G4VEP8_SCHMA Loading...

Caprin-1

AlphaFold DB , UniProt , Accession G4VEP8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 517 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
1M33.2Very low68.9Low241 Ų241102.4 Ų102.4100%1.18755%0.553SS**  0152.30-70.2149.668.500107.2
2L36.2Very low71.2Confident169 Ų169101.1 Ų101.189%0.88553%0.534SS*.  trans-66.2148163.9-72.588.7000108.2C4L2-C4 PolarHBondContact O-N 2.69Å
3E37.1Very low73Confident186 Ų186102.1 Ų102.187%0.86953%0.534SS*.  trans-65.6103.6168.4-74.2167122.100107.9D5E3-D5 PolarHBondContact O-N 3.31Å
4C39.8Very low74.7Confident117 Ų117102.6 Ų102.679%0.79153%0.53SS*.  trans-77.9101.2163.7-167.60000105.7L2 S6L2-C4 PolarHBondContact O-N 2.69Å; C4-S6 PolarHBondContact O-N 2.93Å
5D62.3Low76.2Confident89 Ų8996.9 Ų96.948%0.47650%0.501SS..  trans-45.3126.9171.9-79.7-40.4000108.8E3 E9 L10E3-D5 PolarHBondContact O-N 3.31Å; D5-E9 HydrophobicContact CB-CB 4.48Å; D5-L10 HydrophobicContact CB-CD2 3.93Å; D5-L10 HydrophobicContact CB-CG 4.16Å
6S84.8Confident77.5Confident57 Ų5795.1 Ų95.140%0.39950%0.499SS..  trans-52.5145.1-173700000110.3C4 C8 E9 L10C4-S6 PolarHBondContact O-N 2.93Å; S6-C8 PolarHBondContact O-N 3.3Å; S6-E9 WeakPolarHBondContact O-CA 3.19Å; S6-E9 WeakPolarHBondContact O-CB 3.4Å; S6-E9 PolarHBondContact O-N 3.04Å; S6-E9 PolarHBondContact OG-N 3.31Å; S6-L10 PolarHBondContact O-N 2.86Å
7P87.9Confident78.7Confident76 Ų7694.5 Ų94.549%0.49450%0.496SS..Hα-helixtrans-52.3-32.6-177-30.736.7000113.7V11 M80P7-V11 WeakPolarHBondContact O-CG2 3.03Å; P7-V11 PolarHBondContact O-N 2.94Å; P7-M80 HydrophobicContact CB-CE 3.57Å; P7-M80 WeakPolarHBondContact O-CE 3.43Å
8C93.2Very high79.8Confident4 Ų490.4 Ų90.43%0.02748%0.475CS..Hα-helixtrans-66.7-37.9173.5-53.70000112.9S6 V11 R12 L77 E81S6-C8 PolarHBondContact O-N 3.3Å; C8-V11 CarbonylContact O-C 3.58Å; C8-V11 PolarHBondContact O-N 3.24Å; C8-R12 VanDerWaalsContact O-CG 3.31Å; C8-R12 WeakPolarHBondContact O-CG 3.38Å; C8-R12 PolarHBondContact O-N 3.48Å; C8-L77 HydrophobicContact CB-CD1 3.89Å; C8-L77 WeakPolarHBondContact O-CD1 3.31Å; C8-E81 HydrophobicContact CB-CG 4Å
9E93.3Very high80.7Confident76 Ų7688.6 Ų88.636%0.35546%0.464SS..Hα-helixtrans-67.7-40.1178.7-16856.2-134.500112.3D5 S6 V11 R12 Q13D5-E9 HydrophobicContact CB-CB 4.48Å; S6-E9 WeakPolarHBondContact O-CA 3.19Å; S6-E9 WeakPolarHBondContact O-CB 3.4Å; S6-E9 PolarHBondContact O-N 3.04Å; S6-E9 PolarHBondContact OG-N 3.31Å; E9-V11 PolarHBondContact O-N 3.04Å; E9-R12 WeakPolarHBondContact O-CB 3.42Å; E9-R12 PolarHBondContact O-N 3.49Å; E9-R12 VanDerWaalsContact O-N 3.16Å; E9-R12 WeakPolarHBondContact OE2-CD 3.47Å; E9-R12 IonicContact OE2-CZ 2.86Å; E9-R12 IonicContact OE2-NE 2.68Å; E9-R12 IonicContact OE2-NH1 2.72Å; E9-R12 PolarHBondContact OE2-NH1 2.59Å; E9-Q13 WeakPolarHBondContact O-CB 3.22Å; E9-Q13 PolarHBondContact O-N 2.86Å
10L94Very high81.6Confident88 Ų8892.2 Ų92.246%0.46147%0.471SS..Hα-helixtrans-58.6-39.8172.1-64175.4000111.3D5 S6 Q13 F14D5-L10 HydrophobicContact CB-CD2 3.93Å; D5-L10 HydrophobicContact CB-CG 4.16Å; S6-L10 PolarHBondContact O-N 2.86Å; L10-Q13 PolarHBondContact O-N 3Å; L10-F14 WeakPolarHBondContact O-CB 3.49Å; L10-F14 PolarHBondContact O-N 2.96Å
11V95.8Very high82.4Confident23 Ų2394.1 Ų94.114%0.13947%0.472CS..Hα-helixtrans-71.1-37.4175.3175.50000112.2P7 C8 E9 F14 L15 T73 L77 M80P7-V11 WeakPolarHBondContact O-CG2 3.03Å; P7-V11 PolarHBondContact O-N 2.94Å; C8-V11 CarbonylContact O-C 3.58Å; C8-V11 PolarHBondContact O-N 3.24Å; E9-V11 PolarHBondContact O-N 3.04Å; V11-F14 PolarHBondContact O-N 2.94Å; V11-L15 VanDerWaalsContact O-CB 3.26Å; V11-L15 WeakPolarHBondContact O-CB 3.48Å; V11-L15 PolarHBondContact O-N 2.91Å; V11-T73 HydrophobicContact CG1-CG2 3.89Å; V11-L77 HydrophobicContact CB-CD1 4.24Å; V11-L77 HydrophobicContact CG1-CB 3.92Å; V11-L77 HydrophobicContact CG1-CD1 4.11Å; V11-M80 HydrophobicContact CG2-CE 3.98Å; V11-M80 HydrophobicContact CG2-SD 3.87Å
12R96.4Very high85.4Confident87 Ų8785.2 Ų85.233%0.32843%0.428SS..Hα-helixtrans-61.5-42.4171.7-70169.7-154.8137.2-0.4111.6C8 E9 L15 S16 L77 E81C8-R12 VanDerWaalsContact O-CG 3.31Å; C8-R12 WeakPolarHBondContact O-CG 3.38Å; C8-R12 PolarHBondContact O-N 3.48Å; E9-R12 WeakPolarHBondContact O-CB 3.42Å; E9-R12 PolarHBondContact O-N 3.49Å; E9-R12 VanDerWaalsContact O-N 3.16Å; E9-R12 WeakPolarHBondContact OE2-CD 3.47Å; E9-R12 IonicContact OE2-CZ 2.86Å; E9-R12 IonicContact OE2-NE 2.68Å; E9-R12 IonicContact OE2-NH1 2.72Å; E9-R12 PolarHBondContact OE2-NH1 2.59Å; R12-L15 PolarHBondContact O-N 2.95Å; R12-S16 WeakPolarHBondContact O-CB 3.22Å; R12-S16 PolarHBondContact O-N 3.16Å; R12-L77 HydrophobicContact CG-CD1 3.89Å; R12-L77 HydrophobicContact CG-CD2 3.63Å; R12-L77 HydrophobicContact CG-CG 4.43Å; R12-E81 IonicContact CZ-OE1 2.61Å; R12-E81 VanDerWaalsContact CZ-OE1 3.25Å; R12-E81 IonicContact NE-OE1 2.67Å; R12-E81 PolarHBondContact NE-OE1 3.19Å; R12-E81 IonicContact NH2-OE1 3.83Å; R12-E81 PolarHBondContact NH2-OE1 2.96Å
13Q95.5Very high88.4Confident114 Ų11483.9 Ų83.953%0.53341%0.411SS..Hα-helixtrans-65.1-42.7176.5-166-167.783.900111.6E9 L10 S16 N17E9-Q13 WeakPolarHBondContact O-CB 3.22Å; E9-Q13 PolarHBondContact O-N 2.86Å; L10-Q13 PolarHBondContact O-N 3Å; Q13-S16 PolarHBondContact O-N 2.84Å; Q13-N17 PolarHBondContact O-N 2.94Å; Q13-N17 PolarHBondContact O-ND2 3.32Å
14F96.4Very high91.3Very high110 Ų11079 Ų7948%0.48239%0.391SS..Hα-helixtrans-61.5-47.7173.7178.3-112.9000111.8L10 V11 S16 N17 L18 T73L10-F14 WeakPolarHBondContact O-CB 3.49Å; L10-F14 PolarHBondContact O-N 2.96Å; V11-F14 PolarHBondContact O-N 2.94Å; F14-S16 PolarHBondContact O-N 3.27Å; F14-N17 WeakPolarHBondContact O-CB 3.39Å; F14-N17 PolarHBondContact O-N 3.33Å; F14-N17 VanDerWaalsContact O-N 3.16Å; F14-L18 HydrophobicContact CD1-CD1 3.95Å; F14-L18 HydrophobicContact CE1-CD1 3.52Å; F14-L18 HydrophobicContact CE1-CG 4.28Å; F14-L18 HydrophobicContact CE2-CG 4.48Å; F14-L18 HydrophobicContact CZ-CD1 3.85Å; F14-L18 HydrophobicContact CZ-CD2 4.28Å; F14-L18 HydrophobicContact CZ-CG 4.21Å; F14-L18 PolarHBondContact O-N 3.5Å; F14-T73 HydrophobicContact CD1-CG2 3.85Å; F14-T73 HydrophobicContact CE1-CG2 4.25Å
15L97.6Very high94Very high17 Ų1774 Ų749%0.08936%0.356CS..Hα-helixtrans-58.1-45.5176.6178.959.9000112.4V11 R12 N17 L18 E19 V70 T73 K74 L77V11-L15 VanDerWaalsContact O-CB 3.26Å; V11-L15 WeakPolarHBondContact O-CB 3.48Å; V11-L15 PolarHBondContact O-N 2.91Å; R12-L15 PolarHBondContact O-N 2.95Å; L15-N17 VanDerWaalsContact C-N 3.28Å; L15-N17 PolarHBondContact O-N 2.88Å; L15-L18 WeakPolarHBondContact O-CB 3.44Å; L15-L18 PolarHBondContact O-N 3.34Å; L15-L18 VanDerWaalsContact O-N 3.11Å; L15-E19 HydrophobicContact CD1-CG 4.41Å; L15-E19 PolarHBondContact O-N 2.88Å; L15-V70 HydrophobicContact CD1-CG1 4.15Å; L15-T73 HydrophobicContact CB-CG2 3.89Å; L15-T73 HydrophobicContact CD1-CG2 4.04Å; L15-T73 HydrophobicContact CG-CG2 4.46Å; L15-K74 HydrophobicContact CD1-CG 3.89Å; L15-K74 HydrophobicContact CD2-CG 3.64Å; L15-K74 HydrophobicContact CG-CG 4.42Å; L15-L77 HydrophobicContact CD2-CD2 4.15Å
16S97.5Very high95.7Very high67 Ų6771.3 Ų71.347%0.46935%0.349SS..Hα-helixtrans-58.5-39.3176.8-1780000112.3R12 Q13 F14 R20R12-S16 WeakPolarHBondContact O-CB 3.22Å; R12-S16 PolarHBondContact O-N 3.16Å; Q13-S16 PolarHBondContact O-N 2.84Å; F14-S16 PolarHBondContact O-N 3.27Å; S16-R20 WeakPolarHBondContact O-CB 3.43Å; S16-R20 PolarHBondContact O-N 3.35Å
17N97.4Very high96.3Very high85 Ų8575.6 Ų75.646%0.45536%0.361SS..Hα-helixtrans-67.8-39.6174.2-78.6-63.5000112.6Q13 F14 L15 R20 R21Q13-N17 PolarHBondContact O-N 2.94Å; Q13-N17 PolarHBondContact O-ND2 3.32Å; F14-N17 WeakPolarHBondContact O-CB 3.39Å; F14-N17 PolarHBondContact O-N 3.33Å; F14-N17 VanDerWaalsContact O-N 3.16Å; L15-N17 VanDerWaalsContact C-N 3.28Å; L15-N17 PolarHBondContact O-N 2.88Å; N17-R20 WeakPolarHBondContact O-CB 3.4Å; N17-R20 PolarHBondContact O-N 3.36Å; N17-R21 PolarHBondContact O-N 3.45Å
18L97.7Very high96.8Very high22 Ų2278 Ų7812%0.11536%0.36CS..Hα-helixtrans-63.7-45.3173.5-68.2173.4000112.1F14 L15 R20 R21 Q22 I69 V70 T73F14-L18 HydrophobicContact CD1-CD1 3.95Å; F14-L18 HydrophobicContact CE1-CD1 3.52Å; F14-L18 HydrophobicContact CE1-CG 4.28Å; F14-L18 HydrophobicContact CE2-CG 4.48Å; F14-L18 HydrophobicContact CZ-CD1 3.85Å; F14-L18 HydrophobicContact CZ-CD2 4.28Å; F14-L18 HydrophobicContact CZ-CG 4.21Å; F14-L18 PolarHBondContact O-N 3.5Å; L15-L18 WeakPolarHBondContact O-CB 3.44Å; L15-L18 PolarHBondContact O-N 3.34Å; L15-L18 VanDerWaalsContact O-N 3.11Å; L18-R20 VanDerWaalsContact C-N 3.27Å; L18-R20 PolarHBondContact O-N 3.41Å; L18-R21 CarbonylContact O-C 3.59Å; L18-R21 WeakPolarHBondContact O-CA 3.06Å; L18-R21 WeakPolarHBondContact O-CB 3.32Å; L18-R21 PolarHBondContact O-N 2.65Å; L18-R21 VanDerWaalsContact O-N 3.07Å; L18-Q22 WeakPolarHBondContact O-CB 3.34Å; L18-Q22 PolarHBondContact O-N 3.26Å; L18-I69 HydrophobicContact CD1-CB 4.49Å; L18-I69 HydrophobicContact CD1-CG2 3.59Å; L18-I69 HydrophobicContact CD2-CG2 4.3Å; L18-V70 HydrophobicContact CB-CG2 3.6Å; L18-V70 HydrophobicContact CD1-CG2 4.46Å; L18-T73 HydrophobicContact CD1-CG2 4.48Å
19E98Very high97Very high56 Ų5680.7 Ų80.726%0.26237%0.371SS..Hα-helixtrans-64.3-31.9175.5-69.2-167.3153.700112.2L15 R23 V70 K74L15-E19 HydrophobicContact CD1-CG 4.41Å; L15-E19 PolarHBondContact O-N 2.88Å; E19-R23 WeakPolarHBondContact O-CB 3.47Å; E19-R23 VanDerWaalsContact O-CG 3.3Å; E19-R23 WeakPolarHBondContact O-CG 3.5Å; E19-R23 PolarHBondContact O-N 3.34Å; E19-R23 VanDerWaalsContact O-N 3.08Å; E19-R23 PolarHBondContact O-NE 2.95Å; E19-V70 HydrophobicContact CG-CG1 4.25Å; E19-V70 HydrophobicContact CG-CG2 4.4Å; E19-K74 WeakPolarHBondContact OE1-CE 3.34Å; E19-K74 IonicContact OE1-NZ 3.21Å; E19-K74 PolarHBondContact OE1-NZ 2.61Å
20R98.1Very high97.2Very high159 Ų15980.9 Ų80.960%0.638%0.381SS*.Hα-helixtrans-66.9-42.2170.5-171.5178-176.9-179.10.7111.2S16 N17 L18 N24S16-R20 WeakPolarHBondContact O-CB 3.43Å; S16-R20 PolarHBondContact O-N 3.35Å; N17-R20 WeakPolarHBondContact O-CB 3.4Å; N17-R20 PolarHBondContact O-N 3.36Å; L18-R20 VanDerWaalsContact C-N 3.27Å; L18-R20 PolarHBondContact O-N 3.41Å; R20-N24 WeakPolarHBondContact O-CB 3.39Å; R20-N24 VanDerWaalsContact O-CG 3.25Å; R20-N24 PolarHBondContact O-N 2.86Å; R20-N24 PolarHBondContact O-ND2 3.03Å
21R97.5Very high97.3Very high134 Ų13482.9 Ų82.951%0.50639%0.386SS..Hα-helixtrans-62.4-45.6174.7179.462.6175.6-157.3-2.4111.6N17 L18 N24 L25 V66N17-R21 PolarHBondContact O-N 3.45Å; L18-R21 CarbonylContact O-C 3.59Å; L18-R21 WeakPolarHBondContact O-CA 3.06Å; L18-R21 WeakPolarHBondContact O-CB 3.32Å; L18-R21 PolarHBondContact O-N 2.65Å; L18-R21 VanDerWaalsContact O-N 3.07Å; R21-N24 PolarHBondContact O-N 2.94Å; R21-L25 HydrophobicContact CG-CD1 4.08Å; R21-L25 WeakPolarHBondContact O-CG 3.4Å; R21-L25 PolarHBondContact O-N 3.46Å; R21-V66 HydrophobicContact CG-CG1 4.43Å; R21-V66 HydrophobicContact CG-CG2 4.15Å
22Q97.7Very high97.4Very high53 Ų5382 Ų8225%0.24838%0.381CS..Hα-helixtrans-56.9-51.1176.3-166.7-168.7-1.800111.3L18 N24 L25 G26 V66 Q67L18-Q22 WeakPolarHBondContact O-CB 3.34Å; L18-Q22 PolarHBondContact O-N 3.26Å; Q22-N24 VanDerWaalsContact C-N 3.32Å; Q22-N24 PolarHBondContact O-N 3.17Å; Q22-L25 PolarHBondContact O-N 3.09Å; Q22-G26 PolarHBondContact O-N 3.23Å; Q22-V66 HydrophobicContact CB-CG1 3.79Å; Q22-V66 HydrophobicContact CG-CG1 4.34Å; Q22-Q67 HydrophobicContact CG-CG 4.36Å
23R97.8Very high97.4Very high141 Ų14180.4 Ų80.453%0.53238%0.379SS..Hα-helixtrans-60.8-38.1177-74.5175.3-73.2-176-4.3112.5E19 K27E19-R23 WeakPolarHBondContact O-CB 3.47Å; E19-R23 VanDerWaalsContact O-CG 3.3Å; E19-R23 WeakPolarHBondContact O-CG 3.5Å; E19-R23 PolarHBondContact O-N 3.34Å; E19-R23 VanDerWaalsContact O-N 3.08Å; E19-R23 PolarHBondContact O-NE 2.95Å; R23-K27 WeakPolarHBondContact O-CG 3.45Å; R23-K27 PolarHBondContact O-N 3.2Å; R23-K27 VanDerWaalsContact O-N 3.1Å
24N97.9Very high97.5Very high83 Ų8376.2 Ų76.244%0.44437%0.366SS..Hα-helixtrans-69.4-38.8176.4-73.8-13.9000112.6R20 R21 Q22 K27 R28R20-N24 WeakPolarHBondContact O-CB 3.39Å; R20-N24 VanDerWaalsContact O-CG 3.25Å; R20-N24 PolarHBondContact O-N 2.86Å; R20-N24 PolarHBondContact O-ND2 3.03Å; R21-N24 PolarHBondContact O-N 2.94Å; Q22-N24 VanDerWaalsContact C-N 3.32Å; Q22-N24 PolarHBondContact O-N 3.17Å; N24-K27 PolarHBondContact O-N 3.25Å; N24-R28 PolarHBondContact O-N 3.48Å
25L97.8Very high97.5Very high12 Ų1273 Ų736%0.06335%0.351CS..Hα-helixtrans-66.7-42174.2-71167.7000111.6R21 Q22 K27 R28 K29 N62 I63 V66R21-L25 HydrophobicContact CG-CD1 4.08Å; R21-L25 WeakPolarHBondContact O-CG 3.4Å; R21-L25 PolarHBondContact O-N 3.46Å; Q22-L25 PolarHBondContact O-N 3.09Å; L25-K27 VanDerWaalsContact C-N 3.35Å; L25-K27 PolarHBondContact O-N 2.92Å; L25-R28 CarbonylContact O-C 3.5Å; L25-R28 WeakPolarHBondContact O-CA 3.47Å; L25-R28 WeakPolarHBondContact O-CB 3.43Å; L25-R28 PolarHBondContact O-N 3.14Å; L25-K29 PolarHBondContact O-N 2.98Å; L25-N62 HydrophobicContact CD1-CB 3.99Å; L25-N62 HydrophobicContact CD2-CB 4.12Å; L25-I63 HydrophobicContact CB-CD1 4.26Å; L25-I63 HydrophobicContact CB-CG1 3.57Å; L25-V66 HydrophobicContact CD1-CB 4.37Å; L25-V66 HydrophobicContact CD1-CG2 3.91Å
26G97.8Very high97.4Very high33 Ų3377.6 Ų77.634%0.3437%0.367SS..Hα-helixtrans-58.1-43.1173.600000112.9Q22 R28 K29 S30Q22-G26 PolarHBondContact O-N 3.23Å; G26-R28 PolarHBondContact O-N 3.03Å; G26-K29 PolarHBondContact O-N 2.96Å; G26-S30 PolarHBondContact O-N 3.39Å
27K97.9Very high97.4Very high147 Ų14779 Ų7964%0.63937%0.367SS*.Hα-helixtrans-60.6-41.1171.4-72.1172.4-178.7179.80112.3R23 N24 L25 K31R23-K27 WeakPolarHBondContact O-CG 3.45Å; R23-K27 PolarHBondContact O-N 3.2Å; R23-K27 VanDerWaalsContact O-N 3.1Å; N24-K27 PolarHBondContact O-N 3.25Å; L25-K27 VanDerWaalsContact C-N 3.35Å; L25-K27 PolarHBondContact O-N 2.92Å; K27-K31 PolarHBondContact O-N 3.36Å; K27-K31 VanDerWaalsContact O-N 3.14Å
28R97.1Very high97.3Very high128 Ų12878.7 Ų78.748%0.48336%0.361SS..Hα-helixtrans-63.8-45.7174.9-177.8173.3172167.9-7.5111.3N24 L25 G26 K31 L32 S55 V59N24-R28 PolarHBondContact O-N 3.48Å; L25-R28 CarbonylContact O-C 3.5Å; L25-R28 WeakPolarHBondContact O-CA 3.47Å; L25-R28 WeakPolarHBondContact O-CB 3.43Å; L25-R28 PolarHBondContact O-N 3.14Å; G26-R28 PolarHBondContact O-N 3.03Å; R28-K31 PolarHBondContact O-N 3.26Å; R28-L32 HydrophobicContact CG-CD1 4.33Å; R28-L32 HydrophobicContact CG-CG 4.48Å; R28-L32 WeakPolarHBondContact O-CG 3.36Å; R28-L32 PolarHBondContact O-N 2.76Å; R28-S55 PolarHBondContact NH2-OG 3.16Å; R28-V59 HydrophobicContact CB-CG1 4.33Å; R28-V59 HydrophobicContact CG-CG1 4.19Å; R28-V59 HydrophobicContact CG-CG2 4.07Å; R28-V59 VanDerWaalsContact NE-CG2 3.26Å
29K97.6Very high97Very high59 Ų5981.8 Ų81.826%0.25738%0.377SS..Hα-helixtrans-57.2-52176.5-171-156.2174.9-59.80110.9L25 G26 K31 L32 D33 Y56 V59 V60 I63L25-K29 PolarHBondContact O-N 2.98Å; G26-K29 PolarHBondContact O-N 2.96Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.44Å; K29-L32 CarbonylContact O-C 3.57Å; K29-L32 WeakPolarHBondContact O-CA 3.46Å; K29-L32 PolarHBondContact O-N 2.89Å; K29-D33 IonicContact NZ-OD1 2.59Å; K29-D33 PolarHBondContact NZ-OD1 3.16Å; K29-D33 IonicContact NZ-OD2 2.71Å; K29-D33 PolarHBondContact NZ-OD2 3.31Å; K29-D33 VanDerWaalsContact O-CG 3.28Å; K29-D33 PolarHBondContact O-N 2.83Å; K29-Y56 WeakPolarHBondContact CE-OH 3.19Å; K29-Y56 HydrophobicContact CG-CE2 3.85Å; K29-Y56 PolarHBondContact NZ-OH 3.26Å; K29-V59 HydrophobicContact CB-CG1 4.13Å; K29-V60 HydrophobicContact CD-CG2 4.49Å; K29-V60 HydrophobicContact CG-CG2 4.41Å; K29-I63 HydrophobicContact CB-CD1 3.69Å; K29-I63 HydrophobicContact CD-CD1 4.05Å; K29-I63 HydrophobicContact CG-CD1 4.24Å
30S97.5Very high96.8Very high80 Ų8087.4 Ų87.456%0.55940%0.403SS*.Hα-helixtrans-56.1-38178.3173.50000113.2G26 D33 G34G26-S30 PolarHBondContact O-N 3.39Å; S30-D33 WeakPolarHBondContact CA-OD2 3.47Å; S30-G34 PolarHBondContact O-N 3.42Å
31K96.7Very high96.7Very high130 Ų13086.3 Ų86.357%0.56540%0.403SS*.Hα-helixtrans-66.7-37.6173.3-175.7176.5177-178.20112.8K27 R28 K29 Y35K27-K31 PolarHBondContact O-N 3.36Å; K27-K31 VanDerWaalsContact O-N 3.14Å; R28-K31 PolarHBondContact O-N 3.26Å; K29-K31 VanDerWaalsContact C-N 3.27Å; K29-K31 PolarHBondContact O-N 3.44Å; K31-Y35 WeakPolarHBondContact CE-OH 3.36Å; K31-Y35 HydrophobicContact CG-CE2 4.17Å; K31-Y35 PolarHBondContact O-N 3.04Å
