-N 3.12Å; D157-S160 PolarHBondContact O-N 3.1Å; D157-E161 WeakPolarHBondContact O-CB 3.24Å; D157-E161 PolarHBondContact O-N 3.09Å
158V72.4Confident68.5Low32 Ų3271.8 Ų71.819%0.19439%0.394CS..Hα-helixtrans-67.4-41.6179.5179.20000110.6D155 S160 E161 C162D155-V158 HydrophobicContact CB-CG2 4.2Å; D155-V158 PolarHBondContact O-N 2.57Å; V158-S160 VanDerWaalsContact C-N 3.34Å; V158-E161 PolarHBondContact O-N 2.87Å; V158-C162 WeakPolarHBondContact O-CB 3.36Å; V158-C162 PolarHBondContact O-N 3.37Å; V158-C162 PolarHBondContact O-SG 3.31Å
159I71.4Confident68.3Low35 Ų3573.3 Ų73.318%0.17940%0.4CS..Hα-helixtrans-65.2-41.1176.9-67.8172.5000110.4Y154 D155 N156 C162 K163Y154-I159 HydrophobicContact CD2-CD1 4.33Å; Y154-I159 HydrophobicContact CG-CD1 4.34Å; D155-I159 PolarHBondContact O-N 2.95Å; N156-I159 PolarHBondContact O-N 3.4Å; I159-C162 PolarHBondContact O-N 3.39Å; I159-K163 HydrophobicContact CG2-CD 4.03Å; I159-K163 VanDerWaalsContact CG2-CE 3.47Å; I159-K163 HydrophobicContact CG2-CG 4.38Å; I159-K163 WeakPolarHBondContact O-CB 3.48Å; I159-K163 WeakPolarHBondContact O-CG 2.91Å; I159-K163 PolarHBondContact O-N 3.13Å
160S74.9Confident68.1Low58 Ų5871.6 Ų71.641%0.40638%0.379SS..Hα-helixtrans-63.8-43.8177.6-1650000111.4N156 D157 V158 K163 E164N156-S160 WeakPolarHBondContact O-CB 3.21Å; N156-S160 PolarHBondContact O-N 3.19Å; D157-S160 PolarHBondContact O-N 3.1Å; V158-S160 VanDerWaalsContact C-N 3.34Å; S160-K163 WeakPolarHBondContact O-CB 3.2Å; S160-K163 PolarHBondContact O-N 3.21Å; S160-E164 PolarHBondContact O-N 3.2Å
161E78.6Confident67.8Low80 Ų8069.6 Ų69.637%0.37436%0.359SS..Hα-helixtrans-62.5-45.3176.6-165.6-169.9157.300111.5K117 D157 V158 K163 E164 Q165K117-E161 VanDerWaalsContact CE-OE2 3.32Å; K117-E161 WeakPolarHBondContact CE-OE2 3.45Å; K117-E161 IonicContact NZ-OE1 3.35Å; K117-E161 PolarHBondContact NZ-OE1 3.37Å; K117-E161 IonicContact NZ-OE2 3.01Å; K117-E161 PolarHBondContact NZ-OE2 2.96Å; D157-E161 WeakPolarHBondContact O-CB 3.24Å; D157-E161 PolarHBondContact O-N 3.09Å; V158-E161 PolarHBondContact O-N 2.87Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.24Å; E161-E164 PolarHBondContact O-N 2.79Å; E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.36Å; E161-Q165 PolarHBondContact O-N 3.26Å; E161-Q165 PolarHBondContact OE1-NE2 2.86Å
162C71.5Confident67.8Low8 Ų873.7 Ų73.75%0.05438%0.376CS..Hα-helixtrans-62.1-39.4176-68.80000112.1V158 I159 Q165 L166V158-C162 WeakPolarHBondContact O-CB 3.36Å; V158-C162 PolarHBondContact O-N 3.37Å; V158-C162 PolarHBondContact O-SG 3.31Å; I159-C162 PolarHBondContact O-N 3.39Å; C162-Q165 PolarHBondContact O-N 2.79Å; C162-L166 WeakPolarHBondContact O-CB 3.18Å; C162-L166 PolarHBondContact O-N 2.87Å
163K75.2Confident68.2Low76 Ų7671.1 Ų71.133%0.3335%0.346SS..Hα-helixtrans-62.8-45.9174.4-75.4174.7179.4-172.20111.4I159 S160 E161 L166 V167 N209I159-K163 HydrophobicContact CG2-CD 4.03Å; I159-K163 VanDerWaalsContact CG2-CE 3.47Å; I159-K163 HydrophobicContact CG2-CG 4.38Å; I159-K163 WeakPolarHBondContact O-CB 3.48Å; I159-K163 WeakPolarHBondContact O-CG 2.91Å; I159-K163 PolarHBondContact O-N 3.13Å; S160-K163 WeakPolarHBondContact O-CB 3.2Å; S160-K163 PolarHBondContact O-N 3.21Å; E161-K163 VanDerWaalsContact C-N 3.32Å; E161-K163 PolarHBondContact O-N 3.24Å; K163-L166 PolarHBondContact O-N 3.16Å; K163-V167 VanDerWaalsContact O-CG2 3.24Å; K163-V167 WeakPolarHBondContact O-CG2 3.24Å; K163-V167 PolarHBondContact O-N 2.81Å; K163-N209 HydrophobicContact CD-CB 4.15Å; K163-N209 WeakPolarHBondContact CE-O 3.37Å; K163-N209 HydrophobicContact CG-CB 3.86Å
164E75.7Confident68.2Low92 Ų9268.6 Ų68.643%0.4334%0.34SS..Hα-helixtrans-63-42176.7-78.1-173.2-159.300111.9S160 E161 L166 V167 R168S160-E164 PolarHBondContact O-N 3.2Å; E161-E164 PolarHBondContact O-N 2.79Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.11Å; E164-V167 PolarHBondContact O-N 2.87Å; E164-R168 WeakPolarHBondContact O-CB 3.35Å; E164-R168 VanDerWaalsContact O-CG 3.27Å; E164-R168 WeakPolarHBondContact O-CG 3.17Å; E164-R168 PolarHBondContact O-N 2.9Å; E164-R168 IonicContact OE2-CZ 3.58Å; E164-R168 IonicContact OE2-NH2 2.67Å; E164-R168 PolarHBondContact OE2-NH2 3.07Å
165Q74.1Confident67.7Low74 Ų7471.1 Ų71.135%0.34635%0.353SS..Hα-helixtrans-60.7-43.1176.2-74176.65.400111.4E161 C162 R168 F169E161-Q165 VanDerWaalsContact O-CG 3.31Å; E161-Q165 WeakPolarHBondContact O-CG 3.36Å; E161-Q165 PolarHBondContact O-N 3.26Å; E161-Q165 PolarHBondContact OE1-NE2 2.86Å; C162-Q165 PolarHBondContact O-N 2.79Å; Q165-R168 PolarHBondContact O-N 2.74Å; Q165-F169 VanDerWaalsContact O-CB 3.3Å; Q165-F169 WeakPolarHBondContact O-CB 3.34Å; Q165-F169 PolarHBondContact O-N 3.05Å
166L73.8Confident67.2Low27 Ų2768.5 Ų68.514%0.14134%0.341CS..Hα-helixtrans-64.1-41.9176.5-173.464.6000111.7C162 K163 E164 F169 W170 L206 P213C162-L166 WeakPolarHBondContact O-CB 3.18Å; C162-L166 PolarHBondContact O-N 2.87Å; K163-L166 PolarHBondContact O-N 3.16Å; E164-L166 VanDerWaalsContact C-N 3.32Å; E164-L166 PolarHBondContact O-N 3.11Å; L166-F169 PolarHBondContact O-N 3.17Å; L166-W170 WeakPolarHBondContact O-CB 3.26Å; L166-W170 PolarHBondContact O-N 3.36Å; L166-L206 HydrophobicContact CD2-CD2 4.41Å; L166-P213 HydrophobicContact CD1-CB 4.02Å
167V72.2Confident66.4Low29 Ų2966 Ų6618%0.17633%0.327CS..Hα-helixtrans-64.2-46.4176.2170.90000111K163 E164 F169 W170 Q171 L201 L206K163-V167 VanDerWaalsContact O-CG2 3.24Å; K163-V167 WeakPolarHBondContact O-CG2 3.24Å; K163-V167 PolarHBondContact O-N 2.81Å; E164-V167 PolarHBondContact O-N 2.87Å; V167-F169 PolarHBondContact O-N 2.7Å; V167-W170 PolarHBondContact O-N 3.15Å; V167-Q171 HydrophobicContact CG1-CG 4.39Å; V167-Q171 VanDerWaalsContact O-CG 3.32Å; V167-Q171 WeakPolarHBondContact O-CG 3.37Å; V167-Q171 PolarHBondContact O-N 2.8Å; V167-L201 HydrophobicContact CG1-CD1 3.93Å; V167-L206 HydrophobicContact CB-CD1 4.4Å; V167-L206 HydrophobicContact CG2-CD1 3.74Å
168R70.4Confident64.7Low130 Ų13066.4 Ų66.449%0.49133%0.33SS..Hα-helixtrans-60.3-46.3176.5-73.8178.7-161.2-173.49.1110.8E164 Q165 W170 Q171 E172E164-R168 WeakPolarHBondContact O-CB 3.35Å; E164-R168 VanDerWaalsContact O-CG 3.27Å; E164-R168 WeakPolarHBondContact O-CG 3.17Å; E164-R168 PolarHBondContact O-N 2.9Å; E164-R168 IonicContact OE2-CZ 3.58Å; E164-R168 IonicContact OE2-NH2 2.67Å; E164-R168 PolarHBondContact OE2-NH2 3.07Å; Q165-R168 PolarHBondContact O-N 2.74Å; R168-W170 PolarHBondContact O-N 2.54Å; R168-Q171 CarbonylContact O-C 3.53Å; R168-Q171 PolarHBondContact O-N 2.88Å; R168-Q171 VanDerWaalsContact O-N 3.13Å; R168-E172 VanDerWaalsContact O-CB 3.27Å; R168-E172 WeakPolarHBondContact O-CB 3.44Å; R168-E172 VanDerWaalsContact O-CG 3.29Å; R168-E172 WeakPolarHBondContact O-CG 3.42Å; R168-E172 PolarHBondContact O-N 2.82Å
169F68.4Low62.8Low56 Ų5670.2 Ų70.225%0.24636%0.357CS..Hα-helixtrans-58.8-39.6176.7-166.5-77000111.9Q165 L166 V167 Y173 H280 R281Q165-F169 VanDerWaalsContact O-CB 3.3Å; Q165-F169 WeakPolarHBondContact O-CB 3.34Å; Q165-F169 PolarHBondContact O-N 3.05Å; L166-F169 PolarHBondContact O-N 3.17Å; V167-F169 PolarHBondContact O-N 2.7Å; F169-Y173 PolarHBondContact O-N 2.78Å; F169-Y173 VanDerWaalsContact O-N 3.07Å; F169-H280 AromaticContact CZ-CE1 3.34Å; F169-H280 WeakPolarHBondContact CZ-CE1 3.34Å; F169-H280 AromaticContact CZ-ND1 3.86Å; F169-R281 VanDerWaalsContact CE1-NH2 3.33Å
170W67.3Low61.2Low53 Ų5374 Ų7420%0.20139%0.387CS..Hα-helixtrans-70.3-37.2177.8-164.769000112.3L166 V167 R168 Y173 L201 I205 L206L166-W170 WeakPolarHBondContact O-CB 3.26Å; L166-W170 PolarHBondContact O-N 3.36Å; V167-W170 PolarHBondContact O-N 3.15Å; R168-W170 PolarHBondContact O-N 2.54Å; W170-Y173 WeakPolarHBondContact O-CB 3.16Å; W170-Y173 PolarHBondContact O-N 2.85Å; W170-L201 HydrophobicContact CD2-CD2 4.28Å; W170-L201 HydrophobicContact CE3-CD2 3.15Å; W170-L201 HydrophobicContact CE3-CG 3.7Å; W170-L201 HydrophobicContact CH2-CD2 4.34Å; W170-L201 HydrophobicContact CZ3-CB 3.87Å; W170-L201 HydrophobicContact CZ3-CD2 3.2Å; W170-L201 HydrophobicContact CZ3-CG 3.43Å; W170-L201 VanDerWaalsContact CZ3-CG 3.43Å; W170-I205 HydrophobicContact CD2-CG2 4.38Å; W170-I205 HydrophobicContact CE3-CG2 4.41Å; W170-I205 HydrophobicContact CH2-CB 3.83Å; W170-I205 HydrophobicContact CH2-CD1 3.29Å; W170-I205 HydrophobicContact CH2-CG1 4.15Å; W170-I205 HydrophobicContact CH2-CG2 3.47Å; W170-I205 VanDerWaalsContact CH2-CG2 3.47Å; W170-I205 HydrophobicContact CZ2-CB 4.22Å; W170-I205 HydrophobicContact CZ2-CD1 3.71Å; W170-I205 HydrophobicContact CZ2-CG1 4.46Å; W170-I205 HydrophobicContact CZ2-CG2 3.39Å; W170-I205 HydrophobicContact CZ3-CB 4.31Å; W170-I205 HydrophobicContact CZ3-CD1 4.36Å; W170-I205 HydrophobicContact CZ3-CG2 3.98Å; W170-L206 HydrophobicContact CB-CD1 4.22Å; W170-L206 HydrophobicContact CD2-CD1 4.39Å; W170-L206 HydrophobicContact CE3-CD1 4.41Å; W170-L206 HydrophobicContact CG-CD1 4.35Å
171Q60.9Low59.3Low58 Ų5875 Ų7527%0.27139%0.394SS..Hα-helixtrans-70.8-34174.3-71.3174.6-16.900112.9V167 R168 Y173 L198 L201V167-Q171 HydrophobicContact CG1-CG 4.39Å; V167-Q171 VanDerWaalsContact O-CG 3.32Å; V167-Q171 WeakPolarHBondContact O-CG 3.37Å; V167-Q171 PolarHBondContact O-N 2.8Å; R168-Q171 CarbonylContact O-C 3.53Å; R168-Q171 PolarHBondContact O-N 2.88Å; R168-Q171 VanDerWaalsContact O-N 3.13Å; Q171-Y173 VanDerWaalsContact C-N 3.28Å; Q171-L198 HydrophobicContact CB-CD2 4.07Å; Q171-L201 HydrophobicContact CG-CD1 4.39Å; Q171-L201 VanDerWaalsContact NE2-CD1 3.28Å
172E59Low57.2Low108 Ų10879.3 Ų79.351%0.50541%0.414SS..SBendtrans-81-7.5176.7-72.7174.8-164.100112.5R168 V174R168-E172 VanDerWaalsContact O-CB 3.27Å; R168-E172 WeakPolarHBondContact O-CB 3.44Å; R168-E172 VanDerWaalsContact O-CG 3.29Å; R168-E172 WeakPolarHBondContact O-CG 3.42Å; R168-E172 PolarHBondContact O-N 2.82Å; E172-V174 PolarHBondContact O-N 3.43Å
173Y59.3Low55.4Low40 Ų4083.5 Ų83.516%0.15744%0.444CS..  trans-66.3101.7179.4-174.4-98.6000110.5F169 W170 Q171 E175 P302 G304 W305F169-Y173 PolarHBondContact O-N 2.78Å; F169-Y173 VanDerWaalsContact O-N 3.07Å; W170-Y173 WeakPolarHBondContact O-CB 3.16Å; W170-Y173 PolarHBondContact O-N 2.85Å; Q171-Y173 VanDerWaalsContact C-N 3.28Å; Y173-E175 HydrophobicContact CE1-CG 4.06Å; Y173-P302 WeakPolarHBondContact OH-CG 3.4Å; Y173-G304 VanDerWaalsContact CD1-C 3.48Å; Y173-G304 WeakPolarHBondContact CD1-O 3.21Å; Y173-G304 VanDerWaalsContact CE1-C 3.48Å; Y173-W305 HydrophobicContact CE1-CB 4.39Å
174V50.8Low53.5Low121 Ų12187 Ų8773%0.73347%0.466SS*.  trans-93.4120.9169.8-179.90000107.7E172 P176E172-V174 PolarHBondContact O-N 3.43Å; V174-P176 VanDerWaalsContact O-CD 3.28Å; V174-P176 WeakPolarHBondContact O-CD 3.41Å
175E50.9Low51.9Low73 Ų7391.3 Ų91.334%0.34149%0.491SS..  trans-53.4122.7174.9-72.6-173.2-168.700110.4Y173 L177 K310Y173-E175 HydrophobicContact CE1-CG 4.06Å; E175-L177 PolarHBondContact O-N 2.9Å; E175-K310 IonicContact OE1-NZ 2.76Å; E175-K310 PolarHBondContact OE1-NZ 3.34Å; E175-K310 IonicContact OE2-NZ 3.14Å; E175-K310 PolarHBondContact OE2-NZ 3.46Å
176P50.3Low49.9Very low41 Ų4191.3 Ų91.327%0.26651%0.511SS..G310 helixtrans-679-179.2-22.733.2000116.1V174 D178 S179V174-P176 VanDerWaalsContact O-CD 3.28Å; V174-P176 WeakPolarHBondContact O-CD 3.41Å; P176-D178 PolarHBondContact O-N 3.36Å; P176-S179 PolarHBondContact O-OG 2.97Å
177L47.3Very low47.9Very low75 Ų7598.2 Ų98.239%0.39355%0.548SS..G310 helixtrans-83.2-6.2-161.2-82.7159.4000116.7E175 A290E175-L177 PolarHBondContact O-N 2.9Å; L177-A290 HydrophobicContact CD2-CB 4.16Å
178D34.3Very low46.1Very low129 Ų129106.3 Ų106.369%0.6958%0.58SS**G310 helixtrans-99.24.7-177.9-70.4-24.5000115.2P176 S180P176-D178 PolarHBondContact O-N 3.36Å; D178-S180 PolarHBondContact O-N 3.09Å
179S32.9Very low44.4Very low111 Ų111105.8 Ų105.878%0.77659%0.591SS**THydrogen-bonded Turntrans-87.54.5-172.849.30000115.7P176P176-S179 PolarHBondContact O-OG 2.97Å
180S37Very low42.9Very low115 Ų115109.2 Ų109.280%0.80462%0.62SS**THydrogen-bonded Turntrans-119.13.7-179.661.70000116.4D178D178-S180 PolarHBondContact O-N 3.09Å
181S35.3Very low41.1Very low79 Ų79110.8 Ų110.855%0.55264%0.638SS**SBendtrans-131.85.7-178.153.60000116
182H35.2Very low39.7Very low170 Ų170115.9 Ų115.979%0.78766%0.664SS**  trans-12656.5173.3-72.4-69000112.8
183S33Very low38.4Very low97 Ų97119.3 Ų119.368%0.67868%0.68SS**  trans-88.4130.1149.253.10000108.1
184D36.6Very low37Very low150 Ų150123 Ų12380%0.80271%0.707SS**SBendtrans102.450173.8-49.5-26.4000117.4
185L41.7Very low36Very low182 Ų182124.5 Ų124.595%0.95371%0.711SS**SBendtrans169.3114.6133.3-118.563000110.6
186G31.7Very low35.2Very low74 Ų74127.8 Ų127.876%0.76373%0.726SS**  trans130.586.7155.700000115.1K188G186-K188 PolarHBondContact O-N 2.74Å
187N32.3Very low34.4Very low172 Ų172135.1 Ų135.192%0.9276%0.755SS**  trans-43.9102.4147.4-88.7-9.5000110.3
188K33.3Very low34.3Very low198 Ų198136 Ų13686%0.86176%0.759SS**  trans-130.9102.7147.6-82.9-167176-175.80107.9G186G186-K188 PolarHBondContact O-N 2.74Å
189V36Very low34.9Very low119 Ų119136.5 Ų136.572%0.72176%0.761SS**  trans-35.6127.3154-172.70000108.6S191V189-S191 PolarHBondContact O-N 2.75Å
190P35.6Very low35.7Very low129 Ų129136.6 Ų136.684%0.83876%0.759SS**  trans-73.288.9157.925.4-18.1000105.4M192P190-M192 PolarHBondContact O-N 2.79Å
191S30.8Very low36.5Very low85 Ų85133.5 Ų133.559%0.59473%0.733SS**  trans-53.3133165.146.40000108.3V189V189-S191 PolarHBondContact O-N 2.75Å
192M31.6Very low37.3Very low166 Ų166132.5 Ų132.582%0.81873%0.726SS**SBendtrans-30.4143153.6-72.8152.755.900110.9P190P190-M192 PolarHBondContact O-N 2.79Å
193E29.9Very low37.9Very low179 Ų179134.4 Ų134.484%0.83674%0.735SS**  trans81.374176.1-48.4169.5-160.800114
194T30.1Very low39Very low118 Ų118132.5 Ų132.572%0.72472%0.722SS**  trans-131.9102144.8-440000105.4Q196T194-Q196 VanDerWaalsContact C-N 3.28Å; T194-Q196 PolarHBondContact O-N 2.74Å
195D29.9Very low39.9Very low153 Ų153126.3 Ų126.382%0.81869%0.689SS**  trans-43.6105.5156.5-82.6-40.7000106.1F197D195-F197 VanDerWaalsContact C-N 3.32Å; D195-F197 PolarHBondContact O-N 3.37Å
196Q35.1Very low40.6Very low141 Ų141118.3 Ų118.366%0.65965%0.647SS**  trans-57.6103.9176-68.9174.32.400105T194 L198T194-Q196 VanDerWaalsContact C-N 3.28Å; T194-Q196 PolarHBondContact O-N 2.74Å; Q196-L198 PolarHBondContact O-N 3.43Å
197F32.5Very low41.6Very low196 Ų196117.9 Ų117.986%0.8663%0.632SS**  trans-61.690.3171.5-117.2-92.4000105.8D195 L199D195-F197 VanDerWaalsContact C-N 3.32Å; D195-F197 PolarHBondContact O-N 3.37Å; F197-L199 PolarHBondContact O-N 3.12Å
198L45.2Very low42.8Very low93 Ų93114 Ų11449%0.48761%0.611SS.*  trans-61.2108.1174.9-65.3173.8000106.1Q171 Q196Q171-L198 HydrophobicContact CB-CD2 4.07Å; Q196-L198 PolarHBondContact O-N 3.43Å
199L47.6Very low44.4Very low139 Ų139106 Ų10673%0.72858%0.579SS**PPolyproline II helixtrans-64128.8175.8-71.9168.5000107.6F197 L201F197-L199 PolarHBondContact O-N 3.12Å; L199-L201 PolarHBondContact O-N 3.47Å
200P48.8Very low46Very low114 Ų114101.5 Ų101.574%0.7455%0.55SS**PPolyproline II helixtrans-60132.417524.4-31.4000108.5S202P200-S202 PolarHBondContact O-N 2.91Å
201L54.2Low47.6Very low50 Ų5095.8 Ų95.826%0.26251%0.514SS..PPolyproline II helixtrans-55.5135.5172.8-59.795.4000108.2V167 W170 Q171 L199 E203 L206V167-L201 HydrophobicContact CG1-CD1 3.93Å; W170-L201 HydrophobicContact CD2-CD2 4.28Å; W170-L201 HydrophobicContact CE3-CD2 3.15Å; W170-L201 HydrophobicContact CE3-CG 3.7Å; W170-L201 HydrophobicContact CH2-CD2 4.34Å; W170-L201 HydrophobicContact CZ3-CB 3.87Å; W170-L201 HydrophobicContact CZ3-CD2 3.2Å; W170-L201 HydrophobicContact CZ3-CG 3.43Å; W170-L201 VanDerWaalsContact CZ3-CG 3.43Å; Q171-L201 HydrophobicContact CG-CD1 4.39Å; Q171-L201 VanDerWaalsContact NE2-CD1 3.28Å; L199-L201 PolarHBondContact O-N 3.47Å; L201-E203 PolarHBondContact O-N 3.12Å; L201-L206 HydrophobicContact CD2-CB 4.15Å; L201-L206 HydrophobicContact CD2-CD1 3.79Å; L201-L206 HydrophobicContact CD2-CG 4.24Å
