A0A087X8J4_POEFO Loading...

Centromere protein P

AlphaFold DB , UniProt , Accession A0A087X8J4, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 296 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
1M50.8Low68.8Low230 Ų230121.9 Ų121.9100%1.13361%0.612SS**  0115.40-67.1-157.6-64.800106
2S54Low70.2Confident60 Ų60120.3 Ų120.342%0.4261%0.605SS.*  trans-70.6149.1-159.827.20000112.8E4 N5S2-E4 PolarHBondContact O-N 3.47Å; S2-E4 VanDerWaalsContact O-N 3.12Å; S2-N5 PolarHBondContact O-N 3.05Å; S2-N5 PolarHBondContact OG-OD1 3.01Å
3E58.7Low71.5Confident177 Ų177119.3 Ų119.383%0.82760%0.598SS**Hα-helixtrans-50.3-31.1170.2-78.6171.714500112.2N5 A6 E7E3-N5 PolarHBondContact O-N 3.25Å; E3-A6 WeakPolarHBondContact O-CB 3.44Å; E3-A6 PolarHBondContact O-N 3.37Å; E3-A6 VanDerWaalsContact O-N 3.09Å; E3-E7 PolarHBondContact O-N 2.98Å
4E60.2Low72.8Confident132 Ų132116.6 Ų116.662%0.61759%0.591SS**Hα-helixtrans-55.5-43.5173.1-162.3169.6-160.300113S2 A6 E7 E8S2-E4 PolarHBondContact O-N 3.47Å; S2-E4 VanDerWaalsContact O-N 3.12Å; E4-A6 VanDerWaalsContact C-N 3.29Å; E4-A6 PolarHBondContact O-N 3.09Å; E4-E7 PolarHBondContact O-N 3.42Å; E4-E8 WeakPolarHBondContact O-CG 3.49Å; E4-E8 PolarHBondContact O-N 3.28Å
5N61.9Low73.9Confident74 Ų74116.3 Ų116.340%0.39659%0.586SS.*Hα-helixtrans-70.2-27177.9-6818.6000112.3S2 E3 L9S2-N5 PolarHBondContact O-N 3.05Å; S2-N5 PolarHBondContact OG-OD1 3.01Å; E3-N5 PolarHBondContact O-N 3.25Å; N5-L9 WeakPolarHBondContact O-CB 3.4Å; N5-L9 PolarHBondContact O-N 2.73Å; N5-L9 VanDerWaalsContact O-N 3.15Å
6A72.3Confident74.9Confident57 Ų57113.8 Ų113.847%0.47158%0.578SS.*Hα-helixtrans-78.6-29.1177.700000111.6E3 E4 K10E3-A6 WeakPolarHBondContact O-CB 3.44Å; E3-A6 PolarHBondContact O-N 3.37Å; E3-A6 VanDerWaalsContact O-N 3.09Å; E4-A6 VanDerWaalsContact C-N 3.29Å; E4-A6 PolarHBondContact O-N 3.09Å; A6-K10 WeakPolarHBondContact O-CG 3.49Å; A6-K10 PolarHBondContact O-N 3.07Å
7E74.7Confident75.8Confident127 Ų127115.1 Ų115.159%0.59358%0.579SS**Hα-helixtrans-78.2-40.8176-161150.1-153.800111.5E3 E4 L9 K10 Q11E3-E7 PolarHBondContact O-N 2.98Å; E4-E7 PolarHBondContact O-N 3.42Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 2.97Å; E7-K10 PolarHBondContact O-N 3.12Å; E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 3.29Å
8E78.3Confident76.6Confident105 Ų105115.2 Ų115.249%0.49158%0.581SS.*Hα-helixtrans-60.2-41.6169.5-75.4-176.6163.700112.2E4 K10 Q11 L12E4-E8 WeakPolarHBondContact O-CG 3.49Å; E4-E8 PolarHBondContact O-N 3.28Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.36Å; E8-Q11 PolarHBondContact O-N 2.91Å; E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.46Å; E8-L12 PolarHBondContact O-N 2.94Å
9L78.7Confident77.3Confident106 Ų106113.5 Ų113.556%0.55557%0.573SS**Hα-helixtrans-60.7-41.2175.6-112.6152.6000112.3N5 E7 L12 E13N5-L9 WeakPolarHBondContact O-CB 3.4Å; N5-L9 PolarHBondContact O-N 2.73Å; N5-L9 VanDerWaalsContact O-N 3.15Å; E7-L9 VanDerWaalsContact C-N 3.35Å; E7-L9 PolarHBondContact O-N 2.97Å; L9-L12 PolarHBondContact O-N 3.25Å; L9-E13 WeakPolarHBondContact O-CB 3.47Å; L9-E13 WeakPolarHBondContact O-CG 3.42Å; L9-E13 PolarHBondContact O-N 3.09Å
10K80.6Confident77.8Confident146 Ų146113.4 Ų113.464%0.63557%0.571SS**Hα-helixtrans-67.8-37.2176.6-80.3-179.3178.5177.60112.5A6 E7 E8 T14A6-K10 WeakPolarHBondContact O-CG 3.49Å; A6-K10 PolarHBondContact O-N 3.07Å; E7-K10 PolarHBondContact O-N 3.12Å; E8-K10 VanDerWaalsContact C-N 3.33Å; E8-K10 PolarHBondContact O-N 3.36Å; K10-T14 PolarHBondContact O-N 3.42Å; K10-T14 PolarHBondContact O-OG1 3.15Å
11Q86.4Confident78.3Confident127 Ų127110.7 Ų110.759%0.59357%0.566SS**Hα-helixtrans-65.2-46.5176-72.7179.38.800110.8E7 E8 E13 T14 E15E7-Q11 WeakPolarHBondContact O-CG 3.49Å; E7-Q11 PolarHBondContact O-N 3.29Å; E8-Q11 PolarHBondContact O-N 2.91Å; Q11-E13 PolarHBondContact O-N 3.45Å; Q11-T14 WeakPolarHBondContact O-CB 3.38Å; Q11-T14 PolarHBondContact O-N 3.26Å; Q11-T14 VanDerWaalsContact O-N 3.09Å; Q11-E15 PolarHBondContact O-N 3.49Å
12L85.6Confident80Confident102 Ų102105.1 Ų105.153%0.53454%0.537SS..Hα-helixtrans-62-41.3175.9-74.2165.3000112.3E8 L9 T14 E15 V16E8-L12 WeakPolarHBondContact O-CB 3.46Å; E8-L12 WeakPolarHBondContact O-CG 3.46Å; E8-L12 PolarHBondContact O-N 2.94Å; L9-L12 PolarHBondContact O-N 3.25Å; L12-T14 VanDerWaalsContact C-N 3.26Å; L12-T14 PolarHBondContact O-N 2.92Å; L12-E15 PolarHBondContact O-N 3.18Å; L12-V16 WeakPolarHBondContact O-CB 3.23Å; L12-V16 VanDerWaalsContact O-CG2 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.02Å
13E86.9Confident81.3Confident108 Ų108106.6 Ų106.651%0.50554%0.539SS..Hα-helixtrans-62.2-34174.3-81.2-176.3-179.200112.7L9 Q11 K17L9-E13 WeakPolarHBondContact O-CB 3.47Å; L9-E13 WeakPolarHBondContact O-CG 3.42Å; L9-E13 PolarHBondContact O-N 3.09Å; Q11-E13 PolarHBondContact O-N 3.45Å; E13-K17 VanDerWaalsContact O-CG 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 3.02Å
14T89.6Confident82.7Confident82 Ų82102.4 Ų102.450%0.50352%0.522SS..Hα-helixtrans-73.5-41.7178.2-51.70000110.8K10 Q11 L12 K17 L18K10-T14 PolarHBondContact O-N 3.42Å; K10-T14 PolarHBondContact O-OG1 3.15Å; Q11-T14 WeakPolarHBondContact O-CB 3.38Å; Q11-T14 PolarHBondContact O-N 3.26Å; Q11-T14 VanDerWaalsContact O-N 3.09Å; L12-T14 VanDerWaalsContact C-N 3.26Å; L12-T14 PolarHBondContact O-N 2.92Å; T14-K17 PolarHBondContact O-N 3.36Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 2.87Å
15E89.8Confident83.9Confident112 Ų11298.6 Ų98.652%0.52351%0.512SS..Hα-helixtrans-65.5-42.3176.5-170.1172.8-176.300111.8Q11 L12 K17 L18 L19Q11-E15 PolarHBondContact O-N 3.49Å; L12-E15 PolarHBondContact O-N 3.18Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.29Å; E15-L18 PolarHBondContact O-N 3.34Å; E15-L19 HydrophobicContact CG-CD1 4.11Å; E15-L19 WeakPolarHBondContact O-CB 3.47Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.36Å
16V89.4Confident84.7Confident75 Ų7599.1 Ų99.146%0.45552%0.515SS..Hα-helixtrans-59.4-41.2174168.60000111.1L12 Q20L12-V16 WeakPolarHBondContact O-CB 3.23Å; L12-V16 VanDerWaalsContact O-CG2 3.23Å; L12-V16 WeakPolarHBondContact O-CG2 3.36Å; L12-V16 PolarHBondContact O-N 3.02Å; V16-Q20 HydrophobicContact CG1-CG 4.38Å; V16-Q20 VanDerWaalsContact O-CB 3.3Å; V16-Q20 WeakPolarHBondContact O-CB 3.2Å; V16-Q20 WeakPolarHBondContact O-CG 3.4Å; V16-Q20 PolarHBondContact O-N 2.91Å
17K90.1Very high84.5Confident136 Ų136101.4 Ų101.459%0.59152%0.516SS*.Hα-helixtrans-66.4-38.8176.9-75.8173.8-173.81720112.5E13 T14 E15 A21E13-K17 VanDerWaalsContact O-CG 3.3Å; E13-K17 WeakPolarHBondContact O-CG 3.5Å; E13-K17 PolarHBondContact O-N 3.02Å; T14-K17 PolarHBondContact O-N 3.36Å; E15-K17 VanDerWaalsContact C-N 3.29Å; E15-K17 PolarHBondContact O-N 3.29Å; K17-A21 PolarHBondContact O-N 3.2Å
18L91.6Very high84.3Confident117 Ų117101 Ų10161%0.61351%0.514SS*.Hα-helixtrans-66.2-47.1176.2-76.2168.1000111.4T14 E15 Q20 A21 E22T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 2.87Å; E15-L18 PolarHBondContact O-N 3.34Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.39Å; L18-A21 WeakPolarHBondContact O-CB 3.42Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-A21 VanDerWaalsContact O-N 3.15Å; L18-E22 PolarHBondContact O-N 2.85Å
19L88.5Confident83.8Confident84 Ų84102.3 Ų102.344%0.4452%0.52SS..Hα-helixtrans-63.5-37.4176.7-70.6171.3000111.8E15 E22 I23E15-L19 HydrophobicContact CG-CD1 4.11Å; E15-L19 WeakPolarHBondContact O-CB 3.47Å; E15-L19 WeakPolarHBondContact O-CG 3.3Å; E15-L19 PolarHBondContact O-N 3.36Å; L19-E22 PolarHBondContact O-N 2.87Å; L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 2.89Å
20Q87.9Confident82.8Confident111 Ų111104.6 Ų104.652%0.51952%0.521SS..Hα-helixtrans-63.1-42.1172.9-78.6173.2-10.300111.9V16 L18 I23 I24V16-Q20 HydrophobicContact CG1-CG 4.38Å; V16-Q20 VanDerWaalsContact O-CB 3.3Å; V16-Q20 WeakPolarHBondContact O-CB 3.2Å; V16-Q20 WeakPolarHBondContact O-CG 3.4Å; V16-Q20 PolarHBondContact O-N 2.91Å; L18-Q20 VanDerWaalsContact C-N 3.31Å; L18-Q20 PolarHBondContact O-N 3.39Å; Q20-I23 PolarHBondContact O-N 3.15Å; Q20-I24 WeakPolarHBondContact O-CB 3.34Å; Q20-I24 WeakPolarHBondContact O-CD1 3.34Å; Q20-I24 WeakPolarHBondContact O-CG1 3.25Å; Q20-I24 PolarHBondContact O-N 2.83Å
21A88.3Confident81.3Confident57 Ų57103.2 Ų103.247%0.47152%0.517SS..Hα-helixtrans-65.1-39.5175.700000112K17 L18 I24 A25K17-A21 PolarHBondContact O-N 3.2Å; L18-A21 WeakPolarHBondContact O-CB 3.42Å; L18-A21 PolarHBondContact O-N 3.44Å; L18-A21 VanDerWaalsContact O-N 3.15Å; A21-I24 PolarHBondContact O-N 3.42Å; A21-A25 WeakPolarHBondContact O-CB 3.18Å; A21-A25 PolarHBondContact O-N 2.88Å
22E87.4Confident79.5Confident113 Ų113101.1 Ų101.153%0.52851%0.51SS..Hα-helixtrans-67.3-41.3176-173.3168.8-170.300111.9L18 L19 I24 A25 L26L18-E22 PolarHBondContact O-N 2.85Å; L19-E22 PolarHBondContact O-N 2.87Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 3Å; E22-A25 PolarHBondContact O-N 3.07Å; E22-L26 HydrophobicContact CG-CD1 4.01Å; E22-L26 HydrophobicContact CG-CG 4.39Å; E22-L26 WeakPolarHBondContact O-CB 3.21Å; E22-L26 VanDerWaalsContact O-CG 3.25Å; E22-L26 WeakPolarHBondContact O-CG 3.27Å; E22-L26 PolarHBondContact O-N 3.28Å
23I80.7Confident77.5Confident91 Ų9199.9 Ų99.947%0.46751%0.51SS..Hα-helixtrans-61.7-43.1173.8-70.9165.2000110.7L19 Q20 L26 Q27L19-I23 WeakPolarHBondContact O-CB 3.43Å; L19-I23 WeakPolarHBondContact O-CD1 3.5Å; L19-I23 WeakPolarHBondContact O-CG1 3.3Å; L19-I23 PolarHBondContact O-N 2.89Å; Q20-I23 PolarHBondContact O-N 3.15Å; I23-L26 PolarHBondContact O-N 3.47Å; I23-Q27 HydrophobicContact CG2-CG 4.28Å; I23-Q27 VanDerWaalsContact O-CB 3.27Å; I23-Q27 WeakPolarHBondContact O-CB 3.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.85Å
24I87.1Confident75.1Confident89 Ų89103.9 Ų103.946%0.45652%0.521SS..Hα-helixtrans-62.6-45176.5-70.2164.1000110.5Q20 A21 E22 Q27 Q28Q20-I24 WeakPolarHBondContact O-CB 3.34Å; Q20-I24 WeakPolarHBondContact O-CD1 3.34Å; Q20-I24 WeakPolarHBondContact O-CG1 3.25Å; Q20-I24 PolarHBondContact O-N 2.83Å; A21-I24 PolarHBondContact O-N 3.42Å; E22-I24 VanDerWaalsContact C-N 3.34Å; E22-I24 PolarHBondContact O-N 3Å; I24-Q27 PolarHBondContact O-N 3.4Å; I24-Q28 WeakPolarHBondContact O-CB 3.21Å; I24-Q28 PolarHBondContact O-N 3.28Å
25A85.6Confident72.9Confident51 Ų51105.9 Ų105.942%0.42152%0.524SS..Hα-helixtrans-63.5-42177.600000112.1A21 E22 Q28 Q29A21-A25 WeakPolarHBondContact O-CB 3.18Å; A21-A25 PolarHBondContact O-N 2.88Å; E22-A25 PolarHBondContact O-N 3.07Å; A25-Q28 PolarHBondContact O-N 2.82Å; A25-Q29 WeakPolarHBondContact O-CB 3.5Å; A25-Q29 PolarHBondContact O-N 3.4Å
26L78.6Confident70.5Confident86 Ų86103.3 Ų103.345%0.4551%0.514SS..Hα-helixtrans-69.1-33.5175.9-71.9171.5000112.2E22 I23 R30E22-L26 HydrophobicContact CG-CD1 4.01Å; E22-L26 HydrophobicContact CG-CG 4.39Å; E22-L26 WeakPolarHBondContact O-CB 3.21Å; E22-L26 VanDerWaalsContact O-CG 3.25Å; E22-L26 WeakPolarHBondContact O-CG 3.27Å; E22-L26 PolarHBondContact O-N 3.28Å; I23-L26 PolarHBondContact O-N 3.47Å; L26-R30 VanDerWaalsContact O-CB 3.26Å; L26-R30 WeakPolarHBondContact O-CB 3.44Å; L26-R30 PolarHBondContact O-N 2.97Å
27Q69.5Low68.2Low105 Ų105103.3 Ų103.349%0.49151%0.514SS..Hα-helixtrans-69.3-41173.3-78.4174.9-1600111.3I23 I24 R30 Q31I23-Q27 HydrophobicContact CG2-CG 4.28Å; I23-Q27 VanDerWaalsContact O-CB 3.27Å; I23-Q27 WeakPolarHBondContact O-CB 3.41Å; I23-Q27 WeakPolarHBondContact O-CG 3.46Å; I23-Q27 PolarHBondContact O-N 2.85Å; I24-Q27 PolarHBondContact O-N 3.4Å; Q27-R30 PolarHBondContact O-N 2.8Å; Q27-Q31 WeakPolarHBondContact O-CB 3.41Å; Q27-Q31 PolarHBondContact O-N 3.47Å
28Q70.5Confident65.7Low119 Ų119100.4 Ų100.456%0.55651%0.511SS*.Hα-helixtrans-64.8-44.8172.5-81.9166-28.800111.6I24 A25 R30 Q31 D32I24-Q28 WeakPolarHBondContact O-CB 3.21Å; I24-Q28 PolarHBondContact O-N 3.28Å; A25-Q28 PolarHBondContact O-N 2.82Å; Q28-R30 VanDerWaalsContact C-N 3.26Å; Q28-R30 PolarHBondContact O-N 2.58Å; Q28-Q31 WeakPolarHBondContact O-CB 3.37Å; Q28-Q31 PolarHBondContact O-N 2.8Å; Q28-Q31 VanDerWaalsContact O-N 3.16Å; Q28-D32 WeakPolarHBondContact O-CB 3.29Å; Q28-D32 PolarHBondContact O-N 2.91Å
29Q67.4Low63.3Low131 Ų13199.6 Ų99.661%0.61251%0.51SS*.Hα-helixtrans-61.5-35.5174.6-172.5-179.15.500112.3A25 S33A25-Q29 WeakPolarHBondContact O-CB 3.5Å; A25-Q29 PolarHBondContact O-N 3.4Å; Q29-S33 VanDerWaalsContact O-CB 3.29Å; Q29-S33 WeakPolarHBondContact O-CB 3.49Å; Q29-S33 PolarHBondContact O-N 2.81Å
30R57.4Low61.1Low154 Ų154102 Ų10258%0.58152%0.52SS*.Hα-helixtrans-69.9-44.2173.6-166.6-165.3-50.7-169.82.2111.2L26 Q27 Q28 S33 W34L26-R30 VanDerWaalsContact O-CB 3.26Å; L26-R30 WeakPolarHBondContact O-CB 3.44Å; L26-R30 PolarHBondContact O-N 2.97Å; Q27-R30 PolarHBondContact O-N 2.8Å; Q28-R30 VanDerWaalsContact C-N 3.26Å; Q28-R30 PolarHBondContact O-N 2.58Å; R30-S33 CarbonylContact O-C 3.58Å; R30-S33 WeakPolarHBondContact O-CA 3.47Å; R30-S33 VanDerWaalsContact O-CB 3.28Å; R30-S33 WeakPolarHBondContact O-CB 3.35Å; R30-S33 PolarHBondContact O-N 2.83Å; R30-S33 VanDerWaalsContact O-N 3.11Å; R30-W34 PolarHBondContact O-N 2.93Å
31Q50.2Low59.2Low117 Ų117100.6 Ų100.655%0.54751%0.512SS..Hα-helixtrans-60.1-47.6176.2-16988.317.900110.6Q27 Q28 S33 W34 E35Q27-Q31 WeakPolarHBondContact O-CB 3.41Å; Q27-Q31 PolarHBondContact O-N 3.47Å; Q28-Q31 WeakPolarHBondContact O-CB 3.37Å; Q28-Q31 PolarHBondContact O-N 2.8Å; Q28-Q31 VanDerWaalsContact O-N 3.16Å; Q31-S33 VanDerWaalsContact C-N 3.25Å; Q31-S33 PolarHBondContact O-N 3.27Å; Q31-W34 CarbonylContact O-C 3.54Å; Q31-W34 WeakPolarHBondContact O-CA 3.37Å; Q31-W34 PolarHBondContact O-N 3.23Å; Q31-E35 PolarHBondContact O-N 3.31Å
32D48.5Very low57.2Low84 Ų84109 Ų10945%0.44953%0.531SS..Hα-helixtrans-59.8-38.3172.9-68.1-18.1000110.5Q28 W34 E35 N36Q28-D32 WeakPolarHBondContact O-CB 3.29Å; Q28-D32 PolarHBondContact O-N 2.91Å; D32-W34 VanDerWaalsContact C-N 3.32Å; D32-W34 PolarHBondContact O-N 3.34Å; D32-E35 PolarHBondContact O-N 3.32Å; D32-N36 WeakPolarHBondContact O-CB 3.47Å; D32-N36 VanDerWaalsContact O-CG 3.3Å; D32-N36 PolarHBondContact O-N 3.16Å; D32-N36 PolarHBondContact O-ND2 2.99Å
33S42.8Very low55.9Low76 Ų76105.4 Ų105.453%0.53153%0.525SS..Hα-helixtrans-64.8-33.8174.3-171.90000112.7Q29 R30 Q31 V37Q29-S33 VanDerWaalsContact O-CB 3.29Å; Q29-S33 WeakPolarHBondContact O-CB 3.49Å; Q29-S33 PolarHBondContact O-N 2.81Å; R30-S33 CarbonylContact O-C 3.58Å; R30-S33 WeakPolarHBondContact O-CA 3.47Å; R30-S33 VanDerWaalsContact O-CB 3.28Å; R30-S33 WeakPolarHBondContact O-CB 3.35Å; R30-S33 PolarHBondContact O-N 2.83Å; R30-S33 VanDerWaalsContact O-N 3.11Å; Q31-S33 VanDerWaalsContact C-N 3.25Å; Q31-S33 PolarHBondContact O-N 3.27Å; S33-V37 VanDerWaalsContact O-CG2 3.31Å; S33-V37 WeakPolarHBondContact O-CG2 3.26Å; S33-V37 PolarHBondContact O-N 2.73Å
34W36.8Very low54.5Low192 Ų192106.2 Ų106.273%0.72753%0.527SS*.Hα-helixtrans-77.4-38.6175.8-80.7101.5000112.3R30 Q31 D32 N36 V37R30-W34 PolarHBondContact O-N 2.93Å; Q31-W34 CarbonylContact O-C 3.54Å; Q31-W34 WeakPolarHBondContact O-CA 3.37Å; Q31-W34 PolarHBondContact O-N 3.23Å; D32-W34 VanDerWaalsContact C-N 3.32Å; D32-W34 PolarHBondContact O-N 3.34Å; W34-N36 VanDerWaalsContact C-N 3.3Å; W34-N36 PolarHBondContact O-N 2.81Å; W34-V37 PolarHBondContact O-N 3.09Å
35E42.5Very low53Low123 Ų123104.4 Ų104.458%0.57552%0.517SS*.Hα-helixtrans-69-28.7174.3-71.4-178.7-172.700111.9Q31 D32 V37 S38Q31-E35 PolarHBondContact O-N 3.31Å; D32-E35 PolarHBondContact O-N 3.32Å; E35-V37 VanDerWaalsContact C-N 3.35Å; E35-S38 WeakPolarHBondContact O-CB 3.25Å; E35-S38 PolarHBondContact O-N 2.78Å
36N41.1Very low51.5Low58 Ų58108 Ų10831%0.3153%0.525SS..THydrogen-bonded Turntrans-83.9-1.3173.3-75.1-68.5000114.3D32 W34 S38 T96D32-N36 WeakPolarHBondContact O-CB 3.47Å; D32-N36 VanDerWaalsContact O-CG 3.3Å; D32-N36 PolarHBondContact O-N 3.16Å; D32-N36 PolarHBondContact O-ND2 2.99Å; W34-N36 VanDerWaalsContact C-N 3.3Å; W34-N36 PolarHBondContact O-N 2.81Å; N36-S38 PolarHBondContact O-N 2.85Å; N36-S38 VanDerWaalsContact O-N 3.12Å; N36-T96 PolarHBondContact OD1-OG1 3.33Å
37V39.5Very low50.4Low75 Ų75109.2 Ų109.246%0.45553%0.532SS..  trans-75.624.8156.5-164.40000109.9S33 W34 E35 V39 F41S33-V37 VanDerWaalsContact O-CG2 3.31Å; S33-V37 WeakPolarHBondContact O-CG2 3.26Å; S33-V37 PolarHBondContact O-N 2.73Å; W34-V37 PolarHBondContact O-N 3.09Å; E35-V37 VanDerWaalsContact C-N 3.35Å; V37-V39 PolarHBondContact O-N 3.03Å; V37-F41 VanDerWaalsContact O-CE2 3.29Å; V37-F41 WeakPolarHBondContact O-CE2 3.08Å
38S38.7Very low49.8Very low76 Ų76104.7 Ų104.753%0.53151%0.512SS..  trans-69.869162.875.20000109.8E35 N36 Q40E35-S38 WeakPolarHBondContact O-CB 3.25Å; E35-S38 PolarHBondContact O-N 2.78Å; N36-S38 PolarHBondContact O-N 2.85Å; N36-S38 VanDerWaalsContact O-N 3.12Å; S38-Q40 PolarHBondContact O-N 2.76Å
39V41Very low49.1Very low99 Ų99104 Ų10460%0.651%0.512SS*.  trans-50.7126.3131.7-167.10000103.6V37 F41V37-V39 PolarHBondContact O-N 3.03Å; V39-F41 HydrophobicContact CB-CE1 4.35Å; V39-F41 WeakPolarHBondContact O-CD2 3.4Å; V39-F41 WeakPolarHBondContact O-CG 3.3Å; V39-F41 PolarHBondContact O-N 2.86Å
40Q42.4Very low48.5Very low136 Ų136101.1 Ų101.164%0.63651%0.511SS*.  trans-56.683.8178.3-117.1173.1-13.700108.2S38 R42S38-Q40 PolarHBondContact O-N 2.76Å; Q40-R42 PolarHBondContact O-N 2.85Å
41F46.8Very low48.4Very low80 Ų8095.7 Ų95.735%0.35149%0.492SS..  trans-65113.5-179.7-69.7-59.2000104.9V37 V39 M45V37-F41 VanDerWaalsContact O-CE2 3.29Å; V37-F41 WeakPolarHBondContact O-CE2 3.08Å; V39-F41 HydrophobicContact CB-CE1 4.35Å; V39-F41 WeakPolarHBondContact O-CD2 3.4Å; V39-F41 WeakPolarHBondContact O-CG 3.3Å; V39-F41 PolarHBondContact O-N 2.86Å; F41-M45 HydrophobicContact CB-CB 4.28Å; F41-M45 HydrophobicContact CB-CE 4.41Å; F41-M45 HydrophobicContact CB-CG 4.22Å; F41-M45 HydrophobicContact CD1-CE 3.09Å; F41-M45 HydrophobicContact CD1-CG 4.12Å; F41-M45 HydrophobicContact CD1-SD 3.6Å; F41-M45 VanDerWaalsContact CD1-SD 3.6Å; F41-M45 HydrophobicContact CE1-CE 3.42Å; F41-M45 VanDerWaalsContact CE1-CE 3.42Å; F41-M45 HydrophobicContact CE1-SD 3.61Å; F41-M45 HydrophobicContact CG-CE 3.97Å; F41-M45 HydrophobicContact CG-CG 4.08Å; F41-M45 HydrophobicContact CG-SD 4.13Å; F41-M45 HydrophobicContact CZ-SD 4.21Å
42R46.8Very low48.6Very low233 Ų23395.7 Ų95.788%0.87950%0.499SS*.  trans-111129.7-175.1-170-175.1-101.1-108.13.2106.6Q40Q40-R42 PolarHBondContact O-N 2.85Å
43G59.4Low48.8Very low39 Ų3997.4 Ų97.440%0.40252%0.516SS..SBendtrans94.4-137178.600000113.3M45 Q46G43-M45 VanDerWaalsContact C-N 3.28Å; G43-M45 PolarHBondContact O-N 2.94Å; G43-Q46 WeakPolarHBondContact O-CB 3.33Å; G43-Q46 PolarHBondContact O-N 2.82Å
44Q52.3Low49.3Very low107 Ų10795.7 Ų95.750%0.551%0.511SS..Hα-helixtrans-65.9-26.1-161.5-56.8-178.138.200113.8Q46 D47 A48Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q44-D47 WeakPolarHBondContact O-CB 3.44Å; Q44-D47 PolarHBondContact O-N 2.83Å; Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 2.76Å
45M54.8Low50Low51 Ų5196 Ų9625%0.25152%0.52SS..Hα-helixtrans-71.4-26.1175.8-169.6153.428.700113.4F41 G43 L49F41-M45 HydrophobicContact CB-CB 4.28Å; F41-M45 HydrophobicContact CB-CE 4.41Å; F41-M45 HydrophobicContact CB-CG 4.22Å; F41-M45 HydrophobicContact CD1-CE 3.09Å; F41-M45 HydrophobicContact CD1-CG 4.12Å; F41-M45 HydrophobicContact CD1-SD 3.6Å; F41-M45 VanDerWaalsContact CD1-SD 3.6Å; F41-M45 HydrophobicContact CE1-CE 3.42Å; F41-M45 VanDerWaalsContact CE1-CE 3.42Å; F41-M45 HydrophobicContact CE1-SD 3.61Å; F41-M45 HydrophobicContact CG-CE 3.97Å; F41-M45 HydrophobicContact CG-CG 4.08Å; F41-M45 HydrophobicContact CG-SD 4.13Å; F41-M45 HydrophobicContact CZ-SD 4.21Å; G43-M45 VanDerWaalsContact C-N 3.28Å; G43-M45 PolarHBondContact O-N 2.94Å; M45-L49 WeakPolarHBondContact O-CG 3.3Å; M45-L49 PolarHBondContact O-N 2.89Å
