A0A077ZHE0_TRITR Loading...

Integrase catalytic domain-containing protein

AlphaFold DB , UniProt , Accession A0A077ZHE0, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 343 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
1M63.4Low87.9Confident196 Ų19686.9 Ų86.997%0.96647%0.467SS*.  0121.30-76.3176.2176.400107.9V3M1-V3 PolarHBondContact O-N 3Å
2N84.2Confident87.9Confident119 Ų11984.3 Ų84.364%0.63646%0.457SS*.  trans-79116.4175.9-73.4-6.7000108.4L53 N54N2-L53 HydrophobicContact CB-CD2 3.86Å; N2-N54 PolarHBondContact O-N 2.98Å
3V88Confident88Confident94 Ų9481.5 Ų81.557%0.5744%0.444SS*.EExtended strand (participates in β ladder)trans-80.6120.9171.4-176.30000107.1M1 N54M1-V3 PolarHBondContact O-N 3Å; V3-N54 CarbonylContact C-O 3.52Å; V3-N54 WeakPolarHBondContact CA-O 3.43Å; V3-N54 HydrophobicContact CG2-CB 4.21Å
4I92Very high88.2Confident73 Ų7379.1 Ų79.137%0.37443%0.428SS..EExtended strand (participates in β ladder)trans-113.2124.6176.1-60.3-171.3000108.2L53 N54 L55 K56I4-L53 HydrophobicContact CD1-CD1 3.79Å; I4-L53 HydrophobicContact CD1-CD2 3.81Å; I4-L53 HydrophobicContact CD1-CG 4.28Å; I4-L53 HydrophobicContact CG1-CD2 4.29Å; I4-N54 PolarHBondContact N-O 3.35Å; I4-L55 HydrophobicContact CB-CD1 4.26Å; I4-L55 HydrophobicContact CG2-CD1 4.1Å; I4-L55 WeakPolarHBondContact O-CA 3.38Å; I4-K56 PolarHBondContact O-N 3.42Å
5E92.8Very high88.2Confident94 Ų9482.1 Ų82.144%0.43943%0.431SS..EExtended strand (participates in β ladder)trans-95.5112.3171-60.5-162.4142.100109.5K56E5-K56 CarbonylContact C-O 3.37Å; E5-K56 WeakPolarHBondContact CA-O 3.35Å; E5-K56 HydrophobicContact CG-CD 4.47Å; E5-K56 IonicContact OE1-NZ 2.68Å; E5-K56 PolarHBondContact OE1-NZ 3.23Å
6L91.7Very high88.2Confident67 Ų6781.1 Ų81.135%0.35142%0.42SS..EExtended strand (participates in β ladder)trans-92.8124.4171.4179.862.5000108.5I17 L55 K56 I57 L58L6-I17 HydrophobicContact CD2-CD1 3.66Å; L6-L55 HydrophobicContact CB-CD1 3.79Å; L6-K56 PolarHBondContact N-O 3.39Å; L6-I57 HydrophobicContact CB-CD1 3.88Å; L6-I57 HydrophobicContact CD2-CD1 3.76Å; L6-I57 HydrophobicContact CG-CD1 3.61Å; L6-I57 CarbonylContact O-C 3.46Å; L6-I57 WeakPolarHBondContact O-CA 3.32Å; L6-I57 VanDerWaalsContact O-CD1 3.3Å; L6-I57 WeakPolarHBondContact O-CD1 3.46Å; L6-L58 PolarHBondContact O-N 3.19Å
7M91.6Very high88.3Confident118 Ų11877.3 Ų77.358%0.58140%0.4SS*.EExtended strand (participates in β ladder)trans-107132.6178.3-63.5-179.1-176.400109.4L58 V60M7-L58 HydrophobicContact CE-CD1 4.36Å; M7-L58 HydrophobicContact CG-CB 4.39Å; M7-V60 HydrophobicContact CB-CG2 3.9Å; M7-V60 HydrophobicContact CG-CG2 4.25Å; M7-V60 HydrophobicContact SD-CG2 4.34Å
8T92.8Very high88.4Confident18 Ų1874.4 Ų74.411%0.1139%0.388CS..EExtended strand (participates in β ladder)trans-135.3143.4176.2178.60000109.2S10 H14 I57 L58 L59 V60T8-S10 PolarHBondContact OG1-N 3.13Å; T8-S10 PolarHBondContact OG1-O 3.03Å; T8-H14 HydrophobicContact CG2-CB 3.65Å; T8-I57 HydrophobicContact CG2-CD1 3.66Å; T8-I57 HydrophobicContact CG2-CG1 4.25Å; T8-L58 PolarHBondContact N-O 3.09Å; T8-L59 CarbonylContact O-C 3.57Å; T8-L59 WeakPolarHBondContact O-CA 3.33Å; T8-L59 WeakPolarHBondContact O-CD1 3.46Å; T8-V60 PolarHBondContact O-N 2.89Å
9D91.7Very high88.3Confident75 Ų7576.1 Ų76.140%0.40139%0.389SS..SBendtrans-89-2217159.7-8.1000112.5S11 V60 N65D9-S11 PolarHBondContact O-N 2.7Å; D9-V60 VanDerWaalsContact CA-O 3.29Å; D9-V60 WeakPolarHBondContact CA-O 3.27Å; D9-N65 HydrophobicContact CB-CB 4.33Å; D9-N65 PolarHBondContact OD2-ND2 3.21Å
10S89.2Confident88.1Confident41 Ų4173.1 Ų73.129%0.28738%0.378SS..  trans-76.9110.4174.7-177.60000111.5T8 T12 V13 H14T8-S10 PolarHBondContact OG1-N 3.13Å; T8-S10 PolarHBondContact OG1-O 3.03Å; S10-T12 PolarHBondContact O-N 3.01Å; S10-T12 PolarHBondContact OG-N 2.89Å; S10-V13 PolarHBondContact O-N 3.16Å; S10-V13 PolarHBondContact OG-N 3.39Å; S10-H14 WeakPolarHBondContact O-CB 3.37Å; S10-H14 PolarHBondContact O-N 2.93Å
11S89.2Confident87.9Confident61 Ų6172.4 Ų72.443%0.42737%0.374SS..Hα-helixtrans-57.9-28.9171.7620000112.8D9 R15D9-S11 PolarHBondContact O-N 2.7Å; S11-R15 WeakPolarHBondContact O-CB 3.5Å; S11-R15 PolarHBondContact O-N 3.26Å; S11-R15 VanDerWaalsContact O-N 3.08Å
12T87.7Confident88.8Confident55 Ų5566.1 Ų66.134%0.33735%0.35SS..Hα-helixtrans-75.2-44.2-179.8-57.40000110.7S10 R15 W16S10-T12 PolarHBondContact O-N 3.01Å; S10-T12 PolarHBondContact OG-N 2.89Å; T12-R15 PolarHBondContact O-N 3.06Å; T12-W16 HydrophobicContact CG2-CD2 4.05Å; T12-W16 VanDerWaalsContact CG2-CE2 3.45Å; T12-W16 HydrophobicContact CG2-CE3 4.41Å; T12-W16 HydrophobicContact CG2-CH2 3.7Å; T12-W16 HydrophobicContact CG2-CZ2 3.27Å; T12-W16 HydrophobicContact CG2-CZ3 4.25Å; T12-W16 VanDerWaalsContact O-CG 3.23Å; T12-W16 PolarHBondContact O-N 2.84Å
13V89.1Confident88.1Confident49 Ų4965.7 Ų65.730%0.29736%0.356SS..Hα-helixtrans-65.2-43174.41760000110.8S10 R15 W16 I17S10-V13 PolarHBondContact O-N 3.16Å; S10-V13 PolarHBondContact OG-N 3.39Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.01Å; V13-W16 HydrophobicContact CG2-CE3 4.2Å; V13-W16 HydrophobicContact CG2-CZ3 4.21Å; V13-W16 PolarHBondContact O-N 3.4Å; V13-W16 VanDerWaalsContact O-N 3.16Å; V13-I17 HydrophobicContact CG1-CD1 3.82Å; V13-I17 HydrophobicContact CG1-CG1 4.34Å; V13-I17 PolarHBondContact O-N 2.75Å
14H91.6Very high86.8Confident47 Ų4771.9 Ų71.922%0.21837%0.369CS..Hα-helixtrans-52.5-50174179-85.1000111.3T8 S10 W16 I17 S18 I57 L59T8-H14 HydrophobicContact CG2-CB 3.65Å; S10-H14 WeakPolarHBondContact O-CB 3.37Å; S10-H14 PolarHBondContact O-N 2.93Å; H14-W16 PolarHBondContact O-N 2.71Å; H14-I17 PolarHBondContact O-N 2.79Å; H14-S18 PolarHBondContact CE1-OG 3.33Å; H14-S18 VanDerWaalsContact CE1-OG 3.27Å; H14-S18 WeakPolarHBondContact O-CB 3.22Å; H14-S18 PolarHBondContact O-N 3.38Å; H14-S18 PolarHBondContact O-OG 2.89Å; H14-I57 PolarHBondContact NE2-O 2.99Å; H14-I57 VanDerWaalsContact NE2-O 3.14Å; H14-L59 HydrophobicContact CB-CB 4.33Å; H14-L59 HydrophobicContact CB-CD1 4.21Å; H14-L59 PolarHBondContact CD2-N 3.02Å
15R88.4Confident85.1Confident125 Ų12572.3 Ų72.347%0.47238%0.376SS..Hα-helixtrans-60.7-45.2178-175.9-178.3-67.2134.3-2.1112S11 T12 V13 S18 Y19S11-R15 WeakPolarHBondContact O-CB 3.5Å; S11-R15 PolarHBondContact O-N 3.26Å; S11-R15 VanDerWaalsContact O-N 3.08Å; T12-R15 PolarHBondContact O-N 3.06Å; V13-R15 VanDerWaalsContact C-N 3.3Å; V13-R15 PolarHBondContact O-N 3.01Å; R15-S18 PolarHBondContact O-N 2.78Å; R15-Y19 HydrophobicContact CG-CD2 3.71Å; R15-Y19 HydrophobicContact CG-CE1 4.32Å; R15-Y19 HydrophobicContact CG-CE2 3.29Å; R15-Y19 HydrophobicContact CG-CG 4.39Å; R15-Y19 WeakPolarHBondContact O-CB 3.41Å; R15-Y19 VanDerWaalsContact O-CG 3.25Å; R15-Y19 PolarHBondContact O-N 3.32Å
16W87.8Confident83.8Confident66 Ų6677.2 Ų77.225%0.2539%0.39CS..Hα-helixtrans-62.8-46.1-179.2-70-20.4000113.2T12 V13 H14 G20 L27 I29 I37 I41T12-W16 HydrophobicContact CG2-CD2 4.05Å; T12-W16 VanDerWaalsContact CG2-CE2 3.45Å; T12-W16 HydrophobicContact CG2-CE3 4.41Å; T12-W16 HydrophobicContact CG2-CH2 3.7Å; T12-W16 HydrophobicContact CG2-CZ2 3.27Å; T12-W16 HydrophobicContact CG2-CZ3 4.25Å; T12-W16 VanDerWaalsContact O-CG 3.23Å; T12-W16 PolarHBondContact O-N 2.84Å; V13-W16 HydrophobicContact CG2-CE3 4.2Å; V13-W16 HydrophobicContact CG2-CZ3 4.21Å; V13-W16 PolarHBondContact O-N 3.4Å; V13-W16 VanDerWaalsContact O-N 3.16Å; H14-W16 PolarHBondContact O-N 2.71Å; W16-G20 PolarHBondContact O-N 3.05Å; W16-L27 HydrophobicContact CB-CD2 4.46Å; W16-I29 HydrophobicContact CD2-CD1 4.5Å; W16-I29 HydrophobicContact CZ2-CD1 3.97Å; W16-I37 HydrophobicContact CD2-CG2 3.86Å; W16-I37 HydrophobicContact CE3-CG2 3.81Å; W16-I37 HydrophobicContact CG-CG2 4.37Å; W16-I37 HydrophobicContact CH2-CD1 3.53Å; W16-I37 HydrophobicContact CH2-CG1 4.17Å; W16-I37 HydrophobicContact CH2-CG2 4.49Å; W16-I37 HydrophobicContact CZ2-CD1 3.75Å; W16-I37 HydrophobicContact CZ3-CD1 4.05Å; W16-I37 HydrophobicContact CZ3-CG1 4.18Å; W16-I37 HydrophobicContact CZ3-CG2 4.15Å; W16-I41 HydrophobicContact CB-CD1 3.71Å; W16-I41 HydrophobicContact CG-CD1 4.35Å
17I89.9Confident82.5Confident16 Ų1675 Ų758%0.08238%0.378CS..Hα-helixtrans-69.1-43.2178.2-64177.4000110L6 V13 H14 Y19 G20 L21 L55 I57L6-I17 HydrophobicContact CD2-CD1 3.66Å; V13-I17 HydrophobicContact CG1-CD1 3.82Å; V13-I17 HydrophobicContact CG1-CG1 4.34Å; V13-I17 PolarHBondContact O-N 2.75Å; H14-I17 PolarHBondContact O-N 2.79Å; I17-Y19 VanDerWaalsContact C-N 3.32Å; I17-Y19 PolarHBondContact O-N 2.98Å; I17-G20 PolarHBondContact O-N 2.98Å; I17-G20 VanDerWaalsContact O-N 3.16Å; I17-L21 HydrophobicContact CG2-CD1 3.87Å; I17-L21 HydrophobicContact CG2-CG 4.27Å; I17-L21 WeakPolarHBondContact O-CG 3.44Å; I17-L21 PolarHBondContact O-N 3.13Å; I17-L55 HydrophobicContact CG2-CD2 4.44Å; I17-I57 HydrophobicContact CB-CG1 4.22Å; I17-I57 HydrophobicContact CD1-CD1 4.24Å; I17-I57 HydrophobicContact CG2-CB 4.1Å; I17-I57 HydrophobicContact CG2-CG1 4.14Å; I17-I57 HydrophobicContact CG2-CG2 4.26Å
18S89.6Confident81.3Confident26 Ų2678.8 Ų78.818%0.18239%0.392CS..Hα-helixtrans-58.6-43.1177.4-60.80000112.1H14 R15 S22 I57H14-S18 PolarHBondContact CE1-OG 3.33Å; H14-S18 VanDerWaalsContact CE1-OG 3.27Å; H14-S18 WeakPolarHBondContact O-CB 3.22Å; H14-S18 PolarHBondContact O-N 3.38Å; H14-S18 PolarHBondContact O-OG 2.89Å; R15-S18 PolarHBondContact O-N 2.78Å; S18-S22 VanDerWaalsContact O-CB 3.29Å; S18-S22 WeakPolarHBondContact O-CB 3.07Å; S18-S22 PolarHBondContact O-N 2.85Å; S18-S22 PolarHBondContact O-OG 2.88Å; S18-I57 WeakPolarHBondContact OG-CG2 3.32Å
19Y86.5Confident80Confident106 Ų10679.1 Ų79.142%0.41639%0.393SS..Hα-helixtrans-70.3-36.5175.9-70.1-16.5000112.9R15 I17 S23 L27R15-Y19 HydrophobicContact CG-CD2 3.71Å; R15-Y19 HydrophobicContact CG-CE1 4.32Å; R15-Y19 HydrophobicContact CG-CE2 3.29Å; R15-Y19 HydrophobicContact CG-CG 4.39Å; R15-Y19 WeakPolarHBondContact O-CB 3.41Å; R15-Y19 VanDerWaalsContact O-CG 3.25Å; R15-Y19 PolarHBondContact O-N 3.32Å; I17-Y19 VanDerWaalsContact C-N 3.32Å; I17-Y19 PolarHBondContact O-N 2.98Å; Y19-S23 PolarHBondContact O-N 3.18Å; Y19-L27 HydrophobicContact CD2-CD2 4.38Å
20G84.4Confident78.7Confident16 Ų1686.4 Ų86.417%0.16542%0.421CS..Hα-helixtrans-60.4-48.9172.900000112W16 I17 S23W16-G20 PolarHBondContact O-N 3.05Å; I17-G20 PolarHBondContact O-N 2.98Å; I17-G20 VanDerWaalsContact O-N 3.16Å; G20-S23 PolarHBondContact O-N 3.12Å
21L85.1Confident77.6Confident58 Ų5886.6 Ų86.630%0.30443%0.425SS..Hα-helixtrans-66.6-38.3178.8-71.3171.2000112.5I17 S23 L45 L55 I57I17-L21 HydrophobicContact CG2-CD1 3.87Å; I17-L21 HydrophobicContact CG2-CG 4.27Å; I17-L21 WeakPolarHBondContact O-CG 3.44Å; I17-L21 PolarHBondContact O-N 3.13Å; L21-S23 PolarHBondContact O-N 3.08Å; L21-S23 VanDerWaalsContact O-N 3.12Å; L21-L45 HydrophobicContact CD2-CD2 3.61Å; L21-L45 HydrophobicContact CG-CD2 4.09Å; L21-L55 HydrophobicContact CD1-CB 4.46Å; L21-L55 HydrophobicContact CD1-CD2 4.2Å; L21-L55 HydrophobicContact CD1-CG 4.25Å; L21-L55 HydrophobicContact CD2-CB 4.43Å; L21-L55 HydrophobicContact CD2-CD2 4.33Å; L21-I57 HydrophobicContact CD1-CG2 4.42Å
22S81.8Confident76.6Confident64 Ų6489.1 Ų89.145%0.44845%0.449SS..THydrogen-bonded Turntrans-71.1-3.2179.9-59.30000113.6S18 R24S18-S22 VanDerWaalsContact O-CB 3.29Å; S18-S22 WeakPolarHBondContact O-CB 3.07Å; S18-S22 PolarHBondContact O-N 2.85Å; S18-S22 PolarHBondContact O-OG 2.88Å; S22-R24 VanDerWaalsContact O-CB 3.31Å; S22-R24 WeakPolarHBondContact O-CB 3.23Å; S22-R24 VanDerWaalsContact O-CG 3.26Å; S22-R24 WeakPolarHBondContact O-CG 3.37Å; S22-R24 PolarHBondContact O-N 2.99Å
23S69.9Low76Confident111 Ų11189.2 Ų89.278%0.77645%0.452SS*.  trans48.61.4-172.468.60000116.3Y19 G20 L21 T25Y19-S23 PolarHBondContact O-N 3.18Å; G20-S23 PolarHBondContact O-N 3.12Å; L21-S23 PolarHBondContact O-N 3.08Å; L21-S23 VanDerWaalsContact O-N 3.12Å; S23-T25 PolarHBondContact O-N 3.19Å
24R60.4Low75.5Confident223 Ų22389 Ų8984%0.84245%0.448SS*.  trans-90-4.2-158.4-94.5-179.5-176.4-153.51.1115.6S22S22-R24 VanDerWaalsContact O-CB 3.31Å; S22-R24 WeakPolarHBondContact O-CB 3.23Å; S22-R24 VanDerWaalsContact O-CG 3.26Å; S22-R24 WeakPolarHBondContact O-CG 3.37Å; S22-R24 PolarHBondContact O-N 2.99Å
25T56.5Low75Confident82 Ų8293.7 Ų93.750%0.50347%0.472SS..  trans-157.7138.5178.829.90000112.6S23 L27S23-T25 PolarHBondContact O-N 3.19Å; T25-L27 PolarHBondContact O-N 2.64Å
26R63.7Low74.9Confident197 Ų19792.2 Ų92.274%0.74347%0.472SS*.  trans-59.2120164.4-165.3177.9-169.9-162.53.7107.8K28R26-K28 PolarHBondContact O-N 3.17Å
27L65.9Low74.7Confident20 Ų2090.1 Ų90.111%0.10547%0.466CS..  trans-55.8107.7172.4-64.1168.3000108W16 Y19 T25 I29 R38 I41W16-L27 HydrophobicContact CB-CD2 4.46Å; Y19-L27 HydrophobicContact CD2-CD2 4.38Å; T25-L27 PolarHBondContact O-N 2.64Å; L27-I29 HydrophobicContact CB-CD1 4.44Å; L27-I29 HydrophobicContact CB-CG1 4.47Å; L27-I29 PolarHBondContact O-N 2.86Å; L27-R38 HydrophobicContact CD1-CG 4.38Å; L27-R38 PolarHBondContact O-NH2 3.17Å; L27-I41 HydrophobicContact CD1-CD1 3.3Å
28K66Low74.3Confident199 Ų19993.6 Ų93.687%0.86548%0.478SS*.  trans-85.791.9176.4-71.2-174.9179.4178.60108R26R26-K28 PolarHBondContact O-N 3.17Å
29I65.5Low74.2Confident25 Ų25101.3 Ų101.313%0.12850%0.503CS..  trans-120.4115.7174.7-52.7174.9000107.4W16 L27 A31 E34 I37W16-I29 HydrophobicContact CD2-CD1 4.5Å; W16-I29 HydrophobicContact CZ2-CD1 3.97Å; L27-I29 HydrophobicContact CB-CD1 4.44Å; L27-I29 HydrophobicContact CB-CG1 4.47Å; L27-I29 PolarHBondContact O-N 2.86Å; I29-A31 HydrophobicContact CG2-CB 3.9Å; I29-A31 PolarHBondContact O-N 3.24Å; I29-E34 HydrophobicContact CB-CB 3.95Å; I29-E34 HydrophobicContact CB-CG 3.89Å; I29-E34 HydrophobicContact CG2-CB 4.18Å; I29-E34 PolarHBondContact N-OE1 3.27Å; I29-I37 HydrophobicContact CD1-CB 4.14Å; I29-I37 HydrophobicContact CD1-CD1 3.76Å; I29-I37 HydrophobicContact CD1-CG2 3.7Å; I29-I37 HydrophobicContact CG2-CD1 4.41Å
30K63.4Low74.4Confident228 Ų228104.9 Ų104.999%0.99152%0.516SS*.  trans-76.623.7-177.3-79.3-171.9170.8-176.60114.4
31A67.2Low74.6Confident45 Ų45104.9 Ų104.937%0.37251%0.512SS..SBendtrans-118.1153.8-162.700000114I29 S33 E34I29-A31 HydrophobicContact CG2-CB 3.9Å; I29-A31 PolarHBondContact O-N 3.24Å; A31-S33 PolarHBondContact O-N 3.38Å; A31-S33 VanDerWaalsContact O-N 3.11Å; A31-E34 WeakPolarHBondContact O-CB 3.37Å; A31-E34 PolarHBondContact O-N 3.43Å
32A67.5Low74.7Confident113 Ų113103.8 Ų103.893%0.93452%0.515SS*.THydrogen-bonded Turntrans-54.8-27.617100000113
33S75.8Confident75.2Confident57 Ų57105 Ų10540%0.39952%0.515SS..THydrogen-bonded Turntrans-84.4-4.117756.90000114.5A31 M35 L36 I37A31-S33 PolarHBondContact O-N 3.38Å; A31-S33 VanDerWaalsContact O-N 3.11Å; S33-M35 VanDerWaalsContact C-N 3.29Å; S33-M35 PolarHBondContact O-N 3.27Å; S33-L36 WeakPolarHBondContact O-CB 3.3Å; S33-L36 PolarHBondContact O-N 2.77Å; S33-L36 VanDerWaalsContact O-N 3.09Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 2.76Å; S33-I37 VanDerWaalsContact O-N 3.08Å
34E78Confident76.2Confident44 Ų44101.9 Ų101.921%0.20649%0.492CS..Hα-helixtrans-55.6-44.9-179.3175.5175.3-146.100111.8I29 A31 L36 I37 R38I29-E34 HydrophobicContact CB-CB 3.95Å; I29-E34 HydrophobicContact CB-CG 3.89Å; I29-E34 HydrophobicContact CG2-CB 4.18Å; I29-E34 PolarHBondContact N-OE1 3.27Å; A31-E34 WeakPolarHBondContact O-CB 3.37Å; A31-E34 PolarHBondContact O-N 3.43Å; E34-L36 PolarHBondContact O-N 3.11Å; E34-I37 PolarHBondContact O-N 2.9Å; E34-I37 VanDerWaalsContact O-N 3.14Å; E34-R38 HydrophobicContact CG-CG 4.28Å; E34-R38 WeakPolarHBondContact O-CG 3.36Å; E34-R38 PolarHBondContact O-N 2.93Å; E34-R38 IonicContact OE1-CZ 2.85Å; E34-R38 IonicContact OE1-NE 3.86Å; E34-R38 PolarHBondContact OE1-NE 3.17Å; E34-R38 IonicContact OE1-NH2 3.27Å; E34-R38 PolarHBondContact OE1-NH2 3.06Å; E34-R38 IonicContact OE2-NH2 3.96Å
35M82.4Confident77.5Confident147 Ų14793.9 Ų93.972%0.72447%0.466SS*.Hα-helixtrans-59-38.2-179.2-169.5-176.174.500111.6S33 R39S33-M35 VanDerWaalsContact C-N 3.29Å; S33-M35 PolarHBondContact O-N 3.27Å; M35-R39 WeakPolarHBondContact O-CB 3.18Å; M35-R39 PolarHBondContact O-N 2.94Å
36L84.9Confident79.2Confident93 Ų9393 Ų9349%0.48746%0.463SS..Hα-helixtrans-70.7-40.7177.6-66.5175.7000111.7S33 E34 R39 R40S33-L36 WeakPolarHBondContact O-CB 3.3Å; S33-L36 PolarHBondContact O-N 2.77Å; S33-L36 VanDerWaalsContact O-N 3.09Å; E34-L36 PolarHBondContact O-N 3.11Å; L36-R39 PolarHBondContact O-N 3.21Å; L36-R40 WeakPolarHBondContact O-CB 3.25Å; L36-R40 VanDerWaalsContact O-CG 3.31Å; L36-R40 WeakPolarHBondContact O-CG 3.33Å; L36-R40 PolarHBondContact O-N 2.85Å
37I84.1Confident80.5Confident23 Ų2387.7 Ų87.712%0.11845%0.448CS..Hα-helixtrans-63.4-47.2178.2-65.3162.6000109.8W16 I29 S33 E34 R39 R40 I41W16-I37 HydrophobicContact CD2-CG2 3.86Å; W16-I37 HydrophobicContact CE3-CG2 3.81Å; W16-I37 HydrophobicContact CG-CG2 4.37Å; W16-I37 HydrophobicContact CH2-CD1 3.53Å; W16-I37 HydrophobicContact CH2-CG1 4.17Å; W16-I37 HydrophobicContact CH2-CG2 4.49Å; W16-I37 HydrophobicContact CZ2-CD1 3.75Å; W16-I37 HydrophobicContact CZ3-CD1 4.05Å; W16-I37 HydrophobicContact CZ3-CG1 4.18Å; W16-I37 HydrophobicContact CZ3-CG2 4.15Å; I29-I37 HydrophobicContact CD1-CB 4.14Å; I29-I37 HydrophobicContact CD1-CD1 3.76Å; I29-I37 HydrophobicContact CD1-CG2 3.7Å; I29-I37 HydrophobicContact CG2-CD1 4.41Å; S33-I37 WeakPolarHBondContact O-CG1 3.48Å; S33-I37 PolarHBondContact O-N 2.76Å; S33-I37 VanDerWaalsContact O-N 3.08Å; E34-I37 PolarHBondContact O-N 2.9Å; E34-I37 VanDerWaalsContact O-N 3.14Å; I37-R39 PolarHBondContact O-N 3.32Å; I37-R40 PolarHBondContact O-N 2.7Å; I37-I41 HydrophobicContact CG2-CD1 3.56Å; I37-I41 HydrophobicContact CG2-CG1 4.48Å; I37-I41 WeakPolarHBondContact O-CD1 3.23Å; I37-I41 VanDerWaalsContact O-CG1 3.31Å; I37-I41 WeakPolarHBondContact O-CG1 3.48Å; I37-I41 PolarHBondContact O-N 3.4Å