202S53Low49.9Very low58 Ų5892.1 Ų92.141%0.40649%0.488SS..PPolyproline II helixtrans-58.5139.216854.90000108.9P200 S204 I205P200-S202 PolarHBondContact O-N 2.91Å; S202-S204 PolarHBondContact O-N 3.36Å; S202-I205 PolarHBondContact O-N 3.4Å; S202-I205 WeakPolarHBondContact OG-CD1 3.47Å
203E47.1Very low52.3Low209 Ų20985.3 Ų85.398%0.97746%0.457SS*.THydrogen-bonded Turntrans-56.615.8-167.2-66.4-176.7149.400117.6L201L201-E203 PolarHBondContact O-N 3.12Å
204S55.4Low55Low58 Ų5877.4 Ų77.441%0.40642%0.42SS..THydrogen-bonded Turntrans-135.56.7-178.3700000114.3S202S202-S204 PolarHBondContact O-N 3.36Å
205I56.3Low57.8Low19 Ų1971.9 Ų71.910%0.09739%0.386CS..SBendtrans-114.3130.2-178.3-53.5165000108.3W170 S202 F250W170-I205 HydrophobicContact CD2-CG2 4.38Å; W170-I205 HydrophobicContact CE3-CG2 4.41Å; W170-I205 HydrophobicContact CH2-CB 3.83Å; W170-I205 HydrophobicContact CH2-CD1 3.29Å; W170-I205 HydrophobicContact CH2-CG1 4.15Å; W170-I205 HydrophobicContact CH2-CG2 3.47Å; W170-I205 VanDerWaalsContact CH2-CG2 3.47Å; W170-I205 HydrophobicContact CZ2-CB 4.22Å; W170-I205 HydrophobicContact CZ2-CD1 3.71Å; W170-I205 HydrophobicContact CZ2-CG1 4.46Å; W170-I205 HydrophobicContact CZ2-CG2 3.39Å; W170-I205 HydrophobicContact CZ3-CB 4.31Å; W170-I205 HydrophobicContact CZ3-CD1 4.36Å; W170-I205 HydrophobicContact CZ3-CG2 3.98Å; S202-I205 PolarHBondContact O-N 3.4Å; S202-I205 WeakPolarHBondContact OG-CD1 3.47Å; I205-F250 HydrophobicContact CD1-CE2 3.4Å; I205-F250 VanDerWaalsContact CD1-CE2 3.4Å; I205-F250 HydrophobicContact CD1-CZ 3.54Å; I205-F250 HydrophobicContact CG1-CE1 4.5Å; I205-F250 HydrophobicContact CG1-CE2 3.66Å; I205-F250 HydrophobicContact CG1-CZ 3.55Å
206L56.3Low60.6Low15 Ų1564.7 Ų64.78%0.07935%0.347CS..SBendtrans67.836.5-175.7-66.8-177.9000113.1L166 V167 W170 L201 N209 D256L166-L206 HydrophobicContact CD2-CD2 4.41Å; V167-L206 HydrophobicContact CB-CD1 4.4Å; V167-L206 HydrophobicContact CG2-CD1 3.74Å; W170-L206 HydrophobicContact CB-CD1 4.22Å; W170-L206 HydrophobicContact CD2-CD1 4.39Å; W170-L206 HydrophobicContact CE3-CD1 4.41Å; W170-L206 HydrophobicContact CG-CD1 4.35Å; L201-L206 HydrophobicContact CD2-CB 4.15Å; L201-L206 HydrophobicContact CD2-CD1 3.79Å; L201-L206 HydrophobicContact CD2-CG 4.24Å; L206-N209 WeakPolarHBondContact CA-OD1 3.09Å; L206-N209 WeakPolarHBondContact CB-OD1 3.35Å; L206-N209 WeakPolarHBondContact CD2-OD1 3.24Å; L206-N209 VanDerWaalsContact O-CG 3.29Å; L206-N209 PolarHBondContact O-ND2 2.67Å; L206-N209 PolarHBondContact O-OD1 2.95Å; L206-D256 HydrophobicContact CD2-CB 4.15Å; L206-D256 WeakPolarHBondContact CD2-O 3.34Å; L206-D256 PolarHBondContact N-OD2 2.69Å; L206-D256 VanDerWaalsContact N-OD2 3.09Å
207S53.1Low63.2Low64 Ų6458 Ų5845%0.44832%0.316SS..THydrogen-bonded Turntrans-70.1-43.7-177.260.40000112.6D256S207-D256 PolarHBondContact N-OD2 3.43Å; S207-D256 PolarHBondContact OG-OD2 3.49Å; S207-D256 VanDerWaalsContact OG-OD2 3.06Å
208N57.7Low65.9Low90 Ų9048.6 Ų48.648%0.48128%0.275SS..THydrogen-bonded Turntrans-118.576.9173.4-74.8-19.2000110.1I210 V253N208-I210 PolarHBondContact O-N 2.98Å; N208-I210 VanDerWaalsContact O-N 3.12Å; N208-V253 HydrophobicContact CB-CG1 3.72Å; N208-V253 WeakPolarHBondContact CB-O 3.37Å; N208-V253 WeakPolarHBondContact ND2-CG1 3.16Å
209N65.4Low68Low32 Ų3244.5 Ų44.517%0.17125%0.254CS..  trans-64.8117.2177.8-66.6-20.6000111K163 L206 G211K163-N209 HydrophobicContact CD-CB 4.15Å; K163-N209 WeakPolarHBondContact CE-O 3.37Å; K163-N209 HydrophobicContact CG-CB 3.86Å; L206-N209 WeakPolarHBondContact CA-OD1 3.09Å; L206-N209 WeakPolarHBondContact CB-OD1 3.35Å; L206-N209 WeakPolarHBondContact CD2-OD1 3.24Å; L206-N209 VanDerWaalsContact O-CG 3.29Å; L206-N209 PolarHBondContact O-ND2 2.67Å; L206-N209 PolarHBondContact O-OD1 2.95Å; N209-G211 PolarHBondContact O-N 3.29Å
210I70.6Confident69.7Low24 Ų2440.8 Ų40.812%0.12323%0.232CC..  trans-74-15.5171.8-63.9-170.6000110.1A145 L148 N208 V212 L214 H254A145-I210 HydrophobicContact CB-CD1 4.47Å; L148-I210 HydrophobicContact CD1-CB 4.33Å; L148-I210 HydrophobicContact CD1-CG2 3.04Å; L148-I210 WeakPolarHBondContact CD1-O 3.35Å; N208-I210 PolarHBondContact O-N 2.98Å; N208-I210 VanDerWaalsContact O-N 3.12Å; I210-V212 PolarHBondContact O-N 3.23Å; I210-L214 HydrophobicContact CD1-CD1 4.34Å; I210-H254 HydrophobicContact CD1-CB 4.33Å; I210-H254 WeakPolarHBondContact CD1-O 3.08Å
211G69.8Low71.4Confident8 Ų835.5 Ų35.58%0.08220%0.198CC..SBendtrans79.9-3.9177.300000114N209N209-G211 PolarHBondContact O-N 3.29Å
212V78.2Confident72.7Confident9 Ų934.9 Ų34.96%0.05519%0.194CC..SBendtrans-118.4131.6176.1179.90000108.6L116 A121 L148 I210 L214L116-V212 HydrophobicContact CD2-CG2 4.19Å; A121-V212 HydrophobicContact CB-CG1 4.01Å; L148-V212 HydrophobicContact CD1-CG2 4.48Å; I210-V212 PolarHBondContact O-N 3.23Å; V212-L214 PolarHBondContact O-N 3.45Å
213P82.6Confident73.8Confident23 Ų2335.1 Ų35.115%0.14919%0.19CC..  trans-63.4130.9174.825.7-34.3000111S119 V120 A121 L166S119-P213 WeakPolarHBondContact O-CD 3.34Å; S119-P213 WeakPolarHBondContact O-CG 3.27Å; V120-P213 HydrophobicContact CB-CG 4.43Å; V120-P213 HydrophobicContact CG2-CG 3.83Å; A121-P213 PolarHBondContact N-O 2.6Å; L166-P213 HydrophobicContact CD1-CB 4.02Å
214L86.4Confident75.2Confident13 Ų1325.9 Ų25.97%0.06815%0.147CC..EExtended strand (participates in β ladder)trans-103.3140.5-178.6-62.8-178000111.5A121 L144 I210 V212 H254 T255 A258 A259A121-L214 HydrophobicContact CB-CD2 3.68Å; A121-L214 CarbonylContact O-C 3.57Å; A121-L214 WeakPolarHBondContact O-CA 3.32Å; L144-L214 HydrophobicContact CD1-CD2 3.88Å; I210-L214 HydrophobicContact CD1-CD1 4.34Å; V212-L214 PolarHBondContact O-N 3.45Å; L214-H254 WeakPolarHBondContact CD1-O 3.31Å; L214-T255 HydrophobicContact CD1-CG2 4.06Å; L214-A258 HydrophobicContact CB-CB 3.85Å; L214-A258 CarbonylContact O-C 3.53Å; L214-A258 WeakPolarHBondContact O-CA 3.22Å; L214-A259 PolarHBondContact O-N 3.17Å
215I88.4Confident76.3Confident1 Ų126.3 Ų26.31%0.00515%0.15CC..EExtended strand (participates in β ladder)trans-130120172.3-54.4174.7000108.1V120 A121 V122 I123 V217 A259 V261 L274 Y277 I278V120-I215 HydrophobicContact CG1-CD1 3.5Å; V120-I215 VanDerWaalsContact CG1-CD1 3.5Å; V120-I215 HydrophobicContact CG1-CG1 3.95Å; A121-I215 PolarHBondContact O-N 2.83Å; V122-I215 CarbonylContact C-O 3.57Å; V122-I215 VanDerWaalsContact CA-O 3.27Å; V122-I215 WeakPolarHBondContact CA-O 3.37Å; V122-I215 HydrophobicContact CG2-CB 4.34Å; V122-I215 HydrophobicContact CG2-CD1 4.47Å; I123-I215 PolarHBondContact N-O 2.98Å; I215-V217 HydrophobicContact CG2-CG2 3.9Å; I215-A259 CarbonylContact C-O 3.24Å; I215-A259 WeakPolarHBondContact CA-O 3.47Å; I215-A259 HydrophobicContact CG1-CB 4.43Å; I215-A259 HydrophobicContact CG2-CB 4.34Å; I215-V261 HydrophobicContact CG2-CG2 4.17Å; I215-L274 HydrophobicContact CG2-CD1 3.83Å; I215-Y277 HydrophobicContact CD1-CD1 3.63Å; I215-Y277 HydrophobicContact CD1-CE1 3.74Å; I215-Y277 HydrophobicContact CG1-CD1 4.3Å; I215-Y277 HydrophobicContact CG1-CE1 3.95Å; I215-I278 HydrophobicContact CD1-CG1 3.79Å
216V89Confident77.5Confident2 Ų227.6 Ų27.61%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-90.5119.5173.2-177.10000108.5L137 L218 A258 A259 I260 V261L137-V216 HydrophobicContact CD1-CG1 4.49Å; L137-V216 HydrophobicContact CD1-CG2 3.87Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; V216-A258 HydrophobicContact CG2-CB 4.22Å; V216-A259 PolarHBondContact N-O 3.19Å; V216-I260 CarbonylContact O-C 3.47Å; V216-I260 WeakPolarHBondContact O-CA 3.45Å; V216-V261 PolarHBondContact O-N 2.89Å
217V89.9Confident78.4Confident0 Ų027.2 Ų27.20%016%0.159CC..EExtended strand (participates in β ladder)trans-113.3117.8179.1179.20000109.4L41 V122 I123 C124 C125 I215 T219 V261 T263 L274L41-V217 HydrophobicContact CD1-CG1 3.69Å; V122-V217 HydrophobicContact CG1-CB 4.17Å; V122-V217 HydrophobicContact CG1-CG2 3.49Å; V122-V217 VanDerWaalsContact CG1-CG2 3.49Å; I123-V217 PolarHBondContact O-N 2.88Å; C124-V217 WeakPolarHBondContact CA-O 3.46Å; C125-V217 PolarHBondContact N-O 2.64Å; I215-V217 HydrophobicContact CG2-CG2 3.9Å; V217-T219 HydrophobicContact CG1-CG2 4.25Å; V217-V261 CarbonylContact C-O 3.55Å; V217-V261 VanDerWaalsContact CA-O 3.26Å; V217-V261 WeakPolarHBondContact CA-O 3.33Å; V217-V261 HydrophobicContact CG2-CB 4.43Å; V217-T263 HydrophobicContact CG1-CG2 3.4Å; V217-T263 VanDerWaalsContact CG1-CG2 3.4Å; V217-L274 HydrophobicContact CG1-CD2 4.28Å; V217-L274 HydrophobicContact CG2-CD1 3.76Å; V217-L274 HydrophobicContact CG2-CD2 3.83Å; V217-L274 HydrophobicContact CG2-CG 4.48Å
218L89.6Confident79.6Confident0 Ų027.4 Ų27.40%015%0.152CC..EExtended strand (participates in β ladder)trans-90.4116.7170.4-63-161.7000109.8C125 I133 V216 M245 V261 Y262 T263C125-L218 HydrophobicContact CB-CD2 3.56Å; C125-L218 CarbonylContact O-C 3.59Å; C125-L218 WeakPolarHBondContact O-CA 3.2Å; I133-L218 HydrophobicContact CD1-CD1 4.31Å; I133-L218 HydrophobicContact CD1-CD2 4.05Å; I133-L218 HydrophobicContact CG2-CD2 4.14Å; V216-L218 HydrophobicContact CG1-CD2 4.46Å; L218-M245 HydrophobicContact CD1-CG 4.24Å; L218-M245 HydrophobicContact CD1-SD 4.4Å; L218-M245 HydrophobicContact CD2-SD 4.45Å; L218-V261 PolarHBondContact N-O 2.93Å; L218-Y262 HydrophobicContact CB-CD1 3.69Å; L218-Y262 HydrophobicContact CB-CE1 4.01Å; L218-Y262 HydrophobicContact CB-CG 4.23Å; L218-Y262 HydrophobicContact CD1-CD1 3.79Å; L218-Y262 HydrophobicContact CD1-CE1 3.2Å; L218-Y262 HydrophobicContact CD1-CE2 4.2Å; L218-Y262 VanDerWaalsContact CD1-CZ 3.44Å; L218-Y262 HydrophobicContact CG-CD1 3.75Å; L218-Y262 HydrophobicContact CG-CE1 3.56Å; L218-T263 WeakPolarHBondContact O-CG2 3.38Å; L218-T263 PolarHBondContact O-N 2.9Å
219T88.4Confident80.6Confident7 Ų731.3 Ų31.34%0.04317%0.165CC..EExtended strand (participates in β ladder)trans-95.7162.9177.166.60000111.3C36 L41 C124 C125 M127 V217 T263C36-T219 WeakPolarHBondContact O-CB 3.43Å; C36-T219 PolarHBondContact O-OG1 3.49Å; L41-T219 HydrophobicContact CD1-CG2 4.09Å; C124-T219 HydrophobicContact CB-CG2 4.48Å; C125-T219 PolarHBondContact O-N 3.42Å; C125-T219 PolarHBondContact O-OG1 3.23Å; M127-T219 VanDerWaalsContact CB-O 3.28Å; M127-T219 WeakPolarHBondContact CB-O 3.49Å; M127-T219 PolarHBondContact N-O 2.89Å; V217-T219 HydrophobicContact CG1-CG2 4.25Å; T219-T263 HydrophobicContact CG2-CG2 3.86Å
220K84.7Confident81.1Confident61 Ų6134 Ų3427%0.26518%0.179SC..  trans63.836.7176.3-50.6-177.9-170162.30114.5N35 S126 A128 D222 M223 T263N35-K220 VanDerWaalsContact O-CE 3.31Å; N35-K220 WeakPolarHBondContact O-CE 3.46Å; N35-K220 PolarHBondContact O-NZ 2.92Å; S126-K220 PolarHBondContact OG-NZ 3.01Å; A128-K220 HydrophobicContact CB-CD 4.08Å; K220-D222 VanDerWaalsContact C-OD1 3.25Å; K220-D222 VanDerWaalsContact CA-OD1 3.24Å; K220-D222 WeakPolarHBondContact CA-OD1 3.42Å; K220-D222 PolarHBondContact O-N 3.49Å; K220-D222 VanDerWaalsContact O-N 3.16Å; K220-M223 HydrophobicContact CB-CG 4.24Å; K220-M223 WeakPolarHBondContact O-CB 3.11Å; K220-M223 PolarHBondContact O-N 2.84Å; K220-T263 PolarHBondContact N-O 2.84Å
221C83.3Confident80.8Confident3 Ų337.2 Ų37.22%0.0219%0.191CC..G310 helixtrans-63.2-15.9174.4-60.20000113.1M223 I224C221-M223 PolarHBondContact O-N 3.32Å; C221-M223 VanDerWaalsContact O-N 3.17Å; C221-I224 HydrophobicContact CB-CD1 4.01Å; C221-I224 WeakPolarHBondContact O-CB 3.4Å; C221-I224 WeakPolarHBondContact O-CD1 3.4Å; C221-I224 WeakPolarHBondContact O-CG1 3.37Å; C221-I224 PolarHBondContact O-N 3.08Å; C221-I224 VanDerWaalsContact O-N 3.11Å
222D81.7Confident80.5Confident36 Ų3643.5 Ų43.519%0.19322%0.222CC..G310 helixtrans-63.5-16.1169.962.4-49.9000114.2K220 I224 N264 K266K220-D222 VanDerWaalsContact C-OD1 3.25Å; K220-D222 VanDerWaalsContact CA-OD1 3.24Å; K220-D222 WeakPolarHBondContact CA-OD1 3.42Å; K220-D222 PolarHBondContact O-N 3.49Å; K220-D222 VanDerWaalsContact O-N 3.16Å; D222-I224 VanDerWaalsContact C-N 3.31Å; D222-N264 WeakPolarHBondContact CB-OD1 3.31Å; D222-K266 HydrophobicContact CB-CD 4.07Å; D222-K266 WeakPolarHBondContact OD2-CD 3.19Å; D222-K266 WeakPolarHBondContact OD2-CE 3.2Å; D222-K266 IonicContact OD2-NZ 2.68Å; D222-K266 PolarHBondContact OD2-NZ 3.35Å
223M75.4Confident79.9Confident63 Ų6344.3 Ų44.331%0.3123%0.226SC..G310 helixtrans-80.7-9.7175.6-65.6-60.7-63.900113K220 C221 S225 S226 L227K220-M223 HydrophobicContact CB-CG 4.24Å; K220-M223 WeakPolarHBondContact O-CB 3.11Å; K220-M223 PolarHBondContact O-N 2.84Å; C221-M223 PolarHBondContact O-N 3.32Å; C221-M223 VanDerWaalsContact O-N 3.17Å; M223-S225 VanDerWaalsContact C-N 3.32Å; M223-S225 PolarHBondContact O-N 3.19Å; M223-S226 CarbonylContact O-C 3.56Å; M223-S226 WeakPolarHBondContact O-CA 3.03Å; M223-S226 WeakPolarHBondContact O-CB 3.48Å; M223-S226 PolarHBondContact O-N 3.46Å; M223-L227 WeakPolarHBondContact O-CB 3.22Å; M223-L227 VanDerWaalsContact O-CG 3.28Å; M223-L227 WeakPolarHBondContact O-CG 3.34Å; M223-L227 PolarHBondContact O-N 2.99Å
224I78.1Confident79.1Confident15 Ų1550.1 Ų50.18%0.07725%0.245CC..Hα-helixtrans-53.4-50178.4-69168.9000110.3M127 C221 D222 S226 L227 E228 F238M127-I224 HydrophobicContact CE-CD1 3.86Å; M127-I224 HydrophobicContact CE-CG1 4.02Å; M127-I224 HydrophobicContact CG-CD1 4.42Å; M127-I224 HydrophobicContact CG-CG1 3.9Å; C221-I224 HydrophobicContact CB-CD1 4.01Å; C221-I224 WeakPolarHBondContact O-CB 3.4Å; C221-I224 WeakPolarHBondContact O-CD1 3.4Å; C221-I224 WeakPolarHBondContact O-CG1 3.37Å; C221-I224 PolarHBondContact O-N 3.08Å; C221-I224 VanDerWaalsContact O-N 3.11Å; D222-I224 VanDerWaalsContact C-N 3.31Å; I224-S226 PolarHBondContact O-N 2.67Å; I224-L227 WeakPolarHBondContact O-CB 3.26Å; I224-L227 PolarHBondContact O-N 2.78Å; I224-L227 VanDerWaalsContact O-N 3.11Å; I224-E228 WeakPolarHBondContact O-CG 3.44Å; I224-E228 PolarHBondContact O-N 3.36Å; I224-F238 HydrophobicContact CB-CE1 4.17Å; I224-F238 HydrophobicContact CB-CZ 4.35Å; I224-F238 HydrophobicContact CG1-CD1 4.34Å; I224-F238 HydrophobicContact CG1-CE1 3.92Å; I224-F238 HydrophobicContact CG2-CD1 4.06Å; I224-F238 HydrophobicContact CG2-CD2 4.36Å; I224-F238 HydrophobicContact CG2-CE1 3.71Å; I224-F238 HydrophobicContact CG2-CE2 4.04Å; I224-F238 HydrophobicContact CG2-CG 4.37Å; I224-F238 HydrophobicContact CG2-CZ 3.7Å
225S78.2Confident78.4Confident68 Ų6853 Ų5348%0.47626%0.261SS..Hα-helixtrans-66.8-21.3177.8-45.70000114.5M223 K229M223-S225 VanDerWaalsContact C-N 3.32Å; M223-S225 PolarHBondContact O-N 3.19Å; S225-K229 WeakPolarHBondContact O-CG 3.39Å
226S80.1Confident77.7Confident45 Ų4556.9 Ų56.932%0.31528%0.279SS..Hα-helixtrans-82.5-37.3173.8-59.20000110.8M223 I224 K229 D230M223-S226 CarbonylContact O-C 3.56Å; M223-S226 WeakPolarHBondContact O-CA 3.03Å; M223-S226 WeakPolarHBondContact O-CB 3.48Å; M223-S226 PolarHBondContact O-N 3.46Å; I224-S226 PolarHBondContact O-N 2.67Å; S226-K229 PolarHBondContact O-N 3.19Å; S226-D230 WeakPolarHBondContact O-CB 3.37Å; S226-D230 PolarHBondContact O-N 2.94Å
227L76.4Confident77.1Confident8 Ų858.5 Ų58.54%0.04229%0.286CS..Hα-helixtrans-67.3-37.8176.5-69.8173000111.7M127 M223 I224 K229 D230 Y231 L233 F238M127-L227 VanDerWaalsContact O-CD1 3.23Å; M127-L227 WeakPolarHBondContact O-CD1 2.86Å; M223-L227 WeakPolarHBondContact O-CB 3.22Å; M223-L227 VanDerWaalsContact O-CG 3.28Å; M223-L227 WeakPolarHBondContact O-CG 3.34Å; M223-L227 PolarHBondContact O-N 2.99Å; I224-L227 WeakPolarHBondContact O-CB 3.26Å; I224-L227 PolarHBondContact O-N 2.78Å; I224-L227 VanDerWaalsContact O-N 3.11Å; L227-K229 PolarHBondContact O-N 3.36Å; L227-D230 PolarHBondContact O-N 3.22Å; L227-Y231 HydrophobicContact CB-CD2 4.42Å; L227-Y231 HydrophobicContact CD2-CD2 3.58Å; L227-Y231 HydrophobicContact CD2-CE2 3.48Å; L227-Y231 VanDerWaalsContact CD2-CE2 3.48Å; L227-Y231 WeakPolarHBondContact O-CB 3.17Å; L227-Y231 PolarHBondContact O-N 2.98Å; L227-L233 HydrophobicContact CB-CD1 4.02Å; L227-F238 HydrophobicContact CB-CZ 4.18Å