46Q55.6Low50.3Low126 Ų12693.8 Ų93.859%0.58952%0.516SS*.Hα-helixtrans-73.6-38.1169.9-166.9173.41800111.1G43 Q44 L49 A50G43-Q46 WeakPolarHBondContact O-CB 3.33Å; G43-Q46 PolarHBondContact O-N 2.82Å; Q44-Q46 VanDerWaalsContact C-N 3.34Å; Q46-L49 PolarHBondContact O-N 3.15Å; Q46-A50 PolarHBondContact O-N 2.83Å; Q46-A50 VanDerWaalsContact O-N 3.09Å
47D55.3Low50.9Low113 Ų11399.3 Ų99.360%0.60454%0.539SS*.Hα-helixtrans-67.5-36.4175.4-63.3-29.6000111.6Q44 A50 F51Q44-D47 WeakPolarHBondContact O-CB 3.44Å; Q44-D47 PolarHBondContact O-N 2.83Å; D47-A50 PolarHBondContact O-N 3.37Å; D47-F51 WeakPolarHBondContact O-CB 3.39Å; D47-F51 PolarHBondContact O-N 2.79Å
48A55.8Low51.6Low9 Ų9103.1 Ų103.17%0.07456%0.557CS.*Hα-helixtrans-67.7-39.5174.800000112.9Q44 A50 F51 V52 V63 L67Q44-A48 WeakPolarHBondContact O-CB 3.42Å; Q44-A48 PolarHBondContact O-N 2.76Å; A48-A50 VanDerWaalsContact C-N 3.34Å; A48-F51 WeakPolarHBondContact O-CB 3.17Å; A48-F51 PolarHBondContact O-N 2.96Å; A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 2.8Å; A48-V63 HydrophobicContact CB-CG1 3.73Å; A48-L67 HydrophobicContact CB-CD1 3.92Å; A48-L67 HydrophobicContact CB-CD2 3.83Å; A48-L67 HydrophobicContact CB-CG 4.09Å
49L55.3Low52.4Low105 Ų105103.9 Ų103.955%0.5556%0.555SS.*Hα-helixtrans-65.8-37173.6-75.4169000112.2M45 Q46 F51 C53M45-L49 WeakPolarHBondContact O-CG 3.3Å; M45-L49 PolarHBondContact O-N 2.89Å; Q46-L49 PolarHBondContact O-N 3.15Å; L49-F51 VanDerWaalsContact C-N 3.3Å; L49-C53 PolarHBondContact O-N 2.81Å; L49-C53 PolarHBondContact O-SG 2.67Å; L49-C53 VanDerWaalsContact O-SG 3.33Å
50A55.2Low53.2Low71 Ų71104.3 Ų104.359%0.58755%0.55SS**Hα-helixtrans-65-34.7172.600000112.1Q46 D47 A48Q46-A50 PolarHBondContact O-N 2.83Å; Q46-A50 VanDerWaalsContact O-N 3.09Å; D47-A50 PolarHBondContact O-N 3.37Å; A48-A50 VanDerWaalsContact C-N 3.34Å
51F55.3Low54.4Low40 Ų40105.3 Ų105.318%0.17556%0.555CS.*Hα-helixtrans-71.2-43.6176.4177.4-95.6000113.3D47 A48 L49 C53 G54 T56 L59 E60 V63D47-F51 WeakPolarHBondContact O-CB 3.39Å; D47-F51 PolarHBondContact O-N 2.79Å; A48-F51 WeakPolarHBondContact O-CB 3.17Å; A48-F51 PolarHBondContact O-N 2.96Å; L49-F51 VanDerWaalsContact C-N 3.3Å; F51-C53 PolarHBondContact O-N 3.14Å; F51-G54 CarbonylContact O-C 3.58Å; F51-G54 PolarHBondContact O-N 2.82Å; F51-G54 VanDerWaalsContact O-O 3.08Å; F51-T56 WeakPolarHBondContact CZ-O 3.36Å; F51-L59 HydrophobicContact CD2-CB 4.44Å; F51-L59 HydrophobicContact CE1-CB 4.48Å; F51-L59 HydrophobicContact CE2-CB 3.28Å; F51-L59 HydrophobicContact CE2-CD1 4.4Å; F51-L59 HydrophobicContact CE2-CD2 4.48Å; F51-L59 HydrophobicContact CE2-CG 4.25Å; F51-L59 VanDerWaalsContact CZ-C 3.48Å; F51-L59 HydrophobicContact CZ-CB 3.3Å; F51-E60 HydrophobicContact CE1-CB 4.19Å; F51-E60 HydrophobicContact CZ-CB 4.49Å; F51-V63 HydrophobicContact CB-CG2 4.45Å; F51-V63 HydrophobicContact CD1-CB 4.07Å; F51-V63 HydrophobicContact CD1-CG1 4.11Å; F51-V63 HydrophobicContact CD1-CG2 3.68Å; F51-V63 HydrophobicContact CD2-CG2 4.25Å; F51-V63 HydrophobicContact CE1-CB 4.26Å; F51-V63 HydrophobicContact CE1-CG2 3.96Å; F51-V63 HydrophobicContact CE2-CG2 4.5Å; F51-V63 HydrophobicContact CG-CG2 3.84Å; F51-V63 HydrophobicContact CZ-CG2 4.35Å
52V55.2Low55.5Low116 Ų116104.5 Ų104.570%0.70356%0.557SS**Hα-helixtrans-62.2-26.2177.5172.90000111.9A48 G54A48-V52 WeakPolarHBondContact O-CG2 3.14Å; A48-V52 PolarHBondContact O-N 2.8Å; V52-G54 VanDerWaalsContact C-N 3.25Å; V52-G54 PolarHBondContact O-N 2.78Å
53C53.3Low56.8Low120 Ų12094.5 Ų94.581%0.81152%0.522SS*.THydrogen-bonded Turntrans-76.5-2.6173.3-66.20000114.4L49 F51L49-C53 PolarHBondContact O-N 2.81Å; L49-C53 PolarHBondContact O-SG 2.67Å; L49-C53 VanDerWaalsContact O-SG 3.33Å; F51-C53 PolarHBondContact O-N 3.14Å
54G52.8Low57.5Low41 Ų4196.7 Ų96.742%0.42353%0.527SS..SBendtrans-145.696.2-17900000113.4F51 V52 T56F51-G54 CarbonylContact O-C 3.58Å; F51-G54 PolarHBondContact O-N 2.82Å; F51-G54 VanDerWaalsContact O-O 3.08Å; V52-G54 VanDerWaalsContact C-N 3.25Å; V52-G54 PolarHBondContact O-N 2.78Å; G54-T56 PolarHBondContact O-N 2.82Å
55Q51.6Low58.6Low197 Ų19794 Ų9492%0.92152%0.52SS*.  trans-43.4125.8-176.3-69.4179.3-15.800116.1
56T48.8Very low59.8Low78 Ų7898.6 Ų98.648%0.47954%0.535SS..  trans-160.1122.4144.921.60000110.6F51 G54 D58F51-T56 WeakPolarHBondContact CZ-O 3.36Å; G54-T56 PolarHBondContact O-N 2.82Å; T56-D58 PolarHBondContact O-N 3.3Å
57Q53.6Low60.9Low173 Ų17395.2 Ų95.281%0.80852%0.52SS*.Hα-helixtrans-64.7-31.8-173.4-91170.6-25.300115.1L59 E60Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.42Å; Q57-E60 WeakPolarHBondContact O-CB 3.38Å; Q57-E60 PolarHBondContact O-N 3.35Å
58D53.6Low62.1Low155 Ų15596 Ų9683%0.82952%0.518SS*.Hα-helixtrans-78.1-18.3-174.3-133.122.5000113T56T56-D58 PolarHBondContact O-N 3.3Å
59L55.1Low63.5Low92 Ų92101.9 Ų101.948%0.48254%0.544SS..Hα-helixtrans-94.5-15.9175.2-82.3131.5000112.3F51 Q57 T62 V63F51-L59 HydrophobicContact CD2-CB 4.44Å; F51-L59 HydrophobicContact CE1-CB 4.48Å; F51-L59 HydrophobicContact CE2-CB 3.28Å; F51-L59 HydrophobicContact CE2-CD1 4.4Å; F51-L59 HydrophobicContact CE2-CD2 4.48Å; F51-L59 HydrophobicContact CE2-CG 4.25Å; F51-L59 VanDerWaalsContact CZ-C 3.48Å; F51-L59 HydrophobicContact CZ-CB 3.3Å; Q57-L59 VanDerWaalsContact C-N 3.32Å; Q57-L59 PolarHBondContact O-N 3.42Å; L59-T62 PolarHBondContact O-N 2.92Å; L59-V63 WeakPolarHBondContact O-CG2 3.4Å; L59-V63 PolarHBondContact O-N 3.11Å
60E59.3Low64.9Low108 Ų10898.4 Ų98.451%0.50553%0.525SS..Hα-helixtrans-64.2-44.4-178.8-166.2175.5177.900111.4F51 Q57 T62 V63 V64F51-E60 HydrophobicContact CE1-CB 4.19Å; F51-E60 HydrophobicContact CZ-CB 4.49Å; Q57-E60 WeakPolarHBondContact O-CB 3.38Å; Q57-E60 PolarHBondContact O-N 3.35Å; E60-T62 VanDerWaalsContact C-N 3.28Å; E60-T62 PolarHBondContact O-N 2.88Å; E60-V63 PolarHBondContact O-N 3.49Å; E60-V64 WeakPolarHBondContact O-CB 3.44Å; E60-V64 WeakPolarHBondContact O-CG2 3.2Å; E60-V64 PolarHBondContact O-N 2.82Å
61E66.6Low66.5Low158 Ų15898.6 Ų98.674%0.73852%0.519SS*.Hα-helixtrans-63.6-34.5176.8-168.7172.1-17100112.2S65E61-S65 WeakPolarHBondContact O-CB 3.31Å; E61-S65 PolarHBondContact O-N 3.47Å; E61-S65 PolarHBondContact O-OG 2.91Å
62T70.8Confident68.1Low62 Ų62100.4 Ų100.438%0.3853%0.528SS..Hα-helixtrans-72.9-36176.5-59.70000112.2L59 E60 S65 R66L59-T62 PolarHBondContact O-N 2.92Å; E60-T62 VanDerWaalsContact C-N 3.28Å; E60-T62 PolarHBondContact O-N 2.88Å; T62-S65 WeakPolarHBondContact CA-OG 3.41Å; T62-S65 PolarHBondContact O-OG 3.49Å; T62-R66 VanDerWaalsContact O-CG 3.26Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 2.7Å
63V72.9Confident69.9Low24 Ų24100.8 Ų100.815%0.14552%0.522CS..Hα-helixtrans-72.1-41.9175.7171.80000110.4A48 F51 L59 E60 R66 L67A48-V63 HydrophobicContact CB-CG1 3.73Å; F51-V63 HydrophobicContact CB-CG2 4.45Å; F51-V63 HydrophobicContact CD1-CB 4.07Å; F51-V63 HydrophobicContact CD1-CG1 4.11Å; F51-V63 HydrophobicContact CD1-CG2 3.68Å; F51-V63 HydrophobicContact CD2-CG2 4.25Å; F51-V63 HydrophobicContact CE1-CB 4.26Å; F51-V63 HydrophobicContact CE1-CG2 3.96Å; F51-V63 HydrophobicContact CE2-CG2 4.5Å; F51-V63 HydrophobicContact CG-CG2 3.84Å; F51-V63 HydrophobicContact CZ-CG2 4.35Å; L59-V63 WeakPolarHBondContact O-CG2 3.4Å; L59-V63 PolarHBondContact O-N 3.11Å; E60-V63 PolarHBondContact O-N 3.49Å; V63-R66 PolarHBondContact O-N 3.39Å; V63-L67 HydrophobicContact CG1-CD1 4.1Å; V63-L67 HydrophobicContact CG1-CG 4.43Å; V63-L67 WeakPolarHBondContact O-CB 3.28Å; V63-L67 WeakPolarHBondContact O-CG 3.32Å; V63-L67 PolarHBondContact O-N 3.39Å
64V75Confident71.6Confident85 Ų8599.3 Ų99.352%0.51551%0.505SS..Hα-helixtrans-63.1-41.6176.2170.90000111.4E60 L67 K68E60-V64 WeakPolarHBondContact O-CB 3.44Å; E60-V64 WeakPolarHBondContact O-CG2 3.2Å; E60-V64 PolarHBondContact O-N 2.82Å; V64-L67 PolarHBondContact O-N 2.74Å; V64-K68 WeakPolarHBondContact O-CB 3.35Å; V64-K68 PolarHBondContact O-N 3.47Å
65S74.8Confident73.4Confident51 Ų51103.1 Ų103.136%0.35751%0.512SS..Hα-helixtrans-65.4-41.8177.262.50000112.4E61 T62 K68 E69E61-S65 WeakPolarHBondContact O-CB 3.31Å; E61-S65 PolarHBondContact O-N 3.47Å; E61-S65 PolarHBondContact O-OG 2.91Å; T62-S65 WeakPolarHBondContact CA-OG 3.41Å; T62-S65 PolarHBondContact O-OG 3.49Å; S65-K68 WeakPolarHBondContact O-CB 3.38Å; S65-K68 PolarHBondContact O-N 3.43Å; S65-E69 WeakPolarHBondContact O-CG 3.43Å; S65-E69 PolarHBondContact O-N 3.01Å
66R79.9Confident75.3Confident146 Ų146100.2 Ų100.255%0.55150%0.497SS*.Hα-helixtrans-63.2-45.2174.3-73.1175.6-177.2-167.72.2112.9T62 V63 K68 E69 E70T62-R66 VanDerWaalsContact O-CG 3.26Å; T62-R66 WeakPolarHBondContact O-CG 3.49Å; T62-R66 PolarHBondContact O-N 2.7Å; V63-R66 PolarHBondContact O-N 3.39Å; R66-K68 VanDerWaalsContact C-N 3.26Å; R66-K68 PolarHBondContact O-N 2.86Å; R66-E69 PolarHBondContact O-N 3.38Å; R66-E70 PolarHBondContact O-N 2.91Å
67L78.8Confident77.3Confident55 Ų55100.2 Ų100.229%0.28849%0.494SS..Hα-helixtrans-61.1-39.2175.5-74.8174.3000111.3A48 V63 V64 E70 V71A48-L67 HydrophobicContact CB-CD1 3.92Å; A48-L67 HydrophobicContact CB-CD2 3.83Å; A48-L67 HydrophobicContact CB-CG 4.09Å; V63-L67 HydrophobicContact CG1-CD1 4.1Å; V63-L67 HydrophobicContact CG1-CG 4.43Å; V63-L67 WeakPolarHBondContact O-CB 3.28Å; V63-L67 WeakPolarHBondContact O-CG 3.32Å; V63-L67 PolarHBondContact O-N 3.39Å; V64-L67 PolarHBondContact O-N 2.74Å; L67-E70 PolarHBondContact O-N 3.26Å; L67-V71 WeakPolarHBondContact O-CB 3.27Å; L67-V71 VanDerWaalsContact O-CG2 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.5Å; L67-V71 PolarHBondContact O-N 3.18Å
68K80.8Confident78.9Confident130 Ų13097 Ų9757%0.56548%0.481SS*.Hα-helixtrans-63.6-45.2176.1-174.3-178.1175.5-1720111.6V64 S65 R66 V71 E72V64-K68 WeakPolarHBondContact O-CB 3.35Å; V64-K68 PolarHBondContact O-N 3.47Å; S65-K68 WeakPolarHBondContact O-CB 3.38Å; S65-K68 PolarHBondContact O-N 3.43Å; R66-K68 VanDerWaalsContact C-N 3.26Å; R66-K68 PolarHBondContact O-N 2.86Å; K68-V71 PolarHBondContact O-N 3.05Å; K68-E72 VanDerWaalsContact CE-OE1 3.3Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 3.23Å
69E85.6Confident80.6Confident133 Ų13396 Ų9662%0.62147%0.47SS*.Hα-helixtrans-60.2-44175.3-73.7175.1-176.100111.7S65 R66 E72 E73S65-E69 WeakPolarHBondContact O-CG 3.43Å; S65-E69 PolarHBondContact O-N 3.01Å; R66-E69 PolarHBondContact O-N 3.38Å; E69-E72 PolarHBondContact O-N 3Å; E69-E73 PolarHBondContact O-N 3.43Å
70E84.9Confident82.3Confident32 Ų3296.1 Ų96.115%0.1547%0.47CS..Hα-helixtrans-63.1-43.1177.3-174.2176.8-176.100111.8R66 L67 E73 L74R66-E70 PolarHBondContact O-N 2.91Å; L67-E70 PolarHBondContact O-N 3.26Å; E70-E73 PolarHBondContact O-N 3.24Å; E70-L74 HydrophobicContact CG-CD1 4.09Å; E70-L74 HydrophobicContact CG-CG 4.48Å; E70-L74 WeakPolarHBondContact O-CB 3.46Å; E70-L74 VanDerWaalsContact O-CG 3.25Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 3.48Å
71V87.4Confident83.6Confident74 Ų7496.3 Ų96.345%0.44847%0.471SS..Hα-helixtrans-62.5-44.7174.9169.80000110.9L67 K68 E73 L74 E75L67-V71 WeakPolarHBondContact O-CB 3.27Å; L67-V71 VanDerWaalsContact O-CG2 3.28Å; L67-V71 WeakPolarHBondContact O-CG2 3.5Å; L67-V71 PolarHBondContact O-N 3.18Å; K68-V71 PolarHBondContact O-N 3.05Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.31Å; V71-L74 PolarHBondContact O-N 3.41Å; V71-E75 HydrophobicContact CG1-CG 4.29Å; V71-E75 WeakPolarHBondContact O-CB 3.29Å; V71-E75 VanDerWaalsContact O-CG 3.28Å; V71-E75 WeakPolarHBondContact O-CG 3.34Å; V71-E75 PolarHBondContact O-N 3.45Å
72E90.4Very high84.7Confident79 Ų7990.5 Ų90.537%0.36945%0.447SS..Hα-helixtrans-63-35177.2-76-178-163.100112.6K68 E69 K76K68-E72 VanDerWaalsContact CE-OE1 3.3Å; K68-E72 WeakPolarHBondContact CE-OE1 3.41Å; K68-E72 WeakPolarHBondContact O-CG 3.38Å; K68-E72 PolarHBondContact O-N 3.23Å; E69-E72 PolarHBondContact O-N 3Å; E72-K76 WeakPolarHBondContact O-CD 3.32Å; E72-K76 VanDerWaalsContact O-CG 3.23Å; E72-K76 WeakPolarHBondContact O-CG 2.86Å; E72-K76 PolarHBondContact O-N 3.05Å
73E91.8Very high85.4Confident123 Ų12393.9 Ų93.958%0.57546%0.458SS*.Hα-helixtrans-68.9-48.4173.7-170.3176.2-17500111.3E69 E70 V71 E75 K76 D77E69-E73 PolarHBondContact O-N 3.43Å; E70-E73 PolarHBondContact O-N 3.24Å; V71-E73 VanDerWaalsContact C-N 3.3Å; V71-E73 PolarHBondContact O-N 3.31Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 2.89Å; E73-K76 WeakPolarHBondContact O-CB 3.37Å; E73-K76 PolarHBondContact O-N 3.37Å; E73-K76 VanDerWaalsContact O-N 3.1Å; E73-D77 PolarHBondContact O-N 3.19Å
74L89.9Confident86Confident89 Ų8998.5 Ų98.547%0.46648%0.48SS..Hα-helixtrans-61.1-36.9177.4-72172.5000112.4E70 V71 D77 L78E70-L74 HydrophobicContact CG-CD1 4.09Å; E70-L74 HydrophobicContact CG-CG 4.48Å; E70-L74 WeakPolarHBondContact O-CB 3.46Å; E70-L74 VanDerWaalsContact O-CG 3.25Å; E70-L74 WeakPolarHBondContact O-CG 3.42Å; E70-L74 PolarHBondContact O-N 3.48Å; V71-L74 PolarHBondContact O-N 3.41Å; L74-D77 PolarHBondContact O-N 3.47Å; L74-L78 VanDerWaalsContact O-CB 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.93Å
75E88.9Confident86.5Confident122 Ų12298.1 Ų98.157%0.5747%0.474SS*.Hα-helixtrans-65.7-40.2174.4-77.4179.7173.200112.1V71 E73 K79V71-E75 HydrophobicContact CG1-CG 4.29Å; V71-E75 WeakPolarHBondContact O-CB 3.29Å; V71-E75 VanDerWaalsContact O-CG 3.28Å; V71-E75 WeakPolarHBondContact O-CG 3.34Å; V71-E75 PolarHBondContact O-N 3.45Å; E73-E75 VanDerWaalsContact C-N 3.3Å; E73-E75 PolarHBondContact O-N 2.89Å; E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 2.87Å
76K91.8Very high87.1Confident136 Ų13696.6 Ų96.659%0.59147%0.467SS*.Hα-helixtrans-64.6-44.8174.9-72.5164.2-166.8155.10110.9E72 E73 K79 L80E72-K76 WeakPolarHBondContact O-CD 3.32Å; E72-K76 VanDerWaalsContact O-CG 3.23Å; E72-K76 WeakPolarHBondContact O-CG 2.86Å; E72-K76 PolarHBondContact O-N 3.05Å; E73-K76 WeakPolarHBondContact O-CB 3.37Å; E73-K76 PolarHBondContact O-N 3.37Å; E73-K76 VanDerWaalsContact O-N 3.1Å; K76-K79 PolarHBondContact O-N 2.97Å; K76-L80 WeakPolarHBondContact O-CB 3.47Å; K76-L80 PolarHBondContact O-N 2.91Å
77D90.6Very high87.7Confident77 Ų7791 Ų9141%0.41245%0.448SS..Hα-helixtrans-63.8-44.7177.5-81.5-2.2000111.6E73 L74 K79 L80 Q81E73-D77 PolarHBondContact O-N 3.19Å; L74-D77 PolarHBondContact O-N 3.47Å; D77-K79 VanDerWaalsContact C-N 3.31Å; D77-K79 PolarHBondContact O-N 2.73Å; D77-L80 PolarHBondContact O-N 2.78Å; D77-Q81 WeakPolarHBondContact O-CB 3.5Å; D77-Q81 WeakPolarHBondContact O-CG 3.08Å; D77-Q81 PolarHBondContact O-N 2.83Å
78L88.4Confident88.3Confident105 Ų10590.2 Ų90.255%0.5545%0.447SS..Hα-helixtrans-60.9-42.2176.1-179.662.3000111.2L74 Q81 T82L74-L78 VanDerWaalsContact O-CB 3.24Å; L74-L78 WeakPolarHBondContact O-CB 3.49Å; L74-L78 PolarHBondContact O-N 2.93Å; L78-Q81 PolarHBondContact O-N 2.83Å; L78-T82 VanDerWaalsContact O-CB 3.29Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 PolarHBondContact O-N 2.88Å; L78-T82 PolarHBondContact O-OG1 2.79Å
79K89.4Confident88.8Confident136 Ų13688.7 Ų88.759%0.59144%0.444SS*.Hα-helixtrans-62.3-45.4175.7-177.1177.8-179.7178.70111.4E75 K76 D77 T82 Q83E75-K79 VanDerWaalsContact O-CB 3.32Å; E75-K79 WeakPolarHBondContact O-CB 3.39Å; E75-K79 PolarHBondContact O-N 2.87Å; K76-K79 PolarHBondContact O-N 2.97Å; D77-K79 VanDerWaalsContact C-N 3.31Å; D77-K79 PolarHBondContact O-N 2.73Å; K79-T82 PolarHBondContact O-N 2.84Å; K79-Q83 WeakPolarHBondContact O-CG 3.35Å; K79-Q83 PolarHBondContact O-N 3.12Å
80L90.1Very high88.9Confident93 Ų9387.5 Ų87.549%0.48744%0.442SS..Hα-helixtrans-62.6-46.3177.6-178.465.2000111.2K76 D77 T82 Q83 M84K76-L80 WeakPolarHBondContact O-CB 3.47Å; K76-L80 PolarHBondContact O-N 2.91Å; D77-L80 PolarHBondContact O-N 2.78Å; L80-T82 VanDerWaalsContact C-N 3.32Å; L80-T82 PolarHBondContact O-N 2.82Å; L80-Q83 PolarHBondContact O-N 3.22Å; L80-M84 HydrophobicContact CD1-SD 4.48Å; L80-M84 HydrophobicContact CG-SD 4.23Å; L80-M84 WeakPolarHBondContact O-CG 3.39Å; L80-M84 PolarHBondContact O-N 3.33Å
81Q87.4Confident89.1Confident113 Ų11388.3 Ų88.353%0.52845%0.451SS..Hα-helixtrans-61.2-41.5176.5-74.5-175.63.400111.8D77 L78 M84 N85D77-Q81 WeakPolarHBondContact O-CB 3.5Å; D77-Q81 WeakPolarHBondContact O-CG 3.08Å; D77-Q81 PolarHBondContact O-N 2.83Å; L78-Q81 PolarHBondContact O-N 2.83Å; Q81-M84 PolarHBondContact O-N 3.38Å; Q81-N85 WeakPolarHBondContact O-CB 3.4Å; Q81-N85 VanDerWaalsContact O-CG 3.22Å; Q81-N85 PolarHBondContact O-N 2.92Å; Q81-N85 PolarHBondContact O-ND2 3.15Å
82T87.9Confident89.3Confident36 Ų3688.6 Ų88.622%0.22146%0.456CS..Hα-helixtrans-61.6-45.1176.9-61.30000111L78 K79 L80 M84 N85 G86 C88L78-T82 VanDerWaalsContact O-CB 3.29Å; L78-T82 WeakPolarHBondContact O-CB 3.49Å; L78-T82 PolarHBondContact O-N 2.88Å; L78-T82 PolarHBondContact O-OG1 2.79Å; K79-T82 PolarHBondContact O-N 2.84Å; L80-T82 VanDerWaalsContact C-N 3.32Å; L80-T82 PolarHBondContact O-N 2.82Å; T82-M84 VanDerWaalsContact C-N 3.35Å; T82-M84 PolarHBondContact O-N 3.38Å; T82-N85 PolarHBondContact O-N 3.2Å; T82-G86 WeakPolarHBondContact O-CA 3.36Å; T82-G86 PolarHBondContact O-N 3.02Å; T82-C88 HydrophobicContact CG2-CB 4.23Å; T82-C88 WeakPolarHBondContact CG2-SG 3.34Å
83Q87.3Confident89.2Confident133 Ų13389.7 Ų89.762%0.62146%0.463SS*.Hα-helixtrans-62.4-40.8175.9-73176.2-12.400112.1K79 L80K79-Q83 WeakPolarHBondContact O-CG 3.35Å; K79-Q83 PolarHBondContact O-N 3.12Å; L80-Q83 PolarHBondContact O-N 3.22Å
84M84.3Confident89.2Confident121 Ų12186.7 Ų86.760%0.59645%0.453SS*.Hα-helixtrans-72.8-34.5178.9-72.5-178.565.800113.2L80 Q81 T82 R174L80-M84 HydrophobicContact CD1-SD 4.48Å; L80-M84 HydrophobicContact CG-SD 4.23Å; L80-M84 WeakPolarHBondContact O-CG 3.39Å; L80-M84 PolarHBondContact O-N 3.33Å; Q81-M84 PolarHBondContact O-N 3.38Å; T82-M84 VanDerWaalsContact C-N 3.35Å; T82-M84 PolarHBondContact O-N 3.38Å; M84-R174 PolarHBondContact O-NH1 3.4Å; M84-R174 PolarHBondContact O-NH2 3.24Å
85N85.4Confident89.2Confident76 Ų7689 Ų8941%0.40646%0.459SS..Hα-helixtrans-94.7-18.9-172.8-66.6-25.2000113.4Q81 T82 I87 R174Q81-N85 WeakPolarHBondContact O-CB 3.4Å; Q81-N85 VanDerWaalsContact O-CG 3.22Å; Q81-N85 PolarHBondContact O-N 2.92Å; Q81-N85 PolarHBondContact O-ND2 3.15Å; T82-N85 PolarHBondContact O-N 3.2Å; N85-I87 PolarHBondContact O-N 3.4Å; N85-R174 WeakPolarHBondContact O-CD 3.49Å; N85-R174 WeakPolarHBondContact O-CG 3.28Å; N85-R174 PolarHBondContact O-NE 2.95Å; N85-R174 PolarHBondContact O-NH1 2.88Å
86G88.7Confident89.3Confident20 Ų2084.9 Ų84.921%0.20644%0.443CS..  trans66.312.3-17600000113.9T82 S114T82-G86 WeakPolarHBondContact O-CA 3.36Å; T82-G86 PolarHBondContact O-N 3.02Å; G86-S114 WeakPolarHBondContact O-CA 3.47Å; G86-S114 WeakPolarHBondContact O-CB 3.37Å; G86-S114 PolarHBondContact O-OG 2.95Å
87I92.4Very high89.2Confident27 Ų2781.6 Ų81.614%0.13843%0.431CS..  trans-121.6123.6-177.9-66.2163.1000108.3N85 L89 F119 F170 R174N85-I87 PolarHBondContact O-N 3.4Å; I87-L89 HydrophobicContact CG2-CD2 4.37Å; I87-F119 HydrophobicContact CG2-CE1 3.92Å; I87-F119 HydrophobicContact CG2-CZ 3.65Å; I87-F170 HydrophobicContact CD1-CB 3.85Å; I87-F170 HydrophobicContact CD1-CD1 3.85Å; I87-F170 HydrophobicContact CD1-CG 4.24Å; I87-R174 HydrophobicContact CD1-CB 4.28Å; I87-R174 HydrophobicContact CG1-CB 4.41Å
88C91.4Very high88.9Confident39 Ų3982.7 Ų82.726%0.26443%0.434SS..EExtended strand (participates in β ladder)trans-103.2129.2172.2-55.10000109T82 G112 R113T82-C88 HydrophobicContact CG2-CB 4.23Å; T82-C88 WeakPolarHBondContact CG2-SG 3.34Å; C88-G112 CarbonylContact O-C 3.5Å; C88-G112 WeakPolarHBondContact O-CA 3.15Å; C88-R113 HydrophobicContact CB-CG 4.14Å; C88-R113 PolarHBondContact N-O 2.95Å; C88-R113 PolarHBondContact O-N 3.5Å
89L90.7Very high88.8Confident99 Ų9981.9 Ų81.952%0.51844%0.437SS..EExtended strand (participates in β ladder)trans-96.6129.2170.2-63178.1000109.4I87 F119I87-L89 HydrophobicContact CG2-CD2 4.37Å; L89-F119 HydrophobicContact CD2-CE2 4.12Å; L89-F119 HydrophobicContact CD2-CZ 3.99Å