38R82.4Confident81.6Confident89 Ų8988 Ų8834%0.33645%0.451SS..Hα-helixtrans-59.9-44.3175.6-72.1-175179.6-177.65.8112.3L27 E34 R40 I41 G42L27-R38 HydrophobicContact CD1-CG 4.38Å; L27-R38 PolarHBondContact O-NH2 3.17Å; E34-R38 HydrophobicContact CG-CG 4.28Å; E34-R38 WeakPolarHBondContact O-CG 3.36Å; E34-R38 PolarHBondContact O-N 2.93Å; E34-R38 IonicContact OE1-CZ 2.85Å; E34-R38 IonicContact OE1-NE 3.86Å; E34-R38 PolarHBondContact OE1-NE 3.17Å; E34-R38 IonicContact OE1-NH2 3.27Å; E34-R38 PolarHBondContact OE1-NH2 3.06Å; E34-R38 IonicContact OE2-NH2 3.96Å; R38-R40 PolarHBondContact O-N 2.98Å; R38-I41 PolarHBondContact O-N 2.84Å; R38-G42 PolarHBondContact O-N 2.84Å
39R87.3Confident82.7Confident187 Ų18786.4 Ų86.471%0.70645%0.447SS*.Hα-helixtrans-59.3-47.1176.2-178.4175.1-179144.62.4111.4M35 L36 I37 G42 I43M35-R39 WeakPolarHBondContact O-CB 3.18Å; M35-R39 PolarHBondContact O-N 2.94Å; L36-R39 PolarHBondContact O-N 3.21Å; I37-R39 PolarHBondContact O-N 3.32Å; R39-G42 PolarHBondContact O-N 2.67Å; R39-I43 HydrophobicContact CG-CD1 4.37Å; R39-I43 WeakPolarHBondContact O-CG1 3.46Å; R39-I43 PolarHBondContact O-N 3.42Å
40R90.3Very high83.9Confident181 Ų18192.4 Ų92.468%0.68347%0.474SS*.Hα-helixtrans-64.3-43.4-179.5-73.6176.7179.4-165.3-0.1112.1L36 I37 R38 G42 I43 V44L36-R40 WeakPolarHBondContact O-CB 3.25Å; L36-R40 VanDerWaalsContact O-CG 3.31Å; L36-R40 WeakPolarHBondContact O-CG 3.33Å; L36-R40 PolarHBondContact O-N 2.85Å; I37-R40 PolarHBondContact O-N 2.7Å; R38-R40 PolarHBondContact O-N 2.98Å; R40-G42 VanDerWaalsContact C-N 3.33Å; R40-I43 WeakPolarHBondContact O-CB 3.41Å; R40-I43 PolarHBondContact O-N 2.93Å; R40-V44 PolarHBondContact O-N 2.97Å; R40-V44 VanDerWaalsContact O-N 3.13Å
41I88.3Confident85.2Confident16 Ų1685.3 Ų85.38%0.08245%0.452CS..Hα-helixtrans-65.7-40.5176.5-66.7161.4000110.4W16 L27 I37 R38 I43 V44 L45W16-I41 HydrophobicContact CB-CD1 3.71Å; W16-I41 HydrophobicContact CG-CD1 4.35Å; L27-I41 HydrophobicContact CD1-CD1 3.3Å; I37-I41 HydrophobicContact CG2-CD1 3.56Å; I37-I41 HydrophobicContact CG2-CG1 4.48Å; I37-I41 WeakPolarHBondContact O-CD1 3.23Å; I37-I41 VanDerWaalsContact O-CG1 3.31Å; I37-I41 WeakPolarHBondContact O-CG1 3.48Å; I37-I41 PolarHBondContact O-N 3.4Å; R38-I41 PolarHBondContact O-N 2.84Å; I41-I43 VanDerWaalsContact C-N 3.28Å; I41-I43 PolarHBondContact O-N 3.43Å; I41-V44 PolarHBondContact O-N 3.05Å; I41-V44 VanDerWaalsContact O-N 3.09Å; I41-L45 HydrophobicContact CG2-CD1 3.97Å; I41-L45 HydrophobicContact CG2-CG 4.19Å; I41-L45 WeakPolarHBondContact O-CG 3.19Å; I41-L45 PolarHBondContact O-N 2.77Å
42G88.3Confident86.1Confident36 Ų3685.2 Ų85.237%0.37146%0.456SS..Hα-helixtrans-57-40.6174.200000112.7R38 R39 R40 L45 S46R38-G42 PolarHBondContact O-N 2.84Å; R39-G42 PolarHBondContact O-N 2.67Å; R40-G42 VanDerWaalsContact C-N 3.33Å; G42-L45 PolarHBondContact O-N 2.89Å; G42-S46 VanDerWaalsContact O-CB 3.28Å; G42-S46 WeakPolarHBondContact O-CB 3.16Å; G42-S46 PolarHBondContact O-N 3.26Å
43I92.1Very high87.1Confident88 Ų8881.8 Ų81.845%0.45142%0.422SS..Hα-helixtrans-62.6-46.1174-66.2163.6000110.9R39 R40 I41 L45 S46 L47R39-I43 HydrophobicContact CG-CD1 4.37Å; R39-I43 WeakPolarHBondContact O-CG1 3.46Å; R39-I43 PolarHBondContact O-N 3.42Å; R40-I43 WeakPolarHBondContact O-CB 3.41Å; R40-I43 PolarHBondContact O-N 2.93Å; I41-I43 VanDerWaalsContact C-N 3.28Å; I41-I43 PolarHBondContact O-N 3.43Å; I43-L45 PolarHBondContact O-N 3.29Å; I43-S46 PolarHBondContact O-N 2.94Å; I43-L47 HydrophobicContact CG2-CD1 4.04Å; I43-L47 HydrophobicContact CG2-CG 4.48Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.41Å
44V90.1Very high87.8Confident47 Ų4783.1 Ų83.129%0.28542%0.424SS..Hα-helixtrans-60.6-45.9178.6174.70000110.9R40 I41 L47 V48 L55R40-V44 PolarHBondContact O-N 2.97Å; R40-V44 VanDerWaalsContact O-N 3.13Å; I41-V44 PolarHBondContact O-N 3.05Å; I41-V44 VanDerWaalsContact O-N 3.09Å; V44-L47 PolarHBondContact O-N 2.93Å; V44-V48 VanDerWaalsContact O-CG2 3.27Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 2.99Å; V44-L55 HydrophobicContact CG1-CD2 3.76Å
45L88Confident88.5Confident55 Ų5582.3 Ų82.329%0.28842%0.421SS..Hα-helixtrans-65.1-42.3179.2-64177.3000112L21 I41 G42 I43 L47 V48 E49L21-L45 HydrophobicContact CD2-CD2 3.61Å; L21-L45 HydrophobicContact CG-CD2 4.09Å; I41-L45 HydrophobicContact CG2-CD1 3.97Å; I41-L45 HydrophobicContact CG2-CG 4.19Å; I41-L45 WeakPolarHBondContact O-CG 3.19Å; I41-L45 PolarHBondContact O-N 2.77Å; G42-L45 PolarHBondContact O-N 2.89Å; I43-L45 PolarHBondContact O-N 3.29Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 2.88Å; L45-V48 PolarHBondContact O-N 2.87Å; L45-E49 PolarHBondContact O-N 2.83Å
46S91.3Very high88.9Confident63 Ų6380 Ų8044%0.44141%0.407SS..Hα-helixtrans-58.5-43.4175.3-170.90000111.6G42 I43 E49 E50G42-S46 VanDerWaalsContact O-CB 3.28Å; G42-S46 WeakPolarHBondContact O-CB 3.16Å; G42-S46 PolarHBondContact O-N 3.26Å; I43-S46 PolarHBondContact O-N 2.94Å; S46-E49 PolarHBondContact O-N 3.18Å; S46-E50 WeakPolarHBondContact O-CB 3.43Å; S46-E50 PolarHBondContact O-N 2.86Å
47L91Very high89.3Confident85 Ų8576.3 Ų76.345%0.44539%0.388SS..Hα-helixtrans-67.6-37177.6-72.2171.7000112.3I43 V44 L45 E49 C51I43-L47 HydrophobicContact CG2-CD1 4.04Å; I43-L47 HydrophobicContact CG2-CG 4.48Å; I43-L47 WeakPolarHBondContact O-CG 3.43Å; I43-L47 PolarHBondContact O-N 3.41Å; V44-L47 PolarHBondContact O-N 2.93Å; L45-L47 VanDerWaalsContact C-N 3.32Å; L45-L47 PolarHBondContact O-N 2.88Å; L47-E49 VanDerWaalsContact C-N 3.32Å; L47-C51 VanDerWaalsContact O-CB 3.25Å; L47-C51 WeakPolarHBondContact O-CB 3.3Å; L47-C51 PolarHBondContact O-N 2.86Å
48V89.6Confident89.8Confident26 Ų2678 Ų7816%0.15840%0.397CS..Hα-helixtrans-63.1-42.6176.3169.20000110.7V44 L45 G52 L53 L55V44-V48 VanDerWaalsContact O-CG2 3.27Å; V44-V48 WeakPolarHBondContact O-CG2 3.39Å; V44-V48 PolarHBondContact O-N 2.99Å; L45-V48 PolarHBondContact O-N 2.87Å; V48-G52 PolarHBondContact O-N 2.88Å; V48-L53 WeakPolarHBondContact CG1-O 3.49Å; V48-L53 PolarHBondContact O-N 2.95Å; V48-L55 HydrophobicContact CG1-CB 4.35Å; V48-L55 HydrophobicContact CG2-CB 3.69Å; V48-L55 HydrophobicContact CG2-CD2 3.64Å; V48-L55 HydrophobicContact CG2-CG 4.26Å
49E88.9Confident90.4Very high167 Ų16777.9 Ų77.978%0.7840%0.402SS*.Hα-helixtrans-68.6-52.1176.9-173.9174-170.200111.8L45 S46 L47 C51 G52L45-E49 PolarHBondContact O-N 2.83Å; S46-E49 PolarHBondContact O-N 3.18Å; L47-E49 VanDerWaalsContact C-N 3.32Å; E49-C51 PolarHBondContact O-N 2.79Å; E49-G52 PolarHBondContact O-N 3.15Å; E49-G52 VanDerWaalsContact O-N 3.17Å
50E91.6Very high90.7Very high150 Ų15071 Ų7170%0.70138%0.381SS*.Hα-helixtrans-61.9-41-177-175.1-179.5174.900112.5S46S46-E50 WeakPolarHBondContact O-CB 3.43Å; S46-E50 PolarHBondContact O-N 2.86Å
51C89.3Confident90.7Very high79 Ų7969.8 Ų69.853%0.53438%0.381SS..THydrogen-bonded Turntrans-90.30.9179.5-63.80000113.6L47 E49 L53L47-C51 VanDerWaalsContact O-CB 3.25Å; L47-C51 WeakPolarHBondContact O-CB 3.3Å; L47-C51 PolarHBondContact O-N 2.86Å; E49-C51 PolarHBondContact O-N 2.79Å; C51-L53 VanDerWaalsContact C-N 3.29Å; C51-L53 HydrophobicContact CB-CD1 3.67Å; C51-L53 HydrophobicContact CB-CD2 4.12Å; C51-L53 HydrophobicContact CB-CG 3.56Å; C51-L53 PolarHBondContact O-N 3.44Å
52G88Confident90.5Very high43 Ų4371.6 Ų71.644%0.44339%0.394SS..THydrogen-bonded Turntrans57.439.6-178.700000113.5V48 E49V48-G52 PolarHBondContact O-N 2.88Å; E49-G52 PolarHBondContact O-N 3.15Å; E49-G52 VanDerWaalsContact O-N 3.17Å
53L88.2Confident90.3Very high42 Ų4272.8 Ų72.822%0.2240%0.401CS..  trans-87.8144.8-174.3-59.2170.2000110.9N2 I4 V48 C51N2-L53 HydrophobicContact CB-CD2 3.86Å; I4-L53 HydrophobicContact CD1-CD1 3.79Å; I4-L53 HydrophobicContact CD1-CD2 3.81Å; I4-L53 HydrophobicContact CD1-CG 4.28Å; I4-L53 HydrophobicContact CG1-CD2 4.29Å; V48-L53 WeakPolarHBondContact CG1-O 3.49Å; V48-L53 PolarHBondContact O-N 2.95Å; C51-L53 VanDerWaalsContact C-N 3.29Å; C51-L53 HydrophobicContact CB-CD1 3.67Å; C51-L53 HydrophobicContact CB-CD2 4.12Å; C51-L53 HydrophobicContact CB-CG 3.56Å; C51-L53 PolarHBondContact O-N 3.44Å
54N90.1Very high90.1Very high85 Ų8573.8 Ų73.846%0.45541%0.407SS..EExtended strand (participates in β ladder)trans-97.995.1165.9-169.9-43.2000108.2N2 V3 I4N2-N54 PolarHBondContact O-N 2.98Å; V3-N54 CarbonylContact C-O 3.52Å; V3-N54 WeakPolarHBondContact CA-O 3.43Å; V3-N54 HydrophobicContact CG2-CB 4.21Å; I4-N54 PolarHBondContact N-O 3.35Å
55L91.9Very high90Very high26 Ų2673.2 Ų73.214%0.13640%0.403CS..EExtended strand (participates in β ladder)trans-87.3120.9-178-177.865.3000111.1I4 L6 I17 L21 V44 V48I4-L55 HydrophobicContact CB-CD1 4.26Å; I4-L55 HydrophobicContact CG2-CD1 4.1Å; I4-L55 WeakPolarHBondContact O-CA 3.38Å; L6-L55 HydrophobicContact CB-CD1 3.79Å; I17-L55 HydrophobicContact CG2-CD2 4.44Å; L21-L55 HydrophobicContact CD1-CB 4.46Å; L21-L55 HydrophobicContact CD1-CD2 4.2Å; L21-L55 HydrophobicContact CD1-CG 4.25Å; L21-L55 HydrophobicContact CD2-CB 4.43Å; L21-L55 HydrophobicContact CD2-CD2 4.33Å; V44-L55 HydrophobicContact CG1-CD2 3.76Å; V48-L55 HydrophobicContact CG1-CB 4.35Å; V48-L55 HydrophobicContact CG2-CB 3.69Å; V48-L55 HydrophobicContact CG2-CD2 3.64Å; V48-L55 HydrophobicContact CG2-CG 4.26Å
56K92.2Very high89.8Confident98 Ų9879 Ų7943%0.42643%0.425SS..EExtended strand (participates in β ladder)trans-113.8127.8173.7-176.8-179167.2-154.50109.6I4 E5 L6I4-K56 PolarHBondContact O-N 3.42Å; E5-K56 CarbonylContact C-O 3.37Å; E5-K56 WeakPolarHBondContact CA-O 3.35Å; E5-K56 HydrophobicContact CG-CD 4.47Å; E5-K56 IonicContact OE1-NZ 2.68Å; E5-K56 PolarHBondContact OE1-NZ 3.23Å; L6-K56 PolarHBondContact N-O 3.39Å
57I93.1Very high89.4Confident17 Ų1779.4 Ų79.49%0.08743%0.428CS..EExtended strand (participates in β ladder)trans-105123.2-178.2-175.160.5000110.8L6 T8 H14 I17 S18 L21L6-I57 HydrophobicContact CB-CD1 3.88Å; L6-I57 HydrophobicContact CD2-CD1 3.76Å; L6-I57 HydrophobicContact CG-CD1 3.61Å; L6-I57 CarbonylContact O-C 3.46Å; L6-I57 WeakPolarHBondContact O-CA 3.32Å; L6-I57 VanDerWaalsContact O-CD1 3.3Å; L6-I57 WeakPolarHBondContact O-CD1 3.46Å; T8-I57 HydrophobicContact CG2-CD1 3.66Å; T8-I57 HydrophobicContact CG2-CG1 4.25Å; H14-I57 PolarHBondContact NE2-O 2.99Å; H14-I57 VanDerWaalsContact NE2-O 3.14Å; I17-I57 HydrophobicContact CB-CG1 4.22Å; I17-I57 HydrophobicContact CD1-CD1 4.24Å; I17-I57 HydrophobicContact CG2-CB 4.1Å; I17-I57 HydrophobicContact CG2-CG1 4.14Å; I17-I57 HydrophobicContact CG2-CG2 4.26Å; S18-I57 WeakPolarHBondContact OG-CG2 3.32Å; L21-I57 HydrophobicContact CD1-CG2 4.42Å
58L94.4Very high89.1Confident59 Ų5977.3 Ų77.331%0.30942%0.417SS..EExtended strand (participates in β ladder)trans-115.6135.2-178.8-66176.5000110.6L6 M7 T8L6-L58 PolarHBondContact O-N 3.19Å; M7-L58 HydrophobicContact CE-CD1 4.36Å; M7-L58 HydrophobicContact CG-CB 4.39Å; T8-L58 PolarHBondContact N-O 3.09Å
59L94.8Very high88.9Confident86 Ų8678.8 Ų78.845%0.4543%0.432SS..EExtended strand (participates in β ladder)trans-91.1115.6173.5-179.260.9000109.1T8 H14T8-L59 CarbonylContact O-C 3.57Å; T8-L59 WeakPolarHBondContact O-CA 3.33Å; T8-L59 WeakPolarHBondContact O-CD1 3.46Å; H14-L59 HydrophobicContact CB-CB 4.33Å; H14-L59 HydrophobicContact CB-CD1 4.21Å; H14-L59 PolarHBondContact CD2-N 3.02Å
60V94.4Very high88.6Confident41 Ų4178.1 Ų78.125%0.24843%0.433CS..  trans-94.7130.6174.2-178.40000107.7M7 T8 D9 D64 N65M7-V60 HydrophobicContact CB-CG2 3.9Å; M7-V60 HydrophobicContact CG-CG2 4.25Å; M7-V60 HydrophobicContact SD-CG2 4.34Å; T8-V60 PolarHBondContact O-N 2.89Å; D9-V60 VanDerWaalsContact CA-O 3.29Å; D9-V60 WeakPolarHBondContact CA-O 3.27Å; V60-D64 HydrophobicContact CG1-CB 3.9Å; V60-N65 HydrophobicContact CG1-CB 4.46Å
61K90Very high88.2Confident157 Ų15775.8 Ų75.868%0.68343%0.429SS*.  trans-66.1145.4175.8-65.2175.2179.7168.30108.7A63 D64 N65K61-A63 PolarHBondContact O-N 3.37Å; K61-D64 WeakPolarHBondContact CB-OD2 3.28Å; K61-D64 WeakPolarHBondContact O-CA 3.34Å; K61-D64 PolarHBondContact O-N 3.36Å; K61-N65 PolarHBondContact O-N 3.44Å
62S84Confident88Confident53 Ų5378.3 Ų78.337%0.37143%0.428SS..THydrogen-bonded Turntrans-59.6-20.417861.60000113.7D64 D68 R72S62-D64 VanDerWaalsContact C-N 3.34Å; S62-D68 WeakPolarHBondContact CA-OD2 3.49Å; S62-D68 WeakPolarHBondContact CB-OD2 3.37Å; S62-D68 WeakPolarHBondContact O-CB 3.48Å; S62-R72 VanDerWaalsContact CB-NH2 3.34Å; S62-R72 PolarHBondContact O-NH2 3.12Å; S62-R72 PolarHBondContact OG-NH2 2.86Å
63A83.6Confident87.7Confident61 Ų6181.5 Ų81.550%0.50443%0.434SS..THydrogen-bonded Turntrans-72.7-29.8173.100000112.4K61K61-A63 PolarHBondContact O-N 3.37Å
64D87.7Confident87.2Confident110 Ų11081.9 Ų81.959%0.58844%0.438SS*.THydrogen-bonded Turntrans-93.3-18.3-179.1-53.1-41.2000111.8V60 K61 S62 K66V60-D64 HydrophobicContact CG1-CB 3.9Å; K61-D64 WeakPolarHBondContact CB-OD2 3.28Å; K61-D64 WeakPolarHBondContact O-CA 3.34Å; K61-D64 PolarHBondContact O-N 3.36Å; S62-D64 VanDerWaalsContact C-N 3.34Å; D64-K66 PolarHBondContact O-N 3.36Å
65N88.1Confident86.6Confident35 Ų3586 Ų8619%0.18746%0.455CS..  trans-65.7114.1171.7178.28.7000109.6D9 V60 K61 S67 D68 A69D9-N65 HydrophobicContact CB-CB 4.33Å; D9-N65 PolarHBondContact OD2-ND2 3.21Å; V60-N65 HydrophobicContact CG1-CB 4.46Å; K61-N65 PolarHBondContact O-N 3.44Å; N65-S67 PolarHBondContact O-N 2.85Å; N65-S67 PolarHBondContact OD1-N 3.37Å; N65-S67 VanDerWaalsContact OD1-N 3.08Å; N65-D68 HydrophobicContact CB-CB 4.08Å; N65-D68 PolarHBondContact ND2-OD2 3.23Å; N65-D68 PolarHBondContact O-N 2.89Å; N65-D68 VanDerWaalsContact O-N 3.09Å; N65-A69 WeakPolarHBondContact O-CB 3.45Å; N65-A69 PolarHBondContact O-N 2.94Å
66K84.5Confident86Confident175 Ų17592 Ų9276%0.76148%0.482SS*.Hα-helixtrans-54.9-38179.5-67.3-179178.51780112.7D64 A69 L70D64-K66 PolarHBondContact O-N 3.36Å; K66-A69 PolarHBondContact O-N 3.27Å; K66-L70 WeakPolarHBondContact O-CB 3.49Å; K66-L70 WeakPolarHBondContact O-CG 3.44Å; K66-L70 PolarHBondContact O-N 3.24Å
67S83Confident85.2Confident73 Ų7396.1 Ų96.151%0.5150%0.495SS..Hα-helixtrans-63.2-46179.2-173.60000111N65 L70 T71N65-S67 PolarHBondContact O-N 2.85Å; N65-S67 PolarHBondContact OD1-N 3.37Å; N65-S67 VanDerWaalsContact OD1-N 3.08Å; S67-L70 PolarHBondContact O-N 3.13Å; S67-T71 WeakPolarHBondContact O-CB 3.47Å; S67-T71 WeakPolarHBondContact O-CG2 3.42Å; S67-T71 PolarHBondContact O-N 3.46Å; S67-T71 PolarHBondContact O-OG1 3.44Å
68D84.5Confident84.2Confident40 Ų4098.5 Ų98.521%0.21451%0.513CS..Hα-helixtrans-70.3-40.4177.8-69-21.3000111.2S62 N65 L70 T71 R72S62-D68 WeakPolarHBondContact CA-OD2 3.49Å; S62-D68 WeakPolarHBondContact CB-OD2 3.37Å; S62-D68 WeakPolarHBondContact O-CB 3.48Å; N65-D68 HydrophobicContact CB-CB 4.08Å; N65-D68 PolarHBondContact ND2-OD2 3.23Å; N65-D68 PolarHBondContact O-N 2.89Å; N65-D68 VanDerWaalsContact O-N 3.09Å; D68-L70 VanDerWaalsContact C-N 3.27Å; D68-L70 PolarHBondContact O-N 3.09Å; D68-T71 WeakPolarHBondContact CA-OG1 3.36Å; D68-T71 CarbonylContact O-C 3.59Å; D68-T71 PolarHBondContact O-N 2.89Å; D68-T71 VanDerWaalsContact O-N 3.13Å; D68-T71 PolarHBondContact O-OG1 3.35Å; D68-R72 WeakPolarHBondContact O-CA 3.4Å; D68-R72 WeakPolarHBondContact O-CB 3.34Å; D68-R72 PolarHBondContact O-N 2.87Å
69A84.4Confident82.7Confident57 Ų5799.4 Ų99.447%0.47154%0.537SS..Hα-helixtrans-59.5-39.4177.200000111.9N65 K66 T71N65-A69 WeakPolarHBondContact O-CB 3.45Å; N65-A69 PolarHBondContact O-N 2.94Å; K66-A69 PolarHBondContact O-N 3.27Å; A69-T71 VanDerWaalsContact C-N 3.34Å
70L82.5Confident80.9Confident153 Ų15399.2 Ų99.280%0.80154%0.543SS*.Hα-helixtrans-75.1-21.2177.7-68.1173.1000113.6K66 S67 D68K66-L70 WeakPolarHBondContact O-CB 3.49Å; K66-L70 WeakPolarHBondContact O-CG 3.44Å; K66-L70 PolarHBondContact O-N 3.24Å; S67-L70 PolarHBondContact O-N 3.13Å; D68-L70 VanDerWaalsContact C-N 3.27Å; D68-L70 PolarHBondContact O-N 3.09Å
71T85Confident78.8Confident101 Ų101102 Ų10262%0.6256%0.564SS**Hα-helixtrans-109.9-4.2-177.756.80000113.6S67 D68 A69 I73S67-T71 WeakPolarHBondContact O-CB 3.47Å; S67-T71 WeakPolarHBondContact O-CG2 3.42Å; S67-T71 PolarHBondContact O-N 3.46Å; S67-T71 PolarHBondContact O-OG1 3.44Å; D68-T71 WeakPolarHBondContact CA-OG1 3.36Å; D68-T71 CarbonylContact O-C 3.59Å; D68-T71 PolarHBondContact O-N 2.89Å; D68-T71 VanDerWaalsContact O-N 3.13Å; D68-T71 PolarHBondContact O-OG1 3.35Å; A69-T71 VanDerWaalsContact C-N 3.34Å; T71-I73 PolarHBondContact O-N 3.31Å
72R83.1Confident77Confident132 Ų132103.6 Ų103.650%0.49857%0.571SS.*PPolyproline II helixtrans-73.5121.1-178.9-173.2174.1-59.7-124-0.6110.3S62 D68S62-R72 VanDerWaalsContact CB-NH2 3.34Å; S62-R72 PolarHBondContact O-NH2 3.12Å; S62-R72 PolarHBondContact OG-NH2 2.86Å; D68-R72 WeakPolarHBondContact O-CA 3.4Å; D68-R72 WeakPolarHBondContact O-CB 3.34Å; D68-R72 PolarHBondContact O-N 2.87Å
73I81.8Confident75.2Confident111 Ų111106.3 Ų106.357%0.56959%0.585SS**PPolyproline II helixtrans-64131174.3-65.2169.2000109.1T71 W77T71-I73 PolarHBondContact O-N 3.31Å; I73-W77 HydrophobicContact CG2-CB 3.59Å; I73-W77 HydrophobicContact CG2-CD2 4.36Å; I73-W77 HydrophobicContact CG2-CE3 3.88Å; I73-W77 HydrophobicContact CG2-CG 4.32Å
74P79.5Confident73.3Confident49 Ų49108 Ų10832%0.31859%0.593SS.*PPolyproline II helixtrans-55.4140.6175.8-26.334.4000112.2H76 W77 S78P74-H76 WeakPolarHBondContact CB-CE1 3.28Å; P74-H76 VanDerWaalsContact CB-ND1 3.3Å; P74-H76 WeakPolarHBondContact CB-ND1 3.31Å; P74-H76 PolarHBondContact O-N 3.46Å; P74-H76 VanDerWaalsContact O-N 3.09Å; P74-W77 HydrophobicContact CG-CD2 4.31Å; P74-W77 WeakPolarHBondContact O-CB 3.26Å; P74-W77 PolarHBondContact O-N 2.7Å; P74-S78 PolarHBondContact O-N 3.21Å