228E78.4Confident76.4Confident67 Ų6759.3 Ų59.331%0.31329%0.29SS..Hα-helixtrans-54.6-41.5170-74.6171.9-179.200111.6I224 D232 F238I224-E228 WeakPolarHBondContact O-CG 3.44Å; I224-E228 PolarHBondContact O-N 3.36Å; E228-D232 WeakPolarHBondContact O-CA 3.22Å; E228-D232 PolarHBondContact O-N 3.42Å; E228-F238 HydrophobicContact CG-CE2 3.61Å; E228-F238 HydrophobicContact CG-CZ 4.23Å
229K78.6Confident75.9Confident173 Ų17360.1 Ų60.175%0.75229%0.294SS*.Hα-helixtrans-79.5-37.5-178.5-68.7176.2-176.8175.80114S225 S226 L227S225-K229 WeakPolarHBondContact O-CG 3.39Å; S226-K229 PolarHBondContact O-N 3.19Å; L227-K229 PolarHBondContact O-N 3.36Å
230D75.1Confident75.3Confident87 Ų8760.8 Ų60.847%0.46530%0.297SS..Hα-helixtrans-81.9-28.6-176.2-86.8-44.2000112.5S226 L227 R337S226-D230 WeakPolarHBondContact O-CB 3.37Å; S226-D230 PolarHBondContact O-N 2.94Å; L227-D230 PolarHBondContact O-N 3.22Å; D230-R337 IonicContact OD1-NH1 3.39Å; D230-R337 PolarHBondContact OD1-NH1 2.79Å
231Y64.7Low75Confident93 Ų9358.1 Ų58.137%0.36529%0.285SS..Hα-helixtrans-121.32.5-171.8-63.3-71.6000114.9L227 L233 P334L227-Y231 HydrophobicContact CB-CD2 4.42Å; L227-Y231 HydrophobicContact CD2-CD2 3.58Å; L227-Y231 HydrophobicContact CD2-CE2 3.48Å; L227-Y231 VanDerWaalsContact CD2-CE2 3.48Å; L227-Y231 WeakPolarHBondContact O-CB 3.17Å; L227-Y231 PolarHBondContact O-N 2.98Å; Y231-L233 HydrophobicContact CD2-CD1 4.4Å; Y231-L233 HydrophobicContact CG-CD1 4.42Å; Y231-L233 PolarHBondContact O-N 3.12Å; Y231-L233 VanDerWaalsContact O-N 3.11Å; Y231-P334 HydrophobicContact CE1-CB 3.6Å; Y231-P334 HydrophobicContact CE1-CG 3.51Å; Y231-P334 VanDerWaalsContact CZ-CG 3.45Å; Y231-P334 VanDerWaalsContact OH-CB 3.31Å; Y231-P334 WeakPolarHBondContact OH-CB 3.47Å; Y231-P334 WeakPolarHBondContact OH-CG 3.31Å
232D62.5Low74.9Confident139 Ų13958.6 Ų58.674%0.74329%0.287SS*.  trans48.835.1-173.2-67-37.8000112.1E228 R234E228-D232 WeakPolarHBondContact O-CA 3.22Å; E228-D232 PolarHBondContact O-N 3.42Å; D232-R234 PolarHBondContact O-N 3.44Å
233L65.5Low74.6Confident27 Ų2757.4 Ų57.414%0.14128%0.283CS..  trans-68.2108.5178.4-72.9162.6000108.1L227 Y231 H237 F238L227-L233 HydrophobicContact CB-CD1 4.02Å; Y231-L233 HydrophobicContact CD2-CD1 4.4Å; Y231-L233 HydrophobicContact CG-CD1 4.42Å; Y231-L233 PolarHBondContact O-N 3.12Å; Y231-L233 VanDerWaalsContact O-N 3.11Å; L233-H237 HydrophobicContact CD2-CB 3.92Å; L233-F238 HydrophobicContact CB-CE2 3.89Å; L233-F238 HydrophobicContact CB-CZ 4.29Å; L233-F238 HydrophobicContact CD1-CZ 4.21Å
234R67.4Low74.7Confident144 Ų14455.8 Ų55.854%0.54327%0.274SS..  trans-64.5152.5170.5-61.1-176.3-69.2152.812.9110.4D232 E236 H237D232-R234 PolarHBondContact O-N 3.44Å; R234-E236 IonicContact CZ-OE2 3.05Å; R234-E236 IonicContact NE-OE2 3.01Å; R234-E236 IonicContact NH1-OE1 2.8Å; R234-E236 IonicContact NH1-OE2 3.57Å; R234-E236 PolarHBondContact NH1-OE2 3.09Å; R234-E236 IonicContact NH2-OE2 3.33Å; R234-E236 PolarHBondContact NH2-OE2 3.06Å; R234-E236 PolarHBondContact O-N 3.14Å; R234-H237 PolarHBondContact N-ND1 3.36Å; R234-H237 VanDerWaalsContact N-ND1 3.13Å; R234-H237 WeakPolarHBondContact O-CB 3.39Å; R234-H237 PolarHBondContact O-N 3.32Å; R234-H237 PolarHBondContact O-ND1 3.15Å
235D70.9Confident74.7Confident73 Ų7355.2 Ų55.239%0.3927%0.271SS..Hα-helixtrans-42.7-39.9173-70.610.1000113.1H237 F238 D239 R296D235-H237 PolarHBondContact O-N 3.31Å; D235-H237 VanDerWaalsContact O-N 3.08Å; D235-F238 PolarHBondContact O-N 3.22Å; D235-D239 PolarHBondContact O-N 2.99Å; D235-R296 IonicContact OD1-NH1 2.6Å; D235-R296 PolarHBondContact OD1-NH1 2.72Å; D235-R296 IonicContact OD2-CZ 3.88Å; D235-R296 VanDerWaalsContact OD2-CZ 3.28Å; D235-R296 IonicContact OD2-NH1 3.42Å; D235-R296 PolarHBondContact OD2-NH1 3.03Å; D235-R296 IonicContact OD2-NH2 2.75Å; D235-R296 PolarHBondContact OD2-NH2 3.33Å
236E74.6Confident74.7Confident84 Ų8452.1 Ų52.139%0.39325%0.249SC..Hα-helixtrans-50.6-34.9176-63.1173.4-171.400113.5R234 F240R234-E236 IonicContact CZ-OE2 3.05Å; R234-E236 IonicContact NE-OE2 3.01Å; R234-E236 IonicContact NH1-OE1 2.8Å; R234-E236 IonicContact NH1-OE2 3.57Å; R234-E236 PolarHBondContact NH1-OE2 3.09Å; R234-E236 IonicContact NH2-OE2 3.33Å; R234-E236 PolarHBondContact NH2-OE2 3.06Å; R234-E236 PolarHBondContact O-N 3.14Å; E236-F240 VanDerWaalsContact O-CB 3.25Å; E236-F240 WeakPolarHBondContact O-CB 3.32Å; E236-F240 PolarHBondContact O-N 2.94Å
237H75.2Confident74.5Confident36 Ų3652.7 Ų52.717%0.16725%0.247CC..Hα-helixtrans-75.9-36.1-179.8-54.589.5000112L233 R234 D235 F240 V241L233-H237 HydrophobicContact CD2-CB 3.92Å; R234-H237 PolarHBondContact N-ND1 3.36Å; R234-H237 VanDerWaalsContact N-ND1 3.13Å; R234-H237 WeakPolarHBondContact O-CB 3.39Å; R234-H237 PolarHBondContact O-N 3.32Å; R234-H237 PolarHBondContact O-ND1 3.15Å; D235-H237 PolarHBondContact O-N 3.31Å; D235-H237 VanDerWaalsContact O-N 3.08Å; H237-F240 PolarHBondContact O-N 3.34Å; H237-V241 VanDerWaalsContact O-CG2 3.25Å; H237-V241 WeakPolarHBondContact O-CG2 3.08Å; H237-V241 PolarHBondContact O-N 2.94Å
238F74.9Confident74.3Confident16 Ų1652.4 Ų52.47%0.0725%0.246CC..Hα-helixtrans-71.8-39.8176.5-71.6-71.6000110.7M127 I224 L227 E228 L233 D235 F240 V241 Q242M127-F238 HydrophobicContact CE-CD1 4.28Å; I224-F238 HydrophobicContact CB-CE1 4.17Å; I224-F238 HydrophobicContact CB-CZ 4.35Å; I224-F238 HydrophobicContact CG1-CD1 4.34Å; I224-F238 HydrophobicContact CG1-CE1 3.92Å; I224-F238 HydrophobicContact CG2-CD1 4.06Å; I224-F238 HydrophobicContact CG2-CD2 4.36Å; I224-F238 HydrophobicContact CG2-CE1 3.71Å; I224-F238 HydrophobicContact CG2-CE2 4.04Å; I224-F238 HydrophobicContact CG2-CG 4.37Å; I224-F238 HydrophobicContact CG2-CZ 3.7Å; L227-F238 HydrophobicContact CB-CZ 4.18Å; E228-F238 HydrophobicContact CG-CE2 3.61Å; E228-F238 HydrophobicContact CG-CZ 4.23Å; L233-F238 HydrophobicContact CB-CE2 3.89Å; L233-F238 HydrophobicContact CB-CZ 4.29Å; L233-F238 HydrophobicContact CD1-CZ 4.21Å; D235-F238 PolarHBondContact O-N 3.22Å; F238-F240 VanDerWaalsContact C-N 3.31Å; F238-F240 PolarHBondContact O-N 2.91Å; F238-V241 PolarHBondContact O-N 2.81Å; F238-Q242 WeakPolarHBondContact O-CB 3.23Å; F238-Q242 PolarHBondContact O-N 3.03Å
239D79.4Confident73.8Confident18 Ų1849.5 Ų49.510%0.09623%0.233CC..Hα-helixtrans-65.4-38.1175-59.3-20.7000110.5D235 Q242 A243 R296 F318D235-D239 PolarHBondContact O-N 2.99Å; D239-Q242 PolarHBondContact O-N 3.27Å; D239-A243 VanDerWaalsContact O-CB 3.24Å; D239-A243 WeakPolarHBondContact O-CB 3.35Å; D239-A243 PolarHBondContact O-N 3.21Å; D239-R296 IonicContact OD1-NE 3.05Å; D239-F318 HydrophobicContact CB-CB 3.76Å; D239-F318 HydrophobicContact CB-CD1 3.96Å; D239-F318 HydrophobicContact CB-CG 3.88Å
240F76.3Confident73.2Confident21 Ų2142.5 Ų42.59%0.09220%0.202CC..Hα-helixtrans-62.3-44.7170.9180-97.9000112.4E236 H237 F238 Q242 H244 V319 F327 C330E236-F240 VanDerWaalsContact O-CB 3.25Å; E236-F240 WeakPolarHBondContact O-CB 3.32Å; E236-F240 PolarHBondContact O-N 2.94Å; H237-F240 PolarHBondContact O-N 3.34Å; F238-F240 VanDerWaalsContact C-N 3.31Å; F238-F240 PolarHBondContact O-N 2.91Å; F240-Q242 VanDerWaalsContact C-N 3.34Å; F240-Q242 PolarHBondContact O-N 3.27Å; F240-H244 WeakPolarHBondContact O-CB 3.14Å; F240-H244 PolarHBondContact O-N 3.11Å; F240-V319 HydrophobicContact CB-CG2 4.35Å; F240-V319 HydrophobicContact CD2-CG2 4.38Å; F240-F327 HydrophobicContact CD1-CE2 4.34Å; F240-F327 HydrophobicContact CD1-CZ 4.17Å; F240-F327 AromaticContact CE1-CD2 3.98Å; F240-F327 HydrophobicContact CE1-CD2 3.98Å; F240-F327 HydrophobicContact CE1-CE1 4.36Å; F240-F327 AromaticContact CE1-CE2 3.38Å; F240-F327 HydrophobicContact CE1-CE2 3.38Å; F240-F327 AromaticContact CE1-CZ 3.61Å; F240-F327 HydrophobicContact CE1-CZ 3.61Å; F240-F327 HydrophobicContact CZ-CD2 4.29Å; F240-F327 AromaticContact CZ-CE2 3.77Å; F240-F327 HydrophobicContact CZ-CE2 3.77Å; F240-F327 HydrophobicContact CZ-CZ 4.4Å; F240-C330 HydrophobicContact CE1-CB 4.33Å
241V79.4Confident72.7Confident5 Ų541.2 Ų41.23%0.0320%0.2CC..Hα-helixtrans-61.7-44.7175.8169.50000110.3H237 F238 H244 M245 I331H237-V241 VanDerWaalsContact O-CG2 3.25Å; H237-V241 WeakPolarHBondContact O-CG2 3.08Å; H237-V241 PolarHBondContact O-N 2.94Å; F238-V241 PolarHBondContact O-N 2.81Å; V241-H244 PolarHBondContact O-N 3.31Å; V241-M245 HydrophobicContact CG1-CG 4.2Å; V241-M245 WeakPolarHBondContact O-CB 3.5Å; V241-M245 WeakPolarHBondContact O-CG 3.47Å; V241-M245 PolarHBondContact O-N 2.72Å; V241-I331 HydrophobicContact CG2-CD1 3.53Å
242Q79.5Confident72.3Confident13 Ų1341 Ų416%0.06120%0.2CC..Hα-helixtrans-64-50.3179.3-178.1177.3-12.700111.6F238 D239 F240 H244 M245 I246 V293 V299F238-Q242 WeakPolarHBondContact O-CB 3.23Å; F238-Q242 PolarHBondContact O-N 3.03Å; D239-Q242 PolarHBondContact O-N 3.27Å; F240-Q242 VanDerWaalsContact C-N 3.34Å; F240-Q242 PolarHBondContact O-N 3.27Å; Q242-H244 VanDerWaalsContact C-N 3.26Å; Q242-H244 PolarHBondContact O-N 3.32Å; Q242-M245 PolarHBondContact O-N 2.75Å; Q242-I246 HydrophobicContact CG-CD1 4.08Å; Q242-I246 VanDerWaalsContact O-CG1 3.32Å; Q242-I246 WeakPolarHBondContact O-CG1 3.46Å; Q242-I246 PolarHBondContact O-N 3.22Å; Q242-V293 PolarHBondContact NE2-O 2.86Å; Q242-V299 HydrophobicContact CG-CG2 4.33Å
243A76.8Confident71.6Confident11 Ų1137.3 Ų37.39%0.09118%0.182CC..Hα-helixtrans-57.5-43.1176.500000110.7D239 I246 M247D239-A243 VanDerWaalsContact O-CB 3.24Å; D239-A243 WeakPolarHBondContact O-CB 3.35Å; D239-A243 PolarHBondContact O-N 3.21Å; A243-I246 PolarHBondContact O-N 3.12Å; A243-M247 VanDerWaalsContact O-CB 3.3Å; A243-M247 WeakPolarHBondContact O-CB 3.42Å; A243-M247 PolarHBondContact O-N 2.81Å
244H75.9Confident71Confident28 Ų2839.2 Ų39.213%0.1319%0.19CC..Hα-helixtrans-69.1-40.4177.4-163.277.3000112.7M134 F240 V241 Q242 I246 M247 L248 F327M134-H244 WeakPolarHBondContact CE-NE2 3.45Å; F240-H244 WeakPolarHBondContact O-CB 3.14Å; F240-H244 PolarHBondContact O-N 3.11Å; V241-H244 PolarHBondContact O-N 3.31Å; Q242-H244 VanDerWaalsContact C-N 3.26Å; Q242-H244 PolarHBondContact O-N 3.32Å; H244-I246 VanDerWaalsContact C-N 3.3Å; H244-I246 PolarHBondContact O-N 3.28Å; H244-M247 CarbonylContact O-C 3.55Å; H244-M247 WeakPolarHBondContact O-CA 3.47Å; H244-M247 WeakPolarHBondContact O-CB 3.28Å; H244-M247 PolarHBondContact O-N 3.18Å; H244-L248 VanDerWaalsContact NE2-CD2 3.25Å; H244-L248 WeakPolarHBondContact NE2-CD2 3.45Å; H244-L248 WeakPolarHBondContact O-CB 3.06Å; H244-L248 VanDerWaalsContact O-CG 3.22Å; H244-L248 WeakPolarHBondContact O-CG 3Å; H244-L248 PolarHBondContact O-N 3.46Å; H244-F327 HydrophobicContact CB-CE2 3.65Å; H244-F327 HydrophobicContact CB-CZ 3.42Å; H244-F327 VanDerWaalsContact CB-CZ 3.42Å; H244-F327 AromaticContact CD2-CD2 3.88Å; H244-F327 AromaticContact CD2-CE2 2.97Å; H244-F327 WeakPolarHBondContact CD2-CE2 3.35Å; H244-F327 AromaticContact CD2-CZ 3.06Å; H244-F327 WeakPolarHBondContact CD2-CZ 3.04Å; H244-F327 AromaticContact CE1-CD2 3.95Å; H244-F327 AromaticContact CE1-CE2 3.43Å; H244-F327 VanDerWaalsContact CE1-CE2 3.43Å; H244-F327 WeakPolarHBondContact CE1-CE2 2.95Å; H244-F327 AromaticContact CG-CE2 3.04Å; H244-F327 AromaticContact CG-CZ 3.23Å; H244-F327 AromaticContact ND1-CE2 3.35Å; H244-F327 VanDerWaalsContact ND1-CE2 3.35Å; H244-F327 WeakPolarHBondContact ND1-CE2 2.97Å; H244-F327 AromaticContact NE2-CD2 3.7Å; H244-F327 AromaticContact NE2-CE2 3.21Å; H244-F327 WeakPolarHBondContact NE2-CE2 3.25Å; H244-F327 AromaticContact NE2-CZ 3.79Å
245M79.8Confident70.6Confident4 Ų432.5 Ų32.52%0.0217%0.165CC..Hα-helixtrans-60.5-41.3176.1-73-65.8107.600111.8I133 L218 V241 Q242 L248 T249 I260I133-M245 HydrophobicContact CB-CE 4.44Å; I133-M245 HydrophobicContact CG2-CE 3.69Å; I133-M245 HydrophobicContact CG2-SD 3.6Å; I133-M245 VanDerWaalsContact CG2-SD 3.6Å; L218-M245 HydrophobicContact CD1-CG 4.24Å; L218-M245 HydrophobicContact CD1-SD 4.4Å; L218-M245 HydrophobicContact CD2-SD 4.45Å; V241-M245 HydrophobicContact CG1-CG 4.2Å; V241-M245 WeakPolarHBondContact O-CB 3.5Å; V241-M245 WeakPolarHBondContact O-CG 3.47Å; V241-M245 PolarHBondContact O-N 2.72Å; Q242-M245 PolarHBondContact O-N 2.75Å; M245-L248 HydrophobicContact CE-CD1 3.26Å; M245-L248 HydrophobicContact CE-CG 4.22Å; M245-L248 WeakPolarHBondContact O-CB 3.28Å; M245-L248 PolarHBondContact O-N 3Å; M245-L248 HydrophobicContact SD-CD1 4.12Å; M245-T249 PolarHBondContact O-N 3.19Å; M245-T249 VanDerWaalsContact O-N 3.12Å; M245-T249 PolarHBondContact O-OG1 2.97Å; M245-I260 HydrophobicContact CB-CD1 4.27Å; M245-I260 VanDerWaalsContact O-CD1 3.23Å; M245-I260 WeakPolarHBondContact O-CD1 3.28Å
246I78.2Confident70.2Confident3 Ų329.8 Ų29.82%0.01515%0.15CC..Hα-helixtrans-63-47.9173.6-65.6169.4000109.6Q242 A243 H244 L248 T249 F250 I260 V301 I311 L314Q242-I246 HydrophobicContact CG-CD1 4.08Å; Q242-I246 VanDerWaalsContact O-CG1 3.32Å; Q242-I246 WeakPolarHBondContact O-CG1 3.46Å; Q242-I246 PolarHBondContact O-N 3.22Å; A243-I246 PolarHBondContact O-N 3.12Å; H244-I246 VanDerWaalsContact C-N 3.3Å; H244-I246 PolarHBondContact O-N 3.28Å; I246-L248 VanDerWaalsContact C-N 3.31Å; I246-L248 PolarHBondContact O-N 2.88Å; I246-T249 PolarHBondContact O-N 2.93Å; I246-F250 PolarHBondContact O-N 3.5Å; I246-F250 VanDerWaalsContact O-N 3.14Å; I246-I260 HydrophobicContact CB-CD1 4.43Å; I246-I260 HydrophobicContact CG1-CD1 4.03Å; I246-V301 HydrophobicContact CG1-CG2 4.5Å; I246-I311 HydrophobicContact CG2-CD1 4.15Å; I246-I311 HydrophobicContact CG2-CG1 3.84Å; I246-L314 HydrophobicContact CD1-CD1 4.14Å
247M74.5Confident69.8Low56 Ų5626.8 Ų26.828%0.27614%0.141SC..Hα-helixtrans-60-38.4174.9-171.2-171.8-178.700112.3A243 H244 T249 F250 S251 I311A243-M247 VanDerWaalsContact O-CB 3.3Å; A243-M247 WeakPolarHBondContact O-CB 3.42Å; A243-M247 PolarHBondContact O-N 2.81Å; H244-M247 CarbonylContact O-C 3.55Å; H244-M247 WeakPolarHBondContact O-CA 3.47Å; H244-M247 WeakPolarHBondContact O-CB 3.28Å; H244-M247 PolarHBondContact O-N 3.18Å; M247-T249 VanDerWaalsContact C-N 3.31Å; M247-T249 PolarHBondContact O-N 3.45Å; M247-F250 PolarHBondContact O-N 3.25Å; M247-S251 WeakPolarHBondContact O-CA 3.49Å; M247-S251 WeakPolarHBondContact O-CB 3.4Å; M247-S251 PolarHBondContact O-N 3.44Å; M247-I311 HydrophobicContact CB-CG2 4.25Å
248L72.2Confident70Confident2 Ų225.2 Ų25.21%0.0114%0.135CC..Hα-helixtrans-60.5-45.4177.9-72.6-170.7000110.2M134 L137 H244 M245 I246 F250 Y252 T255M134-L248 HydrophobicContact CE-CD2 4.5Å; L137-L248 HydrophobicContact CD2-CB 4.36Å; L137-L248 HydrophobicContact CD2-CD1 3.85Å; H244-L248 VanDerWaalsContact NE2-CD2 3.25Å; H244-L248 WeakPolarHBondContact NE2-CD2 3.45Å; H244-L248 WeakPolarHBondContact O-CB 3.06Å; H244-L248 VanDerWaalsContact O-CG 3.22Å; H244-L248 WeakPolarHBondContact O-CG 3Å; H244-L248 PolarHBondContact O-N 3.46Å; M245-L248 HydrophobicContact CE-CD1 3.26Å; M245-L248 HydrophobicContact CE-CG 4.22Å; M245-L248 WeakPolarHBondContact O-CB 3.28Å; M245-L248 PolarHBondContact O-N 3Å; M245-L248 HydrophobicContact SD-CD1 4.12Å; I246-L248 VanDerWaalsContact C-N 3.31Å; I246-L248 PolarHBondContact O-N 2.88Å; L248-F250 PolarHBondContact O-N 2.96Å; L248-Y252 HydrophobicContact CB-CD2 4.22Å; L248-Y252 HydrophobicContact CD2-CD1 4.44Å; L248-Y252 HydrophobicContact CD2-CD2 3.3Å; L248-Y252 HydrophobicContact CD2-CE1 4.1Å; L248-Y252 HydrophobicContact CD2-CE2 2.9Å; L248-Y252 HydrophobicContact CD2-CG 4.06Å; L248-Y252 HydrophobicContact CG-CD2 4.36Å; L248-Y252 HydrophobicContact CG-CE2 4.26Å; L248-Y252 VanDerWaalsContact O-CB 3.32Å; L248-Y252 WeakPolarHBondContact O-CB 3.39Å; L248-Y252 PolarHBondContact O-N 3.32Å; L248-T255 PolarHBondContact O-OG1 3.4Å