32L97.4Very high96.5Very high6 Ų682.9 Ų82.93%0.03141%0.41CS..Hα-helixtrans-75.9-33.3176.6-63.6-176.6000112.9R28 K29 G34 Y35 R36 A52 Y56 V59R28-L32 HydrophobicContact CG-CD1 4.33Å; R28-L32 HydrophobicContact CG-CG 4.48Å; R28-L32 WeakPolarHBondContact O-CG 3.36Å; R28-L32 PolarHBondContact O-N 2.76Å; K29-L32 CarbonylContact O-C 3.57Å; K29-L32 WeakPolarHBondContact O-CA 3.46Å; K29-L32 PolarHBondContact O-N 2.89Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 3.24Å; L32-Y35 HydrophobicContact CD2-CD2 4.03Å; L32-Y35 PolarHBondContact O-N 3.22Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; L32-R36 PolarHBondContact O-N 3.46Å; L32-A52 WeakPolarHBondContact CD1-O 3.3Å; L32-A52 HydrophobicContact CD2-CB 3.71Å; L32-A52 VanDerWaalsContact CD2-O 3.32Å; L32-A52 WeakPolarHBondContact CD2-O 3.46Å; L32-Y56 HydrophobicContact CB-CD2 3.78Å; L32-Y56 HydrophobicContact CD1-CD2 4.33Å; L32-V59 HydrophobicContact CD1-CB 4.42Å; L32-V59 HydrophobicContact CD1-CG2 3.94Å
33D97.2Very high96.3Very high53 Ų5384.3 Ų84.328%0.28342%0.416SS..Hα-helixtrans-55.4-49171.6-68.1-42.7000109.7K29 S30 Y35 R36 E37 Y56K29-D33 IonicContact NZ-OD1 2.59Å; K29-D33 PolarHBondContact NZ-OD1 3.16Å; K29-D33 IonicContact NZ-OD2 2.71Å; K29-D33 PolarHBondContact NZ-OD2 3.31Å; K29-D33 VanDerWaalsContact O-CG 3.28Å; K29-D33 PolarHBondContact O-N 2.83Å; S30-D33 WeakPolarHBondContact CA-OD2 3.47Å; D33-Y35 VanDerWaalsContact C-N 3.3Å; D33-Y35 PolarHBondContact O-N 3.06Å; D33-R36 PolarHBondContact O-N 3.02Å; D33-R36 VanDerWaalsContact O-N 3.16Å; D33-E37 WeakPolarHBondContact O-CB 3.39Å; D33-E37 PolarHBondContact O-N 3.38Å; D33-Y56 VanDerWaalsContact OD1-CE2 3.22Å; D33-Y56 WeakPolarHBondContact OD1-CE2 3.46Å; D33-Y56 PolarHBondContact OD1-OH 2.87Å
34G96.8Very high96Very high26 Ų2684.5 Ų84.527%0.26843%0.433SS..Hα-helixtrans-64.4-27175.500000114.5S30 L32 K38S30-G34 PolarHBondContact O-N 3.42Å; L32-G34 VanDerWaalsContact C-N 3.31Å; L32-G34 PolarHBondContact O-N 3.24Å; G34-K38 WeakPolarHBondContact O-CB 3.22Å; G34-K38 VanDerWaalsContact O-CG 3.22Å; G34-K38 WeakPolarHBondContact O-CG 3.44Å; G34-K38 PolarHBondContact O-N 3.1Å
35Y96.9Very high95.8Very high43 Ų4380.9 Ų80.917%0.16941%0.414CS..Hα-helixtrans-76.8-38.5170.6-66.5-24.1000112.1K31 L32 D33 K38 L39 L45 Q49 V53K31-Y35 WeakPolarHBondContact CE-OH 3.36Å; K31-Y35 HydrophobicContact CG-CE2 4.17Å; K31-Y35 PolarHBondContact O-N 3.04Å; L32-Y35 HydrophobicContact CD2-CD2 4.03Å; L32-Y35 PolarHBondContact O-N 3.22Å; L32-Y35 VanDerWaalsContact O-N 3.09Å; D33-Y35 VanDerWaalsContact C-N 3.3Å; D33-Y35 PolarHBondContact O-N 3.06Å; Y35-K38 PolarHBondContact O-N 3.31Å; Y35-L39 WeakPolarHBondContact O-CB 3.44Å; Y35-L39 PolarHBondContact O-N 2.98Å; Y35-L45 HydrophobicContact CD1-CD2 4.34Å; Y35-Q49 HydrophobicContact CD2-CB 4.11Å; Y35-Q49 HydrophobicContact CD2-CG 4.36Å; Y35-Q49 HydrophobicContact CE1-CG 4.16Å; Y35-Q49 HydrophobicContact CE2-CB 4.14Å; Y35-Q49 HydrophobicContact CE2-CG 3.9Å; Y35-Q49 HydrophobicContact CG-CB 4.38Å; Y35-V53 VanDerWaalsContact CB-CG2 3.43Å; Y35-V53 HydrophobicContact CG-CG2 4.49Å
36R96Very high95.6Very high112 Ų11286.9 Ų86.942%0.42344%0.439SS..Hα-helixtrans-61.9-43.2173.2-74.2-173.564166.71.9111.7L32 D33 K38 L39 Q40 V53L32-R36 PolarHBondContact O-N 3.46Å; D33-R36 PolarHBondContact O-N 3.02Å; D33-R36 VanDerWaalsContact O-N 3.16Å; R36-K38 PolarHBondContact O-N 3.46Å; R36-L39 PolarHBondContact O-N 2.68Å; R36-Q40 WeakPolarHBondContact O-CB 3.44Å; R36-Q40 PolarHBondContact O-N 3.05Å; R36-V53 HydrophobicContact CG-CG1 3.73Å; R36-V53 HydrophobicContact CG-CG2 4.19Å
37E96.1Very high95.5Very high98 Ų9890.7 Ų90.746%0.45845%0.452SS..Hα-helixtrans-60.5-44.2176.1-167.6-162149.700111.7D33 Q40 K41D33-E37 WeakPolarHBondContact O-CB 3.39Å; D33-E37 PolarHBondContact O-N 3.38Å; E37-Q40 PolarHBondContact O-N 3.41Å; E37-K41 HydrophobicContact CG-CD 4.42Å; E37-K41 WeakPolarHBondContact O-CB 3.36Å; E37-K41 WeakPolarHBondContact O-CG 3.47Å; E37-K41 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact OE1-CE 3.34Å; E37-K41 IonicContact OE1-NZ 2.69Å; E37-K41 PolarHBondContact OE1-NZ 2.96Å
38K95.2Very high95.3Very high78 Ų7891.1 Ų91.134%0.33946%0.456SS..Hα-helixtrans-62.6-44.4175.1-77.1-177.3166.6-66.20112.8G34 Y35 R36 Q40 K41 G42 E43 L45G34-K38 WeakPolarHBondContact O-CB 3.22Å; G34-K38 VanDerWaalsContact O-CG 3.22Å; G34-K38 WeakPolarHBondContact O-CG 3.44Å; G34-K38 PolarHBondContact O-N 3.1Å; Y35-K38 PolarHBondContact O-N 3.31Å; R36-K38 PolarHBondContact O-N 3.46Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-Q40 PolarHBondContact O-N 2.91Å; K38-K41 CarbonylContact O-C 3.57Å; K38-K41 WeakPolarHBondContact O-CB 3.21Å; K38-K41 PolarHBondContact O-N 2.72Å; K38-G42 PolarHBondContact O-N 3.22Å; K38-E43 HydrophobicContact CB-CB 4.14Å; K38-E43 HydrophobicContact CB-CG 4.44Å; K38-E43 IonicContact NZ-OE1 3.42Å; K38-E43 PolarHBondContact NZ-OE1 2.88Å; K38-E43 IonicContact NZ-OE2 3.64Å; K38-E43 PolarHBondContact NZ-OE2 3.11Å; K38-E43 WeakPolarHBondContact O-CB 3.46Å; K38-E43 PolarHBondContact O-N 3.14Å; K38-L45 HydrophobicContact CB-CD2 3.94Å; K38-L45 HydrophobicContact CD-CD2 4.36Å
39L92.6Very high95.3Very high87 Ų8787.1 Ų87.146%0.45544%0.443SS..Hα-helixtrans-63.2-40.6176.2-172.863.3000111.5Y35 R36 K41 G42 L45 V53Y35-L39 WeakPolarHBondContact O-CB 3.44Å; Y35-L39 PolarHBondContact O-N 2.98Å; R36-L39 PolarHBondContact O-N 2.68Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 2.79Å; L39-G42 PolarHBondContact O-N 3.32Å; L39-L45 HydrophobicContact CB-CD1 3.98Å; L39-L45 HydrophobicContact CD1-CD1 4.37Å; L39-V53 HydrophobicContact CD2-CG1 4.47Å
40Q93.7Very high95.1Very high173 Ų17388.1 Ų88.181%0.80845%0.447SS*.Hα-helixtrans-66.2-29.9175.1-173.4176.84.500112.8R36 E37 K38 G42R36-Q40 WeakPolarHBondContact O-CB 3.44Å; R36-Q40 PolarHBondContact O-N 3.05Å; E37-Q40 PolarHBondContact O-N 3.41Å; K38-Q40 VanDerWaalsContact C-N 3.34Å; K38-Q40 PolarHBondContact O-N 2.91Å; Q40-G42 PolarHBondContact O-N 2.87Å
41K95.9Very high94.9Very high136 Ų13691.5 Ų91.559%0.59145%0.452SS*.THydrogen-bonded Turntrans-77.1-3.7170.7-75169.1169.8176.10114E37 K38 L39 E43E37-K41 HydrophobicContact CG-CD 4.42Å; E37-K41 WeakPolarHBondContact O-CB 3.36Å; E37-K41 WeakPolarHBondContact O-CG 3.47Å; E37-K41 PolarHBondContact O-N 3.45Å; E37-K41 WeakPolarHBondContact OE1-CE 3.34Å; E37-K41 IonicContact OE1-NZ 2.69Å; E37-K41 PolarHBondContact OE1-NZ 2.96Å; K38-K41 CarbonylContact O-C 3.57Å; K38-K41 WeakPolarHBondContact O-CB 3.21Å; K38-K41 PolarHBondContact O-N 2.72Å; L39-K41 VanDerWaalsContact C-N 3.29Å; L39-K41 PolarHBondContact O-N 2.79Å; K41-E43 VanDerWaalsContact C-N 3.33Å; K41-E43 HydrophobicContact CB-CG 4.47Å
42G93.1Very high94.8Very high63 Ų6386.6 Ų86.665%0.64944%0.436SS*.THydrogen-bonded Turntrans75.714.8-176.200000114.6K38 L39 Q40K38-G42 PolarHBondContact O-N 3.22Å; L39-G42 PolarHBondContact O-N 3.32Å; Q40-G42 PolarHBondContact O-N 2.87Å
43E93.8Very high94.7Very high83 Ų8387.4 Ų87.439%0.38844%0.44SS..  trans-68.7138.6174.2-66.5-171-144.900111.4K38 K41 L45K38-E43 HydrophobicContact CB-CB 4.14Å; K38-E43 HydrophobicContact CB-CG 4.44Å; K38-E43 IonicContact NZ-OE1 3.42Å; K38-E43 PolarHBondContact NZ-OE1 2.88Å; K38-E43 IonicContact NZ-OE2 3.64Å; K38-E43 PolarHBondContact NZ-OE2 3.11Å; K38-E43 WeakPolarHBondContact O-CB 3.46Å; K38-E43 PolarHBondContact O-N 3.14Å; K41-E43 VanDerWaalsContact C-N 3.33Å; K41-E43 HydrophobicContact CB-CG 4.47Å; E43-L45 PolarHBondContact O-N 3.01Å
44V91.3Very high94.6Very high144 Ų14491.9 Ų91.987%0.87346%0.46SS*.  trans-73.796.9177.3-176.30000110.4
45L93.1Very high94.4Very high8 Ų892.3 Ų92.34%0.04246%0.459CS..  trans-69.4149.2169.1-67.5-173.5000112.1Y35 K38 L39 E43 Q49 K50 V53Y35-L45 HydrophobicContact CD1-CD2 4.34Å; K38-L45 HydrophobicContact CB-CD2 3.94Å; K38-L45 HydrophobicContact CD-CD2 4.36Å; L39-L45 HydrophobicContact CB-CD1 3.98Å; L39-L45 HydrophobicContact CD1-CD1 4.37Å; E43-L45 PolarHBondContact O-N 3.01Å; L45-Q49 HydrophobicContact CB-CB 4.1Å; L45-Q49 HydrophobicContact CD1-CB 4.31Å; L45-Q49 HydrophobicContact CD2-CB 4.37Å; L45-K50 HydrophobicContact CB-CG 4.03Å; L45-K50 WeakPolarHBondContact O-CE 3.38Å; L45-V53 HydrophobicContact CD1-CG2 4.5Å
46K94.8Very high94.4Very high138 Ų13891.5 Ų91.560%0.646%0.456SS*.  trans-65.8154.3165-62.2-172.6175.7-169.40110.5E48 Q49 K50K46-E48 VanDerWaalsContact C-N 3.3Å; K46-E48 PolarHBondContact O-N 3.09Å; K46-Q49 HydrophobicContact CB-CG 4.13Å; K46-Q49 WeakPolarHBondContact O-CA 3.48Å; K46-Q49 VanDerWaalsContact O-CB 3.31Å; K46-Q49 WeakPolarHBondContact O-CB 3.27Å; K46-Q49 PolarHBondContact O-N 3.1Å; K46-K50 PolarHBondContact O-N 3.2Å
47D94.4Very high94.4Very high113 Ų11390.8 Ų90.860%0.60446%0.46SS*.Hα-helixtrans-65.2-32.9-176.9-54.8-53.4000113.1Q49 K50 K51D47-Q49 PolarHBondContact O-N 2.89Å; D47-K50 PolarHBondContact O-N 3.31Å; D47-K50 IonicContact OD1-NZ 3.25Å; D47-K50 PolarHBondContact OD1-NZ 3.09Å; D47-K51 WeakPolarHBondContact O-CB 3.47Å; D47-K51 PolarHBondContact O-N 3.01Å
48E94.8Very high94.5Very high155 Ų15587.5 Ų87.572%0.72445%0.453SS*.Hα-helixtrans-55.9-36.7167.5-62.2179.215400112.8K46 A52K46-E48 VanDerWaalsContact C-N 3.3Å; K46-E48 PolarHBondContact O-N 3.09Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.97Å
49Q95.8Very high94.6Very high44 Ų4484 Ų8421%0.20644%0.438CS..Hα-helixtrans-78.9-36.8-178-61.9170-28.900111Y35 L45 K46 D47 A52 V53Y35-Q49 HydrophobicContact CD2-CB 4.11Å; Y35-Q49 HydrophobicContact CD2-CG 4.36Å; Y35-Q49 HydrophobicContact CE1-CG 4.16Å; Y35-Q49 HydrophobicContact CE2-CB 4.14Å; Y35-Q49 HydrophobicContact CE2-CG 3.9Å; Y35-Q49 HydrophobicContact CG-CB 4.38Å; L45-Q49 HydrophobicContact CB-CB 4.1Å; L45-Q49 HydrophobicContact CD1-CB 4.31Å; L45-Q49 HydrophobicContact CD2-CB 4.37Å; K46-Q49 HydrophobicContact CB-CG 4.13Å; K46-Q49 WeakPolarHBondContact O-CA 3.48Å; K46-Q49 VanDerWaalsContact O-CB 3.31Å; K46-Q49 WeakPolarHBondContact O-CB 3.27Å; K46-Q49 PolarHBondContact O-N 3.1Å; D47-Q49 PolarHBondContact O-N 2.89Å; Q49-A52 PolarHBondContact O-N 3.07Å; Q49-V53 WeakPolarHBondContact O-CG2 3.33Å; Q49-V53 PolarHBondContact O-N 2.91Å
50K94Very high94.8Very high80 Ų8082.5 Ų82.535%0.34843%0.432SS..Hα-helixtrans-59.9-52.2170.1-60.5173.2-167.2157.30110.3L45 K46 D47 A52 V53 E54L45-K50 HydrophobicContact CB-CG 4.03Å; L45-K50 WeakPolarHBondContact O-CE 3.38Å; K46-K50 PolarHBondContact O-N 3.2Å; D47-K50 PolarHBondContact O-N 3.31Å; D47-K50 IonicContact OD1-NZ 3.25Å; D47-K50 PolarHBondContact OD1-NZ 3.09Å; K50-A52 VanDerWaalsContact C-N 3.26Å; K50-A52 PolarHBondContact O-N 3.35Å; K50-V53 CarbonylContact O-C 3.6Å; K50-V53 WeakPolarHBondContact O-CA 3.45Å; K50-V53 WeakPolarHBondContact O-CB 3.41Å; K50-V53 PolarHBondContact O-N 3.08Å; K50-E54 PolarHBondContact O-N 3.34Å
51K94.1Very high95Very high151 Ų15180.6 Ų80.666%0.65742%0.423SS*.Hα-helixtrans-61.3-31.1175.7-169.1171.5-175.7174.30113.4D47D47-K51 WeakPolarHBondContact O-CB 3.47Å; D47-K51 PolarHBondContact O-N 3.01Å
52A94.6Very high95.1Very high28 Ų2877.3 Ų77.323%0.23141%0.412CS..Hα-helixtrans-70.8-37.317200000112.2L32 E48 Q49 K50 S55L32-A52 WeakPolarHBondContact CD1-O 3.3Å; L32-A52 HydrophobicContact CD2-CB 3.71Å; L32-A52 VanDerWaalsContact CD2-O 3.32Å; L32-A52 WeakPolarHBondContact CD2-O 3.46Å; E48-A52 WeakPolarHBondContact O-CB 3.41Å; E48-A52 PolarHBondContact O-N 2.97Å; Q49-A52 PolarHBondContact O-N 3.07Å; K50-A52 VanDerWaalsContact C-N 3.26Å; K50-A52 PolarHBondContact O-N 3.35Å; A52-S55 PolarHBondContact O-N 2.8Å; A52-S55 PolarHBondContact O-OG 3.37Å
53V95Very high95.3Very high22 Ų2275.4 Ų75.413%0.13339%0.387CS..Hα-helixtrans-67-36.8173.9166.20000112Y35 R36 L39 L45 Q49 K50 S55 Y56Y35-V53 VanDerWaalsContact CB-CG2 3.43Å; Y35-V53 HydrophobicContact CG-CG2 4.49Å; R36-V53 HydrophobicContact CG-CG1 3.73Å; R36-V53 HydrophobicContact CG-CG2 4.19Å; L39-V53 HydrophobicContact CD2-CG1 4.47Å; L45-V53 HydrophobicContact CD1-CG2 4.5Å; Q49-V53 WeakPolarHBondContact O-CG2 3.33Å; Q49-V53 PolarHBondContact O-N 2.91Å; K50-V53 CarbonylContact O-C 3.6Å; K50-V53 WeakPolarHBondContact O-CA 3.45Å; K50-V53 WeakPolarHBondContact O-CB 3.41Å; K50-V53 PolarHBondContact O-N 3.08Å; V53-S55 PolarHBondContact O-N 3.43Å; V53-Y56 WeakPolarHBondContact O-CB 3.29Å; V53-Y56 PolarHBondContact O-N 2.99Å
54E94.2Very high95.5Very high148 Ų14875 Ų7569%0.69239%0.393SS*.Hα-helixtrans-56.1-30.2170.9-68.8157.6-156.400112.2K50 Y56K50-E54 PolarHBondContact O-N 3.34Å; E54-Y56 VanDerWaalsContact C-N 3.29Å; E54-Y56 PolarHBondContact O-N 2.88Å
55S93.5Very high95.8Very high35 Ų3574 Ų7425%0.24538%0.377CS..THydrogen-bonded Turntrans-80.81.9175.7800000115.1R28 A52 V53 G58 V59R28-S55 PolarHBondContact NH2-OG 3.16Å; A52-S55 PolarHBondContact O-N 2.8Å; A52-S55 PolarHBondContact O-OG 3.37Å; V53-S55 PolarHBondContact O-N 3.43Å; S55-G58 PolarHBondContact O-N 3.39Å; S55-V59 WeakPolarHBondContact O-CG2 3.42Å; S55-V59 PolarHBondContact O-N 3.34Å; S55-V59 VanDerWaalsContact O-N 3.16Å
56Y96.8Very high96Very high26 Ų2674.1 Ų74.110%0.10238%0.378CS..Hα-helixtrans-59.5-51.5-170.4174.4-91.8000113.5K29 L32 D33 V53 E54 G58 V59 V60K29-Y56 WeakPolarHBondContact CE-OH 3.19Å; K29-Y56 HydrophobicContact CG-CE2 3.85Å; K29-Y56 PolarHBondContact NZ-OH 3.26Å; L32-Y56 HydrophobicContact CB-CD2 3.78Å; L32-Y56 HydrophobicContact CD1-CD2 4.33Å; D33-Y56 VanDerWaalsContact OD1-CE2 3.22Å; D33-Y56 WeakPolarHBondContact OD1-CE2 3.46Å; D33-Y56 PolarHBondContact OD1-OH 2.87Å; V53-Y56 WeakPolarHBondContact O-CB 3.29Å; V53-Y56 PolarHBondContact O-N 2.99Å; E54-Y56 VanDerWaalsContact C-N 3.29Å; E54-Y56 PolarHBondContact O-N 2.88Å; Y56-G58 VanDerWaalsContact C-N 3.29Å; Y56-G58 PolarHBondContact O-N 3.08Å; Y56-V59 WeakPolarHBondContact O-CA 3.33Å; Y56-V59 WeakPolarHBondContact O-CB 3.47Å; Y56-V59 PolarHBondContact O-N 2.97Å; Y56-V60 HydrophobicContact CD1-CG2 4.16Å; Y56-V60 HydrophobicContact CE1-CG2 3.52Å; Y56-V60 HydrophobicContact CE2-CG2 4.14Å; Y56-V60 PolarHBondContact O-N 3.5Å
57D96.9Very high96.1Very high97 Ų9772.1 Ų72.152%0.51937%0.371SS..Hα-helixtrans-67.3-34-174.7-61-54000111.5V59 V60 Q61D57-V59 VanDerWaalsContact C-N 3.3Å; D57-V59 PolarHBondContact O-N 3.4Å; D57-V60 PolarHBondContact O-N 2.95Å; D57-V60 VanDerWaalsContact O-N 3.14Å; D57-Q61 WeakPolarHBondContact O-CG 3.39Å; D57-Q61 PolarHBondContact O-N 3.48Å
58G96.5Very high96.3Very high29 Ų2971.8 Ų71.830%0.29937%0.366SS..Hα-helixtrans-62-33.2169.800000113.3S55 Y56 N62S55-G58 PolarHBondContact O-N 3.39Å; Y56-G58 VanDerWaalsContact C-N 3.29Å; Y56-G58 PolarHBondContact O-N 3.08Å; G58-N62 WeakPolarHBondContact O-CB 3.49Å; G58-N62 PolarHBondContact O-N 2.67Å; G58-N62 PolarHBondContact O-ND2 3.28Å
59V97.5Very high96.5Very high5 Ų566.3 Ų66.33%0.0334%0.341CS..Hα-helixtrans-69.8-39.6172175.80000111.2R28 K29 L32 S55 Y56 D57 N62 I63R28-V59 HydrophobicContact CB-CG1 4.33Å; R28-V59 HydrophobicContact CG-CG1 4.19Å; R28-V59 HydrophobicContact CG-CG2 4.07Å; R28-V59 VanDerWaalsContact NE-CG2 3.26Å; K29-V59 HydrophobicContact CB-CG1 4.13Å; L32-V59 HydrophobicContact CD1-CB 4.42Å; L32-V59 HydrophobicContact CD1-CG2 3.94Å; S55-V59 WeakPolarHBondContact O-CG2 3.42Å; S55-V59 PolarHBondContact O-N 3.34Å; S55-V59 VanDerWaalsContact O-N 3.16Å; Y56-V59 WeakPolarHBondContact O-CA 3.33Å; Y56-V59 WeakPolarHBondContact O-CB 3.47Å; Y56-V59 PolarHBondContact O-N 2.97Å; D57-V59 VanDerWaalsContact C-N 3.3Å; D57-V59 PolarHBondContact O-N 3.4Å; V59-N62 PolarHBondContact O-N 3.43Å; V59-I63 HydrophobicContact CG1-CD1 4.17Å; V59-I63 WeakPolarHBondContact O-CG1 3.44Å; V59-I63 PolarHBondContact O-N 3.33Å
60V97.4Very high96.6Very high54 Ų5464.7 Ų64.733%0.32733%0.334SS..Hα-helixtrans-65.3-45.6176.9176.80000111.3K29 Y56 D57 N62 I63 S64K29-V60 HydrophobicContact CD-CG2 4.49Å; K29-V60 HydrophobicContact CG-CG2 4.41Å; Y56-V60 HydrophobicContact CD1-CG2 4.16Å; Y56-V60 HydrophobicContact CE1-CG2 3.52Å; Y56-V60 HydrophobicContact CE2-CG2 4.14Å; Y56-V60 PolarHBondContact O-N 3.5Å; D57-V60 PolarHBondContact O-N 2.95Å; D57-V60 VanDerWaalsContact O-N 3.14Å; V60-N62 PolarHBondContact O-N 2.98Å; V60-I63 WeakPolarHBondContact O-CB 3.26Å; V60-I63 PolarHBondContact O-N 3.34Å; V60-I63 VanDerWaalsContact O-N 3.09Å; V60-S64 PolarHBondContact O-N 2.85Å; V60-S64 VanDerWaalsContact O-N 3.1Å
61Q97.5Very high96.8Very high134 Ų13463.7 Ų63.763%0.62634%0.34SS*.Hα-helixtrans-58-46.1173.8-71169.4-4.200111.6D57 I63 S64 F65D57-Q61 WeakPolarHBondContact O-CG 3.39Å; D57-Q61 PolarHBondContact O-N 3.48Å; Q61-I63 VanDerWaalsContact C-N 3.27Å; Q61-I63 PolarHBondContact O-N 2.9Å; Q61-S64 PolarHBondContact O-N 3.41Å; Q61-F65 WeakPolarHBondContact O-CB 3.31Å; Q61-F65 PolarHBondContact O-N 2.85Å