90N87.9Confident88.3Confident107 Ų10784.5 Ų84.557%0.57244%0.443SS*.EExtended strand (participates in β ladder)trans-97.2-31.8-179.4-62-14.1000111.5S111N90-S111 PolarHBondContact N-O 3.27Å
91S89.6Confident87.9Confident50 Ų5084.1 Ų84.135%0.3546%0.461SS..EExtended strand (participates in β ladder)trans-153.3144.4179.2-177.60000110.7L110 S111S91-L110 WeakPolarHBondContact O-CA 3.44Å; S91-S111 WeakPolarHBondContact CB-OG 3.3Å; S91-S111 PolarHBondContact N-O 3.09Å; S91-S111 PolarHBondContact N-OG 3.44Å; S91-S111 PolarHBondContact O-N 3.04Å
92C90.1Very high87.7Confident80 Ų8084.6 Ų84.654%0.54146%0.464SS..EExtended strand (participates in β ladder)trans-134114.5170.4177.20000107.4C109 L110C92-C109 WeakPolarHBondContact CA-O 3.38Å; C92-L110 HydrophobicContact CB-CD2 3.79Å; C92-L110 WeakPolarHBondContact SG-CD2 3.48Å
93I90Very high87.7Confident102 Ų10285.9 Ų85.952%0.52347%0.467SS..EExtended strand (participates in β ladder)trans-115.8123.7178.8-58.1173.6000107.1V108 C109I93-V108 CarbonylContact O-C 3.45Å; I93-V108 WeakPolarHBondContact O-CA 3.38Å; I93-C109 HydrophobicContact CB-CB 4.46Å; I93-C109 PolarHBondContact N-O 2.59Å; I93-C109 PolarHBondContact O-N 2.8Å
94T90.3Very high87.9Confident59 Ų5980.6 Ų80.636%0.36244%0.444SS..EExtended strand (participates in β ladder)trans-116.6126.7175-60.20000108.9H106 Q107 V108T94-H106 HydrophobicContact CG2-CB 3.87Å; T94-Q107 CarbonylContact C-O 3.59Å; T94-Q107 WeakPolarHBondContact CA-O 3.35Å; T94-V108 HydrophobicContact CG2-CG2 4.24Å
95K90.3Very high88.2Confident138 Ų13875 Ų7560%0.642%0.417SS*.EExtended strand (participates in β ladder)trans-123.4121.6177.5-177.7-179.5-179.7-179.50109.8L97 H106 Q107K95-L97 PolarHBondContact O-N 2.88Å; K95-H106 CarbonylContact O-C 3.53Å; K95-H106 WeakPolarHBondContact O-CA 3.43Å; K95-Q107 HydrophobicContact CB-CB 4.4Å; K95-Q107 PolarHBondContact N-O 2.96Å; K95-Q107 PolarHBondContact O-N 3.28Å
96T91.3Very high88.5Confident36 Ų3672.6 Ų72.622%0.22140%0.403CS..EExtended strand (participates in β ladder)trans-69.5117.1172.1-55.20000109.4N36 V104 H106N36-T96 PolarHBondContact OD1-OG1 3.33Å; T96-V104 HydrophobicContact CG2-CG1 3.86Å; T96-H106 PolarHBondContact OG1-CE1 3.03Å; T96-H106 PolarHBondContact OG1-ND1 3.24Å; T96-H106 VanDerWaalsContact OG1-ND1 3.14Å
97L88.7Confident88.8Confident67 Ų6773.5 Ų73.535%0.35140%0.402SS..EExtended strand (participates in β ladder)trans-87.9-42.5178.4-63.2-179.5000111.5K95 V105 Q107 Q124K95-L97 PolarHBondContact O-N 2.88Å; L97-V105 HydrophobicContact CD1-CG1 4.36Å; L97-V105 PolarHBondContact N-O 3.34Å; L97-Q107 HydrophobicContact CD1-CB 4.02Å; L97-Q107 VanDerWaalsContact CD1-OE1 3.3Å; L97-Q107 HydrophobicContact CD2-CB 3.96Å; L97-Q107 HydrophobicContact CG-CB 3.93Å; L97-Q124 HydrophobicContact CD1-CG 4.23Å
98Q85Confident88.9Confident99 Ų9972.7 Ų72.746%0.46340%0.398SS..EExtended strand (participates in β ladder)trans-147.6139.6-174.8-60.7-175.19.600109.7V104 V105Q98-V104 CarbonylContact O-C 3.58Å; Q98-V104 WeakPolarHBondContact O-CA 3.34Å; Q98-V105 HydrophobicContact CB-CB 4.38Å; Q98-V105 PolarHBondContact N-O 2.92Å; Q98-V105 PolarHBondContact O-N 3.41Å
99S87.3Confident89Confident88 Ų8872.8 Ų72.862%0.61540%0.399SS*.EExtended strand (participates in β ladder)trans-132.4107.2168.9-177.80000106.9
100R78.7Confident89.2Confident192 Ų19269.1 Ų69.173%0.72538%0.379SS*.EExtended strand (participates in β ladder)trans-131106.2-176.9-71.6-172179-151.41.1109.6Q102 E103R100-Q102 PolarHBondContact O-N 3.06Å; R100-Q102 VanDerWaalsContact O-N 3.07Å; R100-E103 PolarHBondContact N-O 3.29Å; R100-E103 PolarHBondContact O-N 3.42Å
101G81.7Confident89.5Confident84 Ų8465.4 Ų65.487%0.86636%0.362SS*.THydrogen-bonded Turntrans59.4-112.5177.900000111.7
102Q82.6Confident89.7Confident124 Ų12463 Ų6358%0.57935%0.345SS*.THydrogen-bonded Turntrans-91.1-6.9179.7-74.9178.1-2700114.1R100 K129R100-Q102 PolarHBondContact O-N 3.06Å; R100-Q102 VanDerWaalsContact O-N 3.07Å; Q102-K129 HydrophobicContact CB-CB 4.49Å; Q102-K129 WeakPolarHBondContact CB-O 3.27Å; Q102-K129 VanDerWaalsContact CD-O 3.23Å; Q102-K129 WeakPolarHBondContact CG-O 3.44Å; Q102-K129 PolarHBondContact O-N 3.48Å; Q102-K129 PolarHBondContact OE1-O 3.29Å
103E88.2Confident89.9Confident62 Ų6265.4 Ų65.429%0.2934%0.343SS..EExtended strand (participates in β ladder)trans-107.1131.4-178.3-169.7168.3-121.800111.9R100 V105 E127 L128 R139R100-E103 PolarHBondContact N-O 3.29Å; R100-E103 PolarHBondContact O-N 3.42Å; E103-V105 HydrophobicContact CG-CG2 4.41Å; E103-E127 WeakPolarHBondContact CA-O 3.45Å; E103-L128 HydrophobicContact CB-CD1 3.98Å; E103-L128 HydrophobicContact CG-CD1 4.28Å; E103-R139 IonicContact OE1-CZ 2.8Å; E103-R139 IonicContact OE1-NH2 2.87Å; E103-R139 PolarHBondContact OE1-NH2 3.07Å; E103-R139 IonicContact OE2-CZ 3.78Å; E103-R139 IonicContact OE2-NH2 2.58Å; E103-R139 PolarHBondContact OE2-NH2 3.5Å
104V90.8Very high90.1Very high22 Ų2260.6 Ų60.613%0.13332%0.318CS..EExtended strand (participates in β ladder)trans-122.5135.8171.2-172.30000108.8T96 Q98 H106 S126 E127T96-V104 HydrophobicContact CG2-CG1 3.86Å; Q98-V104 CarbonylContact O-C 3.58Å; Q98-V104 WeakPolarHBondContact O-CA 3.34Å; V104-H106 VanDerWaalsContact CG1-CE1 3.44Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.4Å; V104-H106 WeakPolarHBondContact CG1-NE2 3.43Å; V104-S126 CarbonylContact O-C 3.58Å; V104-S126 WeakPolarHBondContact O-CA 3.45Å; V104-E127 PolarHBondContact N-O 3.14Å; V104-E127 PolarHBondContact O-N 3.46Å
105V91.6Very high90.1Very high4 Ų462.2 Ų62.22%0.02432%0.318CS..EExtended strand (participates in β ladder)trans-119.1125.5177.9-1750000109.1L97 Q98 E103 L125L97-V105 HydrophobicContact CD1-CG1 4.36Å; L97-V105 PolarHBondContact N-O 3.34Å; Q98-V105 HydrophobicContact CB-CB 4.38Å; Q98-V105 PolarHBondContact N-O 2.92Å; Q98-V105 PolarHBondContact O-N 3.41Å; E103-V105 HydrophobicContact CG-CG2 4.41Å; V105-L125 CarbonylContact C-O 3.59Å; V105-L125 WeakPolarHBondContact CA-O 3.04Å
106H92.3Very high90Very high26 Ų2664.2 Ų64.212%0.1233%0.33CS..EExtended strand (participates in β ladder)trans-112.2137.7177-55.6-75.8000110.7T94 K95 T96 V104 V108 Q124 L125T94-H106 HydrophobicContact CG2-CB 3.87Å; K95-H106 CarbonylContact O-C 3.53Å; K95-H106 WeakPolarHBondContact O-CA 3.43Å; T96-H106 PolarHBondContact OG1-CE1 3.03Å; T96-H106 PolarHBondContact OG1-ND1 3.24Å; T96-H106 VanDerWaalsContact OG1-ND1 3.14Å; V104-H106 VanDerWaalsContact CG1-CE1 3.44Å; V104-H106 WeakPolarHBondContact CG1-CE1 3.4Å; V104-H106 WeakPolarHBondContact CG1-NE2 3.43Å; H106-V108 HydrophobicContact CB-CG2 4.41Å; H106-Q124 CarbonylContact O-C 3.57Å; H106-Q124 VanDerWaalsContact O-CA 3.3Å; H106-Q124 WeakPolarHBondContact O-CA 3.17Å; H106-L125 PolarHBondContact N-O 2.99Å; H106-L125 PolarHBondContact O-N 3.3Å
107Q94.5Very high90Very high38 Ų3863.1 Ų63.118%0.17832%0.323CS..EExtended strand (participates in β ladder)trans-86.6122.6159.9-165.698.531.700107.2T94 K95 L97 E122T94-Q107 CarbonylContact C-O 3.59Å; T94-Q107 WeakPolarHBondContact CA-O 3.35Å; K95-Q107 HydrophobicContact CB-CB 4.4Å; K95-Q107 PolarHBondContact N-O 2.96Å; K95-Q107 PolarHBondContact O-N 3.28Å; L97-Q107 HydrophobicContact CD1-CB 4.02Å; L97-Q107 VanDerWaalsContact CD1-OE1 3.3Å; L97-Q107 HydrophobicContact CD2-CB 3.96Å; L97-Q107 HydrophobicContact CG-CB 3.93Å; Q107-E122 HydrophobicContact CG-CG 4.39Å; Q107-E122 PolarHBondContact NE2-OE1 3.22Å
108V93.7Very high90.2Very high10 Ų1062.7 Ų62.76%0.06132%0.322CS..EExtended strand (participates in β ladder)trans-113.4125.7176.3-175.60000108I93 T94 H106 L110 E122 F123 L125I93-V108 CarbonylContact O-C 3.45Å; I93-V108 WeakPolarHBondContact O-CA 3.38Å; T94-V108 HydrophobicContact CG2-CG2 4.24Å; H106-V108 HydrophobicContact CB-CG2 4.41Å; V108-L110 HydrophobicContact CG1-CD2 3.91Å; V108-L110 HydrophobicContact CG1-CG 4.14Å; V108-E122 CarbonylContact O-C 3.41Å; V108-E122 VanDerWaalsContact O-CA 3.32Å; V108-E122 WeakPolarHBondContact O-CA 3.48Å; V108-F123 HydrophobicContact CB-CD1 4.08Å; V108-F123 HydrophobicContact CB-CD2 4.26Å; V108-F123 HydrophobicContact CB-CE1 3.67Å; V108-F123 HydrophobicContact CB-CE2 3.86Å; V108-F123 HydrophobicContact CB-CG 4.36Å; V108-F123 HydrophobicContact CB-CZ 3.55Å; V108-F123 HydrophobicContact CG1-CD1 4.38Å; V108-F123 HydrophobicContact CG1-CE1 3.58Å; V108-F123 HydrophobicContact CG1-CE2 4.34Å; V108-F123 HydrophobicContact CG1-CZ 3.56Å; V108-F123 HydrophobicContact CG2-CE2 3.92Å; V108-F123 HydrophobicContact CG2-CZ 3.96Å; V108-F123 PolarHBondContact N-O 3.48Å; V108-F123 PolarHBondContact O-N 3Å; V108-L125 HydrophobicContact CG2-CB 4.44Å
109C94.5Very high90.7Very high42 Ų4258 Ų5828%0.28430%0.301SS..EExtended strand (participates in β ladder)trans-117.6118.6173.2-177.80000108.9C92 I93 V121C92-C109 WeakPolarHBondContact CA-O 3.38Å; I93-C109 HydrophobicContact CB-CB 4.46Å; I93-C109 PolarHBondContact N-O 2.59Å; I93-C109 PolarHBondContact O-N 2.8Å; C109-V121 CarbonylContact C-O 3.59Å; C109-V121 WeakPolarHBondContact CA-O 3.49Å
110L94.8Very high91.1Very high21 Ų2158.7 Ų58.711%0.1129%0.294CS..EExtended strand (participates in β ladder)trans-109.4138.7175.7-52.8176.3000108.5S91 C92 V108 Q120 V121 F123 F170S91-L110 WeakPolarHBondContact O-CA 3.44Å; C92-L110 HydrophobicContact CB-CD2 3.79Å; C92-L110 WeakPolarHBondContact SG-CD2 3.48Å; V108-L110 HydrophobicContact CG1-CD2 3.91Å; V108-L110 HydrophobicContact CG1-CG 4.14Å; L110-Q120 CarbonylContact O-C 3.49Å; L110-Q120 VanDerWaalsContact O-CA 3.27Å; L110-Q120 WeakPolarHBondContact O-CA 3.39Å; L110-V121 HydrophobicContact CB-CB 4.23Å; L110-V121 PolarHBondContact N-O 2.96Å; L110-V121 PolarHBondContact O-N 3.41Å; L110-F123 HydrophobicContact CD1-CE1 3.88Å; L110-F123 HydrophobicContact CG-CE1 4.18Å; L110-F170 HydrophobicContact CD1-CZ 4.14Å
111S94.4Very high92Very high29 Ų2949.6 Ų49.620%0.20326%0.26CS..EExtended strand (participates in β ladder)trans-127.5145164.564.40000109.4N90 S91 F119N90-S111 PolarHBondContact N-O 3.27Å; S91-S111 WeakPolarHBondContact CB-OG 3.3Å; S91-S111 PolarHBondContact N-O 3.09Å; S91-S111 PolarHBondContact N-OG 3.44Å; S91-S111 PolarHBondContact O-N 3.04Å; S111-F119 WeakPolarHBondContact CA-O 3.29Å
112G93.6Very high92.7Very high0 Ų049.1 Ų49.10%024%0.235CC..EExtended strand (participates in β ladder)trans-169.4-173.3-176.400000112.1C88 F119C88-G112 CarbonylContact O-C 3.5Å; C88-G112 WeakPolarHBondContact O-CA 3.15Å; G112-F119 PolarHBondContact N-O 3.18Å; G112-F119 PolarHBondContact O-N 2.81Å
113R94Very high93.4Very high130 Ų13044.1 Ų44.149%0.49121%0.212SC..EExtended strand (participates in β ladder)trans-144.5154.3175.169.6179.5-162.9-164.96.8111.5C88 L117 V118C88-R113 HydrophobicContact CB-CG 4.14Å; C88-R113 PolarHBondContact N-O 2.95Å; C88-R113 PolarHBondContact O-N 3.5Å; R113-L117 CarbonylContact C-O 3.55Å; R113-L117 WeakPolarHBondContact CA-O 3.45Å; R113-L117 WeakPolarHBondContact CB-O 3.45Å; R113-V118 HydrophobicContact CB-CG2 4.21Å
114S93Very high93.8Very high1 Ų143.6 Ų43.61%0.00721%0.209CC..EExtended strand (participates in β ladder)trans-127.9112.7165.6-162.20000107.6G86 E116 L117 S177G86-S114 WeakPolarHBondContact O-CA 3.47Å; G86-S114 WeakPolarHBondContact O-CB 3.37Å; G86-S114 PolarHBondContact O-OG 2.95Å; S114-E116 PolarHBondContact O-N 3Å; S114-L117 PolarHBondContact N-O 2.9Å; S114-L117 WeakPolarHBondContact O-CB 3.4Å; S114-L117 PolarHBondContact O-N 3.49Å; S114-S177 WeakPolarHBondContact CB-OG 3.45Å; S114-S177 VanDerWaalsContact O-CB 3.25Å; S114-S177 WeakPolarHBondContact O-CB 3.34Å; S114-S177 PolarHBondContact OG-OG 3.23Å
115Y90.6Very high94Very high93 Ų9344.1 Ų44.137%0.36521%0.211SC..THydrogen-bonded Turntrans50.2-126.6-163.7-60.8-100.6000110.4E178 D181Y115-E178 HydrophobicContact CE2-CB 4.12Å; Y115-D181 HydrophobicContact CD1-CB 3.53Å; Y115-D181 WeakPolarHBondContact CD1-OD1 3.44Å; Y115-D181 HydrophobicContact CE1-CB 3.79Å; Y115-D181 VanDerWaalsContact CE1-CG 3.45Å; Y115-D181 WeakPolarHBondContact CE1-OD2 3.32Å; Y115-D181 HydrophobicContact CG-CB 4.06Å
116E88.3Confident94.1Very high180 Ų18044.3 Ų44.384%0.84121%0.212SC*.THydrogen-bonded Turntrans-81.2-11.5177.4-61.1-57.713600113.5S114 V118S114-E116 PolarHBondContact O-N 3Å; E116-V118 PolarHBondContact O-N 3.27Å
117L91.1Very high94.1Very high14 Ų1444.4 Ų44.47%0.07321%0.213CC..EExtended strand (participates in β ladder)trans-79.3112.5-179.5-178.269.3000110.5R113 S114 I173 Y176R113-L117 CarbonylContact C-O 3.55Å; R113-L117 WeakPolarHBondContact CA-O 3.45Å; R113-L117 WeakPolarHBondContact CB-O 3.45Å; S114-L117 PolarHBondContact N-O 2.9Å; S114-L117 WeakPolarHBondContact O-CB 3.4Å; S114-L117 PolarHBondContact O-N 3.49Å; L117-I173 HydrophobicContact CD2-CB 4.11Å; L117-I173 HydrophobicContact CD2-CG2 4.47Å; L117-Y176 HydrophobicContact CD2-CD1 4.06Å; L117-Y176 HydrophobicContact CD2-CE1 4.47Å
118V93.9Very high93.9Very high57 Ų5745.6 Ų45.635%0.34522%0.22SC..EExtended strand (participates in β ladder)trans-92.1139.3175.4-179.50000110.1R113 E116 D146R113-V118 HydrophobicContact CB-CG2 4.21Å; E116-V118 PolarHBondContact O-N 3.27Å; V118-D146 HydrophobicContact CB-CB 4.15Å; V118-D146 PolarHBondContact O-N 3.2Å
119F94.8Very high93.4Very high1 Ų150.2 Ų50.20%0.00424%0.239CC..EExtended strand (participates in β ladder)trans-137.1155.9-179.765.8-101000112.7I87 L89 S111 G112 V121 V144 L145 F169 F170 I173I87-F119 HydrophobicContact CG2-CE1 3.92Å; I87-F119 HydrophobicContact CG2-CZ 3.65Å; L89-F119 HydrophobicContact CD2-CE2 4.12Å; L89-F119 HydrophobicContact CD2-CZ 3.99Å; S111-F119 WeakPolarHBondContact CA-O 3.29Å; G112-F119 PolarHBondContact N-O 3.18Å; G112-F119 PolarHBondContact O-N 2.81Å; F119-V121 HydrophobicContact CD2-CG2 3.89Å; F119-V121 HydrophobicContact CE2-CG2 4.27Å; F119-V144 CarbonylContact C-O 3.55Å; F119-V144 WeakPolarHBondContact CA-O 3.22Å; F119-L145 HydrophobicContact CB-CD2 3.34Å; F119-F169 HydrophobicContact CB-CZ 4.19Å; F119-F169 HydrophobicContact CD2-CE1 4.26Å; F119-F169 HydrophobicContact CG-CE1 4.47Å; F119-F169 HydrophobicContact CG-CZ 4.37Å; F119-F170 AromaticContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CZ-CD1 4.42Å; F119-F170 AromaticContact CZ-CE1 3.82Å; F119-F170 HydrophobicContact CZ-CE1 3.82Å; F119-I173 HydrophobicContact CD1-CD1 3.68Å; F119-I173 HydrophobicContact CE1-CD1 3.78Å; F119-I173 HydrophobicContact CG-CD1 4.19Å; F119-I173 HydrophobicContact CZ-CD1 4.39Å
120Q95.8Very high92.7Very high103 Ų10353.8 Ų53.848%0.48126%0.256SS..EExtended strand (participates in β ladder)trans-130139.3165.1-58-179.8-5.500109.4L110 V144L110-Q120 CarbonylContact O-C 3.49Å; L110-Q120 VanDerWaalsContact O-CA 3.27Å; L110-Q120 WeakPolarHBondContact O-CA 3.39Å; Q120-V144 HydrophobicContact CB-CB 4.26Å; Q120-V144 PolarHBondContact N-O 3.37Å; Q120-V144 PolarHBondContact O-N 3.3Å
121V96.9Very high92Very high0 Ų056.3 Ų56.30%029%0.287CS..EExtended strand (participates in β ladder)trans-128.8121.3-179.9-176.50000107.4C109 L110 F119 F123 L141 L143 L166 F169 F170C109-V121 CarbonylContact C-O 3.59Å; C109-V121 WeakPolarHBondContact CA-O 3.49Å; L110-V121 HydrophobicContact CB-CB 4.23Å; L110-V121 PolarHBondContact N-O 2.96Å; L110-V121 PolarHBondContact O-N 3.41Å; F119-V121 HydrophobicContact CD2-CG2 3.89Å; F119-V121 HydrophobicContact CE2-CG2 4.27Å; V121-F123 HydrophobicContact CG1-CD1 3.96Å; V121-L141 HydrophobicContact CG1-CD1 3.67Å; V121-L143 HydrophobicContact CB-CD2 4.17Å; V121-L143 HydrophobicContact CG1-CD2 3.77Å; V121-L143 HydrophobicContact CG2-CD2 3.85Å; V121-L166 HydrophobicContact CG1-CD2 3.51Å; V121-F169 HydrophobicContact CG2-CD1 3.98Å; V121-F169 HydrophobicContact CG2-CE1 3.31Å; V121-F169 HydrophobicContact CG2-CZ 3.96Å; V121-F170 HydrophobicContact CG2-CE1 4.42Å; V121-F170 HydrophobicContact CG2-CZ 4.16Å
122E97.2Very high91.2Very high74 Ų7461.3 Ų61.335%0.34632%0.322SS..EExtended strand (participates in β ladder)trans-118.6126.9174.7-178.4172.6-16900109.3Q107 V108 L141 N142Q107-E122 HydrophobicContact CG-CG 4.39Å; Q107-E122 PolarHBondContact NE2-OE1 3.22Å; V108-E122 CarbonylContact O-C 3.41Å; V108-E122 VanDerWaalsContact O-CA 3.32Å; V108-E122 WeakPolarHBondContact O-CA 3.48Å; E122-L141 CarbonylContact O-C 3.55Å; E122-L141 WeakPolarHBondContact O-CA 2.95Å; E122-N142 HydrophobicContact CB-CB 4.38Å; E122-N142 PolarHBondContact N-O 3.21Å; E122-N142 PolarHBondContact O-N 2.93Å
123F97Very high90.5Very high20 Ų2070.7 Ų70.79%0.08836%0.357CS..EExtended strand (participates in β ladder)trans-147.2153.7179.965.5-85000112.9V108 L110 V121 L125 I138 D140 L141 L166V108-F123 HydrophobicContact CB-CD1 4.08Å; V108-F123 HydrophobicContact CB-CD2 4.26Å; V108-F123 HydrophobicContact CB-CE1 3.67Å; V108-F123 HydrophobicContact CB-CE2 3.86Å; V108-F123 HydrophobicContact CB-CG 4.36Å; V108-F123 HydrophobicContact CB-CZ 3.55Å; V108-F123 HydrophobicContact CG1-CD1 4.38Å; V108-F123 HydrophobicContact CG1-CE1 3.58Å; V108-F123 HydrophobicContact CG1-CE2 4.34Å; V108-F123 HydrophobicContact CG1-CZ 3.56Å; V108-F123 HydrophobicContact CG2-CE2 3.92Å; V108-F123 HydrophobicContact CG2-CZ 3.96Å; V108-F123 PolarHBondContact N-O 3.48Å; V108-F123 PolarHBondContact O-N 3Å; L110-F123 HydrophobicContact CD1-CE1 3.88Å; L110-F123 HydrophobicContact CG-CE1 4.18Å; V121-F123 HydrophobicContact CG1-CD1 3.96Å; F123-L125 HydrophobicContact CD2-CB 4.39Å; F123-L125 HydrophobicContact CE2-CB 4.18Å; F123-I138 HydrophobicContact CB-CG2 4.06Å; F123-I138 HydrophobicContact CD2-CG1 4.26Å; F123-I138 HydrophobicContact CD2-CG2 4.3Å; F123-D140 CarbonylContact C-O 3.54Å; F123-D140 WeakPolarHBondContact CA-O 3.38Å; F123-D140 WeakPolarHBondContact CB-O 3.42Å; F123-L141 HydrophobicContact CB-CB 4.49Å; F123-L141 HydrophobicContact CB-CD1 3.82Å; F123-L166 HydrophobicContact CD1-CD1 4.01Å; F123-L166 HydrophobicContact CD2-CD1 4.29Å; F123-L166 HydrophobicContact CE1-CD1 3.9Å; F123-L166 HydrophobicContact CE2-CD1 4.18Å; F123-L166 HydrophobicContact CG-CD1 4.2Å; F123-L166 HydrophobicContact CZ-CD1 3.98Å
124Q96.4Very high90Very high51 Ų5167 Ų6724%0.23835%0.35CS..EExtended strand (participates in β ladder)trans-98.5119.4173.7-69.5-176.5800110.6L97 H106 I138 R139 D140L97-Q124 HydrophobicContact CD1-CG 4.23Å; H106-Q124 CarbonylContact O-C 3.57Å; H106-Q124 VanDerWaalsContact O-CA 3.3Å; H106-Q124 WeakPolarHBondContact O-CA 3.17Å; Q124-I138 CarbonylContact O-C 3.54Å; Q124-I138 WeakPolarHBondContact O-CA 3.41Å; Q124-R139 HydrophobicContact CB-CB 4.15Å; Q124-R139 PolarHBondContact O-N 3.05Å; Q124-D140 HydrophobicContact CB-CB 4.09Å; Q124-D140 HydrophobicContact CG-CB 4.1Å; Q124-D140 PolarHBondContact N-O 2.99Å
125L95.1Very high89.8Confident32 Ų3272.8 Ų72.817%0.16838%0.376CS..EExtended strand (participates in β ladder)trans-102.1116.4176.1-177.366.1000109.8V105 H106 V108 F123 E127 R136V105-L125 CarbonylContact C-O 3.59Å; V105-L125 WeakPolarHBondContact CA-O 3.04Å; H106-L125 PolarHBondContact N-O 2.99Å; H106-L125 PolarHBondContact O-N 3.3Å; V108-L125 HydrophobicContact CG2-CB 4.44Å; F123-L125 HydrophobicContact CD2-CB 4.39Å; F123-L125 HydrophobicContact CE2-CB 4.18Å; L125-E127 HydrophobicContact CD2-CG 4.43Å; L125-E127 HydrophobicContact CG-CG 4.35Å; L125-R136 HydrophobicContact CD1-CB 4.13Å
126S93.6Very high89.9Confident8 Ų875 Ų756%0.05638%0.384CS..EExtended strand (participates in β ladder)trans-96.5127.5168.257.60000111.2V104 R136 R137 R139V104-S126 CarbonylContact O-C 3.58Å; V104-S126 WeakPolarHBondContact O-CA 3.45Å; S126-R136 WeakPolarHBondContact O-CA 3.36Å; S126-R137 PolarHBondContact N-O 3.2Å; S126-R137 PolarHBondContact O-N 2.96Å; S126-R137 PolarHBondContact OG-O 3.44Å; S126-R139 PolarHBondContact OG-NE 3.32Å