249T68.8Low70.4Confident6 Ų624.4 Ų24.44%0.03713%0.131CC..Hα-helixtrans-67.5-24.9-178.2-58.40000112.1M245 I246 M247 A258 I260M245-T249 PolarHBondContact O-N 3.19Å; M245-T249 VanDerWaalsContact O-N 3.12Å; M245-T249 PolarHBondContact O-OG1 2.97Å; I246-T249 PolarHBondContact O-N 2.93Å; M247-T249 VanDerWaalsContact C-N 3.31Å; M247-T249 PolarHBondContact O-N 3.45Å; T249-A258 VanDerWaalsContact CG2-C 3.42Å; T249-A258 HydrophobicContact CG2-CB 3.66Å; T249-A258 WeakPolarHBondContact CG2-O 3.41Å; T249-I260 HydrophobicContact CG2-CD1 4.27Å; T249-I260 HydrophobicContact CG2-CG1 3.97Å; T249-I260 WeakPolarHBondContact OG1-CD1 2.99Å; T249-I260 WeakPolarHBondContact OG1-CG1 3.33Å
250F66.7Low70.8Confident26 Ų2623.6 Ų23.611%0.11413%0.127CC..Hα-helixtrans-92.5-41.9175.6-175.8-88.6000114.3I205 I246 M247 L248 I308 I311I205-F250 HydrophobicContact CD1-CE2 3.4Å; I205-F250 VanDerWaalsContact CD1-CE2 3.4Å; I205-F250 HydrophobicContact CD1-CZ 3.54Å; I205-F250 HydrophobicContact CG1-CE1 4.5Å; I205-F250 HydrophobicContact CG1-CE2 3.66Å; I205-F250 HydrophobicContact CG1-CZ 3.55Å; I246-F250 PolarHBondContact O-N 3.5Å; I246-F250 VanDerWaalsContact O-N 3.14Å; M247-F250 PolarHBondContact O-N 3.25Å; L248-F250 PolarHBondContact O-N 2.96Å; F250-I308 HydrophobicContact CD1-CG1 4.24Å; F250-I308 HydrophobicContact CE1-CD1 3.85Å; F250-I308 HydrophobicContact CE1-CG1 3.27Å; F250-I308 HydrophobicContact CE2-CG1 4.01Å; F250-I308 HydrophobicContact CZ-CB 4.49Å; F250-I308 HydrophobicContact CZ-CD1 3.69Å; F250-I308 HydrophobicContact CZ-CG1 3.14Å; F250-I311 HydrophobicContact CB-CD1 3.41Å; F250-I311 VanDerWaalsContact CB-CD1 3.41Å; F250-I311 HydrophobicContact CD1-CD1 4.04Å; F250-I311 HydrophobicContact CD2-CD1 4.01Å; F250-I311 HydrophobicContact CG-CD1 3.52Å
251S63.1Low71.4Confident60 Ų6022.6 Ų22.642%0.4212%0.123SC..Hα-helixtrans-100.5-20.2-164-1760000113.6M247 V253M247-S251 WeakPolarHBondContact O-CA 3.49Å; M247-S251 WeakPolarHBondContact O-CB 3.4Å; M247-S251 PolarHBondContact O-N 3.44Å; S251-V253 PolarHBondContact O-N 3.45Å
252Y57.4Low71.9Confident90 Ų9022.6 Ų22.635%0.35312%0.122SC..  trans-85.9112.6-179.4-81.4-115000108.8L248 H254 T255 D256L248-Y252 HydrophobicContact CB-CD2 4.22Å; L248-Y252 HydrophobicContact CD2-CD1 4.44Å; L248-Y252 HydrophobicContact CD2-CD2 3.3Å; L248-Y252 HydrophobicContact CD2-CE1 4.1Å; L248-Y252 HydrophobicContact CD2-CE2 2.9Å; L248-Y252 HydrophobicContact CD2-CG 4.06Å; L248-Y252 HydrophobicContact CG-CD2 4.36Å; L248-Y252 HydrophobicContact CG-CE2 4.26Å; L248-Y252 VanDerWaalsContact O-CB 3.32Å; L248-Y252 WeakPolarHBondContact O-CB 3.39Å; L248-Y252 PolarHBondContact O-N 3.32Å; Y252-H254 PolarHBondContact O-N 2.95Å; Y252-T255 WeakPolarHBondContact CB-OG1 3.49Å; Y252-T255 CarbonylContact O-C 3.46Å; Y252-T255 PolarHBondContact O-N 3.01Å; Y252-T255 PolarHBondContact O-OG1 3.06Å; Y252-D256 VanDerWaalsContact C-OD1 3.3Å; Y252-D256 PolarHBondContact O-N 2.87Å
253V47.5Very low72.2Confident60 Ų6022.2 Ų22.236%0.36412%0.121SC..THydrogen-bonded Turntrans-33.7-31.3173.61750000115.3N208 S251N208-V253 HydrophobicContact CB-CG1 3.72Å; N208-V253 WeakPolarHBondContact CB-O 3.37Å; N208-V253 WeakPolarHBondContact ND2-CG1 3.16Å; S251-V253 PolarHBondContact O-N 3.45Å
254H52.2Low72.6Confident68 Ų6822.4 Ų22.432%0.31512%0.12SC..THydrogen-bonded Turntrans-96.4-12.5-177.9-59-64.4000114.8A141 I210 L214 Y252A141-H254 HydrophobicContact CB-CB 3.9Å; I210-H254 HydrophobicContact CD1-CB 4.33Å; I210-H254 WeakPolarHBondContact CD1-O 3.08Å; L214-H254 WeakPolarHBondContact CD1-O 3.31Å; Y252-H254 PolarHBondContact O-N 2.95Å
255T59.6Low72.4Confident3 Ų322.6 Ų22.62%0.01813%0.127CC..SBendtrans-123.820.2-177.652.50000112.4L137 A141 L214 L248 Y252 G257 A258L137-T255 HydrophobicContact CD1-CG2 4.22Å; L137-T255 HydrophobicContact CG-CG2 4.42Å; A141-T255 HydrophobicContact CB-CG2 4.49Å; L214-T255 HydrophobicContact CD1-CG2 4.06Å; L248-T255 PolarHBondContact O-OG1 3.4Å; Y252-T255 WeakPolarHBondContact CB-OG1 3.49Å; Y252-T255 CarbonylContact O-C 3.46Å; Y252-T255 PolarHBondContact O-N 3.01Å; Y252-T255 PolarHBondContact O-OG1 3.06Å; T255-G257 PolarHBondContact O-N 2.84Å; T255-G257 VanDerWaalsContact O-N 3.15Å; T255-A258 WeakPolarHBondContact O-CB 3.41Å; T255-A258 PolarHBondContact O-N 3.06Å
256D62.4Low72Confident16 Ų1629.4 Ų29.49%0.08616%0.156CC..THydrogen-bonded Turntrans-54.4120.2175.4-65.6-9000109.5L206 S207 Y252L206-D256 HydrophobicContact CD2-CB 4.15Å; L206-D256 WeakPolarHBondContact CD2-O 3.34Å; L206-D256 PolarHBondContact N-OD2 2.69Å; L206-D256 VanDerWaalsContact N-OD2 3.09Å; S207-D256 PolarHBondContact N-OD2 3.43Å; S207-D256 PolarHBondContact OG-OD2 3.49Å; S207-D256 VanDerWaalsContact OG-OD2 3.06Å; Y252-D256 VanDerWaalsContact C-OD1 3.3Å; Y252-D256 PolarHBondContact O-N 2.87Å
257G65.9Low71.5Confident20 Ų2034.1 Ų34.121%0.20618%0.178CC..THydrogen-bonded Turntrans79.122.6178.900000114.6T255 A303T255-G257 PolarHBondContact O-N 2.84Å; T255-G257 VanDerWaalsContact O-N 3.15Å; G257-A303 WeakPolarHBondContact O-CB 3.28Å
258A78.9Confident71.4Confident3 Ų332.9 Ų32.93%0.02518%0.18CC..  trans-70.3158.8167.200000111.7L214 V216 T249 T255L214-A258 HydrophobicContact CB-CB 3.85Å; L214-A258 CarbonylContact O-C 3.53Å; L214-A258 WeakPolarHBondContact O-CA 3.22Å; V216-A258 HydrophobicContact CG2-CB 4.22Å; T249-A258 VanDerWaalsContact CG2-C 3.42Å; T249-A258 HydrophobicContact CG2-CB 3.66Å; T249-A258 WeakPolarHBondContact CG2-O 3.41Å; T255-A258 WeakPolarHBondContact O-CB 3.41Å; T255-A258 PolarHBondContact O-N 3.06Å
259A84.5Confident71.3Confident0 Ų038.7 Ų38.70%020%0.202CC..EExtended strand (participates in β ladder)trans-102.8147.6166.900000110.2L214 I215 V216 Y277 V301 A303L214-A259 PolarHBondContact O-N 3.17Å; I215-A259 CarbonylContact C-O 3.24Å; I215-A259 WeakPolarHBondContact CA-O 3.47Å; I215-A259 HydrophobicContact CG1-CB 4.43Å; I215-A259 HydrophobicContact CG2-CB 4.34Å; V216-A259 PolarHBondContact N-O 3.19Å; A259-Y277 HydrophobicContact CB-CD1 4.35Å; A259-Y277 HydrophobicContact CB-CE1 3.4Å; A259-Y277 WeakPolarHBondContact CB-OH 3.47Å; A259-V301 CarbonylContact C-O 3.35Å; A259-V301 WeakPolarHBondContact CA-O 2.93Å; A259-V301 WeakPolarHBondContact CB-O 3.4Å; A259-A303 HydrophobicContact CB-CB 4.34Å
260I87Confident71.8Confident1 Ų139.6 Ų39.61%0.00521%0.206CC..EExtended strand (participates in β ladder)trans-110.6129.7177.6-55.3174.8000109.2V216 M245 I246 T249 Y262 F300 V301V216-I260 CarbonylContact O-C 3.47Å; V216-I260 WeakPolarHBondContact O-CA 3.45Å; M245-I260 HydrophobicContact CB-CD1 4.27Å; M245-I260 VanDerWaalsContact O-CD1 3.23Å; M245-I260 WeakPolarHBondContact O-CD1 3.28Å; I246-I260 HydrophobicContact CB-CD1 4.43Å; I246-I260 HydrophobicContact CG1-CD1 4.03Å; T249-I260 HydrophobicContact CG2-CD1 4.27Å; T249-I260 HydrophobicContact CG2-CG1 3.97Å; T249-I260 WeakPolarHBondContact OG1-CD1 2.99Å; T249-I260 WeakPolarHBondContact OG1-CG1 3.33Å; I260-Y262 HydrophobicContact CG2-CD1 3.88Å; I260-Y262 HydrophobicContact CG2-CE1 3.55Å; I260-F300 WeakPolarHBondContact O-CA 3.41Å; I260-V301 HydrophobicContact CB-CB 4.34Å; I260-V301 PolarHBondContact N-O 2.96Å; I260-V301 PolarHBondContact O-N 3.34Å
261V88.9Confident72.3Confident0 Ų038.9 Ų38.90%021%0.205CC..EExtended strand (participates in β ladder)trans-133.1123.4173.6-169.50000110.5I215 V216 V217 L218 N270 L274 F300I215-V261 HydrophobicContact CG2-CG2 4.17Å; V216-V261 PolarHBondContact O-N 2.89Å; V217-V261 CarbonylContact C-O 3.55Å; V217-V261 VanDerWaalsContact CA-O 3.26Å; V217-V261 WeakPolarHBondContact CA-O 3.33Å; V217-V261 HydrophobicContact CG2-CB 4.43Å; L218-V261 PolarHBondContact N-O 2.93Å; V261-N270 HydrophobicContact CG1-CB 3.96Å; V261-L274 HydrophobicContact CB-CD1 4.31Å; V261-L274 HydrophobicContact CG1-CB 4.27Å; V261-L274 HydrophobicContact CG2-CD1 3.89Å; V261-F300 HydrophobicContact CB-CD2 4.31Å; V261-F300 HydrophobicContact CG1-CD2 4.08Å; V261-F300 HydrophobicContact CG2-CD2 3.6Å; V261-F300 HydrophobicContact CG2-CE2 3.73Å
262Y89.4Confident73.1Confident4 Ų440 Ų402%0.01621%0.206CC..EExtended strand (participates in β ladder)trans-91.2127.1170.6-73.118.8000107.8M127 L218 I260 N270 V299M127-Y262 HydrophobicContact CE-CE2 4.33Å; L218-Y262 HydrophobicContact CB-CD1 3.69Å; L218-Y262 HydrophobicContact CB-CE1 4.01Å; L218-Y262 HydrophobicContact CB-CG 4.23Å; L218-Y262 HydrophobicContact CD1-CD1 3.79Å; L218-Y262 HydrophobicContact CD1-CE1 3.2Å; L218-Y262 HydrophobicContact CD1-CE2 4.2Å; L218-Y262 VanDerWaalsContact CD1-CZ 3.44Å; L218-Y262 HydrophobicContact CG-CD1 3.75Å; L218-Y262 HydrophobicContact CG-CE1 3.56Å; I260-Y262 HydrophobicContact CG2-CD1 3.88Å; I260-Y262 HydrophobicContact CG2-CE1 3.55Å; Y262-N270 VanDerWaalsContact O-CB 3.26Å; Y262-N270 WeakPolarHBondContact O-CB 3.18Å; Y262-N270 PolarHBondContact O-ND2 3.34Å; Y262-V299 HydrophobicContact CD1-CB 4.1Å; Y262-V299 HydrophobicContact CD2-CB 3.65Å; Y262-V299 HydrophobicContact CD2-CG2 3.63Å; Y262-V299 HydrophobicContact CE1-CB 4.32Å; Y262-V299 HydrophobicContact CE2-CB 3.92Å; Y262-V299 HydrophobicContact CE2-CG2 3.67Å; Y262-V299 HydrophobicContact CG-CB 3.76Å; Y262-V299 HydrophobicContact CG-CG2 4.27Å; Y262-V299 PolarHBondContact N-O 2.9Å
263T87.6Confident74.3Confident6 Ų636.6 Ų36.64%0.03719%0.194CC..  trans-125.7138.3-177.4-179.10000111.3L41 V217 L218 T219 K220 C271L41-T263 HydrophobicContact CD1-CG2 3.79Å; V217-T263 HydrophobicContact CG1-CG2 3.4Å; V217-T263 VanDerWaalsContact CG1-CG2 3.4Å; L218-T263 WeakPolarHBondContact O-CG2 3.38Å; L218-T263 PolarHBondContact O-N 2.9Å; T219-T263 HydrophobicContact CG2-CG2 3.86Å; K220-T263 PolarHBondContact N-O 2.84Å; T263-C271 PolarHBondContact OG1-SG 2.98Å
264N84.2Confident76.1Confident14 Ų1433.8 Ų33.88%0.07518%0.177CC..  trans-115.7118.3176.5-176.4-9000109.8D222 K266 G268D222-N264 WeakPolarHBondContact CB-OD1 3.31Å; N264-K266 VanDerWaalsContact C-N 3.27Å; N264-K266 PolarHBondContact O-N 2.78Å; N264-K266 PolarHBondContact OD1-N 3.17Å; N264-G268 PolarHBondContact O-N 2.9Å
265A72.7Confident77.5Confident33 Ų3332.5 Ų32.527%0.27317%0.17SC..THydrogen-bonded Turntrans-68.6-22.6-178.800000113.7R44R44-A265 PolarHBondContact NH2-O 2.96Å
266K70.9Confident78.5Confident146 Ų14636.2 Ų36.264%0.63519%0.186SC*.THydrogen-bonded Turntrans-78.2-45.6-179.5-73.4178.3177.4148.20112.2D222 N264D222-K266 HydrophobicContact CB-CD 4.07Å; D222-K266 WeakPolarHBondContact OD2-CD 3.19Å; D222-K266 WeakPolarHBondContact OD2-CE 3.2Å; D222-K266 IonicContact OD2-NZ 2.68Å; D222-K266 PolarHBondContact OD2-NZ 3.35Å; N264-K266 VanDerWaalsContact C-N 3.27Å; N264-K266 PolarHBondContact O-N 2.78Å; N264-K266 PolarHBondContact OD1-N 3.17Å
267E68Low79.5Confident102 Ų10235.6 Ų35.648%0.47718%0.183SC..THydrogen-bonded Turntrans-93.3-13.9-175.1-60.7-167.2159.700113R269E267-R269 HydrophobicContact CB-CB 4.44Å; E267-R269 HydrophobicContact CB-CG 3.92Å; E267-R269 PolarHBondContact O-N 3.24Å; E267-R269 VanDerWaalsContact OE2-CD 3.23Å; E267-R269 WeakPolarHBondContact OE2-CD 3.02Å; E267-R269 IonicContact OE2-CZ 3.52Å; E267-R269 IonicContact OE2-NE 3.5Å; E267-R269 PolarHBondContact OE2-NE 3.32Å; E267-R269 IonicContact OE2-NH1 3.04Å; E267-R269 PolarHBondContact OE2-NH1 2.9Å; E267-R269 IonicContact OE2-NH2 3.97Å
268G70.9Confident80.3Confident31 Ų3135 Ų3532%0.3218%0.175SC..  trans63.58.9-175.400000113.4N264 C271N264-G268 PolarHBondContact O-N 2.9Å; G268-C271 PolarHBondContact O-N 3.26Å
269R69.8Low80.3Confident123 Ų12335.7 Ų35.746%0.46418%0.178SC..THydrogen-bonded Turntrans-63.5142175.3-70.1-171.7-172.916612109.6E267 C271E267-R269 HydrophobicContact CB-CB 4.44Å; E267-R269 HydrophobicContact CB-CG 3.92Å; E267-R269 PolarHBondContact O-N 3.24Å; E267-R269 VanDerWaalsContact OE2-CD 3.23Å; E267-R269 WeakPolarHBondContact OE2-CD 3.02Å; E267-R269 IonicContact OE2-CZ 3.52Å; E267-R269 IonicContact OE2-NE 3.5Å; E267-R269 PolarHBondContact OE2-NE 3.32Å; E267-R269 IonicContact OE2-NH1 3.04Å; E267-R269 PolarHBondContact OE2-NH1 2.9Å; E267-R269 IonicContact OE2-NH2 3.97Å; R269-C271 PolarHBondContact O-N 3.45Å
270N79.6Confident80Confident25 Ų2536.8 Ų36.813%0.13418%0.183CC..THydrogen-bonded Turntrans61.9-5.9-175.6-63.6-16.9000117.1V261 Y262 T273 L274 S298V261-N270 HydrophobicContact CG1-CB 3.96Å; Y262-N270 VanDerWaalsContact O-CB 3.26Å; Y262-N270 WeakPolarHBondContact O-CB 3.18Å; Y262-N270 PolarHBondContact O-ND2 3.34Å; N270-T273 PolarHBondContact O-N 3.12Å; N270-L274 WeakPolarHBondContact O-CB 3.02Å; N270-L274 PolarHBondContact O-N 3.27Å; N270-S298 VanDerWaalsContact ND2-CA 3.3Å; N270-S298 WeakPolarHBondContact ND2-CA 3.32Å; N270-S298 WeakPolarHBondContact ND2-CB 3.5Å; N270-S298 PolarHBondContact ND2-O 3.19Å
271C77.8Confident79.5Confident12 Ų1238.2 Ų38.28%0.08119%0.188CC..Hα-helixtrans-64.5-43.1173.2-640000111.6L45 T263 G268 R269 L274 Y275L45-C271 HydrophobicContact CD2-CB 4.34Å; L45-C271 WeakPolarHBondContact CD2-O 3.44Å; T263-C271 PolarHBondContact OG1-SG 2.98Å; G268-C271 PolarHBondContact O-N 3.26Å; R269-C271 PolarHBondContact O-N 3.45Å; C271-L274 PolarHBondContact O-N 3.49Å; C271-Y275 WeakPolarHBondContact O-CB 3.38Å; C271-Y275 PolarHBondContact O-N 3.47Å
272D79.8Confident78.9Confident83 Ų8338.6 Ų38.644%0.44419%0.19SC..Hα-helixtrans-66.9-39.7175.6-177.639.8000111.3Y275 K276D272-Y275 PolarHBondContact O-N 3.45Å; D272-K276 WeakPolarHBondContact O-CB 3.37Å; D272-K276 VanDerWaalsContact O-CG 3.31Å; D272-K276 WeakPolarHBondContact O-CG 3.39Å; D272-K276 PolarHBondContact O-N 3.47Å; D272-K276 WeakPolarHBondContact OD1-CE 3.28Å; D272-K276 IonicContact OD1-NZ 3.71Å; D272-K276 VanDerWaalsContact OD2-CE 3.29Å; D272-K276 WeakPolarHBondContact OD2-CE 3.24Å; D272-K276 IonicContact OD2-NZ 3.36Å; D272-K276 PolarHBondContact OD2-NZ 3.25Å
273T82.5Confident77.9Confident18 Ų1839.8 Ų39.811%0.1120%0.195CC..Hα-helixtrans-61.1-46.2173.8-49.50000111.7N270 K276 Y277 F287 Q289 F300N270-T273 PolarHBondContact O-N 3.12Å; T273-K276 PolarHBondContact O-N 3.28Å; T273-Y277 WeakPolarHBondContact O-CB 3.24Å; T273-Y277 PolarHBondContact O-N 2.86Å; T273-F287 HydrophobicContact CG2-CE2 4.07Å; T273-F287 HydrophobicContact CG2-CZ 3.63Å; T273-Q289 HydrophobicContact CG2-CG 3.94Å; T273-F300 HydrophobicContact CG2-CD1 4.35Å; T273-F300 HydrophobicContact CG2-CD2 3.83Å; T273-F300 HydrophobicContact CG2-CE1 4.4Å; T273-F300 HydrophobicContact CG2-CE2 3.86Å; T273-F300 HydrophobicContact CG2-CG 4.1Å; T273-F300 HydrophobicContact CG2-CZ 4.16Å
274L84.5Confident76.9Confident1 Ų142 Ų421%0.00522%0.219CC..Hα-helixtrans-60.1-46.1175.6176.764.4000111L41 I215 V217 V261 N270 C271 Y277 I278L41-L274 HydrophobicContact CD1-CD2 4.22Å; L41-L274 HydrophobicContact CD2-CD2 4.33Å; I215-L274 HydrophobicContact CG2-CD1 3.83Å; V217-L274 HydrophobicContact CG1-CD2 4.28Å; V217-L274 HydrophobicContact CG2-CD1 3.76Å; V217-L274 HydrophobicContact CG2-CD2 3.83Å; V217-L274 HydrophobicContact CG2-CG 4.48Å; V261-L274 HydrophobicContact CB-CD1 4.31Å; V261-L274 HydrophobicContact CG1-CB 4.27Å; V261-L274 HydrophobicContact CG2-CD1 3.89Å; N270-L274 WeakPolarHBondContact O-CB 3.02Å; N270-L274 PolarHBondContact O-N 3.27Å; C271-L274 PolarHBondContact O-N 3.49Å; L274-Y277 PolarHBondContact O-N 2.98Å; L274-I278 HydrophobicContact CD1-CD1 4.13Å; L274-I278 HydrophobicContact CD1-CG1 4.35Å; L274-I278 HydrophobicContact CG-CD1 3.97Å; L274-I278 VanDerWaalsContact O-CG1 3.29Å; L274-I278 WeakPolarHBondContact O-CG1 3.3Å; L274-I278 PolarHBondContact O-N 2.84Å