62N97.6Very high96.9Very high66 Ų6661.5 Ų61.535%0.35333%0.332SS..Hα-helixtrans-61.1-31.8175.3-90.2-93.9000113.1L25 G58 V59 V60 V66L25-N62 HydrophobicContact CD1-CB 3.99Å; L25-N62 HydrophobicContact CD2-CB 4.12Å; G58-N62 WeakPolarHBondContact O-CB 3.49Å; G58-N62 PolarHBondContact O-N 2.67Å; G58-N62 PolarHBondContact O-ND2 3.28Å; V59-N62 PolarHBondContact O-N 3.43Å; V60-N62 PolarHBondContact O-N 2.98Å; N62-V66 WeakPolarHBondContact O-CB 3.37Å; N62-V66 VanDerWaalsContact O-CG2 3.27Å; N62-V66 WeakPolarHBondContact O-CG2 3.42Å; N62-V66 PolarHBondContact O-N 3.02Å; N62-V66 VanDerWaalsContact O-N 3.09Å
63I97.5Very high97.1Very high24 Ų2460.5 Ų60.512%0.12332%0.324CS..Hα-helixtrans-68-47.5174.9-72.1165.8000110.4L25 K29 V59 V60 Q61 V66 Q67L25-I63 HydrophobicContact CB-CD1 4.26Å; L25-I63 HydrophobicContact CB-CG1 3.57Å; K29-I63 HydrophobicContact CB-CD1 3.69Å; K29-I63 HydrophobicContact CD-CD1 4.05Å; K29-I63 HydrophobicContact CG-CD1 4.24Å; V59-I63 HydrophobicContact CG1-CD1 4.17Å; V59-I63 WeakPolarHBondContact O-CG1 3.44Å; V59-I63 PolarHBondContact O-N 3.33Å; V60-I63 WeakPolarHBondContact O-CB 3.26Å; V60-I63 PolarHBondContact O-N 3.34Å; V60-I63 VanDerWaalsContact O-N 3.09Å; Q61-I63 VanDerWaalsContact C-N 3.27Å; Q61-I63 PolarHBondContact O-N 2.9Å; I63-V66 PolarHBondContact O-N 3.36Å; I63-Q67 HydrophobicContact CG2-CG 4.44Å; I63-Q67 WeakPolarHBondContact O-CB 3.18Å; I63-Q67 VanDerWaalsContact O-CG 3.31Å; I63-Q67 WeakPolarHBondContact O-CG 3.41Å; I63-Q67 PolarHBondContact O-N 3.42Å; I63-Q67 PolarHBondContact O-OE1 3.24Å
64S97.4Very high97.2Very high73 Ų7364.1 Ų64.151%0.5134%0.338SS..Hα-helixtrans-61.1-45.6178.9-163.30000111.9V60 Q61 Q67 E68V60-S64 PolarHBondContact O-N 2.85Å; V60-S64 VanDerWaalsContact O-N 3.1Å; Q61-S64 PolarHBondContact O-N 3.41Å; S64-Q67 WeakPolarHBondContact O-CB 3.21Å; S64-Q67 PolarHBondContact O-N 2.92Å; S64-E68 PolarHBondContact O-N 3.48Å
65F97.6Very high97.4Very high125 Ų12561.8 Ų61.855%0.54833%0.33SS..Hα-helixtrans-62.7-44.3177.8-179.3-119000112.5Q61 Q67 E68 I69Q61-F65 WeakPolarHBondContact O-CB 3.31Å; Q61-F65 PolarHBondContact O-N 2.85Å; F65-Q67 VanDerWaalsContact C-N 3.34Å; F65-Q67 PolarHBondContact O-N 3.39Å; F65-E68 PolarHBondContact O-N 2.68Å; F65-I69 HydrophobicContact CD1-CD1 4.07Å; F65-I69 HydrophobicContact CD2-CD1 4.28Å; F65-I69 HydrophobicContact CE1-CD1 3.64Å; F65-I69 HydrophobicContact CE2-CD1 3.88Å; F65-I69 HydrophobicContact CE2-CG1 4.45Å; F65-I69 HydrophobicContact CG-CD1 4.38Å; F65-I69 HydrophobicContact CZ-CD1 3.55Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 2.82Å; F65-I69 VanDerWaalsContact O-N 3.08Å
66V98Very high97.6Very high10 Ų1064.3 Ų64.36%0.06134%0.34CS..Hα-helixtrans-69.5-32.4176.2174.60000111.7R21 Q22 L25 N62 I63 V70R21-V66 HydrophobicContact CG-CG1 4.43Å; R21-V66 HydrophobicContact CG-CG2 4.15Å; Q22-V66 HydrophobicContact CB-CG1 3.79Å; Q22-V66 HydrophobicContact CG-CG1 4.34Å; L25-V66 HydrophobicContact CD1-CB 4.37Å; L25-V66 HydrophobicContact CD1-CG2 3.91Å; N62-V66 WeakPolarHBondContact O-CB 3.37Å; N62-V66 VanDerWaalsContact O-CG2 3.27Å; N62-V66 WeakPolarHBondContact O-CG2 3.42Å; N62-V66 PolarHBondContact O-N 3.02Å; N62-V66 VanDerWaalsContact O-N 3.09Å; I63-V66 PolarHBondContact O-N 3.36Å; V66-V70 HydrophobicContact CG1-CG2 4.28Å; V66-V70 WeakPolarHBondContact O-CB 3.44Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.42Å
67Q97.7Very high97.6Very high95 Ų9564 Ų6444%0.44434%0.34SS..Hα-helixtrans-62-43.8172-81.7172.3-55.900112.1Q22 I63 S64 F65 V70 A71Q22-Q67 HydrophobicContact CG-CG 4.36Å; I63-Q67 HydrophobicContact CG2-CG 4.44Å; I63-Q67 WeakPolarHBondContact O-CB 3.18Å; I63-Q67 VanDerWaalsContact O-CG 3.31Å; I63-Q67 WeakPolarHBondContact O-CG 3.41Å; I63-Q67 PolarHBondContact O-N 3.42Å; I63-Q67 PolarHBondContact O-OE1 3.24Å; S64-Q67 WeakPolarHBondContact O-CB 3.21Å; S64-Q67 PolarHBondContact O-N 2.92Å; F65-Q67 VanDerWaalsContact C-N 3.34Å; F65-Q67 PolarHBondContact O-N 3.39Å; Q67-V70 PolarHBondContact O-N 3.25Å; Q67-A71 PolarHBondContact O-N 3.16Å
68E98Very high97.6Very high107 Ų10762.7 Ų62.750%0.534%0.339SS..Hα-helixtrans-62.6-49.6177.6-169.3-173.5156.500111.5S64 F65 V70 A71 Q72S64-E68 PolarHBondContact O-N 3.48Å; F65-E68 PolarHBondContact O-N 2.68Å; E68-V70 VanDerWaalsContact C-N 3.32Å; E68-V70 PolarHBondContact O-N 2.76Å; E68-A71 WeakPolarHBondContact O-CB 3.44Å; E68-A71 PolarHBondContact O-N 3.41Å; E68-A71 VanDerWaalsContact O-N 3.1Å; E68-Q72 WeakPolarHBondContact O-CG 3.5Å; E68-Q72 PolarHBondContact O-N 2.84Å; E68-Q72 PolarHBondContact OE1-NE2 3.1Å
69I98Very high97.6Very high40 Ų4065.2 Ų65.221%0.20535%0.346CS..Hα-helixtrans-63.7-38.1177.8-59.7170.5000111L18 F65 A71 Q72 T73L18-I69 HydrophobicContact CD1-CB 4.49Å; L18-I69 HydrophobicContact CD1-CG2 3.59Å; L18-I69 HydrophobicContact CD2-CG2 4.3Å; F65-I69 HydrophobicContact CD1-CD1 4.07Å; F65-I69 HydrophobicContact CD2-CD1 4.28Å; F65-I69 HydrophobicContact CE1-CD1 3.64Å; F65-I69 HydrophobicContact CE2-CD1 3.88Å; F65-I69 HydrophobicContact CE2-CG1 4.45Å; F65-I69 HydrophobicContact CG-CD1 4.38Å; F65-I69 HydrophobicContact CZ-CD1 3.55Å; F65-I69 WeakPolarHBondContact O-CG1 3.31Å; F65-I69 PolarHBondContact O-N 2.82Å; F65-I69 VanDerWaalsContact O-N 3.08Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 PolarHBondContact O-N 3.21Å; I69-Q72 PolarHBondContact O-N 2.98Å; I69-T73 WeakPolarHBondContact O-CB 3.43Å; I69-T73 PolarHBondContact O-N 3.03Å; I69-T73 PolarHBondContact O-OG1 2.7Å
70V98.2Very high97.5Very high9 Ų967.2 Ų67.26%0.05536%0.355CS..Hα-helixtrans-61.3-37.8174.3164.50000111.6L15 L18 E19 V66 Q67 E68 K74L15-V70 HydrophobicContact CD1-CG1 4.15Å; L18-V70 HydrophobicContact CB-CG2 3.6Å; L18-V70 HydrophobicContact CD1-CG2 4.46Å; E19-V70 HydrophobicContact CG-CG1 4.25Å; E19-V70 HydrophobicContact CG-CG2 4.4Å; V66-V70 HydrophobicContact CG1-CG2 4.28Å; V66-V70 WeakPolarHBondContact O-CB 3.44Å; V66-V70 WeakPolarHBondContact O-CG2 3.46Å; V66-V70 PolarHBondContact O-N 3.42Å; Q67-V70 PolarHBondContact O-N 3.25Å; E68-V70 VanDerWaalsContact C-N 3.32Å; E68-V70 PolarHBondContact O-N 2.76Å; V70-K74 HydrophobicContact CG1-CD 4.35Å; V70-K74 VanDerWaalsContact O-CG 3.31Å; V70-K74 WeakPolarHBondContact O-CG 3.37Å; V70-K74 PolarHBondContact O-N 2.97Å
71A98.1Very high97.4Very high59 Ų5968.4 Ų68.449%0.48836%0.357SS..Hα-helixtrans-69-50.2175.500000111.7Q67 E68 I69 T73 K74 D75Q67-A71 PolarHBondContact O-N 3.16Å; E68-A71 WeakPolarHBondContact O-CB 3.44Å; E68-A71 PolarHBondContact O-N 3.41Å; E68-A71 VanDerWaalsContact O-N 3.1Å; I69-A71 VanDerWaalsContact C-N 3.3Å; I69-A71 PolarHBondContact O-N 3.21Å; A71-T73 VanDerWaalsContact C-N 3.3Å; A71-T73 PolarHBondContact O-N 3.36Å; A71-K74 PolarHBondContact O-N 3.03Å; A71-K74 VanDerWaalsContact O-N 3.14Å; A71-D75 PolarHBondContact O-N 2.93Å; A71-D75 VanDerWaalsContact O-N 3.1Å
72Q97.9Very high97.3Very high105 Ų10564.6 Ų64.649%0.49135%0.345SS..Hα-helixtrans-59.1-39.7177.4-69.7168.3-3.100112.1E68 I69 K74 D75 L76E68-Q72 WeakPolarHBondContact O-CG 3.5Å; E68-Q72 PolarHBondContact O-N 2.84Å; E68-Q72 PolarHBondContact OE1-NE2 3.1Å; I69-Q72 PolarHBondContact O-N 2.98Å; Q72-K74 VanDerWaalsContact C-N 3.34Å; Q72-K74 PolarHBondContact O-N 3.39Å; Q72-D75 PolarHBondContact O-N 3.2Å; Q72-L76 WeakPolarHBondContact O-CB 3.35Å; Q72-L76 PolarHBondContact O-N 3.14Å
73T98Very high97.2Very high8 Ų865.1 Ų65.15%0.04935%0.35CS..Hα-helixtrans-69.1-31.5178.2-54.80000112.1V11 F14 L15 L18 I69 A71 L77V11-T73 HydrophobicContact CG1-CG2 3.89Å; F14-T73 HydrophobicContact CD1-CG2 3.85Å; F14-T73 HydrophobicContact CE1-CG2 4.25Å; L15-T73 HydrophobicContact CB-CG2 3.89Å; L15-T73 HydrophobicContact CD1-CG2 4.04Å; L15-T73 HydrophobicContact CG-CG2 4.46Å; L18-T73 HydrophobicContact CD1-CG2 4.48Å; I69-T73 WeakPolarHBondContact O-CB 3.43Å; I69-T73 PolarHBondContact O-N 3.03Å; I69-T73 PolarHBondContact O-OG1 2.7Å; A71-T73 VanDerWaalsContact C-N 3.3Å; A71-T73 PolarHBondContact O-N 3.36Å; T73-L77 WeakPolarHBondContact O-CB 3.34Å; T73-L77 PolarHBondContact O-N 3.23Å
74K98Very high97Very high97 Ų9767 Ų6742%0.42236%0.363SS..Hα-helixtrans-71.7-41.1175-78.7176.3-178.5-1730112.4L15 E19 V70 A71 Q72 L77 S78L15-K74 HydrophobicContact CD1-CG 3.89Å; L15-K74 HydrophobicContact CD2-CG 3.64Å; L15-K74 HydrophobicContact CG-CG 4.42Å; E19-K74 WeakPolarHBondContact OE1-CE 3.34Å; E19-K74 IonicContact OE1-NZ 3.21Å; E19-K74 PolarHBondContact OE1-NZ 2.61Å; V70-K74 HydrophobicContact CG1-CD 4.35Å; V70-K74 VanDerWaalsContact O-CG 3.31Å; V70-K74 WeakPolarHBondContact O-CG 3.37Å; V70-K74 PolarHBondContact O-N 2.97Å; A71-K74 PolarHBondContact O-N 3.03Å; A71-K74 VanDerWaalsContact O-N 3.14Å; Q72-K74 VanDerWaalsContact C-N 3.34Å; Q72-K74 PolarHBondContact O-N 3.39Å; K74-L77 PolarHBondContact O-N 3.04Å; K74-S78 WeakPolarHBondContact O-CB 3.31Å; K74-S78 PolarHBondContact O-N 3.45Å
75D97.8Very high96.8Very high99 Ų9965.4 Ų65.453%0.52936%0.359SS..Hα-helixtrans-63.6-47172.7-17971.3000111.3A71 Q72 L77 S78 N79A71-D75 PolarHBondContact O-N 2.93Å; A71-D75 VanDerWaalsContact O-N 3.1Å; Q72-D75 PolarHBondContact O-N 3.2Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.25Å; D75-S78 WeakPolarHBondContact O-CB 3.44Å; D75-S78 PolarHBondContact O-N 2.97Å; D75-N79 VanDerWaalsContact CG-ND2 3.27Å; D75-N79 WeakPolarHBondContact O-CB 3.46Å; D75-N79 PolarHBondContact O-N 2.87Å; D75-N79 PolarHBondContact O-ND2 2.68Å; D75-N79 PolarHBondContact OD1-ND2 3.47Å; D75-N79 PolarHBondContact OD2-ND2 2.86Å
76L97.2Very high96.6Very high88 Ų8866 Ų6646%0.46136%0.361SS..Hα-helixtrans-54.5-46.9173.8176.762.3000112.2Q72 N79 M80Q72-L76 WeakPolarHBondContact O-CB 3.35Å; Q72-L76 PolarHBondContact O-N 3.14Å; L76-N79 PolarHBondContact O-N 3.45Å; L76-M80 HydrophobicContact CD1-CG 4.14Å; L76-M80 HydrophobicContact CD1-SD 3.91Å; L76-M80 HydrophobicContact CG-SD 3.92Å; L76-M80 WeakPolarHBondContact O-CB 3.46Å; L76-M80 VanDerWaalsContact O-CG 3.29Å; L76-M80 WeakPolarHBondContact O-CG 3.32Å; L76-M80 PolarHBondContact O-N 3.49Å
77L97.4Very high96.4Very high19 Ų1970.8 Ų70.810%0.09938%0.382CS..Hα-helixtrans-61.1-48.217817960.7000111.8C8 V11 R12 L15 T73 K74 D75 N79 M80 E81C8-L77 HydrophobicContact CB-CD1 3.89Å; C8-L77 WeakPolarHBondContact O-CD1 3.31Å; V11-L77 HydrophobicContact CB-CD1 4.24Å; V11-L77 HydrophobicContact CG1-CB 3.92Å; V11-L77 HydrophobicContact CG1-CD1 4.11Å; R12-L77 HydrophobicContact CG-CD1 3.89Å; R12-L77 HydrophobicContact CG-CD2 3.63Å; R12-L77 HydrophobicContact CG-CG 4.43Å; L15-L77 HydrophobicContact CD2-CD2 4.15Å; T73-L77 WeakPolarHBondContact O-CB 3.34Å; T73-L77 PolarHBondContact O-N 3.23Å; K74-L77 PolarHBondContact O-N 3.04Å; D75-L77 VanDerWaalsContact C-N 3.34Å; D75-L77 PolarHBondContact O-N 3.25Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.42Å; L77-M80 PolarHBondContact O-N 2.86Å; L77-E81 HydrophobicContact CD1-CG 4.09Å; L77-E81 HydrophobicContact CG-CG 4.48Å; L77-E81 WeakPolarHBondContact O-CB 3.35Å; L77-E81 WeakPolarHBondContact O-CG 3.41Å; L77-E81 PolarHBondContact O-N 3.36Å
78S96.8Very high96.2Very high71 Ų7172.6 Ų72.650%0.49739%0.393SS..Hα-helixtrans-57.6-44.9177.1179.70000111.9K74 D75 E81 S82K74-S78 WeakPolarHBondContact O-CB 3.31Å; K74-S78 PolarHBondContact O-N 3.45Å; D75-S78 WeakPolarHBondContact O-CB 3.44Å; D75-S78 PolarHBondContact O-N 2.97Å; S78-E81 PolarHBondContact O-N 3.29Å; S78-S82 WeakPolarHBondContact O-CB 3.47Å; S78-S82 PolarHBondContact O-N 2.67Å
79N96.4Very high96Very high82 Ų8271 Ų7144%0.43939%0.394SS..Hα-helixtrans-66.6-41.1177.8-73.9-45.5000112.1D75 L76 L77 S82 V83D75-N79 VanDerWaalsContact CG-ND2 3.27Å; D75-N79 WeakPolarHBondContact O-CB 3.46Å; D75-N79 PolarHBondContact O-N 2.87Å; D75-N79 PolarHBondContact O-ND2 2.68Å; D75-N79 PolarHBondContact OD1-ND2 3.47Å; D75-N79 PolarHBondContact OD2-ND2 2.86Å; L76-N79 PolarHBondContact O-N 3.45Å; L77-N79 VanDerWaalsContact C-N 3.33Å; L77-N79 PolarHBondContact O-N 3.42Å; N79-S82 PolarHBondContact O-N 3.39Å; N79-V83 WeakPolarHBondContact O-CG2 3.29Å; N79-V83 PolarHBondContact O-N 3.1Å
80M95.7Very high95.9Very high46 Ų4674.6 Ų74.623%0.22741%0.409CS..Hα-helixtrans-63.8-44.5174.2-75.2176.161.700112.2P7 V11 L76 L77 S82 V83 V84P7-M80 HydrophobicContact CB-CE 3.57Å; P7-M80 WeakPolarHBondContact O-CE 3.43Å; V11-M80 HydrophobicContact CG2-CE 3.98Å; V11-M80 HydrophobicContact CG2-SD 3.87Å; L76-M80 HydrophobicContact CD1-CG 4.14Å; L76-M80 HydrophobicContact CD1-SD 3.91Å; L76-M80 HydrophobicContact CG-SD 3.92Å; L76-M80 WeakPolarHBondContact O-CB 3.46Å; L76-M80 VanDerWaalsContact O-CG 3.29Å; L76-M80 WeakPolarHBondContact O-CG 3.32Å; L76-M80 PolarHBondContact O-N 3.49Å; L77-M80 PolarHBondContact O-N 2.86Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 2.68Å; M80-V83 PolarHBondContact O-N 3.13Å; M80-V84 WeakPolarHBondContact O-CB 3.35Å; M80-V84 WeakPolarHBondContact O-CG2 3.43Å; M80-V84 PolarHBondContact O-N 3.26Å
81E95Very high95.7Very high79 Ų7979.5 Ų79.537%0.36944%0.435SS..Hα-helixtrans-62.7-39.2176.5-71.7175.7163.300111.5C8 R12 L77 S78 G85C8-E81 HydrophobicContact CB-CG 4Å; R12-E81 IonicContact CZ-OE1 2.61Å; R12-E81 VanDerWaalsContact CZ-OE1 3.25Å; R12-E81 IonicContact NE-OE1 2.67Å; R12-E81 PolarHBondContact NE-OE1 3.19Å; R12-E81 IonicContact NH2-OE1 3.83Å; R12-E81 PolarHBondContact NH2-OE1 2.96Å; L77-E81 HydrophobicContact CD1-CG 4.09Å; L77-E81 HydrophobicContact CG-CG 4.48Å; L77-E81 WeakPolarHBondContact O-CB 3.35Å; L77-E81 WeakPolarHBondContact O-CG 3.41Å; L77-E81 PolarHBondContact O-N 3.36Å; S78-E81 PolarHBondContact O-N 3.29Å; E81-G85 PolarHBondContact O-N 3.4Å
82S95.3Very high95.6Very high54 Ų5482.9 Ų82.938%0.37844%0.44SS..Hα-helixtrans-63.8-42.3173.5-165.20000112.9S78 N79 M80 K86S78-S82 WeakPolarHBondContact O-CB 3.47Å; S78-S82 PolarHBondContact O-N 2.67Å; N79-S82 PolarHBondContact O-N 3.39Å; M80-S82 VanDerWaalsContact C-N 3.33Å; M80-S82 PolarHBondContact O-N 2.68Å; S82-K86 WeakPolarHBondContact O-CB 3.5Å; S82-K86 WeakPolarHBondContact O-CD 3.14Å; S82-K86 VanDerWaalsContact O-CG 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.22Å; S82-K86 PolarHBondContact O-N 3Å; S82-K86 VanDerWaalsContact O-N 3.13Å; S82-K86 PolarHBondContact OG-NZ 2.91Å
83V95Very high95.5Very high77 Ų7780.4 Ų80.447%0.46744%0.438SS..Hα-helixtrans-69.3-46.31791700000111.3N79 M80 G85 K86 Q87N79-V83 WeakPolarHBondContact O-CG2 3.29Å; N79-V83 PolarHBondContact O-N 3.1Å; M80-V83 PolarHBondContact O-N 3.13Å; V83-G85 PolarHBondContact O-N 2.87Å; V83-K86 PolarHBondContact O-N 3.44Å; V83-Q87 HydrophobicContact CG1-CG 4.43Å; V83-Q87 WeakPolarHBondContact O-CB 3.47Å; V83-Q87 WeakPolarHBondContact O-CG 3.49Å; V83-Q87 PolarHBondContact O-N 2.92Å
84V93.2Very high95.4Very high63 Ų6384.9 Ų84.938%0.38246%0.458SS..Hα-helixtrans-63-42.3178.4171.30000111M80 K86 Q87 M88M80-V84 WeakPolarHBondContact O-CB 3.35Å; M80-V84 WeakPolarHBondContact O-CG2 3.43Å; M80-V84 PolarHBondContact O-N 3.26Å; V84-K86 PolarHBondContact O-N 3.46Å; V84-Q87 PolarHBondContact O-N 3.27Å; V84-M88 WeakPolarHBondContact O-CB 3.36Å; V84-M88 PolarHBondContact O-N 3.47Å
85G92.5Very high95.3Very high41 Ų4186.3 Ų86.342%0.42347%0.466SS..Hα-helixtrans-61.2-43.8175.700000113E81 V83 M88 S89E81-G85 PolarHBondContact O-N 3.4Å; V83-G85 PolarHBondContact O-N 2.87Å; G85-M88 PolarHBondContact O-N 3.4Å; G85-S89 WeakPolarHBondContact O-CB 3.34Å; G85-S89 PolarHBondContact O-N 3.37Å
86K95.2Very high95.2Very high138 Ų13887.2 Ų87.260%0.647%0.467SS*.Hα-helixtrans-63.4-43.8175-74.1163.7-178.1152.60112.1S82 V83 V84 Q90S82-K86 WeakPolarHBondContact O-CB 3.5Å; S82-K86 WeakPolarHBondContact O-CD 3.14Å; S82-K86 VanDerWaalsContact O-CG 3.26Å; S82-K86 WeakPolarHBondContact O-CG 3.22Å; S82-K86 PolarHBondContact O-N 3Å; S82-K86 VanDerWaalsContact O-N 3.13Å; S82-K86 PolarHBondContact OG-NZ 2.91Å; V83-K86 PolarHBondContact O-N 3.44Å; V84-K86 PolarHBondContact O-N 3.46Å; K86-Q90 WeakPolarHBondContact O-CB 3.48Å; K86-Q90 PolarHBondContact O-N 3.38Å
87Q92.9Very high95.1Very high109 Ų10990.8 Ų90.851%0.50948%0.479SS..Hα-helixtrans-64-41.9177.3-75176.5-17.300112V83 V84 Q90 L91V83-Q87 HydrophobicContact CG1-CG 4.43Å; V83-Q87 WeakPolarHBondContact O-CB 3.47Å; V83-Q87 WeakPolarHBondContact O-CG 3.49Å; V83-Q87 PolarHBondContact O-N 2.92Å; V84-Q87 PolarHBondContact O-N 3.27Å; Q87-Q90 PolarHBondContact O-N 3.05Å; Q87-L91 WeakPolarHBondContact O-CB 3.37Å; Q87-L91 VanDerWaalsContact O-CG 3.28Å; Q87-L91 WeakPolarHBondContact O-CG 3.18Å; Q87-L91 PolarHBondContact O-N 3.32Å