75Q77.3Confident71Confident172 Ų172107.5 Ų107.580%0.80459%0.594SS**THydrogen-bonded Turntrans-60.6-26.5-176.8-79.4-168.1-26.100113.9W77 S78Q75-W77 VanDerWaalsContact C-N 3.26Å; Q75-W77 PolarHBondContact O-N 3.04Å; Q75-S78 VanDerWaalsContact CA-OG 3.22Å; Q75-S78 WeakPolarHBondContact CA-OG 3.44Å; Q75-S78 CarbonylContact O-C 3.51Å; Q75-S78 PolarHBondContact O-N 3.08Å; Q75-S78 VanDerWaalsContact O-N 3.15Å; Q75-S78 PolarHBondContact O-OG 3.28Å
76H77.8Confident68.9Low151 Ų151114 Ų11470%0.69962%0.623SS**THydrogen-bonded Turntrans-69.9-23.5176.267-91.1000112.6P74P74-H76 WeakPolarHBondContact CB-CE1 3.28Å; P74-H76 VanDerWaalsContact CB-ND1 3.3Å; P74-H76 WeakPolarHBondContact CB-ND1 3.31Å; P74-H76 PolarHBondContact O-N 3.46Å; P74-H76 VanDerWaalsContact O-N 3.09Å
77W76.6Confident66.6Low185 Ų185110.1 Ų110.170%0.70162%0.623SS**THydrogen-bonded Turntrans-79.5-29.6169.6-65.81.2000111.4I73 P74 Q75 G79I73-W77 HydrophobicContact CG2-CB 3.59Å; I73-W77 HydrophobicContact CG2-CD2 4.36Å; I73-W77 HydrophobicContact CG2-CE3 3.88Å; I73-W77 HydrophobicContact CG2-CG 4.32Å; P74-W77 HydrophobicContact CG-CD2 4.31Å; P74-W77 WeakPolarHBondContact O-CB 3.26Å; P74-W77 PolarHBondContact O-N 2.7Å; Q75-W77 VanDerWaalsContact C-N 3.26Å; Q75-W77 PolarHBondContact O-N 3.04Å; W77-G79 PolarHBondContact O-N 3.32Å
78S72.5Confident64.6Low68 Ų68112.9 Ų112.948%0.47664%0.642SS.*THydrogen-bonded Turntrans-78.958.317365.80000111.7P74 Q75 S80P74-S78 PolarHBondContact O-N 3.21Å; Q75-S78 VanDerWaalsContact CA-OG 3.22Å; Q75-S78 WeakPolarHBondContact CA-OG 3.44Å; Q75-S78 CarbonylContact O-C 3.51Å; Q75-S78 PolarHBondContact O-N 3.08Å; Q75-S78 VanDerWaalsContact O-N 3.15Å; Q75-S78 PolarHBondContact O-OG 3.28Å; S78-S80 VanDerWaalsContact C-N 3.28Å; S78-S80 PolarHBondContact O-N 2.85Å
79G62.3Low62.6Low77 Ų77115.2 Ų115.279%0.79467%0.666SS**THydrogen-bonded Turntrans43.623.614600000121.8W77W77-G79 PolarHBondContact O-N 3.32Å
80S56Low60.3Low83 Ų83119.9 Ų119.958%0.5868%0.683SS**  trans-125.161.3172.1163.20000108.7S78 K82S78-S80 VanDerWaalsContact C-N 3.28Å; S78-S80 PolarHBondContact O-N 2.85Å; S80-K82 PolarHBondContact O-N 3.49Å
81S50.8Low58.4Low100 Ų100119.2 Ų119.270%0.69969%0.685SS**  trans-63.993160.8-172.10000107T83S81-T83 PolarHBondContact O-N 3.27Å; S81-T83 WeakPolarHBondContact OG-CB 3.02Å; S81-T83 PolarHBondContact OG-OG1 2.91Å
82K51.6Low56.7Low190 Ų190120.2 Ų120.283%0.82669%0.691SS**  trans-71.145.5162.6-71.1-175.4178.5179.20109.2S80 S84S80-K82 PolarHBondContact O-N 3.49Å; K82-S84 PolarHBondContact O-N 2.8Å
83T47.6Very low55Low109 Ų109117.3 Ų117.367%0.66970%0.701SS**  trans-75.982.6166.8-510000106.1S81S81-T83 PolarHBondContact O-N 3.27Å; S81-T83 WeakPolarHBondContact OG-CB 3.02Å; S81-T83 PolarHBondContact OG-OG1 2.91Å
84S43.6Very low53.8Low96 Ų96115.9 Ų115.967%0.67170%0.701SS**  trans-44.2133.8150.9177.80000108.8K82K82-S84 PolarHBondContact O-N 2.8Å
85V37.9Very low52.9Low100 Ų100115.5 Ų115.561%0.60670%0.7SS**  trans71.699.4166.1-1280000116.8
86H44.8Very low52.3Low172 Ų172112.2 Ų112.280%0.79669%0.692SS**  171.2122.689.6-106.6-77.7000110.2
87A35.3Very low51.7Low93 Ų93112.1 Ų112.177%0.76969%0.691SS**  trans46.776.5143.100000118.6
88C41.9Very low51.4Low132 Ų132109.1 Ų109.189%0.89269%0.685SS**  trans-111.6122.9137.6-86.40000108L90C88-L90 PolarHBondContact O-N 3.16Å
89A41.8Very low51.4Low89 Ų89110.8 Ų110.874%0.73669%0.688SS**  trans-53.9127.9-17300000112.1T91A89-T91 PolarHBondContact O-N 3.31Å; A89-T91 VanDerWaalsContact O-N 3.12Å
90L37.3Very low51.5Low155 Ų155111.3 Ų111.381%0.81267%0.671SS**  trans27.576.8132.6-65.4162.8000115.9C88 V92C88-L90 PolarHBondContact O-N 3.16Å; L90-V92 HydrophobicContact CD2-CG2 4.01Å
91T43Very low52Low139 Ų139110 Ų11085%0.85367%0.666SS**  trans-105.488.6139.664.40000106.9A89 G93A89-T91 PolarHBondContact O-N 3.31Å; A89-T91 VanDerWaalsContact O-N 3.12Å; T91-G93 PolarHBondContact O-N 2.88Å
92V47.7Very low52.9Low122 Ų122112 Ų11274%0.73966%0.662SS**  trans-54.7127169.9173.20000108.7L90L90-V92 HydrophobicContact CD2-CG2 4.01Å
93G48.4Very low53.5Low70 Ų70107 Ų10772%0.72265%0.647SS**SBendtrans60.271.4144.700000117.7T91T91-G93 PolarHBondContact O-N 2.88Å
94S55.8Low53.9Low81 Ų81107.3 Ų107.357%0.56664%0.641SS**SBendtrans-172.286.2139.632.40000108.1
95S60.9Low54.8Low41 Ų41108 Ų10829%0.28763%0.633SS.*  trans27.1109154.5165.70000115.4E97 Q98 I99S95-E97 PolarHBondContact O-N 2.84Å; S95-E97 WeakPolarHBondContact OG-CA 3.12Å; S95-E97 WeakPolarHBondContact OG-CB 3.3Å; S95-E97 PolarHBondContact OG-N 2.81Å; S95-E97 VanDerWaalsContact OG-N 3.1Å; S95-E97 PolarHBondContact OG-OE2 3.14Å; S95-Q98 WeakPolarHBondContact O-CA 3.37Å; S95-Q98 WeakPolarHBondContact O-CB 3.5Å; S95-Q98 PolarHBondContact O-N 3.38Å; S95-Q98 PolarHBondContact OG-N 2.73Å; S95-Q98 VanDerWaalsContact OG-N 3.07Å; S95-I99 PolarHBondContact O-N 2.97Å
96V65Low55.9Low104 Ų104109 Ų10963%0.6364%0.635SS**Hα-helixtrans-48.4-28.5163.9-179.40000111Q98 I99 I100V96-Q98 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 3.17Å; V96-I99 PolarHBondContact O-N 2.76Å; V96-I99 VanDerWaalsContact O-N 3.14Å; V96-I100 HydrophobicContact CG1-CD1 3.91Å; V96-I100 HydrophobicContact CG1-CG1 4.28Å; V96-I100 WeakPolarHBondContact O-CB 3.29Å; V96-I100 VanDerWaalsContact O-CG1 3.31Å; V96-I100 WeakPolarHBondContact O-CG1 3.22Å; V96-I100 PolarHBondContact O-N 2.95Å
97E64.5Low56.5Low149 Ų149104.6 Ų104.670%0.69663%0.628SS**Hα-helixtrans-66.4-33.7174.9-43142.3146.300111.8S95 I99 A101S95-E97 PolarHBondContact O-N 2.84Å; S95-E97 WeakPolarHBondContact OG-CA 3.12Å; S95-E97 WeakPolarHBondContact OG-CB 3.3Å; S95-E97 PolarHBondContact OG-N 2.81Å; S95-E97 VanDerWaalsContact OG-N 3.1Å; S95-E97 PolarHBondContact OG-OE2 3.14Å; E97-I99 VanDerWaalsContact C-N 3.35Å; E97-A101 WeakPolarHBondContact O-CA 3.36Å; E97-A101 WeakPolarHBondContact O-CB 3.31Å; E97-A101 PolarHBondContact O-N 3.38Å
98Q71.7Confident56.8Low121 Ų121100.6 Ų100.657%0.56560%0.596SS**Hα-helixtrans-67.2-35.4170.6-70.7-177.88.100111.9S95 V96 K102S95-Q98 WeakPolarHBondContact O-CA 3.37Å; S95-Q98 WeakPolarHBondContact O-CB 3.5Å; S95-Q98 PolarHBondContact O-N 3.38Å; S95-Q98 PolarHBondContact OG-N 2.73Å; S95-Q98 VanDerWaalsContact OG-N 3.07Å; V96-Q98 VanDerWaalsContact C-N 3.34Å; V96-Q98 PolarHBondContact O-N 3.17Å; Q98-K102 VanDerWaalsContact O-CB 3.26Å; Q98-K102 WeakPolarHBondContact O-CB 3.37Å; Q98-K102 PolarHBondContact O-N 3.44Å
99I71.7Confident56.9Low104 Ų104101.5 Ų101.553%0.53359%0.587SS.*Hα-helixtrans-69.6-46.7175.4-60.1174.5000109.8S95 V96 E97 A101 K102 V103S95-I99 PolarHBondContact O-N 2.97Å; V96-I99 PolarHBondContact O-N 2.76Å; V96-I99 VanDerWaalsContact O-N 3.14Å; E97-I99 VanDerWaalsContact C-N 3.35Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 2.9Å; I99-K102 CarbonylContact O-C 3.57Å; I99-K102 WeakPolarHBondContact O-CB 3.17Å; I99-K102 PolarHBondContact O-N 3.47Å; I99-K102 VanDerWaalsContact O-N 3.17Å; I99-V103 HydrophobicContact CG2-CG2 4.32Å; I99-V103 WeakPolarHBondContact O-CB 3.38Å; I99-V103 VanDerWaalsContact O-CG2 3.28Å; I99-V103 WeakPolarHBondContact O-CG2 3.47Å; I99-V103 PolarHBondContact O-N 3.16Å
100I64.9Low57.2Low87 Ų87103 Ų10345%0.44659%0.589SS.*Hα-helixtrans-59.6-47.3175.2-70.4170.3000109.5V96 K102 V103 H104V96-I100 HydrophobicContact CG1-CD1 3.91Å; V96-I100 HydrophobicContact CG1-CG1 4.28Å; V96-I100 WeakPolarHBondContact O-CB 3.29Å; V96-I100 VanDerWaalsContact O-CG1 3.31Å; V96-I100 WeakPolarHBondContact O-CG1 3.22Å; V96-I100 PolarHBondContact O-N 2.95Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.93Å; I100-V103 CarbonylContact O-C 3.6Å; I100-V103 PolarHBondContact O-N 3.45Å; I100-H104 VanDerWaalsContact CG2-CD2 3.45Å; I100-H104 WeakPolarHBondContact CG2-CD2 3.31Å; I100-H104 WeakPolarHBondContact O-CB 3.29Å; I100-H104 PolarHBondContact O-CD2 2.86Å; I100-H104 PolarHBondContact O-N 3.01Å
101A65.3Low57.6Low57 Ų5797.8 Ų97.847%0.47157%0.573SS.*Hα-helixtrans-61.9-40.6175.500000111.3E97 I99 H105E97-A101 WeakPolarHBondContact O-CA 3.36Å; E97-A101 WeakPolarHBondContact O-CB 3.31Å; E97-A101 PolarHBondContact O-N 3.38Å; I99-A101 VanDerWaalsContact C-N 3.34Å; I99-A101 PolarHBondContact O-N 2.9Å; A101-H105 WeakPolarHBondContact O-CA 3.47Å; A101-H105 WeakPolarHBondContact O-CB 3.46Å; A101-H105 PolarHBondContact O-N 2.92Å
102K69.5Low57.9Low141 Ų14196 Ų9661%0.61356%0.558SS**Hα-helixtrans-63.2-43172.6-113.2173.8174172.40111.5Q98 I99 I100 H105 N106Q98-K102 VanDerWaalsContact O-CB 3.26Å; Q98-K102 WeakPolarHBondContact O-CB 3.37Å; Q98-K102 PolarHBondContact O-N 3.44Å; I99-K102 CarbonylContact O-C 3.57Å; I99-K102 WeakPolarHBondContact O-CB 3.17Å; I99-K102 PolarHBondContact O-N 3.47Å; I99-K102 VanDerWaalsContact O-N 3.17Å; I100-K102 VanDerWaalsContact C-N 3.34Å; I100-K102 PolarHBondContact O-N 2.93Å; K102-H105 PolarHBondContact O-N 2.93Å; K102-N106 WeakPolarHBondContact O-CA 3.02Å; K102-N106 WeakPolarHBondContact O-CB 3.26Å; K102-N106 PolarHBondContact O-N 3.5Å; K102-N106 PolarHBondContact O-ND2 3.49Å; K102-N106 PolarHBondContact O-OD1 3.26Å
103V65.3Low58Low84 Ų8497.2 Ų97.251%0.50955%0.549SS..Hα-helixtrans-66.3-46.5178.7170.70000109.6I99 I100 H105 N106 A107I99-V103 HydrophobicContact CG2-CG2 4.32Å; I99-V103 WeakPolarHBondContact O-CB 3.38Å; I99-V103 VanDerWaalsContact O-CG2 3.28Å; I99-V103 WeakPolarHBondContact O-CG2 3.47Å; I99-V103 PolarHBondContact O-N 3.16Å; I100-V103 CarbonylContact O-C 3.6Å; I100-V103 PolarHBondContact O-N 3.45Å; V103-H105 VanDerWaalsContact C-N 3.32Å; V103-H105 PolarHBondContact O-N 3.21Å; V103-N106 PolarHBondContact O-N 3.28Å; V103-A107 WeakPolarHBondContact O-CA 3.34Å; V103-A107 WeakPolarHBondContact O-CB 3.43Å; V103-A107 PolarHBondContact O-N 3.35Å
104H56.2Low58.3Low117 Ų11795.3 Ų95.354%0.54252%0.522SS..Hα-helixtrans-66.1-32.7174.4-80.6-75.5000112.9I100 G108I100-H104 VanDerWaalsContact CG2-CD2 3.45Å; I100-H104 WeakPolarHBondContact CG2-CD2 3.31Å; I100-H104 WeakPolarHBondContact O-CB 3.29Å; I100-H104 PolarHBondContact O-CD2 2.86Å; I100-H104 PolarHBondContact O-N 3.01Å; H104-G108 CarbonylContact O-C 3.53Å; H104-G108 VanDerWaalsContact O-CA 3.23Å; H104-G108 WeakPolarHBondContact O-CA 3.5Å; H104-G108 PolarHBondContact O-N 3.16Å; H104-G108 VanDerWaalsContact O-N 3.12Å
105H61.3Low58.5Low111 Ų111100 Ų10051%0.51454%0.535SS..Hα-helixtrans-72.2-43.1175.2-170.894.5000110.9A101 K102 V103 G108 R113A101-H105 WeakPolarHBondContact O-CA 3.47Å; A101-H105 WeakPolarHBondContact O-CB 3.46Å; A101-H105 PolarHBondContact O-N 2.92Å; K102-H105 PolarHBondContact O-N 2.93Å; V103-H105 VanDerWaalsContact C-N 3.32Å; V103-H105 PolarHBondContact O-N 3.21Å; H105-G108 PolarHBondContact O-N 3Å; H105-R113 PolarHBondContact CE1-NH2 3.21Å; H105-R113 PolarHBondContact O-NH1 2.84Å
106N61.2Low59.4Low121 Ų121101.6 Ų101.665%0.64754%0.543SS*.Hα-helixtrans-77.6-44.2-177-66-4.2000111.7K102 V103 G108K102-N106 WeakPolarHBondContact O-CA 3.02Å; K102-N106 WeakPolarHBondContact O-CB 3.26Å; K102-N106 PolarHBondContact O-N 3.5Å; K102-N106 PolarHBondContact O-ND2 3.49Å; K102-N106 PolarHBondContact O-OD1 3.26Å; V103-N106 PolarHBondContact O-N 3.28Å; N106-G108 PolarHBondContact O-N 3.36Å
107A58.6Low60.1Low78 Ų7897.8 Ų97.865%0.64552%0.521SS*.SBendtrans-72.5-11.8174.400000112.1V103V103-A107 WeakPolarHBondContact O-CA 3.34Å; V103-A107 WeakPolarHBondContact O-CB 3.43Å; V103-A107 PolarHBondContact O-N 3.35Å
108G41.8Very low61.2Low10 Ų1093.1 Ų93.110%0.10351%0.508CS..  trans66.9158.5-169.300000111.1H104 H105 N106H104-G108 CarbonylContact O-C 3.53Å; H104-G108 VanDerWaalsContact O-CA 3.23Å; H104-G108 WeakPolarHBondContact O-CA 3.5Å; H104-G108 PolarHBondContact O-N 3.16Å; H104-G108 VanDerWaalsContact O-N 3.12Å; H105-G108 PolarHBondContact O-N 3Å; N106-G108 PolarHBondContact O-N 3.36Å
109H43Very low61.8Low151 Ų15190.1 Ų90.170%0.69950%0.496SS*.  trans-53.4138.4150.9-167.863.6000106.3G111H109-G111 CarbonylContact O-C 3.29Å; H109-G111 PolarHBondContact O-N 3.23Å
110P48.7Very low62.4Low120 Ų12085.4 Ų85.478%0.77947%0.472SS*.SBendtrans-58.6-0.5179.417.9-29.2000114.6L112P110-L112 PolarHBondContact O-N 2.79Å
111G45.3Very low63.6Low45 Ų4582 Ų8246%0.46446%0.455SS..SBendtrans-69.799.9153.300000109.6H109 R113H109-G111 CarbonylContact O-C 3.29Å; H109-G111 PolarHBondContact O-N 3.23Å; G111-R113 PolarHBondContact O-N 2.9Å; G111-R113 VanDerWaalsContact O-N 3.15Å
112L48.7Very low64.6Low103 Ų10385.7 Ų85.754%0.53946%0.462SS..  trans-27.2117.7172.9-68165.3000111.2P110 L114 F145P110-L112 PolarHBondContact O-N 2.79Å; L112-L114 HydrophobicContact CB-CB 4.34Å; L112-L114 HydrophobicContact CB-CD1 4.11Å; L112-L114 HydrophobicContact CB-CG 4.13Å; L112-L114 HydrophobicContact CD1-CD1 4.31Å; L112-L114 HydrophobicContact CD2-CD1 4.21Å; L112-L114 HydrophobicContact CG-CD1 4.45Å; L112-L114 PolarHBondContact O-N 3.21Å; L112-F145 HydrophobicContact CD1-CZ 4.1Å
113R51.2Low65.3Low147 Ų14784.1 Ų84.156%0.55546%0.457SS*.  trans-70.321.3176.1-118.8-179.2171.1173-7.3113.1H105 G111 Q115H105-R113 PolarHBondContact CE1-NH2 3.21Å; H105-R113 PolarHBondContact O-NH1 2.84Å; G111-R113 PolarHBondContact O-N 2.9Å; G111-R113 VanDerWaalsContact O-N 3.15Å; R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.06Å
114L53.3Low66.3Low30 Ų3082 Ų8216%0.15744%0.443CS..  trans-77.589173.1-59.2175.1000105.1L112 T116 D119 V120 Q123L112-L114 HydrophobicContact CB-CB 4.34Å; L112-L114 HydrophobicContact CB-CD1 4.11Å; L112-L114 HydrophobicContact CB-CG 4.13Å; L112-L114 HydrophobicContact CD1-CD1 4.31Å; L112-L114 HydrophobicContact CD2-CD1 4.21Å; L112-L114 HydrophobicContact CG-CD1 4.45Å; L112-L114 PolarHBondContact O-N 3.21Å; L114-T116 PolarHBondContact O-N 3.09Å; L114-T116 VanDerWaalsContact O-N 3.14Å; L114-D119 HydrophobicContact CB-CB 3.98Å; L114-D119 HydrophobicContact CD2-CB 3.75Å; L114-D119 HydrophobicContact CG-CB 4.4Å; L114-V120 HydrophobicContact CB-CB 4.49Å; L114-V120 HydrophobicContact CB-CG2 3.47Å; L114-V120 VanDerWaalsContact CB-CG2 3.47Å; L114-V120 HydrophobicContact CD1-CB 4.17Å; L114-V120 HydrophobicContact CD1-CG1 4.45Å; L114-V120 HydrophobicContact CD1-CG2 3.85Å; L114-V120 HydrophobicContact CG-CG2 4.27Å; L114-Q123 VanDerWaalsContact CD1-OE1 3.29Å; L114-Q123 HydrophobicContact CD2-CG 4.38Å
115Q60.1Low67.8Low179 Ų17978.3 Ų78.384%0.83643%0.426SS*.  trans-64.5-19.1-171.8-66.5-169.63400111.7R113R113-Q115 VanDerWaalsContact C-N 3.3Å; R113-Q115 PolarHBondContact O-N 3.06Å
116T79.1Confident68.9Low74 Ų7476.5 Ų76.545%0.45442%0.423SS..SBendtrans-125.2144.9179.6-39.80000110.7L114 A118 D119 V120L114-T116 PolarHBondContact O-N 3.09Å; L114-T116 VanDerWaalsContact O-N 3.14Å; T116-A118 HydrophobicContact CG2-CB 4.14Å; T116-A118 PolarHBondContact O-N 2.97Å; T116-D119 WeakPolarHBondContact CB-OD2 3.39Å; T116-D119 PolarHBondContact N-OD2 3.3Å; T116-D119 VanDerWaalsContact N-OD2 3.11Å; T116-D119 PolarHBondContact O-N 3.01Å; T116-V120 PolarHBondContact O-N 3.41Å
117S81.3Confident70Confident25 Ų2574.1 Ų74.118%0.17541%0.413CS..Hα-helixtrans-52.3-26.3168.857.50000114V121 A144 S147 T149S117-V121 WeakPolarHBondContact O-CB 3.43Å; S117-V121 WeakPolarHBondContact O-CG2 3.18Å; S117-V121 PolarHBondContact O-N 3.45Å; S117-V121 VanDerWaalsContact O-N 3.1Å; S117-A144 WeakPolarHBondContact CB-O 3.01Å; S117-S147 VanDerWaalsContact CB-CB 3.5Å; S117-S147 WeakPolarHBondContact CB-OG 3.42Å; S117-S147 PolarHBondContact OG-OG 3.04Å; S117-T149 WeakPolarHBondContact CB-OG1 3.38Å; S117-T149 PolarHBondContact OG-OG1 3.29Å
118A86.6Confident71.4Confident51 Ų5170.9 Ų70.942%0.42138%0.384SS..Hα-helixtrans-64.4-45174.600000112.2T116 V120 V121 E122T116-A118 HydrophobicContact CG2-CB 4.14Å; T116-A118 PolarHBondContact O-N 2.97Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 3.27Å; A118-V121 PolarHBondContact O-N 2.92Å; A118-E122 PolarHBondContact O-N 3.16Å
119D85.1Confident73.5Confident58 Ų5878.2 Ų78.231%0.3141%0.41SS..Hα-helixtrans-66.2-38.4-179.3-44.6-38.4000110.7L114 T116 V121 E122 Q123L114-D119 HydrophobicContact CB-CB 3.98Å; L114-D119 HydrophobicContact CD2-CB 3.75Å; L114-D119 HydrophobicContact CG-CB 4.4Å; T116-D119 WeakPolarHBondContact CB-OD2 3.39Å; T116-D119 PolarHBondContact N-OD2 3.3Å; T116-D119 VanDerWaalsContact N-OD2 3.11Å; T116-D119 PolarHBondContact O-N 3.01Å; D119-V121 VanDerWaalsContact C-N 3.34Å; D119-E122 PolarHBondContact O-N 3.37Å; D119-Q123 WeakPolarHBondContact O-CG 3.3Å; D119-Q123 PolarHBondContact O-N 3.08Å; D119-Q123 VanDerWaalsContact O-N 3.17Å
120V84.3Confident75.5Confident4 Ų478.5 Ų78.52%0.02441%0.411CS..Hα-helixtrans-60.6-45.3173.4-172.60000111.3L114 T116 A118 L124 A144 F145 F150L114-V120 HydrophobicContact CB-CB 4.49Å; L114-V120 HydrophobicContact CB-CG2 3.47Å; L114-V120 VanDerWaalsContact CB-CG2 3.47Å; L114-V120 HydrophobicContact CD1-CB 4.17Å; L114-V120 HydrophobicContact CD1-CG1 4.45Å; L114-V120 HydrophobicContact CD1-CG2 3.85Å; L114-V120 HydrophobicContact CG-CG2 4.27Å; T116-V120 PolarHBondContact O-N 3.41Å; A118-V120 VanDerWaalsContact C-N 3.32Å; A118-V120 PolarHBondContact O-N 3.27Å; V120-L124 HydrophobicContact CG1-CD1 3.99Å; V120-L124 WeakPolarHBondContact O-CB 3.35Å; V120-L124 PolarHBondContact O-N 3.37Å; V120-A144 HydrophobicContact CG2-CB 4.04Å; V120-F145 HydrophobicContact CG1-CD1 4.34Å; V120-F145 HydrophobicContact CG1-CE1 3.78Å; V120-F150 HydrophobicContact CG1-CD2 4.17Å; V120-F150 HydrophobicContact CG1-CE2 3.75Å
121V89.5Confident77.3Confident17 Ų1777.9 Ų77.910%0.10341%0.409CS..Hα-helixtrans-65.1-44.4-179.5164.70000111S117 A118 D119 Q123 L124 E125 F150 L153S117-V121 WeakPolarHBondContact O-CB 3.43Å; S117-V121 WeakPolarHBondContact O-CG2 3.18Å; S117-V121 PolarHBondContact O-N 3.45Å; S117-V121 VanDerWaalsContact O-N 3.1Å; A118-V121 PolarHBondContact O-N 2.92Å; D119-V121 VanDerWaalsContact C-N 3.34Å; V121-Q123 PolarHBondContact O-N 2.97Å; V121-L124 PolarHBondContact O-N 3.48Å; V121-E125 WeakPolarHBondContact O-CB 3.48Å; V121-E125 PolarHBondContact O-N 3.08Å; V121-F150 HydrophobicContact CG2-CB 4.26Å; V121-F150 HydrophobicContact CG2-CD2 3.95Å; V121-F150 HydrophobicContact CG2-CG 4.42Å; V121-L153 HydrophobicContact CG1-CB 4.06Å; V121-L153 HydrophobicContact CG1-CD1 4Å; V121-L153 HydrophobicContact CG1-CD2 4.42Å; V121-L153 HydrophobicContact CG1-CG 4.36Å; V121-L153 HydrophobicContact CG2-CB 4.27Å; V121-L153 HydrophobicContact CG2-CD2 4.38Å