275Y82.9Confident75.9Confident42 Ų4242.6 Ų42.617%0.16522%0.221CC..Hα-helixtrans-60.1-51.1178.1-178.4-107.9000111.6L45 L62 I64 C271 D272 Y277 I278 L279L45-Y275 HydrophobicContact CD2-CD2 4.39Å; L62-Y275 HydrophobicContact CD1-CE2 4.16Å; I64-Y275 WeakPolarHBondContact CA-OH 3.44Å; I64-Y275 WeakPolarHBondContact CB-OH 3.13Å; I64-Y275 HydrophobicContact CG1-CE2 4.42Å; I64-Y275 WeakPolarHBondContact CG1-OH 3.37Å; C271-Y275 WeakPolarHBondContact O-CB 3.38Å; C271-Y275 PolarHBondContact O-N 3.47Å; D272-Y275 PolarHBondContact O-N 3.45Å; Y275-Y277 VanDerWaalsContact C-N 3.26Å; Y275-Y277 PolarHBondContact O-N 3.37Å; Y275-I278 PolarHBondContact O-N 2.88Å; Y275-L279 HydrophobicContact CD1-CD1 3.95Å; Y275-L279 HydrophobicContact CE1-CD1 3.57Å; Y275-L279 HydrophobicContact CE1-CG 4.41Å; Y275-L279 WeakPolarHBondContact O-CG 3.3Å; Y275-L279 PolarHBondContact O-N 2.98Å
276K80.4Confident75.1Confident81 Ų8144.3 Ų44.335%0.35223%0.229SC..Hα-helixtrans-58.1-38.6174.4-73.7169.8177.4164.10112.3D272 T273 L279 H280 F287D272-K276 WeakPolarHBondContact O-CB 3.37Å; D272-K276 VanDerWaalsContact O-CG 3.31Å; D272-K276 WeakPolarHBondContact O-CG 3.39Å; D272-K276 PolarHBondContact O-N 3.47Å; D272-K276 WeakPolarHBondContact OD1-CE 3.28Å; D272-K276 IonicContact OD1-NZ 3.71Å; D272-K276 VanDerWaalsContact OD2-CE 3.29Å; D272-K276 WeakPolarHBondContact OD2-CE 3.24Å; D272-K276 IonicContact OD2-NZ 3.36Å; D272-K276 PolarHBondContact OD2-NZ 3.25Å; T273-K276 PolarHBondContact O-N 3.28Å; K276-L279 PolarHBondContact O-N 3.37Å; K276-H280 WeakPolarHBondContact O-CB 3.39Å; K276-H280 PolarHBondContact O-N 3.04Å; K276-F287 HydrophobicContact CB-CD2 4.15Å; K276-F287 HydrophobicContact CB-CE2 4.01Å
277Y83Confident74.8Confident3 Ų338.3 Ų38.31%0.01220%0.203CC..Hα-helixtrans-69.8-37.9178.5-174.4-98.9000112.6I215 A259 T273 L274 Y275 L279 H280 R281 F287 F300 P302 A303I215-Y277 HydrophobicContact CD1-CD1 3.63Å; I215-Y277 HydrophobicContact CD1-CE1 3.74Å; I215-Y277 HydrophobicContact CG1-CD1 4.3Å; I215-Y277 HydrophobicContact CG1-CE1 3.95Å; A259-Y277 HydrophobicContact CB-CD1 4.35Å; A259-Y277 HydrophobicContact CB-CE1 3.4Å; A259-Y277 WeakPolarHBondContact CB-OH 3.47Å; T273-Y277 WeakPolarHBondContact O-CB 3.24Å; T273-Y277 PolarHBondContact O-N 2.86Å; L274-Y277 PolarHBondContact O-N 2.98Å; Y275-Y277 VanDerWaalsContact C-N 3.26Å; Y275-Y277 PolarHBondContact O-N 3.37Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; Y277-H280 WeakPolarHBondContact O-CB 3.44Å; Y277-H280 PolarHBondContact O-N 2.98Å; Y277-R281 HydrophobicContact CD1-CG 4.24Å; Y277-R281 HydrophobicContact CE1-CG 3.83Å; Y277-R281 VanDerWaalsContact CZ-NE 3.34Å; Y277-R281 VanDerWaalsContact O-CG 3.31Å; Y277-R281 WeakPolarHBondContact O-CG 3.5Å; Y277-R281 PolarHBondContact O-N 2.81Å; Y277-R281 PolarHBondContact OH-NE 3.1Å; Y277-R281 PolarHBondContact OH-NH2 3.31Å; Y277-F287 HydrophobicContact CD2-CD1 4.34Å; Y277-F287 HydrophobicContact CD2-CE1 4.13Å; Y277-F287 HydrophobicContact CD2-CZ 4.22Å; Y277-F300 HydrophobicContact CD2-CE2 4.33Å; Y277-F300 AromaticContact CD2-CZ 3.81Å; Y277-F300 HydrophobicContact CD2-CZ 3.81Å; Y277-F300 HydrophobicContact CE2-CZ 4.3Å; Y277-F300 HydrophobicContact CG-CE2 4.26Å; Y277-F300 HydrophobicContact CG-CZ 4.19Å; Y277-P302 HydrophobicContact CE2-CB 3.82Å; Y277-A303 WeakPolarHBondContact OH-CB 3.24Å; Y277-A303 PolarHBondContact OH-N 3.33Å; Y277-A303 VanDerWaalsContact OH-N 3.08Å
278I83.3Confident74.5Confident8 Ų838.2 Ų38.24%0.04121%0.21CC..Hα-helixtrans-62.4-44.6171.8-70165.6000109.8V28 L92 V122 I215 L274 Y275 H280 R281 I282V28-I278 HydrophobicContact CG2-CG2 3.66Å; L92-I278 HydrophobicContact CD2-CG2 4.06Å; V122-I278 HydrophobicContact CG2-CD1 4.21Å; I215-I278 HydrophobicContact CD1-CG1 3.79Å; L274-I278 HydrophobicContact CD1-CD1 4.13Å; L274-I278 HydrophobicContact CD1-CG1 4.35Å; L274-I278 HydrophobicContact CG-CD1 3.97Å; L274-I278 VanDerWaalsContact O-CG1 3.29Å; L274-I278 WeakPolarHBondContact O-CG1 3.3Å; L274-I278 PolarHBondContact O-N 2.84Å; Y275-I278 PolarHBondContact O-N 2.88Å; I278-H280 PolarHBondContact O-N 3.08Å; I278-R281 PolarHBondContact O-N 3Å; I278-R281 VanDerWaalsContact O-N 3.14Å; I278-I282 HydrophobicContact CG2-CD1 3.66Å; I278-I282 HydrophobicContact CG2-CG1 4.37Å; I278-I282 WeakPolarHBondContact O-CG1 3.42Å; I278-I282 PolarHBondContact O-N 2.94Å
279L78.4Confident74.4Confident17 Ų1741.6 Ų41.69%0.08922%0.217CC..Hα-helixtrans-61.9-43.7176.4-66179000112.1I64 Y275 K276 Y277 R281 I282 Y283 F285I64-L279 HydrophobicContact CD1-CD2 3.24Å; I64-L279 HydrophobicContact CG1-CD2 3.74Å; I64-L279 HydrophobicContact CG2-CD1 3.89Å; I64-L279 HydrophobicContact CG2-CD2 4.08Å; Y275-L279 HydrophobicContact CD1-CD1 3.95Å; Y275-L279 HydrophobicContact CE1-CD1 3.57Å; Y275-L279 HydrophobicContact CE1-CG 4.41Å; Y275-L279 WeakPolarHBondContact O-CG 3.3Å; Y275-L279 PolarHBondContact O-N 2.98Å; K276-L279 PolarHBondContact O-N 3.37Å; Y277-L279 VanDerWaalsContact C-N 3.34Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 PolarHBondContact O-N 3.48Å; L279-I282 PolarHBondContact O-N 2.86Å; L279-Y283 HydrophobicContact CD2-CD2 3.93Å; L279-Y283 HydrophobicContact CD2-CE2 3.85Å; L279-Y283 WeakPolarHBondContact O-CB 3.25Å; L279-Y283 PolarHBondContact O-N 3.37Å; L279-F285 HydrophobicContact CB-CD2 3.82Å; L279-F285 HydrophobicContact CB-CE2 4.09Å; L279-F285 WeakPolarHBondContact O-CD2 3.17Å
280H78.7Confident74.4Confident22 Ų2237.9 Ų37.910%0.10221%0.212CC..Hα-helixtrans-56.3-41.7173.1171.5-89.2000111.7F169 K276 Y277 I278 G284 F285 F287F169-H280 AromaticContact CZ-CE1 3.34Å; F169-H280 WeakPolarHBondContact CZ-CE1 3.34Å; F169-H280 AromaticContact CZ-ND1 3.86Å; K276-H280 WeakPolarHBondContact O-CB 3.39Å; K276-H280 PolarHBondContact O-N 3.04Å; Y277-H280 WeakPolarHBondContact O-CB 3.44Å; Y277-H280 PolarHBondContact O-N 2.98Å; I278-H280 PolarHBondContact O-N 3.08Å; H280-G284 WeakPolarHBondContact O-CA 3.2Å; H280-G284 PolarHBondContact O-N 2.82Å; H280-F285 PolarHBondContact CD2-O 2.85Å; H280-F285 VanDerWaalsContact CG-O 3.32Å; H280-F287 HydrophobicContact CB-CB 4.04Å; H280-F287 WeakPolarHBondContact CD2-CB 3.22Å; H280-F287 PolarHBondContact CD2-N 3.18Å; H280-F287 VanDerWaalsContact CD2-N 3.26Å
281R75.9Confident74.4Confident32 Ų3238 Ų3812%0.12121%0.214CC..Hα-helixtrans-73.1-34.5-179.8-72.1-73164.7173.8-6.4113.8V120 F169 Y277 I278 L279 A303V120-R281 HydrophobicContact CG2-CB 3.85Å; F169-R281 VanDerWaalsContact CE1-NH2 3.33Å; Y277-R281 HydrophobicContact CD1-CG 4.24Å; Y277-R281 HydrophobicContact CE1-CG 3.83Å; Y277-R281 VanDerWaalsContact CZ-NE 3.34Å; Y277-R281 VanDerWaalsContact O-CG 3.31Å; Y277-R281 WeakPolarHBondContact O-CG 3.5Å; Y277-R281 PolarHBondContact O-N 2.81Å; Y277-R281 PolarHBondContact OH-NE 3.1Å; Y277-R281 PolarHBondContact OH-NH2 3.31Å; I278-R281 PolarHBondContact O-N 3Å; I278-R281 VanDerWaalsContact O-N 3.14Å; L279-R281 VanDerWaalsContact C-N 3.26Å; L279-R281 PolarHBondContact O-N 3.48Å; R281-A303 PolarHBondContact NH2-O 2.78Å; R281-A303 VanDerWaalsContact NH2-O 3.08Å
282I76.2Confident74.5Confident7 Ų738.7 Ų38.74%0.03622%0.219CC..Hα-helixtrans-84.7-43.2-176.2-67.5178.6000111.9V28 L92 H118 V120 I278 L279V28-I282 HydrophobicContact CG2-CD1 3.81Å; L92-I282 HydrophobicContact CD1-CD1 3.36Å; L92-I282 HydrophobicContact CD1-CG2 4.48Å; L92-I282 HydrophobicContact CD2-CD1 4.36Å; L92-I282 HydrophobicContact CG-CD1 4.46Å; H118-I282 HydrophobicContact CB-CG2 4.06Å; H118-I282 PolarHBondContact ND1-O 3.5Å; V120-I282 HydrophobicContact CB-CD1 4.42Å; V120-I282 HydrophobicContact CB-CG1 4.4Å; V120-I282 HydrophobicContact CG2-CD1 3.97Å; V120-I282 HydrophobicContact CG2-CG1 3.46Å; V120-I282 VanDerWaalsContact CG2-CG1 3.46Å; I278-I282 HydrophobicContact CG2-CD1 3.66Å; I278-I282 HydrophobicContact CG2-CG1 4.37Å; I278-I282 WeakPolarHBondContact O-CG1 3.42Å; I278-I282 PolarHBondContact O-N 2.94Å; L279-I282 PolarHBondContact O-N 2.86Å
283Y69.2Low74.4Confident30 Ų3035.8 Ų35.812%0.11820%0.204CC..Hα-helixtrans-109-6.1-172-62.3-69.9000113.5P24 I64 L90 L279 F285P24-Y283 HydrophobicContact CG-CE1 4.34Å; I64-Y283 HydrophobicContact CD1-CE2 3.77Å; L90-Y283 HydrophobicContact CD1-CE1 4.33Å; L90-Y283 HydrophobicContact CD1-CE2 4.25Å; L90-Y283 HydrophobicContact CD2-CE1 3.65Å; L90-Y283 HydrophobicContact CD2-CE2 4.43Å; L90-Y283 WeakPolarHBondContact CD2-OH 3.31Å; L279-Y283 HydrophobicContact CD2-CD2 3.93Å; L279-Y283 HydrophobicContact CD2-CE2 3.85Å; L279-Y283 WeakPolarHBondContact O-CB 3.25Å; L279-Y283 PolarHBondContact O-N 3.37Å; Y283-F285 VanDerWaalsContact C-N 3.32Å; Y283-F285 HydrophobicContact CD2-CD2 4.39Å; Y283-F285 AromaticContact CD2-CE2 3.61Å; Y283-F285 HydrophobicContact CD2-CE2 3.61Å; Y283-F285 HydrophobicContact CD2-CZ 4.34Å; Y283-F285 HydrophobicContact CG-CD2 4.45Å; Y283-F285 AromaticContact CG-CE2 3.7Å; Y283-F285 HydrophobicContact CG-CE2 3.7Å; Y283-F285 HydrophobicContact CG-CZ 4.1Å; Y283-F285 PolarHBondContact O-N 3.46Å
284G65.9Low74.1Confident53 Ų5343 Ų4355%0.54624%0.241SC..  trans71.720.7179.200000114.6H280H280-G284 WeakPolarHBondContact O-CA 3.2Å; H280-G284 PolarHBondContact O-N 2.82Å
285F62.7Low73.6Confident26 Ų2647.3 Ų47.311%0.11426%0.261CS..  trans-57.2151.4173.3-63.5-59.7000110.7L77 L81 L90 L279 H280 Y283L77-F285 HydrophobicContact CD2-CD1 4.3Å; L77-F285 HydrophobicContact CD2-CE1 3.58Å; L77-F285 HydrophobicContact CD2-CZ 3.93Å; L81-F285 HydrophobicContact CD1-CE1 3.58Å; L81-F285 HydrophobicContact CD1-CZ 3.66Å; L90-F285 HydrophobicContact CD1-CZ 4.35Å; L279-F285 HydrophobicContact CB-CD2 3.82Å; L279-F285 HydrophobicContact CB-CE2 4.09Å; L279-F285 WeakPolarHBondContact O-CD2 3.17Å; H280-F285 PolarHBondContact CD2-O 2.85Å; H280-F285 VanDerWaalsContact CG-O 3.32Å; Y283-F285 VanDerWaalsContact C-N 3.32Å; Y283-F285 HydrophobicContact CD2-CD2 4.39Å; Y283-F285 AromaticContact CD2-CE2 3.61Å; Y283-F285 HydrophobicContact CD2-CE2 3.61Å; Y283-F285 HydrophobicContact CD2-CZ 4.34Å; Y283-F285 HydrophobicContact CG-CD2 4.45Å; Y283-F285 AromaticContact CG-CE2 3.7Å; Y283-F285 HydrophobicContact CG-CE2 3.7Å; Y283-F285 HydrophobicContact CG-CZ 4.1Å; Y283-F285 PolarHBondContact O-N 3.46Å
286P57Low73.1Confident68 Ų6850 Ų5044%0.44227%0.271SS..  trans-76.4131.4172.729.3-33000111.4
287F64.5Low72.9Confident21 Ų2149.3 Ų49.39%0.09227%0.271CS..  trans-115.1113.5-179.3178.4-97.3000109.1T273 K276 Y277 H280 Q289 F300T273-F287 HydrophobicContact CG2-CE2 4.07Å; T273-F287 HydrophobicContact CG2-CZ 3.63Å; K276-F287 HydrophobicContact CB-CD2 4.15Å; K276-F287 HydrophobicContact CB-CE2 4.01Å; Y277-F287 HydrophobicContact CD2-CD1 4.34Å; Y277-F287 HydrophobicContact CD2-CE1 4.13Å; Y277-F287 HydrophobicContact CD2-CZ 4.22Å; H280-F287 HydrophobicContact CB-CB 4.04Å; H280-F287 WeakPolarHBondContact CD2-CB 3.22Å; H280-F287 PolarHBondContact CD2-N 3.18Å; H280-F287 VanDerWaalsContact CD2-N 3.26Å; F287-Q289 HydrophobicContact CD1-CB 4.18Å; F287-Q289 HydrophobicContact CD2-CB 4.4Å; F287-Q289 HydrophobicContact CE1-CB 3.57Å; F287-Q289 HydrophobicContact CE1-CG 4.43Å; F287-Q289 WeakPolarHBondContact CE1-O 3.48Å; F287-Q289 HydrophobicContact CE2-CB 3.82Å; F287-Q289 HydrophobicContact CZ-CB 3.4Å; F287-Q289 HydrophobicContact CZ-CG 4.05Å; F287-F300 AromaticContact CE1-CE1 3.48Å; F287-F300 HydrophobicContact CE1-CE1 3.48Å; F287-F300 VanDerWaalsContact CE1-CE1 3.48Å; F287-F300 AromaticContact CE1-CZ 3.47Å; F287-F300 HydrophobicContact CE1-CZ 3.47Å; F287-F300 VanDerWaalsContact CE1-CZ 3.47Å; F287-F300 AromaticContact CZ-CE1 3.69Å; F287-F300 HydrophobicContact CZ-CE1 3.69Å; F287-F300 HydrophobicContact CZ-CE2 4.23Å; F287-F300 AromaticContact CZ-CZ 3.41Å; F287-F300 HydrophobicContact CZ-CZ 3.41Å; F287-F300 VanDerWaalsContact CZ-CZ 3.41Å
288T60.9Low72.7Confident100 Ų10049.5 Ų49.561%0.61327%0.273SS*.  trans-100.24.3-174.3530000113.1A290T288-A290 PolarHBondContact O-N 2.9Å
289Q69.3Low72.8Confident102 Ų10249.1 Ų49.148%0.47727%0.271SS..PPolyproline II helixtrans-74.4124.5-178.4-177.365.346.200110T273 F287T273-Q289 HydrophobicContact CG2-CG 3.94Å; F287-Q289 HydrophobicContact CD1-CB 4.18Å; F287-Q289 HydrophobicContact CD2-CB 4.4Å; F287-Q289 HydrophobicContact CE1-CB 3.57Å; F287-Q289 HydrophobicContact CE1-CG 4.43Å; F287-Q289 WeakPolarHBondContact CE1-O 3.48Å; F287-Q289 HydrophobicContact CE2-CB 3.82Å; F287-Q289 HydrophobicContact CZ-CB 3.4Å; F287-Q289 HydrophobicContact CZ-CG 4.05Å
290A69.5Low73.2Confident44 Ų4448.4 Ų48.436%0.36427%0.267SS..PPolyproline II helixtrans-67.7153.4178.500000112L177 T288 S292L177-A290 HydrophobicContact CD2-CB 4.16Å; T288-A290 PolarHBondContact O-N 2.9Å; A290-S292 PolarHBondContact O-N 3.5Å
291V79.8Confident73.4Confident27 Ų2747.4 Ų47.416%0.16426%0.263CS..PPolyproline II helixtrans-61.6129.1172.7178.90000109.9V293 F300 V301 P302 W305V291-V293 HydrophobicContact CG1-CG2 3.62Å; V291-F300 WeakPolarHBondContact CG1-O 3.23Å; V291-V301 HydrophobicContact CG1-CG2 4.43Å; V291-P302 HydrophobicContact CG2-CG 3.66Å; V291-W305 HydrophobicContact CB-CD2 4.06Å; V291-W305 HydrophobicContact CB-CG 4.33Å; V291-W305 HydrophobicContact CB-CZ2 4.16Å; V291-W305 HydrophobicContact CG1-CD2 3.68Å; V291-W305 HydrophobicContact CG1-CE3 3.76Å; V291-W305 HydrophobicContact CG1-CG 4.33Å; V291-W305 HydrophobicContact CG1-CH2 3.88Å; V291-W305 HydrophobicContact CG1-CZ2 3.79Å; V291-W305 HydrophobicContact CG1-CZ3 3.87Å; V291-W305 HydrophobicContact CG2-CB 4.05Å; V291-W305 HydrophobicContact CG2-CD2 3.65Å; V291-W305 HydrophobicContact CG2-CE3 4.49Å; V291-W305 HydrophobicContact CG2-CG 3.41Å; V291-W305 VanDerWaalsContact CG2-CG 3.41Å
292S79.7Confident73.7Confident28 Ų2846 Ų4620%0.19626%0.257CS..BIsolated β-bridgetrans-110.996.7175-174.60000108.1A290 S298 V299 F300A290-S292 PolarHBondContact O-N 3.5Å; S292-S298 PolarHBondContact OG-O 3.21Å; S292-V299 CarbonylContact O-C 3.49Å; S292-V299 WeakPolarHBondContact O-CA 3.5Å; S292-F300 PolarHBondContact N-O 3.19Å; S292-F300 PolarHBondContact O-N 2.81Å
293V78Confident73.7Confident22 Ų2245.8 Ų45.813%0.13326%0.257CS..  trans-108.1-10.1172.8171.20000110.9Q242 V291 V301 W305 L314Q242-V293 PolarHBondContact NE2-O 2.86Å; V291-V293 HydrophobicContact CG1-CG2 3.62Å; V293-V301 HydrophobicContact CG2-CG2 3.68Å; V293-W305 HydrophobicContact CG2-CH2 4.03Å; V293-W305 HydrophobicContact CG2-CZ3 3.89Å; V293-L314 HydrophobicContact CG1-CD1 4.42Å; V293-L314 HydrophobicContact CG1-CD2 4.14Å
294L75.6Confident73.6Confident169 Ų16945.4 Ų45.489%0.88526%0.262SS*.SBendtrans-75.3-34.6-176-63174.7000112.8
295E75.6Confident73.8Confident92 Ų9244.6 Ų44.643%0.4324%0.243SC..  trans-94.2112.7-177.8-71.8-172.8-172.400110.4D297 S298 V299E295-D297 PolarHBondContact O-N 2.8Å; E295-S298 WeakPolarHBondContact CB-OG 3.09Å; E295-S298 CarbonylContact O-C 3.24Å; E295-S298 PolarHBondContact O-N 2.68Å; E295-S298 VanDerWaalsContact O-N 3.13Å; E295-S298 PolarHBondContact OE2-OG 3.39Å; E295-V299 VanDerWaalsContact O-CG2 3.24Å; E295-V299 WeakPolarHBondContact O-CG2 3.45Å; E295-V299 PolarHBondContact O-N 3.18Å
296R72.6Confident74.1Confident99 Ų9944.2 Ų44.237%0.37424%0.242SC..THydrogen-bonded Turntrans-60-28.9-178-62178.4-177.9164.2-1.6113.2D235 D239D235-R296 IonicContact OD1-NH1 2.6Å; D235-R296 PolarHBondContact OD1-NH1 2.72Å; D235-R296 IonicContact OD2-CZ 3.88Å; D235-R296 VanDerWaalsContact OD2-CZ 3.28Å; D235-R296 IonicContact OD2-NH1 3.42Å; D235-R296 PolarHBondContact OD2-NH1 3.03Å; D235-R296 IonicContact OD2-NH2 2.75Å; D235-R296 PolarHBondContact OD2-NH2 3.33Å; D239-R296 IonicContact OD1-NE 3.05Å
297D75Confident74.7Confident66 Ų6644.1 Ų44.135%0.35324%0.24SC..THydrogen-bonded Turntrans-90.8-16-178.754.6-27.6000113.5E295E295-D297 PolarHBondContact O-N 2.8Å