88M92.6Very high95.1Very high134 Ų13494.8 Ų94.866%0.6649%0.493SS*.Hα-helixtrans-64.7-46.9177.8-174.1168.717700111.5V84 G85 Q90 L91 E92V84-M88 WeakPolarHBondContact O-CB 3.36Å; V84-M88 PolarHBondContact O-N 3.47Å; G85-M88 PolarHBondContact O-N 3.4Å; M88-Q90 PolarHBondContact O-N 3.21Å; M88-L91 PolarHBondContact O-N 3.13Å; M88-E92 WeakPolarHBondContact O-CB 3.41Å; M88-E92 PolarHBondContact O-N 3.45Å
89S94.7Very high95Very high74 Ų7493.8 Ų93.852%0.51748%0.484SS..Hα-helixtrans-63.8-37176.3178.10000112.8G85 E92 A93G85-S89 WeakPolarHBondContact O-CB 3.34Å; G85-S89 PolarHBondContact O-N 3.37Å; S89-E92 PolarHBondContact O-N 2.95Å; S89-A93 WeakPolarHBondContact O-CB 3.27Å; S89-A93 PolarHBondContact O-N 2.89Å
90Q95.5Very high95Very high114 Ų11494.3 Ų94.353%0.53349%0.487SS..Hα-helixtrans-65-45.8173.5-179.4177.5-1300111.7K86 Q87 M88 E92 A93 E94K86-Q90 WeakPolarHBondContact O-CB 3.48Å; K86-Q90 PolarHBondContact O-N 3.38Å; Q87-Q90 PolarHBondContact O-N 3.05Å; M88-Q90 PolarHBondContact O-N 3.21Å; Q90-E92 VanDerWaalsContact C-N 3.3Å; Q90-E92 PolarHBondContact O-N 2.96Å; Q90-A93 PolarHBondContact O-N 3.22Å; Q90-E94 HydrophobicContact CG-CG 4.4Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.27Å; Q90-E94 PolarHBondContact NE2-OE1 3Å; Q90-E94 WeakPolarHBondContact O-CB 3.49Å; Q90-E94 WeakPolarHBondContact O-CG 3.41Å; Q90-E94 PolarHBondContact O-N 3.01Å
91L95.5Very high95Very high113 Ų11395.2 Ų95.259%0.59250%0.497SS*.Hα-helixtrans-63.5-36.1178-73.7168.4000112.3Q87 M88 H95Q87-L91 WeakPolarHBondContact O-CB 3.37Å; Q87-L91 VanDerWaalsContact O-CG 3.28Å; Q87-L91 WeakPolarHBondContact O-CG 3.18Å; Q87-L91 PolarHBondContact O-N 3.32Å; M88-L91 PolarHBondContact O-N 3.13Å; L91-H95 VanDerWaalsContact O-CB 3.24Å; L91-H95 WeakPolarHBondContact O-CB 3.49Å; L91-H95 PolarHBondContact O-N 3.48Å
92E94.9Very high95Very high130 Ų13093.6 Ų93.661%0.60749%0.488SS*.Hα-helixtrans-65-47.9174.6-174.6166.3-144.100111.7M88 S89 Q90 E94 H95 E96M88-E92 WeakPolarHBondContact O-CB 3.41Å; M88-E92 PolarHBondContact O-N 3.45Å; S89-E92 PolarHBondContact O-N 2.95Å; Q90-E92 VanDerWaalsContact C-N 3.3Å; Q90-E92 PolarHBondContact O-N 2.96Å; E92-E94 PolarHBondContact O-N 3.2Å; E92-H95 PolarHBondContact O-N 3.18Å; E92-E96 PolarHBondContact O-N 3.2Å
93A96.1Very high95.1Very high53 Ų5395.2 Ų95.244%0.43849%0.492SS..Hα-helixtrans-66.6-35.7176.600000113.2S89 Q90 K97S89-A93 WeakPolarHBondContact O-CB 3.27Å; S89-A93 PolarHBondContact O-N 2.89Å; Q90-A93 PolarHBondContact O-N 3.22Å; A93-K97 VanDerWaalsContact O-CB 3.24Å; A93-K97 WeakPolarHBondContact O-CB 3.45Å; A93-K97 PolarHBondContact O-N 3.39Å
94E95.8Very high95.2Very high102 Ų10294 Ų9448%0.47749%0.488SS..Hα-helixtrans-67.2-39.1172.9-76.2179.2-165.400111.6Q90 E92 Y98Q90-E94 HydrophobicContact CG-CG 4.4Å; Q90-E94 WeakPolarHBondContact CG-OE1 3.27Å; Q90-E94 PolarHBondContact NE2-OE1 3Å; Q90-E94 WeakPolarHBondContact O-CB 3.49Å; Q90-E94 WeakPolarHBondContact O-CG 3.41Å; Q90-E94 PolarHBondContact O-N 3.01Å; E92-E94 PolarHBondContact O-N 3.2Å; E94-Y98 WeakPolarHBondContact O-CB 3.45Å; E94-Y98 PolarHBondContact O-N 3.33Å
95H95.8Very high95.3Very high126 Ų12692.2 Ų92.258%0.58348%0.476SS*.Hα-helixtrans-66.1-46.6174.6178.9-87.4000112L91 E92 K97 Y98 T99L91-H95 VanDerWaalsContact O-CB 3.24Å; L91-H95 WeakPolarHBondContact O-CB 3.49Å; L91-H95 PolarHBondContact O-N 3.48Å; E92-H95 PolarHBondContact O-N 3.18Å; H95-K97 PolarHBondContact O-N 2.68Å; H95-Y98 PolarHBondContact O-N 2.92Å; H95-T99 PolarHBondContact O-N 3.17Å; H95-T99 PolarHBondContact O-OG1 3.17Å; H95-T99 VanDerWaalsContact O-OG1 3.06Å
96E95.9Very high95.5Very high119 Ų11992.4 Ų92.456%0.55647%0.465SS*.Hα-helixtrans-57.3-50.3174.7-174.1-170.1178.900111E92 Y98 T99 L100E92-E96 PolarHBondContact O-N 3.2Å; E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 2.98Å; E96-T99 PolarHBondContact O-N 3.44Å; E96-T99 VanDerWaalsContact O-N 3.1Å; E96-L100 HydrophobicContact CG-CD1 4.03Å; E96-L100 HydrophobicContact CG-CG 4.39Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 3.21Å
97K95.9Very high95.5Very high162 Ų16291.4 Ų91.470%0.70446%0.464SS*.Hα-helixtrans-59-39.8178.1-176.4178.6-179.6179.40112.3A93 H95 S101A93-K97 VanDerWaalsContact O-CB 3.24Å; A93-K97 WeakPolarHBondContact O-CB 3.45Å; A93-K97 PolarHBondContact O-N 3.39Å; H95-K97 PolarHBondContact O-N 2.68Å; K97-S101 VanDerWaalsContact O-CB 3.29Å; K97-S101 WeakPolarHBondContact O-CB 3.28Å; K97-S101 PolarHBondContact O-N 3.46Å; K97-S101 VanDerWaalsContact O-N 3.08Å
98Y96.1Very high95.6Very high103 Ų10387 Ų8740%0.40445%0.445SS..Hα-helixtrans-64.7-46.1173.3169.6-98000111.6E94 H95 E96 S101 Y102 N185E94-Y98 WeakPolarHBondContact O-CB 3.45Å; E94-Y98 PolarHBondContact O-N 3.33Å; H95-Y98 PolarHBondContact O-N 2.92Å; E96-Y98 VanDerWaalsContact C-N 3.3Å; E96-Y98 PolarHBondContact O-N 2.98Å; Y98-S101 PolarHBondContact O-N 2.97Å; Y98-Y102 WeakPolarHBondContact O-CB 3.48Å; Y98-Y102 PolarHBondContact O-N 2.92Å; Y98-N185 PolarHBondContact OH-OD1 3.48Å
99T95.4Very high95.7Very high50 Ų5080.6 Ų80.631%0.30741%0.413SS..Hα-helixtrans-61.7-45.6178.6-61.40000112.1H95 E96 S101 Y102 L103H95-T99 PolarHBondContact O-N 3.17Å; H95-T99 PolarHBondContact O-OG1 3.17Å; H95-T99 VanDerWaalsContact O-OG1 3.06Å; E96-T99 PolarHBondContact O-N 3.44Å; E96-T99 VanDerWaalsContact O-N 3.1Å; T99-S101 PolarHBondContact O-N 2.98Å; T99-Y102 PolarHBondContact O-N 2.63Å; T99-L103 HydrophobicContact CG2-CD1 3.89Å; T99-L103 HydrophobicContact CG2-CG 4.39Å; T99-L103 WeakPolarHBondContact O-CB 3.25Å; T99-L103 VanDerWaalsContact O-CG 3.29Å; T99-L103 WeakPolarHBondContact O-CG 3.38Å; T99-L103 PolarHBondContact O-N 3.27Å
100L96.3Very high95.7Very high93 Ų9380 Ų8049%0.48740%0.403SS..Hα-helixtrans-62.8-41.5176.3-69.1173.6000112E96 L103 S104E96-L100 HydrophobicContact CG-CD1 4.03Å; E96-L100 HydrophobicContact CG-CG 4.39Å; E96-L100 WeakPolarHBondContact O-CG 3.36Å; E96-L100 PolarHBondContact O-N 3.21Å; L100-L103 PolarHBondContact O-N 3.43Å; L100-S104 WeakPolarHBondContact O-CB 3.35Å; L100-S104 PolarHBondContact O-N 2.95Å
101S95.3Very high95.7Very high65 Ų6581.5 Ų81.546%0.45540%0.404SS..Hα-helixtrans-62-48.4174.9-175.10000111.7K97 Y98 T99 L103 S104 I105K97-S101 VanDerWaalsContact O-CB 3.29Å; K97-S101 WeakPolarHBondContact O-CB 3.28Å; K97-S101 PolarHBondContact O-N 3.46Å; K97-S101 VanDerWaalsContact O-N 3.08Å; Y98-S101 PolarHBondContact O-N 2.97Å; T99-S101 PolarHBondContact O-N 2.98Å; S101-L103 PolarHBondContact O-N 3.37Å; S101-S104 PolarHBondContact O-N 3.44Å; S101-I105 WeakPolarHBondContact O-CD1 3.49Å; S101-I105 WeakPolarHBondContact O-CG1 3.26Å; S101-I105 PolarHBondContact O-N 3.44Å
102Y96.3Very high95.8Very high46 Ų4676.1 Ų76.118%0.1838%0.375CS..Hα-helixtrans-58.9-47176.9-179.4-82.1000111.8Y98 T99 I105 H106 F181 M184Y98-Y102 WeakPolarHBondContact O-CB 3.48Å; Y98-Y102 PolarHBondContact O-N 2.92Å; T99-Y102 PolarHBondContact O-N 2.63Å; Y102-I105 PolarHBondContact O-N 3.42Å; Y102-H106 VanDerWaalsContact O-CB 3.3Å; Y102-H106 WeakPolarHBondContact O-CB 3.19Å; Y102-H106 PolarHBondContact O-N 2.91Å; Y102-F181 HydrophobicContact CE2-CD2 4.12Å; Y102-M184 HydrophobicContact CD2-CB 3.97Å; Y102-M184 HydrophobicContact CE2-CB 3.5Å; Y102-M184 HydrophobicContact CE2-CG 4.14Å
103L96.7Very high95.9Very high87 Ų8770.1 Ų70.146%0.45535%0.347SS..Hα-helixtrans-65.9-36.9179.3-72.1172.9000112.5T99 L100 S101 H106 M107T99-L103 HydrophobicContact CG2-CD1 3.89Å; T99-L103 HydrophobicContact CG2-CG 4.39Å; T99-L103 WeakPolarHBondContact O-CB 3.25Å; T99-L103 VanDerWaalsContact O-CG 3.29Å; T99-L103 WeakPolarHBondContact O-CG 3.38Å; T99-L103 PolarHBondContact O-N 3.27Å; L100-L103 PolarHBondContact O-N 3.43Å; S101-L103 PolarHBondContact O-N 3.37Å; L103-H106 PolarHBondContact O-N 3.32Å; L103-M107 WeakPolarHBondContact O-CB 3.43Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.11Å
104S96.1Very high95.8Very high53 Ų5370.6 Ų70.637%0.37135%0.351SS..Hα-helixtrans-62.9-47174.3-178.90000111.8L100 S101 H106 M107 C108L100-S104 WeakPolarHBondContact O-CB 3.35Å; L100-S104 PolarHBondContact O-N 2.95Å; S101-S104 PolarHBondContact O-N 3.44Å; S104-H106 VanDerWaalsContact C-N 3.33Å; S104-H106 PolarHBondContact O-N 3.49Å; S104-M107 PolarHBondContact O-N 3.32Å; S104-C108 VanDerWaalsContact O-CB 3.28Å; S104-C108 WeakPolarHBondContact O-CB 3.38Å; S104-C108 PolarHBondContact O-N 2.99Å
105I96.2Very high95.8Very high25 Ų2566.2 Ų66.213%0.12833%0.331CS..Hα-helixtrans-61.3-43174.6-66.8156.3000110.8S101 Y102 C108 L109 M184 R211 F215S101-I105 WeakPolarHBondContact O-CD1 3.49Å; S101-I105 WeakPolarHBondContact O-CG1 3.26Å; S101-I105 PolarHBondContact O-N 3.44Å; Y102-I105 PolarHBondContact O-N 3.42Å; I105-C108 PolarHBondContact O-N 3.34Å; I105-L109 HydrophobicContact CG2-CD1 4.13Å; I105-L109 WeakPolarHBondContact O-CG 3.41Å; I105-L109 PolarHBondContact O-N 2.92Å; I105-M184 HydrophobicContact CG2-CB 4.28Å; I105-M184 HydrophobicContact CG2-SD 3.92Å; I105-R211 VanDerWaalsContact CD1-NH2 3.33Å; I105-F215 HydrophobicContact CG2-CZ 4.22Å
106H95.7Very high95.9Very high45 Ų4560.2 Ų60.221%0.20830%0.304CS..Hα-helixtrans-60.9-53.8178.1-173.3-93.4000111.8Y102 L103 S104 C108 L109 E110 M184Y102-H106 VanDerWaalsContact O-CB 3.3Å; Y102-H106 WeakPolarHBondContact O-CB 3.19Å; Y102-H106 PolarHBondContact O-N 2.91Å; L103-H106 PolarHBondContact O-N 3.32Å; S104-H106 VanDerWaalsContact C-N 3.33Å; S104-H106 PolarHBondContact O-N 3.49Å; H106-C108 VanDerWaalsContact C-N 3.27Å; H106-C108 PolarHBondContact O-N 3.22Å; H106-L109 PolarHBondContact O-N 2.68Å; H106-E110 WeakPolarHBondContact O-CB 3.23Å; H106-E110 VanDerWaalsContact O-CG 3.31Å; H106-E110 WeakPolarHBondContact O-CG 3.4Å; H106-E110 PolarHBondContact O-N 3.32Å; H106-M184 HydrophobicContact CB-CG 4.24Å; H106-M184 HydrophobicContact CB-SD 4.21Å
107M95.2Very high95.8Very high116 Ų11659.5 Ų59.557%0.57130%0.304SS*.Hα-helixtrans-61.2-34.9177.8-68.4-69.997.400112.8L103 S104 R111L103-M107 WeakPolarHBondContact O-CB 3.43Å; L103-M107 WeakPolarHBondContact O-CG 3.44Å; L103-M107 PolarHBondContact O-N 3.11Å; S104-M107 PolarHBondContact O-N 3.32Å; M107-R111 WeakPolarHBondContact O-CB 3.46Å; M107-R111 PolarHBondContact O-N 2.95Å; M107-R111 VanDerWaalsContact O-N 3.12Å
108C94.9Very high95.8Very high16 Ų1655.5 Ų55.511%0.10829%0.289CS..Hα-helixtrans-64-48.6174.5-177.60000112.3S104 I105 H106 F112 L359S104-C108 VanDerWaalsContact O-CB 3.28Å; S104-C108 WeakPolarHBondContact O-CB 3.38Å; S104-C108 PolarHBondContact O-N 2.99Å; I105-C108 PolarHBondContact O-N 3.34Å; H106-C108 VanDerWaalsContact C-N 3.27Å; H106-C108 PolarHBondContact O-N 3.22Å; C108-F112 PolarHBondContact O-N 3.29Å; C108-F112 VanDerWaalsContact O-N 3.13Å; C108-L359 HydrophobicContact CB-CD2 4.04Å
109L96.5Very high95.9Very high0 Ų055.4 Ų55.40%030%0.302CS..Hα-helixtrans-76.5-36.7-177.4-66.5-174.4000113I105 H106 F112 F113 L183 M184 R211 C214 F215 L218I105-L109 HydrophobicContact CG2-CD1 4.13Å; I105-L109 WeakPolarHBondContact O-CG 3.41Å; I105-L109 PolarHBondContact O-N 2.92Å; H106-L109 PolarHBondContact O-N 2.68Å; L109-F112 WeakPolarHBondContact O-CB 3.3Å; L109-F112 PolarHBondContact O-N 3.46Å; L109-F112 VanDerWaalsContact O-N 3.15Å; L109-F113 HydrophobicContact CB-CE2 4.41Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 2.88Å; L109-L183 HydrophobicContact CD1-CD2 4.45Å; L109-L183 HydrophobicContact CD1-CG 4.27Å; L109-M184 HydrophobicContact CB-CE 4.09Å; L109-M184 HydrophobicContact CB-SD 4.18Å; L109-M184 HydrophobicContact CD1-CE 4.29Å; L109-M184 HydrophobicContact CD1-SD 3.78Å; L109-M184 HydrophobicContact CG-SD 4.4Å; L109-R211 HydrophobicContact CD1-CG 4.47Å; L109-C214 HydrophobicContact CD2-CB 3.51Å; L109-F215 HydrophobicContact CD1-CE2 4.37Å; L109-F215 HydrophobicContact CD2-CE2 4.41Å; L109-F215 HydrophobicContact CD2-CZ 4.3Å; L109-F215 HydrophobicContact CG-CZ 4.43Å; L109-L218 HydrophobicContact CD2-CD1 3.96Å
110E94Very high95.9Very high63 Ų6356.9 Ų56.929%0.29431%0.311SS..Hα-helixtrans-62.6-43.8172.6-69.9-55.6122.400111.4H106 F112 F113 A114H106-E110 WeakPolarHBondContact O-CB 3.23Å; H106-E110 VanDerWaalsContact O-CG 3.31Å; H106-E110 WeakPolarHBondContact O-CG 3.4Å; H106-E110 PolarHBondContact O-N 3.32Å; E110-F112 PolarHBondContact O-N 3.01Å; E110-F113 PolarHBondContact O-N 3.5Å; E110-A114 WeakPolarHBondContact O-CB 3.38Å; E110-A114 PolarHBondContact O-N 2.94Å
111R94.9Very high96Very high145 Ų14552.5 Ų52.555%0.54729%0.287SS..Hα-helixtrans-61.3-33.3173.4-177.7172175163.1-2.8112.1M107 S115M107-R111 WeakPolarHBondContact O-CB 3.46Å; M107-R111 PolarHBondContact O-N 2.95Å; M107-R111 VanDerWaalsContact O-N 3.12Å; R111-S115 WeakPolarHBondContact O-CB 3.43Å; R111-S115 PolarHBondContact O-N 3.41Å
112F97.2Very high96.1Very high0 Ų052.7 Ų52.70%028%0.278CS..Hα-helixtrans-67.6-51.3172.8178.7-113.9000112C108 L109 E110 A114 S115 L116 V125 L137 C214 L217 L218 V223 M227C108-F112 PolarHBondContact O-N 3.29Å; C108-F112 VanDerWaalsContact O-N 3.13Å; L109-F112 WeakPolarHBondContact O-CB 3.3Å; L109-F112 PolarHBondContact O-N 3.46Å; L109-F112 VanDerWaalsContact O-N 3.15Å; E110-F112 PolarHBondContact O-N 3.01Å; F112-A114 VanDerWaalsContact C-N 3.34Å; F112-A114 PolarHBondContact O-N 3.46Å; F112-S115 WeakPolarHBondContact O-CB 3.17Å; F112-S115 PolarHBondContact O-N 3.44Å; F112-S115 PolarHBondContact O-OG 2.93Å; F112-L116 HydrophobicContact CE2-CD2 4.3Å; F112-L116 HydrophobicContact CZ-CD2 4.11Å; F112-L116 PolarHBondContact O-N 2.95Å; F112-V125 HydrophobicContact CE2-CG2 4.28Å; F112-V125 HydrophobicContact CZ-CG2 4.27Å; F112-L137 HydrophobicContact CE1-CD1 3.98Å; F112-L137 HydrophobicContact CE1-CD2 4.2Å; F112-L137 HydrophobicContact CZ-CD1 4.05Å; F112-C214 HydrophobicContact CD1-CB 4.03Å; F112-C214 HydrophobicContact CE1-CB 4.04Å; F112-L217 HydrophobicContact CE2-CB 4.31Å; F112-L217 HydrophobicContact CZ-CB 4.03Å; F112-L217 HydrophobicContact CZ-CD1 3.88Å; F112-L218 HydrophobicContact CB-CD1 4.16Å; F112-L218 HydrophobicContact CB-CD2 4.14Å; F112-L218 HydrophobicContact CB-CG 4.41Å; F112-L218 HydrophobicContact CD2-CD2 3.81Å; F112-L218 HydrophobicContact CD2-CG 4Å; F112-L218 HydrophobicContact CG-CD1 4.27Å; F112-L218 HydrophobicContact CG-CD2 4.2Å; F112-L218 HydrophobicContact CG-CG 4.19Å; F112-V223 HydrophobicContact CE2-CG1 4.16Å; F112-M227 HydrophobicContact CB-CE 4.39Å; F112-M227 HydrophobicContact CD2-CE 4.19Å; F112-M227 HydrophobicContact CD2-SD 3.83Å; F112-M227 HydrophobicContact CE2-SD 4.43Å
113F96.9Very high96.2Very high4 Ų452.8 Ų52.82%0.01829%0.286CS..Hα-helixtrans-63-36.4179.4-73.1-63.3000113.5L109 E110 S115 L116 L137 V140 R141 L144 L183L109-F113 HydrophobicContact CB-CE2 4.41Å; L109-F113 WeakPolarHBondContact O-CD2 3.48Å; L109-F113 PolarHBondContact O-N 2.88Å; E110-F113 PolarHBondContact O-N 3.5Å; F113-S115 VanDerWaalsContact C-N 3.32Å; F113-L116 HydrophobicContact CD1-CD1 3.94Å; F113-L116 WeakPolarHBondContact O-CB 3.24Å; F113-L116 PolarHBondContact O-N 3.13Å; F113-L137 HydrophobicContact CE1-CB 4.45Å; F113-L137 HydrophobicContact CE1-CD2 3.94Å; F113-L137 HydrophobicContact CZ-CD2 4.46Å; F113-V140 HydrophobicContact CE1-CB 4.49Å; F113-V140 HydrophobicContact CE1-CG1 4.11Å; F113-V140 HydrophobicContact CZ-CG1 3.81Å; F113-R141 HydrophobicContact CB-CG 4.09Å; F113-R141 HydrophobicContact CD1-CB 3.91Å; F113-R141 HydrophobicContact CD1-CG 4.39Å; F113-R141 HydrophobicContact CG-CB 4.44Å; F113-R141 HydrophobicContact CG-CG 4.48Å; F113-R141 VanDerWaalsContact O-CD 3.32Å; F113-R141 WeakPolarHBondContact O-CD 3.37Å; F113-R141 PolarHBondContact O-NH1 3.14Å; F113-R141 VanDerWaalsContact O-NH1 3.14Å; F113-L144 HydrophobicContact CD2-CD1 4.05Å; F113-L144 HydrophobicContact CE2-CD1 3.55Å; F113-L144 HydrophobicContact CZ-CD1 3.89Å; F113-L183 HydrophobicContact CE2-CD2 3.63Å; F113-L183 HydrophobicContact CZ-CD2 3.84Å
114A94.8Very high96.2Very high63 Ų6348.8 Ų48.852%0.52127%0.265SS..Hα-helixtrans-66-33.6172.300000112.3E110 F112 L116 D117E110-A114 WeakPolarHBondContact O-CB 3.38Å; E110-A114 PolarHBondContact O-N 2.94Å; F112-A114 VanDerWaalsContact C-N 3.34Å; F112-A114 PolarHBondContact O-N 3.46Å; A114-L116 PolarHBondContact O-N 3.25Å; A114-D117 PolarHBondContact O-N 3.33Å
115S96.3Very high96.2Very high9 Ų946.3 Ų46.36%0.06325%0.248CC..Hα-helixtrans-70.6-14.2176.5770000113.9R111 F112 F113 D117 I118 V121 M227R111-S115 WeakPolarHBondContact O-CB 3.43Å; R111-S115 PolarHBondContact O-N 3.41Å; F112-S115 WeakPolarHBondContact O-CB 3.17Å; F112-S115 PolarHBondContact O-N 3.44Å; F112-S115 PolarHBondContact O-OG 2.93Å; F113-S115 VanDerWaalsContact C-N 3.32Å; S115-D117 PolarHBondContact O-N 3.37Å; S115-I118 WeakPolarHBondContact O-CB 3.44Å; S115-I118 WeakPolarHBondContact O-CG1 3.48Å; S115-I118 PolarHBondContact O-N 3.13Å; S115-V121 WeakPolarHBondContact O-CB 3.5Å; S115-M227 WeakPolarHBondContact OG-CE 3.36Å