127E92.6Very high90.1Very high28 Ų2874.2 Ų74.213%0.13137%0.373CS..EExtended strand (participates in β ladder)trans-109.7116.5173.2-52.5-155.1150.900109.7E103 V104 L125 T134 E135 R136E103-E127 WeakPolarHBondContact CA-O 3.45Å; V104-E127 PolarHBondContact N-O 3.14Å; V104-E127 PolarHBondContact O-N 3.46Å; L125-E127 HydrophobicContact CD2-CG 4.43Å; L125-E127 HydrophobicContact CG-CG 4.35Å; E127-T134 HydrophobicContact CB-CG2 4.01Å; E127-E135 CarbonylContact C-O 3.59Å; E127-E135 VanDerWaalsContact CA-O 3.3Å; E127-E135 WeakPolarHBondContact CA-O 3.46Å; E127-R136 HydrophobicContact CG-CG 4.11Å; E127-R136 IonicContact OE1-CZ 3.88Å; E127-R136 IonicContact OE1-NE 3.5Å; E127-R136 PolarHBondContact OE1-NE 2.96Å; E127-R136 IonicContact OE1-NH2 2.8Å; E127-R136 PolarHBondContact OE1-NH2 3.11Å
128L89.8Confident90.3Very high64 Ų6475.4 Ų75.434%0.33538%0.379SS..EExtended strand (participates in β ladder)trans-104.1123.4174.4-167.388.7000108.9E103 T134 E135E103-L128 HydrophobicContact CB-CD1 3.98Å; E103-L128 HydrophobicContact CG-CD1 4.28Å; L128-T134 CarbonylContact O-C 3.55Å; L128-T134 WeakPolarHBondContact O-CA 3.32Å; L128-E135 HydrophobicContact CB-CB 4.4Å; L128-E135 PolarHBondContact N-O 3.47Å; L128-E135 PolarHBondContact O-N 3.33Å
129K85.2Confident90.3Very high106 Ų10676.8 Ų76.846%0.46138%0.378SS..EExtended strand (participates in β ladder)trans-93104.8175.3-66.9-178.4-179175.30110.1Q102Q102-K129 HydrophobicContact CB-CB 4.49Å; Q102-K129 WeakPolarHBondContact CB-O 3.27Å; Q102-K129 VanDerWaalsContact CD-O 3.23Å; Q102-K129 WeakPolarHBondContact CG-O 3.44Å; Q102-K129 PolarHBondContact O-N 3.48Å; Q102-K129 PolarHBondContact OE1-O 3.29Å
130D78.5Confident90.3Very high118 Ų11880.5 Ų80.563%0.63140%0.398SS*.EExtended strand (participates in β ladder)trans-108.296.9172.3-175.320.1000109.9S132 R133D130-S132 PolarHBondContact O-N 2.99Å; D130-S132 VanDerWaalsContact O-N 3.09Å; D130-R133 PolarHBondContact N-O 2.86Å; D130-R133 PolarHBondContact O-N 2.9Å
131G79.9Confident90.4Very high74 Ų7476 Ų7676%0.76338%0.377SS*.THydrogen-bonded Turntrans59.7-111.9-17600000112.5
132S77.1Confident90.4Very high134 Ų13479.3 Ų79.394%0.93740%0.395SS*.THydrogen-bonded Turntrans-92.9-7.9177.862.80000114.3D130D130-S132 PolarHBondContact O-N 2.99Å; D130-S132 VanDerWaalsContact O-N 3.09Å
133R79.9Confident90.3Very high196 Ų19676.3 Ų76.374%0.7438%0.382SS*.EExtended strand (participates in β ladder)trans-105.4128-176.3-168175.2179.3-173.2-2110.1D130D130-R133 PolarHBondContact N-O 2.86Å; D130-R133 PolarHBondContact O-N 2.9Å
134T84.2Confident90.1Very high54 Ų5478.8 Ų78.833%0.33140%0.398SS..EExtended strand (participates in β ladder)trans-95.4116.9168.4-49.80000108.5E127 L128 R136E127-T134 HydrophobicContact CB-CG2 4.01Å; L128-T134 CarbonylContact O-C 3.55Å; L128-T134 WeakPolarHBondContact O-CA 3.32Å; T134-R136 HydrophobicContact CG2-CG 4.34Å
135E88.8Confident89.8Confident121 Ų12177 Ų7757%0.56539%0.39SS*.EExtended strand (participates in β ladder)trans-88.1133.4168.4-172.9176.6177.100109.2E127 L128E127-E135 CarbonylContact C-O 3.59Å; E127-E135 VanDerWaalsContact CA-O 3.3Å; E127-E135 WeakPolarHBondContact CA-O 3.46Å; L128-E135 HydrophobicContact CB-CB 4.4Å; L128-E135 PolarHBondContact N-O 3.47Å; L128-E135 PolarHBondContact O-N 3.33Å
136R91.9Very high89.4Confident139 Ų13981.4 Ų81.453%0.52541%0.414SS..EExtended strand (participates in β ladder)trans-120.5130.4179.7-68.9-173.9176.2135.32109.8L125 S126 E127 T134L125-R136 HydrophobicContact CD1-CB 4.13Å; S126-R136 WeakPolarHBondContact O-CA 3.36Å; E127-R136 HydrophobicContact CG-CG 4.11Å; E127-R136 IonicContact OE1-CZ 3.88Å; E127-R136 IonicContact OE1-NE 3.5Å; E127-R136 PolarHBondContact OE1-NE 2.96Å; E127-R136 IonicContact OE1-NH2 2.8Å; E127-R136 PolarHBondContact OE1-NH2 3.11Å; T134-R136 HydrophobicContact CG2-CG 4.34Å
137R93.2Very high88.6Confident165 Ų16582 Ų8262%0.62342%0.418SS*.EExtended strand (participates in β ladder)trans-139.7138.2179.4-171.4177.4-173.6-178.64111.4S126S126-R137 PolarHBondContact N-O 3.2Å; S126-R137 PolarHBondContact O-N 2.96Å; S126-R137 PolarHBondContact OG-O 3.44Å
138I95.5Very high87.4Confident38 Ų3886.1 Ų86.120%0.19545%0.45CS..EExtended strand (participates in β ladder)trans-83.2125.9171-56.6171.8000108.2F123 Q124 D140 R164 L166F123-I138 HydrophobicContact CB-CG2 4.06Å; F123-I138 HydrophobicContact CD2-CG1 4.26Å; F123-I138 HydrophobicContact CD2-CG2 4.3Å; Q124-I138 CarbonylContact O-C 3.54Å; Q124-I138 WeakPolarHBondContact O-CA 3.41Å; I138-D140 WeakPolarHBondContact CG2-O 3.21Å; I138-R164 HydrophobicContact CB-CB 4.22Å; I138-R164 HydrophobicContact CG2-CB 3.99Å; I138-R164 HydrophobicContact CG2-CG 4.39Å; I138-R164 WeakPolarHBondContact O-CD 3.2Å; I138-L166 HydrophobicContact CD1-CD1 3.48Å; I138-L166 VanDerWaalsContact CD1-CD1 3.48Å; I138-L166 HydrophobicContact CD1-CG 3.8Å
139R92.9Very high86.3Confident86 Ų8685.6 Ų85.633%0.32545%0.447SS..EExtended strand (participates in β ladder)trans-98.8-34.1-178.8-67.1-173.7172.2-175.7-1.4113.2E103 Q124 S126 R164E103-R139 IonicContact OE1-CZ 2.8Å; E103-R139 IonicContact OE1-NH2 2.87Å; E103-R139 PolarHBondContact OE1-NH2 3.07Å; E103-R139 IonicContact OE2-CZ 3.78Å; E103-R139 IonicContact OE2-NH2 2.58Å; E103-R139 PolarHBondContact OE2-NH2 3.5Å; Q124-R139 HydrophobicContact CB-CB 4.15Å; Q124-R139 PolarHBondContact O-N 3.05Å; S126-R139 PolarHBondContact OG-NE 3.32Å; R139-R164 VanDerWaalsContact C-NE 3.26Å; R139-R164 VanDerWaalsContact O-CZ 3.29Å; R139-R164 PolarHBondContact O-NE 3.29Å; R139-R164 PolarHBondContact O-NH2 2.95Å
140D95.3Very high85.5Confident80 Ų8084.1 Ų84.143%0.42844%0.444SS..EExtended strand (participates in β ladder)trans-145.4147-176.3-167.936.8000108.8F123 Q124 I138F123-D140 CarbonylContact C-O 3.54Å; F123-D140 WeakPolarHBondContact CA-O 3.38Å; F123-D140 WeakPolarHBondContact CB-O 3.42Å; Q124-D140 HydrophobicContact CB-CB 4.09Å; Q124-D140 HydrophobicContact CG-CB 4.1Å; Q124-D140 PolarHBondContact N-O 2.99Å; I138-D140 WeakPolarHBondContact CG2-O 3.21Å
141L97.4Very high85.4Confident7 Ų786.4 Ų86.44%0.03745%0.451CS..EExtended strand (participates in β ladder)trans-148.5125.6-17917661.9000109.2V121 E122 F123 L143 V160 R164 L166V121-L141 HydrophobicContact CG1-CD1 3.67Å; E122-L141 CarbonylContact O-C 3.55Å; E122-L141 WeakPolarHBondContact O-CA 2.95Å; F123-L141 HydrophobicContact CB-CB 4.49Å; F123-L141 HydrophobicContact CB-CD1 3.82Å; L141-L143 HydrophobicContact CD1-CD2 3.91Å; L141-L143 HydrophobicContact CD1-CG 4.4Å; L141-L143 HydrophobicContact CG-CD2 4.3Å; L141-L143 HydrophobicContact CG-CG 4.29Å; L141-V160 HydrophobicContact CD2-CG1 3.93Å; L141-R164 HydrophobicContact CB-CG 4.42Å; L141-L166 HydrophobicContact CD1-CD2 3.46Å; L141-L166 VanDerWaalsContact CD1-CD2 3.46Å; L141-L166 HydrophobicContact CD1-CG 4.37Å; L141-L166 HydrophobicContact CD2-CD2 3.96Å; L141-L166 HydrophobicContact CD2-CG 4.44Å; L141-L166 HydrophobicContact CG-CD2 4.4Å
142N96.2Very high85.4Confident70 Ų7084.3 Ų84.337%0.37443%0.425SS..EExtended strand (participates in β ladder)trans-126.9134.7175.8175.869.5000109.3E122E122-N142 HydrophobicContact CB-CB 4.38Å; E122-N142 PolarHBondContact N-O 3.21Å; E122-N142 PolarHBondContact O-N 2.93Å
143L95.4Very high86Confident12 Ų1278 Ų786%0.06338%0.38CS..EExtended strand (participates in β ladder)trans-124.1132.3-174.8-61.1176000110.6V121 L141 L157 V160 E161 F169V121-L143 HydrophobicContact CB-CD2 4.17Å; V121-L143 HydrophobicContact CG1-CD2 3.77Å; V121-L143 HydrophobicContact CG2-CD2 3.85Å; L141-L143 HydrophobicContact CD1-CD2 3.91Å; L141-L143 HydrophobicContact CD1-CG 4.4Å; L141-L143 HydrophobicContact CG-CD2 4.3Å; L141-L143 HydrophobicContact CG-CG 4.29Å; L143-L157 HydrophobicContact CB-CD2 4.27Å; L143-L157 HydrophobicContact CD1-CD2 3.88Å; L143-V160 HydrophobicContact CD1-CB 4Å; L143-V160 HydrophobicContact CD1-CG1 3.54Å; L143-E161 HydrophobicContact CB-CG 4.31Å; L143-E161 HydrophobicContact CD1-CG 3.97Å; L143-E161 HydrophobicContact CG-CG 3.94Å; L143-E161 PolarHBondContact N-OE1 3.29Å; L143-F169 HydrophobicContact CD1-CD2 3.61Å; L143-F169 HydrophobicContact CD1-CE2 3.9Å; L143-F169 HydrophobicContact CD1-CG 4.24Å; L143-F169 HydrophobicContact CD2-CD1 4.21Å; L143-F169 HydrophobicContact CD2-CD2 4.02Å; L143-F169 HydrophobicContact CD2-CE1 4.14Å; L143-F169 HydrophobicContact CD2-CE2 3.93Å; L143-F169 HydrophobicContact CD2-CG 4.15Å; L143-F169 HydrophobicContact CD2-CZ 3.99Å; L143-F169 HydrophobicContact CG-CD2 4.42Å; L143-F169 HydrophobicContact CG-CE2 4.37Å
144V92.3Very high86.6Confident72 Ų7271.1 Ų71.144%0.43636%0.362SS..EExtended strand (participates in β ladder)trans-127.1129.1173.9-176.50000108.6F119 Q120F119-V144 CarbonylContact C-O 3.55Å; F119-V144 WeakPolarHBondContact CA-O 3.22Å; Q120-V144 HydrophobicContact CB-CB 4.26Å; Q120-V144 PolarHBondContact N-O 3.37Å; Q120-V144 PolarHBondContact O-N 3.3Å
145L91.9Very high87Confident12 Ų1271.1 Ų71.16%0.06336%0.364CS..EExtended strand (participates in β ladder)trans-120.4138.3175.3-63.5-173.8000109.7F119 S147 L150 L153 L157 F169F119-L145 HydrophobicContact CB-CD2 3.34Å; L145-S147 PolarHBondContact O-N 3.32Å; L145-L150 HydrophobicContact CB-CD2 3.97Å; L145-L153 HydrophobicContact CD1-CD1 3.75Å; L145-L157 HydrophobicContact CD1-CD1 3.96Å; L145-L157 HydrophobicContact CD1-CD2 3.92Å; L145-L157 HydrophobicContact CD1-CG 4.42Å; L145-L157 HydrophobicContact CG-CD1 4.26Å; L145-L157 HydrophobicContact CG-CD2 4.34Å; L145-F169 HydrophobicContact CD2-CE2 4.13Å; L145-F169 HydrophobicContact CD2-CZ 3.96Å
146D85.8Confident87.4Confident126 Ų12665.3 Ų65.367%0.67434%0.338SS*.EExtended strand (participates in β ladder)trans-94.889.2167.9-168.99.6000108.4V118V118-D146 HydrophobicContact CB-CB 4.15Å; V118-D146 PolarHBondContact O-N 3.2Å
147S76.9Confident87.5Confident21 Ų2159.6 Ų59.615%0.14732%0.317CS..  trans-137.7138.4179.1-174.80000110L145 D149 L150L145-S147 PolarHBondContact O-N 3.32Å; S147-D149 PolarHBondContact O-N 2.86Å; S147-D149 PolarHBondContact OG-N 2.87Å; S147-L150 WeakPolarHBondContact O-CG 3.41Å
148S67.8Low87.6Confident114 Ų11454.4 Ų54.480%0.79731%0.306SS*.THydrogen-bonded Turntrans-64.5-25.9170.746.40000112.5
149D66.1Low87.7Confident52 Ų5257.6 Ų57.628%0.27832%0.316SS..THydrogen-bonded Turntrans-111.141.3-170.4-59.3-43.1000112.6S147 Q151 S152S147-D149 PolarHBondContact O-N 2.86Å; S147-D149 PolarHBondContact OG-N 2.87Å; D149-Q151 PolarHBondContact O-N 3.27Å; D149-S152 PolarHBondContact O-N 3.39Å; D149-S152 VanDerWaalsContact O-N 3.14Å; D149-S152 PolarHBondContact O-OG 3.4Å
150L68.4Low87.9Confident75 Ų7553.5 Ų53.539%0.39330%0.3SS..Hα-helixtrans-54.9-21.8-179.9-75.4167.8000114.3L145 S147 S152 L153 S154L145-L150 HydrophobicContact CB-CD2 3.97Å; S147-L150 WeakPolarHBondContact O-CG 3.41Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.45Å; L150-L153 PolarHBondContact O-N 2.59Å; L150-S154 WeakPolarHBondContact O-CB 3.27Å; L150-S154 PolarHBondContact O-N 2.92Å
151Q76.3Confident88Confident166 Ų16652.4 Ų52.478%0.77629%0.292SS*.Hα-helixtrans-61-39.5178.5-67.2-58.9-38.100112.3D149 L153 S154D149-Q151 PolarHBondContact O-N 3.27Å; Q151-L153 PolarHBondContact O-N 2.96Å; Q151-S154 PolarHBondContact O-OG 3.17Å
152S79.3Confident87.9Confident31 Ų3158.9 Ų58.922%0.21732%0.323CS..Hα-helixtrans-69.1-24.4-179.568.40000112.7D149 L150D149-S152 PolarHBondContact O-N 3.39Å; D149-S152 VanDerWaalsContact O-N 3.14Å; D149-S152 PolarHBondContact O-OG 3.4Å; L150-S152 VanDerWaalsContact C-N 3.31Å; L150-S152 PolarHBondContact O-N 3.45Å
153L90.6Very high87.9Confident1 Ų159.1 Ų59.11%0.00533%0.327CS..Hα-helixtrans-101.4-19.9-175.6-70.5164.1000113.5L145 L150 Q151 S155 F156 L157 Y176 V229L145-L153 HydrophobicContact CD1-CD1 3.75Å; L150-L153 PolarHBondContact O-N 2.59Å; Q151-L153 PolarHBondContact O-N 2.96Å; L153-S155 PolarHBondContact O-N 3.01Å; L153-F156 HydrophobicContact CD2-CD1 4.32Å; L153-F156 WeakPolarHBondContact O-CA 3.48Å; L153-F156 WeakPolarHBondContact O-CB 3.42Å; L153-F156 PolarHBondContact O-N 3.42Å; L153-L157 HydrophobicContact CB-CD1 4.29Å; L153-L157 HydrophobicContact CB-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.22Å; L153-Y176 HydrophobicContact CD1-CD1 4.38Å; L153-Y176 HydrophobicContact CD1-CE1 4.01Å; L153-Y176 HydrophobicContact CD2-CD2 4.44Å; L153-Y176 HydrophobicContact CD2-CG 4.49Å; L153-V229 HydrophobicContact CD2-CB 3.9Å; L153-V229 HydrophobicContact CD2-CG1 4.12Å; L153-V229 HydrophobicContact CD2-CG2 3.58Å; L153-V229 HydrophobicContact CG-CG2 4.49Å
154S91.7Very high88Confident51 Ų5163.4 Ų63.436%0.35734%0.342SS..Hα-helixtrans-49.2-56.4-172.960.10000114.1L150 Q151 F156 L157 S158L150-S154 WeakPolarHBondContact O-CB 3.27Å; L150-S154 PolarHBondContact O-N 2.92Å; Q151-S154 PolarHBondContact O-OG 3.17Å; S154-F156 PolarHBondContact O-N 2.83Å; S154-L157 PolarHBondContact O-N 3.17Å; S154-S158 PolarHBondContact O-N 2.82Å; S154-S158 PolarHBondContact O-OG 2.98Å
155S94.1Very high88.2Confident54 Ų5463.2 Ų63.238%0.37834%0.338SS..Hα-helixtrans-63.6-29.8-179.373.50000113.3L153 R159 T231L153-S155 PolarHBondContact O-N 3.01Å; S155-R159 PolarHBondContact O-N 2.96Å; S155-T231 WeakPolarHBondContact O-CG2 3.2Å; S155-T231 PolarHBondContact OG-OG1 2.79Å
156F95.9Very high88.3Confident0 Ų063.9 Ų63.90%034%0.342CS..Hα-helixtrans-72.3-48.3175.8165.4-102.8000110.9L153 S154 S158 R159 V160 L168 F169 T172 V229 G233L153-F156 HydrophobicContact CD2-CD1 4.32Å; L153-F156 WeakPolarHBondContact O-CA 3.48Å; L153-F156 WeakPolarHBondContact O-CB 3.42Å; L153-F156 PolarHBondContact O-N 3.42Å; S154-F156 PolarHBondContact O-N 2.83Å; F156-S158 PolarHBondContact O-N 3.11Å; F156-R159 PolarHBondContact O-N 3.48Å; F156-V160 HydrophobicContact CD1-CG2 4.48Å; F156-V160 HydrophobicContact CD2-CG2 4.07Å; F156-V160 HydrophobicContact CE1-CG2 3.99Å; F156-V160 HydrophobicContact CE2-CG2 3.53Å; F156-V160 HydrophobicContact CZ-CG2 3.47Å; F156-V160 VanDerWaalsContact CZ-CG2 3.47Å; F156-V160 WeakPolarHBondContact O-CG2 3.32Å; F156-V160 PolarHBondContact O-N 2.86Å; F156-L168 HydrophobicContact CE2-CD1 4.33Å; F156-L168 HydrophobicContact CE2-CD2 4.09Å; F156-L168 HydrophobicContact CE2-CG 3.82Å; F156-L168 HydrophobicContact CZ-CG 4.24Å; F156-F169 HydrophobicContact CE1-CD2 4.48Å; F156-T172 HydrophobicContact CD1-CG2 4.14Å; F156-T172 HydrophobicContact CD2-CG2 4.33Å; F156-T172 HydrophobicContact CE1-CG2 3.64Å; F156-T172 HydrophobicContact CE2-CG2 3.84Å; F156-T172 HydrophobicContact CG-CG2 4.46Å; F156-T172 HydrophobicContact CZ-CG2 3.48Å; F156-T172 VanDerWaalsContact CZ-CG2 3.48Å; F156-T172 WeakPolarHBondContact CZ-OG1 3.26Å; F156-V229 HydrophobicContact CB-CG1 3.94Å; F156-V229 HydrophobicContact CD1-CG1 4.19Å; F156-V229 HydrophobicContact CD2-CG1 4.19Å; F156-V229 HydrophobicContact CG-CG1 3.83Å; F156-G233 VanDerWaalsContact CE2-CA 3.44Å
157L95.3Very high88.7Confident18 Ų1862.6 Ų62.69%0.09434%0.335CS..Hα-helixtrans-58.5-47.8179.1-66.7176.4000111.2L143 L145 L153 S154 R159 V160 E161 F169L143-L157 HydrophobicContact CB-CD2 4.27Å; L143-L157 HydrophobicContact CD1-CD2 3.88Å; L145-L157 HydrophobicContact CD1-CD1 3.96Å; L145-L157 HydrophobicContact CD1-CD2 3.92Å; L145-L157 HydrophobicContact CD1-CG 4.42Å; L145-L157 HydrophobicContact CG-CD1 4.26Å; L145-L157 HydrophobicContact CG-CD2 4.34Å; L153-L157 HydrophobicContact CB-CD1 4.29Å; L153-L157 HydrophobicContact CB-CG 4.35Å; L153-L157 WeakPolarHBondContact O-CG 3.33Å; L153-L157 PolarHBondContact O-N 3.22Å; S154-L157 PolarHBondContact O-N 3.17Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.37Å; L157-V160 PolarHBondContact O-N 3.36Å; L157-E161 WeakPolarHBondContact O-CG 3.3Å; L157-E161 PolarHBondContact O-N 2.84Å; L157-F169 HydrophobicContact CD2-CD2 4.28Å; L157-F169 HydrophobicContact CD2-CE2 3.98Å
158S95.2Very high89.7Confident56 Ų5663.2 Ų63.239%0.39234%0.336SS..Hα-helixtrans-57.4-43.4178.2-56.50000112.1S154 F156 V160 E161 E162S154-S158 PolarHBondContact O-N 2.82Å; S154-S158 PolarHBondContact O-OG 2.98Å; F156-S158 PolarHBondContact O-N 3.11Å; S158-V160 PolarHBondContact O-N 3.5Å; S158-E161 PolarHBondContact O-N 3.23Å; S158-E162 WeakPolarHBondContact O-CB 3.38Å; S158-E162 VanDerWaalsContact O-CG 3.25Å; S158-E162 WeakPolarHBondContact O-CG 3.06Å; S158-E162 PolarHBondContact O-N 2.86Å
159R96.6Very high91Very high106 Ų10657.8 Ų57.840%0.430%0.298SS..Hα-helixtrans-64.6-41.1176.1-175.1-161.4177.6158-2.9111.9S155 F156 L157 E162 T163 T231S155-R159 PolarHBondContact O-N 2.96Å; F156-R159 PolarHBondContact O-N 3.48Å; L157-R159 VanDerWaalsContact C-N 3.31Å; L157-R159 PolarHBondContact O-N 3.37Å; R159-E162 PolarHBondContact O-N 2.92Å; R159-T163 HydrophobicContact CG-CG2 4.12Å; R159-T163 WeakPolarHBondContact O-CB 3.16Å; R159-T163 WeakPolarHBondContact O-CG2 3.35Å; R159-T163 PolarHBondContact O-N 3.23Å; R159-T163 PolarHBondContact O-OG1 3.41Å; R159-T231 HydrophobicContact CB-CG2 3.74Å; R159-T231 WeakPolarHBondContact CD-O 3.29Å; R159-T231 HydrophobicContact CG-CG2 4.15Å; R159-T231 VanDerWaalsContact NH1-C 3.34Å; R159-T231 PolarHBondContact NH1-O 3.04Å
160V97.3Very high92.4Very high0 Ų057.4 Ų57.40%029%0.294CS..Hα-helixtrans-64.3-43.6179.71700000110.5L141 L143 F156 L157 S158 T163 R164 D165 L168 F169L141-V160 HydrophobicContact CD2-CG1 3.93Å; L143-V160 HydrophobicContact CD1-CB 4Å; L143-V160 HydrophobicContact CD1-CG1 3.54Å; F156-V160 HydrophobicContact CD1-CG2 4.48Å; F156-V160 HydrophobicContact CD2-CG2 4.07Å; F156-V160 HydrophobicContact CE1-CG2 3.99Å; F156-V160 HydrophobicContact CE2-CG2 3.53Å; F156-V160 HydrophobicContact CZ-CG2 3.47Å; F156-V160 VanDerWaalsContact CZ-CG2 3.47Å; F156-V160 WeakPolarHBondContact O-CG2 3.32Å; F156-V160 PolarHBondContact O-N 2.86Å; L157-V160 PolarHBondContact O-N 3.36Å; S158-V160 PolarHBondContact O-N 3.5Å; V160-T163 PolarHBondContact O-N 3.28Å; V160-T163 PolarHBondContact O-OG1 2.82Å; V160-R164 VanDerWaalsContact O-CA 3.27Å; V160-R164 WeakPolarHBondContact O-CA 3.3Å; V160-R164 PolarHBondContact O-N 2.83Å; V160-D165 WeakPolarHBondContact CG1-O 3.5Å; V160-D165 PolarHBondContact O-N 3.42Å; V160-L168 HydrophobicContact CG2-CD2 4.17Å; V160-L168 HydrophobicContact CG2-CG 4.33Å; V160-F169 HydrophobicContact CG1-CB 3.85Å
161E96.8Very high93.7Very high56 Ų5661.8 Ų61.826%0.26231%0.305SS..Hα-helixtrans-59.4-45.9174.9-68.9176.1149.200111.2L143 L157 S158 R164L143-E161 HydrophobicContact CB-CG 4.31Å; L143-E161 HydrophobicContact CD1-CG 3.97Å; L143-E161 HydrophobicContact CG-CG 3.94Å; L143-E161 PolarHBondContact N-OE1 3.29Å; L157-E161 WeakPolarHBondContact O-CG 3.3Å; L157-E161 PolarHBondContact O-N 2.84Å; S158-E161 PolarHBondContact O-N 3.23Å; E161-R164 PolarHBondContact O-N 2.9Å
162E96.7Very high94.6Very high144 Ų14454.1 Ų54.167%0.67327%0.27SS*.Hα-helixtrans-62.2-44.9176.9-73.9170.9-169.700113S158 R159S158-E162 WeakPolarHBondContact O-CB 3.38Å; S158-E162 VanDerWaalsContact O-CG 3.25Å; S158-E162 WeakPolarHBondContact O-CG 3.06Å; S158-E162 PolarHBondContact O-N 2.86Å; R159-E162 PolarHBondContact O-N 2.92Å
163T96.6Very high95.3Very high75 Ų7552.6 Ų52.646%0.4626%0.259SS..Hα-helixtrans-83.8-16.6-176.756.20000113.2R159 V160 D165R159-T163 HydrophobicContact CG-CG2 4.12Å; R159-T163 WeakPolarHBondContact O-CB 3.16Å; R159-T163 WeakPolarHBondContact O-CG2 3.35Å; R159-T163 PolarHBondContact O-N 3.23Å; R159-T163 PolarHBondContact O-OG1 3.41Å; V160-T163 PolarHBondContact O-N 3.28Å; V160-T163 PolarHBondContact O-OG1 2.82Å; T163-D165 PolarHBondContact O-N 2.64Å
164R97Very high95.5Very high102 Ų10256.9 Ų56.939%0.38528%0.275SS..THydrogen-bonded Turntrans60.330.6-176-49.9175.2-17792.6-5.6113.3I138 R139 L141 V160 E161 L166I138-R164 HydrophobicContact CB-CB 4.22Å; I138-R164 HydrophobicContact CG2-CB 3.99Å; I138-R164 HydrophobicContact CG2-CG 4.39Å; I138-R164 WeakPolarHBondContact O-CD 3.2Å; R139-R164 VanDerWaalsContact C-NE 3.26Å; R139-R164 VanDerWaalsContact O-CZ 3.29Å; R139-R164 PolarHBondContact O-NE 3.29Å; R139-R164 PolarHBondContact O-NH2 2.95Å; L141-R164 HydrophobicContact CB-CG 4.42Å; V160-R164 VanDerWaalsContact O-CA 3.27Å; V160-R164 WeakPolarHBondContact O-CA 3.3Å; V160-R164 PolarHBondContact O-N 2.83Å; E161-R164 PolarHBondContact O-N 2.9Å; R164-L166 PolarHBondContact O-N 2.68Å