122E87Confident79.1Confident133 Ų13377.6 Ų77.662%0.62141%0.406SS*.Hα-helixtrans-60.1-45.1178.9-175.8-178.3-17900111.9A118 D119 E125 T126A118-E122 PolarHBondContact O-N 3.16Å; D119-E122 PolarHBondContact O-N 3.37Å; E122-E125 PolarHBondContact O-N 3.14Å; E122-T126 PolarHBondContact O-N 3.3Å; E122-T126 VanDerWaalsContact O-N 3.08Å; E122-T126 PolarHBondContact O-OG1 3.18Å
123Q84.5Confident80.9Confident108 Ų10874.4 Ų74.451%0.50539%0.394SS..Hα-helixtrans-67.5-45.9178.6-70.3-165.2-8.800112.3L114 D119 V121 E125 T126 V127L114-Q123 VanDerWaalsContact CD1-OE1 3.29Å; L114-Q123 HydrophobicContact CD2-CG 4.38Å; D119-Q123 WeakPolarHBondContact O-CG 3.3Å; D119-Q123 PolarHBondContact O-N 3.08Å; D119-Q123 VanDerWaalsContact O-N 3.17Å; V121-Q123 PolarHBondContact O-N 2.97Å; Q123-E125 VanDerWaalsContact C-N 3.3Å; Q123-E125 PolarHBondContact O-N 3.37Å; Q123-T126 WeakPolarHBondContact O-CB 3.3Å; Q123-T126 PolarHBondContact O-N 2.64Å; Q123-V127 WeakPolarHBondContact O-CG2 3.47Å; Q123-V127 PolarHBondContact O-N 3.23Å; Q123-V127 VanDerWaalsContact O-N 3.12Å
124L86.1Confident82.7Confident40 Ų4069.6 Ų69.621%0.20938%0.382CS..Hα-helixtrans-64.8-37.1177.6-81.5172.4000112.2V120 V121 T126 V127 F128 F150 L153V120-L124 HydrophobicContact CG1-CD1 3.99Å; V120-L124 WeakPolarHBondContact O-CB 3.35Å; V120-L124 PolarHBondContact O-N 3.37Å; V121-L124 PolarHBondContact O-N 3.48Å; L124-T126 VanDerWaalsContact C-N 3.31Å; L124-T126 PolarHBondContact O-N 3.5Å; L124-V127 CarbonylContact O-C 3.14Å; L124-V127 PolarHBondContact O-N 3.01Å; L124-F128 HydrophobicContact CB-CZ 4.47Å; L124-F128 HydrophobicContact CD2-CE1 4.2Å; L124-F128 HydrophobicContact CD2-CZ 4.48Å; L124-F128 VanDerWaalsContact O-CD1 3.27Å; L124-F128 WeakPolarHBondContact O-CD1 3.42Å; L124-F128 VanDerWaalsContact O-CG 3.25Å; L124-F128 WeakPolarHBondContact O-CG 3.49Å; L124-F128 PolarHBondContact O-N 3.39Å; L124-F150 HydrophobicContact CD1-CE2 3.32Å; L124-F150 HydrophobicContact CD1-CZ 3.43Å; L124-F150 VanDerWaalsContact CD1-CZ 3.43Å; L124-L153 HydrophobicContact CB-CD2 4.12Å
125E86.4Confident84.4Confident39 Ų3973.5 Ų73.518%0.18241%0.407CS..Hα-helixtrans-63.1-40.1176.7-175.1146.6-124.700111.2V121 E122 Q123 V127 F128 Y129 L153 R156 W157V121-E125 WeakPolarHBondContact O-CB 3.48Å; V121-E125 PolarHBondContact O-N 3.08Å; E122-E125 PolarHBondContact O-N 3.14Å; Q123-E125 VanDerWaalsContact C-N 3.3Å; Q123-E125 PolarHBondContact O-N 3.37Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.89Å; E125-F128 PolarHBondContact O-N 2.79Å; E125-Y129 HydrophobicContact CG-CD2 3.95Å; E125-Y129 HydrophobicContact CG-CE2 3.49Å; E125-Y129 VanDerWaalsContact CG-CE2 3.49Å; E125-Y129 WeakPolarHBondContact O-CD2 3.18Å; E125-Y129 PolarHBondContact O-N 3.12Å; E125-L153 HydrophobicContact CB-CD1 3.81Å; E125-L153 HydrophobicContact CG-CD1 4.17Å; E125-R156 VanDerWaalsContact CD-NH2 3.29Å; E125-R156 IonicContact OE1-CZ 3.33Å; E125-R156 IonicContact OE1-NE 3.19Å; E125-R156 PolarHBondContact OE1-NE 2.92Å; E125-R156 IonicContact OE1-NH2 2.72Å; E125-R156 PolarHBondContact OE1-NH2 3.09Å; E125-R156 IonicContact OE2-NH2 3.17Å; E125-R156 PolarHBondContact OE2-NH2 3.28Å; E125-R156 VanDerWaalsContact OE2-NH2 3.17Å; E125-W157 HydrophobicContact CG-CZ2 4.48Å; E125-W157 PolarHBondContact OE1-NE1 2.75Å
126T85.3Confident85.8Confident73 Ų7368.1 Ų68.145%0.44838%0.382SS..Hα-helixtrans-58.3-46.3172.1-54.30000111.2E122 Q123 L124 F128 Y129 E130E122-T126 PolarHBondContact O-N 3.3Å; E122-T126 VanDerWaalsContact O-N 3.08Å; E122-T126 PolarHBondContact O-OG1 3.18Å; Q123-T126 WeakPolarHBondContact O-CB 3.3Å; Q123-T126 PolarHBondContact O-N 2.64Å; L124-T126 VanDerWaalsContact C-N 3.31Å; L124-T126 PolarHBondContact O-N 3.5Å; T126-F128 PolarHBondContact O-N 2.98Å; T126-Y129 PolarHBondContact O-N 3.16Å; T126-E130 PolarHBondContact O-N 3.35Å
127V83.4Confident86.2Confident72 Ų7266.4 Ų66.444%0.43637%0.37SS..Hα-helixtrans-63.7-39176.7176.40000111.9Q123 L124 E125 Y129 E130 C131Q123-V127 WeakPolarHBondContact O-CG2 3.47Å; Q123-V127 PolarHBondContact O-N 3.23Å; Q123-V127 VanDerWaalsContact O-N 3.12Å; L124-V127 CarbonylContact O-C 3.14Å; L124-V127 PolarHBondContact O-N 3.01Å; E125-V127 VanDerWaalsContact C-N 3.33Å; E125-V127 PolarHBondContact O-N 2.89Å; V127-Y129 VanDerWaalsContact C-N 3.33Å; V127-Y129 PolarHBondContact O-N 3.33Å; V127-E130 PolarHBondContact O-N 3.32Å; V127-C131 WeakPolarHBondContact O-CB 3.29Å; V127-C131 PolarHBondContact O-N 2.93Å
128F88.4Confident86.3Confident9 Ų969.9 Ų69.94%0.03939%0.386CS..Hα-helixtrans-69-31.3179.2-68.8-1000112.2L124 E125 T126 G132 A133 P134 L153 W157 V159L124-F128 HydrophobicContact CB-CZ 4.47Å; L124-F128 HydrophobicContact CD2-CE1 4.2Å; L124-F128 HydrophobicContact CD2-CZ 4.48Å; L124-F128 VanDerWaalsContact O-CD1 3.27Å; L124-F128 WeakPolarHBondContact O-CD1 3.42Å; L124-F128 VanDerWaalsContact O-CG 3.25Å; L124-F128 WeakPolarHBondContact O-CG 3.49Å; L124-F128 PolarHBondContact O-N 3.39Å; E125-F128 PolarHBondContact O-N 2.79Å; T126-F128 PolarHBondContact O-N 2.98Å; F128-G132 CarbonylContact O-C 3.59Å; F128-G132 VanDerWaalsContact O-C 3.29Å; F128-G132 WeakPolarHBondContact O-CA 3.44Å; F128-G132 PolarHBondContact O-N 3.18Å; F128-A133 HydrophobicContact CB-CB 4.36Å; F128-A133 HydrophobicContact CD2-CB 4.07Å; F128-A133 HydrophobicContact CG-CB 4.14Å; F128-P134 HydrophobicContact CE1-CG 3.97Å; F128-P134 HydrophobicContact CZ-CG 4.17Å; F128-L153 HydrophobicContact CE2-CD2 3.92Å; F128-L153 HydrophobicContact CE2-CG 4.3Å; F128-W157 HydrophobicContact CB-CD2 4.21Å; F128-W157 HydrophobicContact CB-CE3 4.33Å; F128-W157 HydrophobicContact CB-CH2 4.14Å; F128-W157 HydrophobicContact CB-CZ2 4.04Å; F128-W157 HydrophobicContact CB-CZ3 4.28Å; F128-W157 HydrophobicContact CD2-CB 4.27Å; F128-W157 AromaticContact CD2-CD1 3.92Å; F128-W157 HydrophobicContact CD2-CD2 4.07Å; F128-W157 AromaticContact CD2-CG 3.85Å; F128-W157 HydrophobicContact CD2-CG 3.85Å; F128-W157 HydrophobicContact CE2-CG 4.5Å; F128-V159 HydrophobicContact CE2-CG2 4.01Å; F128-V159 HydrophobicContact CZ-CG2 4.38Å
129Y85.4Confident86.2Confident165 Ų16568.1 Ų68.165%0.64737%0.37SS*.Hα-helixtrans-68.2-39171.6-79.3-63000112.6E125 T126 V127 W157E125-Y129 HydrophobicContact CG-CD2 3.95Å; E125-Y129 HydrophobicContact CG-CE2 3.49Å; E125-Y129 VanDerWaalsContact CG-CE2 3.49Å; E125-Y129 WeakPolarHBondContact O-CD2 3.18Å; E125-Y129 PolarHBondContact O-N 3.12Å; T126-Y129 PolarHBondContact O-N 3.16Å; V127-Y129 VanDerWaalsContact C-N 3.33Å; V127-Y129 PolarHBondContact O-N 3.33Å; Y129-W157 AromaticContact CD1-CH2 3.68Å; Y129-W157 HydrophobicContact CD1-CH2 3.68Å; Y129-W157 HydrophobicContact CD1-CZ2 4.05Å; Y129-W157 HydrophobicContact CD2-CZ2 4.29Å; Y129-W157 AromaticContact CE1-CH2 3.7Å; Y129-W157 HydrophobicContact CE1-CH2 3.7Å; Y129-W157 AromaticContact CE1-CZ2 3.79Å; Y129-W157 HydrophobicContact CE1-CZ2 3.79Å; Y129-W157 HydrophobicContact CE2-CZ2 4.06Å; Y129-W157 HydrophobicContact CG-CH2 4.14Å; Y129-W157 HydrophobicContact CG-CZ2 4.27Å; Y129-W157 AromaticContact CZ-CZ2 3.78Å
130E85.5Confident85.8Confident156 Ų15669.5 Ų69.573%0.72938%0.377SS*.Hα-helixtrans-77.4-44.5-178-69.9-177.3176.500113T126 V127T126-E130 PolarHBondContact O-N 3.35Å; V127-E130 PolarHBondContact O-N 3.32Å
131C86Confident85.4Confident107 Ų10772.4 Ų72.472%0.72339%0.393SS*.Hα-helixtrans-105.6-9.3-170.9-65.30000113.6V127V127-C131 WeakPolarHBondContact O-CB 3.29Å; V127-C131 PolarHBondContact O-N 2.93Å
132G83.8Confident84.9Confident40 Ų4075.2 Ų75.241%0.41241%0.407SS..  trans82.3156.5-164.900000112.3F128F128-G132 CarbonylContact O-C 3.59Å; F128-G132 VanDerWaalsContact O-C 3.29Å; F128-G132 WeakPolarHBondContact O-CA 3.44Å; F128-G132 PolarHBondContact O-N 3.18Å
133A87.7Confident84.6Confident35 Ų3574.5 Ų74.529%0.28941%0.412SS..  trans-77.1136.2175.800000111.4F128 W157 V159F128-A133 HydrophobicContact CB-CB 4.36Å; F128-A133 HydrophobicContact CD2-CB 4.07Å; F128-A133 HydrophobicContact CG-CB 4.14Å; A133-W157 HydrophobicContact CB-CB 3.74Å; A133-W157 HydrophobicContact CB-CD2 4.02Å; A133-W157 HydrophobicContact CB-CE3 3.53Å; A133-W157 HydrophobicContact CB-CG 4.17Å; A133-W157 HydrophobicContact CB-CZ3 4.35Å; A133-V159 HydrophobicContact CB-CG2 3.97Å
134P88.4Confident84.5Confident47 Ų4770 Ų7031%0.30539%0.393SS..  trans-71.114817530.1-34.2000111F128 E136 V159F128-P134 HydrophobicContact CE1-CG 3.97Å; F128-P134 HydrophobicContact CZ-CG 4.17Å; P134-E136 PolarHBondContact O-N 3.09Å; P134-V159 HydrophobicContact CG-CG1 4.3Å; P134-V159 WeakPolarHBondContact O-CG2 3.39Å
135V89Confident84.6Confident112 Ų11269.7 Ų69.768%0.67939%0.39SS*.SBendtrans-64.2-29.7176.2-179.10000111.9R160V135-R160 WeakPolarHBondContact O-CB 3.28Å; V135-R160 PolarHBondContact O-N 3.34Å
136E89.1Confident84.6Confident65 Ų6572.5 Ų72.530%0.30440%0.399SS..EExtended strand (participates in β ladder)trans-148.3136.2-178-179.8155.3-123.200110.5P134 R160 R162P134-E136 PolarHBondContact O-N 3.09Å; E136-R160 CarbonylContact C-O 3.6Å; E136-R160 VanDerWaalsContact CA-O 3.27Å; E136-R160 WeakPolarHBondContact CA-O 3.33Å; E136-R160 HydrophobicContact CB-CB 4.4Å; E136-R160 HydrophobicContact CG-CB 4.48Å; E136-R160 IonicContact OE1-CZ 3.09Å; E136-R160 IonicContact OE1-NE 3.75Å; E136-R160 PolarHBondContact OE1-NE 3.21Å; E136-R160 IonicContact OE1-NH2 3.27Å; E136-R160 PolarHBondContact OE1-NH2 3.49Å; E136-R160 IonicContact OE2-CZ 3.84Å; E136-R160 IonicContact OE2-NE 2.86Å; E136-R160 IonicContact OE2-NH2 3.4Å; E136-R160 PolarHBondContact OE2-NH2 2.81Å; E136-R162 HydrophobicContact CG-CG 4.23Å; E136-R162 WeakPolarHBondContact OE1-CD 3.22Å; E136-R162 VanDerWaalsContact OE1-CG 3.3Å; E136-R162 WeakPolarHBondContact OE1-CG 3.43Å; E136-R162 IonicContact OE1-CZ 3.91Å; E136-R162 IonicContact OE1-NE 2.79Å; E136-R162 PolarHBondContact OE1-NE 3.18Å; E136-R162 IonicContact OE1-NH2 3.39Å; E136-R162 PolarHBondContact OE1-NH2 3.07Å; E136-R162 IonicContact OE2-CZ 3.2Å; E136-R162 IonicContact OE2-NH2 3.23Å; E136-R162 PolarHBondContact OE2-NH2 3.33Å
137L86.7Confident84.8Confident39 Ų3970 Ų7020%0.20438%0.384CS..EExtended strand (participates in β ladder)trans-124.8118.3179.5-174.166.2000109.9T139 F150 V159 R160 M161 R162L137-T139 HydrophobicContact CD2-CG2 4.04Å; L137-T139 HydrophobicContact CG-CG2 3.92Å; L137-F150 HydrophobicContact CD2-CE1 4.15Å; L137-F150 HydrophobicContact CD2-CZ 3.87Å; L137-V159 HydrophobicContact CB-CG1 3.6Å; L137-R160 PolarHBondContact N-O 3.14Å; L137-M161 HydrophobicContact CB-SD 4.11Å; L137-M161 HydrophobicContact CD2-CE 4.42Å; L137-M161 HydrophobicContact CD2-SD 4.23Å; L137-R162 PolarHBondContact O-N 3.15Å
138L85.2Confident85.2Confident98 Ų9874.5 Ų74.551%0.51340%0.398SS..EExtended strand (participates in β ladder)trans-92.5117.4174.6177.164.5000109.5R162 I170L138-R162 WeakPolarHBondContact CA-O 3.39Å; L138-R162 HydrophobicContact CD1-CB 3.82Å; L138-I170 HydrophobicContact CD1-CD1 4.08Å; L138-I170 HydrophobicContact CD2-CD1 3.78Å
139T83Confident85.4Confident14 Ų1476.7 Ų76.79%0.08641%0.413CS..EExtended strand (participates in β ladder)trans-120.2166.7176.268.30000111.1L137 F145 M161 R162 F163 S164L137-T139 HydrophobicContact CD2-CG2 4.04Å; L137-T139 HydrophobicContact CG-CG2 3.92Å; T139-F145 HydrophobicContact CG2-CB 4.31Å; T139-F145 HydrophobicContact CG2-CD1 3.85Å; T139-F145 HydrophobicContact CG2-CE1 4.33Å; T139-F145 HydrophobicContact CG2-CG 4.02Å; T139-M161 HydrophobicContact CG2-CE 3.71Å; T139-R162 PolarHBondContact N-O 3.2Å; T139-F163 WeakPolarHBondContact O-CA 3.42Å; T139-F163 WeakPolarHBondContact OG1-CD1 3.44Å; T139-F163 VanDerWaalsContact OG1-CE1 3.29Å; T139-F163 WeakPolarHBondContact OG1-CE1 3.06Å; T139-S164 PolarHBondContact O-N 3.38Å
140D78.1Confident85.7Confident87 Ų8768.9 Ų68.947%0.46538%0.382SS..  trans-75.8179.6164.467.421.3000110.6D142 F145 F163D140-D142 PolarHBondContact O-N 2.84Å; D140-D142 WeakPolarHBondContact OD1-CB 3.38Å; D140-D142 PolarHBondContact OD1-N 3.08Å; D140-F145 WeakPolarHBondContact OD1-CD2 3.26Å; D140-F145 VanDerWaalsContact OD1-CE2 3.32Å; D140-F145 WeakPolarHBondContact OD1-CE2 3.17Å; D140-F163 WeakPolarHBondContact O-CD1 3.38Å
141N75Confident86Confident65 Ų6564.1 Ų64.135%0.34837%0.369SS..SBendtrans-84.620178.4-91.30.8000113.4R146 F163 R165N141-R146 PolarHBondContact OD1-NE 2.93Å; N141-R146 VanDerWaalsContact OD1-NE 3.15Å; N141-R146 PolarHBondContact OD1-NH2 3.38Å; N141-F163 VanDerWaalsContact OD1-CB 3.28Å; N141-F163 WeakPolarHBondContact OD1-CB 3Å; N141-R165 WeakPolarHBondContact ND2-CB 3.23Å
142D79.3Confident86.4Confident76 Ų7664 Ų6441%0.40636%0.358SS..  trans-59.3143.3178.7-168.2-83.6000111D140 A144 F145 R146D140-D142 PolarHBondContact O-N 2.84Å; D140-D142 WeakPolarHBondContact OD1-CB 3.38Å; D140-D142 PolarHBondContact OD1-N 3.08Å; D142-A144 PolarHBondContact O-N 3.2Å; D142-A144 VanDerWaalsContact O-N 3.11Å; D142-A144 WeakPolarHBondContact OD1-CB 3.48Å; D142-A144 PolarHBondContact OD1-N 2.82Å; D142-F145 HydrophobicContact CB-CD2 3.72Å; D142-F145 HydrophobicContact CB-CE2 4.07Å; D142-F145 PolarHBondContact O-N 3.43Å; D142-R146 PolarHBondContact O-N 3.09Å
143T80Confident86.8Confident118 Ų11862.1 Ų62.172%0.72434%0.338SS*.THydrogen-bonded Turntrans-52.9-30.7178.6-0.70000112.9S147T143-S147 PolarHBondContact O-N 3.03Å; T143-S147 VanDerWaalsContact O-N 3.14Å
144A83.1Confident87Confident13 Ų1360.7 Ų60.711%0.10733%0.326CS..THydrogen-bonded Turntrans-67.3-42.917700000112.4S117 V120 D142 S147 F150S117-A144 WeakPolarHBondContact CB-O 3.01Å; V120-A144 HydrophobicContact CG2-CB 4.04Å; D142-A144 PolarHBondContact O-N 3.2Å; D142-A144 VanDerWaalsContact O-N 3.11Å; D142-A144 WeakPolarHBondContact OD1-CB 3.48Å; D142-A144 PolarHBondContact OD1-N 2.82Å; A144-S147 WeakPolarHBondContact O-CB 3.49Å; A144-S147 PolarHBondContact O-N 2.85Å; A144-S147 PolarHBondContact O-OG 3.31Å; A144-S147 VanDerWaalsContact O-OG 3.12Å; A144-F150 WeakPolarHBondContact O-CB 3.49Å
145F87.1Confident87.2Confident34 Ų3462.1 Ų62.115%0.14934%0.343CS..THydrogen-bonded Turntrans-78.7-23.3178-54.8-64.6000112.9L112 V120 T139 D140 D142 S147 F150 F163L112-F145 HydrophobicContact CD1-CZ 4.1Å; V120-F145 HydrophobicContact CG1-CD1 4.34Å; V120-F145 HydrophobicContact CG1-CE1 3.78Å; T139-F145 HydrophobicContact CG2-CB 4.31Å; T139-F145 HydrophobicContact CG2-CD1 3.85Å; T139-F145 HydrophobicContact CG2-CE1 4.33Å; T139-F145 HydrophobicContact CG2-CG 4.02Å; D140-F145 WeakPolarHBondContact OD1-CD2 3.26Å; D140-F145 VanDerWaalsContact OD1-CE2 3.32Å; D140-F145 WeakPolarHBondContact OD1-CE2 3.17Å; D142-F145 HydrophobicContact CB-CD2 3.72Å; D142-F145 HydrophobicContact CB-CE2 4.07Å; D142-F145 PolarHBondContact O-N 3.43Å; F145-S147 VanDerWaalsContact C-N 3.31Å; F145-F150 HydrophobicContact CD1-CD2 4.02Å; F145-F150 HydrophobicContact CD1-CE1 4.42Å; F145-F150 AromaticContact CD1-CE2 3.47Å; F145-F150 HydrophobicContact CD1-CE2 3.47Å; F145-F150 VanDerWaalsContact CD1-CE2 3.47Å; F145-F150 AromaticContact CD1-CZ 3.71Å; F145-F150 HydrophobicContact CD1-CZ 3.71Å; F145-F150 HydrophobicContact CE1-CE2 4.01Å; F145-F150 HydrophobicContact CE1-CZ 4.36Å; F145-F163 HydrophobicContact CB-CE1 4.33Å
146R86.5Confident87.4Confident97 Ų9763.5 Ų63.537%0.36634%0.335SS..THydrogen-bonded Turntrans-86.51.7173.4-69.5-69.3-171.3162.16.6113.5N141 D142 F163 E166N141-R146 PolarHBondContact OD1-NE 2.93Å; N141-R146 VanDerWaalsContact OD1-NE 3.15Å; N141-R146 PolarHBondContact OD1-NH2 3.38Å; D142-R146 PolarHBondContact O-N 3.09Å; R146-F163 VanDerWaalsContact CD-CE1 3.43Å; R146-F163 HydrophobicContact CG-CD1 4.5Å; R146-F163 HydrophobicContact CG-CE1 4.02Å; R146-F163 HydrophobicContact CG-CZ 4.48Å; R146-F163 VanDerWaalsContact CZ-CE2 3.49Å; R146-F163 VanDerWaalsContact NE-CE1 3.29Å; R146-F163 VanDerWaalsContact NH1-CD2 3.26Å; R146-F163 VanDerWaalsContact NH1-CE2 3.31Å; R146-F163 VanDerWaalsContact NH2-CD2 3.33Å; R146-E166 IonicContact CZ-OE1 3.27Å; R146-E166 VanDerWaalsContact CZ-OE1 3.26Å; R146-E166 IonicContact NH1-OE1 2.74Å; R146-E166 PolarHBondContact NH1-OE1 3.16Å; R146-E166 VanDerWaalsContact NH2-CD 3.31Å; R146-E166 IonicContact NH2-OE1 3.79Å; R146-E166 PolarHBondContact NH2-OE1 2.96Å; R146-E166 IonicContact NH2-OE2 2.8Å
147S89.5Confident87.7Confident20 Ų2063.4 Ų63.414%0.1433%0.333CS..SBendtrans-72157.4-177.684.60000111.9S117 T143 A144 F145 T149 F150 A151S117-S147 VanDerWaalsContact CB-CB 3.5Å; S117-S147 WeakPolarHBondContact CB-OG 3.42Å; S117-S147 PolarHBondContact OG-OG 3.04Å; T143-S147 PolarHBondContact O-N 3.03Å; T143-S147 VanDerWaalsContact O-N 3.14Å; A144-S147 WeakPolarHBondContact O-CB 3.49Å; A144-S147 PolarHBondContact O-N 2.85Å; A144-S147 PolarHBondContact O-OG 3.31Å; A144-S147 VanDerWaalsContact O-OG 3.12Å; F145-S147 VanDerWaalsContact C-N 3.31Å; S147-T149 VanDerWaalsContact C-N 3.28Å; S147-T149 PolarHBondContact O-N 2.99Å; S147-T149 PolarHBondContact OG-N 3.08Å; S147-T149 PolarHBondContact OG-OG1 3.23Å; S147-F150 PolarHBondContact O-N 3.32Å; S147-F150 WeakPolarHBondContact OG-CB 3.47Å; S147-F150 PolarHBondContact OG-N 3.24Å; S147-A151 PolarHBondContact O-N 3.48Å
148K92.3Very high88Confident168 Ų16868.6 Ų68.673%0.7336%0.36SS*.Hα-helixtrans-63.3-35.5173.2-172178.5179.4-178.60112.1A151 Q152K148-A151 PolarHBondContact O-N 3.2Å; K148-Q152 VanDerWaalsContact O-CG 3.28Å; K148-Q152 WeakPolarHBondContact O-CG 3.07Å; K148-Q152 PolarHBondContact O-N 3.11Å