116L96.6Very high96.3Very high0 Ų047.2 Ų47.20%025%0.254CS..THydrogen-bonded Turntrans-71-8.2176.9-59.9-179.5000114.1F112 F113 A114 I118 V121 R122 V125 L134 L137F112-L116 HydrophobicContact CE2-CD2 4.3Å; F112-L116 HydrophobicContact CZ-CD2 4.11Å; F112-L116 PolarHBondContact O-N 2.95Å; F113-L116 HydrophobicContact CD1-CD1 3.94Å; F113-L116 WeakPolarHBondContact O-CB 3.24Å; F113-L116 PolarHBondContact O-N 3.13Å; A114-L116 PolarHBondContact O-N 3.25Å; L116-I118 VanDerWaalsContact C-N 3.3Å; L116-V121 HydrophobicContact CD2-CG1 4.35Å; L116-R122 WeakPolarHBondContact O-CD 3.35Å; L116-R122 WeakPolarHBondContact O-CG 3.32Å; L116-R122 PolarHBondContact O-NH1 3.01Å; L116-V125 HydrophobicContact CD2-CG2 4.17Å; L116-L134 HydrophobicContact CD2-CD1 4.24Å; L116-L137 HydrophobicContact CD1-CB 3.79Å
117D94.4Very high96.3Very high104 Ų10452.3 Ų52.356%0.55628%0.276SS*.THydrogen-bonded Turntrans-80-13.6167.8-64.1-49000112.6A114 S115 P119 R141A114-D117 PolarHBondContact O-N 3.33Å; S115-D117 PolarHBondContact O-N 3.37Å; D117-P119 WeakPolarHBondContact O-CD 3.36Å; D117-R141 IonicContact OD1-CZ 3.4Å; D117-R141 VanDerWaalsContact OD1-CZ 3.3Å; D117-R141 IonicContact OD1-NH1 2.81Å; D117-R141 PolarHBondContact OD1-NH1 3.46Å; D117-R141 IonicContact OD1-NH2 3.32Å; D117-R141 PolarHBondContact OD1-NH2 3.48Å; D117-R141 IonicContact OD2-CZ 2.68Å; D117-R141 IonicContact OD2-NH1 3.92Å; D117-R141 PolarHBondContact OD2-NH1 2.97Å; D117-R141 IonicContact OD2-NH2 3.94Å
118I96.5Very high96.4Very high78 Ų7848.5 Ų48.540%0.426%0.261SS..SBendtrans-84.7119.1-179.1-48.9176.9000109.5S115 L116 T120 V121 R122S115-I118 WeakPolarHBondContact O-CB 3.44Å; S115-I118 WeakPolarHBondContact O-CG1 3.48Å; S115-I118 PolarHBondContact O-N 3.13Å; L116-I118 VanDerWaalsContact C-N 3.3Å; I118-T120 VanDerWaalsContact C-N 3.27Å; I118-T120 VanDerWaalsContact CG2-OG1 3.28Å; I118-T120 WeakPolarHBondContact CG2-OG1 3.41Å; I118-T120 PolarHBondContact O-N 2.94Å; I118-T120 VanDerWaalsContact O-N 3.15Å; I118-V121 HydrophobicContact CB-CB 4.29Å; I118-V121 HydrophobicContact CB-CG2 3.95Å; I118-V121 HydrophobicContact CD1-CG2 4.36Å; I118-V121 HydrophobicContact CG2-CG2 4.33Å; I118-V121 PolarHBondContact O-N 3.29Å; I118-V121 VanDerWaalsContact O-N 3.08Å; I118-R122 PolarHBondContact O-N 2.94Å
119P97.1Very high96.3Very high102 Ų10249.8 Ų49.866%0.66227%0.27SS*.Hα-helixtrans-60.7-29.1-174.3-27.336.2000115.2D117 S123D117-P119 WeakPolarHBondContact O-CD 3.36Å; P119-S123 WeakPolarHBondContact O-CB 3.4Å; P119-S123 PolarHBondContact O-N 3.36Å
120T97.1Very high96.2Very high81 Ų8151.7 Ų51.750%0.49728%0.283SS..Hα-helixtrans-65.5-46.4174.550.90000111.4I118 S123 A124I118-T120 VanDerWaalsContact C-N 3.27Å; I118-T120 VanDerWaalsContact CG2-OG1 3.28Å; I118-T120 WeakPolarHBondContact CG2-OG1 3.41Å; I118-T120 PolarHBondContact O-N 2.94Å; I118-T120 VanDerWaalsContact O-N 3.15Å; T120-S123 WeakPolarHBondContact O-CB 3.45Å; T120-S123 PolarHBondContact O-N 2.68Å; T120-A124 PolarHBondContact O-N 3.19Å
121V97.2Very high96.2Very high0 Ų052.5 Ų52.50%029%0.287CS..Hα-helixtrans-62.8-44.7176.2-179.50000110.6S115 L116 I118 S123 A124 V125 S226 M227S115-V121 WeakPolarHBondContact O-CB 3.5Å; L116-V121 HydrophobicContact CD2-CG1 4.35Å; I118-V121 HydrophobicContact CB-CB 4.29Å; I118-V121 HydrophobicContact CB-CG2 3.95Å; I118-V121 HydrophobicContact CD1-CG2 4.36Å; I118-V121 HydrophobicContact CG2-CG2 4.33Å; I118-V121 PolarHBondContact O-N 3.29Å; I118-V121 VanDerWaalsContact O-N 3.08Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-S123 PolarHBondContact O-N 3.27Å; V121-A124 PolarHBondContact O-N 3.5Å; V121-A124 VanDerWaalsContact O-N 3.13Å; V121-V125 HydrophobicContact CG1-CG2 4.32Å; V121-V125 WeakPolarHBondContact O-CG2 3.4Å; V121-V125 PolarHBondContact O-N 2.99Å; V121-S226 VanDerWaalsContact CG2-O 3.27Å; V121-S226 WeakPolarHBondContact CG2-O 3.48Å; V121-M227 HydrophobicContact CG1-CG 4.08Å; V121-M227 HydrophobicContact CG2-CG 3.85Å
122R97.7Very high96.1Very high69 Ų6949.3 Ų49.326%0.2628%0.281SS..Hα-helixtrans-55.6-46.9173.5-63.5-172.377.478.20.9111.5L116 I118 A124 V125 T126 L134 D138L116-R122 WeakPolarHBondContact O-CD 3.35Å; L116-R122 WeakPolarHBondContact O-CG 3.32Å; L116-R122 PolarHBondContact O-NH1 3.01Å; I118-R122 PolarHBondContact O-N 2.94Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.36Å; R122-V125 PolarHBondContact O-N 3.37Å; R122-T126 PolarHBondContact O-N 2.89Å; R122-T126 PolarHBondContact O-OG1 3.06Å; R122-L134 HydrophobicContact CB-CD2 4.05Å; R122-L134 HydrophobicContact CG-CD2 4.47Å; R122-D138 IonicContact CZ-OD1 3.51Å; R122-D138 IonicContact CZ-OD2 3.63Å; R122-D138 IonicContact NH1-OD1 2.75Å; R122-D138 PolarHBondContact NH1-OD1 2.87Å; R122-D138 IonicContact NH1-OD2 3.65Å; R122-D138 IonicContact NH2-OD1 3.35Å; R122-D138 PolarHBondContact NH2-OD1 3.4Å; R122-D138 IonicContact NH2-OD2 2.7Å; R122-D138 PolarHBondContact NH2-OD2 3.15Å
123S97.3Very high95.9Very high49 Ų4950.9 Ų50.934%0.34329%0.289SS..Hα-helixtrans-59.8-41.8176.2-168.70000112.5P119 T120 V121 K127P119-S123 WeakPolarHBondContact O-CB 3.4Å; P119-S123 PolarHBondContact O-N 3.36Å; T120-S123 WeakPolarHBondContact O-CB 3.45Å; T120-S123 PolarHBondContact O-N 2.68Å; V121-S123 VanDerWaalsContact C-N 3.32Å; V121-S123 PolarHBondContact O-N 3.27Å; S123-K127 WeakPolarHBondContact O-CB 3.34Å; S123-K127 WeakPolarHBondContact O-CD 3.39Å; S123-K127 WeakPolarHBondContact O-CG 3.19Å; S123-K127 PolarHBondContact O-N 2.86Å; S123-K127 WeakPolarHBondContact OG-CE 3.2Å; S123-K127 PolarHBondContact OG-NZ 3.01Å
124A97.3Very high95.8Very high3 Ų350.9 Ų50.93%0.02529%0.289CS..Hα-helixtrans-66.9-42.6176.700000112.5T120 V121 R122 K127 S128 L222 V223 S226T120-A124 PolarHBondContact O-N 3.19Å; V121-A124 PolarHBondContact O-N 3.5Å; V121-A124 VanDerWaalsContact O-N 3.13Å; R122-A124 VanDerWaalsContact C-N 3.34Å; R122-A124 PolarHBondContact O-N 3.36Å; A124-K127 PolarHBondContact O-N 3.26Å; A124-S128 VanDerWaalsContact O-CB 3.28Å; A124-S128 WeakPolarHBondContact O-CB 3.38Å; A124-S128 PolarHBondContact O-N 3.49Å; A124-S128 PolarHBondContact O-OG 3.06Å; A124-L222 HydrophobicContact CB-CB 4.41Å; A124-L222 WeakPolarHBondContact CB-O 3.27Å; A124-V223 HydrophobicContact CB-CG2 4.07Å; A124-S226 WeakPolarHBondContact CB-OG 3.32Å
125V97.4Very high95.8Very high0 Ų052.5 Ų52.50%029%0.285CS..Hα-helixtrans-63.6-42.3176.5170.90000111.6F112 L116 V121 R122 S129 L134 L137 L217 V223F112-V125 HydrophobicContact CE2-CG2 4.28Å; F112-V125 HydrophobicContact CZ-CG2 4.27Å; L116-V125 HydrophobicContact CD2-CG2 4.17Å; V121-V125 HydrophobicContact CG1-CG2 4.32Å; V121-V125 WeakPolarHBondContact O-CG2 3.4Å; V121-V125 PolarHBondContact O-N 2.99Å; R122-V125 PolarHBondContact O-N 3.37Å; V125-S129 PolarHBondContact O-N 3.25Å; V125-L134 HydrophobicContact CB-CD1 4.45Å; V125-L134 HydrophobicContact CG1-CB 4.33Å; V125-L134 HydrophobicContact CG1-CD1 4.06Å; V125-L137 HydrophobicContact CG1-CD1 4.14Å; V125-L217 HydrophobicContact CB-CD2 4.49Å; V125-L217 HydrophobicContact CG1-CD1 3.87Å; V125-L217 HydrophobicContact CG1-CD2 4.17Å; V125-L217 HydrophobicContact CG2-CD1 4.45Å; V125-L217 HydrophobicContact CG2-CD2 4.38Å; V125-V223 HydrophobicContact CG2-CG1 4.38Å; V125-V223 HydrophobicContact CG2-CG2 4.27Å
126T97.2Very high95.7Very high44 Ų4452.3 Ų52.327%0.2728%0.283SS..Hα-helixtrans-65.1-40.1175.6-63.50000111.8R122 E131 L134R122-T126 PolarHBondContact O-N 2.89Å; R122-T126 PolarHBondContact O-OG1 3.06Å; T126-E131 HydrophobicContact CG2-CB 4.16Å; T126-E131 PolarHBondContact OG1-OE2 3.5Å; T126-E131 VanDerWaalsContact OG1-OE2 3.13Å; T126-L134 WeakPolarHBondContact OG1-CD2 3.38Å
127K96.7Very high95.6Very high153 Ų15352.3 Ų52.367%0.66528%0.283SS*.Hα-helixtrans-67.2-43.6175.5-74.8163.5-179.7155.70113.2S123 A124 S129S123-K127 WeakPolarHBondContact O-CB 3.34Å; S123-K127 WeakPolarHBondContact O-CD 3.39Å; S123-K127 WeakPolarHBondContact O-CG 3.19Å; S123-K127 PolarHBondContact O-N 2.86Å; S123-K127 WeakPolarHBondContact OG-CE 3.2Å; S123-K127 PolarHBondContact OG-NZ 3.01Å; A124-K127 PolarHBondContact O-N 3.26Å; K127-S129 VanDerWaalsContact C-N 3.33Å
128S95.9Very high95.7Very high35 Ų3548.7 Ų48.725%0.24526%0.264CS..Hα-helixtrans-86.3-1.8-175.4-63.10000113.6A124 N220A124-S128 VanDerWaalsContact O-CB 3.28Å; A124-S128 WeakPolarHBondContact O-CB 3.38Å; A124-S128 PolarHBondContact O-N 3.49Å; A124-S128 PolarHBondContact O-OG 3.06Å; S128-N220 WeakPolarHBondContact CB-OD1 3.32Å; S128-N220 VanDerWaalsContact OG-CG 3.24Å; S128-N220 PolarHBondContact OG-ND2 2.87Å; S128-N220 PolarHBondContact OG-OD1 3.06Å
129S94.3Very high95.6Very high44 Ų4446.3 Ų46.331%0.30826%0.256SS..THydrogen-bonded Turntrans-150.3-87.8172.5-158.30000113.8V125 K127 N133V125-S129 PolarHBondContact O-N 3.25Å; K127-S129 VanDerWaalsContact C-N 3.33Å; S129-N133 PolarHBondContact OG-ND2 3.43Å
130S93.9Very high95.5Very high40 Ų4041.5 Ų41.528%0.2822%0.224SC..  trans-171.1158173.864.40000111.8N132 N133 L134S130-N132 VanDerWaalsContact C-N 3.27Å; S130-N132 PolarHBondContact O-N 2.87Å; S130-N133 PolarHBondContact O-N 3.34Å; S130-N133 VanDerWaalsContact O-N 3.11Å; S130-N133 VanDerWaalsContact OG-CG 3.27Å; S130-N133 PolarHBondContact OG-N 2.92Å; S130-N133 PolarHBondContact OG-ND2 3.49Å; S130-L134 PolarHBondContact O-N 2.93Å; S130-L134 VanDerWaalsContact O-N 3.08Å
131E93.7Very high95.4Very high80 Ų8039.9 Ų39.937%0.37421%0.209SC..Hα-helixtrans-58.7-36.2173.2-178.158.2-15900112.8T126 N133 L134 K135T126-E131 HydrophobicContact CG2-CB 4.16Å; T126-E131 PolarHBondContact OG1-OE2 3.5Å; T126-E131 VanDerWaalsContact OG1-OE2 3.13Å; E131-N133 VanDerWaalsContact C-N 3.32Å; E131-N133 PolarHBondContact O-N 3.04Å; E131-L134 PolarHBondContact O-N 3.22Å; E131-K135 WeakPolarHBondContact O-CG 3.29Å; E131-K135 PolarHBondContact O-N 3.05Å; E131-K135 VanDerWaalsContact OE1-CE 3.29Å; E131-K135 WeakPolarHBondContact OE1-CE 3.24Å
132N92.2Very high95.2Very high78 Ų7845.1 Ų45.142%0.41724%0.237SC..Hα-helixtrans-66.7-35.4176.6-72.42.6000111.6S130 K135 L136 F200S130-N132 VanDerWaalsContact C-N 3.27Å; S130-N132 PolarHBondContact O-N 2.87Å; N132-K135 PolarHBondContact O-N 3Å; N132-L136 PolarHBondContact O-N 2.88Å; N132-F200 HydrophobicContact CB-CE2 4.06Å; N132-F200 HydrophobicContact CB-CZ 3.91Å; N132-F200 WeakPolarHBondContact O-CE2 3.47Å; N132-F200 VanDerWaalsContact O-CZ 3.25Å; N132-F200 WeakPolarHBondContact O-CZ 3.29Å
133N93.8Very high95Very high33 Ų3343.6 Ų43.618%0.17623%0.234CC..Hα-helixtrans-72.2-31.3175.1-71.6-14000112.1S129 S130 E131 L136 L137 L213S129-N133 PolarHBondContact OG-ND2 3.43Å; S130-N133 PolarHBondContact O-N 3.34Å; S130-N133 VanDerWaalsContact O-N 3.11Å; S130-N133 VanDerWaalsContact OG-CG 3.27Å; S130-N133 PolarHBondContact OG-N 2.92Å; S130-N133 PolarHBondContact OG-ND2 3.49Å; E131-N133 VanDerWaalsContact C-N 3.32Å; E131-N133 PolarHBondContact O-N 3.04Å; N133-L136 PolarHBondContact O-N 3.26Å; N133-L137 VanDerWaalsContact O-CG 3.3Å; N133-L137 WeakPolarHBondContact O-CG 3.41Å; N133-L137 PolarHBondContact O-N 2.83Å; N133-L213 HydrophobicContact CB-CD1 4.42Å; N133-L213 HydrophobicContact CB-CD2 4.07Å
134L95.1Very high94.8Very high3 Ų341.6 Ų41.62%0.01622%0.219CC..Hα-helixtrans-63.3-47.6171.1-178.758.4000110.9L116 R122 V125 T126 S130 E131 L136 L137 D138L116-L134 HydrophobicContact CD2-CD1 4.24Å; R122-L134 HydrophobicContact CB-CD2 4.05Å; R122-L134 HydrophobicContact CG-CD2 4.47Å; V125-L134 HydrophobicContact CB-CD1 4.45Å; V125-L134 HydrophobicContact CG1-CB 4.33Å; V125-L134 HydrophobicContact CG1-CD1 4.06Å; T126-L134 WeakPolarHBondContact OG1-CD2 3.38Å; S130-L134 PolarHBondContact O-N 2.93Å; S130-L134 VanDerWaalsContact O-N 3.08Å; E131-L134 PolarHBondContact O-N 3.22Å; L134-L136 VanDerWaalsContact C-N 3.3Å; L134-L136 PolarHBondContact O-N 3.05Å; L134-L137 WeakPolarHBondContact O-CA 3.29Å; L134-L137 WeakPolarHBondContact O-CB 3.38Å; L134-L137 PolarHBondContact O-N 3.11Å; L134-D138 PolarHBondContact O-N 3.31Å
135K93.7Very high94.6Very high97 Ų9745.2 Ų45.242%0.42224%0.241SC..Hα-helixtrans-61.3-34.7175.5-67.5171.9-177.1173.80113.6E131 N132 A139 L197E131-K135 WeakPolarHBondContact O-CG 3.29Å; E131-K135 PolarHBondContact O-N 3.05Å; E131-K135 VanDerWaalsContact OE1-CE 3.29Å; E131-K135 WeakPolarHBondContact OE1-CE 3.24Å; N132-K135 PolarHBondContact O-N 3Å; K135-A139 WeakPolarHBondContact O-CB 3.37Å; K135-A139 PolarHBondContact O-N 3.07Å; K135-L197 HydrophobicContact CB-CD1 4.31Å
136L94Very high94.2Very high5 Ų549 Ų493%0.02627%0.266CS..Hα-helixtrans-63.5-42.6171.1175.468.4000111.4N132 N133 L134 A139 V140 L193 L197 F200 T205 I210 L213N132-L136 PolarHBondContact O-N 2.88Å; N133-L136 PolarHBondContact O-N 3.26Å; L134-L136 VanDerWaalsContact C-N 3.3Å; L134-L136 PolarHBondContact O-N 3.05Å; L136-A139 PolarHBondContact O-N 2.83Å; L136-V140 HydrophobicContact CD1-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CB 3.29Å; L136-V140 WeakPolarHBondContact O-CG2 3.37Å; L136-V140 PolarHBondContact O-N 2.88Å; L136-L193 HydrophobicContact CD1-CD1 3.66Å; L136-L193 HydrophobicContact CD1-CD2 3.99Å; L136-L193 HydrophobicContact CD1-CG 4.49Å; L136-L197 HydrophobicContact CB-CD2 4.31Å; L136-L197 HydrophobicContact CD1-CD2 4.17Å; L136-F200 HydrophobicContact CB-CE1 4.16Å; L136-F200 HydrophobicContact CB-CE2 4.25Å; L136-F200 HydrophobicContact CB-CZ 3.99Å; L136-F200 HydrophobicContact CD1-CD1 4.21Å; L136-F200 HydrophobicContact CD1-CG 4.21Å; L136-F200 HydrophobicContact CD2-CD1 3.82Å; L136-F200 HydrophobicContact CD2-CE1 3.69Å; L136-F200 HydrophobicContact CD2-CZ 4.36Å; L136-F200 HydrophobicContact CG-CD1 4.41Å; L136-F200 HydrophobicContact CG-CE1 4.37Å; L136-T205 HydrophobicContact CD1-CG2 4.39Å; L136-T205 HydrophobicContact CD2-CG2 4.04Å; L136-I210 HydrophobicContact CD1-CD1 4.42Å; L136-I210 HydrophobicContact CD2-CG1 3.96Å; L136-I210 HydrophobicContact CG-CG1 4.34Å; L136-L213 HydrophobicContact CD2-CD2 4.19Å
137L95.9Very high93.7Very high0 Ų049.4 Ų49.40%027%0.269CS..Hα-helixtrans-68.6-38.2178.8-69.6168.8000112.2F112 F113 L116 V125 N133 L134 V140 R141 I210 L213 C214 L217F112-L137 HydrophobicContact CE1-CD1 3.98Å; F112-L137 HydrophobicContact CE1-CD2 4.2Å; F112-L137 HydrophobicContact CZ-CD1 4.05Å; F113-L137 HydrophobicContact CE1-CB 4.45Å; F113-L137 HydrophobicContact CE1-CD2 3.94Å; F113-L137 HydrophobicContact CZ-CD2 4.46Å; L116-L137 HydrophobicContact CD1-CB 3.79Å; V125-L137 HydrophobicContact CG1-CD1 4.14Å; N133-L137 VanDerWaalsContact O-CG 3.3Å; N133-L137 WeakPolarHBondContact O-CG 3.41Å; N133-L137 PolarHBondContact O-N 2.83Å; L134-L137 WeakPolarHBondContact O-CA 3.29Å; L134-L137 WeakPolarHBondContact O-CB 3.38Å; L134-L137 PolarHBondContact O-N 3.11Å; L137-V140 PolarHBondContact O-N 2.96Å; L137-R141 WeakPolarHBondContact O-CB 3.28Å; L137-R141 PolarHBondContact O-N 2.97Å; L137-I210 HydrophobicContact CD2-CG2 4.23Å; L137-L213 HydrophobicContact CD1-CD2 4.35Å; L137-L213 HydrophobicContact CD2-CD2 4.15Å; L137-L213 HydrophobicContact CG-CD2 4.14Å; L137-C214 WeakPolarHBondContact CD2-SG 3.43Å; L137-L217 HydrophobicContact CD1-CD1 3.64Å
138D95.5Very high93.1Very high29 Ų2948.4 Ų48.416%0.15528%0.275CS..Hα-helixtrans-60-51.9171.5-62.3-42.4000110.5R122 L134 V140 R141 D142R122-D138 IonicContact CZ-OD1 3.51Å; R122-D138 IonicContact CZ-OD2 3.63Å; R122-D138 IonicContact NH1-OD1 2.75Å; R122-D138 PolarHBondContact NH1-OD1 2.87Å; R122-D138 IonicContact NH1-OD2 3.65Å; R122-D138 IonicContact NH2-OD1 3.35Å; R122-D138 PolarHBondContact NH2-OD1 3.4Å; R122-D138 IonicContact NH2-OD2 2.7Å; R122-D138 PolarHBondContact NH2-OD2 3.15Å; L134-D138 PolarHBondContact O-N 3.31Å; D138-V140 VanDerWaalsContact C-N 3.27Å; D138-V140 PolarHBondContact O-N 3.27Å; D138-R141 WeakPolarHBondContact O-CB 3.35Å; D138-R141 PolarHBondContact O-N 3.32Å; D138-D142 PolarHBondContact O-N 2.9Å
139A94.1Very high92.6Very high28 Ų2848.6 Ų48.623%0.23128%0.275CS..Hα-helixtrans-62.2-31178.900000113.5K135 L136 I143 L193 L197K135-A139 WeakPolarHBondContact O-CB 3.37Å; K135-A139 PolarHBondContact O-N 3.07Å; L136-A139 PolarHBondContact O-N 2.83Å; A139-I143 WeakPolarHBondContact O-CD1 3.38Å; A139-I143 WeakPolarHBondContact O-CG1 3.3Å; A139-I143 PolarHBondContact O-N 3.12Å; A139-L193 HydrophobicContact CB-CD2 4.12Å; A139-L197 HydrophobicContact CB-CD2 4.4Å