165D96Very high95.6Very high67 Ų6756.3 Ų56.336%0.35827%0.272SS..  trans-89.481.3-175.4-166-18.9000111.8V160 T163 L167 L168 F169V160-D165 WeakPolarHBondContact CG1-O 3.5Å; V160-D165 PolarHBondContact O-N 3.42Å; T163-D165 PolarHBondContact O-N 2.64Å; D165-L167 PolarHBondContact O-N 2.69Å; D165-L167 PolarHBondContact OD1-N 2.73Å; D165-L167 VanDerWaalsContact OD1-N 3.15Å; D165-L168 HydrophobicContact CB-CB 3.89Å; D165-L168 PolarHBondContact O-N 2.85Å; D165-L168 WeakPolarHBondContact OD1-CB 3.36Å; D165-L168 PolarHBondContact OD1-N 3.44Å; D165-L168 WeakPolarHBondContact OD2-CB 3.25Å; D165-F169 PolarHBondContact O-N 2.89Å
166L95.1Very high95.6Very high27 Ų2754.1 Ų54.114%0.14126%0.255CS..Hα-helixtrans-59.3-31.2175.4-74.5-178.5000113V121 F123 I138 L141 R164 F169 F170V121-L166 HydrophobicContact CG1-CD2 3.51Å; F123-L166 HydrophobicContact CD1-CD1 4.01Å; F123-L166 HydrophobicContact CD2-CD1 4.29Å; F123-L166 HydrophobicContact CE1-CD1 3.9Å; F123-L166 HydrophobicContact CE2-CD1 4.18Å; F123-L166 HydrophobicContact CG-CD1 4.2Å; F123-L166 HydrophobicContact CZ-CD1 3.98Å; I138-L166 HydrophobicContact CD1-CD1 3.48Å; I138-L166 VanDerWaalsContact CD1-CD1 3.48Å; I138-L166 HydrophobicContact CD1-CG 3.8Å; L141-L166 HydrophobicContact CD1-CD2 3.46Å; L141-L166 VanDerWaalsContact CD1-CD2 3.46Å; L141-L166 HydrophobicContact CD1-CG 4.37Å; L141-L166 HydrophobicContact CD2-CD2 3.96Å; L141-L166 HydrophobicContact CD2-CG 4.44Å; L141-L166 HydrophobicContact CG-CD2 4.4Å; R164-L166 PolarHBondContact O-N 2.68Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 2.86Å; L166-F170 HydrophobicContact CB-CE2 4.38Å; L166-F170 HydrophobicContact CD2-CE2 4.46Å; L166-F170 WeakPolarHBondContact O-CD2 3.46Å; L166-F170 PolarHBondContact O-N 2.84Å
167L93.9Very high95.5Very high98 Ų9854.3 Ų54.351%0.51326%0.256SS..Hα-helixtrans-69.3-43.9-179.4179.162.5000110.4D165 F169 F170 R171D165-L167 PolarHBondContact O-N 2.69Å; D165-L167 PolarHBondContact OD1-N 2.73Å; D165-L167 VanDerWaalsContact OD1-N 3.15Å; L167-F169 VanDerWaalsContact C-N 3.32Å; L167-F170 PolarHBondContact O-N 3.13Å; L167-R171 HydrophobicContact CD1-CG 4.3Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 WeakPolarHBondContact O-CG 3.29Å; L167-R171 PolarHBondContact O-N 2.84Å
168L96.2Very high95.4Very high34 Ų3456.6 Ų56.618%0.17827%0.267CS..Hα-helixtrans-60-44.8174.1-179.660.2000110.8F156 V160 D165 R171 T172F156-L168 HydrophobicContact CE2-CD1 4.33Å; F156-L168 HydrophobicContact CE2-CD2 4.09Å; F156-L168 HydrophobicContact CE2-CG 3.82Å; F156-L168 HydrophobicContact CZ-CG 4.24Å; V160-L168 HydrophobicContact CG2-CD2 4.17Å; V160-L168 HydrophobicContact CG2-CG 4.33Å; D165-L168 HydrophobicContact CB-CB 3.89Å; D165-L168 PolarHBondContact O-N 2.85Å; D165-L168 WeakPolarHBondContact OD1-CB 3.36Å; D165-L168 PolarHBondContact OD1-N 3.44Å; D165-L168 WeakPolarHBondContact OD2-CB 3.25Å; L168-R171 PolarHBondContact O-N 3.21Å; L168-T172 WeakPolarHBondContact O-CB 3.34Å; L168-T172 PolarHBondContact O-N 3.3Å; L168-T172 PolarHBondContact O-OG1 3.29Å; L168-T172 VanDerWaalsContact O-OG1 3.11Å
169F96.5Very high95.3Very high0 Ų056.7 Ų56.70%026%0.26CS..Hα-helixtrans-50.8-61.9174.3179-113.2000112.1F119 V121 L143 L145 F156 L157 V160 D165 L166 L167 R171 T172 I173F119-F169 HydrophobicContact CB-CZ 4.19Å; F119-F169 HydrophobicContact CD2-CE1 4.26Å; F119-F169 HydrophobicContact CG-CE1 4.47Å; F119-F169 HydrophobicContact CG-CZ 4.37Å; V121-F169 HydrophobicContact CG2-CD1 3.98Å; V121-F169 HydrophobicContact CG2-CE1 3.31Å; V121-F169 HydrophobicContact CG2-CZ 3.96Å; L143-F169 HydrophobicContact CD1-CD2 3.61Å; L143-F169 HydrophobicContact CD1-CE2 3.9Å; L143-F169 HydrophobicContact CD1-CG 4.24Å; L143-F169 HydrophobicContact CD2-CD1 4.21Å; L143-F169 HydrophobicContact CD2-CD2 4.02Å; L143-F169 HydrophobicContact CD2-CE1 4.14Å; L143-F169 HydrophobicContact CD2-CE2 3.93Å; L143-F169 HydrophobicContact CD2-CG 4.15Å; L143-F169 HydrophobicContact CD2-CZ 3.99Å; L143-F169 HydrophobicContact CG-CD2 4.42Å; L143-F169 HydrophobicContact CG-CE2 4.37Å; L145-F169 HydrophobicContact CD2-CE2 4.13Å; L145-F169 HydrophobicContact CD2-CZ 3.96Å; F156-F169 HydrophobicContact CE1-CD2 4.48Å; L157-F169 HydrophobicContact CD2-CD2 4.28Å; L157-F169 HydrophobicContact CD2-CE2 3.98Å; V160-F169 HydrophobicContact CG1-CB 3.85Å; D165-F169 PolarHBondContact O-N 2.89Å; L166-F169 WeakPolarHBondContact O-CB 3.49Å; L166-F169 PolarHBondContact O-N 2.86Å; L167-F169 VanDerWaalsContact C-N 3.32Å; F169-R171 VanDerWaalsContact C-N 3.31Å; F169-R171 PolarHBondContact O-N 3.35Å; F169-T172 PolarHBondContact O-N 2.87Å; F169-I173 HydrophobicContact CD1-CD1 4.09Å; F169-I173 HydrophobicContact CD2-CG2 3.88Å; F169-I173 HydrophobicContact CE1-CD1 3.56Å; F169-I173 HydrophobicContact CE1-CG2 4.49Å; F169-I173 HydrophobicContact CE2-CD1 4.42Å; F169-I173 HydrophobicContact CE2-CG2 3.51Å; F169-I173 HydrophobicContact CZ-CD1 3.75Å; F169-I173 HydrophobicContact CZ-CG2 3.86Å; F169-I173 WeakPolarHBondContact O-CG2 3.4Å; F169-I173 PolarHBondContact O-N 2.94Å
170F95.3Very high95.1Very high44 Ų4452.6 Ų52.619%0.19325%0.248CC..Hα-helixtrans-63.3-36.9-174.1-73.6-59.5000112.5I87 L110 F119 V121 L166 L167 I173 R174I87-F170 HydrophobicContact CD1-CB 3.85Å; I87-F170 HydrophobicContact CD1-CD1 3.85Å; I87-F170 HydrophobicContact CD1-CG 4.24Å; L110-F170 HydrophobicContact CD1-CZ 4.14Å; F119-F170 AromaticContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CE2-CE1 3.72Å; F119-F170 HydrophobicContact CZ-CD1 4.42Å; F119-F170 AromaticContact CZ-CE1 3.82Å; F119-F170 HydrophobicContact CZ-CE1 3.82Å; V121-F170 HydrophobicContact CG2-CE1 4.42Å; V121-F170 HydrophobicContact CG2-CZ 4.16Å; L166-F170 HydrophobicContact CB-CE2 4.38Å; L166-F170 HydrophobicContact CD2-CE2 4.46Å; L166-F170 WeakPolarHBondContact O-CD2 3.46Å; L166-F170 PolarHBondContact O-N 2.84Å; L167-F170 PolarHBondContact O-N 3.13Å; F170-I173 HydrophobicContact CD1-CD1 3.84Å; F170-I173 HydrophobicContact CE1-CD1 4.42Å; F170-I173 WeakPolarHBondContact O-CG1 3.39Å; F170-R174 VanDerWaalsContact O-CB 3.29Å; F170-R174 WeakPolarHBondContact O-CB 3.25Å; F170-R174 PolarHBondContact O-N 3.46Å
171R94.9Very high94.9Very high168 Ų16854.4 Ų54.463%0.63426%0.257SS*.Hα-helixtrans-65-45.2176.1-76.5178.7171.5179.7-1.5112.1L167 L168 F169 S175L167-R171 HydrophobicContact CD1-CG 4.3Å; L167-R171 WeakPolarHBondContact O-CB 3.44Å; L167-R171 WeakPolarHBondContact O-CG 3.29Å; L167-R171 PolarHBondContact O-N 2.84Å; L168-R171 PolarHBondContact O-N 3.21Å; F169-R171 VanDerWaalsContact C-N 3.31Å; F169-R171 PolarHBondContact O-N 3.35Å; R171-S175 PolarHBondContact O-N 3.39Å; R171-S175 VanDerWaalsContact O-N 3.17Å
172T95.6Very high94.8Very high4 Ų453.6 Ų53.63%0.02525%0.254CS..Hα-helixtrans-70.7-45.4-177.7-64.30000111.7F156 L168 F169 R174 S175 Y176 V229 G233 V235F156-T172 HydrophobicContact CD1-CG2 4.14Å; F156-T172 HydrophobicContact CD2-CG2 4.33Å; F156-T172 HydrophobicContact CE1-CG2 3.64Å; F156-T172 HydrophobicContact CE2-CG2 3.84Å; F156-T172 HydrophobicContact CG-CG2 4.46Å; F156-T172 HydrophobicContact CZ-CG2 3.48Å; F156-T172 VanDerWaalsContact CZ-CG2 3.48Å; F156-T172 WeakPolarHBondContact CZ-OG1 3.26Å; L168-T172 WeakPolarHBondContact O-CB 3.34Å; L168-T172 PolarHBondContact O-N 3.3Å; L168-T172 PolarHBondContact O-OG1 3.29Å; L168-T172 VanDerWaalsContact O-OG1 3.11Å; F169-T172 PolarHBondContact O-N 2.87Å; T172-R174 VanDerWaalsContact C-N 3.3Å; T172-R174 PolarHBondContact O-N 3.3Å; T172-S175 PolarHBondContact O-N 3.29Å; T172-Y176 VanDerWaalsContact O-CB 3.32Å; T172-Y176 WeakPolarHBondContact O-CB 3.46Å; T172-Y176 PolarHBondContact O-N 2.92Å; T172-V229 HydrophobicContact CG2-CG1 3.48Å; T172-V229 VanDerWaalsContact CG2-CG1 3.48Å; T172-G233 WeakPolarHBondContact OG1-CA 3.31Å; T172-G233 PolarHBondContact OG1-O 2.94Å; T172-V235 HydrophobicContact CG2-CG2 3.97Å
173I94Very high94.7Very high0 Ų047.1 Ų47.10%022%0.224CC..Hα-helixtrans-62.2-39.9179.468.6-177.8000111.4L117 F119 F169 F170 S175 Y176 S177L117-I173 HydrophobicContact CD2-CB 4.11Å; L117-I173 HydrophobicContact CD2-CG2 4.47Å; F119-I173 HydrophobicContact CD1-CD1 3.68Å; F119-I173 HydrophobicContact CE1-CD1 3.78Å; F119-I173 HydrophobicContact CG-CD1 4.19Å; F119-I173 HydrophobicContact CZ-CD1 4.39Å; F169-I173 HydrophobicContact CD1-CD1 4.09Å; F169-I173 HydrophobicContact CD2-CG2 3.88Å; F169-I173 HydrophobicContact CE1-CD1 3.56Å; F169-I173 HydrophobicContact CE1-CG2 4.49Å; F169-I173 HydrophobicContact CE2-CD1 4.42Å; F169-I173 HydrophobicContact CE2-CG2 3.51Å; F169-I173 HydrophobicContact CZ-CD1 3.75Å; F169-I173 HydrophobicContact CZ-CG2 3.86Å; F169-I173 WeakPolarHBondContact O-CG2 3.4Å; F169-I173 PolarHBondContact O-N 2.94Å; F170-I173 HydrophobicContact CD1-CD1 3.84Å; F170-I173 HydrophobicContact CE1-CD1 4.42Å; F170-I173 WeakPolarHBondContact O-CG1 3.39Å; I173-S175 PolarHBondContact O-N 2.93Å; I173-Y176 PolarHBondContact O-N 2.96Å; I173-S177 WeakPolarHBondContact O-CB 3.24Å; I173-S177 PolarHBondContact O-N 3.38Å; I173-S177 PolarHBondContact O-OG 2.91Å
174R94.1Very high94.7Very high90 Ų9045.2 Ų45.234%0.3421%0.212SC..Hα-helixtrans-58.9-50.3175.9176.8-159.1172.6148.86.4110.8M84 N85 I87 F170 T172 Y176 S177 E178M84-R174 PolarHBondContact O-NH1 3.4Å; M84-R174 PolarHBondContact O-NH2 3.24Å; N85-R174 WeakPolarHBondContact O-CD 3.49Å; N85-R174 WeakPolarHBondContact O-CG 3.28Å; N85-R174 PolarHBondContact O-NE 2.95Å; N85-R174 PolarHBondContact O-NH1 2.88Å; I87-R174 HydrophobicContact CD1-CB 4.28Å; I87-R174 HydrophobicContact CG1-CB 4.41Å; F170-R174 VanDerWaalsContact O-CB 3.29Å; F170-R174 WeakPolarHBondContact O-CB 3.25Å; F170-R174 PolarHBondContact O-N 3.46Å; T172-R174 VanDerWaalsContact C-N 3.3Å; T172-R174 PolarHBondContact O-N 3.3Å; R174-Y176 VanDerWaalsContact C-N 3.34Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-N 2.93Å; R174-S177 PolarHBondContact O-OG 3.4Å; R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.26Å; R174-E178 PolarHBondContact O-N 3.25Å
175S94.4Very high94.6Very high40 Ų4046.5 Ų46.528%0.2822%0.217SC..Hα-helixtrans-66.1-39.2-178.6-177.60000111.6R171 T172 I173 K179R171-S175 PolarHBondContact O-N 3.39Å; R171-S175 VanDerWaalsContact O-N 3.17Å; T172-S175 PolarHBondContact O-N 3.29Å; I173-S175 PolarHBondContact O-N 2.93Å; S175-K179 VanDerWaalsContact O-CG 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.4Å; S175-K179 PolarHBondContact O-N 3.47Å; S175-K179 VanDerWaalsContact O-N 3.11Å
176Y94.2Very high94.7Very high8 Ų843.6 Ų43.63%0.03120%0.202CC..Hα-helixtrans-62.3-50.6175.7174.6-95.1000111.6L117 L153 T172 I173 R174 E178 K179 C180 V227 V229L117-Y176 HydrophobicContact CD2-CD1 4.06Å; L117-Y176 HydrophobicContact CD2-CE1 4.47Å; L153-Y176 HydrophobicContact CD1-CD1 4.38Å; L153-Y176 HydrophobicContact CD1-CE1 4.01Å; L153-Y176 HydrophobicContact CD2-CD2 4.44Å; L153-Y176 HydrophobicContact CD2-CG 4.49Å; T172-Y176 VanDerWaalsContact O-CB 3.32Å; T172-Y176 WeakPolarHBondContact O-CB 3.46Å; T172-Y176 PolarHBondContact O-N 2.92Å; I173-Y176 PolarHBondContact O-N 2.96Å; R174-Y176 VanDerWaalsContact C-N 3.34Å; Y176-E178 VanDerWaalsContact C-N 3.32Å; Y176-E178 PolarHBondContact O-N 3.38Å; Y176-K179 PolarHBondContact O-N 3.2Å; Y176-C180 PolarHBondContact O-N 2.95Å; Y176-C180 PolarHBondContact O-SG 2.85Å; Y176-V227 HydrophobicContact CD2-CB 4.14Å; Y176-V227 HydrophobicContact CD2-CG1 3.62Å; Y176-V227 HydrophobicContact CE2-CB 3.93Å; Y176-V227 HydrophobicContact CE2-CG1 3.94Å; Y176-V229 HydrophobicContact CD2-CG2 3.44Å; Y176-V229 VanDerWaalsContact CD2-CG2 3.44Å; Y176-V229 HydrophobicContact CE2-CG2 4.09Å; Y176-V229 HydrophobicContact CG-CG2 4.2Å
177S93.1Very high94.8Very high4 Ų442.3 Ų42.33%0.02820%0.195CC..Hα-helixtrans-63.8-38.1179.856.70000112.2S114 I173 R174 K179 C180 D181S114-S177 WeakPolarHBondContact CB-OG 3.45Å; S114-S177 VanDerWaalsContact O-CB 3.25Å; S114-S177 WeakPolarHBondContact O-CB 3.34Å; S114-S177 PolarHBondContact OG-OG 3.23Å; I173-S177 WeakPolarHBondContact O-CB 3.24Å; I173-S177 PolarHBondContact O-N 3.38Å; I173-S177 PolarHBondContact O-OG 2.91Å; R174-S177 WeakPolarHBondContact CA-OG 3.28Å; R174-S177 PolarHBondContact O-N 2.93Å; R174-S177 PolarHBondContact O-OG 3.4Å; S177-K179 VanDerWaalsContact C-N 3.33Å; S177-K179 PolarHBondContact O-N 2.97Å; S177-C180 PolarHBondContact O-N 3.35Å; S177-D181 WeakPolarHBondContact O-CB 3.45Å; S177-D181 PolarHBondContact O-N 2.78Å
178E93.3Very high94.9Very high66 Ų6641.6 Ų41.631%0.30819%0.189SC..Hα-helixtrans-61.4-41.5174.8-177.9-178.9179.400111.3Y115 R174 Y176 D181 D182Y115-E178 HydrophobicContact CE2-CB 4.12Å; R174-E178 VanDerWaalsContact O-CB 3.3Å; R174-E178 WeakPolarHBondContact O-CB 3.26Å; R174-E178 PolarHBondContact O-N 3.25Å; Y176-E178 VanDerWaalsContact C-N 3.32Å; Y176-E178 PolarHBondContact O-N 3.38Å; E178-D181 PolarHBondContact O-N 3.46Å; E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 2.81Å
179K93.7Very high95Very high57 Ų5743.7 Ų43.725%0.24820%0.198CC..Hα-helixtrans-69.8-33.3177.3-66.3-68145.2-134.80112.9S175 Y176 S177 D182 R183 V227 V235 P237S175-K179 VanDerWaalsContact O-CG 3.3Å; S175-K179 WeakPolarHBondContact O-CG 3.4Å; S175-K179 PolarHBondContact O-N 3.47Å; S175-K179 VanDerWaalsContact O-N 3.11Å; Y176-K179 PolarHBondContact O-N 3.2Å; S177-K179 VanDerWaalsContact C-N 3.33Å; S177-K179 PolarHBondContact O-N 2.97Å; K179-D182 IonicContact NZ-OD2 3.72Å; K179-D182 PolarHBondContact NZ-OD2 3.15Å; K179-R183 PolarHBondContact O-N 3.42Å; K179-R183 VanDerWaalsContact O-N 3.14Å; K179-V227 HydrophobicContact CB-CG1 3.92Å; K179-V227 HydrophobicContact CB-CG2 3.9Å; K179-V235 HydrophobicContact CB-CG1 4.48Å; K179-V235 HydrophobicContact CG-CG1 4.06Å; K179-P237 HydrophobicContact CD-CG 4.38Å
180C92.3Very high95Very high21 Ų2143.8 Ų43.814%0.14220%0.198CC..Hα-helixtrans-69.3-38.9173.3-62.60000111.5Y176 S177 R183 T184Y176-C180 PolarHBondContact O-N 2.95Å; Y176-C180 PolarHBondContact O-SG 2.85Å; S177-C180 PolarHBondContact O-N 3.35Å; C180-R183 PolarHBondContact O-N 3.14Å; C180-T184 WeakPolarHBondContact O-CB 3.46Å; C180-T184 PolarHBondContact O-N 2.84Å; C180-T184 PolarHBondContact O-OG1 2.86Å
181D93.4Very high95.1Very high37 Ų3745.2 Ų45.220%0.19821%0.205CC..Hα-helixtrans-65.2-44.2174.3177.677.6000111.6Y115 S177 E178 R183 T184 R185Y115-D181 HydrophobicContact CD1-CB 3.53Å; Y115-D181 WeakPolarHBondContact CD1-OD1 3.44Å; Y115-D181 HydrophobicContact CE1-CB 3.79Å; Y115-D181 VanDerWaalsContact CE1-CG 3.45Å; Y115-D181 WeakPolarHBondContact CE1-OD2 3.32Å; Y115-D181 HydrophobicContact CG-CB 4.06Å; S177-D181 WeakPolarHBondContact O-CB 3.45Å; S177-D181 PolarHBondContact O-N 2.78Å; E178-D181 PolarHBondContact O-N 3.46Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 3.41Å; D181-T184 PolarHBondContact O-N 2.76Å; D181-T184 VanDerWaalsContact O-N 3.17Å; D181-R185 PolarHBondContact O-N 2.93Å; D181-R185 IonicContact OD1-NE 2.78Å; D181-R185 IonicContact OD2-CZ 2.59Å; D181-R185 VanDerWaalsContact OD2-CZ 3.25Å; D181-R185 IonicContact OD2-NE 3.34Å; D181-R185 PolarHBondContact OD2-NE 3.4Å; D181-R185 IonicContact OD2-NH2 3.98Å; D181-R185 PolarHBondContact OD2-NH2 3.28Å
182D94.8Very high95.2Very high39 Ų3943.4 Ų43.421%0.20920%0.204CC..Hα-helixtrans-53.9-50.1173-75.1-24.4000110.9E178 K179 T184 R185 T186E178-D182 VanDerWaalsContact O-CG 3.29Å; E178-D182 PolarHBondContact O-N 2.81Å; K179-D182 IonicContact NZ-OD2 3.72Å; K179-D182 PolarHBondContact NZ-OD2 3.15Å; D182-T184 PolarHBondContact O-N 2.82Å; D182-R185 PolarHBondContact O-N 2.79Å; D182-R185 IonicContact OD1-CZ 2.73Å; D182-R185 IonicContact OD1-NH2 3.41Å; D182-R185 PolarHBondContact OD1-NH2 2.86Å; D182-T186 WeakPolarHBondContact O-CB 3.39Å; D182-T186 PolarHBondContact O-N 2.95Å; D182-T186 PolarHBondContact O-OG1 2.92Å
183R95.3Very high95.2Very high9 Ų947.6 Ų47.63%0.03422%0.222CC..Hα-helixtrans-55.9-50.3175.5177.3-178.574-160.43.2111.5K179 C180 D181 R185 T186 F187 G205 S206 E207 W225K179-R183 PolarHBondContact O-N 3.42Å; K179-R183 VanDerWaalsContact O-N 3.14Å; C180-R183 PolarHBondContact O-N 3.14Å; D181-R183 VanDerWaalsContact C-N 3.34Å; D181-R183 PolarHBondContact O-N 3.41Å; R183-R185 PolarHBondContact O-N 3.34Å; R183-T186 PolarHBondContact O-N 3.47Å; R183-F187 HydrophobicContact CG-CD1 4.46Å; R183-F187 HydrophobicContact CG-CD2 4.21Å; R183-F187 HydrophobicContact CG-CE1 4.29Å; R183-F187 HydrophobicContact CG-CE2 4.02Å; R183-F187 HydrophobicContact CG-CG 4.43Å; R183-F187 HydrophobicContact CG-CZ 4.08Å; R183-F187 WeakPolarHBondContact O-CB 3.4Å; R183-F187 PolarHBondContact O-N 3.26Å; R183-G205 PolarHBondContact NH2-O 2.87Å; R183-S206 PolarHBondContact NE-O 2.81Å; R183-S206 VanDerWaalsContact NE-O 3.15Å; R183-E207 IonicContact NH1-OE1 2.75Å; R183-E207 PolarHBondContact NH1-OE1 3.06Å; R183-W225 HydrophobicContact CB-CD2 3.91Å; R183-W225 HydrophobicContact CB-CE3 4.14Å; R183-W225 HydrophobicContact CB-CG 4.35Å; R183-W225 HydrophobicContact CB-CH2 4.26Å; R183-W225 HydrophobicContact CB-CZ2 4.11Å; R183-W225 HydrophobicContact CB-CZ3 4.3Å; R183-W225 WeakPolarHBondContact CD-O 3.46Å; R183-W225 HydrophobicContact CG-CB 4.2Å; R183-W225 HydrophobicContact CG-CD2 3.8Å; R183-W225 HydrophobicContact CG-CE3 3.92Å; R183-W225 HydrophobicContact CG-CG 3.94Å; R183-W225 HydrophobicContact CG-CZ3 4.46Å; R183-W225 PolarHBondContact NH1-O 2.97Å
184T95Very high95.3Very high34 Ų3449.4 Ų49.421%0.20923%0.23CC..Hα-helixtrans-58.8-48.1-177-57.90000111.2C180 D181 D182 F187 Q188 C204C180-T184 WeakPolarHBondContact O-CB 3.46Å; C180-T184 PolarHBondContact O-N 2.84Å; C180-T184 PolarHBondContact O-OG1 2.86Å; D181-T184 PolarHBondContact O-N 2.76Å; D181-T184 VanDerWaalsContact O-N 3.17Å; D182-T184 PolarHBondContact O-N 2.82Å; T184-F187 PolarHBondContact O-N 2.97Å; T184-Q188 WeakPolarHBondContact O-CB 3.31Å; T184-Q188 PolarHBondContact O-N 3.23Å; T184-C204 WeakPolarHBondContact CA-O 3.49Å; T184-C204 HydrophobicContact CG2-CB 4.03Å
185R96.3Very high95.3Very high129 Ų12949.8 Ų49.849%0.48724%0.244SC..Hα-helixtrans-63.8-42.9177.1-74.5-169.2-77.2123.33.9112.1D181 D182 R183 Q188 H189D181-R185 PolarHBondContact O-N 2.93Å; D181-R185 IonicContact OD1-NE 2.78Å; D181-R185 IonicContact OD2-CZ 2.59Å; D181-R185 VanDerWaalsContact OD2-CZ 3.25Å; D181-R185 IonicContact OD2-NE 3.34Å; D181-R185 PolarHBondContact OD2-NE 3.4Å; D181-R185 IonicContact OD2-NH2 3.98Å; D181-R185 PolarHBondContact OD2-NH2 3.28Å; D182-R185 PolarHBondContact O-N 2.79Å; D182-R185 IonicContact OD1-CZ 2.73Å; D182-R185 IonicContact OD1-NH2 3.41Å; D182-R185 PolarHBondContact OD1-NH2 2.86Å; R183-R185 PolarHBondContact O-N 3.34Å; R185-Q188 PolarHBondContact O-N 2.92Å; R185-H189 WeakPolarHBondContact O-CB 3.35Å; R185-H189 PolarHBondContact O-N 2.87Å
186T97Very high95.2Very high7 Ų751.9 Ų51.94%0.04326%0.259CS..Hα-helixtrans-64.2-43.7178.2-62.20000111.9D182 R183 H189 F190 W225 E276 I279D182-T186 WeakPolarHBondContact O-CB 3.39Å; D182-T186 PolarHBondContact O-N 2.95Å; D182-T186 PolarHBondContact O-OG1 2.92Å; R183-T186 PolarHBondContact O-N 3.47Å; T186-H189 PolarHBondContact O-N 3.28Å; T186-F190 HydrophobicContact CG2-CD2 3.75Å; T186-F190 HydrophobicContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact O-CD2 3.23Å; T186-F190 WeakPolarHBondContact O-CD2 3.39Å; T186-F190 PolarHBondContact O-N 2.91Å; T186-F190 VanDerWaalsContact O-N 3.13Å; T186-W225 HydrophobicContact CG2-CZ3 3.94Å; T186-E276 HydrophobicContact CG2-CG 4.14Å; T186-I279 HydrophobicContact CG2-CD1 4.18Å