149T92.6Very high88.4Confident55 Ų5564.4 Ų64.434%0.33734%0.339SS..Hα-helixtrans-65.7-41.1178.445.60000111.4S117 S147 Q152 L153S117-T149 WeakPolarHBondContact CB-OG1 3.38Å; S117-T149 PolarHBondContact OG-OG1 3.29Å; S147-T149 VanDerWaalsContact C-N 3.28Å; S147-T149 PolarHBondContact O-N 2.99Å; S147-T149 PolarHBondContact OG-N 3.08Å; S147-T149 PolarHBondContact OG-OG1 3.23Å; T149-Q152 WeakPolarHBondContact O-CB 3.13Å; T149-Q152 PolarHBondContact O-N 2.93Å; T149-L153 PolarHBondContact O-N 3.24Å; T149-L153 VanDerWaalsContact O-N 3.09Å
150F91.9Very high88.8Confident1 Ų169.9 Ų69.90%0.00436%0.358CS..Hα-helixtrans-66.9-42.6175.9-159.6-77.6000111.6V120 V121 L124 L137 A144 F145 S147 Q152 L153 A154 M161V120-F150 HydrophobicContact CG1-CD2 4.17Å; V120-F150 HydrophobicContact CG1-CE2 3.75Å; V121-F150 HydrophobicContact CG2-CB 4.26Å; V121-F150 HydrophobicContact CG2-CD2 3.95Å; V121-F150 HydrophobicContact CG2-CG 4.42Å; L124-F150 HydrophobicContact CD1-CE2 3.32Å; L124-F150 HydrophobicContact CD1-CZ 3.43Å; L124-F150 VanDerWaalsContact CD1-CZ 3.43Å; L137-F150 HydrophobicContact CD2-CE1 4.15Å; L137-F150 HydrophobicContact CD2-CZ 3.87Å; A144-F150 WeakPolarHBondContact O-CB 3.49Å; F145-F150 HydrophobicContact CD1-CD2 4.02Å; F145-F150 HydrophobicContact CD1-CE1 4.42Å; F145-F150 AromaticContact CD1-CE2 3.47Å; F145-F150 HydrophobicContact CD1-CE2 3.47Å; F145-F150 VanDerWaalsContact CD1-CE2 3.47Å; F145-F150 AromaticContact CD1-CZ 3.71Å; F145-F150 HydrophobicContact CD1-CZ 3.71Å; F145-F150 HydrophobicContact CE1-CE2 4.01Å; F145-F150 HydrophobicContact CE1-CZ 4.36Å; S147-F150 PolarHBondContact O-N 3.32Å; S147-F150 WeakPolarHBondContact OG-CB 3.47Å; S147-F150 PolarHBondContact OG-N 3.24Å; F150-Q152 VanDerWaalsContact C-N 3.26Å; F150-Q152 PolarHBondContact O-N 3.01Å; F150-L153 WeakPolarHBondContact O-CB 3.19Å; F150-L153 PolarHBondContact O-N 3.2Å; F150-A154 PolarHBondContact O-N 3.5Å; F150-M161 HydrophobicContact CD1-CE 3.91Å; F150-M161 HydrophobicContact CD1-SD 4.27Å; F150-M161 HydrophobicContact CE1-CE 3.36Å; F150-M161 HydrophobicContact CE1-SD 3.67Å; F150-M161 HydrophobicContact CZ-CE 4.32Å
151A91.5Very high89.3Confident55 Ų5567.9 Ų67.946%0.45535%0.346SS..Hα-helixtrans-60.8-34.9174.700000112.6S147 K148 A155S147-A151 PolarHBondContact O-N 3.48Å; K148-A151 PolarHBondContact O-N 3.2Å; A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3Å
152Q94.3Very high89.9Confident104 Ų10468.9 Ų68.949%0.48635%0.345SS..Hα-helixtrans-68.5-40.5174.9-75.9171.4-16.300112.7K148 T149 F150 R156K148-Q152 VanDerWaalsContact O-CG 3.28Å; K148-Q152 WeakPolarHBondContact O-CG 3.07Å; K148-Q152 PolarHBondContact O-N 3.11Å; T149-Q152 WeakPolarHBondContact O-CB 3.13Å; T149-Q152 PolarHBondContact O-N 2.93Å; F150-Q152 VanDerWaalsContact C-N 3.26Å; F150-Q152 PolarHBondContact O-N 3.01Å; Q152-R156 WeakPolarHBondContact O-CB 3.45Å; Q152-R156 PolarHBondContact O-N 2.81Å
153L92Very high90.1Very high1 Ų166.2 Ų66.21%0.00533%0.33CS..Hα-helixtrans-59.1-52.8171.5175.587.2000109.9V121 L124 E125 F128 T149 F150 A155 R156 W157V121-L153 HydrophobicContact CG1-CB 4.06Å; V121-L153 HydrophobicContact CG1-CD1 4Å; V121-L153 HydrophobicContact CG1-CD2 4.42Å; V121-L153 HydrophobicContact CG1-CG 4.36Å; V121-L153 HydrophobicContact CG2-CB 4.27Å; V121-L153 HydrophobicContact CG2-CD2 4.38Å; L124-L153 HydrophobicContact CB-CD2 4.12Å; E125-L153 HydrophobicContact CB-CD1 3.81Å; E125-L153 HydrophobicContact CG-CD1 4.17Å; F128-L153 HydrophobicContact CE2-CD2 3.92Å; F128-L153 HydrophobicContact CE2-CG 4.3Å; T149-L153 PolarHBondContact O-N 3.24Å; T149-L153 VanDerWaalsContact O-N 3.09Å; F150-L153 WeakPolarHBondContact O-CB 3.19Å; F150-L153 PolarHBondContact O-N 3.2Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.88Å; L153-R156 PolarHBondContact O-N 3.34Å; L153-R156 VanDerWaalsContact O-N 3.1Å; L153-W157 VanDerWaalsContact O-CD1 3.32Å; L153-W157 PolarHBondContact O-N 3.13Å; L153-W157 VanDerWaalsContact O-N 3.1Å
154A92.5Very high89.5Confident5 Ų563.5 Ų63.54%0.04132%0.316CS..Hα-helixtrans-57.8-43.3-178.500000111.8F150 W157 D158 V159 M161F150-A154 PolarHBondContact O-N 3.5Å; A154-W157 PolarHBondContact O-N 3.18Å; A154-D158 PolarHBondContact O-N 2.89Å; A154-V159 HydrophobicContact CB-CB 4.27Å; A154-V159 PolarHBondContact O-N 2.86Å; A154-M161 HydrophobicContact CB-CG 3.67Å; A154-M161 HydrophobicContact CB-SD 3.85Å
155A93.2Very high88.3Confident78 Ų7872.7 Ų72.765%0.64535%0.348SS*.Hα-helixtrans-66.6-36.9176.400000113.3A151 L153 W157 D158A151-A155 WeakPolarHBondContact O-CB 3.38Å; A151-A155 PolarHBondContact O-N 3Å; L153-A155 VanDerWaalsContact C-N 3.3Å; L153-A155 PolarHBondContact O-N 2.88Å; A155-W157 VanDerWaalsContact C-N 3.28Å; A155-W157 PolarHBondContact O-N 3.42Å; A155-D158 PolarHBondContact O-N 2.95Å
156R93.2Very high86.9Confident140 Ų14077.5 Ų77.553%0.52837%0.37SS..Hα-helixtrans-64.3-35.1177.8174.7168.659.4-1197.2112.1E125 Q152 L153E125-R156 VanDerWaalsContact CD-NH2 3.29Å; E125-R156 IonicContact OE1-CZ 3.33Å; E125-R156 IonicContact OE1-NE 3.19Å; E125-R156 PolarHBondContact OE1-NE 2.92Å; E125-R156 IonicContact OE1-NH2 2.72Å; E125-R156 PolarHBondContact OE1-NH2 3.09Å; E125-R156 IonicContact OE2-NH2 3.17Å; E125-R156 PolarHBondContact OE2-NH2 3.28Å; E125-R156 VanDerWaalsContact OE2-NH2 3.17Å; Q152-R156 WeakPolarHBondContact O-CB 3.45Å; Q152-R156 PolarHBondContact O-N 2.81Å; L153-R156 PolarHBondContact O-N 3.34Å; L153-R156 VanDerWaalsContact O-N 3.1Å
157W94Very high85.2Confident64 Ų6475.9 Ų75.924%0.24237%0.367CS..THydrogen-bonded Turntrans-99.76.2-177.6-71.798.2000113.6E125 F128 Y129 A133 L153 A154 A155 V159E125-W157 HydrophobicContact CG-CZ2 4.48Å; E125-W157 PolarHBondContact OE1-NE1 2.75Å; F128-W157 HydrophobicContact CB-CD2 4.21Å; F128-W157 HydrophobicContact CB-CE3 4.33Å; F128-W157 HydrophobicContact CB-CH2 4.14Å; F128-W157 HydrophobicContact CB-CZ2 4.04Å; F128-W157 HydrophobicContact CB-CZ3 4.28Å; F128-W157 HydrophobicContact CD2-CB 4.27Å; F128-W157 AromaticContact CD2-CD1 3.92Å; F128-W157 HydrophobicContact CD2-CD2 4.07Å; F128-W157 AromaticContact CD2-CG 3.85Å; F128-W157 HydrophobicContact CD2-CG 3.85Å; F128-W157 HydrophobicContact CE2-CG 4.5Å; Y129-W157 AromaticContact CD1-CH2 3.68Å; Y129-W157 HydrophobicContact CD1-CH2 3.68Å; Y129-W157 HydrophobicContact CD1-CZ2 4.05Å; Y129-W157 HydrophobicContact CD2-CZ2 4.29Å; Y129-W157 AromaticContact CE1-CH2 3.7Å; Y129-W157 HydrophobicContact CE1-CH2 3.7Å; Y129-W157 AromaticContact CE1-CZ2 3.79Å; Y129-W157 HydrophobicContact CE1-CZ2 3.79Å; Y129-W157 HydrophobicContact CE2-CZ2 4.06Å; Y129-W157 HydrophobicContact CG-CH2 4.14Å; Y129-W157 HydrophobicContact CG-CZ2 4.27Å; Y129-W157 AromaticContact CZ-CZ2 3.78Å; A133-W157 HydrophobicContact CB-CB 3.74Å; A133-W157 HydrophobicContact CB-CD2 4.02Å; A133-W157 HydrophobicContact CB-CE3 3.53Å; A133-W157 HydrophobicContact CB-CG 4.17Å; A133-W157 HydrophobicContact CB-CZ3 4.35Å; L153-W157 VanDerWaalsContact O-CD1 3.32Å; L153-W157 PolarHBondContact O-N 3.13Å; L153-W157 VanDerWaalsContact O-N 3.1Å; A154-W157 PolarHBondContact O-N 3.18Å; A155-W157 VanDerWaalsContact C-N 3.28Å; A155-W157 PolarHBondContact O-N 3.42Å; W157-V159 HydrophobicContact CB-CG2 3.73Å; W157-V159 PolarHBondContact O-N 2.76Å
158D94.4Very high83.2Confident147 Ų14778.2 Ų78.279%0.78639%0.394SS*.THydrogen-bonded Turntrans51.836.6-175-16035.4000113.9A154 A155A154-D158 PolarHBondContact O-N 2.89Å; A155-D158 PolarHBondContact O-N 2.95Å
159V93.2Very high81.2Confident10 Ų1073.5 Ų73.56%0.06138%0.377CS..PPolyproline II helixtrans-85.1120.1178.1-176.60000109.3F128 A133 P134 L137 A154 W157 M161F128-V159 HydrophobicContact CE2-CG2 4.01Å; F128-V159 HydrophobicContact CZ-CG2 4.38Å; A133-V159 HydrophobicContact CB-CG2 3.97Å; P134-V159 HydrophobicContact CG-CG1 4.3Å; P134-V159 WeakPolarHBondContact O-CG2 3.39Å; L137-V159 HydrophobicContact CB-CG1 3.6Å; A154-V159 HydrophobicContact CB-CB 4.27Å; A154-V159 PolarHBondContact O-N 2.86Å; W157-V159 HydrophobicContact CB-CG2 3.73Å; W157-V159 PolarHBondContact O-N 2.76Å; V159-M161 HydrophobicContact CG1-SD 4.43Å; V159-M161 PolarHBondContact O-N 3.27Å
160R91.4Very high79.3Confident130 Ų13073.9 Ų73.949%0.49138%0.376SS..EExtended strand (participates in β ladder)trans-74.8118.2173.1-172.7168.162.2-121.2-2.1110.5V135 E136 L137V135-R160 WeakPolarHBondContact O-CB 3.28Å; V135-R160 PolarHBondContact O-N 3.34Å; E136-R160 CarbonylContact C-O 3.6Å; E136-R160 VanDerWaalsContact CA-O 3.27Å; E136-R160 WeakPolarHBondContact CA-O 3.33Å; E136-R160 HydrophobicContact CB-CB 4.4Å; E136-R160 HydrophobicContact CG-CB 4.48Å; E136-R160 IonicContact OE1-CZ 3.09Å; E136-R160 IonicContact OE1-NE 3.75Å; E136-R160 PolarHBondContact OE1-NE 3.21Å; E136-R160 IonicContact OE1-NH2 3.27Å; E136-R160 PolarHBondContact OE1-NH2 3.49Å; E136-R160 IonicContact OE2-CZ 3.84Å; E136-R160 IonicContact OE2-NE 2.86Å; E136-R160 IonicContact OE2-NH2 3.4Å; E136-R160 PolarHBondContact OE2-NH2 2.81Å; L137-R160 PolarHBondContact N-O 3.14Å
161M89.2Confident77.5Confident44 Ų4480 Ų8022%0.21741%0.409CS..EExtended strand (participates in β ladder)trans-82.5132.1178.1-67-57.2-60.800111.8L137 T139 F150 A154 V159 F163L137-M161 HydrophobicContact CB-SD 4.11Å; L137-M161 HydrophobicContact CD2-CE 4.42Å; L137-M161 HydrophobicContact CD2-SD 4.23Å; T139-M161 HydrophobicContact CG2-CE 3.71Å; F150-M161 HydrophobicContact CD1-CE 3.91Å; F150-M161 HydrophobicContact CD1-SD 4.27Å; F150-M161 HydrophobicContact CE1-CE 3.36Å; F150-M161 HydrophobicContact CE1-SD 3.67Å; F150-M161 HydrophobicContact CZ-CE 4.32Å; A154-M161 HydrophobicContact CB-CG 3.67Å; A154-M161 HydrophobicContact CB-SD 3.85Å; V159-M161 HydrophobicContact CG1-SD 4.43Å; V159-M161 PolarHBondContact O-N 3.27Å; M161-F163 HydrophobicContact CB-CE2 4.09Å; M161-F163 HydrophobicContact CB-CZ 4.27Å; M161-F163 HydrophobicContact CE-CE1 4.32Å; M161-F163 HydrophobicContact CE-CZ 4.18Å
162R86.4Confident75.7Confident86 Ų8686.8 Ų86.833%0.32542%0.423SS..EExtended strand (participates in β ladder)trans-123.3145.9165.1-69.8-150-174161.125.1111.2E136 L137 L138 T139 E167E136-R162 HydrophobicContact CG-CG 4.23Å; E136-R162 WeakPolarHBondContact OE1-CD 3.22Å; E136-R162 VanDerWaalsContact OE1-CG 3.3Å; E136-R162 WeakPolarHBondContact OE1-CG 3.43Å; E136-R162 IonicContact OE1-CZ 3.91Å; E136-R162 IonicContact OE1-NE 2.79Å; E136-R162 PolarHBondContact OE1-NE 3.18Å; E136-R162 IonicContact OE1-NH2 3.39Å; E136-R162 PolarHBondContact OE1-NH2 3.07Å; E136-R162 IonicContact OE2-CZ 3.2Å; E136-R162 IonicContact OE2-NH2 3.23Å; E136-R162 PolarHBondContact OE2-NH2 3.33Å; L137-R162 PolarHBondContact O-N 3.15Å; L138-R162 WeakPolarHBondContact CA-O 3.39Å; L138-R162 HydrophobicContact CD1-CB 3.82Å; T139-R162 PolarHBondContact N-O 3.2Å; R162-E167 VanDerWaalsContact CD-OE1 3.23Å; R162-E167 WeakPolarHBondContact CD-OE1 3.18Å; R162-E167 IonicContact CZ-OE1 2.64Å; R162-E167 IonicContact NE-OE1 3.43Å; R162-E167 PolarHBondContact NE-OE1 3.24Å; R162-E167 IonicContact NH1-OE1 3.71Å; R162-E167 PolarHBondContact NH1-OE1 3.3Å; R162-E167 IonicContact NH1-OE2 2.82Å
163F83.2Confident74Confident21 Ų2190 Ų909%0.09243%0.43CS..EExtended strand (participates in β ladder)trans-119.9127.3-179-63.9-78000110.9T139 D140 N141 F145 R146 M161 R165 E166 E167T139-F163 WeakPolarHBondContact O-CA 3.42Å; T139-F163 WeakPolarHBondContact OG1-CD1 3.44Å; T139-F163 VanDerWaalsContact OG1-CE1 3.29Å; T139-F163 WeakPolarHBondContact OG1-CE1 3.06Å; D140-F163 WeakPolarHBondContact O-CD1 3.38Å; N141-F163 VanDerWaalsContact OD1-CB 3.28Å; N141-F163 WeakPolarHBondContact OD1-CB 3Å; F145-F163 HydrophobicContact CB-CE1 4.33Å; R146-F163 VanDerWaalsContact CD-CE1 3.43Å; R146-F163 HydrophobicContact CG-CD1 4.5Å; R146-F163 HydrophobicContact CG-CE1 4.02Å; R146-F163 HydrophobicContact CG-CZ 4.48Å; R146-F163 VanDerWaalsContact CZ-CE2 3.49Å; R146-F163 VanDerWaalsContact NE-CE1 3.29Å; R146-F163 VanDerWaalsContact NH1-CD2 3.26Å; R146-F163 VanDerWaalsContact NH1-CE2 3.31Å; R146-F163 VanDerWaalsContact NH2-CD2 3.33Å; M161-F163 HydrophobicContact CB-CE2 4.09Å; M161-F163 HydrophobicContact CB-CZ 4.27Å; M161-F163 HydrophobicContact CE-CE1 4.32Å; M161-F163 HydrophobicContact CE-CZ 4.18Å; F163-R165 PolarHBondContact O-N 2.86Å; F163-E166 HydrophobicContact CB-CB 4.4Å; F163-E166 PolarHBondContact O-N 2.87Å; F163-E167 PolarHBondContact O-N 3.12Å; F163-E167 VanDerWaalsContact O-N 3.12Å
164S67.4Low72.9Confident60 Ų6092.5 Ų92.542%0.4245%0.451SS..THydrogen-bonded Turntrans-52.4-29.5-177.1171.90000113.9T139 E167T139-S164 PolarHBondContact O-N 3.38Å; S164-E167 CarbonylContact O-C 3.22Å
165R59.4Low71.7Confident207 Ų20795.6 Ų95.678%0.78147%0.469SS*.THydrogen-bonded Turntrans-90-22.9179.6-138.2179.7-175173.61.8115.1N141 F163N141-R165 WeakPolarHBondContact ND2-CB 3.23Å; F163-R165 PolarHBondContact O-N 2.86Å
166E56.4Low70.7Confident134 Ų13495.8 Ų95.863%0.62645%0.454SS*.THydrogen-bonded Turntrans-73.8-37.8170.8-84172.2-158.400109.8R146 F163 G168R146-E166 IonicContact CZ-OE1 3.27Å; R146-E166 VanDerWaalsContact CZ-OE1 3.26Å; R146-E166 IonicContact NH1-OE1 2.74Å; R146-E166 PolarHBondContact NH1-OE1 3.16Å; R146-E166 VanDerWaalsContact NH2-CD 3.31Å; R146-E166 IonicContact NH2-OE1 3.79Å; R146-E166 PolarHBondContact NH2-OE1 2.96Å; R146-E166 IonicContact NH2-OE2 2.8Å; F163-E166 HydrophobicContact CB-CB 4.4Å; F163-E166 PolarHBondContact O-N 2.87Å; E166-G168 VanDerWaalsContact C-N 3.27Å; E166-G168 PolarHBondContact O-N 2.65Å; E166-G168 VanDerWaalsContact O-N 3.13Å
167E51.2Low69.8Low63 Ų6393.8 Ų93.829%0.29445%0.454SS..  trans-86.369.4165.6-63.7-160.4151.100110.6R162 F163 S164 L169 I170R162-E167 VanDerWaalsContact CD-OE1 3.23Å; R162-E167 WeakPolarHBondContact CD-OE1 3.18Å; R162-E167 IonicContact CZ-OE1 2.64Å; R162-E167 IonicContact NE-OE1 3.43Å; R162-E167 PolarHBondContact NE-OE1 3.24Å; R162-E167 IonicContact NH1-OE1 3.71Å; R162-E167 PolarHBondContact NH1-OE1 3.3Å; R162-E167 IonicContact NH1-OE2 2.82Å; F163-E167 PolarHBondContact O-N 3.12Å; F163-E167 VanDerWaalsContact O-N 3.12Å; S164-E167 CarbonylContact O-C 3.22Å; E167-L169 PolarHBondContact O-N 3.13Å; E167-I170 HydrophobicContact CB-CG1 4.27Å; E167-I170 PolarHBondContact O-N 3.14Å
168G47.7Very low69Low69 Ų6997.3 Ų97.371%0.71147%0.468SS*.THydrogen-bonded Turntrans-5819.4162.800000114.5E166E166-G168 VanDerWaalsContact C-N 3.27Å; E166-G168 PolarHBondContact O-N 2.65Å; E166-G168 VanDerWaalsContact O-N 3.13Å
169L50.7Low68.1Low70 Ų7093.5 Ų93.537%0.36645%0.447SS..THydrogen-bonded Turntrans-113.6-11.2-176.4-16861.7000113E167 D171 R172 R173E167-L169 PolarHBondContact O-N 3.13Å; L169-D171 PolarHBondContact O-N 3.25Å; L169-R172 HydrophobicContact CD1-CB 4.21Å; L169-R172 PolarHBondContact O-N 3.18Å; L169-R172 VanDerWaalsContact O-N 3.12Å; L169-R173 HydrophobicContact CD1-CG 4.17Å; L169-R173 HydrophobicContact CD2-CG 4.13Å; L169-R173 HydrophobicContact CG-CB 4.44Å; L169-R173 HydrophobicContact CG-CG 3.84Å; L169-R173 PolarHBondContact O-N 3.46Å
170I52.1Low67.5Low62 Ų6294.1 Ų94.132%0.31845%0.45SS..Hα-helixtrans-57-37173.1-61.5176.4000109.5L138 E167 R172 A174L138-I170 HydrophobicContact CD1-CD1 4.08Å; L138-I170 HydrophobicContact CD2-CD1 3.78Å; E167-I170 HydrophobicContact CB-CG1 4.27Å; E167-I170 PolarHBondContact O-N 3.14Å; I170-R172 VanDerWaalsContact C-N 3.32Å; I170-R172 PolarHBondContact O-N 3.14Å; I170-A174 WeakPolarHBondContact O-CB 3.19Å; I170-A174 PolarHBondContact O-N 3.08Å; I170-A174 VanDerWaalsContact O-N 3.16Å
171D54.9Low66.6Low131 Ų13191.1 Ų91.170%0.70145%0.446SS*.Hα-helixtrans-76-14-177.6-147.610.8000114.4L169 V175L169-D171 PolarHBondContact O-N 3.25Å; D171-V175 WeakPolarHBondContact O-CB 3.42Å; D171-V175 WeakPolarHBondContact O-CG2 3.3Å
172R52.7Low65.7Low196 Ų19691.2 Ų91.274%0.7445%0.45SS*.Hα-helixtrans-106.8-41.1177-72.2-174.5-178.8171.21.8113.5L169 I170 Y176L169-R172 HydrophobicContact CD1-CB 4.21Å; L169-R172 PolarHBondContact O-N 3.18Å; L169-R172 VanDerWaalsContact O-N 3.12Å; I170-R172 VanDerWaalsContact C-N 3.32Å; I170-R172 PolarHBondContact O-N 3.14Å; R172-Y176 WeakPolarHBondContact O-CB 3.22Å; R172-Y176 PolarHBondContact O-N 3.35Å
173R59.3Low64.9Low171 Ų17193.5 Ų93.565%0.64546%0.459SS*.Hα-helixtrans-70.7-40.2177.6-83.5-176.2175.1175.61.1111.4L169 Y176 L177L169-R173 HydrophobicContact CD1-CG 4.17Å; L169-R173 HydrophobicContact CD2-CG 4.13Å; L169-R173 HydrophobicContact CG-CB 4.44Å; L169-R173 HydrophobicContact CG-CG 3.84Å; L169-R173 PolarHBondContact O-N 3.46Å; R173-Y176 PolarHBondContact O-N 3.17Å; R173-L177 WeakPolarHBondContact O-CB 3.45Å; R173-L177 PolarHBondContact O-N 2.86Å
174A67.6Low63.9Low54 Ų5499.4 Ų99.445%0.44649%0.491SS..Hα-helixtrans-65.8-42.5175.800000111.4I170 L177 Y178I170-A174 WeakPolarHBondContact O-CB 3.19Å; I170-A174 PolarHBondContact O-N 3.08Å; I170-A174 VanDerWaalsContact O-N 3.16Å; A174-L177 PolarHBondContact O-N 2.68Å; A174-Y178 VanDerWaalsContact O-CB 3.28Å; A174-Y178 WeakPolarHBondContact O-CB 3.37Å; A174-Y178 PolarHBondContact O-N 2.63Å
175V68.4Low63.4Low70 Ų70104.9 Ų104.942%0.42452%0.516SS..Hα-helixtrans-63.5-42.4175.1172.60000111.4D171 N179D171-V175 WeakPolarHBondContact O-CB 3.42Å; D171-V175 WeakPolarHBondContact O-CG2 3.3Å; V175-N179 WeakPolarHBondContact O-CB 3.3Å; V175-N179 PolarHBondContact O-N 3.12Å; V175-N179 VanDerWaalsContact O-N 3.07Å; V175-N179 PolarHBondContact O-ND2 3Å; V175-N179 VanDerWaalsContact O-ND2 3.08Å
176Y71.1Confident63.3Low82 Ų82102.5 Ų102.532%0.32251%0.507SS..Hα-helixtrans-59.1-51.7174.3176-100.8000110.7R172 R173 N179 I180 R204R172-Y176 WeakPolarHBondContact O-CB 3.22Å; R172-Y176 PolarHBondContact O-N 3.35Å; R173-Y176 PolarHBondContact O-N 3.17Å; Y176-N179 PolarHBondContact O-N 3.27Å; Y176-I180 HydrophobicContact CD1-CD1 3.99Å; Y176-I180 HydrophobicContact CE1-CD1 3.42Å; Y176-I180 VanDerWaalsContact CE1-CD1 3.42Å; Y176-I180 HydrophobicContact CE1-CG1 4.39Å; Y176-I180 HydrophobicContact CE2-CG2 4.33Å; Y176-I180 WeakPolarHBondContact O-CG1 3.34Å; Y176-I180 PolarHBondContact O-N 2.75Å; Y176-R204 PolarHBondContact OH-N 2.99Å