140V94.8Very high91.8Very high0 Ų052 Ų520%029%0.29CS..Hα-helixtrans-72.7-41.1172.4168.70000111.1F113 L136 L137 D138 D142 I143 L144 L183 V191 I210F113-V140 HydrophobicContact CE1-CB 4.49Å; F113-V140 HydrophobicContact CE1-CG1 4.11Å; F113-V140 HydrophobicContact CZ-CG1 3.81Å; L136-V140 HydrophobicContact CD1-CG2 4.34Å; L136-V140 WeakPolarHBondContact O-CB 3.29Å; L136-V140 WeakPolarHBondContact O-CG2 3.37Å; L136-V140 PolarHBondContact O-N 2.88Å; L137-V140 PolarHBondContact O-N 2.96Å; D138-V140 VanDerWaalsContact C-N 3.27Å; D138-V140 PolarHBondContact O-N 3.27Å; V140-D142 VanDerWaalsContact C-N 3.27Å; V140-D142 PolarHBondContact O-N 2.88Å; V140-I143 WeakPolarHBondContact O-CB 3.32Å; V140-I143 PolarHBondContact O-N 3.12Å; V140-I143 VanDerWaalsContact O-N 3.13Å; V140-L144 HydrophobicContact CG1-CD1 3.69Å; V140-L144 HydrophobicContact CG1-CG 4.24Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.21Å; V140-L144 PolarHBondContact O-N 2.77Å; V140-L183 HydrophobicContact CG1-CD2 4.4Å; V140-V191 HydrophobicContact CG2-CG1 4.26Å; V140-I210 HydrophobicContact CG1-CG2 4.15Å; V140-I210 HydrophobicContact CG2-CD1 3.58Å; V140-I210 HydrophobicContact CG2-CG1 4.22Å; V140-I210 HydrophobicContact CG2-CG2 4.21Å
141R95.4Very high91.3Very high47 Ų4757.1 Ų57.118%0.17731%0.314CS..Hα-helixtrans-58.9-41.1175.6-175.7175.975.1161.210.7111.4F113 D117 L137 D138 I143 L144 T145F113-R141 HydrophobicContact CB-CG 4.09Å; F113-R141 HydrophobicContact CD1-CB 3.91Å; F113-R141 HydrophobicContact CD1-CG 4.39Å; F113-R141 HydrophobicContact CG-CB 4.44Å; F113-R141 HydrophobicContact CG-CG 4.48Å; F113-R141 VanDerWaalsContact O-CD 3.32Å; F113-R141 WeakPolarHBondContact O-CD 3.37Å; F113-R141 PolarHBondContact O-NH1 3.14Å; F113-R141 VanDerWaalsContact O-NH1 3.14Å; D117-R141 IonicContact OD1-CZ 3.4Å; D117-R141 VanDerWaalsContact OD1-CZ 3.3Å; D117-R141 IonicContact OD1-NH1 2.81Å; D117-R141 PolarHBondContact OD1-NH1 3.46Å; D117-R141 IonicContact OD1-NH2 3.32Å; D117-R141 PolarHBondContact OD1-NH2 3.48Å; D117-R141 IonicContact OD2-CZ 2.68Å; D117-R141 IonicContact OD2-NH1 3.92Å; D117-R141 PolarHBondContact OD2-NH1 2.97Å; D117-R141 IonicContact OD2-NH2 3.94Å; L137-R141 WeakPolarHBondContact O-CB 3.28Å; L137-R141 PolarHBondContact O-N 2.97Å; D138-R141 WeakPolarHBondContact O-CB 3.35Å; D138-R141 PolarHBondContact O-N 3.32Å; R141-I143 VanDerWaalsContact C-N 3.29Å; R141-I143 PolarHBondContact O-N 3.26Å; R141-L144 PolarHBondContact O-N 2.88Å; R141-L144 VanDerWaalsContact O-N 3.16Å; R141-T145 WeakPolarHBondContact O-CB 3.47Å; R141-T145 PolarHBondContact O-N 3.16Å; R141-T145 PolarHBondContact O-OG1 2.95Å
142D93.5Very high90.9Very high111 Ų11158.9 Ų58.959%0.59432%0.317SS*.Hα-helixtrans-64.5-32.9177.4-63.5-14.9000112.2D138 V140D138-D142 PolarHBondContact O-N 2.9Å; V140-D142 VanDerWaalsContact C-N 3.27Å; V140-D142 PolarHBondContact O-N 2.88Å
143I93.5Very high90.4Very high37 Ų3757.1 Ų57.119%0.1931%0.31CS..Hα-helixtrans-74-29.1174.4-67.9164.3000112.4A139 V140 R141 V191 P192 L193A139-I143 WeakPolarHBondContact O-CD1 3.38Å; A139-I143 WeakPolarHBondContact O-CG1 3.3Å; A139-I143 PolarHBondContact O-N 3.12Å; V140-I143 WeakPolarHBondContact O-CB 3.32Å; V140-I143 PolarHBondContact O-N 3.12Å; V140-I143 VanDerWaalsContact O-N 3.13Å; R141-I143 VanDerWaalsContact C-N 3.29Å; R141-I143 PolarHBondContact O-N 3.26Å; I143-V191 HydrophobicContact CD1-CG1 3.75Å; I143-P192 HydrophobicContact CD1-CG 4.24Å; I143-L193 HydrophobicContact CD1-CD2 4.35Å
144L94.1Very high89.9Confident7 Ų756.8 Ų56.84%0.03731%0.314CS..Hα-helixtrans-88.7-21.2180-66.1170.2000113.6F113 V140 R141 P146 V176 L183F113-L144 HydrophobicContact CD2-CD1 4.05Å; F113-L144 HydrophobicContact CE2-CD1 3.55Å; F113-L144 HydrophobicContact CZ-CD1 3.89Å; V140-L144 HydrophobicContact CG1-CD1 3.69Å; V140-L144 HydrophobicContact CG1-CG 4.24Å; V140-L144 VanDerWaalsContact O-CG 3.29Å; V140-L144 WeakPolarHBondContact O-CG 3.21Å; V140-L144 PolarHBondContact O-N 2.77Å; R141-L144 PolarHBondContact O-N 2.88Å; R141-L144 VanDerWaalsContact O-N 3.16Å; L144-P146 WeakPolarHBondContact O-CD 3.32Å; L144-V176 WeakPolarHBondContact O-CG1 3.44Å; L144-L183 HydrophobicContact CD1-CD2 3.59Å
145T92.5Very high89.4Confident79 Ų7962.8 Ų62.849%0.48535%0.351SS..SBendtrans-69.9116.9-178.3-62.60000109.4R141R141-T145 WeakPolarHBondContact O-CB 3.47Å; R141-T145 PolarHBondContact O-N 3.16Å; R141-T145 PolarHBondContact O-OG1 2.95Å
146P88.3Confident89Confident80 Ų8061 Ų6152%0.51935%0.351SS..PPolyproline II helixtrans-67.3139.7178.927.8-33.9000110.4L144 L173 V176L144-P146 WeakPolarHBondContact O-CD 3.32Å; P146-L173 HydrophobicContact CB-CD2 4.34Å; P146-V176 HydrophobicContact CB-CG1 4.42Å
147P86.7Confident88.5Confident52 Ų5266 Ų6634%0.33839%0.386SS..PPolyproline II helixtrans-60.6151.7171.826.8-35000110.5V149 D172 L173P147-V149 WeakPolarHBondContact O-CG2 3.29Å; P147-V149 PolarHBondContact O-N 3.02Å; P147-D172 HydrophobicContact CG-CB 4.28Å; P147-D172 WeakPolarHBondContact CG-OD2 3.4Å; P147-L173 HydrophobicContact CG-CD2 4.05Å
148V85.2Confident87.8Confident131 Ų13170.3 Ų70.379%0.79442%0.416SS*.PPolyproline II helixtrans-56.8125.9178.4-1800000109.9D150V148-D150 PolarHBondContact O-N 3.09Å
149V84.1Confident87.2Confident40 Ų4069.5 Ų69.524%0.24241%0.413CS..  trans-98.492-174.4-179.50000110.7P147 W152 F166 L173P147-V149 WeakPolarHBondContact O-CG2 3.29Å; P147-V149 PolarHBondContact O-N 3.02Å; V149-W152 HydrophobicContact CG1-CB 4.22Å; V149-W152 HydrophobicContact CG1-CE3 4.03Å; V149-F166 HydrophobicContact CG1-CE1 3.68Å; V149-F166 HydrophobicContact CG1-CZ 3.53Å; V149-L173 HydrophobicContact CG2-CD1 3.98Å; V149-L173 HydrophobicContact CG2-CD2 3.85Å; V149-L173 HydrophobicContact CG2-CG 4.49Å
150D78.4Confident86.8Confident116 Ų11672.5 Ų72.562%0.6243%0.425SS*.THydrogen-bonded Turntrans-57.6143.4159.7-64.6-39.8000110.3V148 W152V148-D150 PolarHBondContact O-N 3.09Å; D150-W152 PolarHBondContact O-N 3.1Å
151N82.1Confident86.3Confident146 Ų14677 Ų7778%0.78146%0.456SS*.THydrogen-bonded Turntrans58.637176.7-50.4-54.8000115F166N151-F166 VanDerWaalsContact O-CE2 3.27Å; N151-F166 WeakPolarHBondContact O-CE2 3.46Å
152W86.1Confident85.9Confident118 Ų11877 Ų7745%0.44746%0.463SS..  trans-53133167.1-179.2-101.7000110.5V149 D150 G154 V163 F166 L167V149-W152 HydrophobicContact CG1-CB 4.22Å; V149-W152 HydrophobicContact CG1-CE3 4.03Å; D150-W152 PolarHBondContact O-N 3.1Å; W152-G154 VanDerWaalsContact CD1-N 3.29Å; W152-G154 PolarHBondContact NE1-O 2.87Å; W152-G154 PolarHBondContact O-N 3.32Å; W152-V163 HydrophobicContact CH2-CG1 3.62Å; W152-V163 HydrophobicContact CH2-CG2 4.28Å; W152-V163 HydrophobicContact CZ2-CG1 4Å; W152-V163 HydrophobicContact CZ2-CG2 3.91Å; W152-V163 HydrophobicContact CZ3-CG1 4.46Å; W152-F166 HydrophobicContact CE3-CD1 4.38Å; W152-F166 AromaticContact CE3-CE1 3.91Å; W152-F166 HydrophobicContact CE3-CE1 3.91Å; W152-F166 HydrophobicContact CZ3-CD1 4.33Å; W152-F166 HydrophobicContact CZ3-CE1 4.18Å; W152-L167 HydrophobicContact CH2-CD2 4.5Å; W152-L167 HydrophobicContact CZ3-CD2 4.08Å
153P81.9Confident85.6Confident41 Ų4172.4 Ų72.427%0.26644%0.439SS..  trans-60-18.3-171.5-28.836.6000116.3A159 S162 V163 F166P153-A159 HydrophobicContact CB-CB 4.35Å; P153-A159 WeakPolarHBondContact O-CB 3.36Å; P153-S162 WeakPolarHBondContact CB-OG 3.39Å; P153-V163 HydrophobicContact CB-CG2 4.16Å; P153-V163 HydrophobicContact CG-CG2 4.02Å; P153-F166 HydrophobicContact CG-CB 3.94Å; P153-F166 HydrophobicContact CG-CD1 4.24Å; P153-F166 HydrophobicContact CG-CD2 3.89Å; P153-F166 HydrophobicContact CG-CE2 4.45Å; P153-F166 HydrophobicContact CG-CG 3.76Å
154G83.5Confident85.4Confident25 Ų2573.6 Ų73.626%0.25845%0.449SS..  trans113.9-169.5-177.200000112.5W152W152-G154 VanDerWaalsContact CD1-N 3.29Å; W152-G154 PolarHBondContact NE1-O 2.87Å; W152-G154 PolarHBondContact O-N 3.32Å
155V84.8Confident85.1Confident130 Ų13078.1 Ų78.179%0.78847%0.474SS*.SBendtrans-124.37.6-176.7-61.70000113.6
156S85.1Confident84.9Confident60 Ų6076.6 Ų76.642%0.4246%0.46SS..SBendtrans-74154172.164.40000111.1S158 A159 L160S156-S158 PolarHBondContact O-N 2.96Å; S156-S158 PolarHBondContact OG-OG 3.34Å; S156-S158 VanDerWaalsContact OG-OG 3.13Å; S156-A159 WeakPolarHBondContact O-CA 3.31Å; S156-A159 WeakPolarHBondContact O-CB 3.37Å; S156-A159 PolarHBondContact O-N 3.08Å; S156-A159 VanDerWaalsContact OG-CB 3.27Å; S156-A159 WeakPolarHBondContact OG-CB 3.34Å; S156-A159 PolarHBondContact OG-N 3Å; S156-A159 VanDerWaalsContact OG-N 3.17Å; S156-L160 WeakPolarHBondContact O-CG 3.3Å; S156-L160 PolarHBondContact O-N 2.89Å
157S82Confident84.9Confident110 Ų11076.1 Ų76.177%0.76945%0.453SS*.Hα-helixtrans-53.9-39.7176.2178.80000112.6L160 S161S157-L160 PolarHBondContact O-N 2.85Å; S157-S161 PolarHBondContact O-N 3.49Å
158S82.3Confident84.9Confident90 Ų9082.6 Ų82.663%0.62947%0.471SS*.Hα-helixtrans-64.3-41.9173.751.10000113.1S156 S161S156-S158 PolarHBondContact O-N 2.96Å; S156-S158 PolarHBondContact OG-OG 3.34Å; S156-S158 VanDerWaalsContact OG-OG 3.13Å; S158-S161 PolarHBondContact O-N 3.2Å; S158-S161 PolarHBondContact O-OG 3.47Å
159A82.5Confident85Confident11 Ų1180.4 Ų80.49%0.09147%0.467CS..Hα-helixtrans-63.6-43.9175.400000112.3P153 S156 S161 S162 V163P153-A159 HydrophobicContact CB-CB 4.35Å; P153-A159 WeakPolarHBondContact O-CB 3.36Å; S156-A159 WeakPolarHBondContact O-CA 3.31Å; S156-A159 WeakPolarHBondContact O-CB 3.37Å; S156-A159 PolarHBondContact O-N 3.08Å; S156-A159 VanDerWaalsContact OG-CB 3.27Å; S156-A159 WeakPolarHBondContact OG-CB 3.34Å; S156-A159 PolarHBondContact OG-N 3Å; S156-A159 VanDerWaalsContact OG-N 3.17Å; A159-S161 PolarHBondContact O-N 3.49Å; A159-S162 WeakPolarHBondContact O-CB 3.49Å; A159-S162 PolarHBondContact O-N 3.41Å; A159-S162 PolarHBondContact O-OG 2.71Å; A159-V163 PolarHBondContact O-N 2.87Å
160L86.1Confident85.2Confident92 Ų9281.1 Ų81.148%0.48247%0.465SS..Hα-helixtrans-58.5-32.1-179.1-68.1175.7000112.5S156 S157 S162 V163 P164S156-L160 WeakPolarHBondContact O-CG 3.3Å; S156-L160 PolarHBondContact O-N 2.89Å; S157-L160 PolarHBondContact O-N 2.85Å; L160-S162 PolarHBondContact O-N 2.89Å; L160-V163 HydrophobicContact CD2-CG2 4.3Å; L160-V163 PolarHBondContact O-N 3.21Å; L160-P164 WeakPolarHBondContact O-CD 3.32Å
161S85.2Confident85.8Confident93 Ų9380.7 Ų80.765%0.6546%0.459SS*.THydrogen-bonded Turntrans-59.2-25.9173.8780000114.1S157 S158 A159S157-S161 PolarHBondContact O-N 3.49Å; S158-S161 PolarHBondContact O-N 3.2Å; S158-S161 PolarHBondContact O-OG 3.47Å; A159-S161 PolarHBondContact O-N 3.49Å
162S85.9Confident86Confident47 Ų4776.3 Ų76.333%0.32944%0.436SS..THydrogen-bonded Turntrans-90.2-21.217975.10000114P153 A159 L160 N165 F166P153-S162 WeakPolarHBondContact CB-OG 3.39Å; A159-S162 WeakPolarHBondContact O-CB 3.49Å; A159-S162 PolarHBondContact O-N 3.41Å; A159-S162 PolarHBondContact O-OG 2.71Å; L160-S162 PolarHBondContact O-N 2.89Å; S162-N165 PolarHBondContact O-N 2.79Å; S162-F166 PolarHBondContact O-N 2.82Å
163V88Confident86.3Confident15 Ų1571.5 Ų71.59%0.09142%0.419CS..Hα-helixtrans-55.8-42.8-174.9171.50000113W152 P153 A159 L160 N165 F166 L167W152-V163 HydrophobicContact CH2-CG1 3.62Å; W152-V163 HydrophobicContact CH2-CG2 4.28Å; W152-V163 HydrophobicContact CZ2-CG1 4Å; W152-V163 HydrophobicContact CZ2-CG2 3.91Å; W152-V163 HydrophobicContact CZ3-CG1 4.46Å; P153-V163 HydrophobicContact CB-CG2 4.16Å; P153-V163 HydrophobicContact CG-CG2 4.02Å; A159-V163 PolarHBondContact O-N 2.87Å; L160-V163 HydrophobicContact CD2-CG2 4.3Å; L160-V163 PolarHBondContact O-N 3.21Å; V163-N165 PolarHBondContact O-N 3.38Å; V163-F166 PolarHBondContact O-N 3.14Å; V163-L167 HydrophobicContact CG1-CD1 3.69Å; V163-L167 HydrophobicContact CG1-CG 3.98Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 2.84Å
164P88.1Confident86.7Confident62 Ų6274.2 Ų74.240%0.40343%0.427SS..Hα-helixtrans-60.1-29.4176.6-26.135.7000114.2L160 R168L160-P164 WeakPolarHBondContact O-CD 3.32Å; P164-R168 WeakPolarHBondContact O-CB 3.31Å; P164-R168 VanDerWaalsContact O-CD 3.22Å; P164-R168 WeakPolarHBondContact O-CD 3.42Å; P164-R168 WeakPolarHBondContact O-CG 3.46Å; P164-R168 PolarHBondContact O-N 2.65Å
165N88Confident87Confident103 Ų10376.6 Ų76.655%0.55144%0.437SS*.Hα-helixtrans-83.9-38.4177.4-65.4-30.2000111.4S162 V163 R168 A169S162-N165 PolarHBondContact O-N 2.79Å; V163-N165 PolarHBondContact O-N 3.38Å; N165-R168 PolarHBondContact O-N 3.35Å; N165-A169 PolarHBondContact O-N 3.47Å; N165-A169 VanDerWaalsContact O-N 3.13Å
166F88.7Confident87.5Confident46 Ų4671.4 Ų71.420%0.20241%0.405CS..Hα-helixtrans-58.1-49.1172.4177.6-90.9000111.9V149 N151 W152 P153 S162 V163 R168 A169 R170 L173V149-F166 HydrophobicContact CG1-CE1 3.68Å; V149-F166 HydrophobicContact CG1-CZ 3.53Å; N151-F166 VanDerWaalsContact O-CE2 3.27Å; N151-F166 WeakPolarHBondContact O-CE2 3.46Å; W152-F166 HydrophobicContact CE3-CD1 4.38Å; W152-F166 AromaticContact CE3-CE1 3.91Å; W152-F166 HydrophobicContact CE3-CE1 3.91Å; W152-F166 HydrophobicContact CZ3-CD1 4.33Å; W152-F166 HydrophobicContact CZ3-CE1 4.18Å; P153-F166 HydrophobicContact CG-CB 3.94Å; P153-F166 HydrophobicContact CG-CD1 4.24Å; P153-F166 HydrophobicContact CG-CD2 3.89Å; P153-F166 HydrophobicContact CG-CE2 4.45Å; P153-F166 HydrophobicContact CG-CG 3.76Å; S162-F166 PolarHBondContact O-N 2.82Å; V163-F166 PolarHBondContact O-N 3.14Å; F166-R168 PolarHBondContact O-N 3.46Å; F166-A169 PolarHBondContact O-N 3.26Å; F166-R170 PolarHBondContact O-N 2.87Å; F166-L173 HydrophobicContact CE1-CD1 4.16Å
167L87.6Confident87.8Confident71 Ų7171.3 Ų71.337%0.37241%0.408SS..Hα-helixtrans-63.3-39178.1-68176000112.4W152 V163 A169 R170 L173W152-L167 HydrophobicContact CH2-CD2 4.5Å; W152-L167 HydrophobicContact CZ3-CD2 4.08Å; V163-L167 HydrophobicContact CG1-CD1 3.69Å; V163-L167 HydrophobicContact CG1-CG 3.98Å; V163-L167 WeakPolarHBondContact O-CB 3.34Å; V163-L167 WeakPolarHBondContact O-CG 3.29Å; V163-L167 PolarHBondContact O-N 2.84Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 3.19Å; L167-R170 PolarHBondContact O-N 3Å; L167-L173 HydrophobicContact CD2-CB 4.44Å; L167-L173 HydrophobicContact CD2-CD1 3.69Å
168R86.8Confident88.4Confident187 Ų18769.5 Ų69.571%0.70639%0.392SS*.Hα-helixtrans-67.5-24.9176.5-76.4169.5-176.1157.8-1.5113.8P164 N165 F166P164-R168 WeakPolarHBondContact O-CB 3.31Å; P164-R168 VanDerWaalsContact O-CD 3.22Å; P164-R168 WeakPolarHBondContact O-CD 3.42Å; P164-R168 WeakPolarHBondContact O-CG 3.46Å; P164-R168 PolarHBondContact O-N 2.65Å; N165-R168 PolarHBondContact O-N 3.35Å; F166-R168 PolarHBondContact O-N 3.46Å
169A88.4Confident89Confident86 Ų8665.9 Ų65.971%0.71137%0.367SS*.Hα-helixtrans-82.3-14.1178.300000113.4N165 F166 L167N165-A169 PolarHBondContact O-N 3.47Å; N165-A169 VanDerWaalsContact O-N 3.13Å; F166-A169 PolarHBondContact O-N 3.26Å; L167-A169 VanDerWaalsContact C-N 3.28Å; L167-A169 PolarHBondContact O-N 3.19Å
170R88.9Confident89.6Confident54 Ų5466 Ų6620%0.20437%0.366CS..  trans-10699.7-177-85.1-167.473.5152.1-6111.5F166 L167 D172 L173 K174F166-R170 PolarHBondContact O-N 2.87Å; L167-R170 PolarHBondContact O-N 3Å; R170-D172 VanDerWaalsContact CB-OD1 3.25Å; R170-D172 WeakPolarHBondContact CB-OD1 3.36Å; R170-D172 IonicContact CZ-OD1 2.81Å; R170-D172 IonicContact CZ-OD2 3.35Å; R170-D172 IonicContact NE-OD1 2.86Å; R170-D172 PolarHBondContact NE-OD1 3.02Å; R170-D172 VanDerWaalsContact NE-OD1 3.11Å; R170-D172 IonicContact NE-OD2 3.73Å; R170-D172 PolarHBondContact NE-OD2 3.33Å; R170-D172 IonicContact NH2-OD1 3.88Å; R170-D172 IonicContact NH2-OD2 3.3Å; R170-D172 PolarHBondContact NH2-OD2 3.41Å; R170-D172 PolarHBondContact O-N 3.43Å; R170-L173 HydrophobicContact CB-CB 4.04Å; R170-L173 HydrophobicContact CB-CD1 3.96Å; R170-L173 HydrophobicContact CB-CG 3.93Å; R170-L173 HydrophobicContact CG-CD1 4.42Å; R170-L173 PolarHBondContact O-N 3.31Å; R170-K174 WeakPolarHBondContact O-CB 3.2Å; R170-K174 PolarHBondContact O-N 3.16Å
171E89.6Confident90.1Very high107 Ų10766 Ų6650%0.536%0.362SS..Hα-helixtrans-62.7-30.6-179.7-169.558.7-141.600112.4K174 T175E171-K174 WeakPolarHBondContact O-CB 3.39Å; E171-K174 PolarHBondContact O-N 3.22Å; E171-K174 IonicContact OE1-NZ 2.65Å; E171-K174 PolarHBondContact OE1-NZ 3.4Å; E171-K174 IonicContact OE2-NZ 2.82Å; E171-K174 PolarHBondContact OE2-NZ 3.06Å; E171-T175 PolarHBondContact O-N 2.9Å; E171-T175 PolarHBondContact O-OG1 2.89Å