298S78.8Confident74.9Confident6 Ų645.9 Ų45.94%0.04225%0.25CC..SBendtrans-134.339-173.589.70000113.4N270 S292 E295 F300N270-S298 VanDerWaalsContact ND2-CA 3.3Å; N270-S298 WeakPolarHBondContact ND2-CA 3.32Å; N270-S298 WeakPolarHBondContact ND2-CB 3.5Å; N270-S298 PolarHBondContact ND2-O 3.19Å; S292-S298 PolarHBondContact OG-O 3.21Å; E295-S298 WeakPolarHBondContact CB-OG 3.09Å; E295-S298 CarbonylContact O-C 3.24Å; E295-S298 PolarHBondContact O-N 2.68Å; E295-S298 VanDerWaalsContact O-N 3.13Å; E295-S298 PolarHBondContact OE2-OG 3.39Å; S298-F300 PolarHBondContact O-N 3.44Å
299V85.5Confident75.3Confident1 Ų146.2 Ų46.21%0.00625%0.248CC..  trans-61.3126.7178.6-174.10000111.9Q242 Y262 S292 E295 V301Q242-V299 HydrophobicContact CG-CG2 4.33Å; Y262-V299 HydrophobicContact CD1-CB 4.1Å; Y262-V299 HydrophobicContact CD2-CB 3.65Å; Y262-V299 HydrophobicContact CD2-CG2 3.63Å; Y262-V299 HydrophobicContact CE1-CB 4.32Å; Y262-V299 HydrophobicContact CE2-CB 3.92Å; Y262-V299 HydrophobicContact CE2-CG2 3.67Å; Y262-V299 HydrophobicContact CG-CB 3.76Å; Y262-V299 HydrophobicContact CG-CG2 4.27Å; Y262-V299 PolarHBondContact N-O 2.9Å; S292-V299 CarbonylContact O-C 3.49Å; S292-V299 WeakPolarHBondContact O-CA 3.5Å; E295-V299 VanDerWaalsContact O-CG2 3.24Å; E295-V299 WeakPolarHBondContact O-CG2 3.45Å; E295-V299 PolarHBondContact O-N 3.18Å; V299-V301 HydrophobicContact CG1-CG2 4.05Å
300F86.8Confident75.3Confident2 Ų243.9 Ų43.91%0.00924%0.236CC..EExtended strand (participates in β ladder)trans-134.5116.7173.2174.8-96.5000109.6I260 V261 T273 Y277 F287 V291 S292 S298 P302I260-F300 WeakPolarHBondContact O-CA 3.41Å; V261-F300 HydrophobicContact CB-CD2 4.31Å; V261-F300 HydrophobicContact CG1-CD2 4.08Å; V261-F300 HydrophobicContact CG2-CD2 3.6Å; V261-F300 HydrophobicContact CG2-CE2 3.73Å; T273-F300 HydrophobicContact CG2-CD1 4.35Å; T273-F300 HydrophobicContact CG2-CD2 3.83Å; T273-F300 HydrophobicContact CG2-CE1 4.4Å; T273-F300 HydrophobicContact CG2-CE2 3.86Å; T273-F300 HydrophobicContact CG2-CG 4.1Å; T273-F300 HydrophobicContact CG2-CZ 4.16Å; Y277-F300 HydrophobicContact CD2-CE2 4.33Å; Y277-F300 AromaticContact CD2-CZ 3.81Å; Y277-F300 HydrophobicContact CD2-CZ 3.81Å; Y277-F300 HydrophobicContact CE2-CZ 4.3Å; Y277-F300 HydrophobicContact CG-CE2 4.26Å; Y277-F300 HydrophobicContact CG-CZ 4.19Å; F287-F300 AromaticContact CE1-CE1 3.48Å; F287-F300 HydrophobicContact CE1-CE1 3.48Å; F287-F300 VanDerWaalsContact CE1-CE1 3.48Å; F287-F300 AromaticContact CE1-CZ 3.47Å; F287-F300 HydrophobicContact CE1-CZ 3.47Å; F287-F300 VanDerWaalsContact CE1-CZ 3.47Å; F287-F300 AromaticContact CZ-CE1 3.69Å; F287-F300 HydrophobicContact CZ-CE1 3.69Å; F287-F300 HydrophobicContact CZ-CE2 4.23Å; F287-F300 AromaticContact CZ-CZ 3.41Å; F287-F300 HydrophobicContact CZ-CZ 3.41Å; F287-F300 VanDerWaalsContact CZ-CZ 3.41Å; V291-F300 WeakPolarHBondContact CG1-O 3.23Å; S292-F300 PolarHBondContact N-O 3.19Å; S292-F300 PolarHBondContact O-N 2.81Å; S298-F300 PolarHBondContact O-N 3.44Å; F300-P302 HydrophobicContact CE1-CB 4Å; F300-P302 HydrophobicContact CE1-CG 4.04Å; F300-P302 HydrophobicContact CZ-CB 4.04Å
301V83.8Confident75.3Confident1 Ų142.2 Ų42.21%0.00622%0.221CC..EExtended strand (participates in β ladder)trans-125.3109.7177.6-175.20000109.1I246 A259 I260 V291 V293 V299 W305 D306I246-V301 HydrophobicContact CG1-CG2 4.5Å; A259-V301 CarbonylContact C-O 3.35Å; A259-V301 WeakPolarHBondContact CA-O 2.93Å; A259-V301 WeakPolarHBondContact CB-O 3.4Å; I260-V301 HydrophobicContact CB-CB 4.34Å; I260-V301 PolarHBondContact N-O 2.96Å; I260-V301 PolarHBondContact O-N 3.34Å; V291-V301 HydrophobicContact CG1-CG2 4.43Å; V293-V301 HydrophobicContact CG2-CG2 3.68Å; V299-V301 HydrophobicContact CG1-CG2 4.05Å; V301-W305 HydrophobicContact CG1-CE3 3.96Å; V301-D306 WeakPolarHBondContact CG1-OD1 3.27Å; V301-D306 VanDerWaalsContact CG1-OD2 3.24Å; V301-D306 WeakPolarHBondContact CG1-OD2 3.41Å
302P81.3Confident74.8Confident1 Ų146.2 Ų46.21%0.00624%0.237CC..  trans-74.4150.4176.330.8-32.5000111Y173 Y277 V291 F300 G304 W305Y173-P302 WeakPolarHBondContact OH-CG 3.4Å; Y277-P302 HydrophobicContact CE2-CB 3.82Å; V291-P302 HydrophobicContact CG2-CG 3.66Å; F300-P302 HydrophobicContact CE1-CB 4Å; F300-P302 HydrophobicContact CE1-CG 4.04Å; F300-P302 HydrophobicContact CZ-CB 4.04Å; P302-G304 PolarHBondContact O-N 3.34Å; P302-W305 HydrophobicContact CG-CB 4.06Å; P302-W305 PolarHBondContact O-N 3.3Å
303A75.4Confident74.5Confident4 Ų449.6 Ų49.63%0.03325%0.251CS..THydrogen-bonded Turntrans-65.4122.6177.200000110.5G257 A259 Y277 R281G257-A303 WeakPolarHBondContact O-CB 3.28Å; A259-A303 HydrophobicContact CB-CB 4.34Å; Y277-A303 WeakPolarHBondContact OH-CB 3.24Å; Y277-A303 PolarHBondContact OH-N 3.33Å; Y277-A303 VanDerWaalsContact OH-N 3.08Å; R281-A303 PolarHBondContact NH2-O 2.78Å; R281-A303 VanDerWaalsContact NH2-O 3.08Å
304G68.1Low74Confident22 Ų2250 Ų5023%0.22725%0.253CS..THydrogen-bonded Turntrans111.2-12-176.700000114.9Y173 P302Y173-G304 VanDerWaalsContact CD1-C 3.48Å; Y173-G304 WeakPolarHBondContact CD1-O 3.21Å; Y173-G304 VanDerWaalsContact CE1-C 3.48Å; P302-G304 PolarHBondContact O-N 3.34Å
305W70.9Confident73.5Confident35 Ų3543.7 Ų43.713%0.13322%0.219CC..  trans-81.6-26.7179.1-173.380.2000114.3Y173 V291 V293 V301 P302 T307 K310Y173-W305 HydrophobicContact CE1-CB 4.39Å; V291-W305 HydrophobicContact CB-CD2 4.06Å; V291-W305 HydrophobicContact CB-CG 4.33Å; V291-W305 HydrophobicContact CB-CZ2 4.16Å; V291-W305 HydrophobicContact CG1-CD2 3.68Å; V291-W305 HydrophobicContact CG1-CE3 3.76Å; V291-W305 HydrophobicContact CG1-CG 4.33Å; V291-W305 HydrophobicContact CG1-CH2 3.88Å; V291-W305 HydrophobicContact CG1-CZ2 3.79Å; V291-W305 HydrophobicContact CG1-CZ3 3.87Å; V291-W305 HydrophobicContact CG2-CB 4.05Å; V291-W305 HydrophobicContact CG2-CD2 3.65Å; V291-W305 HydrophobicContact CG2-CE3 4.49Å; V291-W305 HydrophobicContact CG2-CG 3.41Å; V291-W305 VanDerWaalsContact CG2-CG 3.41Å; V293-W305 HydrophobicContact CG2-CH2 4.03Å; V293-W305 HydrophobicContact CG2-CZ3 3.89Å; V301-W305 HydrophobicContact CG1-CE3 3.96Å; P302-W305 HydrophobicContact CG-CB 4.06Å; P302-W305 PolarHBondContact O-N 3.3Å; W305-T307 PolarHBondContact O-N 3.24Å; W305-K310 HydrophobicContact CH2-CD 4.43Å; W305-K310 HydrophobicContact CZ2-CD 4.4Å; W305-K310 PolarHBondContact O-NZ 3.31Å
306D67.4Low72.9Confident18 Ų1846.7 Ų46.710%0.09623%0.232CC..  trans-81.4112.1-174.1-70-35.4000111.9V301 I311V301-D306 WeakPolarHBondContact CG1-OD1 3.27Å; V301-D306 VanDerWaalsContact CG1-OD2 3.24Å; V301-D306 WeakPolarHBondContact CG1-OD2 3.41Å; D306-I311 HydrophobicContact CB-CD1 4.23Å; D306-I311 HydrophobicContact CB-CG1 4.42Å
307T69.6Low72.5Confident66 Ų6646.6 Ų46.641%0.40524%0.243SC..  trans-97.9144.5164.2-470000108.9W305 N309 K310 I311W305-T307 PolarHBondContact O-N 3.24Å; T307-N309 HydrophobicContact CG2-CB 4.3Å; T307-N309 PolarHBondContact O-N 3.05Å; T307-K310 WeakPolarHBondContact O-CA 3.27Å; T307-K310 WeakPolarHBondContact O-CB 3.33Å; T307-K310 PolarHBondContact O-N 2.86Å; T307-I311 PolarHBondContact O-N 2.85Å; T307-I311 VanDerWaalsContact O-N 3.08Å
308I69.8Low71.7Confident58 Ų5846.7 Ų46.730%0.29724%0.24SC..Hα-helixtrans-44.8-41.3173.9-60.2169.3000111.6F250 I311 K312F250-I308 HydrophobicContact CD1-CG1 4.24Å; F250-I308 HydrophobicContact CE1-CD1 3.85Å; F250-I308 HydrophobicContact CE1-CG1 3.27Å; F250-I308 HydrophobicContact CE2-CG1 4.01Å; F250-I308 HydrophobicContact CZ-CB 4.49Å; F250-I308 HydrophobicContact CZ-CD1 3.69Å; F250-I308 HydrophobicContact CZ-CG1 3.14Å; I308-I311 PolarHBondContact O-N 2.97Å; I308-K312 HydrophobicContact CG2-CD 4.07Å; I308-K312 HydrophobicContact CG2-CG 4.34Å; I308-K312 WeakPolarHBondContact O-CB 3.24Å; I308-K312 WeakPolarHBondContact O-CG 3.5Å; I308-K312 PolarHBondContact O-N 3.45Å
309N67.8Low70.4Confident108 Ų10847.8 Ų47.858%0.57825%0.247SC*.Hα-helixtrans-64.7-41.6-179.7-62.6-14000112.2T307 I311 K312 I313T307-N309 HydrophobicContact CG2-CB 4.3Å; T307-N309 PolarHBondContact O-N 3.05Å; N309-I311 VanDerWaalsContact C-N 3.34Å; N309-K312 PolarHBondContact O-N 3.16Å; N309-I313 WeakPolarHBondContact O-CB 3.31Å; N309-I313 WeakPolarHBondContact O-CD1 3.34Å; N309-I313 WeakPolarHBondContact O-CG1 3.34Å; N309-I313 PolarHBondContact O-N 3.48Å
310K69.7Low68.6Low52 Ų5253.5 Ų53.523%0.22629%0.287CS..Hα-helixtrans-64.1-43.1175.7-63.5-177.4-172.8174.50110.2E175 W305 T307 K312 I313 L314E175-K310 IonicContact OE1-NZ 2.76Å; E175-K310 PolarHBondContact OE1-NZ 3.34Å; E175-K310 IonicContact OE2-NZ 3.14Å; E175-K310 PolarHBondContact OE2-NZ 3.46Å; W305-K310 HydrophobicContact CH2-CD 4.43Å; W305-K310 HydrophobicContact CZ2-CD 4.4Å; W305-K310 PolarHBondContact O-NZ 3.31Å; T307-K310 WeakPolarHBondContact O-CA 3.27Å; T307-K310 WeakPolarHBondContact O-CB 3.33Å; T307-K310 PolarHBondContact O-N 2.86Å; K310-K312 PolarHBondContact O-N 3.47Å; K310-I313 PolarHBondContact O-N 3.49Å; K310-L314 VanDerWaalsContact O-CG 3.22Å; K310-L314 WeakPolarHBondContact O-CG 3.4Å; K310-L314 PolarHBondContact O-N 2.87Å
311I70.4Confident66.9Low9 Ų956.7 Ų56.75%0.04631%0.306CS..Hα-helixtrans-61.4-46.8177.7-55.1177.6000110.7I246 M247 F250 D306 T307 I308 N309 I313 L314 E315I246-I311 HydrophobicContact CG2-CD1 4.15Å; I246-I311 HydrophobicContact CG2-CG1 3.84Å; M247-I311 HydrophobicContact CB-CG2 4.25Å; F250-I311 HydrophobicContact CB-CD1 3.41Å; F250-I311 VanDerWaalsContact CB-CD1 3.41Å; F250-I311 HydrophobicContact CD1-CD1 4.04Å; F250-I311 HydrophobicContact CD2-CD1 4.01Å; F250-I311 HydrophobicContact CG-CD1 3.52Å; D306-I311 HydrophobicContact CB-CD1 4.23Å; D306-I311 HydrophobicContact CB-CG1 4.42Å; T307-I311 PolarHBondContact O-N 2.85Å; T307-I311 VanDerWaalsContact O-N 3.08Å; I308-I311 PolarHBondContact O-N 2.97Å; N309-I311 VanDerWaalsContact C-N 3.34Å; I311-I313 PolarHBondContact O-N 3.37Å; I311-L314 PolarHBondContact O-N 3.44Å; I311-E315 WeakPolarHBondContact O-CB 2.96Å; I311-E315 PolarHBondContact O-N 3.42Å
312K69.4Low65Low112 Ų11260.5 Ų60.549%0.48733%0.333SS..Hα-helixtrans-62.1-41.2176.9-75.3-179.6179.2179.80112.3I308 N309 K310 L314 E315 E316I308-K312 HydrophobicContact CG2-CD 4.07Å; I308-K312 HydrophobicContact CG2-CG 4.34Å; I308-K312 WeakPolarHBondContact O-CB 3.24Å; I308-K312 WeakPolarHBondContact O-CG 3.5Å; I308-K312 PolarHBondContact O-N 3.45Å; N309-K312 PolarHBondContact O-N 3.16Å; K310-K312 PolarHBondContact O-N 3.47Å; K312-L314 VanDerWaalsContact C-N 3.33Å; K312-L314 PolarHBondContact O-N 2.98Å; K312-E315 PolarHBondContact O-N 3.5Å; K312-E316 VanDerWaalsContact O-CB 3.3Å; K312-E316 WeakPolarHBondContact O-CB 3.11Å; K312-E316 VanDerWaalsContact O-CG 3.24Å; K312-E316 WeakPolarHBondContact O-CG 3.41Å; K312-E316 PolarHBondContact O-N 3.29Å
313I72.5Confident63.4Low98 Ų9863.3 Ų63.350%0.50335%0.353SS..Hα-helixtrans-63.5-42176.1-68.7161.7000110.5N309 K310 I311 E316 T317N309-I313 WeakPolarHBondContact O-CB 3.31Å; N309-I313 WeakPolarHBondContact O-CD1 3.34Å; N309-I313 WeakPolarHBondContact O-CG1 3.34Å; N309-I313 PolarHBondContact O-N 3.48Å; K310-I313 PolarHBondContact O-N 3.49Å; I311-I313 PolarHBondContact O-N 3.37Å; I313-E316 PolarHBondContact O-N 3.45Å; I313-T317 VanDerWaalsContact O-CB 3.24Å; I313-T317 WeakPolarHBondContact O-CB 3.41Å; I313-T317 PolarHBondContact O-N 2.93Å; I313-T317 PolarHBondContact O-OG1 2.77Å
314L67.7Low62.1Low31 Ų3169.1 Ų69.116%0.16239%0.388CS..Hα-helixtrans-62.5-48.8175.5-65167.2000109.6I246 V293 K310 I311 K312 E316 T317 F318I246-L314 HydrophobicContact CD1-CD1 4.14Å; V293-L314 HydrophobicContact CG1-CD1 4.42Å; V293-L314 HydrophobicContact CG1-CD2 4.14Å; K310-L314 VanDerWaalsContact O-CG 3.22Å; K310-L314 WeakPolarHBondContact O-CG 3.4Å; K310-L314 PolarHBondContact O-N 2.87Å; I311-L314 PolarHBondContact O-N 3.44Å; K312-L314 VanDerWaalsContact C-N 3.33Å; K312-L314 PolarHBondContact O-N 2.98Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-E316 PolarHBondContact O-N 2.87Å; L314-T317 PolarHBondContact O-N 3.35Å; L314-T317 VanDerWaalsContact O-N 3.12Å; L314-F318 HydrophobicContact CB-CD2 4.05Å; L314-F318 HydrophobicContact CB-CE2 3.97Å; L314-F318 HydrophobicContact CD2-CE2 3.63Å; L314-F318 HydrophobicContact CD2-CZ 4.41Å; L314-F318 HydrophobicContact CG-CE2 4.39Å; L314-F318 WeakPolarHBondContact O-CB 3.25Å; L314-F318 WeakPolarHBondContact O-CD2 2.88Å; L314-F318 WeakPolarHBondContact O-CG 3.3Å; L314-F318 PolarHBondContact O-N 3.34Å
315E65.2Low61Low37 Ų3772.6 Ų72.617%0.17340%0.399CS..Hα-helixtrans-58.6-44178.4-167.5173.2-157.900112.8I311 K312 F318 V319 S323I311-E315 WeakPolarHBondContact O-CB 2.96Å; I311-E315 PolarHBondContact O-N 3.42Å; K312-E315 PolarHBondContact O-N 3.5Å; E315-F318 PolarHBondContact O-N 3.45Å; E315-V319 PolarHBondContact O-N 2.94Å; E315-V319 VanDerWaalsContact O-N 3.1Å; E315-S323 VanDerWaalsContact OE1-CA 3.3Å; E315-S323 WeakPolarHBondContact OE1-CA 3.21Å; E315-S323 WeakPolarHBondContact OE1-CB 3.43Å; E315-S323 PolarHBondContact OE1-OG 3.13Å; E315-S323 PolarHBondContact OE2-OG 2.98Å
316E63.8Low59.9Low154 Ų15474.8 Ų74.872%0.7242%0.419SS*.Hα-helixtrans-66.7-35175.7-75.1175.9-170.800112.7K312 I313 L314 F318K312-E316 VanDerWaalsContact O-CB 3.3Å; K312-E316 WeakPolarHBondContact O-CB 3.11Å; K312-E316 VanDerWaalsContact O-CG 3.24Å; K312-E316 WeakPolarHBondContact O-CG 3.41Å; K312-E316 PolarHBondContact O-N 3.29Å; I313-E316 PolarHBondContact O-N 3.45Å; L314-E316 VanDerWaalsContact C-N 3.34Å; L314-E316 PolarHBondContact O-N 2.87Å; E316-F318 VanDerWaalsContact C-N 3.33Å
317T62.9Low59.2Low97 Ų9775 Ų7560%0.59542%0.419SS*.Hα-helixtrans-72-30.6178.4-58.10000111.4I313 L314I313-T317 VanDerWaalsContact O-CB 3.24Å; I313-T317 WeakPolarHBondContact O-CB 3.41Å; I313-T317 PolarHBondContact O-N 2.93Å; I313-T317 PolarHBondContact O-OG1 2.77Å; L314-T317 PolarHBondContact O-N 3.35Å; L314-T317 VanDerWaalsContact O-N 3.12Å
318F58Low58.3Low68 Ų6878.4 Ų78.430%0.29843%0.43SS..Hα-helixtrans-105.4-19.3-166.8-67.6-53.9000115.6D239 L314 E315 E316D239-F318 HydrophobicContact CB-CB 3.76Å; D239-F318 HydrophobicContact CB-CD1 3.96Å; D239-F318 HydrophobicContact CB-CG 3.88Å; L314-F318 HydrophobicContact CB-CD2 4.05Å; L314-F318 HydrophobicContact CB-CE2 3.97Å; L314-F318 HydrophobicContact CD2-CE2 3.63Å; L314-F318 HydrophobicContact CD2-CZ 4.41Å; L314-F318 HydrophobicContact CG-CE2 4.39Å; L314-F318 WeakPolarHBondContact O-CB 3.25Å; L314-F318 WeakPolarHBondContact O-CD2 2.88Å; L314-F318 WeakPolarHBondContact O-CG 3.3Å; L314-F318 PolarHBondContact O-N 3.34Å; E315-F318 PolarHBondContact O-N 3.45Å; E316-F318 VanDerWaalsContact C-N 3.33Å
319V53.2Low57.3Low29 Ų2982.3 Ų82.318%0.17645%0.445CS..  trans-144119.4-171.3-159.70000113F240 E315 V321F240-V319 HydrophobicContact CB-CG2 4.35Å; F240-V319 HydrophobicContact CD2-CG2 4.38Å; E315-V319 PolarHBondContact O-N 2.94Å; E315-V319 VanDerWaalsContact O-N 3.1Å; V319-V321 HydrophobicContact CG1-CB 3.53Å; V319-V321 HydrophobicContact CG1-CG2 4.02Å; V319-V321 WeakPolarHBondContact CG1-O 3.06Å; V319-V321 PolarHBondContact O-N 2.77Å
320S47.7Very low56.3Low121 Ų12179.6 Ų79.685%0.84643%0.434SS*.SBendtrans-73.724.8164.364.20000113.2
321V50.9Low55.8Low69 Ų6977.7 Ų77.742%0.41843%0.426SS..SBendtrans-140.5120.1-172.3-172.70000108.2V319V319-V321 HydrophobicContact CG1-CB 3.53Å; V319-V321 HydrophobicContact CG1-CG2 4.02Å; V319-V321 WeakPolarHBondContact CG1-O 3.06Å; V319-V321 PolarHBondContact O-N 2.77Å
322S42.2Very low54.9Low81 Ų8187.7 Ų87.757%0.56646%0.463SS*.  trans-58.6135-175.747.90000114.1T324 E325S322-T324 PolarHBondContact O-N 2.77Å; S322-E325 PolarHBondContact O-N 3.06Å
323S48.8Very low54.2Low61 Ų6187.5 Ų87.543%0.42746%0.463SS..THydrogen-bonded Turntrans-40.217.9171.2-31.90000119.4E315E315-S323 VanDerWaalsContact OE1-CA 3.3Å; E315-S323 WeakPolarHBondContact OE1-CA 3.21Å; E315-S323 WeakPolarHBondContact OE1-CB 3.43Å; E315-S323 PolarHBondContact OE1-OG 3.13Å; E315-S323 PolarHBondContact OE2-OG 2.98Å