177L74.7Confident63.9Low99 Ų99101.2 Ų101.252%0.51851%0.508SS..Hα-helixtrans-61.9-45.8-178.9-16365000111.3R173 A174 N179 I180 T181R173-L177 WeakPolarHBondContact O-CB 3.45Å; R173-L177 PolarHBondContact O-N 2.86Å; A174-L177 PolarHBondContact O-N 2.68Å; L177-N179 VanDerWaalsContact C-N 3.26Å; L177-N179 PolarHBondContact O-N 3.47Å; L177-I180 HydrophobicContact CD1-CD1 4.33Å; L177-I180 HydrophobicContact CD1-CG1 4.45Å; L177-I180 WeakPolarHBondContact O-CG1 3.28Å; L177-I180 PolarHBondContact O-N 2.82Å; L177-I180 VanDerWaalsContact O-N 3.14Å; L177-T181 VanDerWaalsContact O-CB 3.26Å; L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.01Å; L177-T181 PolarHBondContact O-OG1 2.9Å
178Y76.9Confident64.6Low138 Ų138102.5 Ų102.554%0.54152%0.524SS..Hα-helixtrans-56.1-40.3175.2-179-95.4000112.7A174 I180 R183 P192A174-Y178 VanDerWaalsContact O-CB 3.28Å; A174-Y178 WeakPolarHBondContact O-CB 3.37Å; A174-Y178 PolarHBondContact O-N 2.63Å; Y178-I180 VanDerWaalsContact C-N 3.34Å; Y178-I180 PolarHBondContact O-N 3.15Å; Y178-R183 PolarHBondContact OH-NH2 3.09Å; Y178-R183 VanDerWaalsContact OH-NH2 3.08Å; Y178-P192 HydrophobicContact CD1-CG 4.42Å; Y178-P192 HydrophobicContact CE1-CG 4.15Å; Y178-P192 WeakPolarHBondContact O-CD 3.34Å; Y178-P192 WeakPolarHBondContact O-CG 3.35Å
179N77Confident65.6Low66 Ų66106.5 Ų106.535%0.35352%0.524SS..Hα-helixtrans-72.5-25.9-178.9-72.2-28.6000113.4V175 Y176 L177 P192 A193V175-N179 WeakPolarHBondContact O-CB 3.3Å; V175-N179 PolarHBondContact O-N 3.12Å; V175-N179 VanDerWaalsContact O-N 3.07Å; V175-N179 PolarHBondContact O-ND2 3Å; V175-N179 VanDerWaalsContact O-ND2 3.08Å; Y176-N179 PolarHBondContact O-N 3.27Å; L177-N179 VanDerWaalsContact C-N 3.26Å; L177-N179 PolarHBondContact O-N 3.47Å; N179-P192 WeakPolarHBondContact O-CD 3.38Å; N179-A193 WeakPolarHBondContact O-CB 3.35Å; N179-A193 PolarHBondContact O-N 3.02Å
180I78.9Confident66.6Low23 Ų23104.9 Ų104.912%0.11852%0.521CS..Hα-helixtrans-105.8-13.9-177.866.3166.7000114.2Y176 L177 Y178 T191 I203Y176-I180 HydrophobicContact CD1-CD1 3.99Å; Y176-I180 HydrophobicContact CE1-CD1 3.42Å; Y176-I180 VanDerWaalsContact CE1-CD1 3.42Å; Y176-I180 HydrophobicContact CE1-CG1 4.39Å; Y176-I180 HydrophobicContact CE2-CG2 4.33Å; Y176-I180 WeakPolarHBondContact O-CG1 3.34Å; Y176-I180 PolarHBondContact O-N 2.75Å; L177-I180 HydrophobicContact CD1-CD1 4.33Å; L177-I180 HydrophobicContact CD1-CG1 4.45Å; L177-I180 WeakPolarHBondContact O-CG1 3.28Å; L177-I180 PolarHBondContact O-N 2.82Å; L177-I180 VanDerWaalsContact O-N 3.14Å; Y178-I180 VanDerWaalsContact C-N 3.34Å; Y178-I180 PolarHBondContact O-N 3.15Å; I180-T191 WeakPolarHBondContact O-CG2 3.32Å; I180-I203 HydrophobicContact CB-CG1 4.49Å; I180-I203 HydrophobicContact CD1-CD1 4.23Å; I180-I203 HydrophobicContact CD1-CG1 4.15Å; I180-I203 HydrophobicContact CD1-CG2 3.72Å
181T74Confident67.7Low67 Ų67102.6 Ų102.641%0.41151%0.51SS..SBendtrans-85.2127178.8-59.80000109.2L177L177-T181 VanDerWaalsContact O-CB 3.26Å; L177-T181 WeakPolarHBondContact O-CB 3.27Å; L177-T181 PolarHBondContact O-N 3.01Å; L177-T181 PolarHBondContact O-OG1 2.9Å
182P69.9Low68.7Low46 Ų4698 Ų9830%0.29949%0.487SS..PPolyproline II helixtrans-57.8144.5173-23.934.9000110R186 T191P182-R186 WeakPolarHBondContact CB-O 3.39Å; P182-T191 HydrophobicContact CB-CG2 4.4Å; P182-T191 HydrophobicContact CG-CG2 3.83Å
183R69.1Low69.7Low135 Ų13589 Ų8951%0.50945%0.454SS..PPolyproline II helixtrans-63.5149.9166.6-67.6-179.3177.5-113.21.7109.1Y178 D185 R186Y178-R183 PolarHBondContact OH-NH2 3.09Å; Y178-R183 VanDerWaalsContact OH-NH2 3.08Å; R183-D185 PolarHBondContact O-N 3.32Å; R183-R186 WeakPolarHBondContact O-CB 3.38Å; R183-R186 PolarHBondContact O-N 2.8Å; R183-R186 VanDerWaalsContact O-N 3.14Å
184D61.5Low70.6Confident144 Ų14483.2 Ų83.277%0.7744%0.436SS*.THydrogen-bonded Turntrans-32.3131.9-179.7-57.8-32.5000112.9R186D184-R186 PolarHBondContact O-N 3.27Å; D184-R186 VanDerWaalsContact O-N 3.14Å
185D58.7Low71Confident176 Ų17684.1 Ų84.194%0.94145%0.451SS*.THydrogen-bonded Turntrans60.514.4176.3-47.5-31.6000116.8R183R183-D185 PolarHBondContact O-N 3.32Å
186R57.3Low71.4Confident157 Ų15786 Ų8659%0.59246%0.463SS*.  trans-108.9154-179-61.5-174.4179.7137.54114.3P182 R183 D184 A190P182-R186 WeakPolarHBondContact CB-O 3.39Å; R183-R186 WeakPolarHBondContact O-CB 3.38Å; R183-R186 PolarHBondContact O-N 2.8Å; R183-R186 VanDerWaalsContact O-N 3.14Å; D184-R186 PolarHBondContact O-N 3.27Å; D184-R186 VanDerWaalsContact O-N 3.14Å; R186-A190 HydrophobicContact CB-CB 3.5Å; R186-A190 HydrophobicContact CG-CB 4.27Å
187T67.5Low71.3Confident107 Ų10787.5 Ų87.566%0.65647%0.468SS*.  trans-57.5156.917311.50000112.1Q189 A190T187-Q189 PolarHBondContact O-N 2.74Å; T187-A190 WeakPolarHBondContact O-CB 3.1Å; T187-A190 PolarHBondContact O-N 2.73Å
188S66.2Low71.3Confident89 Ų8993 Ų9362%0.62249%0.489SS*.G310 helixtrans-52.1-20.1174.154.80000114.4A190 T191 N194S188-A190 VanDerWaalsContact C-N 3.32Å; S188-T191 VanDerWaalsContact O-CG2 3.3Å; S188-T191 WeakPolarHBondContact O-CG2 3.29Å; S188-N194 PolarHBondContact O-ND2 2.92Å; S188-N194 VanDerWaalsContact O-ND2 3.12Å
189Q69Low71Confident154 Ų15490.6 Ų90.672%0.7248%0.479SS*.G310 helixtrans-70.4-23174.9-69.7-98.3-47.500113.4T187 T191 N194T187-Q189 PolarHBondContact O-N 2.74Å; Q189-T191 VanDerWaalsContact C-N 3.3Å; Q189-T191 PolarHBondContact O-N 2.95Å; Q189-N194 VanDerWaalsContact C-ND2 3.33Å; Q189-N194 VanDerWaalsContact CA-ND2 3.3Å; Q189-N194 WeakPolarHBondContact CA-ND2 3.48Å; Q189-N194 WeakPolarHBondContact O-CB 3.09Å; Q189-N194 PolarHBondContact O-ND2 2.74Å
190A72.2Confident70.7Confident36 Ų3691.6 Ų91.630%0.29850%0.496SS..G310 helixtrans-88.113.1-173.800000114.8R186 T187 S188R186-A190 HydrophobicContact CB-CB 3.5Å; R186-A190 HydrophobicContact CG-CB 4.27Å; T187-A190 WeakPolarHBondContact O-CB 3.1Å; T187-A190 PolarHBondContact O-N 2.73Å; S188-A190 VanDerWaalsContact C-N 3.32Å
191T75Confident70.2Confident13 Ų1392.6 Ų92.68%0.0850%0.503CS..SBendtrans-68.3146177.461.80000110.4I180 P182 S188 Q189 A193 N194I180-T191 WeakPolarHBondContact O-CG2 3.32Å; P182-T191 HydrophobicContact CB-CG2 4.4Å; P182-T191 HydrophobicContact CG-CG2 3.83Å; S188-T191 VanDerWaalsContact O-CG2 3.3Å; S188-T191 WeakPolarHBondContact O-CG2 3.29Å; Q189-T191 VanDerWaalsContact C-N 3.3Å; Q189-T191 PolarHBondContact O-N 2.95Å; T191-A193 PolarHBondContact O-N 3.15Å; T191-A193 VanDerWaalsContact O-N 3.15Å; T191-N194 PolarHBondContact O-N 3.43Å; T191-N194 VanDerWaalsContact O-N 3.09Å; T191-N194 VanDerWaalsContact OG1-CG 3.26Å; T191-N194 PolarHBondContact OG1-ND2 2.91Å; T191-N194 VanDerWaalsContact OG1-ND2 3.16Å
192P74.6Confident70.1Confident35 Ų3596 Ų9623%0.22751%0.509CS..Hα-helixtrans-54.1-34175.8-27.535000113.4Y178 N179 N194 G195Y178-P192 HydrophobicContact CD1-CG 4.42Å; Y178-P192 HydrophobicContact CE1-CG 4.15Å; Y178-P192 WeakPolarHBondContact O-CD 3.34Å; Y178-P192 WeakPolarHBondContact O-CG 3.35Å; N179-P192 WeakPolarHBondContact O-CD 3.38Å; P192-N194 VanDerWaalsContact C-N 3.32Å; P192-N194 PolarHBondContact O-N 3.15Å; P192-G195 PolarHBondContact O-N 3.3Å
193A75.3Confident70Confident6 Ų696.2 Ų96.25%0.0551%0.507CS..Hα-helixtrans-58.6-39.9177.600000113.2N179 T191 G195 V196 Y197 V201N179-A193 WeakPolarHBondContact O-CB 3.35Å; N179-A193 PolarHBondContact O-N 3.02Å; T191-A193 PolarHBondContact O-N 3.15Å; T191-A193 VanDerWaalsContact O-N 3.15Å; A193-G195 VanDerWaalsContact C-N 3.25Å; A193-G195 PolarHBondContact O-N 3.04Å; A193-V196 PolarHBondContact O-N 2.81Å; A193-Y197 HydrophobicContact CB-CD2 4.22Å; A193-Y197 HydrophobicContact CB-CE2 4.49Å; A193-Y197 VanDerWaalsContact O-CD2 3.26Å; A193-Y197 WeakPolarHBondContact O-CD2 3.4Å; A193-Y197 PolarHBondContact O-N 2.89Å; A193-V201 HydrophobicContact CB-CB 4.43Å; A193-V201 HydrophobicContact CB-CG2 3.99Å
194N77.2Confident69.6Low50 Ų5099.9 Ų99.927%0.26752%0.521SS..Hα-helixtrans-71.2-20.9-179.5-67.1-16.1000113.2S188 Q189 T191 P192 V196S188-N194 PolarHBondContact O-ND2 2.92Å; S188-N194 VanDerWaalsContact O-ND2 3.12Å; Q189-N194 VanDerWaalsContact C-ND2 3.33Å; Q189-N194 VanDerWaalsContact CA-ND2 3.3Å; Q189-N194 WeakPolarHBondContact CA-ND2 3.48Å; Q189-N194 WeakPolarHBondContact O-CB 3.09Å; Q189-N194 PolarHBondContact O-ND2 2.74Å; T191-N194 PolarHBondContact O-N 3.43Å; T191-N194 VanDerWaalsContact O-N 3.09Å; T191-N194 VanDerWaalsContact OG1-CG 3.26Å; T191-N194 PolarHBondContact OG1-ND2 2.91Å; T191-N194 VanDerWaalsContact OG1-ND2 3.16Å; P192-N194 VanDerWaalsContact C-N 3.32Å; P192-N194 PolarHBondContact O-N 3.15Å; N194-V196 VanDerWaalsContact C-N 3.26Å
195G76.5Confident69.7Low73 Ų73102.9 Ų102.975%0.75353%0.53SS*.Hα-helixtrans-73.3-19.7170.900000113.4P192 A193P192-G195 PolarHBondContact O-N 3.3Å; A193-G195 VanDerWaalsContact C-N 3.25Å; A193-G195 PolarHBondContact O-N 3.04Å
196V75.9Confident69.6Low111 Ų111100.6 Ų100.667%0.67352%0.517SS*.Hα-helixtrans-103.6-42.3-175.8179.80000111.6A193 N194A193-V196 PolarHBondContact O-N 2.81Å; N194-V196 VanDerWaalsContact C-N 3.26Å
197Y70.7Confident69.6Low112 Ų11297 Ų9744%0.43951%0.51SS..  trans-99.4137.4-176.1-58.3-68.7000111.3A193 Y199 V201A193-Y197 HydrophobicContact CB-CD2 4.22Å; A193-Y197 HydrophobicContact CB-CE2 4.49Å; A193-Y197 VanDerWaalsContact O-CD2 3.26Å; A193-Y197 WeakPolarHBondContact O-CD2 3.4Å; A193-Y197 PolarHBondContact O-N 2.89Å; Y197-Y199 AromaticContact CD1-CE1 3.94Å; Y197-Y199 HydrophobicContact CD1-CE1 3.94Å; Y197-Y199 AromaticContact CD1-CZ 3.86Å; Y197-Y199 HydrophobicContact CG-CE1 4.32Å; Y197-Y199 PolarHBondContact O-N 2.87Å; Y197-V201 HydrophobicContact CD2-CG2 3.51Å; Y197-V201 HydrophobicContact CE2-CG2 4.26Å; Y197-V201 HydrophobicContact CG-CG2 4.05Å
198K73.4Confident69.1Low216 Ų21698.5 Ų98.594%0.93952%0.518SS*.SBendtrans-76.9-0.7175.7-71.3-172175.8-174.40113.9
199Y70.7Confident68.4Low87 Ų8797.9 Ų97.934%0.34151%0.514SS..SBendtrans-129.7157.4-173.957.5-92.5000110.3Y197 V201Y197-Y199 AromaticContact CD1-CE1 3.94Å; Y197-Y199 HydrophobicContact CD1-CE1 3.94Å; Y197-Y199 AromaticContact CD1-CZ 3.86Å; Y197-Y199 HydrophobicContact CG-CE1 4.32Å; Y197-Y199 PolarHBondContact O-N 2.87Å; Y199-V201 HydrophobicContact CE2-CG2 4.45Å; Y199-V201 PolarHBondContact O-N 2.83Å
200A71.2Confident67.7Low87 Ų8794.7 Ų94.772%0.71951%0.509SS*.PPolyproline II helixtrans-65.3118.1176.600000110.2R202A200-R202 PolarHBondContact O-N 3.34Å
201V69.2Low66.7Low44 Ų44102.4 Ų102.427%0.26754%0.536SS..PPolyproline II helixtrans-76.6118.8177.9178.10000109.4A193 Y197 Y199A193-V201 HydrophobicContact CB-CB 4.43Å; A193-V201 HydrophobicContact CB-CG2 3.99Å; Y197-V201 HydrophobicContact CD2-CG2 3.51Å; Y197-V201 HydrophobicContact CE2-CG2 4.26Å; Y197-V201 HydrophobicContact CG-CG2 4.05Å; Y199-V201 HydrophobicContact CE2-CG2 4.45Å; Y199-V201 PolarHBondContact O-N 2.83Å
202R70.1Confident65.4Low138 Ų138109 Ų10952%0.52157%0.566SS.*PPolyproline II helixtrans-74.4131.3174.9-69.6-169.9-70.2178.7-3.8111.7A200 D207A200-R202 PolarHBondContact O-N 3.34Å; R202-D207 WeakPolarHBondContact CA-OD2 3.45Å; R202-D207 HydrophobicContact CB-CB 4.43Å; R202-D207 VanDerWaalsContact CB-OD2 3.29Å; R202-D207 WeakPolarHBondContact CB-OD2 3.15Å
203I67.8Low64.1Low50 Ų50114.3 Ų114.326%0.25660%0.597SS.*PPolyproline II helixtrans-87118.1179-57.9174.3000108.6I180 Q205 L206 D207I180-I203 HydrophobicContact CB-CG1 4.49Å; I180-I203 HydrophobicContact CD1-CD1 4.23Å; I180-I203 HydrophobicContact CD1-CG1 4.15Å; I180-I203 HydrophobicContact CD1-CG2 3.72Å; I203-Q205 PolarHBondContact O-N 3.34Å; I203-L206 HydrophobicContact CB-CB 3.94Å; I203-L206 HydrophobicContact CD1-CD2 4.36Å; I203-L206 HydrophobicContact CG2-CB 3.86Å; I203-L206 PolarHBondContact O-N 2.9Å; I203-L206 VanDerWaalsContact O-N 3.09Å; I203-D207 PolarHBondContact N-OD2 3.1Å; I203-D207 PolarHBondContact O-N 3.04Å
204R60.6Low63Low213 Ų213117.9 Ų117.980%0.80462%0.622SS**THydrogen-bonded Turntrans-53.7130.8175.8-67.7-175.9175.5-168.4-2.6110.3Y176 L206Y176-R204 PolarHBondContact OH-N 2.99Å; R204-L206 PolarHBondContact O-N 3.11Å
205Q64.6Low61.8Low207 Ų207125 Ų12597%0.96765%0.653SS**THydrogen-bonded Turntrans72.5-13.3-176.5-53.9-155.5-31.500117.4I203I203-Q205 PolarHBondContact O-N 3.34Å
206L57.5Low61Low128 Ų128126.3 Ų126.367%0.6764%0.64SS**THydrogen-bonded Turntrans-95.1-42.4178.7-133.379.7000111.9I203 R204 V208I203-L206 HydrophobicContact CB-CB 3.94Å; I203-L206 HydrophobicContact CD1-CD2 4.36Å; I203-L206 HydrophobicContact CG2-CB 3.86Å; I203-L206 PolarHBondContact O-N 2.9Å; I203-L206 VanDerWaalsContact O-N 3.09Å; R204-L206 PolarHBondContact O-N 3.11Å; L206-V208 PolarHBondContact O-N 2.83Å
207D56Low60.7Low82 Ų82128.5 Ų128.544%0.43965%0.648SS.*SBendtrans-81106.5-178.8-66.8-34.5000110.4R202 I203 S209R202-D207 WeakPolarHBondContact CA-OD2 3.45Å; R202-D207 HydrophobicContact CB-CB 4.43Å; R202-D207 VanDerWaalsContact CB-OD2 3.29Å; R202-D207 WeakPolarHBondContact CB-OD2 3.15Å; I203-D207 PolarHBondContact N-OD2 3.1Å; I203-D207 PolarHBondContact O-N 3.04Å; D207-S209 PolarHBondContact O-N 3.25Å
208V57.6Low60.7Low138 Ų138124.3 Ų124.384%0.83664%0.635SS**  trans-67.6111.1168-173.40000106.9L206 S210L206-V208 PolarHBondContact O-N 2.83Å; V208-S210 PolarHBondContact O-N 2.78Å
209S52.1Low61.3Low76 Ų76118.5 Ų118.553%0.53162%0.619SS.*  trans-65.995.8178.7-167.10000109.2D207 K211D207-S209 PolarHBondContact O-N 3.25Å; S209-K211 PolarHBondContact O-N 3.21Å
210S54.4Low62Low87 Ų87115.5 Ų115.561%0.60861%0.608SS**  trans-60.8120.9161.648.40000107.1V208 E212V208-S210 PolarHBondContact O-N 2.78Å; S210-E212 PolarHBondContact O-N 3.42Å
211K49.7Very low62.8Low198 Ų198117 Ų11786%0.86160%0.602SS**  trans-75.569.4172-68.4-172.6177.6-173.30108.3S209 T213S209-K211 PolarHBondContact O-N 3.21Å; K211-T213 PolarHBondContact O-N 3.03Å
212E47.5Very low63.7Low152 Ų152117.8 Ų117.871%0.7161%0.613SS**  trans-81.3113.5167.3-81.1-175.1167.300108.2S210 S214S210-E212 PolarHBondContact O-N 3.42Å; E212-S214 PolarHBondContact O-N 3.44Å
213T48Very low64.6Low145 Ų145113.8 Ų113.889%0.8962%0.615SS**  trans-71.446.5174.247.70000111.4K211 Q215K211-T213 PolarHBondContact O-N 3.03Å; T213-Q215 PolarHBondContact O-N 3.4Å
214S52.4Low65.7Low81 Ų81114.4 Ų114.457%0.56662%0.619SS**  trans-72.8110.8171.5-61.50000106.1E212 E216E212-S214 PolarHBondContact O-N 3.44Å; S214-E216 PolarHBondContact O-N 3.1Å
215Q52Low67.2Low199 Ų199105.5 Ų105.593%0.9359%0.591SS**  trans-6073.8159.9-83.3175.8-74.900107.6T213T213-Q215 PolarHBondContact O-N 3.4Å
216E60Low68.6Low101 Ų10195.6 Ų95.647%0.47255%0.545SS..  trans-74.7147.2175.4-152-176.9-149.800107.4S214 S218 S249 S250S214-E216 PolarHBondContact O-N 3.1Å; E216-S218 PolarHBondContact O-N 2.95Å; E216-S249 WeakPolarHBondContact OE2-CA 3.39Å; E216-S250 PolarHBondContact OE2-N 3.33Å; E216-S250 PolarHBondContact OE2-OG 3.1Å
217N70Confident70.2Confident157 Ų15794.3 Ų94.384%0.8453%0.531SS*.  trans-60.570.6-173.6-71.7-31.2000113.4
218S70.8Confident71.8Confident25 Ų2591.4 Ų91.418%0.17552%0.516CS..  trans-83.7136.6171.9167.50000109.4E216 Y220 V247E216-S218 PolarHBondContact O-N 2.95Å; S218-Y220 PolarHBondContact O-N 2.97Å; S218-Y220 PolarHBondContact OG-N 2.96Å; S218-Y220 PolarHBondContact OG-O 3.2Å; S218-V247 VanDerWaalsContact CB-CG1 3.45Å
219P84.5Confident73.1Confident93 Ų9389.4 Ų89.460%0.60450%0.496SS*.SBendtrans-65.7-14.3173.2-18.530.8000114.5I262P219-I262 HydrophobicContact CG-CD1 4.31Å
220Y87Confident74.4Confident25 Ų2587.1 Ų87.110%0.09848%0.479CS..  trans-119.8146.7-177-59.9-78.9000111S218 D224 V226 V247 I262 L265 P267S218-Y220 PolarHBondContact O-N 2.97Å; S218-Y220 PolarHBondContact OG-N 2.96Å; S218-Y220 PolarHBondContact OG-O 3.2Å; Y220-D224 WeakPolarHBondContact CA-OD2 3.45Å; Y220-V226 HydrophobicContact CD1-CG1 3.77Å; Y220-V226 HydrophobicContact CE1-CG1 3.64Å; Y220-V247 WeakPolarHBondContact O-CG2 3.42Å; Y220-I262 HydrophobicContact CD2-CB 4.31Å; Y220-I262 HydrophobicContact CD2-CG2 3.91Å; Y220-I262 HydrophobicContact CE2-CB 4.01Å; Y220-I262 HydrophobicContact CE2-CG2 4.13Å; Y220-L265 HydrophobicContact CE2-CB 4.16Å; Y220-L265 HydrophobicContact CE2-CD1 4.45Å; Y220-L265 PolarHBondContact OH-O 3.09Å; Y220-P267 HydrophobicContact CE1-CG 4.05Å
221I87.7Confident75.2Confident117 Ų11787.6 Ų87.660%0.649%0.489SS*.  trans-118.5151.9-179.6-54174.3000109.3G223 D224 V244I221-G223 PolarHBondContact O-N 2.99Å; I221-D224 PolarHBondContact N-OD2 3.37Å; I221-D224 WeakPolarHBondContact O-CB 3.49Å; I221-D224 VanDerWaalsContact O-CG 3.31Å; I221-D224 PolarHBondContact O-N 3.33Å; I221-V244 WeakPolarHBondContact O-CB 3.35Å; I221-V244 WeakPolarHBondContact O-CG1 3.28Å
222A88.1Confident76.1Confident61 Ų6182.6 Ų82.650%0.50449%0.493SS..THydrogen-bonded Turntrans-55125.5171.800000111V244A222-V244 CarbonylContact C-O 3.58Å; A222-V244 WeakPolarHBondContact CA-O 3.49Å
223G88Confident76.9Confident54 Ų5477.7 Ų77.756%0.55747%0.474SS*.THydrogen-bonded Turntrans104.9-14.9-174.100000114.6I221 A225 V244I221-G223 PolarHBondContact O-N 2.99Å; G223-A225 PolarHBondContact O-N 3.07Å; G223-V244 PolarHBondContact N-O 3.3Å
224D90.3Very high77.4Confident63 Ų6379.6 Ų79.634%0.33747%0.465SS..  trans-67.2128.8179.8-71.6-14.3000111.1Y220 I221 V244Y220-D224 WeakPolarHBondContact CA-OD2 3.45Å; I221-D224 PolarHBondContact N-OD2 3.37Å; I221-D224 WeakPolarHBondContact O-CB 3.49Å; I221-D224 VanDerWaalsContact O-CG 3.31Å; I221-D224 PolarHBondContact O-N 3.33Å; D224-V244 HydrophobicContact CB-CB 4.38Å; D224-V244 HydrophobicContact CB-CG2 4.24Å; D224-V244 PolarHBondContact O-N 3.43Å
225A93Very high78.2Confident26 Ų2682.4 Ų82.422%0.21548%0.483CS..EExtended strand (participates in β ladder)trans-78.9133.5171.300000110G223 L268G223-A225 PolarHBondContact O-N 3.07Å; A225-L268 HydrophobicContact CB-CB 3.87Å; A225-L268 HydrophobicContact CB-CD2 3.68Å; A225-L268 HydrophobicContact CB-CG 4.29Å; A225-L268 VanDerWaalsContact O-CB 3.22Å; A225-L268 WeakPolarHBondContact O-CB 3.31Å; A225-L268 PolarHBondContact O-N 3.01Å