172D87.6Confident90.7Very high55 Ų5562.5 Ų62.529%0.29434%0.337SS..Hα-helixtrans-67.7-39.7175.364.6-44.1000112.9P147 R170 K174 T175 V176P147-D172 HydrophobicContact CG-CB 4.28Å; P147-D172 WeakPolarHBondContact CG-OD2 3.4Å; R170-D172 VanDerWaalsContact CB-OD1 3.25Å; R170-D172 WeakPolarHBondContact CB-OD1 3.36Å; R170-D172 IonicContact CZ-OD1 2.81Å; R170-D172 IonicContact CZ-OD2 3.35Å; R170-D172 IonicContact NE-OD1 2.86Å; R170-D172 PolarHBondContact NE-OD1 3.02Å; R170-D172 VanDerWaalsContact NE-OD1 3.11Å; R170-D172 IonicContact NE-OD2 3.73Å; R170-D172 PolarHBondContact NE-OD2 3.33Å; R170-D172 IonicContact NH2-OD1 3.88Å; R170-D172 IonicContact NH2-OD2 3.3Å; R170-D172 PolarHBondContact NH2-OD2 3.41Å; R170-D172 PolarHBondContact O-N 3.43Å; D172-K174 VanDerWaalsContact C-N 3.32Å; D172-T175 PolarHBondContact O-OG1 3.4Å; D172-V176 WeakPolarHBondContact O-CG2 3.45Å; D172-V176 PolarHBondContact O-N 2.97Å
173L90.5Very high91.2Very high17 Ų1760.2 Ų60.29%0.08932%0.321CS..Hα-helixtrans-72.3-29.8171.8-61.2-176.7000111.5P146 P147 V149 F166 L167 R170 A177P146-L173 HydrophobicContact CB-CD2 4.34Å; P147-L173 HydrophobicContact CG-CD2 4.05Å; V149-L173 HydrophobicContact CG2-CD1 3.98Å; V149-L173 HydrophobicContact CG2-CD2 3.85Å; V149-L173 HydrophobicContact CG2-CG 4.49Å; F166-L173 HydrophobicContact CE1-CD1 4.16Å; L167-L173 HydrophobicContact CD2-CB 4.44Å; L167-L173 HydrophobicContact CD2-CD1 3.69Å; R170-L173 HydrophobicContact CB-CB 4.04Å; R170-L173 HydrophobicContact CB-CD1 3.96Å; R170-L173 HydrophobicContact CB-CG 3.93Å; R170-L173 HydrophobicContact CG-CD1 4.42Å; R170-L173 PolarHBondContact O-N 3.31Å; L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 2.72Å
174K90.4Very high91.6Very high97 Ų9759.6 Ų59.642%0.42232%0.317SS..Hα-helixtrans-71.7-36.7177.4170.8165.6159.6-840112.9R170 E171 D172 T178R170-K174 WeakPolarHBondContact O-CB 3.2Å; R170-K174 PolarHBondContact O-N 3.16Å; E171-K174 WeakPolarHBondContact O-CB 3.39Å; E171-K174 PolarHBondContact O-N 3.22Å; E171-K174 IonicContact OE1-NZ 2.65Å; E171-K174 PolarHBondContact OE1-NZ 3.4Å; E171-K174 IonicContact OE2-NZ 2.82Å; E171-K174 PolarHBondContact OE2-NZ 3.06Å; D172-K174 VanDerWaalsContact C-N 3.32Å; K174-T178 VanDerWaalsContact O-CB 3.3Å; K174-T178 WeakPolarHBondContact O-CB 3.39Å; K174-T178 PolarHBondContact O-N 2.88Å; K174-T178 PolarHBondContact O-OG1 3.38Å
175T91.6Very high91.9Very high76 Ų7658.8 Ų58.847%0.46631%0.309SS..Hα-helixtrans-67.7-46.3173.251.90000111.5E171 D172 T178 S179E171-T175 PolarHBondContact O-N 2.9Å; E171-T175 PolarHBondContact O-OG1 2.89Å; D172-T175 PolarHBondContact O-OG1 3.4Å; T175-T178 PolarHBondContact O-N 3.04Å; T175-S179 PolarHBondContact O-N 3.39Å; T175-S179 PolarHBondContact O-OG 3.13Å; T175-S179 VanDerWaalsContact O-OG 3.06Å
176V93.4Very high92.2Very high20 Ų2054.4 Ų54.412%0.12129%0.288CS..Hα-helixtrans-58.2-53.6174.3174.40000110.8L144 P146 D172 T178 S179 T180L144-V176 WeakPolarHBondContact O-CG1 3.44Å; P146-V176 HydrophobicContact CB-CG1 4.42Å; D172-V176 WeakPolarHBondContact O-CG2 3.45Å; D172-V176 PolarHBondContact O-N 2.97Å; V176-T178 PolarHBondContact O-N 2.88Å; V176-S179 WeakPolarHBondContact O-CA 3.47Å; V176-S179 WeakPolarHBondContact O-CB 3.28Å; V176-S179 PolarHBondContact O-N 3.36Å; V176-T180 PolarHBondContact O-N 3.48Å; V176-T180 PolarHBondContact O-OG1 3.31Å; V176-T180 VanDerWaalsContact O-OG1 3.09Å
177A92.8Very high92.6Very high58 Ų5854.7 Ų54.748%0.47929%0.292SS..Hα-helixtrans-59.3-32.4179.200000113.3L173 F181L173-A177 WeakPolarHBondContact O-CB 3.49Å; L173-A177 PolarHBondContact O-N 2.72Å; A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 2.88Å
178T94.3Very high92.9Very high72 Ų7255.3 Ų55.344%0.44230%0.303SS..Hα-helixtrans-68.8-41173.7-59.70000111.4K174 T175 V176 F181 N182K174-T178 VanDerWaalsContact O-CB 3.3Å; K174-T178 WeakPolarHBondContact O-CB 3.39Å; K174-T178 PolarHBondContact O-N 2.88Å; K174-T178 PolarHBondContact O-OG1 3.38Å; T175-T178 PolarHBondContact O-N 3.04Å; V176-T178 PolarHBondContact O-N 2.88Å; T178-F181 PolarHBondContact O-N 3.5Å; T178-N182 WeakPolarHBondContact O-CB 3.38Å; T178-N182 VanDerWaalsContact O-CG 3.26Å; T178-N182 PolarHBondContact O-N 2.96Å; T178-N182 PolarHBondContact O-ND2 3.41Å
179S95.1Very high93.2Very high14 Ų1449.4 Ų49.410%0.09829%0.287CS..Hα-helixtrans-63.7-46.3174.7-58.40000111.7T175 V176 N182 L183 Y207T175-S179 PolarHBondContact O-N 3.39Å; T175-S179 PolarHBondContact O-OG 3.13Å; T175-S179 VanDerWaalsContact O-OG 3.06Å; V176-S179 WeakPolarHBondContact O-CA 3.47Å; V176-S179 WeakPolarHBondContact O-CB 3.28Å; V176-S179 PolarHBondContact O-N 3.36Å; S179-N182 PolarHBondContact O-N 3.04Å; S179-L183 PolarHBondContact O-N 3.32Å; S179-Y207 WeakPolarHBondContact CB-OH 3.49Å; S179-Y207 PolarHBondContact OG-OH 3Å; S179-Y207 VanDerWaalsContact OG-OH 3.12Å
180T95.8Very high93.4Very high13 Ų1349.1 Ų49.18%0.0828%0.278CS..Hα-helixtrans-59.5-49.1174-48.50000111.1V176 N182 L183 M184V176-T180 PolarHBondContact O-N 3.48Å; V176-T180 PolarHBondContact O-OG1 3.31Å; V176-T180 VanDerWaalsContact O-OG1 3.09Å; T180-N182 VanDerWaalsContact C-N 3.29Å; T180-N182 PolarHBondContact O-N 3.33Å; T180-L183 PolarHBondContact O-N 2.85Å; T180-L183 VanDerWaalsContact O-N 3.12Å; T180-M184 HydrophobicContact CG2-CE 3.86Å; T180-M184 HydrophobicContact CG2-CG 4.17Å; T180-M184 VanDerWaalsContact O-CG 3.32Å; T180-M184 WeakPolarHBondContact O-CG 3.35Å; T180-M184 PolarHBondContact O-N 3.23Å
181F95.5Very high93.6Very high92 Ų9247.2 Ų47.240%0.40427%0.272SS..Hα-helixtrans-58.1-40177.3177.8-90.9000112.6Y102 A177 T178 N185Y102-F181 HydrophobicContact CE2-CD2 4.12Å; A177-F181 WeakPolarHBondContact O-CB 3.39Å; A177-F181 PolarHBondContact O-N 2.88Å; T178-F181 PolarHBondContact O-N 3.5Å; F181-N185 WeakPolarHBondContact CD2-ND2 3.47Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.32Å; F181-N185 WeakPolarHBondContact CZ-ND2 3.42Å; F181-N185 WeakPolarHBondContact O-CB 3.11Å; F181-N185 PolarHBondContact O-N 3.36Å; F181-N185 VanDerWaalsContact O-N 3.14Å; F181-N185 PolarHBondContact O-ND2 3.46Å
182N97.1Very high93.6Very high20 Ų2046.3 Ų46.311%0.10728%0.276CS..Hα-helixtrans-66.5-40.3175.7-76.2-37.7000112.4T178 S179 T180 G186 N187 Y207T178-N182 WeakPolarHBondContact O-CB 3.38Å; T178-N182 VanDerWaalsContact O-CG 3.26Å; T178-N182 PolarHBondContact O-N 2.96Å; T178-N182 PolarHBondContact O-ND2 3.41Å; S179-N182 PolarHBondContact O-N 3.04Å; T180-N182 VanDerWaalsContact C-N 3.29Å; T180-N182 PolarHBondContact O-N 3.33Å; N182-G186 WeakPolarHBondContact O-CA 3.21Å; N182-G186 PolarHBondContact O-N 3.22Å; N182-N187 HydrophobicContact CB-CB 4.24Å; N182-N187 PolarHBondContact O-N 3.1Å; N182-N187 PolarHBondContact OD1-ND2 3.25Å; N182-Y207 HydrophobicContact CB-CD1 4.38Å; N182-Y207 HydrophobicContact CB-CD2 3.52Å; N182-Y207 HydrophobicContact CB-CE2 3.97Å; N182-Y207 HydrophobicContact CB-CG 3.75Å
183L97Very high93.5Very high0 Ų044.4 Ų44.40%027%0.265CS..Hα-helixtrans-68.3-48.2176.6-175.561.7000112.3L109 F113 V140 L144 S179 T180 N185 G186 Y207 I210 R211L109-L183 HydrophobicContact CD1-CD2 4.45Å; L109-L183 HydrophobicContact CD1-CG 4.27Å; F113-L183 HydrophobicContact CE2-CD2 3.63Å; F113-L183 HydrophobicContact CZ-CD2 3.84Å; V140-L183 HydrophobicContact CG1-CD2 4.4Å; L144-L183 HydrophobicContact CD1-CD2 3.59Å; S179-L183 PolarHBondContact O-N 3.32Å; T180-L183 PolarHBondContact O-N 2.85Å; T180-L183 VanDerWaalsContact O-N 3.12Å; L183-N185 PolarHBondContact O-N 2.57Å; L183-G186 PolarHBondContact O-N 3.28Å; L183-Y207 HydrophobicContact CB-CD1 3.96Å; L183-Y207 HydrophobicContact CD1-CD1 4.46Å; L183-Y207 WeakPolarHBondContact CD1-O 3.39Å; L183-I210 HydrophobicContact CD1-CB 4.17Å; L183-I210 HydrophobicContact CD1-CG2 3.92Å; L183-R211 HydrophobicContact CD1-CB 3.93Å; L183-R211 WeakPolarHBondContact O-CD 3.37Å
184M96.1Very high92.9Very high1 Ų147.8 Ų47.81%0.00529%0.29CS..Hα-helixtrans-65.6-38.5-176.5-60-43.6145.100112.3Y102 I105 H106 L109 T180 G186 R211Y102-M184 HydrophobicContact CD2-CB 3.97Å; Y102-M184 HydrophobicContact CE2-CB 3.5Å; Y102-M184 HydrophobicContact CE2-CG 4.14Å; I105-M184 HydrophobicContact CG2-CB 4.28Å; I105-M184 HydrophobicContact CG2-SD 3.92Å; H106-M184 HydrophobicContact CB-CG 4.24Å; H106-M184 HydrophobicContact CB-SD 4.21Å; L109-M184 HydrophobicContact CB-CE 4.09Å; L109-M184 HydrophobicContact CB-SD 4.18Å; L109-M184 HydrophobicContact CD1-CE 4.29Å; L109-M184 HydrophobicContact CD1-SD 3.78Å; L109-M184 HydrophobicContact CG-SD 4.4Å; T180-M184 HydrophobicContact CG2-CE 3.86Å; T180-M184 HydrophobicContact CG2-CG 4.17Å; T180-M184 VanDerWaalsContact O-CG 3.32Å; T180-M184 WeakPolarHBondContact O-CG 3.35Å; T180-M184 PolarHBondContact O-N 3.23Å; M184-G186 VanDerWaalsContact C-N 3.33Å; M184-R211 PolarHBondContact O-NE 2.98Å; M184-R211 PolarHBondContact O-NH1 3.13Å; M184-R211 PolarHBondContact O-NH2 3.1Å
185N94.9Very high91.8Very high45 Ų4548.2 Ų48.224%0.24130%0.297CS..Hα-helixtrans-78.4-16.1173.4-71.3-66.5000113.5Y98 F181 L183 R211Y98-N185 PolarHBondContact OH-OD1 3.48Å; F181-N185 WeakPolarHBondContact CD2-ND2 3.47Å; F181-N185 WeakPolarHBondContact CE2-ND2 3.32Å; F181-N185 WeakPolarHBondContact CZ-ND2 3.42Å; F181-N185 WeakPolarHBondContact O-CB 3.11Å; F181-N185 PolarHBondContact O-N 3.36Å; F181-N185 VanDerWaalsContact O-N 3.14Å; F181-N185 PolarHBondContact O-ND2 3.46Å; L183-N185 PolarHBondContact O-N 2.57Å; N185-R211 PolarHBondContact O-NH1 3.04Å
186G95Very high90.7Very high11 Ų1152.1 Ų52.111%0.11332%0.315CS..THydrogen-bonded Turntrans67.641.6-175.800000112.4N182 L183 M184 K208 R211N182-G186 WeakPolarHBondContact O-CA 3.21Å; N182-G186 PolarHBondContact O-N 3.22Å; L183-G186 PolarHBondContact O-N 3.28Å; M184-G186 VanDerWaalsContact C-N 3.33Å; G186-K208 VanDerWaalsContact O-CB 3.28Å; G186-K208 WeakPolarHBondContact O-CB 3.28Å; G186-K208 WeakPolarHBondContact O-CG 3.43Å; G186-R211 VanDerWaalsContact CA-CD 3.48Å
187N95.7Very high89.8Confident52 Ų5252.9 Ų52.928%0.27832%0.318SS..  trans-68.3137.9178.5-67.5-17.7000110N182 V189 K208N182-N187 HydrophobicContact CB-CB 4.24Å; N182-N187 PolarHBondContact O-N 3.1Å; N182-N187 PolarHBondContact OD1-ND2 3.25Å; N187-V189 HydrophobicContact CB-CG2 4.15Å; N187-V189 PolarHBondContact O-N 3.1Å; N187-K208 PolarHBondContact O-N 3.31Å; N187-K208 VanDerWaalsContact O-N 3.16Å
188S94.3Very high88.5Confident85 Ų8553.9 Ų53.959%0.59431%0.313SS*.  trans-75.842.3177.5-53.20000113.2
189V93.7Very high87.3Confident62 Ų6254.2 Ų54.238%0.37631%0.312SS..PPolyproline II helixtrans-91.4133.7176.5176.30000108.6N187 T206 Y207N187-V189 HydrophobicContact CB-CG2 4.15Å; N187-V189 PolarHBondContact O-N 3.1Å; V189-T206 CarbonylContact O-C 3.59Å; V189-T206 WeakPolarHBondContact O-CA 3.49Å; V189-T206 VanDerWaalsContact O-CB 3.3Å; V189-T206 WeakPolarHBondContact O-CB 3.43Å; V189-Y207 HydrophobicContact CB-CD2 4.11Å; V189-Y207 HydrophobicContact CG1-CD2 4.37Å; V189-Y207 HydrophobicContact CG1-CE2 4.4Å; V189-Y207 VanDerWaalsContact O-CD2 3.29Å; V189-Y207 WeakPolarHBondContact O-CD2 3.04Å; V189-Y207 PolarHBondContact O-N 3.29Å
190P93Very high85.9Confident80 Ų8054.3 Ų54.352%0.51931%0.311SS..BIsolated β-bridgetrans-60.6145.1175.5-23.534.3000112.6
191V92.3Very high84.2Confident15 Ų1558 Ų589%0.09132%0.323CS..PPolyproline II helixtrans-87.2135177-177.60000110.7V140 I143 L193 T205 Y207 I210V140-V191 HydrophobicContact CG2-CG1 4.26Å; I143-V191 HydrophobicContact CD1-CG1 3.75Å; V191-L193 HydrophobicContact CB-CD2 4.47Å; V191-L193 HydrophobicContact CB-CG 4.2Å; V191-L193 HydrophobicContact CG1-CD2 3.79Å; V191-L193 HydrophobicContact CG1-CG 3.98Å; V191-L193 PolarHBondContact O-N 3Å; V191-T205 PolarHBondContact N-O 3.46Å; V191-T205 VanDerWaalsContact N-O 3.14Å; V191-Y207 HydrophobicContact CG1-CE1 4.26Å; V191-Y207 HydrophobicContact CG2-CD1 3.7Å; V191-Y207 HydrophobicContact CG2-CD2 3.88Å; V191-Y207 HydrophobicContact CG2-CE1 3.74Å; V191-Y207 HydrophobicContact CG2-CE2 3.92Å; V191-Y207 HydrophobicContact CG2-CG 3.77Å; V191-I210 HydrophobicContact CB-CD1 4.23Å; V191-I210 HydrophobicContact CG2-CD1 3.37Å
192P90Very high82.7Confident88 Ų8860.2 Ų60.257%0.57133%0.333SS*.  trans-7770.8-179.232.8-36000111.8I143 Y207I143-P192 HydrophobicContact CD1-CG 4.24Å; P192-Y207 WeakPolarHBondContact CD-OH 3.28Å
193L85.4Confident81.5Confident14 Ų1466.2 Ų66.27%0.07336%0.358CS..  trans-78.8138.9-178.6-61.8171.7000112.6L136 A139 I143 V191 L197 F200 R201L136-L193 HydrophobicContact CD1-CD1 3.66Å; L136-L193 HydrophobicContact CD1-CD2 3.99Å; L136-L193 HydrophobicContact CD1-CG 4.49Å; A139-L193 HydrophobicContact CB-CD2 4.12Å; I143-L193 HydrophobicContact CD1-CD2 4.35Å; V191-L193 HydrophobicContact CB-CD2 4.47Å; V191-L193 HydrophobicContact CB-CG 4.2Å; V191-L193 HydrophobicContact CG1-CD2 3.79Å; V191-L193 HydrophobicContact CG1-CG 3.98Å; V191-L193 PolarHBondContact O-N 3Å; L193-L197 HydrophobicContact CD1-CD2 4.42Å; L193-F200 HydrophobicContact CD1-CB 3.8Å; L193-R201 PolarHBondContact O-NH1 3.19Å
194S77.7Confident80.7Confident88 Ų8873 Ų7362%0.61539%0.39SS*.  trans-57.4157.6173.2-62.90000113.2D196 L197S194-D196 PolarHBondContact O-N 3.21Å; S194-L197 PolarHBondContact O-N 3.38Å
195N66.8Low80.5Confident107 Ų10773.8 Ų73.857%0.57240%0.395SS*.G310 helixtrans-56.7-34.8-174.7-67.3-23.5000113.6L197 E198 R201N195-L197 PolarHBondContact O-N 2.98Å; N195-E198 VanDerWaalsContact O-CG 3.31Å; N195-E198 WeakPolarHBondContact O-CG 3.24Å; N195-E198 PolarHBondContact O-N 3.16Å; N195-R201 VanDerWaalsContact OD1-CZ 3.26Å; N195-R201 PolarHBondContact OD1-NH1 2.85Å; N195-R201 PolarHBondContact OD1-NH2 2.63Å
196D68.9Low80.5Confident157 Ų15772.5 Ų72.584%0.8439%0.388SS*.G310 helixtrans-66.4-7.3-174.7-50.5-42.5000114.1S194S194-D196 PolarHBondContact O-N 3.21Å
197L74.7Confident80.5Confident36 Ų3672.2 Ų72.219%0.18838%0.384CS..G310 helixtrans-108.733.4-179.7-124.577.3000113.9K135 L136 A139 L193 S194 N195 D199 F200K135-L197 HydrophobicContact CB-CD1 4.31Å; L136-L197 HydrophobicContact CB-CD2 4.31Å; L136-L197 HydrophobicContact CD1-CD2 4.17Å; A139-L197 HydrophobicContact CB-CD2 4.4Å; L193-L197 HydrophobicContact CD1-CD2 4.42Å; S194-L197 PolarHBondContact O-N 3.38Å; N195-L197 PolarHBondContact O-N 2.98Å; L197-D199 PolarHBondContact O-N 3.11Å; L197-F200 HydrophobicContact CD2-CD2 3.66Å; L197-F200 HydrophobicContact CD2-CE2 4.1Å; L197-F200 HydrophobicContact CD2-CG 4.41Å; L197-F200 HydrophobicContact CG-CD2 3.77Å; L197-F200 HydrophobicContact CG-CE2 4.25Å; L197-F200 PolarHBondContact O-N 3Å
198E64.5Low80.6Confident80 Ų8074.3 Ų74.337%0.37439%0.39SS..Hα-helixtrans-48.7-32.5-174.3-71.1-58-176.400115.7N195 F200 R201 K202N195-E198 VanDerWaalsContact O-CG 3.31Å; N195-E198 WeakPolarHBondContact O-CG 3.24Å; N195-E198 PolarHBondContact O-N 3.16Å; E198-F200 PolarHBondContact O-N 2.97Å; E198-F200 VanDerWaalsContact O-N 3.16Å; E198-R201 VanDerWaalsContact CD-NH2 3.27Å; E198-R201 PolarHBondContact O-N 3.31Å; E198-R201 VanDerWaalsContact O-N 3.11Å; E198-R201 IonicContact OE1-CZ 3.25Å; E198-R201 IonicContact OE1-NE 2.84Å; E198-R201 IonicContact OE1-NH2 3.94Å; E198-R201 PolarHBondContact OE1-NH2 3.16Å; E198-R201 IonicContact OE2-CZ 2.7Å; E198-R201 IonicContact OE2-NE 2.68Å; E198-R201 PolarHBondContact OE2-NE 3.48Å; E198-R201 IonicContact OE2-NH2 2.97Å; E198-R201 PolarHBondContact OE2-NH2 3.36Å; E198-K202 WeakPolarHBondContact O-CG 3.47Å; E198-K202 PolarHBondContact O-N 3.37Å
199D69.1Low80.6Confident79 Ų7973.8 Ų73.842%0.42238%0.381SS..Hα-helixtrans-66.4-14.4-178.7-75.5-7.6000114.5L197 K202 K203L197-D199 PolarHBondContact O-N 3.11Å; D199-K202 IonicContact OD1-NZ 3.11Å; D199-K202 PolarHBondContact OD1-NZ 3.49Å; D199-K203 VanDerWaalsContact O-CD 3.24Å; D199-K203 WeakPolarHBondContact O-CD 3.43Å; D199-K203 VanDerWaalsContact O-CE 3.28Å; D199-K203 WeakPolarHBondContact O-CE 3.25Å; D199-K203 WeakPolarHBondContact O-CG 3.4Å
200F66.3Low80.7Confident16 Ų1670.9 Ų70.97%0.0736%0.363CS..Hα-helixtrans-97-31.8170.3-65.9-83.5000112.2N132 L136 L193 L197 E198 K202 K203 H204 T205N132-F200 HydrophobicContact CB-CE2 4.06Å; N132-F200 HydrophobicContact CB-CZ 3.91Å; N132-F200 WeakPolarHBondContact O-CE2 3.47Å; N132-F200 VanDerWaalsContact O-CZ 3.25Å; N132-F200 WeakPolarHBondContact O-CZ 3.29Å; L136-F200 HydrophobicContact CB-CE1 4.16Å; L136-F200 HydrophobicContact CB-CE2 4.25Å; L136-F200 HydrophobicContact CB-CZ 3.99Å; L136-F200 HydrophobicContact CD1-CD1 4.21Å; L136-F200 HydrophobicContact CD1-CG 4.21Å; L136-F200 HydrophobicContact CD2-CD1 3.82Å; L136-F200 HydrophobicContact CD2-CE1 3.69Å; L136-F200 HydrophobicContact CD2-CZ 4.36Å; L136-F200 HydrophobicContact CG-CD1 4.41Å; L136-F200 HydrophobicContact CG-CE1 4.37Å; L193-F200 HydrophobicContact CD1-CB 3.8Å; L197-F200 HydrophobicContact CD2-CD2 3.66Å; L197-F200 HydrophobicContact CD2-CE2 4.1Å; L197-F200 HydrophobicContact CD2-CG 4.41Å; L197-F200 HydrophobicContact CG-CD2 3.77Å; L197-F200 HydrophobicContact CG-CE2 4.25Å; L197-F200 PolarHBondContact O-N 3Å; E198-F200 PolarHBondContact O-N 2.97Å; E198-F200 VanDerWaalsContact O-N 3.16Å; F200-K202 PolarHBondContact O-N 3.18Å; F200-K203 CarbonylContact O-C 3.52Å; F200-K203 WeakPolarHBondContact O-CA 3.3Å; F200-K203 PolarHBondContact O-N 2.99Å; F200-H204 PolarHBondContact O-N 2.98Å; F200-T205 PolarHBondContact O-N 2.9Å; F200-T205 PolarHBondContact O-OG1 2.94Å