187F97.2Very high95.2Very high0 Ų052 Ų520%026%0.26CS..Hα-helixtrans-64.1-46177.8-79.78.9000111.7R183 T184 H189 F190 Q191 L200 S206 M209 I223 W225R183-F187 HydrophobicContact CG-CD1 4.46Å; R183-F187 HydrophobicContact CG-CD2 4.21Å; R183-F187 HydrophobicContact CG-CE1 4.29Å; R183-F187 HydrophobicContact CG-CE2 4.02Å; R183-F187 HydrophobicContact CG-CG 4.43Å; R183-F187 HydrophobicContact CG-CZ 4.08Å; R183-F187 WeakPolarHBondContact O-CB 3.4Å; R183-F187 PolarHBondContact O-N 3.26Å; T184-F187 PolarHBondContact O-N 2.97Å; F187-H189 VanDerWaalsContact C-N 3.34Å; F187-H189 PolarHBondContact O-N 3.43Å; F187-F190 PolarHBondContact O-N 3.34Å; F187-Q191 PolarHBondContact O-N 2.83Å; F187-L200 HydrophobicContact CB-CD1 3.99Å; F187-L200 HydrophobicContact CB-CD2 4.02Å; F187-L200 HydrophobicContact CD2-CD2 3.99Å; F187-L200 HydrophobicContact CG-CD2 4.18Å; F187-S206 WeakPolarHBondContact CE2-O 3.39Å; F187-M209 HydrophobicContact CD1-CB 4.02Å; F187-M209 HydrophobicContact CD1-CE 4.35Å; F187-M209 HydrophobicContact CD1-SD 3.98Å; F187-M209 HydrophobicContact CD2-CB 4.03Å; F187-M209 HydrophobicContact CE1-CB 3.79Å; F187-M209 HydrophobicContact CE1-CE 4.27Å; F187-M209 HydrophobicContact CE1-SD 4.37Å; F187-M209 HydrophobicContact CE2-CB 3.8Å; F187-M209 HydrophobicContact CG-CB 4.14Å; F187-M209 HydrophobicContact CG-SD 4.4Å; F187-M209 HydrophobicContact CZ-CB 3.67Å; F187-I223 HydrophobicContact CE1-CG2 4.25Å; F187-I223 HydrophobicContact CZ-CG2 4.44Å; F187-W225 HydrophobicContact CD1-CE3 4.5Å; F187-W225 HydrophobicContact CE1-CB 4.46Å; F187-W225 AromaticContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CZ-CB 4Å; F187-W225 HydrophobicContact CZ-CE3 4.47Å
188Q96.9Very high95.3Very high82 Ų8252 Ų5238%0.38326%0.26SS..Hα-helixtrans-58.7-46.2175.3-177.7176.2-200111.4T184 R185 F190 Q191 E192 C204T184-Q188 WeakPolarHBondContact O-CB 3.31Å; T184-Q188 PolarHBondContact O-N 3.23Å; R185-Q188 PolarHBondContact O-N 2.92Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.46Å; Q188-Q191 PolarHBondContact O-N 3.23Å; Q188-E192 HydrophobicContact CG-CG 4.46Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.08Å; Q188-E192 PolarHBondContact NE2-OE1 3.42Å; Q188-E192 WeakPolarHBondContact O-CG 3.46Å; Q188-E192 PolarHBondContact O-N 2.93Å; Q188-C204 HydrophobicContact CB-CB 4.2Å
189H97.4Very high95.4Very high79 Ų7950.9 Ų50.937%0.36626%0.259SS..Hα-helixtrans-54.5-47.2177.8175.468.9000112.2R185 T186 F187 E192 K193R185-H189 WeakPolarHBondContact O-CB 3.35Å; R185-H189 PolarHBondContact O-N 2.87Å; T186-H189 PolarHBondContact O-N 3.28Å; F187-H189 VanDerWaalsContact C-N 3.34Å; F187-H189 PolarHBondContact O-N 3.43Å; H189-E192 PolarHBondContact O-N 3.01Å; H189-K193 VanDerWaalsContact O-CB 3.24Å; H189-K193 WeakPolarHBondContact O-CB 3.47Å; H189-K193 PolarHBondContact O-N 3.33Å
190F97.4Very high95.4Very high1 Ų148.9 Ų48.90%0.00425%0.251CS..Hα-helixtrans-73.2-32.3-179.3-73.5-54.1000113.5T186 F187 Q188 E192 K193 F194 V198 M209 E276 I279 E280 I283T186-F190 HydrophobicContact CG2-CD2 3.75Å; T186-F190 HydrophobicContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact CG2-CE2 3.49Å; T186-F190 VanDerWaalsContact O-CD2 3.23Å; T186-F190 WeakPolarHBondContact O-CD2 3.39Å; T186-F190 PolarHBondContact O-N 2.91Å; T186-F190 VanDerWaalsContact O-N 3.13Å; F187-F190 PolarHBondContact O-N 3.34Å; Q188-F190 VanDerWaalsContact C-N 3.32Å; Q188-F190 PolarHBondContact O-N 3.46Å; F190-E192 VanDerWaalsContact C-N 3.34Å; F190-K193 PolarHBondContact O-N 2.95Å; F190-F194 AromaticContact CD1-CD2 3.93Å; F190-F194 HydrophobicContact CD1-CD2 3.93Å; F190-F194 AromaticContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CE1-CE2 4.24Å; F190-F194 PolarHBondContact O-N 3.1Å; F190-V198 HydrophobicContact CB-CG1 4.38Å; F190-V198 HydrophobicContact CB-CG2 4.21Å; F190-M209 HydrophobicContact CB-SD 4.11Å; F190-E276 HydrophobicContact CZ-CB 4.37Å; F190-E276 VanDerWaalsContact CZ-O 3.31Å; F190-E276 WeakPolarHBondContact CZ-O 3.38Å; F190-I279 HydrophobicContact CD2-CB 4.39Å; F190-I279 HydrophobicContact CD2-CG2 3.59Å; F190-I279 HydrophobicContact CE2-CB 3.73Å; F190-I279 HydrophobicContact CE2-CD1 4.4Å; F190-I279 HydrophobicContact CE2-CG2 3.42Å; F190-I279 VanDerWaalsContact CE2-CG2 3.42Å; F190-I279 HydrophobicContact CG-CG2 4.3Å; F190-I279 HydrophobicContact CZ-CB 4.17Å; F190-I279 HydrophobicContact CZ-CG2 4.03Å; F190-E280 HydrophobicContact CE1-CB 3.79Å; F190-E280 HydrophobicContact CE1-CG 4.32Å; F190-E280 HydrophobicContact CZ-CB 3.99Å; F190-I283 HydrophobicContact CB-CD1 3.86Å; F190-I283 HydrophobicContact CD1-CD1 3.48Å; F190-I283 VanDerWaalsContact CD1-CD1 3.48Å; F190-I283 HydrophobicContact CD2-CD1 4.25Å; F190-I283 HydrophobicContact CE1-CD1 4.07Å; F190-I283 HydrophobicContact CG-CD1 3.6Å
191Q96.4Very high95.1Very high74 Ų7452.7 Ų52.735%0.34628%0.276SS..Hα-helixtrans-62.7-42.4172.1-173.5179.938.200111.5F187 Q188 P195 V198 L200F187-Q191 PolarHBondContact O-N 2.83Å; Q188-Q191 PolarHBondContact O-N 3.23Å; Q191-P195 VanDerWaalsContact O-CA 3.3Å; Q191-P195 WeakPolarHBondContact O-CA 3.47Å; Q191-P195 WeakPolarHBondContact O-CB 3.49Å; Q191-V198 HydrophobicContact CB-CG1 4.09Å; Q191-L200 HydrophobicContact CB-CD1 3.88Å; Q191-L200 HydrophobicContact CB-CG 4.3Å; Q191-L200 HydrophobicContact CG-CD1 4.31Å; Q191-L200 HydrophobicContact CG-CG 4.46Å
192E96.8Very high94.8Very high130 Ų13058.1 Ų58.161%0.60730%0.3SS*.Hα-helixtrans-70-39.1177.6-70173.8-173.500112.2Q188 H189 F190Q188-E192 HydrophobicContact CG-CG 4.46Å; Q188-E192 WeakPolarHBondContact CG-OE1 3.08Å; Q188-E192 PolarHBondContact NE2-OE1 3.42Å; Q188-E192 WeakPolarHBondContact O-CG 3.46Å; Q188-E192 PolarHBondContact O-N 2.93Å; H189-E192 PolarHBondContact O-N 3.01Å; F190-E192 VanDerWaalsContact C-N 3.34Å
193K96.4Very high94.6Very high92 Ų9257.7 Ų57.740%0.431%0.305SS..Hα-helixtrans-77.4-33.9-177.4-171.3175.6174.8-175.90113.4H189 F190 E280H189-K193 VanDerWaalsContact O-CB 3.24Å; H189-K193 WeakPolarHBondContact O-CB 3.47Å; H189-K193 PolarHBondContact O-N 3.33Å; F190-K193 PolarHBondContact O-N 2.95Å; K193-E280 IonicContact NZ-OE1 2.97Å; K193-E280 PolarHBondContact NZ-OE1 2.94Å; K193-E280 IonicContact NZ-OE2 3.1Å; K193-E280 PolarHBondContact NZ-OE2 2.73Å
194F95.4Very high94.1Very high39 Ų3959.2 Ų59.217%0.17132%0.317CS..  trans-133.158.7-176-55.6-77.8000112.6F190 S196 I197 V198 E280 I283F190-F194 AromaticContact CD1-CD2 3.93Å; F190-F194 HydrophobicContact CD1-CD2 3.93Å; F190-F194 AromaticContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CD1-CE2 3.88Å; F190-F194 HydrophobicContact CE1-CE2 4.24Å; F190-F194 PolarHBondContact O-N 3.1Å; F194-S196 PolarHBondContact O-N 3.34Å; F194-S196 VanDerWaalsContact O-N 3.13Å; F194-I197 HydrophobicContact CB-CB 4.42Å; F194-I197 PolarHBondContact O-N 3.15Å; F194-V198 HydrophobicContact CB-CG2 3.94Å; F194-V198 WeakPolarHBondContact O-CB 3.32Å; F194-V198 PolarHBondContact O-N 3.28Å; F194-E280 HydrophobicContact CE2-CG 4.34Å; F194-E280 HydrophobicContact CZ-CG 4.32Å; F194-I283 HydrophobicContact CB-CG2 3.97Å; F194-I283 HydrophobicContact CD1-CG2 3.93Å; F194-I283 HydrophobicContact CD2-CD1 4.04Å; F194-I283 HydrophobicContact CD2-CG2 3.66Å; F194-I283 HydrophobicContact CE1-CG2 4.28Å; F194-I283 HydrophobicContact CE2-CD1 4.39Å; F194-I283 HydrophobicContact CE2-CG2 4.01Å; F194-I283 HydrophobicContact CG-CG2 3.6Å; F194-I283 HydrophobicContact CZ-CG2 4.3Å
195P94.5Very high93.6Very high97 Ų9759.6 Ų59.663%0.6333%0.327SS*.THydrogen-bonded Turntrans-65.8-20.5-170.726.5-36.3000114.6Q191Q191-P195 VanDerWaalsContact O-CA 3.3Å; Q191-P195 WeakPolarHBondContact O-CA 3.47Å; Q191-P195 WeakPolarHBondContact O-CB 3.49Å
196S92.7Very high93.3Very high85 Ų8554.1 Ų54.159%0.59431%0.308SS*.THydrogen-bonded Turntrans-78.4-21175.852.10000113.4F194F194-S196 PolarHBondContact O-N 3.34Å; F194-S196 VanDerWaalsContact O-N 3.13Å
197I94Very high93.1Very high10 Ų1055.5 Ų55.55%0.05131%0.314CS..THydrogen-bonded Turntrans-108.6-41.7-174.5-49.8-58.7000110.8F194 L211 N212 P214 I283 V286 S287F194-I197 HydrophobicContact CB-CB 4.42Å; F194-I197 PolarHBondContact O-N 3.15Å; I197-L211 HydrophobicContact CG2-CB 4.46Å; I197-L211 CarbonylContact O-C 3.57Å; I197-L211 WeakPolarHBondContact O-CA 3.43Å; I197-N212 WeakPolarHBondContact CA-O 3.38Å; I197-N212 PolarHBondContact O-N 3.36Å; I197-P214 VanDerWaalsContact CD1-CD 3.5Å; I197-P214 HydrophobicContact CD1-CG 3.89Å; I197-I283 HydrophobicContact CG2-CG2 4.3Å; I197-V286 HydrophobicContact CG2-CB 4.37Å; I197-V286 HydrophobicContact CG2-CG1 3.83Å; I197-S287 WeakPolarHBondContact CG1-OG 3.47Å
198V95.9Very high93Very high4 Ų457.3 Ų57.32%0.02433%0.326CS..EExtended strand (participates in β ladder)trans-95.5129.9-171.9177.70000110.3F190 Q191 F194 M209 T210 L211 I283F190-V198 HydrophobicContact CB-CG1 4.38Å; F190-V198 HydrophobicContact CB-CG2 4.21Å; Q191-V198 HydrophobicContact CB-CG1 4.09Å; F194-V198 HydrophobicContact CB-CG2 3.94Å; F194-V198 WeakPolarHBondContact O-CB 3.32Å; F194-V198 PolarHBondContact O-N 3.28Å; V198-M209 HydrophobicContact CG1-CG 3.73Å; V198-M209 HydrophobicContact CG1-SD 3.53Å; V198-M209 VanDerWaalsContact CG1-SD 3.53Å; V198-T210 WeakPolarHBondContact CA-O 3.32Å; V198-L211 HydrophobicContact CB-CD2 4.47Å; V198-L211 HydrophobicContact CG2-CD2 3.7Å; V198-I283 HydrophobicContact CG2-CD1 3.83Å; V198-I283 HydrophobicContact CG2-CG1 4.23Å
199S94.4Very high93Very high43 Ų4353.4 Ų53.430%0.30131%0.307SS..EExtended strand (participates in β ladder)trans-135.1141.1174.3550000111.4P201 T210S199-P201 WeakPolarHBondContact O-CD 3.49Å; S199-T210 PolarHBondContact N-O 2.78Å; S199-T210 PolarHBondContact O-N 3.23Å; S199-T210 WeakPolarHBondContact OG-CB 3.49Å; S199-T210 PolarHBondContact OG-O 3.12Å
200L94.8Very high92.9Very high14 Ų1450.3 Ų50.37%0.07329%0.294CS..  trans-121.378.5-179-57.8179.3000108.7F187 Q191 E202 G203 C204 M209F187-L200 HydrophobicContact CB-CD1 3.99Å; F187-L200 HydrophobicContact CB-CD2 4.02Å; F187-L200 HydrophobicContact CD2-CD2 3.99Å; F187-L200 HydrophobicContact CG-CD2 4.18Å; Q191-L200 HydrophobicContact CB-CD1 3.88Å; Q191-L200 HydrophobicContact CB-CG 4.3Å; Q191-L200 HydrophobicContact CG-CD1 4.31Å; Q191-L200 HydrophobicContact CG-CG 4.46Å; L200-E202 PolarHBondContact O-N 3.22Å; L200-G203 PolarHBondContact O-N 3.23Å; L200-C204 HydrophobicContact CD1-CB 3.86Å; L200-M209 HydrophobicContact CD2-CB 3.67Å; L200-M209 HydrophobicContact CD2-CG 3.61Å; L200-M209 HydrophobicContact CD2-SD 4.38Å
201P85.7Confident92.7Very high102 Ų10250.2 Ų50.266%0.66229%0.294SS*.THydrogen-bonded Turntrans-61.9-30.5-17223.7-33.3000113.3S199S199-P201 WeakPolarHBondContact O-CD 3.49Å
202E87.4Confident92.5Very high150 Ų15048.9 Ų48.970%0.70129%0.289SS*.THydrogen-bonded Turntrans-100.48.9177.1-67.5175.4-179.600112.6L200 S206L200-E202 PolarHBondContact O-N 3.22Å; E202-S206 PolarHBondContact OE2-OG 3.34Å
203G89.6Confident92.1Very high31 Ų3143.9 Ų43.932%0.3227%0.265SS..  trans85.1173.6-175.800000114.1L200 G205 S206L200-G203 PolarHBondContact O-N 3.23Å; G203-G205 VanDerWaalsContact C-N 3.26Å; G203-G205 PolarHBondContact O-N 3.04Å; G203-S206 WeakPolarHBondContact O-CB 3.33Å; G203-S206 PolarHBondContact O-N 2.81Å
204C85Confident91.6Very high41 Ų4143.4 Ų43.428%0.27727%0.272SS..THydrogen-bonded Turntrans-69.3-19.9-17655.60000114.6T184 Q188 L200 S206T184-C204 WeakPolarHBondContact CA-O 3.49Å; T184-C204 HydrophobicContact CG2-CB 4.03Å; Q188-C204 HydrophobicContact CB-CB 4.2Å; L200-C204 HydrophobicContact CD1-CB 3.86Å; C204-S206 VanDerWaalsContact C-N 3.27Å; C204-S206 PolarHBondContact O-N 3.47Å
205G85.1Confident91.1Very high42 Ų4248.8 Ų48.843%0.43330%0.298SS..THydrogen-bonded Turntrans-74.7-13.1173.700000114.3R183 G203R183-G205 PolarHBondContact NH2-O 2.87Å; G203-G205 VanDerWaalsContact C-N 3.26Å; G203-G205 PolarHBondContact O-N 3.04Å
206S89.4Confident90.5Very high13 Ų1349 Ų499%0.09129%0.293CS..SBendtrans-66.6160.4-178.3178.50000112.6R183 F187 E202 G203 C204 V208R183-S206 PolarHBondContact NE-O 2.81Å; R183-S206 VanDerWaalsContact NE-O 3.15Å; F187-S206 WeakPolarHBondContact CE2-O 3.39Å; E202-S206 PolarHBondContact OE2-OG 3.34Å; G203-S206 WeakPolarHBondContact O-CB 3.33Å; G203-S206 PolarHBondContact O-N 2.81Å; C204-S206 VanDerWaalsContact C-N 3.27Å; C204-S206 PolarHBondContact O-N 3.47Å; S206-V208 VanDerWaalsContact C-N 3.26Å; S206-V208 PolarHBondContact OG-N 3.39Å; S206-V208 VanDerWaalsContact OG-N 3.13Å
207E92.7Very high89.7Confident36 Ų3650.1 Ų50.117%0.16830%0.298CS..SBendtrans-78.1-11.1171.3-47.6-152.4117.200112.8R183 Y224 W225 C226R183-E207 IonicContact NH1-OE1 2.75Å; R183-E207 PolarHBondContact NH1-OE1 3.06Å; E207-Y224 HydrophobicContact CB-CD2 4.02Å; E207-Y224 HydrophobicContact CB-CE2 3.6Å; E207-Y224 HydrophobicContact CG-CE2 4.44Å; E207-Y224 CarbonylContact O-C 3.54Å; E207-Y224 WeakPolarHBondContact O-CA 3.42Å; E207-Y224 WeakPolarHBondContact OE2-CE2 3.36Å; E207-Y224 VanDerWaalsContact OE2-CZ 3.25Å; E207-Y224 PolarHBondContact OE2-OH 3.45Å; E207-W225 PolarHBondContact O-N 2.8Å; E207-C226 WeakPolarHBondContact OE1-CA 3.4Å; E207-C226 VanDerWaalsContact OE1-CB 3.27Å; E207-C226 WeakPolarHBondContact OE1-CB 3.48Å
208V94.7Very high89Confident39 Ų3951.6 Ų51.624%0.23632%0.316CS..EExtended strand (participates in β ladder)trans-119.2125.8-172.8-178.20000111.9S206 F222 I223 Y224S206-V208 VanDerWaalsContact C-N 3.26Å; S206-V208 PolarHBondContact OG-N 3.39Å; S206-V208 VanDerWaalsContact OG-N 3.13Å; V208-F222 HydrophobicContact CG1-CB 4.35Å; V208-F222 HydrophobicContact CG1-CD1 4.03Å; V208-I223 WeakPolarHBondContact CA-O 3.48Å; V208-Y224 HydrophobicContact CG2-CD2 3.85Å; V208-Y224 HydrophobicContact CG2-CE2 4.47Å
209M96.7Very high88.3Confident0 Ų053.2 Ų53.20%033%0.327CS..EExtended strand (participates in β ladder)trans-111.8132164.1176177.87000109.7F187 F190 V198 L200 L211 F222 I223 I279F187-M209 HydrophobicContact CD1-CB 4.02Å; F187-M209 HydrophobicContact CD1-CE 4.35Å; F187-M209 HydrophobicContact CD1-SD 3.98Å; F187-M209 HydrophobicContact CD2-CB 4.03Å; F187-M209 HydrophobicContact CE1-CB 3.79Å; F187-M209 HydrophobicContact CE1-CE 4.27Å; F187-M209 HydrophobicContact CE1-SD 4.37Å; F187-M209 HydrophobicContact CE2-CB 3.8Å; F187-M209 HydrophobicContact CG-CB 4.14Å; F187-M209 HydrophobicContact CG-SD 4.4Å; F187-M209 HydrophobicContact CZ-CB 3.67Å; F190-M209 HydrophobicContact CB-SD 4.11Å; V198-M209 HydrophobicContact CG1-CG 3.73Å; V198-M209 HydrophobicContact CG1-SD 3.53Å; V198-M209 VanDerWaalsContact CG1-SD 3.53Å; L200-M209 HydrophobicContact CD2-CB 3.67Å; L200-M209 HydrophobicContact CD2-CG 3.61Å; L200-M209 HydrophobicContact CD2-SD 4.38Å; M209-L211 HydrophobicContact CE-CD2 4.01Å; M209-L211 HydrophobicContact CG-CD2 4.27Å; M209-L211 HydrophobicContact SD-CD2 4.4Å; M209-F222 CarbonylContact O-C 3.58Å; M209-F222 WeakPolarHBondContact O-CA 3.37Å; M209-I223 HydrophobicContact CB-CB 4.34Å; M209-I223 HydrophobicContact CE-CB 3.98Å; M209-I223 HydrophobicContact CE-CG1 3.7Å; M209-I223 HydrophobicContact CE-CG2 4.46Å; M209-I223 PolarHBondContact N-O 3.43Å; M209-I223 PolarHBondContact O-N 2.94Å; M209-I279 HydrophobicContact CE-CG2 3.5Å; M209-I279 VanDerWaalsContact CE-CG2 3.5Å
210T95.6Very high88Confident13 Ų1352 Ų528%0.0832%0.319CS..EExtended strand (participates in β ladder)trans-104.2136-179.3-52.70000110.7V198 S199 N212 F222V198-T210 WeakPolarHBondContact CA-O 3.32Å; S199-T210 PolarHBondContact N-O 2.78Å; S199-T210 PolarHBondContact O-N 3.23Å; S199-T210 WeakPolarHBondContact OG-CB 3.49Å; S199-T210 PolarHBondContact OG-O 3.12Å; T210-N212 WeakPolarHBondContact CG2-ND2 3.23Å; T210-F222 HydrophobicContact CG2-CD1 3.93Å; T210-F222 HydrophobicContact CG2-CE1 3.65Å; T210-F222 HydrophobicContact CG2-CZ 4.39Å; T210-F222 WeakPolarHBondContact OG1-CD1 3.45Å
211L94.7Very high87.9Confident0 Ų053.5 Ų53.50%032%0.324CS..EExtended strand (participates in β ladder)trans-116.6119.6177.3-47.7179.5000109.2I197 V198 M209 F221 I223 I282 I283I197-L211 HydrophobicContact CG2-CB 4.46Å; I197-L211 CarbonylContact O-C 3.57Å; I197-L211 WeakPolarHBondContact O-CA 3.43Å; V198-L211 HydrophobicContact CB-CD2 4.47Å; V198-L211 HydrophobicContact CG2-CD2 3.7Å; M209-L211 HydrophobicContact CE-CD2 4.01Å; M209-L211 HydrophobicContact CG-CD2 4.27Å; M209-L211 HydrophobicContact SD-CD2 4.4Å; L211-F221 HydrophobicContact CB-CB 4.17Å; L211-F221 HydrophobicContact CD1-CB 4.44Å; L211-F221 PolarHBondContact N-O 3.03Å; L211-F221 PolarHBondContact O-N 2.83Å; L211-I223 HydrophobicContact CD1-CG1 4.14Å; L211-I282 HydrophobicContact CD1-CB 4.47Å; L211-I282 HydrophobicContact CD1-CG2 3.7Å; L211-I283 HydrophobicContact CD1-CG1 4.11Å; L211-I283 HydrophobicContact CD2-CD1 4.41Å; L211-I283 HydrophobicContact CD2-CG1 3.85Å
212N91.6Very high88.3Confident46 Ų4651.3 Ų51.325%0.24630%0.304CS..EExtended strand (participates in β ladder)trans-128.6134.1-178.2-61-51.1000110.2I197 T210 C220I197-N212 WeakPolarHBondContact CA-O 3.38Å; I197-N212 PolarHBondContact O-N 3.36Å; T210-N212 WeakPolarHBondContact CG2-ND2 3.23Å; N212-C220 VanDerWaalsContact OD1-CB 3.31Å; N212-C220 WeakPolarHBondContact OD1-CB 3.3Å; N212-C220 PolarHBondContact OD1-SG 2.8Å
213H88.9Confident88.8Confident24 Ų2444.1 Ų44.111%0.11127%0.271CS..  trans-78.8132.7168.4-172-99.3000109.5E215 L216 V286H213-E215 IonicContact CE1-OE2 2.72Å; H213-E215 PolarHBondContact ND1-N 3.2Å; H213-E215 PolarHBondContact O-N 3.12Å; H213-E215 VanDerWaalsContact O-N 3.14Å; H213-L216 HydrophobicContact CB-CB 4.09Å; H213-L216 CarbonylContact O-C 3.51Å; H213-L216 PolarHBondContact O-N 3.35Å; H213-L216 VanDerWaalsContact O-N 3.11Å; H213-V286 HydrophobicContact CB-CG1 4.21Å; H213-V286 PolarHBondContact CD2-O 2.94Å
214P84.8Confident89Confident83 Ų8346 Ų4654%0.53927%0.269SS..THydrogen-bonded Turntrans-60.8-29.8-174.6-23.934.9000113.1I197I197-P214 VanDerWaalsContact CD1-CD 3.5Å; I197-P214 HydrophobicContact CD1-CG 3.89Å
215E85.4Confident89.5Confident152 Ų15244.6 Ų44.671%0.7126%0.258SS*.THydrogen-bonded Turntrans-96.7-10-177.7-48.4-178.3160.900113.1H213 P217H213-E215 IonicContact CE1-OE2 2.72Å; H213-E215 PolarHBondContact ND1-N 3.2Å; H213-E215 PolarHBondContact O-N 3.12Å; H213-E215 VanDerWaalsContact O-N 3.14Å; E215-P217 VanDerWaalsContact C-CD 3.41Å; E215-P217 WeakPolarHBondContact O-CD 3.45Å
216L81.9Confident89.8Confident101 Ų10143 Ų4353%0.52924%0.24SC..  trans-123.964.5-180-57.5171.9000111.3H213 G218 C219H213-L216 HydrophobicContact CB-CB 4.09Å; H213-L216 CarbonylContact O-C 3.51Å; H213-L216 PolarHBondContact O-N 3.35Å; H213-L216 VanDerWaalsContact O-N 3.11Å; L216-G218 PolarHBondContact O-N 3.17Å; L216-C219 HydrophobicContact CB-CB 4.49Å; L216-C219 PolarHBondContact O-N 2.87Å
217P74.5Confident90Very high108 Ų10842.5 Ų42.570%0.70124%0.236SC*.THydrogen-bonded Turntrans-64.8-11.2-173.727.4-36.6000114.5E215E215-P217 VanDerWaalsContact C-CD 3.41Å; E215-P217 WeakPolarHBondContact O-CD 3.45Å
218G79.3Confident90Very high42 Ų4243.2 Ų43.243%0.43324%0.241SC..THydrogen-bonded Turntrans-83.4-17.2175.400000114.4L216 P246L216-G218 PolarHBondContact O-N 3.17Å; G218-P246 WeakPolarHBondContact O-CD 3.37Å; G218-P246 VanDerWaalsContact O-CG 3.29Å; G218-P246 WeakPolarHBondContact O-CG 3.26Å
219C82.6Confident90Very high37 Ų3741.9 Ų41.925%0.2523%0.233CC..  trans-110.4113.3-176.8-66.70000109.8L216L216-C219 HydrophobicContact CB-CB 4.49Å; L216-C219 PolarHBondContact O-N 2.87Å
220C88.4Confident90Very high19 Ų1944.3 Ų44.313%0.12825%0.25CS..EExtended strand (participates in β ladder)trans-125.4144.7-176.9-50.70000110.4N212 F222 S243 K244N212-C220 VanDerWaalsContact OD1-CB 3.31Å; N212-C220 WeakPolarHBondContact OD1-CB 3.3Å; N212-C220 PolarHBondContact OD1-SG 2.8Å; C220-F222 HydrophobicContact CB-CE2 4.03Å; C220-F222 HydrophobicContact CB-CZ 3.96Å; C220-S243 WeakPolarHBondContact O-CA 3.48Å; C220-K244 HydrophobicContact CB-CB 4.47Å; C220-K244 PolarHBondContact N-O 2.98Å; C220-K244 PolarHBondContact O-N 3.45Å