324T47.3Very low53Low126 Ų12684.6 Ų84.677%0.77345%0.45SS*.THydrogen-bonded Turntrans-143.3-2.2-169.1-31.70000113.5S322S322-T324 PolarHBondContact O-N 2.77Å
325E45.9Very low52Low95 Ų9587.6 Ų87.644%0.44448%0.48SS..SBendtrans-80.6127.3171-70.5-147.3147.700111.3S322 K329S322-E325 PolarHBondContact O-N 3.06Å; E325-K329 VanDerWaalsContact CD-NZ 3.26Å; E325-K329 IonicContact OE1-NZ 2.7Å; E325-K329 PolarHBondContact OE1-NZ 3.35Å; E325-K329 IonicContact OE2-NZ 3.79Å; E325-K329 PolarHBondContact OE2-NZ 2.76Å
326S46.9Very low50.9Low81 Ų8191.8 Ų91.857%0.56651%0.508SS*.  trans-50.4134.7-174.9-51.20000113.1E328 K329S326-E328 PolarHBondContact O-N 3.12Å; S326-K329 WeakPolarHBondContact O-CB 3.43Å; S326-K329 PolarHBondContact O-N 3.5Å
327F52.8Low49.8Very low23 Ų2394.2 Ų94.210%0.10151%0.51CS..Hα-helixtrans-43.1-37172.8-106.4-107.2000113.9M134 F240 H244 K329 C330 I331M134-F327 HydrophobicContact CE-CB 4.03Å; M134-F327 HydrophobicContact CE-CD1 3.93Å; M134-F327 HydrophobicContact CE-CD2 3.26Å; M134-F327 HydrophobicContact CE-CE1 4.3Å; M134-F327 HydrophobicContact CE-CE2 3.77Å; M134-F327 HydrophobicContact CE-CG 3.4Å; M134-F327 VanDerWaalsContact CE-CG 3.4Å; M134-F327 HydrophobicContact CE-CZ 4.25Å; F240-F327 HydrophobicContact CD1-CE2 4.34Å; F240-F327 HydrophobicContact CD1-CZ 4.17Å; F240-F327 AromaticContact CE1-CD2 3.98Å; F240-F327 HydrophobicContact CE1-CD2 3.98Å; F240-F327 HydrophobicContact CE1-CE1 4.36Å; F240-F327 AromaticContact CE1-CE2 3.38Å; F240-F327 HydrophobicContact CE1-CE2 3.38Å; F240-F327 AromaticContact CE1-CZ 3.61Å; F240-F327 HydrophobicContact CE1-CZ 3.61Å; F240-F327 HydrophobicContact CZ-CD2 4.29Å; F240-F327 AromaticContact CZ-CE2 3.77Å; F240-F327 HydrophobicContact CZ-CE2 3.77Å; F240-F327 HydrophobicContact CZ-CZ 4.4Å; H244-F327 HydrophobicContact CB-CE2 3.65Å; H244-F327 HydrophobicContact CB-CZ 3.42Å; H244-F327 VanDerWaalsContact CB-CZ 3.42Å; H244-F327 AromaticContact CD2-CD2 3.88Å; H244-F327 AromaticContact CD2-CE2 2.97Å; H244-F327 WeakPolarHBondContact CD2-CE2 3.35Å; H244-F327 AromaticContact CD2-CZ 3.06Å; H244-F327 WeakPolarHBondContact CD2-CZ 3.04Å; H244-F327 AromaticContact CE1-CD2 3.95Å; H244-F327 AromaticContact CE1-CE2 3.43Å; H244-F327 VanDerWaalsContact CE1-CE2 3.43Å; H244-F327 WeakPolarHBondContact CE1-CE2 2.95Å; H244-F327 AromaticContact CG-CE2 3.04Å; H244-F327 AromaticContact CG-CZ 3.23Å; H244-F327 AromaticContact ND1-CE2 3.35Å; H244-F327 VanDerWaalsContact ND1-CE2 3.35Å; H244-F327 WeakPolarHBondContact ND1-CE2 2.97Å; H244-F327 AromaticContact NE2-CD2 3.7Å; H244-F327 AromaticContact NE2-CE2 3.21Å; H244-F327 WeakPolarHBondContact NE2-CE2 3.25Å; H244-F327 AromaticContact NE2-CZ 3.79Å; F327-K329 PolarHBondContact O-N 3.47Å; F327-C330 PolarHBondContact O-N 3.04Å; F327-I331 HydrophobicContact CD1-CD1 4.32Å; F327-I331 HydrophobicContact CE1-CD1 4.21Å; F327-I331 PolarHBondContact O-N 3.3Å
328E50.8Low48.4Very low136 Ų13699.9 Ų99.964%0.63652%0.521SS*.Hα-helixtrans-65.6-21.6-179.5-58.1-166.8134.800114.4S326S326-E328 PolarHBondContact O-N 3.12Å
329K48.4Very low47.2Very low140 Ų140101.7 Ų101.761%0.60954%0.537SS*.Hα-helixtrans-91.5-33-179-164.5-178.7172.3-157.30112.1E325 S326 F327E325-K329 VanDerWaalsContact CD-NZ 3.26Å; E325-K329 IonicContact OE1-NZ 2.7Å; E325-K329 PolarHBondContact OE1-NZ 3.35Å; E325-K329 IonicContact OE2-NZ 3.79Å; E325-K329 PolarHBondContact OE2-NZ 2.76Å; S326-K329 WeakPolarHBondContact O-CB 3.43Å; S326-K329 PolarHBondContact O-N 3.5Å; F327-K329 PolarHBondContact O-N 3.47Å
330C48.7Very low46.6Very low52 Ų52105.1 Ų105.135%0.35156%0.563SS.*Hα-helixtrans-83.9-34179.6-155.30000112F240 F327F240-C330 HydrophobicContact CE1-CB 4.33Å; F327-C330 PolarHBondContact O-N 3.04Å
331I57.4Low46.2Very low11 Ų11108.7 Ų108.76%0.05657%0.566CS.*SBendtrans-117.990.5177.1-51.7174.2000108.3P130 W131 V241 F327 K333P130-I331 HydrophobicContact CG-CG2 4.46Å; W131-I331 HydrophobicContact CB-CG2 4.13Å; W131-I331 HydrophobicContact CE3-CG2 4.11Å; V241-I331 HydrophobicContact CG2-CD1 3.53Å; F327-I331 HydrophobicContact CD1-CD1 4.32Å; F327-I331 HydrophobicContact CE1-CD1 4.21Å; F327-I331 PolarHBondContact O-N 3.3Å; I331-K333 PolarHBondContact O-N 2.55Å
332R52.6Low45.5Very low219 Ų219113.3 Ų113.383%0.82658%0.581SS**  trans-59.8122.3172.5-104.5-179179168.81.2108.9
333K54.9Low45.2Very low109 Ų109117.4 Ų117.447%0.47459%0.591SS.*  trans-46.2130.2163.7-70.9177.4178.3174.40107.3W131 E135 I331 A335W131-K333 HydrophobicContact CB-CG 4.44Å; W131-K333 HydrophobicContact CG-CG 4.13Å; E135-K333 IonicContact OE1-NZ 2.87Å; E135-K333 PolarHBondContact OE1-NZ 3.05Å; I331-K333 PolarHBondContact O-N 2.55Å; K333-A335 PolarHBondContact O-N 3.11Å
334P47.8Very low44.8Very low37 Ų37120.6 Ų120.624%0.2461%0.607CS.*  trans-52.8114.9171.6-2029.7000106.6W131 Y231 T336W131-P334 HydrophobicContact CE3-CG 4.28Å; W131-P334 HydrophobicContact CH2-CG 3.21Å; W131-P334 HydrophobicContact CZ2-CG 3.71Å; W131-P334 VanDerWaalsContact CZ3-CD 3.45Å; W131-P334 HydrophobicContact CZ3-CG 3.52Å; Y231-P334 HydrophobicContact CE1-CB 3.6Å; Y231-P334 HydrophobicContact CE1-CG 3.51Å; Y231-P334 VanDerWaalsContact CZ-CG 3.45Å; Y231-P334 VanDerWaalsContact OH-CB 3.31Å; Y231-P334 WeakPolarHBondContact OH-CB 3.47Å; Y231-P334 WeakPolarHBondContact OH-CG 3.31Å; P334-T336 VanDerWaalsContact C-N 3.27Å; P334-T336 PolarHBondContact O-N 3.13Å
335A45.7Very low44.6Very low94 Ų94120 Ų12078%0.77760%0.603SS**  trans-58.7104.2167.800000105K333 R337K333-A335 PolarHBondContact O-N 3.11Å; A335-R337 PolarHBondContact O-N 3.05Å
336T42.5Very low44.9Very low124 Ų124120.3 Ų120.376%0.76161%0.612SS**  trans-10.493.3179.611.30000110.5P334 R338P334-T336 VanDerWaalsContact C-N 3.27Å; P334-T336 PolarHBondContact O-N 3.13Å; T336-R338 PolarHBondContact O-N 3.26Å
337R39.6Very low45.1Very low206 Ų206127.2 Ų127.278%0.77763%0.625SS**  trans-60.6101.8172.7-155.3-178.7-166.5171.47.6103.5D230 A335 T339D230-R337 IonicContact OD1-NH1 3.39Å; D230-R337 PolarHBondContact OD1-NH1 2.79Å; A335-R337 PolarHBondContact O-N 3.05Å; R337-T339 PolarHBondContact O-N 3.3Å
338R33.8Very low45.2Very low216 Ų216131.4 Ų131.482%0.81565%0.652SS**  trans-4.7121.2-175-63.8175.7176.7178.2-1.8112.2T336 S340T336-R338 PolarHBondContact O-N 3.26Å; R338-S340 PolarHBondContact O-N 3.02Å; R338-S340 PolarHBondContact O-OG 2.85Å
339T32.5Very low45.6Very low105 Ų105130 Ų13064%0.64465%0.646SS**  trans-50.572.1150.8-2.10000108.9R337 Q341 K342R337-T339 PolarHBondContact O-N 3.3Å; T339-Q341 PolarHBondContact O-N 3.36Å; T339-K342 WeakPolarHBondContact CB-O 3.21Å; T339-K342 HydrophobicContact CG2-CB 3.59Å; T339-K342 WeakPolarHBondContact CG2-O 3.41Å
340S41.6Very low46.7Very low101 Ų101129.5 Ų129.571%0.70665%0.65SS**SBendtrans-82.687170.336.50000102.3R338R338-S340 PolarHBondContact O-N 3.02Å; R338-S340 PolarHBondContact O-OG 2.85Å
341Q40Very low47.8Very low196 Ų196134.1 Ų134.192%0.91667%0.666SS**SBendtrans105.511.6172.4-52.7173.96.100118.8T339T339-Q341 PolarHBondContact O-N 3.36Å
342K35.4Very low48.7Very low167 Ų167139.4 Ų139.473%0.72669%0.694SS**SBendtrans-120.1114.3169-112.7176.9179-178.10111.3T339T339-K342 WeakPolarHBondContact CB-O 3.21Å; T339-K342 HydrophobicContact CG2-CB 3.59Å; T339-K342 WeakPolarHBondContact CG2-O 3.41Å
343E36.2Very low49.7Very low167 Ų167134.8 Ų134.878%0.7868%0.682SS**  trans63.573.9172.6-64.4-179.2175.900116V345E343-V345 HydrophobicContact CB-CG2 4.34Å; E343-V345 PolarHBondContact O-N 2.98Å
344V40Very low50.6Low127 Ų127135.3 Ų135.377%0.7768%0.684SS**  trans-60.697.8132.3-173.70000104.1V346V344-V346 HydrophobicContact CB-CG2 4.06Å; V344-V346 HydrophobicContact CG1-CB 4.4Å; V344-V346 HydrophobicContact CG1-CG2 3.45Å; V344-V346 VanDerWaalsContact CG1-CG2 3.45Å; V344-V346 PolarHBondContact O-N 3.26Å
345V43.7Very low52Low113 Ų113138.3 Ų138.369%0.68570%0.698SS**  trans-61.385155.1179.50000103.8E343 R347E343-V345 HydrophobicContact CB-CG2 4.34Å; E343-V345 PolarHBondContact O-N 2.98Å; V345-R347 PolarHBondContact O-N 3.3Å
346V52Low53.7Low103 Ų103138.8 Ų138.862%0.62469%0.687SS**  trans-64.598.2165.4178.80000102.1V344 V348V344-V346 HydrophobicContact CB-CG2 4.06Å; V344-V346 HydrophobicContact CG1-CB 4.4Å; V344-V346 HydrophobicContact CG1-CG2 3.45Å; V344-V346 VanDerWaalsContact CG1-CG2 3.45Å; V344-V346 PolarHBondContact O-N 3.26Å; V346-V348 PolarHBondContact O-N 3.47Å
347R51.7Low55.6Low225 Ų225139 Ų13985%0.84968%0.678SS**  trans-56.699.5156.9-79.3-174175.2166.5-1.3104.2V345 E349V345-R347 PolarHBondContact O-N 3.3Å; R347-E349 PolarHBondContact O-N 2.76Å
348V54.8Low57.6Low112 Ų112132.1 Ų132.168%0.67966%0.659SS**  trans-53.9117167.8178.80000104V346 D350V346-V348 PolarHBondContact O-N 3.47Å; V348-D350 PolarHBondContact O-N 3.04Å
349E59.3Low59.9Low107 Ų107127.2 Ų127.250%0.565%0.645SS.*  trans-51131.5171.7-71.2-177.2160.700107R347 E351R347-E349 PolarHBondContact O-N 2.76Å; E349-E351 PolarHBondContact O-N 3.44Å
350D70.9Confident62.2Low128 Ų128125 Ų12568%0.68464%0.637SS**  trans-41.9129.9-179.8-78.6-35.4000109.8V348 N352 H353 F354V348-D350 PolarHBondContact O-N 3.04Å; D350-N352 PolarHBondContact O-N 3.18Å; D350-H353 HydrophobicContact CB-CB 4.44Å; D350-H353 WeakPolarHBondContact O-CA 3.33Å; D350-H353 WeakPolarHBondContact O-CB 3.43Å; D350-H353 PolarHBondContact O-N 2.79Å; D350-F354 PolarHBondContact O-N 3.33Å; D350-F354 VanDerWaalsContact O-N 3.11Å
351E71.4Confident64Low149 Ų149123.7 Ų123.770%0.69663%0.625SS**Hα-helixtrans-52-32.7-174.9-65-178.8157.900111.3E349 F354 L355E349-E351 PolarHBondContact O-N 3.44Å; E351-F354 PolarHBondContact O-N 2.84Å; E351-L355 VanDerWaalsContact O-CB 3.22Å; E351-L355 WeakPolarHBondContact O-CB 3.35Å; E351-L355 WeakPolarHBondContact O-CD1 3.33Å; E351-L355 WeakPolarHBondContact O-CG 3.22Å; E351-L355 PolarHBondContact O-N 2.97Å
352N75.7Confident65.7Low122 Ų122120 Ų12065%0.65261%0.611SS**Hα-helixtrans-65.9-36.2175.2-66.6-32.1000113.8D350 N356D350-N352 PolarHBondContact O-N 3.18Å; N352-N356 VanDerWaalsContact O-CB 3.3Å; N352-N356 WeakPolarHBondContact O-CB 3.12Å; N352-N356 VanDerWaalsContact O-CG 3.23Å; N352-N356 PolarHBondContact O-N 3.27Å; N352-N356 PolarHBondContact O-ND2 2.91Å; N352-N356 VanDerWaalsContact O-ND2 3.15Å
353H73.9Confident67.6Low122 Ų122117.4 Ų117.457%0.56561%0.605SS**Hα-helixtrans-76.2-38.6177.7-161.9-89000111.2D350 K357D350-H353 HydrophobicContact CB-CB 4.44Å; D350-H353 WeakPolarHBondContact O-CA 3.33Å; D350-H353 WeakPolarHBondContact O-CB 3.43Å; D350-H353 PolarHBondContact O-N 2.79Å; H353-K357 WeakPolarHBondContact O-CB 3.45Å; H353-K357 PolarHBondContact O-N 2.87Å; H353-K357 VanDerWaalsContact O-N 3.1Å
354F74.2Confident69.3Low120 Ų120113.3 Ų113.353%0.52660%0.6SS.*Hα-helixtrans-63.8-48.1172.4179.3-99.6000111.7D350 E351 N356 K357 V358D350-F354 PolarHBondContact O-N 3.33Å; D350-F354 VanDerWaalsContact O-N 3.11Å; E351-F354 PolarHBondContact O-N 2.84Å; F354-N356 PolarHBondContact O-N 2.73Å; F354-K357 WeakPolarHBondContact O-CB 3.06Å; F354-K357 PolarHBondContact O-N 3.01Å; F354-V358 HydrophobicContact CD1-CG2 4.33Å; F354-V358 HydrophobicContact CE1-CG2 3.93Å; F354-V358 HydrophobicContact CE2-CG2 4.33Å; F354-V358 HydrophobicContact CZ-CG2 3.92Å; F354-V358 WeakPolarHBondContact O-CG2 3.45Å; F354-V358 PolarHBondContact O-N 3.5Å
355L77.3Confident70.2Confident100 Ų100114.3 Ų114.352%0.52460%0.596SS.*Hα-helixtrans-61.3-43.3177.7-75.5167.6000112E351 K357 V358 Q359E351-L355 VanDerWaalsContact O-CB 3.22Å; E351-L355 WeakPolarHBondContact O-CB 3.35Å; E351-L355 WeakPolarHBondContact O-CD1 3.33Å; E351-L355 WeakPolarHBondContact O-CG 3.22Å; E351-L355 PolarHBondContact O-N 2.97Å; L355-K357 VanDerWaalsContact C-N 3.32Å; L355-K357 PolarHBondContact O-N 2.56Å; L355-V358 PolarHBondContact O-N 2.84Å; L355-Q359 WeakPolarHBondContact O-CB 3.2Å; L355-Q359 PolarHBondContact O-N 2.93Å
356N81.6Confident70.4Confident104 Ų104111.8 Ų111.856%0.55659%0.587SS**Hα-helixtrans-61.7-39.1175.8-82.4-27.4000112.4N352 F354 Q359 A360N352-N356 VanDerWaalsContact O-CB 3.3Å; N352-N356 WeakPolarHBondContact O-CB 3.12Å; N352-N356 VanDerWaalsContact O-CG 3.23Å; N352-N356 PolarHBondContact O-N 3.27Å; N352-N356 PolarHBondContact O-ND2 2.91Å; N352-N356 VanDerWaalsContact O-ND2 3.15Å; F354-N356 PolarHBondContact O-N 2.73Å; N356-Q359 PolarHBondContact O-N 2.91Å; N356-A360 VanDerWaalsContact O-CB 3.31Å; N356-A360 WeakPolarHBondContact O-CB 3.23Å; N356-A360 PolarHBondContact O-N 2.92Å
357K81.2Confident70.1Confident128 Ų128111.9 Ų111.956%0.55759%0.59SS**Hα-helixtrans-65.7-43.2176.5-169.3177-178.9178.70111.3H353 F354 L355 A360 T361H353-K357 WeakPolarHBondContact O-CB 3.45Å; H353-K357 PolarHBondContact O-N 2.87Å; H353-K357 VanDerWaalsContact O-N 3.1Å; F354-K357 WeakPolarHBondContact O-CB 3.06Å; F354-K357 PolarHBondContact O-N 3.01Å; L355-K357 VanDerWaalsContact C-N 3.32Å; L355-K357 PolarHBondContact O-N 2.56Å; K357-A360 PolarHBondContact O-N 3.07Å; K357-T361 PolarHBondContact O-N 3.17Å; K357-T361 PolarHBondContact O-OG1 3.47Å
358V81.6Confident69.6Low63 Ų63108.4 Ų108.438%0.38259%0.588SS.*Hα-helixtrans-64.3-43.3175.4173.80000111.1F354 L355 T361 L362F354-V358 HydrophobicContact CD1-CG2 4.33Å; F354-V358 HydrophobicContact CE1-CG2 3.93Å; F354-V358 HydrophobicContact CE2-CG2 4.33Å; F354-V358 HydrophobicContact CZ-CG2 3.92Å; F354-V358 WeakPolarHBondContact O-CG2 3.45Å; F354-V358 PolarHBondContact O-N 3.5Å; L355-V358 PolarHBondContact O-N 2.84Å; V358-T361 PolarHBondContact O-N 3.33Å; V358-L362 HydrophobicContact CG1-CD1 4.26Å; V358-L362 PolarHBondContact O-N 3.48Å
359Q82.5Confident68.7Low113 Ų113110.9 Ų110.953%0.52860%0.597SS.*Hα-helixtrans-64.9-40.8177.8-172.8173.5-7.600112.4L355 N356 T361 L362 N363L355-Q359 WeakPolarHBondContact O-CB 3.2Å; L355-Q359 PolarHBondContact O-N 2.93Å; N356-Q359 PolarHBondContact O-N 2.91Å; Q359-T361 VanDerWaalsContact C-N 3.3Å; Q359-T361 PolarHBondContact O-N 2.85Å; Q359-L362 PolarHBondContact O-N 3.01Å; Q359-N363 WeakPolarHBondContact O-CB 3.44Å; Q359-N363 PolarHBondContact O-N 2.95Å
360A81.6Confident67.7Low58 Ų58109.7 Ų109.748%0.47960%0.601SS.*Hα-helixtrans-63.3-37.1173.800000111.9N356 K357 N363 A364N356-A360 VanDerWaalsContact O-CB 3.31Å; N356-A360 WeakPolarHBondContact O-CB 3.23Å; N356-A360 PolarHBondContact O-N 2.92Å; K357-A360 PolarHBondContact O-N 3.07Å; A360-N363 PolarHBondContact O-N 3.17Å; A360-A364 WeakPolarHBondContact O-CB 3.19Å; A360-A364 PolarHBondContact O-N 2.8Å
361T79.8Confident66.1Low74 Ų74110.3 Ų110.345%0.45461%0.61SS.*Hα-helixtrans-69.6-39.4177.9-42.70000111.3K357 V358 Q359 A364 H365K357-T361 PolarHBondContact O-N 3.17Å; K357-T361 PolarHBondContact O-OG1 3.47Å; V358-T361 PolarHBondContact O-N 3.33Å; Q359-T361 VanDerWaalsContact C-N 3.3Å; Q359-T361 PolarHBondContact O-N 2.85Å; T361-A364 PolarHBondContact O-N 2.73Å; T361-H365 PolarHBondContact O-N 2.93Å; T361-H365 PolarHBondContact O-ND1 3.37Å
362L75.2Confident64.3Low118 Ų118107.7 Ų107.762%0.61861%0.614SS**Hα-helixtrans-65-42.9173.7-77.7167.1000112.2V358 Q359 A364 H365 A366V358-L362 HydrophobicContact CG1-CD1 4.26Å; V358-L362 PolarHBondContact O-N 3.48Å; Q359-L362 PolarHBondContact O-N 3.01Å; L362-A364 PolarHBondContact O-N 2.86Å; L362-H365 CarbonylContact O-C 3.58Å; L362-H365 PolarHBondContact O-N 2.82Å; L362-A366 PolarHBondContact O-N 3.06Å; L362-A366 VanDerWaalsContact O-N 3.14Å
363N75.8Confident62.2Low112 Ų112106.7 Ų106.760%0.59962%0.622SS**Hα-helixtrans-68.1-33.7178.2-74.9-9.7000112.7Q359 A360 H365 A366Q359-N363 WeakPolarHBondContact O-CB 3.44Å; Q359-N363 PolarHBondContact O-N 2.95Å; A360-N363 PolarHBondContact O-N 3.17Å; N363-H365 VanDerWaalsContact C-N 3.26Å; N363-H365 PolarHBondContact O-N 3.45Å; N363-A366 PolarHBondContact O-N 3.49Å