226V93.3Very high79.1Confident0 Ų077.5 Ų77.50%046%0.463CS..EExtended strand (participates in β ladder)trans-139.2150.6-174.9-66.60000112Y220 V228 G242 V244 V255 L265 R266Y220-V226 HydrophobicContact CD1-CG1 3.77Å; Y220-V226 HydrophobicContact CE1-CG1 3.64Å; V226-V228 HydrophobicContact CG2-CG2 4.36Å; V226-G242 WeakPolarHBondContact CG2-O 3.48Å; V226-G242 PolarHBondContact N-O 2.99Å; V226-G242 PolarHBondContact O-N 2.83Å; V226-G242 VanDerWaalsContact O-O 3.08Å; V226-V244 HydrophobicContact CG1-CG2 3.98Å; V226-V244 HydrophobicContact CG2-CG2 4.03Å; V226-V255 HydrophobicContact CG2-CG1 4.01Å; V226-V255 HydrophobicContact CG2-CG2 4.04Å; V226-L265 HydrophobicContact CB-CB 4.41Å; V226-L265 HydrophobicContact CG2-CD1 4.45Å; V226-L265 HydrophobicContact CG2-CD2 4.13Å; V226-R266 CarbonylContact C-O 3.48Å; V226-R266 WeakPolarHBondContact CA-O 3.26Å; V226-R266 WeakPolarHBondContact CB-O 3.39Å
227W92.2Very high79.9Confident101 Ų10180.2 Ų80.238%0.38347%0.469SS..EExtended strand (participates in β ladder)trans-86121.9164.8-69.9111.4000110.1Y239 Q240 T241 L265 R266 L268W227-Y239 HydrophobicContact CB-CD1 3.98Å; W227-Y239 HydrophobicContact CB-CG 4.39Å; W227-Y239 WeakPolarHBondContact CZ3-O 3.04Å; W227-Q240 CarbonylContact C-O 3.49Å; W227-Q240 WeakPolarHBondContact CA-O 3.25Å; W227-T241 WeakPolarHBondContact CH2-OG1 3.43Å; W227-T241 WeakPolarHBondContact CZ3-OG1 3.23Å; W227-L265 CarbonylContact O-C 3.56Å; W227-L265 WeakPolarHBondContact O-CA 3.08Å; W227-R266 HydrophobicContact CB-CB 4.15Å; W227-R266 PolarHBondContact N-O 2.92Å; W227-R266 PolarHBondContact O-N 2.85Å; W227-L268 HydrophobicContact CD2-CD1 4.18Å; W227-L268 HydrophobicContact CG-CD1 4.45Å; W227-L268 HydrophobicContact CZ2-CD1 3.5Å
228V90.2Very high80.4Confident20 Ų2083.7 Ų83.712%0.12147%0.47CS..EExtended strand (participates in β ladder)trans-97.3126.1179.9-174.80000110.6V226 Y239 Q240 V255 L260 L265V226-V228 HydrophobicContact CG2-CG2 4.36Å; V228-Y239 WeakPolarHBondContact O-CA 3.44Å; V228-Y239 WeakPolarHBondContact O-CB 3.27Å; V228-Q240 PolarHBondContact N-O 3.14Å; V228-Q240 PolarHBondContact O-N 3.43Å; V228-V255 HydrophobicContact CG2-CB 4.47Å; V228-V255 HydrophobicContact CG2-CG1 3.71Å; V228-L260 HydrophobicContact CG1-CD1 3.58Å; V228-L260 HydrophobicContact CG1-CD2 4.32Å; V228-L260 HydrophobicContact CG2-CD1 4.45Å; V228-L265 HydrophobicContact CB-CD2 4.38Å; V228-L265 HydrophobicContact CG1-CD2 4.35Å; V228-L265 HydrophobicContact CG2-CD2 3.89Å
229K83.9Confident81.2Confident97 Ų9786.4 Ų86.442%0.42248%0.477SS..PPolyproline II helixtrans-72.7126.1171.4-174.1-175.2172-167.60110.4Y239 D264K229-Y239 HydrophobicContact CB-CD1 4.12Å; K229-Y239 HydrophobicContact CB-CE1 3.63Å; K229-Y239 HydrophobicContact CB-CE2 4.36Å; K229-Y239 HydrophobicContact CG-CE1 4.25Å; K229-Y239 HydrophobicContact CG-CE2 4.18Å; K229-D264 HydrophobicContact CB-CB 4.07Å; K229-D264 WeakPolarHBondContact CB-O 3.49Å; K229-D264 PolarHBondContact N-O 3.14Å; K229-D264 IonicContact NZ-OD1 3.47Å
230P79.3Confident81.3Confident27 Ų2788 Ų8818%0.17548%0.477CS..PPolyproline II helixtrans-67.8144177.625.2-33.3000112.9V233 R237P230-V233 HydrophobicContact CB-CG2 3.47Å; P230-V233 VanDerWaalsContact CB-CG2 3.47Å; P230-V233 HydrophobicContact CG-CG2 3.41Å; P230-V233 VanDerWaalsContact CG-CG2 3.41Å; P230-V233 VanDerWaalsContact O-CG2 3.28Å; P230-V233 WeakPolarHBondContact O-CG2 3.46Å; P230-R237 HydrophobicContact CG-CB 4.27Å
231A71.2Confident81.5Confident98 Ų9890.9 Ų90.981%0.8150%0.497SS*.THydrogen-bonded Turntrans-75.3141.1-179.600000113V233A231-V233 VanDerWaalsContact C-N 3.27Å; A231-V233 WeakPolarHBondContact O-CG1 3.01Å; A231-V233 PolarHBondContact O-N 3.12Å
232G68.1Low81.6Confident92 Ų9285.4 Ų85.495%0.94847%0.469SS*.THydrogen-bonded Turntrans69.113.8167.700000116.5
233V65.1Low81.9Confident50 Ų5085.4 Ų85.430%0.30346%0.463SS..  trans-117.5158.7-167.8-72.10000114.2P230 A231P230-V233 HydrophobicContact CB-CG2 3.47Å; P230-V233 VanDerWaalsContact CB-CG2 3.47Å; P230-V233 HydrophobicContact CG-CG2 3.41Å; P230-V233 VanDerWaalsContact CG-CG2 3.41Å; P230-V233 VanDerWaalsContact O-CG2 3.28Å; P230-V233 WeakPolarHBondContact O-CG2 3.46Å; A231-V233 VanDerWaalsContact C-N 3.27Å; A231-V233 WeakPolarHBondContact O-CG1 3.01Å; A231-V233 PolarHBondContact O-N 3.12Å
234R58.8Low82.1Confident185 Ų18583 Ų8370%0.69844%0.437SS*.  trans-58.3150177-66.5178.366-142.7-17.3110.9D236 R237R234-D236 WeakPolarHBondContact CB-OD1 3.42Å; R234-D236 IonicContact CZ-OD2 3.26Å; R234-D236 IonicContact NE-OD2 4Å; R234-D236 IonicContact NH1-OD2 2.63Å; R234-D236 PolarHBondContact NH1-OD2 3.42Å; R234-D236 IonicContact NH2-OD2 2.75Å; R234-D236 PolarHBondContact NH2-OD2 3.39Å; R234-D236 PolarHBondContact O-N 2.74Å; R234-D236 VanDerWaalsContact O-N 3.08Å; R234-R237 PolarHBondContact O-N 3.45Å
235C68.5Low82.2Confident140 Ų14083.3 Ų83.395%0.94644%0.442SS*.THydrogen-bonded Turntrans-67.4-2.2-177.350.20000115.2
236D71.8Confident81.9Confident96 Ų9682.8 Ų82.851%0.51344%0.439SS..THydrogen-bonded Turntrans-91.3-7.8178.554.4-4.5000113.7R234R234-D236 WeakPolarHBondContact CB-OD1 3.42Å; R234-D236 IonicContact CZ-OD2 3.26Å; R234-D236 IonicContact NE-OD2 4Å; R234-D236 IonicContact NH1-OD2 2.63Å; R234-D236 PolarHBondContact NH1-OD2 3.42Å; R234-D236 IonicContact NH2-OD2 2.75Å; R234-D236 PolarHBondContact NH2-OD2 3.39Å; R234-D236 PolarHBondContact O-N 2.74Å; R234-D236 VanDerWaalsContact O-N 3.08Å
237R76.6Confident81.5Confident158 Ų15885.7 Ų85.760%0.59646%0.456SS*.SBendtrans-79.3139.5176.9-75.6-170.6174.9168.7-4.4112.2P230 R234P230-R237 HydrophobicContact CG-CB 4.27Å; R234-R237 PolarHBondContact O-N 3.45Å
238R81.1Confident80.8Confident229 Ų22983.7 Ų83.786%0.86445%0.453SS*.PPolyproline II helixtrans-66.6147.2174.4-66.1-178.5177.7164.8-1.6110.7
239Y86.5Confident80.2Confident83 Ų8384 Ų8433%0.32546%0.456SS..PPolyproline II helixtrans-71.7148.5172.8-75.5-139.1000108.2W227 V228 K229 R266W227-Y239 HydrophobicContact CB-CD1 3.98Å; W227-Y239 HydrophobicContact CB-CG 4.39Å; W227-Y239 WeakPolarHBondContact CZ3-O 3.04Å; V228-Y239 WeakPolarHBondContact O-CA 3.44Å; V228-Y239 WeakPolarHBondContact O-CB 3.27Å; K229-Y239 HydrophobicContact CB-CD1 4.12Å; K229-Y239 HydrophobicContact CB-CE1 3.63Å; K229-Y239 HydrophobicContact CB-CE2 4.36Å; K229-Y239 HydrophobicContact CG-CE1 4.25Å; K229-Y239 HydrophobicContact CG-CE2 4.18Å; Y239-R266 HydrophobicContact CD1-CG 4.44Å; Y239-R266 HydrophobicContact CE1-CG 4.1Å
240Q86.5Confident80Confident127 Ų12781.3 Ų81.359%0.59345%0.449SS*.EExtended strand (participates in β ladder)trans-96.5149.1177.6-64.8174.921.700109.1W227 V228W227-Q240 CarbonylContact C-O 3.49Å; W227-Q240 WeakPolarHBondContact CA-O 3.25Å; V228-Q240 PolarHBondContact N-O 3.14Å; V228-Q240 PolarHBondContact O-N 3.43Å
241T91Very high80.1Confident84 Ų8482.7 Ų82.752%0.51545%0.453SS..EExtended strand (participates in β ladder)trans-76.8141.1173.1-52.70000109.6W227 L268W227-T241 WeakPolarHBondContact CH2-OG1 3.43Å; W227-T241 WeakPolarHBondContact CZ3-OG1 3.23Å; T241-L268 HydrophobicContact CG2-CD2 3.92Å
242G91.2Very high80.7Confident3 Ų379 Ų793%0.03142%0.422CS..EExtended strand (participates in β ladder)trans-149.6165.7170.300000111.3V226 D256V226-G242 WeakPolarHBondContact CG2-O 3.48Å; V226-G242 PolarHBondContact N-O 2.99Å; V226-G242 PolarHBondContact O-N 2.83Å; V226-G242 VanDerWaalsContact O-O 3.08Å; G242-D256 VanDerWaalsContact CA-OD2 3.23Å; G242-D256 WeakPolarHBondContact CA-OD2 3.42Å
243T93.8Very high81.5Confident61 Ų6174.6 Ų74.637%0.37438%0.377SS..EExtended strand (participates in β ladder)trans-116.1133.9177.8-50.70000110.3T245 V255 D256T243-T245 PolarHBondContact O-N 3.3Å; T243-V255 CarbonylContact O-C 3.44Å; T243-V255 WeakPolarHBondContact O-CA 3.47Å; T243-V255 WeakPolarHBondContact O-CG1 3.13Å; T243-D256 PolarHBondContact N-OD1 3.41Å; T243-D256 PolarHBondContact O-N 3.47Å
244V92.6Very high82.7Confident2 Ų275.7 Ų75.71%0.01238%0.379CS..EExtended strand (participates in β ladder)trans-66.8116.6175.9173.70000109.4I221 A222 G223 D224 V226 V253 E254 V255I221-V244 WeakPolarHBondContact O-CB 3.35Å; I221-V244 WeakPolarHBondContact O-CG1 3.28Å; A222-V244 CarbonylContact C-O 3.58Å; A222-V244 WeakPolarHBondContact CA-O 3.49Å; G223-V244 PolarHBondContact N-O 3.3Å; D224-V244 HydrophobicContact CB-CB 4.38Å; D224-V244 HydrophobicContact CB-CG2 4.24Å; D224-V244 PolarHBondContact O-N 3.43Å; V226-V244 HydrophobicContact CG1-CG2 3.98Å; V226-V244 HydrophobicContact CG2-CG2 4.03Å; V244-V253 HydrophobicContact CB-CG1 4.05Å; V244-V253 HydrophobicContact CG1-CG1 3.14Å; V244-V253 HydrophobicContact CG2-CG1 3.8Å; V244-E254 CarbonylContact C-O 3.57Å; V244-E254 WeakPolarHBondContact CA-O 3.32Å; V244-V255 HydrophobicContact CG2-CG2 4.2Å
245T90.7Very high84.2Confident70 Ų7067 Ų6743%0.42935%0.347SS..EExtended strand (participates in β ladder)trans-93.6-26179.552.10000112.9T243 E254 G257T243-T245 PolarHBondContact O-N 3.3Å; T245-E254 PolarHBondContact N-O 3.45Å; T245-E254 VanDerWaalsContact OG1-CB 3.3Å; T245-E254 WeakPolarHBondContact OG1-CB 3.2Å; T245-E254 PolarHBondContact OG1-O 3.49Å; T245-G257 PolarHBondContact OG1-N 2.64Å; T245-G257 VanDerWaalsContact OG1-N 3.11Å
246G87.2Confident85.1Confident15 Ų1565 Ų6516%0.15533%0.327CS..EExtended strand (participates in β ladder)trans-168.9155.7-177.500000113.2V253 E254G246-V253 VanDerWaalsContact O-CG1 3.3Å; G246-V253 WeakPolarHBondContact O-CG1 3.44Å; G246-E254 PolarHBondContact N-O 2.83Å; G246-E254 PolarHBondContact O-N 2.86Å
247V84.9Confident85.8Confident61 Ų6162.7 Ų62.737%0.3733%0.325SS..EExtended strand (participates in β ladder)trans-103.7121.8177.4179.60000108.6S218 Y220S218-V247 VanDerWaalsContact CB-CG1 3.45Å; Y220-V247 WeakPolarHBondContact O-CG2 3.42Å
248I77.9Confident85.9Confident60 Ų6060.8 Ų60.831%0.30833%0.326SS..EExtended strand (participates in β ladder)trans-91.9-44.3178.1-56.3170.7000109.9A252 E254 P259I248-A252 HydrophobicContact CB-CB 4.4Å; I248-A252 WeakPolarHBondContact CB-O 3.46Å; I248-A252 PolarHBondContact N-O 3.46Å; I248-E254 HydrophobicContact CD1-CG 3.57Å; I248-E254 HydrophobicContact CG1-CG 3.76Å; I248-P259 HydrophobicContact CD1-CB 3.51Å
249S78Confident86.1Confident27 Ų2754.1 Ų54.119%0.18931%0.312CS..EExtended strand (participates in β ladder)trans-157175.2177.1720000110.7E216 Q251 A252E216-S249 WeakPolarHBondContact OE2-CA 3.39Å; S249-Q251 PolarHBondContact O-N 2.94Å; S249-Q251 PolarHBondContact OG-N 3.29Å; S249-A252 PolarHBondContact N-O 2.83Å; S249-A252 PolarHBondContact O-N 2.9Å; S249-A252 PolarHBondContact OG-N 3.49Å
250S79.9Confident85.9Confident40 Ų4052.1 Ų52.128%0.2831%0.307SS..THydrogen-bonded Turntrans-53.2-15.9171.156.70000115.2E216 I262E216-S250 PolarHBondContact OE2-N 3.33Å; E216-S250 PolarHBondContact OE2-OG 3.1Å; S250-I262 WeakPolarHBondContact O-CD1 3.5Å
251Q80.6Confident85.9Confident56 Ų5648.6 Ų48.626%0.26229%0.29SS..THydrogen-bonded Turntrans-121.2-12.9-175.9-65.2178.4-21.600114.5S249 H261 I262S249-Q251 PolarHBondContact O-N 2.94Å; S249-Q251 PolarHBondContact OG-N 3.29Å; Q251-H261 WeakPolarHBondContact O-CA 3.47Å; Q251-H261 PolarHBondContact O-CD2 3.2Å; Q251-I262 WeakPolarHBondContact O-CG1 3.43Å; Q251-I262 PolarHBondContact O-N 3.31Å
252A83.4Confident85.6Confident19 Ų1946.1 Ų46.116%0.15727%0.274CS..EExtended strand (participates in β ladder)trans-136.1134.4-175.800000111.3I248 S249 L260I248-A252 HydrophobicContact CB-CB 4.4Å; I248-A252 WeakPolarHBondContact CB-O 3.46Å; I248-A252 PolarHBondContact N-O 3.46Å; S249-A252 PolarHBondContact N-O 2.83Å; S249-A252 PolarHBondContact O-N 2.9Å; S249-A252 PolarHBondContact OG-N 3.49Å; A252-L260 WeakPolarHBondContact CA-O 3.28Å
253V86.2Confident85.3Confident0 Ų055.1 Ų55.10%031%0.307CS..EExtended strand (participates in β ladder)trans-138.1138.9-171.5177.20000107.8V244 G246 L260 I262 L265V244-V253 HydrophobicContact CB-CG1 4.05Å; V244-V253 HydrophobicContact CG1-CG1 3.14Å; V244-V253 HydrophobicContact CG2-CG1 3.8Å; G246-V253 VanDerWaalsContact O-CG1 3.3Å; G246-V253 WeakPolarHBondContact O-CG1 3.44Å; V253-L260 PolarHBondContact N-O 3.22Å; V253-L260 PolarHBondContact O-N 2.82Å; V253-L260 VanDerWaalsContact O-O 3.09Å; V253-I262 HydrophobicContact CG2-CG2 3.65Å; V253-L265 HydrophobicContact CB-CD1 4.29Å
254E88.9Confident84.9Confident74 Ų7454.7 Ų54.735%0.34630%0.302SS..EExtended strand (participates in β ladder)trans-79.5125.3172.4-64.6-179.2172.500109.3V244 T245 G246 I248 L258V244-E254 CarbonylContact C-O 3.57Å; V244-E254 WeakPolarHBondContact CA-O 3.32Å; T245-E254 PolarHBondContact N-O 3.45Å; T245-E254 VanDerWaalsContact OG1-CB 3.3Å; T245-E254 WeakPolarHBondContact OG1-CB 3.2Å; T245-E254 PolarHBondContact OG1-O 3.49Å; G246-E254 PolarHBondContact N-O 2.83Å; G246-E254 PolarHBondContact O-N 2.86Å; I248-E254 HydrophobicContact CD1-CG 3.57Å; I248-E254 HydrophobicContact CG1-CG 3.76Å; E254-L258 WeakPolarHBondContact CA-O 3.46Å
255V90.2Very high84.7Confident3 Ų354.6 Ų54.62%0.01830%0.302CS..EExtended strand (participates in β ladder)trans-118.3121.1172.8-177.50000107.5V226 V228 T243 V244 G257 L258 L260 L265V226-V255 HydrophobicContact CG2-CG1 4.01Å; V226-V255 HydrophobicContact CG2-CG2 4.04Å; V228-V255 HydrophobicContact CG2-CB 4.47Å; V228-V255 HydrophobicContact CG2-CG1 3.71Å; T243-V255 CarbonylContact O-C 3.44Å; T243-V255 WeakPolarHBondContact O-CA 3.47Å; T243-V255 WeakPolarHBondContact O-CG1 3.13Å; V244-V255 HydrophobicContact CG2-CG2 4.2Å; V255-G257 PolarHBondContact O-N 3.01Å; V255-G257 VanDerWaalsContact O-N 3.15Å; V255-L258 PolarHBondContact N-O 3.17Å; V255-L258 WeakPolarHBondContact O-CB 3.42Å; V255-L258 PolarHBondContact O-N 3.15Å; V255-L260 HydrophobicContact CB-CD1 3.94Å; V255-L260 HydrophobicContact CG2-CD1 4.25Å; V255-L265 HydrophobicContact CG2-CD1 3.69Å; V255-L265 HydrophobicContact CG2-CD2 3.78Å; V255-L265 HydrophobicContact CG2-CG 4.41Å
256D89.1Confident84.7Confident98 Ų9856.8 Ų56.852%0.52430%0.302SS..THydrogen-bonded Turntrans50.136.9-173.1-50-42.5000112.7G242 T243 L258G242-D256 VanDerWaalsContact CA-OD2 3.23Å; G242-D256 WeakPolarHBondContact CA-OD2 3.42Å; T243-D256 PolarHBondContact N-OD1 3.41Å; T243-D256 PolarHBondContact O-N 3.47Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 3.12Å
257G84.6Confident84.8Confident46 Ų4660.3 Ų60.347%0.47432%0.322SS..THydrogen-bonded Turntrans79.6-0.2-176.900000115.7T245 V255T245-G257 PolarHBondContact OG1-N 2.64Å; T245-G257 VanDerWaalsContact OG1-N 3.11Å; V255-G257 PolarHBondContact O-N 3.01Å; V255-G257 VanDerWaalsContact O-N 3.15Å
258L80.6Confident84.8Confident119 Ų11959.7 Ų59.762%0.62332%0.317SS*.EExtended strand (participates in β ladder)trans-101125177.5-68.3174.3000111.7E254 V255 D256 L260E254-L258 WeakPolarHBondContact CA-O 3.46Å; V255-L258 PolarHBondContact N-O 3.17Å; V255-L258 WeakPolarHBondContact O-CB 3.42Å; V255-L258 PolarHBondContact O-N 3.15Å; D256-L258 VanDerWaalsContact C-N 3.31Å; D256-L258 PolarHBondContact O-N 3.12Å; L258-L260 PolarHBondContact O-N 3.5Å
259P83.9Confident84.7Confident88 Ų8861 Ų6157%0.57134%0.337SS*.EExtended strand (participates in β ladder)trans-70.4116.3178.427.7-34.1000111.3I248I248-P259 HydrophobicContact CD1-CB 3.51Å
260L82.8Confident83.9Confident41 Ų4166.7 Ų66.722%0.21536%0.364CS..EExtended strand (participates in β ladder)trans-123151.2179.4-81.1153.7000111V228 A252 V253 V255 L258 L265V228-L260 HydrophobicContact CG1-CD1 3.58Å; V228-L260 HydrophobicContact CG1-CD2 4.32Å; V228-L260 HydrophobicContact CG2-CD1 4.45Å; A252-L260 WeakPolarHBondContact CA-O 3.28Å; V253-L260 PolarHBondContact N-O 3.22Å; V253-L260 PolarHBondContact O-N 2.82Å; V253-L260 VanDerWaalsContact O-O 3.09Å; V255-L260 HydrophobicContact CB-CD1 3.94Å; V255-L260 HydrophobicContact CG2-CD1 4.25Å; L258-L260 PolarHBondContact O-N 3.5Å; L260-L265 HydrophobicContact CB-CD2 4.28Å; L260-L265 HydrophobicContact CD1-CD2 4.39Å
261H86Confident82.5Confident53 Ų5368.9 Ų68.925%0.24539%0.385CS..EExtended strand (participates in β ladder)trans-80.4137.7176-169.3-83.3000109.6Q251 R263 D264Q251-H261 WeakPolarHBondContact O-CA 3.47Å; Q251-H261 PolarHBondContact O-CD2 3.2Å; H261-R263 VanDerWaalsContact CE1-CG 3.49Å; H261-R263 WeakPolarHBondContact CE1-CG 2.98Å; H261-R263 WeakPolarHBondContact ND1-CB 3.46Å; H261-R263 PolarHBondContact ND1-N 3.45Å; H261-R263 PolarHBondContact O-N 3.1Å; H261-D264 WeakPolarHBondContact O-CB 3.06Å; H261-D264 PolarHBondContact O-N 3.35Å
262I85Confident80.7Confident33 Ų3372.5 Ų72.517%0.16941%0.411CS..G310 helixtrans-55.5-25.3-176.158.3167000114.3P219 Y220 S250 Q251 V253 D264 L265P219-I262 HydrophobicContact CG-CD1 4.31Å; Y220-I262 HydrophobicContact CD2-CB 4.31Å; Y220-I262 HydrophobicContact CD2-CG2 3.91Å; Y220-I262 HydrophobicContact CE2-CB 4.01Å; Y220-I262 HydrophobicContact CE2-CG2 4.13Å; S250-I262 WeakPolarHBondContact O-CD1 3.5Å; Q251-I262 WeakPolarHBondContact O-CG1 3.43Å; Q251-I262 PolarHBondContact O-N 3.31Å; V253-I262 HydrophobicContact CG2-CG2 3.65Å; I262-D264 VanDerWaalsContact C-N 3.25Å; I262-D264 PolarHBondContact O-N 3.46Å; I262-L265 PolarHBondContact O-N 3.19Å
263R85.4Confident78.4Confident192 Ų19278.7 Ų78.773%0.72544%0.441SS*.G310 helixtrans-70.7-20.4177.5-66.9179.279.9-176.76.4113.5H261 L265 R266H261-R263 VanDerWaalsContact CE1-CG 3.49Å; H261-R263 WeakPolarHBondContact CE1-CG 2.98Å; H261-R263 WeakPolarHBondContact ND1-CB 3.46Å; H261-R263 PolarHBondContact ND1-N 3.45Å; H261-R263 PolarHBondContact O-N 3.1Å; R263-L265 VanDerWaalsContact C-N 3.31Å; R263-R266 PolarHBondContact O-NH1 3.06Å