221F92.1Very high89.9Confident45 Ų4546.7 Ų46.720%0.19727%0.265CS..EExtended strand (participates in β ladder)trans-115.5149.2166.8-64.4-90.5000110.2L211 L241 L242 A262 V286L211-F221 HydrophobicContact CB-CB 4.17Å; L211-F221 HydrophobicContact CD1-CB 4.44Å; L211-F221 PolarHBondContact N-O 3.03Å; L211-F221 PolarHBondContact O-N 2.83Å; F221-L241 HydrophobicContact CB-CD1 3.92Å; F221-L241 HydrophobicContact CD1-CD1 3.99Å; F221-L241 HydrophobicContact CD1-CD2 4.41Å; F221-L241 HydrophobicContact CD1-CG 4.31Å; F221-L241 HydrophobicContact CG-CD1 4.36Å; F221-L242 CarbonylContact C-O 3.53Å; F221-L242 WeakPolarHBondContact CA-O 3.35Å; F221-A262 HydrophobicContact CE1-CB 4.35Å; F221-V286 HydrophobicContact CD2-CG2 3.67Å; F221-V286 HydrophobicContact CE2-CG2 3.97Å
222F94.6Very high90Very high55 Ų5548.5 Ų48.524%0.24128%0.283CS..EExtended strand (participates in β ladder)trans-125.7128.4177.1-51.8-91000108.6V208 M209 T210 C220 L241 L242 K244V208-F222 HydrophobicContact CG1-CB 4.35Å; V208-F222 HydrophobicContact CG1-CD1 4.03Å; M209-F222 CarbonylContact O-C 3.58Å; M209-F222 WeakPolarHBondContact O-CA 3.37Å; T210-F222 HydrophobicContact CG2-CD1 3.93Å; T210-F222 HydrophobicContact CG2-CE1 3.65Å; T210-F222 HydrophobicContact CG2-CZ 4.39Å; T210-F222 WeakPolarHBondContact OG1-CD1 3.45Å; C220-F222 HydrophobicContact CB-CE2 4.03Å; C220-F222 HydrophobicContact CB-CZ 3.96Å; F222-L241 WeakPolarHBondContact O-CA 3.39Å; F222-L242 HydrophobicContact CB-CB 4.23Å; F222-L242 HydrophobicContact CD2-CB 4.44Å; F222-L242 PolarHBondContact N-O 2.9Å; F222-L242 PolarHBondContact O-N 3.24Å; F222-K244 HydrophobicContact CE2-CB 3.77Å
223I96.4Very high90.2Very high0 Ų046.9 Ų46.90%028%0.278CS..EExtended strand (participates in β ladder)trans-92.4109.5164.6-57.7-63.9000106.4F187 V208 M209 L211 I239 Q240 L241 F266 I279F187-I223 HydrophobicContact CE1-CG2 4.25Å; F187-I223 HydrophobicContact CZ-CG2 4.44Å; V208-I223 WeakPolarHBondContact CA-O 3.48Å; M209-I223 HydrophobicContact CB-CB 4.34Å; M209-I223 HydrophobicContact CE-CB 3.98Å; M209-I223 HydrophobicContact CE-CG1 3.7Å; M209-I223 HydrophobicContact CE-CG2 4.46Å; M209-I223 PolarHBondContact N-O 3.43Å; M209-I223 PolarHBondContact O-N 2.94Å; L211-I223 HydrophobicContact CD1-CG1 4.14Å; I223-I239 HydrophobicContact CG2-CG2 3.83Å; I223-Q240 WeakPolarHBondContact CA-O 3.33Å; I223-L241 HydrophobicContact CD1-CB 4.43Å; I223-L241 HydrophobicContact CD1-CD1 3.6Å; I223-F266 HydrophobicContact CD1-CE1 4.23Å; I223-F266 HydrophobicContact CD1-CE2 4.17Å; I223-F266 HydrophobicContact CD1-CZ 3.82Å; I223-I279 HydrophobicContact CG2-CD1 4.25Å; I223-I279 HydrophobicContact CG2-CG1 4.49Å
224Y95.1Very high90.5Very high71 Ų7148.4 Ų48.428%0.27829%0.294SS..EExtended strand (participates in β ladder)trans-95.8117.8171.7-179.5-113.3000108.9E207 V208 C226 I239 Q240E207-Y224 HydrophobicContact CB-CD2 4.02Å; E207-Y224 HydrophobicContact CB-CE2 3.6Å; E207-Y224 HydrophobicContact CG-CE2 4.44Å; E207-Y224 CarbonylContact O-C 3.54Å; E207-Y224 WeakPolarHBondContact O-CA 3.42Å; E207-Y224 WeakPolarHBondContact OE2-CE2 3.36Å; E207-Y224 VanDerWaalsContact OE2-CZ 3.25Å; E207-Y224 PolarHBondContact OE2-OH 3.45Å; V208-Y224 HydrophobicContact CG2-CD2 3.85Å; V208-Y224 HydrophobicContact CG2-CE2 4.47Å; Y224-C226 HydrophobicContact CE1-CB 3.89Å; Y224-C226 WeakPolarHBondContact OH-CB 3.49Å; Y224-I239 CarbonylContact O-C 3.48Å; Y224-I239 VanDerWaalsContact O-CA 3.31Å; Y224-I239 WeakPolarHBondContact O-CA 3.47Å; Y224-Q240 PolarHBondContact N-O 2.99Å; Y224-Q240 PolarHBondContact O-N 3.49Å
225W95.2Very high91.1Very high10 Ų1045.7 Ų45.74%0.03828%0.276CS..EExtended strand (participates in β ladder)trans-126.999.7-179.2-173.3-16.2000109.9R183 T186 F187 E207 K238 I239 T275 I279R183-W225 HydrophobicContact CB-CD2 3.91Å; R183-W225 HydrophobicContact CB-CE3 4.14Å; R183-W225 HydrophobicContact CB-CG 4.35Å; R183-W225 HydrophobicContact CB-CH2 4.26Å; R183-W225 HydrophobicContact CB-CZ2 4.11Å; R183-W225 HydrophobicContact CB-CZ3 4.3Å; R183-W225 WeakPolarHBondContact CD-O 3.46Å; R183-W225 HydrophobicContact CG-CB 4.2Å; R183-W225 HydrophobicContact CG-CD2 3.8Å; R183-W225 HydrophobicContact CG-CE3 3.92Å; R183-W225 HydrophobicContact CG-CG 3.94Å; R183-W225 HydrophobicContact CG-CZ3 4.46Å; R183-W225 PolarHBondContact NH1-O 2.97Å; T186-W225 HydrophobicContact CG2-CZ3 3.94Å; F187-W225 HydrophobicContact CD1-CE3 4.5Å; F187-W225 HydrophobicContact CE1-CB 4.46Å; F187-W225 AromaticContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CE1-CE3 3.87Å; F187-W225 HydrophobicContact CZ-CB 4Å; F187-W225 HydrophobicContact CZ-CE3 4.47Å; E207-W225 PolarHBondContact O-N 2.8Å; W225-K238 WeakPolarHBondContact CA-O 3.45Å; W225-I239 HydrophobicContact CB-CG1 4.35Å; W225-I239 HydrophobicContact CB-CG2 4.33Å; W225-I239 HydrophobicContact CD2-CD1 3.56Å; W225-I239 HydrophobicContact CD2-CG1 3.8Å; W225-I239 HydrophobicContact CE3-CD1 3.86Å; W225-I239 HydrophobicContact CE3-CG1 4.45Å; W225-I239 HydrophobicContact CG-CD1 4.06Å; W225-I239 HydrophobicContact CG-CG1 3.71Å; W225-I239 HydrophobicContact CG-CG2 4.47Å; W225-I239 HydrophobicContact CH2-CD1 4.29Å; W225-I239 HydrophobicContact CZ2-CD1 3.96Å; W225-I239 HydrophobicContact CZ3-CD1 4.21Å; W225-T275 HydrophobicContact CE3-CG2 4.14Å; W225-T275 HydrophobicContact CH2-CG2 3.44Å; W225-T275 VanDerWaalsContact CH2-CG2 3.44Å; W225-T275 HydrophobicContact CZ2-CG2 4.18Å; W225-T275 HydrophobicContact CZ3-CG2 3.39Å; W225-I279 HydrophobicContact CE3-CD1 4.37Å; W225-I279 HydrophobicContact CZ3-CD1 4.29Å
226C91.9Very high91.5Very high9 Ų941.9 Ų41.96%0.06126%0.264CS..EExtended strand (participates in β ladder)trans-104.7161173.174.10000111.6E207 Y224 P237 K238E207-C226 WeakPolarHBondContact OE1-CA 3.4Å; E207-C226 VanDerWaalsContact OE1-CB 3.27Å; E207-C226 WeakPolarHBondContact OE1-CB 3.48Å; Y224-C226 HydrophobicContact CE1-CB 3.89Å; Y224-C226 WeakPolarHBondContact OH-CB 3.49Å; C226-P237 WeakPolarHBondContact O-CA 3.32Å; C226-K238 PolarHBondContact N-O 2.87Å; C226-K238 PolarHBondContact O-N 2.75Å
227V92.9Very high92Very high2 Ų239.8 Ų39.81%0.01226%0.256CS..EExtended strand (participates in β ladder)trans-120.8109.8176.1-176.40000108.2Y176 K179 V235Y176-V227 HydrophobicContact CD2-CB 4.14Å; Y176-V227 HydrophobicContact CD2-CG1 3.62Å; Y176-V227 HydrophobicContact CE2-CB 3.93Å; Y176-V227 HydrophobicContact CE2-CG1 3.94Å; K179-V227 HydrophobicContact CB-CG1 3.92Å; K179-V227 HydrophobicContact CB-CG2 3.9Å; V227-V235 HydrophobicContact CG1-CG1 3.41Å; V227-V235 VanDerWaalsContact CG1-CG1 3.41Å
228D92.8Very high93Very high51 Ų5139.2 Ų39.227%0.27324%0.242SC..EExtended strand (participates in β ladder)trans-91.2143.2-179.8-74.6-5.5000111V235 T236 K238D228-V235 CarbonylContact O-C 3.55Å; D228-V235 WeakPolarHBondContact O-CA 3.34Å; D228-T236 PolarHBondContact N-O 3.45Å; D228-T236 PolarHBondContact O-N 3.45Å; D228-K238 VanDerWaalsContact OD2-CD 3.22Å; D228-K238 WeakPolarHBondContact OD2-CD 3.48Å; D228-K238 WeakPolarHBondContact OD2-CE 3.48Å; D228-K238 IonicContact OD2-NZ 3.47Å; D228-K238 PolarHBondContact OD2-NZ 2.88Å
229V95.1Very high93.7Very high11 Ų1137.9 Ų37.97%0.06723%0.225CC..EExtended strand (participates in β ladder)trans-118.1118.9173.2-175.40000109.1L153 F156 T172 Y176 V235L153-V229 HydrophobicContact CD2-CB 3.9Å; L153-V229 HydrophobicContact CD2-CG1 4.12Å; L153-V229 HydrophobicContact CD2-CG2 3.58Å; L153-V229 HydrophobicContact CG-CG2 4.49Å; F156-V229 HydrophobicContact CB-CG1 3.94Å; F156-V229 HydrophobicContact CD1-CG1 4.19Å; F156-V229 HydrophobicContact CD2-CG1 4.19Å; F156-V229 HydrophobicContact CG-CG1 3.83Å; T172-V229 HydrophobicContact CG2-CG1 3.48Å; T172-V229 VanDerWaalsContact CG2-CG1 3.48Å; Y176-V229 HydrophobicContact CD2-CG2 3.44Å; Y176-V229 VanDerWaalsContact CD2-CG2 3.44Å; Y176-V229 HydrophobicContact CE2-CG2 4.09Å; Y176-V229 HydrophobicContact CG-CG2 4.2Å; V229-V235 HydrophobicContact CG2-CG2 4.25Å
230S95.4Very high94.4Very high52 Ų5240.1 Ų40.136%0.36423%0.232SC..  trans-70.1158.3172.468.80000110.6G232 G233 A234S230-G232 PolarHBondContact O-N 3.45Å; S230-G232 PolarHBondContact OG-N 3.17Å; S230-G233 PolarHBondContact O-N 2.89Å; S230-G233 PolarHBondContact OG-N 2.99Å; S230-A234 PolarHBondContact N-O 2.89Å; S230-A234 VanDerWaalsContact OG-CB 3.3Å; S230-A234 WeakPolarHBondContact OG-CB 3.43Å; S230-A234 PolarHBondContact OG-N 3.03Å; S230-A234 PolarHBondContact OG-O 2.93Å
231T95Very high94.7Very high62 Ų6239.7 Ų39.738%0.3823%0.228SC..THydrogen-bonded Turntrans-56.8-20.6170.4-38.50000112.2S155 R159 G233S155-T231 WeakPolarHBondContact O-CG2 3.2Å; S155-T231 PolarHBondContact OG-OG1 2.79Å; R159-T231 HydrophobicContact CB-CG2 3.74Å; R159-T231 WeakPolarHBondContact CD-O 3.29Å; R159-T231 HydrophobicContact CG-CG2 4.15Å; R159-T231 VanDerWaalsContact NH1-C 3.34Å; R159-T231 PolarHBondContact NH1-O 3.04Å; T231-G233 VanDerWaalsContact C-N 3.34Å
232G95.6Very high94.7Very high38 Ų3841.6 Ų41.639%0.39224%0.24SC..THydrogen-bonded Turntrans-85.82.4174.400000115.4S230 A234S230-G232 PolarHBondContact O-N 3.45Å; S230-G232 PolarHBondContact OG-N 3.17Å; G232-A234 VanDerWaalsContact C-N 3.3Å; G232-A234 PolarHBondContact O-N 2.98Å
233G95.5Very high94.4Very high12 Ų1242.4 Ų42.412%0.12425%0.252CS..SBendtrans79.86.4-178.400000114.9F156 T172 S230 T231 V235F156-G233 VanDerWaalsContact CE2-CA 3.44Å; T172-G233 WeakPolarHBondContact OG1-CA 3.31Å; T172-G233 PolarHBondContact OG1-O 2.94Å; S230-G233 PolarHBondContact O-N 2.89Å; S230-G233 PolarHBondContact OG-N 2.99Å; T231-G233 VanDerWaalsContact C-N 3.34Å; G233-V235 PolarHBondContact O-N 3.31Å
234A96.6Very high94Very high56 Ų5649.2 Ų49.246%0.46328%0.282SS..  trans-70.6126169.800000110S230 G232S230-A234 PolarHBondContact N-O 2.89Å; S230-A234 VanDerWaalsContact OG-CB 3.3Å; S230-A234 WeakPolarHBondContact OG-CB 3.43Å; S230-A234 PolarHBondContact OG-N 3.03Å; S230-A234 PolarHBondContact OG-O 2.93Å; G232-A234 VanDerWaalsContact C-N 3.3Å; G232-A234 PolarHBondContact O-N 2.98Å
235V95.7Very high93.4Very high27 Ų2748.5 Ų48.516%0.16428%0.283CS..EExtended strand (participates in β ladder)trans-101.6122.9-179.3-179.50000108.8T172 K179 V227 D228 V229 G233T172-V235 HydrophobicContact CG2-CG2 3.97Å; K179-V235 HydrophobicContact CB-CG1 4.48Å; K179-V235 HydrophobicContact CG-CG1 4.06Å; V227-V235 HydrophobicContact CG1-CG1 3.41Å; V227-V235 VanDerWaalsContact CG1-CG1 3.41Å; D228-V235 CarbonylContact O-C 3.55Å; D228-V235 WeakPolarHBondContact O-CA 3.34Å; V229-V235 HydrophobicContact CG2-CG2 4.25Å; G233-V235 PolarHBondContact O-N 3.31Å
236T94.4Very high92.9Very high72 Ų7250.6 Ų50.644%0.44230%0.298SS..EExtended strand (participates in β ladder)trans-129.9112.9-176.4-55.10000110.9D228D228-T236 PolarHBondContact N-O 3.45Å; D228-T236 PolarHBondContact O-N 3.45Å
237P93.8Very high92.3Very high56 Ų5657.7 Ų57.736%0.36433%0.33SS..EExtended strand (participates in β ladder)trans-70.4135.4170.530.3-33.3000110K179 C226K179-P237 HydrophobicContact CD-CG 4.38Å; C226-P237 WeakPolarHBondContact O-CA 3.32Å
238K93.6Very high91.8Very high96 Ų9665.9 Ų65.942%0.41737%0.365SS..EExtended strand (participates in β ladder)trans-120.8119.1173.2-68-178.6178.4171.90108.9W225 C226 D228W225-K238 WeakPolarHBondContact CA-O 3.45Å; C226-K238 PolarHBondContact N-O 2.87Å; C226-K238 PolarHBondContact O-N 2.75Å; D228-K238 VanDerWaalsContact OD2-CD 3.22Å; D228-K238 WeakPolarHBondContact OD2-CD 3.48Å; D228-K238 WeakPolarHBondContact OD2-CE 3.48Å; D228-K238 IonicContact OD2-NZ 3.47Å; D228-K238 PolarHBondContact OD2-NZ 2.88Å
239I95.9Very high91Very high15 Ų1564.8 Ų64.88%0.07736%0.363CS..EExtended strand (participates in β ladder)trans-118125.8-177.9-43.9-176000108.3I223 Y224 W225 F266 Q267 L270 T275I223-I239 HydrophobicContact CG2-CG2 3.83Å; Y224-I239 CarbonylContact O-C 3.48Å; Y224-I239 VanDerWaalsContact O-CA 3.31Å; Y224-I239 WeakPolarHBondContact O-CA 3.47Å; W225-I239 HydrophobicContact CB-CG1 4.35Å; W225-I239 HydrophobicContact CB-CG2 4.33Å; W225-I239 HydrophobicContact CD2-CD1 3.56Å; W225-I239 HydrophobicContact CD2-CG1 3.8Å; W225-I239 HydrophobicContact CE3-CD1 3.86Å; W225-I239 HydrophobicContact CE3-CG1 4.45Å; W225-I239 HydrophobicContact CG-CD1 4.06Å; W225-I239 HydrophobicContact CG-CG1 3.71Å; W225-I239 HydrophobicContact CG-CG2 4.47Å; W225-I239 HydrophobicContact CH2-CD1 4.29Å; W225-I239 HydrophobicContact CZ2-CD1 3.96Å; W225-I239 HydrophobicContact CZ3-CD1 4.21Å; I239-F266 HydrophobicContact CG2-CE1 3.87Å; I239-F266 HydrophobicContact CG2-CZ 3.93Å; I239-Q267 PolarHBondContact O-NE2 3.39Å; I239-L270 HydrophobicContact CB-CD1 3.95Å; I239-L270 HydrophobicContact CB-CD2 4.46Å; I239-L270 HydrophobicContact CD1-CD2 4.21Å; I239-L270 HydrophobicContact CG2-CD1 4.41Å; I239-T275 HydrophobicContact CD1-CG2 3.5Å; I239-T275 VanDerWaalsContact CD1-CG2 3.5Å
240Q95.4Very high90.1Very high84 Ų8468.7 Ų68.739%0.39338%0.383SS..EExtended strand (participates in β ladder)trans-130.7144.1-177-58.6-17723.600110.3I223 Y224I223-Q240 WeakPolarHBondContact CA-O 3.33Å; Y224-Q240 PolarHBondContact N-O 2.99Å; Y224-Q240 PolarHBondContact O-N 3.49Å
241L95.1Very high89.3Confident10 Ų1073.5 Ų73.55%0.05240%0.4CS..EExtended strand (participates in β ladder)trans-102.1118.9170.5177.369.8000108.1F221 F222 I223 A262 F266 I282F221-L241 HydrophobicContact CB-CD1 3.92Å; F221-L241 HydrophobicContact CD1-CD1 3.99Å; F221-L241 HydrophobicContact CD1-CD2 4.41Å; F221-L241 HydrophobicContact CD1-CG 4.31Å; F221-L241 HydrophobicContact CG-CD1 4.36Å; F222-L241 WeakPolarHBondContact O-CA 3.39Å; I223-L241 HydrophobicContact CD1-CB 4.43Å; I223-L241 HydrophobicContact CD1-CD1 3.6Å; L241-A262 HydrophobicContact CD2-CB 3.96Å; L241-F266 HydrophobicContact CB-CB 3.97Å; L241-F266 HydrophobicContact CB-CD1 3.49Å; L241-F266 VanDerWaalsContact CB-CD1 3.49Å; L241-F266 HydrophobicContact CB-CE1 4.1Å; L241-F266 HydrophobicContact CB-CG 3.8Å; L241-F266 HydrophobicContact CD2-CB 3.88Å; L241-F266 HydrophobicContact CD2-CG 4.26Å; L241-I282 HydrophobicContact CD1-CG2 4.15Å; L241-I282 HydrophobicContact CD2-CD1 4.06Å; L241-I282 HydrophobicContact CD2-CG1 4.39Å; L241-I282 HydrophobicContact CD2-CG2 4.46Å
242L92.6Very high88.4Confident84 Ų8476.7 Ų76.744%0.4441%0.414SS..EExtended strand (participates in β ladder)trans-108.5149.5172.6-51.2175.4000108.7F221 F222F221-L242 CarbonylContact C-O 3.53Å; F221-L242 WeakPolarHBondContact CA-O 3.35Å; F222-L242 HydrophobicContact CB-CB 4.23Å; F222-L242 HydrophobicContact CD2-CB 4.44Å; F222-L242 PolarHBondContact N-O 2.9Å; F222-L242 PolarHBondContact O-N 3.24Å
243S89.2Confident87.2Confident72 Ų7282.4 Ų82.450%0.50343%0.428SS..EExtended strand (participates in β ladder)trans-126.6143.9175.863.50000110.8C220C220-S243 WeakPolarHBondContact O-CA 3.48Å
244K87.8Confident85.6Confident143 Ų14387.7 Ų87.762%0.62246%0.461SS*.EExtended strand (participates in β ladder)trans-121.799.1169.1-178.2179.6-180-178.20107C220 F222C220-K244 HydrophobicContact CB-CB 4.47Å; C220-K244 PolarHBondContact N-O 2.98Å; C220-K244 PolarHBondContact O-N 3.45Å; F222-K244 HydrophobicContact CE2-CB 3.77Å
245I82.5Confident84Confident56 Ų5689.6 Ų89.629%0.28747%0.471SS..  trans-115133.8-179.4-58.6172.1000107.6A249 L250I245-A249 HydrophobicContact CG2-CB 3.99Å; I245-L250 HydrophobicContact CB-CD2 4.03Å; I245-L250 HydrophobicContact CB-CG 4.19Å; I245-L250 HydrophobicContact CD1-CD2 4.23Å; I245-L250 HydrophobicContact CG2-CD2 3.82Å; I245-L250 HydrophobicContact CG2-CG 3.87Å
246P83.3Confident82.2Confident55 Ų5597.1 Ų97.136%0.35750%0.504SS..  trans-61.8138.3178.7-21.534.7000111.1G218 K248 A249 L250G218-P246 WeakPolarHBondContact O-CD 3.37Å; G218-P246 VanDerWaalsContact O-CG 3.29Å; G218-P246 WeakPolarHBondContact O-CG 3.26Å; P246-K248 PolarHBondContact O-N 3.2Å; P246-K248 VanDerWaalsContact O-N 3.12Å; P246-A249 WeakPolarHBondContact O-CA 3.47Å; P246-A249 WeakPolarHBondContact O-CB 3.31Å; P246-A249 PolarHBondContact O-N 3.14Å; P246-L250 PolarHBondContact O-N 3.28Å; P246-L250 VanDerWaalsContact O-N 3.17Å
247E80.9Confident80.4Confident158 Ų15897.9 Ų97.974%0.73851%0.51SS*.Hα-helixtrans-54.6-37.3-177.6-68-179.917500113.1A249 L250 Q251E247-A249 VanDerWaalsContact C-N 3.26Å; E247-A249 PolarHBondContact O-N 2.88Å; E247-L250 PolarHBondContact O-N 3.47Å; E247-Q251 WeakPolarHBondContact O-CG 3.41Å; E247-Q251 PolarHBondContact O-N 3.19Å; E247-Q251 VanDerWaalsContact O-N 3.12Å
248K80.7Confident78.2Confident174 Ų174100.7 Ų100.776%0.75754%0.538SS*.Hα-helixtrans-60.9-34.8176.3-64.3-177.9-178.2178.70112.7P246P246-K248 PolarHBondContact O-N 3.2Å; P246-K248 VanDerWaalsContact O-N 3.12Å
249A77Confident76.2Confident28 Ų2899.3 Ų99.323%0.23155%0.551CS.*Hα-helixtrans-75.9-36.517700000111.3I245 P246 E247 Q251 L252 F253I245-A249 HydrophobicContact CG2-CB 3.99Å; P246-A249 WeakPolarHBondContact O-CA 3.47Å; P246-A249 WeakPolarHBondContact O-CB 3.31Å; P246-A249 PolarHBondContact O-N 3.14Å; E247-A249 VanDerWaalsContact C-N 3.26Å; E247-A249 PolarHBondContact O-N 2.88Å; A249-Q251 VanDerWaalsContact C-N 3.27Å; A249-Q251 PolarHBondContact O-N 3.13Å; A249-L252 WeakPolarHBondContact O-CB 3.35Å; A249-L252 PolarHBondContact O-N 3.49Å; A249-L252 VanDerWaalsContact O-N 3.09Å; A249-F253 WeakPolarHBondContact O-CD2 3.34Å
250L76.1Confident74.5Confident92 Ų92101.4 Ų101.448%0.48258%0.577SS.*Hα-helixtrans-61.8-34.6175.1-68.2173.9000112.4I245 P246 E247 L252 F253I245-L250 HydrophobicContact CB-CD2 4.03Å; I245-L250 HydrophobicContact CB-CG 4.19Å; I245-L250 HydrophobicContact CD1-CD2 4.23Å; I245-L250 HydrophobicContact CG2-CD2 3.82Å; I245-L250 HydrophobicContact CG2-CG 3.87Å; P246-L250 PolarHBondContact O-N 3.28Å; P246-L250 VanDerWaalsContact O-N 3.17Å; E247-L250 PolarHBondContact O-N 3.47Å; L250-L252 PolarHBondContact O-N 3.08Å; L250-F253 CarbonylContact O-C 3.51Å; L250-F253 PolarHBondContact O-N 3.18Å
251Q78.7Confident73.7Confident153 Ų15398.5 Ų98.572%0.71557%0.569SS**THydrogen-bonded Turntrans-63.2-22.2175.9-70175.37.600113.6E247 A249 F253E247-Q251 WeakPolarHBondContact O-CG 3.41Å; E247-Q251 PolarHBondContact O-N 3.19Å; E247-Q251 VanDerWaalsContact O-N 3.12Å; A249-Q251 VanDerWaalsContact C-N 3.27Å; A249-Q251 PolarHBondContact O-N 3.13Å; Q251-F253 VanDerWaalsContact C-N 3.29Å
252L76.3Confident73.2Confident129 Ų129100.3 Ų100.368%0.67559%0.586SS**THydrogen-bonded Turntrans-77.7-15.9176.4-58.6173.1000112.5A249 L250 P254A249-L252 WeakPolarHBondContact O-CB 3.35Å; A249-L252 PolarHBondContact O-N 3.49Å; A249-L252 VanDerWaalsContact O-N 3.09Å; L250-L252 PolarHBondContact O-N 3.08Å; L252-P254 VanDerWaalsContact C-CD 3.48Å; L252-P254 WeakPolarHBondContact O-CD 3.45Å
253F71Confident73Confident158 Ų15898.6 Ų98.669%0.69358%0.583SS**  trans-123.474.1-179.2-57.5-75.4000110.7A249 L250 Q251 S255A249-F253 WeakPolarHBondContact O-CD2 3.34Å; L250-F253 CarbonylContact O-C 3.51Å; L250-F253 PolarHBondContact O-N 3.18Å; Q251-F253 VanDerWaalsContact C-N 3.29Å; F253-S255 PolarHBondContact O-N 2.92Å
254P61.3Low73Confident124 Ų12496.2 Ų96.281%0.80557%0.57SS**  trans-68.6-15.7-171.824.9-33.4000114.7L252L252-P254 VanDerWaalsContact C-CD 3.48Å; L252-P254 WeakPolarHBondContact O-CD 3.45Å
255S63.1Low73.1Confident96 Ų9692 Ų9267%0.67156%0.562SS**SBendtrans-99.7114.9177.849.60000111.2F253F253-S255 PolarHBondContact O-N 2.92Å
256Q58.5Low73.6Confident184 Ų18489.3 Ų89.386%0.8655%0.548SS*.PPolyproline II helixtrans-66.8135.4165.3-81.3-172.6-16.200109.8A258Q256-A258 PolarHBondContact O-N 3.14Å
257P55.8Low74.2Confident89 Ų8991 Ų9158%0.57855%0.552SS**PPolyproline II helixtrans-58138.3175.4-19.729.4000111G259P257-G259 PolarHBondContact O-N 2.97Å
258A46.8Very low74.8Confident114 Ų11486.6 Ų86.694%0.94254%0.538SS*.THydrogen-bonded Turntrans-59.3121.3170.100000109.2Q256Q256-A258 PolarHBondContact O-N 3.14Å
259G51.4Low75.4Confident67 Ų6780.6 Ų80.669%0.69151%0.514SS*.THydrogen-bonded Turntrans113.418.2179.800000116.9P257P257-G259 PolarHBondContact O-N 2.97Å
260G61.3Low76.3Confident60 Ų6080.6 Ų80.662%0.61951%0.51SS*.THydrogen-bonded Turntrans86.424.717000000114.9G264G260-G264 PolarHBondContact O-N 3.48Å
261G79.3Confident77.2Confident23 Ų2387 Ų8724%0.23753%0.528CS..Hα-helixtrans64-160.8176.300000114.2A263 G264 A265G261-A263 VanDerWaalsContact C-N 3.27Å; G261-A263 PolarHBondContact O-N 2.88Å; G261-G264 PolarHBondContact O-N 3.23Å; G261-A265 PolarHBondContact O-N 3.17Å; G261-A265 VanDerWaalsContact O-N 3.13Å