364A70.7Confident60.5Low81 Ų81109.8 Ų109.867%0.66964%0.637SS**Hα-helixtrans-69.2-24.117500000113.2A360 T361 L362A360-A364 WeakPolarHBondContact O-CB 3.19Å; A360-A364 PolarHBondContact O-N 2.8Å; T361-A364 PolarHBondContact O-N 2.73Å; L362-A364 PolarHBondContact O-N 2.86Å
365H60.2Low58.6Low148 Ų148115.5 Ų115.569%0.68566%0.655SS**THydrogen-bonded Turntrans-101.65.5178.4-67.683.9000113.4T361 L362 N363 P367T361-H365 PolarHBondContact O-N 2.93Å; T361-H365 PolarHBondContact O-ND1 3.37Å; L362-H365 CarbonylContact O-C 3.58Å; L362-H365 PolarHBondContact O-N 2.82Å; N363-H365 VanDerWaalsContact C-N 3.26Å; N363-H365 PolarHBondContact O-N 3.45Å; H365-P367 WeakPolarHBondContact O-CD 3.4Å
366A47.3Very low56.5Low61 Ų61114.7 Ų114.750%0.50467%0.67SS.*  trans-74110.9172.700000109L362 N363 N368L362-A366 PolarHBondContact O-N 3.06Å; L362-A366 VanDerWaalsContact O-N 3.14Å; N363-A366 PolarHBondContact O-N 3.49Å; A366-N368 PolarHBondContact O-N 3.06Å
367P46Very low54.3Low105 Ų105118.6 Ų118.668%0.68269%0.685SS**  trans-66.7126.6176.627.9-30.9000108.5H365 N369H365-P367 WeakPolarHBondContact O-CD 3.4Å; P367-N369 VanDerWaalsContact C-N 3.26Å; P367-N369 PolarHBondContact O-N 3.22Å
368N40.9Very low51.9Low151 Ų151118.2 Ų118.281%0.80769%0.693SS**  trans-54.388167.8-81.7-26.7000109.9A366 S370A366-N368 PolarHBondContact O-N 3.06Å; N368-S370 PolarHBondContact O-N 3.27Å
369N36Very low49.6Very low164 Ų164124.4 Ų124.488%0.87772%0.718SS**  trans-82.266163.4-89.1-1.3000108.6P367P367-N369 VanDerWaalsContact C-N 3.26Å; P367-N369 PolarHBondContact O-N 3.22Å
370S37.1Very low47.1Very low83 Ų83123.5 Ų123.558%0.5873%0.729SS**  trans-91.7129.8155.444.40000107.9N368N368-S370 PolarHBondContact O-N 3.27Å
371T37.3Very low44.8Very low141 Ų141129.5 Ų129.587%0.86575%0.748SS**  trans94.8134.916175.20000119.7
372A35Very low42.4Very low94 Ų94130.6 Ų130.678%0.77776%0.758SS**  trans88.583.8151.100000118.3H374A372-H374 PolarHBondContact O-N 2.85Å
373A31.1Very low40.2Very low100 Ų100134.5 Ų134.583%0.82677%0.77SS**  trans-48.6120.9145.200000111.6
374H38.7Very low38.1Very low188 Ų188134.2 Ų134.287%0.8778%0.777SS**  trans-159.9126137.4-137.331.2000114A372A372-H374 PolarHBondContact O-N 2.85Å
375R32.8Very low36.1Very low240 Ų240136.7 Ų136.791%0.90678%0.784SS**  trans-49141165.3-179.9-179.4-172.3168.61.1113
376G33.9Very low34.8Very low82 Ų82134.9 Ų134.985%0.84579%0.787SS**  trans169.7115.5168.200000112.9
377Q34.9Very low34.1Very low187 Ų187141 Ų14187%0.87481%0.806SS**  trans-103.1153.6-164-138.3-179.66.900110.2
378V31.8Very low33.5Very low120 Ų120142.1 Ų142.173%0.72781%0.81SS**  trans70.2115.6156.3-1370000118.7
379E33.8Very low33.5Very low193 Ų193140.7 Ų140.790%0.90281%0.809SS**  177.4135.4107.1-94.9179.1175.400112
380A29.5Very low33.6Very low93 Ų93140 Ų14077%0.76980%0.8SS**  trans-93.7131.4-176.500000110.6
381Q33.7Very low34.4Very low185 Ų185141.8 Ų141.886%0.86481%0.811SS**  trans-177107.7138-102.8166.120.900111.8
382S28.1Very low35Very low97 Ų97142.6 Ų142.668%0.67880%0.804SS**  trans34.9108.2135.446.80000119.6
383K30.5Very low36.2Very low199 Ų199139.7 Ų139.787%0.86578%0.784SS**  171.5152112-92164.4-177.6177.70110.9
384S29.9Very low38Very low107 Ų107138.3 Ų138.375%0.74877%0.772SS**  trans73.8113.9160.857.70000120.9
385V28.9Very low39.3Very low133 Ų133135.1 Ų135.181%0.80676%0.761SS**  63.498.9123-176.20000117.1
386S33.3Very low41Very low109 Ų109126.3 Ų126.376%0.76274%0.739SS**  165.1129.7111.2-93.10000111.8
387Q32.2Very low42.7Very low191 Ų191128.5 Ų128.589%0.89373%0.728SS**  trans-67.4132.9178.7-69.7169.6-29.600111.3
388V34Very low44.6Very low127 Ų127125.8 Ų125.877%0.7771%0.713SS**  trans-82119.6166.1-179.40000107.6Q390V388-Q390 PolarHBondContact O-N 3.49Å
389P40.7Very low46.6Very low121 Ų121126.5 Ų126.579%0.78671%0.707SS**  trans-88.910817221-7.2000109.5
390Q37.7Very low48.4Very low149 Ų149121.7 Ų121.770%0.69669%0.688SS**  trans-69.3142168.3-77.8177.7-2400110.6V388 E392V388-Q390 PolarHBondContact O-N 3.49Å; Q390-E392 PolarHBondContact O-N 2.65Å
391P54Low50.5Low122 Ų122122.2 Ų122.279%0.79268%0.677SS**THydrogen-bonded Turntrans-72.42.5-169.629.2-35.3000115.3G393P391-G393 PolarHBondContact O-N 3.48Å
392E50.3Low51.9Low157 Ų157118.4 Ų118.473%0.73466%0.662SS**THydrogen-bonded Turntrans-73-15.3178-64.9-168.1155.400113.5Q390 A394 A396Q390-E392 PolarHBondContact O-N 2.65Å; E392-A394 PolarHBondContact O-N 3.05Å; E392-A396 PolarHBondContact O-N 3.21Å
393G60.9Low53.4Low34 Ų34119.6 Ų119.635%0.35166%0.661SS.*Hα-helixtrans-67.5-31.2-178.900000114.8P391 Q397P391-G393 PolarHBondContact O-N 3.48Å; G393-Q397 WeakPolarHBondContact O-CB 3.49Å; G393-Q397 VanDerWaalsContact O-CG 3.23Å; G393-Q397 WeakPolarHBondContact O-CG 3.22Å; G393-Q397 PolarHBondContact O-N 3.41Å
394A68.9Low54.6Low70 Ų70115.1 Ų115.158%0.57965%0.645SS**Hα-helixtrans-73-38.9-172.900000113E392 F398E392-A394 PolarHBondContact O-N 3.05Å; A394-F398 WeakPolarHBondContact O-CB 3.43Å; A394-F398 PolarHBondContact O-N 2.98Å
395L65.1Low55.4Low121 Ų121119 Ų11963%0.63465%0.648SS**Hα-helixtrans-73.1-41.1175.4-89.6165.7000111.6Q397 F398 F399L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 3.1Å; L395-F398 WeakPolarHBondContact O-CB 3.15Å; L395-F398 PolarHBondContact O-N 3.48Å; L395-F399 WeakPolarHBondContact O-CD2 3.38Å; L395-F399 PolarHBondContact O-N 3.11Å
396A68.6Low56.2Low55 Ų55122 Ų12246%0.45565%0.65SS.*Hα-helixtrans-63.1-39.3174.400000111.7E392 N400E392-A396 PolarHBondContact O-N 3.21Å; A396-N400 WeakPolarHBondContact O-CB 3.48Å; A396-N400 PolarHBondContact O-N 3.15Å
397Q69.5Low57Low128 Ų128121 Ų12160%0.59865%0.648SS**Hα-helixtrans-67.7-35172.3-80.4171.1-13.400112.4G393 L395 N401G393-Q397 WeakPolarHBondContact O-CB 3.49Å; G393-Q397 VanDerWaalsContact O-CG 3.23Å; G393-Q397 WeakPolarHBondContact O-CG 3.22Å; G393-Q397 PolarHBondContact O-N 3.41Å; L395-Q397 VanDerWaalsContact C-N 3.33Å; L395-Q397 PolarHBondContact O-N 3.1Å; Q397-N401 WeakPolarHBondContact O-CB 3.43Å; Q397-N401 PolarHBondContact O-N 3.36Å; Q397-N401 PolarHBondContact O-ND2 2.84Å
398F75.8Confident57.2Low130 Ų130115 Ų11557%0.5764%0.638SS**Hα-helixtrans-64.7-48175-167.5-94.3000111.5A394 L395 N401 L402A394-F398 WeakPolarHBondContact O-CB 3.43Å; A394-F398 PolarHBondContact O-N 2.98Å; L395-F398 WeakPolarHBondContact O-CB 3.15Å; L395-F398 PolarHBondContact O-N 3.48Å; F398-N401 PolarHBondContact O-N 2.96Å; F398-L402 HydrophobicContact CD1-CD1 4.07Å; F398-L402 HydrophobicContact CE1-CD1 3.48Å; F398-L402 VanDerWaalsContact CE1-CD1 3.48Å; F398-L402 HydrophobicContact CZ-CD1 4Å; F398-L402 WeakPolarHBondContact O-CB 3.41Å; F398-L402 PolarHBondContact O-N 3.44Å
399F73.4Confident57.5Low135 Ų135116.7 Ų116.759%0.59264%0.642SS**Hα-helixtrans-65.9-38.9175.7-84.2-77.6000112.7L395 L402 L403L395-F399 WeakPolarHBondContact O-CD2 3.38Å; L395-F399 PolarHBondContact O-N 3.11Å; F399-L402 PolarHBondContact O-N 2.75Å; F399-L403 WeakPolarHBondContact O-CG 3.47Å; F399-L403 PolarHBondContact O-N 3.21Å
400N70.7Confident57.1Low93 Ų93116.4 Ų116.450%0.49764%0.643SS.*Hα-helixtrans-63-44.4172.9-104.2-41000111.5A396 L402 L403 I404A396-N400 WeakPolarHBondContact O-CB 3.48Å; A396-N400 PolarHBondContact O-N 3.15Å; N400-L402 VanDerWaalsContact C-N 3.27Å; N400-L402 PolarHBondContact O-N 3.04Å; N400-L403 PolarHBondContact O-N 2.96Å; N400-I404 HydrophobicContact CB-CD1 4.37Å; N400-I404 WeakPolarHBondContact O-CB 3.45Å; N400-I404 WeakPolarHBondContact O-CD1 3.34Å; N400-I404 WeakPolarHBondContact O-CG1 3.3Å; N400-I404 PolarHBondContact O-N 2.76Å
401N73.4Confident57Low103 Ų103115.1 Ų115.155%0.55165%0.647SS**Hα-helixtrans-65.7-31177.4-73.8-24.4000112.2Q397 F398 K405Q397-N401 WeakPolarHBondContact O-CB 3.43Å; Q397-N401 PolarHBondContact O-N 3.36Å; Q397-N401 PolarHBondContact O-ND2 2.84Å; F398-N401 PolarHBondContact O-N 2.96Å; N401-K405 WeakPolarHBondContact O-CB 3.33Å; N401-K405 PolarHBondContact O-N 3.24Å
402L64.4Low56.1Low105 Ų105116.7 Ų116.755%0.5565%0.647SS.*Hα-helixtrans-74-33.7176.2-134.1131000112.5F398 F399 N400F398-L402 HydrophobicContact CD1-CD1 4.07Å; F398-L402 HydrophobicContact CE1-CD1 3.48Å; F398-L402 VanDerWaalsContact CE1-CD1 3.48Å; F398-L402 HydrophobicContact CZ-CD1 4Å; F398-L402 WeakPolarHBondContact O-CB 3.41Å; F398-L402 PolarHBondContact O-N 3.44Å; F399-L402 PolarHBondContact O-N 2.75Å; N400-L402 VanDerWaalsContact C-N 3.27Å; N400-L402 PolarHBondContact O-N 3.04Å
403L58.6Low55.1Low123 Ų123115.1 Ų115.164%0.64465%0.651SS**Hα-helixtrans-74.5-38.9173.3-74.9165.7000112.2F399 N400 K406F399-L403 WeakPolarHBondContact O-CG 3.47Å; F399-L403 PolarHBondContact O-N 3.21Å; N400-L403 PolarHBondContact O-N 2.96Å; L403-K406 PolarHBondContact O-N 3.27Å
404I55.4Low53.8Low105 Ų105119.9 Ų119.954%0.53867%0.673SS.*Hα-helixtrans-70.8-37.5179.1-66.4163000111.2N400 K406 A407N400-I404 HydrophobicContact CB-CD1 4.37Å; N400-I404 WeakPolarHBondContact O-CB 3.45Å; N400-I404 WeakPolarHBondContact O-CD1 3.34Å; N400-I404 WeakPolarHBondContact O-CG1 3.3Å; N400-I404 PolarHBondContact O-N 2.76Å; I404-K406 PolarHBondContact O-N 3.44Å; I404-A407 PolarHBondContact O-N 3.28Å; I404-A407 VanDerWaalsContact O-N 3.12Å
405K48.6Very low52.1Low188 Ų188125.1 Ų125.182%0.81769%0.686SS**THydrogen-bonded Turntrans-70.6-16.4-179.5-158.1172.6-175.7179.90113.6N401N401-K405 WeakPolarHBondContact O-CB 3.33Å; N401-K405 PolarHBondContact O-N 3.24Å
406K45.6Very low50.6Low196 Ų196125.9 Ų125.985%0.85270%0.697SS**THydrogen-bonded Turntrans-90.8-8.4173.3-160.9170.1179176.60113.4L403 I404L403-K406 PolarHBondContact O-N 3.27Å; I404-K406 PolarHBondContact O-N 3.44Å
407A48.7Very low48.8Very low87 Ų87127 Ų12772%0.71972%0.715SS**SBendtrans-1011.6-17900000114.5I404I404-A407 PolarHBondContact O-N 3.28Å; I404-A407 VanDerWaalsContact O-N 3.12Å
408G37.1Very low47Very low65 Ų65132.2 Ų132.267%0.6773%0.729SS**  trans-102.113.9-168.100000117.9
409L39.3Very low44.9Very low163 Ų163137.5 Ų137.585%0.85375%0.745SS**  trans-113104.7176.8-79.8151.2000109.8
410S33.6Very low42.9Very low116 Ų116138.5 Ų138.581%0.81176%0.757SS**  trans-48.2134.9177.552.40000114
411P34.9Very low41.2Very low121 Ų121142 Ų14279%0.78677%0.773SS**  trans-118.1132.915627.3-10.5000112.2
412I35.5Very low39.4Very low155 Ų155142.3 Ų142.380%0.79578%0.779SS**  trans-49141.6167-64.1151.4000110.4V414I412-V414 PolarHBondContact O-N 3.49Å
413P30Very low37.7Very low124 Ų124145.2 Ų145.281%0.80579%0.794SS**  trans-85113.6-172.933-30.3000111
414V33.2Very low36.7Very low135 Ų135144.3 Ų144.382%0.81879%0.794SS**  trans-137.2138.1159.2-172.60000109.1I412I412-V414 PolarHBondContact O-N 3.49Å
415Q33.6Very low35.9Very low180 Ų180146.6 Ų146.684%0.84181%0.805SS**  trans-58.5147.8-153.7-60.6-179.3-11.900117.1G417Q415-G417 PolarHBondContact O-N 2.95Å
416P32.2Very low35.6Very low136 Ų136143.3 Ų143.388%0.88380%0.801SS**  trans-91.8105.9-179.734.4-28.8000112.1
417G32.1Very low35.1Very low79 Ų79143.3 Ų143.381%0.81480%0.796SS**  trans-90119161.400000111Q415Q415-G417 PolarHBondContact O-N 2.95Å
418R30.6Very low34.7Very low238 Ų238148.8 Ų148.890%0.89880%0.798SS**  trans-23.8128.8173-68.3171.4168.7178.6-4.5116.2
419R33.2Very low34.9Very low241 Ų241155.6 Ų155.691%0.90981%0.805SS**  178.3135112.2-93.4163.1-174.3-178.23.1112
420N30.7Very low35Very low156 Ų156153.5 Ų153.583%0.83479%0.793SS**  trans-62.5129.4-178.2-64-49000112.6
421I34.7Very low35.4Very low165 Ų165153.5 Ų153.585%0.84678%0.782SS**  trans-110.599.6161.4-72.1162.4000106.8
422V35Very low35.9Very low111 Ų111151.8 Ų151.867%0.67377%0.769SS**  trans-79125.6170.3172.30000107.9T424V422-T424 PolarHBondContact O-N 3.49Å; V422-T424 PolarHBondContact O-OG1 3.45Å
423L30Very low36.2Very low165 Ų165148.6 Ų148.686%0.86476%0.76SS**  trans-45.4105.4168.9-98.676.1000110.5
424T36.7Very low36.9Very low105 Ų105147.4 Ų147.464%0.64475%0.75SS**  trans-128.353.2177.8-39.40000109.4V422V422-T424 PolarHBondContact O-N 3.49Å; V422-T424 PolarHBondContact O-OG1 3.45Å
425I39Very low37.4Very low152 Ų152149.8 Ų149.878%0.77974%0.744SS**  trans-111.5-8.4-170.8-71.7176.4000114.3
426T42.9Very low37.9Very low119 Ų119148.5 Ų148.573%0.7374%0.736SS**SBendtrans-1186.9-172.835.20000116.7
427W34.5Very low38.5Very low197 Ų197145.7 Ų145.775%0.74672%0.72SS**SBendtrans-112.6-9178.4-96.661.7000115.5
428R40.5Very low39.1Very low202 Ų202145.8 Ų145.876%0.76271%0.708SS**Hα-helixtrans-85.6-23.7-172.2-139.9165.2-177.8168.6-2.9114.1T432R428-T432 PolarHBondContact O-OG1 2.96Å
429Y39.8Very low40Very low208 Ų208139.6 Ų139.682%0.81669%0.692SS**Hα-helixtrans-76.5-31.4175.7-114.8-95.3000112.7
430I42.7Very low40.7Very low118 Ų118132.4 Ų132.461%0.60568%0.675SS**Hα-helixtrans-79.1-35.9-177.5-65.7168.9000111.5T432 V434I430-T432 VanDerWaalsContact C-N 3.35Å; I430-T432 PolarHBondContact O-N 3.47Å; I430-V434 WeakPolarHBondContact O-CG2 3.31Å; I430-V434 PolarHBondContact O-N 3.43Å
431M40.9Very low41.3Very low116 Ų116132 Ų13257%0.57167%0.668SS**Hα-helixtrans-71.8-25.4177.4-92.9-151.6-17900114.3R435M431-R435 PolarHBondContact O-N 3.14Å
432T46.2Very low41.9Very low85 Ų85127.2 Ų127.252%0.52165%0.653SS.*Hα-helixtrans-76.6-34.9-178.7-490000111.1R428 I430 F436R428-T432 PolarHBondContact O-OG1 2.96Å; I430-T432 VanDerWaalsContact C-N 3.35Å; I430-T432 PolarHBondContact O-N 3.47Å; T432-F436 PolarHBondContact O-N 2.88Å
433C41.3Very low42.4Very low89 Ų89128.5 Ų128.560%0.60166%0.655SS**Hα-helixtrans-69.8-32.9173.5-67.70000113.2S437C433-S437 PolarHBondContact O-N 3.28Å
434V45.6Very low43.2Very low98 Ų98130.9 Ų130.959%0.59465%0.654SS**Hα-helixtrans-76.2-32-180177.60000112.2I430I430-V434 WeakPolarHBondContact O-CG2 3.31Å; I430-V434 PolarHBondContact O-N 3.43Å
435R43.8Very low43.2Very low185 Ų185131.3 Ų131.370%0.69866%0.657SS**Hα-helixtrans-74.8-31.5175.5-84.1-172.8177.8167.5-0.3113.7M431 I439M431-R435 PolarHBondContact O-N 3.14Å; R435-I439 WeakPolarHBondContact O-CD1 3.15Å; R435-I439 WeakPolarHBondContact O-CG1 3.46Å
436F43.9Very low43.1Very low153 Ų153136.6 Ų136.667%0.67168%0.675SS**Hα-helixtrans-72.1-32178.2-112.3-92.7000112.9T432 S438 T440T432-F436 PolarHBondContact O-N 2.88Å; F436-S438 VanDerWaalsContact C-N 3.32Å; F436-S438 PolarHBondContact O-N 2.77Å; F436-T440 PolarHBondContact O-OG1 3.04Å
437S44.4Very low43.1Very low78 Ų78137.5 Ų137.555%0.54567%0.672SS.*Hα-helixtrans-73-23.2177.7-156.80000113.7C433C433-S437 PolarHBondContact O-N 3.28Å
438S45Very low43.5Very low81 Ų81134.3 Ų134.357%0.56667%0.668SS**Hα-helixtrans-90.6-14.1-177.6-1580000113.5F436F436-S438 VanDerWaalsContact C-N 3.32Å; F436-S438 PolarHBondContact O-N 2.77Å
439I49Very low43.7Very low107 Ų107130.6 Ų130.655%0.54966%0.663SS.*Hα-helixtrans-91.9-28.3179.8-66.6166.9000111R435R435-I439 WeakPolarHBondContact O-CD1 3.15Å; R435-I439 WeakPolarHBondContact O-CG1 3.46Å
440T47.3Very low43.9Very low90 Ų90126 Ų12655%0.55265%0.654SS**Hα-helixtrans-76.4-25174.526.70000114F436F436-T440 PolarHBondContact O-OG1 3.04Å
441E43.2Very low44Very low148 Ų148126.5 Ų126.569%0.69266%0.657SS**SBendtrans-76.7-25.4172.7-78-170.3156.900113.2T445E441-T445 PolarHBondContact O-OG1 3.37Å
442A47.6Very low44.2Very low65 Ų65127.2 Ų127.254%0.53766%0.663SS.*THydrogen-bonded Turntrans-79.2-16.2-179.200000114
443L46.8Very low44.1Very low137 Ų137130.2 Ų130.272%0.71767%0.673SS**THydrogen-bonded Turntrans-91.7-2.2178.5-82.5159.4000113.6
444Y46.2Very low44.3Very low215 Ų215133.4 Ų133.484%0.84368%0.678SS**SBendtrans-105.410.5177.1-105.8-85.8000113.5
445T37.2Very low44.2Very low114 Ų114136.3 Ų136.370%0.69969%0.685SS**  trans-121.816.3-176.71.20000115.5E441E441-T445 PolarHBondContact O-OG1 3.37Å
446F35.9Very low44.2Very low263 Ų263131.9 Ų131.9100%1.15468%0.684SS**  trans-130.30164-92.9-86000108.4

Retrieved 446 of 446 residues in 388.7 ms (Link to these results)

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