264D85.5Confident76Confident51 Ų5183.8 Ų83.827%0.27348%0.476SS..G310 helixtrans-89.5-3.4175.2-65.5-35.1000111.9K229 H261 I262K229-D264 HydrophobicContact CB-CB 4.07Å; K229-D264 WeakPolarHBondContact CB-O 3.49Å; K229-D264 PolarHBondContact N-O 3.14Å; K229-D264 IonicContact NZ-OD1 3.47Å; H261-D264 WeakPolarHBondContact O-CB 3.06Å; H261-D264 PolarHBondContact O-N 3.35Å; I262-D264 VanDerWaalsContact C-N 3.25Å; I262-D264 PolarHBondContact O-N 3.46Å
265L88.4Confident73.1Confident1 Ų186.8 Ų86.81%0.00550%0.5CS..EExtended strand (participates in β ladder)trans-104.4148178.1-52.6-178.2000111.3Y220 V226 W227 V228 V253 V255 L260 I262 R263Y220-L265 HydrophobicContact CE2-CB 4.16Å; Y220-L265 HydrophobicContact CE2-CD1 4.45Å; Y220-L265 PolarHBondContact OH-O 3.09Å; V226-L265 HydrophobicContact CB-CB 4.41Å; V226-L265 HydrophobicContact CG2-CD1 4.45Å; V226-L265 HydrophobicContact CG2-CD2 4.13Å; W227-L265 CarbonylContact O-C 3.56Å; W227-L265 WeakPolarHBondContact O-CA 3.08Å; V228-L265 HydrophobicContact CB-CD2 4.38Å; V228-L265 HydrophobicContact CG1-CD2 4.35Å; V228-L265 HydrophobicContact CG2-CD2 3.89Å; V253-L265 HydrophobicContact CB-CD1 4.29Å; V255-L265 HydrophobicContact CG2-CD1 3.69Å; V255-L265 HydrophobicContact CG2-CD2 3.78Å; V255-L265 HydrophobicContact CG2-CG 4.41Å; L260-L265 HydrophobicContact CB-CD2 4.28Å; L260-L265 HydrophobicContact CD1-CD2 4.39Å; I262-L265 PolarHBondContact O-N 3.19Å; R263-L265 VanDerWaalsContact C-N 3.31Å
266R90.1Very high70.4Confident115 Ų11591.6 Ų91.643%0.43453%0.534SS..EExtended strand (participates in β ladder)trans-128.8142.2165.4-56.7-71179.7-85.6-2.7109V226 W227 Y239 R263 L268V226-R266 CarbonylContact C-O 3.48Å; V226-R266 WeakPolarHBondContact CA-O 3.26Å; V226-R266 WeakPolarHBondContact CB-O 3.39Å; W227-R266 HydrophobicContact CB-CB 4.15Å; W227-R266 PolarHBondContact N-O 2.92Å; W227-R266 PolarHBondContact O-N 2.85Å; Y239-R266 HydrophobicContact CD1-CG 4.44Å; Y239-R266 HydrophobicContact CE1-CG 4.1Å; R263-R266 PolarHBondContact O-NH1 3.06Å; R266-L268 PolarHBondContact O-N 3.11Å
267P89.1Confident67.5Low90 Ų9091.3 Ų91.358%0.58455%0.545SS*.EExtended strand (participates in β ladder)trans-56.8131173.3-21.132000110.5Y220 A269Y220-P267 HydrophobicContact CE1-CG 4.05Å; P267-A269 PolarHBondContact O-N 3.29Å
268L86Confident65.3Low47 Ų4797.4 Ų97.425%0.24657%0.566CS.*  trans-83.5102.7164.5-175.867000106.1A225 W227 T241 R266 L270A225-L268 HydrophobicContact CB-CB 3.87Å; A225-L268 HydrophobicContact CB-CD2 3.68Å; A225-L268 HydrophobicContact CB-CG 4.29Å; A225-L268 VanDerWaalsContact O-CB 3.22Å; A225-L268 WeakPolarHBondContact O-CB 3.31Å; A225-L268 PolarHBondContact O-N 3.01Å; W227-L268 HydrophobicContact CD2-CD1 4.18Å; W227-L268 HydrophobicContact CG-CD1 4.45Å; W227-L268 HydrophobicContact CZ2-CD1 3.5Å; T241-L268 HydrophobicContact CG2-CD2 3.92Å; R266-L268 PolarHBondContact O-N 3.11Å; L268-L270 PolarHBondContact O-N 2.73Å
269A74.4Confident63.2Low89 Ų89100 Ų10074%0.73658%0.575SS**  trans-61.3112.4172.400000108.1P267 A271P267-A269 PolarHBondContact O-N 3.29Å; A269-A271 PolarHBondContact O-N 3.49Å
270L62.6Low60.6Low146 Ų146104.2 Ų104.276%0.76459%0.592SS**  trans-63.3105.5164-67.2174000105.3L268 V272L268-L270 PolarHBondContact O-N 2.73Å; L270-V272 PolarHBondContact O-N 3.17Å
271A50.4Low58.4Low86 Ų86106.2 Ų106.271%0.71161%0.61SS**  trans-56.1110172.100000106.3A269 D273A269-A271 PolarHBondContact O-N 3.49Å; A271-D273 PolarHBondContact O-N 3.14Å
272V42.2Very low56.2Low132 Ų132112 Ų11280%0.864%0.637SS**  trans-51.7116.8171.7171.70000106L270 S274L270-V272 PolarHBondContact O-N 3.17Å; V272-S274 PolarHBondContact O-N 2.82Å
273D35.7Very low54Low148 Ų148117.9 Ų117.979%0.79167%0.669SS**  trans-54.985.6-178.8-69.7-46.2000110.2A271 T275A271-D273 PolarHBondContact O-N 3.14Å; D273-T275 PolarHBondContact O-N 3.36Å; D273-T275 VanDerWaalsContact O-N 3.09Å
274S34.7Very low51.7Low107 Ų107115 Ų11575%0.74867%0.668SS**  trans-7987.5157.7-640000105.5V272 S276V272-S274 PolarHBondContact O-N 2.82Å; S274-S276 PolarHBondContact O-N 2.99Å
275T29.5Very low49.5Very low138 Ų138120.3 Ų120.385%0.84769%0.691SS**  trans-43.8104.2170.8-46.70000110.8D273D273-T275 PolarHBondContact O-N 3.36Å; D273-T275 VanDerWaalsContact O-N 3.09Å
276S31.8Very low47.3Very low104 Ų104127.3 Ų127.373%0.72773%0.727SS**  trans-152.5106.5150.963.90000109.2S274 L278S274-S276 PolarHBondContact O-N 2.99Å; S276-L278 PolarHBondContact O-N 3.1Å
277A29.2Very low45Very low92 Ų92127.6 Ų127.676%0.7674%0.736SS**  trans-37.4115.616800000112.7
278L38.2Very low42.7Very low173 Ų173129.3 Ų129.391%0.90674%0.74SS**  trans-129.2109.4148.5-86.8168.2000106.6S276S276-L278 PolarHBondContact O-N 3.1Å
279E35.4Very low40.2Very low175 Ų175132.9 Ų132.982%0.81876%0.763SS**  trans-59.5143.2-175.9-60.5168.8145.900110.9S281E279-S281 PolarHBondContact O-N 3.49Å; E279-S281 VanDerWaalsContact O-N 3.13Å
280N31.3Very low38.5Very low175 Ų175136.2 Ų136.294%0.93676%0.762SS**  trans4.591.6155.1-74.3-16000116.3
281S36.2Very low37.2Very low84 Ų84135.3 Ų135.359%0.58776%0.764SS**  trans-123.6111.4157.6-177.30000107.4E279 D283E279-S281 PolarHBondContact O-N 3.49Å; E279-S281 VanDerWaalsContact O-N 3.13Å; S281-D283 PolarHBondContact O-N 2.77Å
282Q40Very low36.6Very low175 Ų175137.6 Ų137.682%0.81877%0.77SS**  trans-51.6129.1175.8-76168.5-83.500110.4D284Q282-D284 PolarHBondContact O-N 3.34Å; Q282-D284 VanDerWaalsContact O-N 3.16Å
283D37.8Very low36.2Very low156 Ų156141.9 Ų141.983%0.83477%0.771SS**  trans35.168.2153.3-60-36.7000114.8S281 E285S281-D283 PolarHBondContact O-N 2.77Å; D283-E285 PolarHBondContact O-N 3.21Å
284D37.3Very low36.4Very low132 Ų132139.6 Ų139.671%0.70677%0.767SS**  trans-65.584.5160.6-71.8-38.2000107.6Q282 I286Q282-D284 PolarHBondContact O-N 3.34Å; Q282-D284 VanDerWaalsContact O-N 3.16Å; D284-I286 PolarHBondContact O-N 3.37Å
285E39.7Very low36.8Very low161 Ų161143.3 Ų143.375%0.75277%0.772SS**  trans-52.1104.4162.8-176.7176-179.800106.5D283 I287D283-E285 PolarHBondContact O-N 3.21Å; E285-I287 HydrophobicContact CG-CG1 4.17Å; E285-I287 PolarHBondContact O-N 2.72Å
286I42.8Very low36.8Very low148 Ų148142.9 Ų142.976%0.75977%0.77SS**  trans-66.184.9176.5-58.8166.8000106.8D284 L288D284-I286 PolarHBondContact O-N 3.37Å; I286-L288 HydrophobicContact CG2-CD2 4.31Å; I286-L288 PolarHBondContact O-N 2.7Å
287I41.6Very low37Very low121 Ų121143.9 Ų143.962%0.62177%0.772SS**  trans-69.199.6171.4-62.4179.5000106E285 T289E285-I287 HydrophobicContact CG-CG1 4.17Å; E285-I287 PolarHBondContact O-N 2.72Å; I287-T289 PolarHBondContact O-N 3.44Å; I287-T289 PolarHBondContact O-OG1 2.76Å
288L39.5Very low37.2Very low127 Ų127147.6 Ų147.667%0.66577%0.773SS**  trans-62.489.5167.9-67.2171.7000107.8I286 F290I286-L288 HydrophobicContact CG2-CD2 4.31Å; I286-L288 PolarHBondContact O-N 2.7Å; L288-F290 HydrophobicContact CB-CE2 4.21Å; L288-F290 HydrophobicContact CB-CZ 4.47Å; L288-F290 VanDerWaalsContact O-CD2 3.23Å; L288-F290 WeakPolarHBondContact O-CD2 3.14Å; L288-F290 PolarHBondContact O-N 3.18Å
289T33.9Very low37Very low121 Ų121146 Ų14674%0.74277%0.771SS**  trans-71.799.7177.9-58.40000108I287I287-T289 PolarHBondContact O-N 3.44Å; I287-T289 PolarHBondContact O-OG1 2.76Å
290F38.8Very low37Very low160 Ų160143.4 Ų143.470%0.70277%0.769SS**  trans-70.6131.3171.8-67.2-82.9000109.1L288 T292L288-F290 HydrophobicContact CB-CE2 4.21Å; L288-F290 HydrophobicContact CB-CZ 4.47Å; L288-F290 VanDerWaalsContact O-CD2 3.23Å; L288-F290 WeakPolarHBondContact O-CD2 3.14Å; L288-F290 PolarHBondContact O-N 3.18Å; F290-T292 PolarHBondContact O-N 3.16Å
291P35.8Very low37.1Very low126 Ų126140.8 Ų140.882%0.81877%0.765SS**  trans-58.4112.3175.8-20.631000109.5R293P291-R293 PolarHBondContact O-N 3.34Å; P291-R293 VanDerWaalsContact O-N 3.12Å
292T36.2Very low36.8Very low134 Ų134140.2 Ų140.282%0.82277%0.772SS**  trans-71.1110.1172.4-59.90000107F290 S294F290-T292 PolarHBondContact O-N 3.16Å; T292-S294 PolarHBondContact O-N 3.44Å; T292-S294 VanDerWaalsContact O-N 3.13Å
293R35.6Very low36.6Very low223 Ų223140.7 Ų140.784%0.84277%0.774SS**  trans-53.6117.2174.8179.7176.3179.7171.3-0.3108.8P291 E295P291-R293 PolarHBondContact O-N 3.34Å; P291-R293 VanDerWaalsContact O-N 3.12Å; R293-E295 PolarHBondContact O-N 3.35Å; R293-E295 VanDerWaalsContact O-N 3.08Å
294S40Very low36.4Very low99 Ų99140.4 Ų140.469%0.69277%0.771SS**  trans-58.8109.8172.3-43.70000108.7T292 T296T292-S294 PolarHBondContact O-N 3.44Å; T292-S294 VanDerWaalsContact O-N 3.13Å; S294-T296 PolarHBondContact O-N 2.77Å
295E42.8Very low36.5Very low185 Ų185141 Ų14186%0.86477%0.774SS**  trans-76.379.9169.2-71-174.616700108.3R293 T297R293-E295 PolarHBondContact O-N 3.35Å; R293-E295 VanDerWaalsContact O-N 3.08Å; E295-T297 VanDerWaalsContact C-N 3.32Å; E295-T297 PolarHBondContact O-N 2.72Å
296T28.4Very low36.3Very low130 Ų130140.6 Ų140.680%0.79878%0.777SS**  trans-80.984.7166-18.50000107.4S294S294-T296 PolarHBondContact O-N 2.77Å
297T36.5Very low36.2Very low125 Ų125138.3 Ų138.377%0.76777%0.772SS**  trans-132.595.4166.4-45.20000109.2E295E295-T297 VanDerWaalsContact C-N 3.32Å; E295-T297 PolarHBondContact O-N 2.72Å
298E34.4Very low36.3Very low170 Ų170138.3 Ų138.379%0.79478%0.78SS**  trans11.7123.7146-61.2-179.8163.800117.7P300E298-P300 WeakPolarHBondContact O-CD 3.09Å
299T32.5Very low36.6Very low138 Ų138141.6 Ų141.685%0.84779%0.792SS**  trans-51.3114169.8-49.20000112.2
300P35.9Very low37.4Very low122 Ų122144.2 Ų144.279%0.79280%0.796SS**  trans-91.5107.2164.8417.5000108E298 G302E298-P300 WeakPolarHBondContact O-CD 3.09Å; P300-G302 PolarHBondContact O-N 2.75Å
301S33.2Very low38Very low120 Ų120143.6 Ų143.684%0.83980%0.795SS**  trans-68.1120163.663.80000109
302G30.2Very low38.6Very low71 Ų71141.8 Ų141.873%0.73278%0.783SS**  trans154.297.3165.600000116.3P300P300-G302 PolarHBondContact O-N 2.75Å
303Q35.6Very low39.3Very low185 Ų185145.3 Ų145.386%0.86478%0.781SS**  trans60.696148.5-68.3-175-5900119.7N305Q303-N305 PolarHBondContact O-N 3.07Å
304I33.4Very low40.3Very low150 Ų150146.1 Ų146.177%0.76978%0.784SS**  trans-19.9112.8143.3-56.5163.4000112.8
305N40.6Very low41.2Very low144 Ų144146.9 Ų146.977%0.7779%0.79SS**  trans-140.697.6149.5-78-56.7000105.3Q303 P307Q303-N305 PolarHBondContact O-N 3.07Å; N305-P307 WeakPolarHBondContact O-CD 3.42Å
306D35.5Very low41.7Very low154 Ų154141.3 Ų141.382%0.82478%0.775SS**  trans-58.7114.4177.6-76.5-48.1000110.1
307P40.4Very low43Very low100 Ų100140.3 Ų140.365%0.64976%0.76SS**  trans-80.1147.4171.4-3.823.5000109.4N305N305-P307 WeakPolarHBondContact O-CD 3.42Å
308P43.9Very low43.8Very low120 Ų120143.2 Ų143.278%0.77977%0.767SS**  trans-63.5144.5-175.927.3-33.7000111.3Q310P308-Q310 PolarHBondContact O-N 2.65Å
309E45.3Very low44.7Very low197 Ų197146.6 Ų146.692%0.92177%0.772SS**  trans-28.7102.6179.2-66.2178.6158.600112.6E311E309-E311 PolarHBondContact O-N 3.31Å; E309-E311 VanDerWaalsContact O-N 3.16Å
310Q51.4Low45.9Very low176 Ų176149.5 Ų149.582%0.82277%0.773SS**PPolyproline II helixtrans-65.1117.3175.5-76.9-177.3-9.600108.9P308P308-Q310 PolarHBondContact O-N 2.65Å
311E50.7Low46.1Very low147 Ų147149.3 Ų149.369%0.68777%0.772SS**PPolyproline II helixtrans-46.6137.9168.8-91.3-158.812800110.1E309 R313 K317E309-E311 PolarHBondContact O-N 3.31Å; E309-E311 VanDerWaalsContact O-N 3.16Å; E311-R313 PolarHBondContact O-N 2.97Å; E311-K317 IonicContact OE1-NZ 2.91Å; E311-K317 PolarHBondContact OE1-NZ 3.08Å; E311-K317 IonicContact OE2-NZ 3.13Å; E311-K317 PolarHBondContact OE2-NZ 2.72Å
312P47.5Very low46.7Very low87 Ų87154.4 Ų154.457%0.56577%0.773SS**PPolyproline II helixtrans-52135.8178.6-24.631000111.7R314 A316P312-R314 PolarHBondContact O-N 3.45Å; P312-A316 HydrophobicContact CB-CB 4.23Å
313R51.9Low47.2Very low208 Ų208157.7 Ų157.779%0.78578%0.779SS**  trans-45.4142.8174.7-70.1179177.3155.9-0110.2E311 S315 A316E311-R313 PolarHBondContact O-N 2.97Å; R313-S315 PolarHBondContact O-N 3.12Å; R313-A316 PolarHBondContact O-N 2.92Å
314R56.3Low47.3Very low240 Ų240158.2 Ų158.291%0.90678%0.778SS**THydrogen-bonded Turntrans-49.8-24.4-177.7-119.2-176.8-165.4-146.83.8115P312P312-R314 PolarHBondContact O-N 3.45Å
315S59.8Low47.7Very low116 Ų116155.2 Ų155.281%0.81178%0.776SS**THydrogen-bonded Turntrans-72.3-24.7175.851.90000114.1R313R313-S315 PolarHBondContact O-N 3.12Å
316A52Low47.2Very low67 Ų67153.8 Ų153.855%0.55478%0.776SS**THydrogen-bonded Turntrans-94.5-9.3-177.500000113.7P312 R313 M318P312-A316 HydrophobicContact CB-CB 4.23Å; R313-A316 PolarHBondContact O-N 2.92Å; A316-M318 PolarHBondContact O-N 3.28Å; A316-M318 VanDerWaalsContact O-N 3.16Å
317K55.9Low47Very low109 Ų109152.3 Ų152.347%0.47478%0.777SS.*SBendtrans-71.1109.1177.4-109.8171.1179.1162.60109.8E311 R319E311-K317 IonicContact OE1-NZ 2.91Å; E311-K317 PolarHBondContact OE1-NZ 3.08Å; E311-K317 IonicContact OE2-NZ 3.13Å; E311-K317 PolarHBondContact OE2-NZ 2.72Å; K317-R319 PolarHBondContact O-N 2.72Å
318M54.4Low46.5Very low187 Ų187154.3 Ų154.392%0.92178%0.782SS**  trans-57.5123.4172.7-78.2-171.677.100110.4A316 K320A316-M318 PolarHBondContact O-N 3.28Å; A316-M318 VanDerWaalsContact O-N 3.16Å; M318-K320 PolarHBondContact O-N 3.17Å
319R53.3Low45.9Very low241 Ų241154.1 Ų154.191%0.90978%0.782SS**  trans-82.5107.7-177.3-66.6-178.4171.1177.6-2.6109.7K317K317-R319 PolarHBondContact O-N 2.72Å
320K55.8Low45.3Very low198 Ų198151.2 Ų151.286%0.86178%0.778SS**PPolyproline II helixtrans-70.4132.8168.4-74.7-175.2177.2-179.40109.7M318M318-K320 PolarHBondContact O-N 3.17Å
321P40.5Very low44.5Very low118 Ų118148.6 Ų148.677%0.76678%0.779SS**PPolyproline II helixtrans-61.7140.6175.723.8-30.8000110.4T323P321-T323 PolarHBondContact O-N 2.93Å
322R47.3Very low43.5Very low228 Ų228153 Ų15386%0.8679%0.79SS**PPolyproline II helixtrans-63.5118.7175.4-86.8178.5166.9171.1-6109.1F324R322-F324 PolarHBondContact O-N 3.19Å
323T40.2Very low42.7Very low140 Ų140152.3 Ų152.386%0.85980%0.798SS**  trans-67.3109.1162.431.40000108.2P321 A325P321-T323 PolarHBondContact O-N 2.93Å; T323-A325 PolarHBondContact O-N 3.17Å
324F38Very low41.8Very low195 Ų195148.1 Ų148.186%0.85580%0.801SS**  trans-70.5104.2168.1-85.3-95.8000107.7R322 C326R322-F324 PolarHBondContact O-N 3.19Å; F324-C326 PolarHBondContact O-N 3.49Å
325A40.9Very low40.8Very low87 Ų87142.9 Ų142.972%0.71980%0.795SS**  trans-74.7103.2160.200000106.6T323 C327T323-A325 PolarHBondContact O-N 3.17Å; A325-C327 PolarHBondContact O-N 3.42Å; A325-C327 VanDerWaalsContact O-N 3.15Å
326C30.8Very low39.7Very low114 Ų114142.1 Ų142.177%0.7779%0.787SS**  trans-58.9115165-100.20000107.7F324 D328F324-C326 PolarHBondContact O-N 3.49Å; C326-D328 PolarHBondContact O-N 3.04Å
327C30.1Very low38.9Very low124 Ų124145.5 Ų145.584%0.83880%0.796SS**  trans-76.579.4169.2-66.10000108.3A325A325-C327 PolarHBondContact O-N 3.42Å; A325-C327 VanDerWaalsContact O-N 3.15Å
328D30.4Very low38Very low141 Ų141147.3 Ų147.375%0.75481%0.811SS**  trans-135140.1162.6-86.9-37.5000109.2C326C326-D328 PolarHBondContact O-N 3.04Å
329C32.4Very low37.2Very low117 Ų117146.6 Ų146.679%0.79180%0.803SS**  trans82.988.8170.5-48.60000116.7
330T32.8Very low36.6Very low135 Ų135140 Ų14083%0.82879%0.793SS**  -174.386.6111.225.80000110.9R332T330-R332 PolarHBondContact O-N 3.03Å; T330-R332 VanDerWaalsContact O-N 3.1Å
331S33.8Very low35.9Very low122 Ų122138.3 Ų138.385%0.85379%0.794SS**  trans-65.796.2152.555.60000108.9
332R29.9Very low35.8Very low239 Ų239140.7 Ų140.790%0.90280%0.798SS**  trans-124.162.8159.4-103.8-173.2171.1-141.40.1108.6T330 S334T330-R332 PolarHBondContact O-N 3.03Å; T330-R332 VanDerWaalsContact O-N 3.1Å; R332-S334 PolarHBondContact O-N 3.37Å
333G30.5Very low35.3Very low72 Ų72144.7 Ų144.774%0.74281%0.814SS**  trans-73.7105.7162.800000108.2V335G333-V335 PolarHBondContact O-N 3.42Å
334S32.4Very low35.1Very low121 Ų121144.9 Ų144.985%0.84681%0.811SS**PPolyproline II helixtrans-60.3118.9173.2-134.20000109.2R332 P336R332-S334 PolarHBondContact O-N 3.37Å; S334-P336 WeakPolarHBondContact O-CD 3.47Å
335V35.9Very low34.9Very low129 Ų129142.3 Ų142.378%0.78281%0.809SS**PPolyproline II helixtrans-74.4121.2173.8176.60000108.2G333 N337G333-V335 PolarHBondContact O-N 3.42Å; V335-N337 PolarHBondContact O-N 3.01Å
336P36.9Very low34.6Very low100 Ų100145.3 Ų145.365%0.64981%0.814SS**PPolyproline II helixtrans-72.6122.7175.128.7-30.1000109.4S334 N338S334-P336 WeakPolarHBondContact O-CD 3.47Å; P336-N338 PolarHBondContact O-N 3.4Å
337N33.9Very low34.8Very low138 Ų138147.2 Ų147.274%0.73882%0.817SS**  trans-78.780.9-177.5-1592.7000109.4V335 K339V335-N337 PolarHBondContact O-N 3.01Å; N337-K339 VanDerWaalsContact C-N 3.27Å; N337-K339 PolarHBondContact O-N 3.12Å
338N38.7Very low35.1Very low148 Ų148148.6 Ų148.679%0.79182%0.815SS**  trans-78.280.1172.6-74-11.1000109.2P336 S340P336-N338 PolarHBondContact O-N 3.4Å; N338-S340 PolarHBondContact O-N 3.26Å
339K36.9Very low35.4Very low171 Ų171149.1 Ų149.174%0.74382%0.819SS**  trans-72104.5159.4-82.9-175175.4-1780107.4N337 D341N337-K339 VanDerWaalsContact C-N 3.27Å; N337-K339 PolarHBondContact O-N 3.12Å; K339-D341 PolarHBondContact O-N 3.23Å
340S41.6Very low35.6Very low102 Ų102151.4 Ų151.471%0.71382%0.821SS**  trans-57.8115.1161.548.20000108.9N338 I342N338-S340 PolarHBondContact O-N 3.26Å; S340-I342 PolarHBondContact O-N 3.32Å; S340-I342 VanDerWaalsContact O-N 3.15Å
341D41.1Very low35.9Very low163 Ų163152.7 Ų152.787%0.87282%0.821SS**  trans-60.6112.6165.7-77.4-44.3000108.6K339 R343K339-D341 PolarHBondContact O-N 3.23Å; D341-R343 PolarHBondContact O-N 3.15Å
342I37.5Very low36Very low168 Ų168155.3 Ų155.386%0.86282%0.818SS**  trans-74.5105.5166-65.6168.3000106S340S340-I342 PolarHBondContact O-N 3.32Å; S340-I342 VanDerWaalsContact O-N 3.15Å
343R37.2Very low36.6Very low312 Ų312147.6 Ų147.6100%1.17781%0.811SS**  trans-148.60149.7-146.6178.8-167.11794111.4D341D341-R343 PolarHBondContact O-N 3.15Å

Retrieved 343 of 343 residues in 216.1 ms (Link to these results)

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