262A83.6Confident78Confident48 Ų4886.1 Ų86.140%0.39753%0.526SS..Hα-helixtrans-58.1-36.9-177.800000113F221 L241 A265 F266F221-A262 HydrophobicContact CE1-CB 4.35Å; L241-A262 HydrophobicContact CD2-CB 3.96Å; A262-A265 PolarHBondContact O-N 3.29Å; A262-F266 WeakPolarHBondContact O-CB 3.36Å; A262-F266 PolarHBondContact O-N 3.01Å
263A89.1Confident78.9Confident47 Ų4784 Ų8439%0.38852%0.515SS..Hα-helixtrans-64.2-4417800000112.4G261 F266 Q267G261-A263 VanDerWaalsContact C-N 3.27Å; G261-A263 PolarHBondContact O-N 2.88Å; A263-F266 PolarHBondContact O-N 3.14Å; A263-Q267 WeakPolarHBondContact O-CG 3.14Å; A263-Q267 PolarHBondContact O-N 3.32Å
264G89.3Confident80.1Confident22 Ų2277.9 Ų77.923%0.22750%0.497CS..Hα-helixtrans-66.2-40.817700000113G260 G261 F266 Q267 S268G260-G264 PolarHBondContact O-N 3.48Å; G261-G264 PolarHBondContact O-N 3.23Å; G264-F266 VanDerWaalsContact C-N 3.34Å; G264-F266 PolarHBondContact O-N 3.29Å; G264-Q267 PolarHBondContact O-N 3.32Å; G264-S268 PolarHBondContact O-N 3.16Å; G264-S268 VanDerWaalsContact O-N 3.17Å; G264-S268 PolarHBondContact O-OG 2.86Å; G264-S268 VanDerWaalsContact O-OG 3.14Å
265A89.6Confident81.7Confident54 Ų5474.2 Ų74.245%0.44647%0.472SS..Hα-helixtrans-61.2-43.4173.200000111.4G261 A262 Q267 S268 L269G261-A265 PolarHBondContact O-N 3.17Å; G261-A265 VanDerWaalsContact O-N 3.13Å; A262-A265 PolarHBondContact O-N 3.29Å; A265-Q267 PolarHBondContact O-N 3.38Å; A265-S268 WeakPolarHBondContact O-CB 3.36Å; A265-S268 PolarHBondContact O-N 2.79Å; A265-S268 VanDerWaalsContact O-N 3.14Å; A265-L269 WeakPolarHBondContact O-CG 3.34Å; A265-L269 PolarHBondContact O-N 3.25Å
266F93.8Very high83.3Confident0 Ų075 Ų750%047%0.465CS..Hα-helixtrans-62.1-42.3177.4-179.3-114.8000112.9I223 I239 L241 A262 A263 G264 S268 L269 L270 A278 I279 I282I223-F266 HydrophobicContact CD1-CE1 4.23Å; I223-F266 HydrophobicContact CD1-CE2 4.17Å; I223-F266 HydrophobicContact CD1-CZ 3.82Å; I239-F266 HydrophobicContact CG2-CE1 3.87Å; I239-F266 HydrophobicContact CG2-CZ 3.93Å; L241-F266 HydrophobicContact CB-CB 3.97Å; L241-F266 HydrophobicContact CB-CD1 3.49Å; L241-F266 VanDerWaalsContact CB-CD1 3.49Å; L241-F266 HydrophobicContact CB-CE1 4.1Å; L241-F266 HydrophobicContact CB-CG 3.8Å; L241-F266 HydrophobicContact CD2-CB 3.88Å; L241-F266 HydrophobicContact CD2-CG 4.26Å; A262-F266 WeakPolarHBondContact O-CB 3.36Å; A262-F266 PolarHBondContact O-N 3.01Å; A263-F266 PolarHBondContact O-N 3.14Å; G264-F266 VanDerWaalsContact C-N 3.34Å; G264-F266 PolarHBondContact O-N 3.29Å; F266-S268 PolarHBondContact O-N 3.09Å; F266-L269 PolarHBondContact O-N 3.1Å; F266-L269 VanDerWaalsContact O-N 3.14Å; F266-L270 HydrophobicContact CD1-CD1 3.91Å; F266-L270 HydrophobicContact CD1-CG 4.35Å; F266-L270 HydrophobicContact CE1-CD1 3.53Å; F266-L270 HydrophobicContact CE1-CD2 4.36Å; F266-L270 HydrophobicContact CE1-CG 4Å; F266-L270 HydrophobicContact CE2-CD2 4.33Å; F266-L270 HydrophobicContact CE2-CG 4.24Å; F266-L270 HydrophobicContact CZ-CD1 3.95Å; F266-L270 HydrophobicContact CZ-CD2 3.91Å; F266-L270 HydrophobicContact CZ-CG 3.93Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 2.87Å; F266-A278 HydrophobicContact CD2-CB 4.44Å; F266-A278 HydrophobicContact CE2-CB 4.01Å; F266-I279 HydrophobicContact CE2-CG1 4.19Å; F266-I279 HydrophobicContact CZ-CG1 4.1Å; F266-I282 HydrophobicContact CB-CD1 4.38Å; F266-I282 HydrophobicContact CD2-CD1 4.02Å; F266-I282 HydrophobicContact CD2-CG1 3.51Å; F266-I282 HydrophobicContact CE2-CG1 3.97Å; F266-I282 HydrophobicContact CG-CG1 4.4Å
267Q94.6Very high85.1Confident92 Ų9268.2 Ų68.243%0.4344%0.441SS..Hα-helixtrans-60.5-36174.1-69.3-57.2-41.700112.5I239 A263 G264 A265 R271I239-Q267 PolarHBondContact O-NE2 3.39Å; A263-Q267 WeakPolarHBondContact O-CG 3.14Å; A263-Q267 PolarHBondContact O-N 3.32Å; G264-Q267 PolarHBondContact O-N 3.32Å; A265-Q267 PolarHBondContact O-N 3.38Å; Q267-R271 PolarHBondContact O-N 3.07Å
268S93.6Very high87.1Confident65 Ų6564 Ų6446%0.45541%0.413SS..Hα-helixtrans-67-42.6175-56.90000111.3G264 A265 F266 R271 I272G264-S268 PolarHBondContact O-N 3.16Å; G264-S268 VanDerWaalsContact O-N 3.17Å; G264-S268 PolarHBondContact O-OG 2.86Å; G264-S268 VanDerWaalsContact O-OG 3.14Å; A265-S268 WeakPolarHBondContact O-CB 3.36Å; A265-S268 PolarHBondContact O-N 2.79Å; A265-S268 VanDerWaalsContact O-N 3.14Å; F266-S268 PolarHBondContact O-N 3.09Å; S268-R271 PolarHBondContact O-N 2.96Å; S268-I272 WeakPolarHBondContact O-CD1 3.44Å; S268-I272 VanDerWaalsContact O-CG1 3.26Å; S268-I272 WeakPolarHBondContact O-CG1 3.37Å; S268-I272 PolarHBondContact O-N 3.27Å; S268-I272 VanDerWaalsContact O-N 3.08Å
269L94.6Very high89.4Confident48 Ų4858.6 Ų58.625%0.25137%0.368SS..Hα-helixtrans-63-43.4175.8-67.4170000111.9A265 F266 R271 I272 L273 A278 I282A265-L269 WeakPolarHBondContact O-CG 3.34Å; A265-L269 PolarHBondContact O-N 3.25Å; F266-L269 PolarHBondContact O-N 3.1Å; F266-L269 VanDerWaalsContact O-N 3.14Å; L269-R271 PolarHBondContact O-N 3.13Å; L269-I272 PolarHBondContact O-N 3.33Å; L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 HydrophobicContact CD2-CD1 3.6Å; L269-L273 HydrophobicContact CD2-CG 4.37Å; L269-L273 WeakPolarHBondContact O-CB 3.31Å; L269-L273 PolarHBondContact O-N 3.3Å; L269-A278 HydrophobicContact CB-CB 3.73Å; L269-I282 HydrophobicContact CD1-CD1 4.37Å
270L95.3Very high91.6Very high28 Ų2856.9 Ų56.915%0.14734%0.343CS..Hα-helixtrans-55.6-41.6175.9-76.3172.9000111.7I239 F266 G274 A278I239-L270 HydrophobicContact CB-CD1 3.95Å; I239-L270 HydrophobicContact CB-CD2 4.46Å; I239-L270 HydrophobicContact CD1-CD2 4.21Å; I239-L270 HydrophobicContact CG2-CD1 4.41Å; F266-L270 HydrophobicContact CD1-CD1 3.91Å; F266-L270 HydrophobicContact CD1-CG 4.35Å; F266-L270 HydrophobicContact CE1-CD1 3.53Å; F266-L270 HydrophobicContact CE1-CD2 4.36Å; F266-L270 HydrophobicContact CE1-CG 4Å; F266-L270 HydrophobicContact CE2-CD2 4.33Å; F266-L270 HydrophobicContact CE2-CG 4.24Å; F266-L270 HydrophobicContact CZ-CD1 3.95Å; F266-L270 HydrophobicContact CZ-CD2 3.91Å; F266-L270 HydrophobicContact CZ-CG 3.93Å; F266-L270 WeakPolarHBondContact O-CG 3.45Å; F266-L270 PolarHBondContact O-N 2.87Å; L270-G274 VanDerWaalsContact O-CA 3.31Å; L270-G274 WeakPolarHBondContact O-CA 3.23Å; L270-G274 PolarHBondContact O-N 3.38Å; L270-G274 VanDerWaalsContact O-N 3.16Å; L270-A278 HydrophobicContact CD2-CB 3.84Å; L270-A278 HydrophobicContact CG-CB 4.12Å
271R94.4Very high93.2Very high227 Ų22756.1 Ų56.186%0.85733%0.328SS*.Hα-helixtrans-71.5-34.9179.8-172.6176.7-179.5175.51.3113.4Q267 S268 L269Q267-R271 PolarHBondContact O-N 3.07Å; S268-R271 PolarHBondContact O-N 2.96Å; L269-R271 PolarHBondContact O-N 3.13Å
272I96.1Very high93.9Very high133 Ų13356 Ų5668%0.68232%0.321SS*.Hα-helixtrans-89.4-45.3-173.3-63.7166.4000111.4S268 L269S268-I272 WeakPolarHBondContact O-CD1 3.44Å; S268-I272 VanDerWaalsContact O-CG1 3.26Å; S268-I272 WeakPolarHBondContact O-CG1 3.37Å; S268-I272 PolarHBondContact O-N 3.27Å; S268-I272 VanDerWaalsContact O-N 3.08Å; L269-I272 PolarHBondContact O-N 3.33Å
273L95.5Very high94.4Very high86 Ų8653.7 Ų53.745%0.4530%0.302SS..Hα-helixtrans-103.1-18.5-169.9-55.1179000113.1L269 A277L269-L273 HydrophobicContact CB-CD1 4.43Å; L269-L273 HydrophobicContact CD2-CD1 3.6Å; L269-L273 HydrophobicContact CD2-CG 4.37Å; L269-L273 WeakPolarHBondContact O-CB 3.31Å; L269-L273 PolarHBondContact O-N 3.3Å; L273-A277 HydrophobicContact CB-CB 3.75Å; L273-A277 HydrophobicContact CD1-CB 4.48Å
274G95.3Very high94.5Very high29 Ų2958.7 Ų58.730%0.29931%0.311SS..  trans80.5176.7-168.300000112.8L270 A278L270-G274 VanDerWaalsContact O-CA 3.31Å; L270-G274 WeakPolarHBondContact O-CA 3.23Å; L270-G274 PolarHBondContact O-N 3.38Å; L270-G274 VanDerWaalsContact O-N 3.16Å; G274-A278 WeakPolarHBondContact O-CB 3.46Å; G274-A278 PolarHBondContact O-N 3.14Å; G274-A278 VanDerWaalsContact O-N 3.07Å
275T95.3Very high94.5Very high47 Ų4760.5 Ų60.529%0.28832%0.324SS..Hα-helixtrans-59.3-57.5-167.6-56.30000114.4W225 I239 A278 I279W225-T275 HydrophobicContact CE3-CG2 4.14Å; W225-T275 HydrophobicContact CH2-CG2 3.44Å; W225-T275 VanDerWaalsContact CH2-CG2 3.44Å; W225-T275 HydrophobicContact CZ2-CG2 4.18Å; W225-T275 HydrophobicContact CZ3-CG2 3.39Å; I239-T275 HydrophobicContact CD1-CG2 3.5Å; I239-T275 VanDerWaalsContact CD1-CG2 3.5Å; T275-A278 PolarHBondContact O-N 3.24Å; T275-I279 HydrophobicContact CG2-CD1 3.84Å; T275-I279 WeakPolarHBondContact O-CG1 3.39Å; T275-I279 PolarHBondContact O-N 3.42Å
276E95.9Very high94.5Very high111 Ų11158.8 Ų58.852%0.51931%0.308SS..Hα-helixtrans-64.3-49.1-172.1-64.7-175.1165.800111.3T186 F190 A278 I279 E280T186-E276 HydrophobicContact CG2-CG 4.14Å; F190-E276 HydrophobicContact CZ-CB 4.37Å; F190-E276 VanDerWaalsContact CZ-O 3.31Å; F190-E276 WeakPolarHBondContact CZ-O 3.38Å; E276-A278 VanDerWaalsContact C-N 3.33Å; E276-A278 PolarHBondContact O-N 3.02Å; E276-I279 PolarHBondContact O-N 2.97Å; E276-E280 WeakPolarHBondContact O-CB 3.47Å; E276-E280 PolarHBondContact O-N 3.47Å
277A96.5Very high94Very high43 Ų4361 Ų6136%0.35532%0.323SS..Hα-helixtrans-65.5-34.2-179.700000112.8L273 S281L273-A277 HydrophobicContact CB-CB 3.75Å; L273-A277 HydrophobicContact CD1-CB 4.48Å; A277-S281 WeakPolarHBondContact O-CB 3.44Å; A277-S281 PolarHBondContact O-N 3.11Å; A277-S281 PolarHBondContact O-OG 3.02Å
278A97.1Very high93.3Very high0 Ų062 Ų620%033%0.331CS..Hα-helixtrans-66.2-45.6173.800000111.8F266 L269 L270 G274 T275 E276 S281 I282F266-A278 HydrophobicContact CD2-CB 4.44Å; F266-A278 HydrophobicContact CE2-CB 4.01Å; L269-A278 HydrophobicContact CB-CB 3.73Å; L270-A278 HydrophobicContact CD2-CB 3.84Å; L270-A278 HydrophobicContact CG-CB 4.12Å; G274-A278 WeakPolarHBondContact O-CB 3.46Å; G274-A278 PolarHBondContact O-N 3.14Å; G274-A278 VanDerWaalsContact O-N 3.07Å; T275-A278 PolarHBondContact O-N 3.24Å; E276-A278 VanDerWaalsContact C-N 3.33Å; E276-A278 PolarHBondContact O-N 3.02Å; A278-S281 WeakPolarHBondContact O-CB 3.3Å; A278-S281 PolarHBondContact O-N 2.87Å; A278-I282 PolarHBondContact O-N 3.13Å
279I96.7Very high91.6Very high0 Ų061.1 Ų61.10%033%0.325CS..Hα-helixtrans-63.6-45.5177.2-68.2172.1000110.4T186 F190 M209 I223 W225 F266 T275 E276 S281 I282 I283T186-I279 HydrophobicContact CG2-CD1 4.18Å; F190-I279 HydrophobicContact CD2-CB 4.39Å; F190-I279 HydrophobicContact CD2-CG2 3.59Å; F190-I279 HydrophobicContact CE2-CB 3.73Å; F190-I279 HydrophobicContact CE2-CD1 4.4Å; F190-I279 HydrophobicContact CE2-CG2 3.42Å; F190-I279 VanDerWaalsContact CE2-CG2 3.42Å; F190-I279 HydrophobicContact CG-CG2 4.3Å; F190-I279 HydrophobicContact CZ-CB 4.17Å; F190-I279 HydrophobicContact CZ-CG2 4.03Å; M209-I279 HydrophobicContact CE-CG2 3.5Å; M209-I279 VanDerWaalsContact CE-CG2 3.5Å; I223-I279 HydrophobicContact CG2-CD1 4.25Å; I223-I279 HydrophobicContact CG2-CG1 4.49Å; W225-I279 HydrophobicContact CE3-CD1 4.37Å; W225-I279 HydrophobicContact CZ3-CD1 4.29Å; F266-I279 HydrophobicContact CE2-CG1 4.19Å; F266-I279 HydrophobicContact CZ-CG1 4.1Å; T275-I279 HydrophobicContact CG2-CD1 3.84Å; T275-I279 WeakPolarHBondContact O-CG1 3.39Å; T275-I279 PolarHBondContact O-N 3.42Å; E276-I279 PolarHBondContact O-N 2.97Å; I279-S281 PolarHBondContact O-N 3.21Å; I279-I282 PolarHBondContact O-N 2.87Å; I279-I282 VanDerWaalsContact O-N 3.1Å; I279-I283 HydrophobicContact CG2-CD1 3.83Å; I279-I283 HydrophobicContact CG2-CG1 4.36Å; I279-I283 WeakPolarHBondContact O-CG1 3.24Å; I279-I283 PolarHBondContact O-N 2.88Å
280E96.6Very high89.5Confident32 Ų3267.7 Ų67.715%0.1535%0.354CS..Hα-helixtrans-60.1-37.2178-175.3164.3169.500111.8F190 K193 F194 E276 I282 I283 R284F190-E280 HydrophobicContact CE1-CB 3.79Å; F190-E280 HydrophobicContact CE1-CG 4.32Å; F190-E280 HydrophobicContact CZ-CB 3.99Å; K193-E280 IonicContact NZ-OE1 2.97Å; K193-E280 PolarHBondContact NZ-OE1 2.94Å; K193-E280 IonicContact NZ-OE2 3.1Å; K193-E280 PolarHBondContact NZ-OE2 2.73Å; F194-E280 HydrophobicContact CE2-CG 4.34Å; F194-E280 HydrophobicContact CZ-CG 4.32Å; E276-E280 WeakPolarHBondContact O-CB 3.47Å; E276-E280 PolarHBondContact O-N 3.47Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.43Å; E280-I283 PolarHBondContact O-N 3.21Å; E280-R284 HydrophobicContact CG-CG 4.33Å; E280-R284 WeakPolarHBondContact O-CB 3.43Å; E280-R284 WeakPolarHBondContact O-CG 3.43Å; E280-R284 PolarHBondContact O-N 3.14Å; E280-R284 IonicContact OE1-CZ 2.78Å; E280-R284 IonicContact OE1-NE 3.82Å; E280-R284 PolarHBondContact OE1-NE 3.22Å; E280-R284 VanDerWaalsContact OE1-NE 3.1Å; E280-R284 IonicContact OE1-NH2 3.25Å; E280-R284 PolarHBondContact OE1-NH2 3.38Å
281S94.9Very high87.1Confident43 Ų4370.4 Ų70.430%0.30138%0.376SS..Hα-helixtrans-61.2-40.7176.4-60.60000111.9A277 A278 I279 A285A277-S281 WeakPolarHBondContact O-CB 3.44Å; A277-S281 PolarHBondContact O-N 3.11Å; A277-S281 PolarHBondContact O-OG 3.02Å; A278-S281 WeakPolarHBondContact O-CB 3.3Å; A278-S281 PolarHBondContact O-N 2.87Å; I279-S281 PolarHBondContact O-N 3.21Å; S281-A285 WeakPolarHBondContact O-CB 3.48Å; S281-A285 PolarHBondContact O-N 2.87Å
282I93.6Very high84.7Confident21 Ų2164.8 Ų64.811%0.10836%0.363CS..Hα-helixtrans-68-44.9175-59.1-57.2000110.7L211 L241 F266 L269 A278 I279 E280 R284 A285 V286L211-I282 HydrophobicContact CD1-CB 4.47Å; L211-I282 HydrophobicContact CD1-CG2 3.7Å; L241-I282 HydrophobicContact CD1-CG2 4.15Å; L241-I282 HydrophobicContact CD2-CD1 4.06Å; L241-I282 HydrophobicContact CD2-CG1 4.39Å; L241-I282 HydrophobicContact CD2-CG2 4.46Å; F266-I282 HydrophobicContact CB-CD1 4.38Å; F266-I282 HydrophobicContact CD2-CD1 4.02Å; F266-I282 HydrophobicContact CD2-CG1 3.51Å; F266-I282 HydrophobicContact CE2-CG1 3.97Å; F266-I282 HydrophobicContact CG-CG1 4.4Å; L269-I282 HydrophobicContact CD1-CD1 4.37Å; A278-I282 PolarHBondContact O-N 3.13Å; I279-I282 PolarHBondContact O-N 2.87Å; I279-I282 VanDerWaalsContact O-N 3.1Å; E280-I282 VanDerWaalsContact C-N 3.32Å; E280-I282 PolarHBondContact O-N 3.43Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.02Å; I282-A285 PolarHBondContact O-N 3.43Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I282-V286 HydrophobicContact CG2-CG2 4.32Å; I282-V286 WeakPolarHBondContact O-CG2 3.33Å; I282-V286 PolarHBondContact O-N 3.49Å
283I94.3Very high82.2Confident0 Ų067 Ų670%037%0.37CS..Hα-helixtrans-57.1-47.4178.1-66.9168000110.1F190 F194 I197 V198 L211 I279 E280 A285 V286 S287F190-I283 HydrophobicContact CB-CD1 3.86Å; F190-I283 HydrophobicContact CD1-CD1 3.48Å; F190-I283 VanDerWaalsContact CD1-CD1 3.48Å; F190-I283 HydrophobicContact CD2-CD1 4.25Å; F190-I283 HydrophobicContact CE1-CD1 4.07Å; F190-I283 HydrophobicContact CG-CD1 3.6Å; F194-I283 HydrophobicContact CB-CG2 3.97Å; F194-I283 HydrophobicContact CD1-CG2 3.93Å; F194-I283 HydrophobicContact CD2-CD1 4.04Å; F194-I283 HydrophobicContact CD2-CG2 3.66Å; F194-I283 HydrophobicContact CE1-CG2 4.28Å; F194-I283 HydrophobicContact CE2-CD1 4.39Å; F194-I283 HydrophobicContact CE2-CG2 4.01Å; F194-I283 HydrophobicContact CG-CG2 3.6Å; F194-I283 HydrophobicContact CZ-CG2 4.3Å; I197-I283 HydrophobicContact CG2-CG2 4.3Å; V198-I283 HydrophobicContact CG2-CD1 3.83Å; V198-I283 HydrophobicContact CG2-CG1 4.23Å; L211-I283 HydrophobicContact CD1-CG1 4.11Å; L211-I283 HydrophobicContact CD2-CD1 4.41Å; L211-I283 HydrophobicContact CD2-CG1 3.85Å; I279-I283 HydrophobicContact CG2-CD1 3.83Å; I279-I283 HydrophobicContact CG2-CG1 4.36Å; I279-I283 WeakPolarHBondContact O-CG1 3.24Å; I279-I283 PolarHBondContact O-N 2.88Å; E280-I283 PolarHBondContact O-N 3.21Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 2.78Å; I283-V286 PolarHBondContact O-N 3.02Å; I283-S287 PolarHBondContact O-N 3.1Å; I283-S287 PolarHBondContact O-OG 2.72Å
284R92.6Very high79.4Confident152 Ų15270.8 Ų70.857%0.57439%0.39SS*.Hα-helixtrans-60.4-43.7176.8-71.7178.5-177.1-143.35.2111.9E280 I282 V286 S287 L288E280-R284 HydrophobicContact CG-CG 4.33Å; E280-R284 WeakPolarHBondContact O-CB 3.43Å; E280-R284 WeakPolarHBondContact O-CG 3.43Å; E280-R284 PolarHBondContact O-N 3.14Å; E280-R284 IonicContact OE1-CZ 2.78Å; E280-R284 IonicContact OE1-NE 3.82Å; E280-R284 PolarHBondContact OE1-NE 3.22Å; E280-R284 VanDerWaalsContact OE1-NE 3.1Å; E280-R284 IonicContact OE1-NH2 3.25Å; E280-R284 PolarHBondContact OE1-NH2 3.38Å; I282-R284 VanDerWaalsContact C-N 3.3Å; I282-R284 PolarHBondContact O-N 3.02Å; R284-V286 VanDerWaalsContact C-N 3.3Å; R284-V286 PolarHBondContact O-N 2.9Å; R284-S287 PolarHBondContact O-N 3.45Å; R284-S287 VanDerWaalsContact O-N 3.12Å; R284-L288 WeakPolarHBondContact O-CG 3.48Å; R284-L288 PolarHBondContact O-N 3.12Å
285A89.4Confident76.8Confident60 Ų6073.4 Ų73.450%0.49640%0.404SS..Hα-helixtrans-62.6-36.8177.200000112.6S281 I282 I283 S287S281-A285 WeakPolarHBondContact O-CB 3.48Å; S281-A285 PolarHBondContact O-N 2.87Å; I282-A285 PolarHBondContact O-N 3.43Å; I282-A285 VanDerWaalsContact O-N 3.14Å; I283-A285 VanDerWaalsContact C-N 3.35Å; I283-A285 PolarHBondContact O-N 2.78Å; A285-S287 VanDerWaalsContact C-N 3.34Å
286V88Confident73.9Confident18 Ų1882.5 Ų82.511%0.10945%0.451CS..Hα-helixtrans-68.9-34.2174.1173.30000111.1I197 H213 F221 I282 I283 R284 L288I197-V286 HydrophobicContact CG2-CB 4.37Å; I197-V286 HydrophobicContact CG2-CG1 3.83Å; H213-V286 HydrophobicContact CB-CG1 4.21Å; H213-V286 PolarHBondContact CD2-O 2.94Å; F221-V286 HydrophobicContact CD2-CG2 3.67Å; F221-V286 HydrophobicContact CE2-CG2 3.97Å; I282-V286 HydrophobicContact CG2-CG2 4.32Å; I282-V286 WeakPolarHBondContact O-CG2 3.33Å; I282-V286 PolarHBondContact O-N 3.49Å; I283-V286 PolarHBondContact O-N 3.02Å; R284-V286 VanDerWaalsContact C-N 3.3Å; R284-V286 PolarHBondContact O-N 2.9Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 2.97Å
287S84.9Confident72.8Confident46 Ų4681.1 Ų81.132%0.32245%0.447SS..THydrogen-bonded Turntrans-77.5-8.7180-57.50000115.2I197 I283 R284 A285 S289I197-S287 WeakPolarHBondContact CG1-OG 3.47Å; I283-S287 PolarHBondContact O-N 3.1Å; I283-S287 PolarHBondContact O-OG 2.72Å; R284-S287 PolarHBondContact O-N 3.45Å; R284-S287 VanDerWaalsContact O-N 3.12Å; A285-S287 VanDerWaalsContact C-N 3.34Å; S287-S289 PolarHBondContact O-N 3.35Å
288L79.2Confident71.6Confident114 Ų11483.1 Ų83.160%0.59745%0.452SS*.  trans-67.1123-178.2-74.2169.4000110.3R284 V286R284-L288 WeakPolarHBondContact O-CG 3.48Å; R284-L288 PolarHBondContact O-N 3.12Å; V286-L288 VanDerWaalsContact C-N 3.33Å; V286-L288 PolarHBondContact O-N 2.97Å
289S58Low70.2Confident46 Ų4687.7 Ų87.732%0.32248%0.477SS..  trans-99.9150.616676.90000109.5S287 S291 D292S287-S289 PolarHBondContact O-N 3.35Å; S289-S291 PolarHBondContact O-N 2.87Å; S289-S291 PolarHBondContact OG-OG 3Å; S289-D292 PolarHBondContact O-N 3.31Å
290E50.9Low68.6Low185 Ų18592.9 Ų92.986%0.86451%0.505SS*.G310 helixtrans-55.6-11.4178.2-75.9-177.8156.800114D292E290-D292 VanDerWaalsContact C-N 3.31Å; E290-D292 PolarHBondContact O-N 3.37Å
291S43.4Very low66.9Low85 Ų8596.7 Ų96.759%0.59453%0.528SS*.G310 helixtrans-67.7-23-178.9-33.30000114.7S289S289-S291 PolarHBondContact O-N 2.87Å; S289-S291 PolarHBondContact OG-OG 3Å
292D45.7Very low65Low110 Ų110100.3 Ų100.359%0.58854%0.543SS*.G310 helixtrans-88.2-5.9-174.4-77.1-21.4000113.8S289 E290S289-D292 PolarHBondContact O-N 3.31Å; E290-D292 VanDerWaalsContact C-N 3.31Å; E290-D292 PolarHBondContact O-N 3.37Å
293E43.3Very low62.9Low179 Ų179105.9 Ų105.984%0.83657%0.574SS**G310 helixtrans-90-6.8178-68.6-163.6162.900114.1
294L37.2Very low60.5Low165 Ų165114.1 Ų114.186%0.86462%0.618SS**SBendtrans-10311.3-178-74.8169000114.7
295S39.1Very low57.9Low84 Ų84110.9 Ų110.959%0.58762%0.622SS**  trans-121.455.6177.449.80000112.1
296N35.4Very low55Low239 Ų239115.5 Ų115.5100%1.27863%0.633SS**  trans-146.60154.4-91-36.9000111

Retrieved 296 of 296 residues in 164 ms (Link to these results)