201R61.1Low80.9Confident89 Ų8969.3 Ų69.334%0.33635%0.347SS..Hα-helixtrans-62.3-43.4174.6-55.5-148.7-64.6-163.52.8111.4L193 N195 E198 K203 H204L193-R201 PolarHBondContact O-NH1 3.19Å; N195-R201 VanDerWaalsContact OD1-CZ 3.26Å; N195-R201 PolarHBondContact OD1-NH1 2.85Å; N195-R201 PolarHBondContact OD1-NH2 2.63Å; E198-R201 VanDerWaalsContact CD-NH2 3.27Å; E198-R201 PolarHBondContact O-N 3.31Å; E198-R201 VanDerWaalsContact O-N 3.11Å; E198-R201 IonicContact OE1-CZ 3.25Å; E198-R201 IonicContact OE1-NE 2.84Å; E198-R201 IonicContact OE1-NH2 3.94Å; E198-R201 PolarHBondContact OE1-NH2 3.16Å; E198-R201 IonicContact OE2-CZ 2.7Å; E198-R201 IonicContact OE2-NE 2.68Å; E198-R201 PolarHBondContact OE2-NE 3.48Å; E198-R201 IonicContact OE2-NH2 2.97Å; E198-R201 PolarHBondContact OE2-NH2 3.36Å; R201-K203 PolarHBondContact O-N 3.38Å; R201-K203 VanDerWaalsContact O-N 3.1Å; R201-H204 PolarHBondContact O-N 3.4Å; R201-H204 VanDerWaalsContact O-N 3.1Å
202K62.7Low81.1Confident140 Ų14071 Ų7161%0.60936%0.355SS*.THydrogen-bonded Turntrans-59-18.1171.6-63.9165-161.3158.20114.2E198 D199 F200E198-K202 WeakPolarHBondContact O-CG 3.47Å; E198-K202 PolarHBondContact O-N 3.37Å; D199-K202 IonicContact OD1-NZ 3.11Å; D199-K202 PolarHBondContact OD1-NZ 3.49Å; F200-K202 PolarHBondContact O-N 3.18Å
203K72.4Confident81.5Confident146 Ų14667.1 Ų67.164%0.63533%0.33SS*.THydrogen-bonded Turntrans-1053.8-179.2-65175.7-172.8163.70113.2D199 F200 R201 T205D199-K203 VanDerWaalsContact O-CD 3.24Å; D199-K203 WeakPolarHBondContact O-CD 3.43Å; D199-K203 VanDerWaalsContact O-CE 3.28Å; D199-K203 WeakPolarHBondContact O-CE 3.25Å; D199-K203 WeakPolarHBondContact O-CG 3.4Å; F200-K203 CarbonylContact O-C 3.52Å; F200-K203 WeakPolarHBondContact O-CA 3.3Å; F200-K203 PolarHBondContact O-N 2.99Å; R201-K203 PolarHBondContact O-N 3.38Å; R201-K203 VanDerWaalsContact O-N 3.1Å; K203-T205 PolarHBondContact O-N 3.03Å
204H80.6Confident82Confident143 Ų14366.5 Ų66.566%0.66233%0.327SS*.THydrogen-bonded Turntrans5038-178-65.7-83.3000114.1F200 R201 T206F200-H204 PolarHBondContact O-N 2.98Å; R201-H204 PolarHBondContact O-N 3.4Å; R201-H204 VanDerWaalsContact O-N 3.1Å; H204-T206 WeakPolarHBondContact O-CG2 3.45Å; H204-T206 PolarHBondContact O-N 3.4Å; H204-T206 VanDerWaalsContact O-N 3.16Å
205T91.2Very high83Confident17 Ų1762.8 Ų62.810%0.10430%0.299CS..  trans-53.2120.5-175.4-560000112.2L136 V191 F200 K203 D209 I210L136-T205 HydrophobicContact CD1-CG2 4.39Å; L136-T205 HydrophobicContact CD2-CG2 4.04Å; V191-T205 PolarHBondContact N-O 3.46Å; V191-T205 VanDerWaalsContact N-O 3.14Å; F200-T205 PolarHBondContact O-N 2.9Å; F200-T205 PolarHBondContact O-OG1 2.94Å; K203-T205 PolarHBondContact O-N 3.03Å; T205-D209 HydrophobicContact CG2-CB 4.33Å; T205-I210 HydrophobicContact CG2-CD1 3.9Å; T205-I210 HydrophobicContact CG2-CG1 3.94Å
206T94.8Very high84.4Confident18 Ų1864.2 Ų64.211%0.1130%0.297CS..BIsolated β-bridgetrans-101.5163-17970.70000112.3V189 H204 K208 D209 I210V189-T206 CarbonylContact O-C 3.59Å; V189-T206 WeakPolarHBondContact O-CA 3.49Å; V189-T206 VanDerWaalsContact O-CB 3.3Å; V189-T206 WeakPolarHBondContact O-CB 3.43Å; H204-T206 WeakPolarHBondContact O-CG2 3.45Å; H204-T206 PolarHBondContact O-N 3.4Å; H204-T206 VanDerWaalsContact O-N 3.16Å; T206-K208 PolarHBondContact O-N 2.91Å; T206-K208 WeakPolarHBondContact OG1-CB 3.35Å; T206-K208 PolarHBondContact OG1-N 3.05Å; T206-D209 WeakPolarHBondContact CB-OD2 3.28Å; T206-D209 PolarHBondContact N-OD2 2.84Å; T206-D209 PolarHBondContact O-N 3.25Å; T206-D209 VanDerWaalsContact OG1-CG 3.3Å; T206-D209 PolarHBondContact OG1-N 3.01Å; T206-D209 PolarHBondContact OG1-OD2 3.29Å; T206-I210 PolarHBondContact O-N 2.91Å
207Y96.3Very high85.8Confident5 Ų556.9 Ų56.92%0.0226%0.258CS..Hα-helixtrans-55.9-31.8170.9-71.9-74000112.6S179 N182 L183 V189 V191 P192 I210 R211S179-Y207 WeakPolarHBondContact CB-OH 3.49Å; S179-Y207 PolarHBondContact OG-OH 3Å; S179-Y207 VanDerWaalsContact OG-OH 3.12Å; N182-Y207 HydrophobicContact CB-CD1 4.38Å; N182-Y207 HydrophobicContact CB-CD2 3.52Å; N182-Y207 HydrophobicContact CB-CE2 3.97Å; N182-Y207 HydrophobicContact CB-CG 3.75Å; L183-Y207 HydrophobicContact CB-CD1 3.96Å; L183-Y207 HydrophobicContact CD1-CD1 4.46Å; L183-Y207 WeakPolarHBondContact CD1-O 3.39Å; V189-Y207 HydrophobicContact CB-CD2 4.11Å; V189-Y207 HydrophobicContact CG1-CD2 4.37Å; V189-Y207 HydrophobicContact CG1-CE2 4.4Å; V189-Y207 VanDerWaalsContact O-CD2 3.29Å; V189-Y207 WeakPolarHBondContact O-CD2 3.04Å; V189-Y207 PolarHBondContact O-N 3.29Å; V191-Y207 HydrophobicContact CG1-CE1 4.26Å; V191-Y207 HydrophobicContact CG2-CD1 3.7Å; V191-Y207 HydrophobicContact CG2-CD2 3.88Å; V191-Y207 HydrophobicContact CG2-CE1 3.74Å; V191-Y207 HydrophobicContact CG2-CE2 3.92Å; V191-Y207 HydrophobicContact CG2-CG 3.77Å; P192-Y207 WeakPolarHBondContact CD-OH 3.28Å; Y207-I210 PolarHBondContact O-N 3.4Å; Y207-R211 WeakPolarHBondContact O-CB 3.12Å; Y207-R211 PolarHBondContact O-N 2.85Å
208K96.2Very high86.8Confident95 Ų9555.3 Ų55.341%0.41325%0.249SC..Hα-helixtrans-60.5-44171.6-169.1178.9177.2-177.30112.6G186 N187 T206 I210 R211 N212G186-K208 VanDerWaalsContact O-CB 3.28Å; G186-K208 WeakPolarHBondContact O-CB 3.28Å; G186-K208 WeakPolarHBondContact O-CG 3.43Å; N187-K208 PolarHBondContact O-N 3.31Å; N187-K208 VanDerWaalsContact O-N 3.16Å; T206-K208 PolarHBondContact O-N 2.91Å; T206-K208 WeakPolarHBondContact OG1-CB 3.35Å; T206-K208 PolarHBondContact OG1-N 3.05Å; K208-I210 VanDerWaalsContact C-N 3.34Å; K208-R211 PolarHBondContact O-N 3.39Å; K208-N212 WeakPolarHBondContact O-CB 3.49Å; K208-N212 PolarHBondContact O-N 2.97Å; K208-N212 PolarHBondContact O-ND2 2.81Å
209D95.4Very high88.3Confident74 Ų7454.4 Ų54.440%0.39625%0.252SS..Hα-helixtrans-68.4-37.1-177.7-54.7-54.4000111.5T205 T206 N212 L213T205-D209 HydrophobicContact CG2-CB 4.33Å; T206-D209 WeakPolarHBondContact CB-OD2 3.28Å; T206-D209 PolarHBondContact N-OD2 2.84Å; T206-D209 PolarHBondContact O-N 3.25Å; T206-D209 VanDerWaalsContact OG1-CG 3.3Å; T206-D209 PolarHBondContact OG1-N 3.01Å; T206-D209 PolarHBondContact OG1-OD2 3.29Å; D209-N212 PolarHBondContact O-N 2.86Å; D209-L213 WeakPolarHBondContact O-CB 3.41Å; D209-L213 PolarHBondContact O-N 3.14Å
210I96Very high89.6Confident1 Ų152.7 Ų52.71%0.00524%0.243CC..Hα-helixtrans-70.6-43174.9-67.2146.4000111L136 L137 V140 L183 V191 T205 T206 Y207 K208 N212 L213 C214L136-I210 HydrophobicContact CD1-CD1 4.42Å; L136-I210 HydrophobicContact CD2-CG1 3.96Å; L136-I210 HydrophobicContact CG-CG1 4.34Å; L137-I210 HydrophobicContact CD2-CG2 4.23Å; V140-I210 HydrophobicContact CG1-CG2 4.15Å; V140-I210 HydrophobicContact CG2-CD1 3.58Å; V140-I210 HydrophobicContact CG2-CG1 4.22Å; V140-I210 HydrophobicContact CG2-CG2 4.21Å; L183-I210 HydrophobicContact CD1-CB 4.17Å; L183-I210 HydrophobicContact CD1-CG2 3.92Å; V191-I210 HydrophobicContact CB-CD1 4.23Å; V191-I210 HydrophobicContact CG2-CD1 3.37Å; T205-I210 HydrophobicContact CG2-CD1 3.9Å; T205-I210 HydrophobicContact CG2-CG1 3.94Å; T206-I210 PolarHBondContact O-N 2.91Å; Y207-I210 PolarHBondContact O-N 3.4Å; K208-I210 VanDerWaalsContact C-N 3.34Å; I210-N212 VanDerWaalsContact C-N 3.25Å; I210-N212 PolarHBondContact O-N 3.26Å; I210-L213 WeakPolarHBondContact O-CA 3.45Å; I210-L213 WeakPolarHBondContact O-CB 3.35Å; I210-L213 PolarHBondContact O-N 2.9Å; I210-C214 PolarHBondContact O-N 3.31Å; I210-C214 PolarHBondContact O-SG 3.15Å
211R97Very high91Very high48 Ų4855.4 Ų55.418%0.18126%0.262CS..Hα-helixtrans-53.4-46.6171.7-170.3-174.9-178.6-166.7-4.9110.8I105 L109 L183 M184 N185 G186 Y207 K208 L213 C214 F215I105-R211 VanDerWaalsContact CD1-NH2 3.33Å; L109-R211 HydrophobicContact CD1-CG 4.47Å; L183-R211 HydrophobicContact CD1-CB 3.93Å; L183-R211 WeakPolarHBondContact O-CD 3.37Å; M184-R211 PolarHBondContact O-NE 2.98Å; M184-R211 PolarHBondContact O-NH1 3.13Å; M184-R211 PolarHBondContact O-NH2 3.1Å; N185-R211 PolarHBondContact O-NH1 3.04Å; G186-R211 VanDerWaalsContact CA-CD 3.48Å; Y207-R211 WeakPolarHBondContact O-CB 3.12Å; Y207-R211 PolarHBondContact O-N 2.85Å; K208-R211 PolarHBondContact O-N 3.39Å; R211-L213 VanDerWaalsContact C-N 3.32Å; R211-L213 PolarHBondContact O-N 3.12Å; R211-C214 PolarHBondContact O-N 3.17Å; R211-F215 HydrophobicContact CG-CD2 3.89Å; R211-F215 HydrophobicContact CG-CE2 3.74Å; R211-F215 VanDerWaalsContact O-CD2 3.28Å; R211-F215 WeakPolarHBondContact O-CD2 3.23Å; R211-F215 PolarHBondContact O-N 3.31Å
212N96.8Very high92.6Very high50 Ų5055.3 Ų55.327%0.26727%0.267SS..Hα-helixtrans-68.8-25.9177.5-68.6-13.9000113.5K208 D209 I210 R216K208-N212 WeakPolarHBondContact O-CB 3.49Å; K208-N212 PolarHBondContact O-N 2.97Å; K208-N212 PolarHBondContact O-ND2 2.81Å; D209-N212 PolarHBondContact O-N 2.86Å; I210-N212 VanDerWaalsContact C-N 3.25Å; I210-N212 PolarHBondContact O-N 3.26Å; N212-R216 VanDerWaalsContact O-CB 3.28Å; N212-R216 WeakPolarHBondContact O-CB 3.33Å; N212-R216 PolarHBondContact O-N 3.17Å; N212-R216 PolarHBondContact O-NH2 3.45Å
213L97Very high94.2Very high7 Ų748.6 Ų48.64%0.03724%0.239CC..Hα-helixtrans-72.9-48.2171.2173.564.7000110.8N133 L136 L137 D209 I210 R211 R216 L217N133-L213 HydrophobicContact CB-CD1 4.42Å; N133-L213 HydrophobicContact CB-CD2 4.07Å; L136-L213 HydrophobicContact CD2-CD2 4.19Å; L137-L213 HydrophobicContact CD1-CD2 4.35Å; L137-L213 HydrophobicContact CD2-CD2 4.15Å; L137-L213 HydrophobicContact CG-CD2 4.14Å; D209-L213 WeakPolarHBondContact O-CB 3.41Å; D209-L213 PolarHBondContact O-N 3.14Å; I210-L213 WeakPolarHBondContact O-CA 3.45Å; I210-L213 WeakPolarHBondContact O-CB 3.35Å; I210-L213 PolarHBondContact O-N 2.9Å; R211-L213 VanDerWaalsContact C-N 3.32Å; R211-L213 PolarHBondContact O-N 3.12Å; L213-R216 PolarHBondContact O-N 2.81Å; L213-L217 HydrophobicContact CD1-CD1 3.9Å; L213-L217 HydrophobicContact CD1-CG 4.27Å; L213-L217 HydrophobicContact CG-CD1 3.98Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 3Å
214C97.5Very high95.3Very high0 Ų043.9 Ų43.90%022%0.219CC..Hα-helixtrans-59.6-48.3178.7-61.60000111.4L109 F112 L137 I210 R211 R216 L217 L218L109-C214 HydrophobicContact CD2-CB 3.51Å; F112-C214 HydrophobicContact CD1-CB 4.03Å; F112-C214 HydrophobicContact CE1-CB 4.04Å; L137-C214 WeakPolarHBondContact CD2-SG 3.43Å; I210-C214 PolarHBondContact O-N 3.31Å; I210-C214 PolarHBondContact O-SG 3.15Å; R211-C214 PolarHBondContact O-N 3.17Å; C214-R216 PolarHBondContact O-N 2.91Å; C214-L217 PolarHBondContact O-N 3.32Å; C214-L218 WeakPolarHBondContact O-CB 3.48Å; C214-L218 WeakPolarHBondContact O-CG 3.36Å; C214-L218 PolarHBondContact O-N 3.23Å
215F97.2Very high96Very high10 Ų1040.4 Ų40.44%0.04420%0.203CC..Hα-helixtrans-64.1-38.3177.1-77.6-63.5000113I105 L109 R211 L217 L218 S219 I361I105-F215 HydrophobicContact CG2-CZ 4.22Å; L109-F215 HydrophobicContact CD1-CE2 4.37Å; L109-F215 HydrophobicContact CD2-CE2 4.41Å; L109-F215 HydrophobicContact CD2-CZ 4.3Å; L109-F215 HydrophobicContact CG-CZ 4.43Å; R211-F215 HydrophobicContact CG-CD2 3.89Å; R211-F215 HydrophobicContact CG-CE2 3.74Å; R211-F215 VanDerWaalsContact O-CD2 3.28Å; R211-F215 WeakPolarHBondContact O-CD2 3.23Å; R211-F215 PolarHBondContact O-N 3.31Å; F215-L217 VanDerWaalsContact C-N 3.31Å; F215-L217 PolarHBondContact O-N 3.2Å; F215-L218 HydrophobicContact CD1-CD1 4.42Å; F215-L218 CarbonylContact O-C 3.58Å; F215-L218 PolarHBondContact O-N 3.39Å; F215-S219 PolarHBondContact O-N 3.34Å; F215-S219 PolarHBondContact O-OG 3.49Å; F215-S219 VanDerWaalsContact O-OG 3.09Å; F215-I361 HydrophobicContact CB-CG2 4.22Å; F215-I361 HydrophobicContact CD1-CG1 4.4Å; F215-I361 HydrophobicContact CD1-CG2 3.8Å; F215-I361 HydrophobicContact CG-CG2 4.3Å
216R97.6Very high96.2Very high137 Ų13741.6 Ų41.652%0.51721%0.211SC..Hα-helixtrans-64.8-34.6175.8-165.7-164.7-41.1121.817112.9N212 L213 C214N212-R216 VanDerWaalsContact O-CB 3.28Å; N212-R216 WeakPolarHBondContact O-CB 3.33Å; N212-R216 PolarHBondContact O-N 3.17Å; N212-R216 PolarHBondContact O-NH2 3.45Å; L213-R216 PolarHBondContact O-N 2.81Å; C214-R216 PolarHBondContact O-N 2.91Å
217L97.4Very high96.2Very high4 Ų441.8 Ų41.82%0.02121%0.211CC..Hα-helixtrans-72.2-42.4172.8-73.7167.1000111.1F112 V125 L137 L213 C214 F215 S219 N220 V223F112-L217 HydrophobicContact CE2-CB 4.31Å; F112-L217 HydrophobicContact CZ-CB 4.03Å; F112-L217 HydrophobicContact CZ-CD1 3.88Å; V125-L217 HydrophobicContact CB-CD2 4.49Å; V125-L217 HydrophobicContact CG1-CD1 3.87Å; V125-L217 HydrophobicContact CG1-CD2 4.17Å; V125-L217 HydrophobicContact CG2-CD1 4.45Å; V125-L217 HydrophobicContact CG2-CD2 4.38Å; L137-L217 HydrophobicContact CD1-CD1 3.64Å; L213-L217 HydrophobicContact CD1-CD1 3.9Å; L213-L217 HydrophobicContact CD1-CG 4.27Å; L213-L217 HydrophobicContact CG-CD1 3.98Å; L213-L217 WeakPolarHBondContact O-CG 3.43Å; L213-L217 PolarHBondContact O-N 3Å; C214-L217 PolarHBondContact O-N 3.32Å; F215-L217 VanDerWaalsContact C-N 3.31Å; F215-L217 PolarHBondContact O-N 3.2Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.44Å; L217-N220 VanDerWaalsContact O-CB 3.23Å; L217-N220 WeakPolarHBondContact O-CB 3.31Å; L217-N220 PolarHBondContact O-N 3.48Å; L217-V223 HydrophobicContact CD2-CG2 4.33Å; L217-V223 VanDerWaalsContact O-CB 3.31Å; L217-V223 WeakPolarHBondContact O-CB 3.42Å
218L96.2Very high96Very high3 Ų344.1 Ų44.12%0.01624%0.237CC..Hα-helixtrans-65.7-25.1175.3-75.5164.5000113.3L109 F112 C214 F215 N220 Q224 M227 L229 I361L109-L218 HydrophobicContact CD2-CD1 3.96Å; F112-L218 HydrophobicContact CB-CD1 4.16Å; F112-L218 HydrophobicContact CB-CD2 4.14Å; F112-L218 HydrophobicContact CB-CG 4.41Å; F112-L218 HydrophobicContact CD2-CD2 3.81Å; F112-L218 HydrophobicContact CD2-CG 4Å; F112-L218 HydrophobicContact CG-CD1 4.27Å; F112-L218 HydrophobicContact CG-CD2 4.2Å; F112-L218 HydrophobicContact CG-CG 4.19Å; C214-L218 WeakPolarHBondContact O-CB 3.48Å; C214-L218 WeakPolarHBondContact O-CG 3.36Å; C214-L218 PolarHBondContact O-N 3.23Å; F215-L218 HydrophobicContact CD1-CD1 4.42Å; F215-L218 CarbonylContact O-C 3.58Å; F215-L218 PolarHBondContact O-N 3.39Å; L218-N220 VanDerWaalsContact C-N 3.3Å; L218-Q224 WeakPolarHBondContact O-CG 3.35Å; L218-Q224 PolarHBondContact O-NE2 3.04Å; L218-M227 HydrophobicContact CD2-CE 3.93Å; L218-M227 HydrophobicContact CD2-SD 3.82Å; L218-L229 HydrophobicContact CD2-CD1 4.47Å; L218-I361 HydrophobicContact CB-CD1 4.32Å
219S95.6Very high95.4Very high61 Ų6142.6 Ų42.643%0.42723%0.233SC..THydrogen-bonded Turntrans-79.8-4.4169.5-60.60000114.1F215 L217 I361F215-S219 PolarHBondContact O-N 3.34Å; F215-S219 PolarHBondContact O-OG 3.49Å; F215-S219 VanDerWaalsContact O-OG 3.09Å; L217-S219 VanDerWaalsContact C-N 3.26Å; L217-S219 PolarHBondContact O-N 3.44Å; S219-I361 WeakPolarHBondContact OG-CD1 3.41Å
220N96.6Very high94.7Very high43 Ų4342 Ų4223%0.2323%0.23CC..  trans-90.3123.2-175.8-174.2-87000111.3S128 L217 L218 L222 V223 Q224S128-N220 WeakPolarHBondContact CB-OD1 3.32Å; S128-N220 VanDerWaalsContact OG-CG 3.24Å; S128-N220 PolarHBondContact OG-ND2 2.87Å; S128-N220 PolarHBondContact OG-OD1 3.06Å; L217-N220 VanDerWaalsContact O-CB 3.23Å; L217-N220 WeakPolarHBondContact O-CB 3.31Å; L217-N220 PolarHBondContact O-N 3.48Å; L218-N220 VanDerWaalsContact C-N 3.3Å; N220-L222 VanDerWaalsContact C-N 3.31Å; N220-L222 PolarHBondContact O-N 3.46Å; N220-L222 WeakPolarHBondContact OD1-CB 3.42Å; N220-L222 PolarHBondContact OD1-N 3.08Å; N220-V223 HydrophobicContact CB-CB 4.36Å; N220-V223 HydrophobicContact CB-CG2 4.09Å; N220-V223 PolarHBondContact O-N 3.44Å; N220-Q224 PolarHBondContact O-N 3.45Å
221P95.5Very high93.1Very high73 Ų7346.9 Ų46.947%0.47426%0.264SS..Hα-helixtrans-56.3-37.8-175.7-29.836.5000114.9V223 Q224 Q225 I230P221-V223 VanDerWaalsContact C-N 3.29Å; P221-V223 PolarHBondContact O-N 3.02Å; P221-Q224 PolarHBondContact O-N 3.27Å; P221-Q225 WeakPolarHBondContact O-CB 3.15Å; P221-Q225 WeakPolarHBondContact O-CG 3.28Å; P221-Q225 PolarHBondContact O-N 3.26Å; P221-Q225 PolarHBondContact O-OE1 3.11Å; P221-I230 HydrophobicContact CB-CD1 4.45Å
222L95.6Very high91Very high86 Ų8649.7 Ų49.745%0.4528%0.283SS..Hα-helixtrans-65.2-34.4179.6-58.1176.6000112.1A124 N220 S226A124-L222 HydrophobicContact CB-CB 4.41Å; A124-L222 WeakPolarHBondContact CB-O 3.27Å; N220-L222 VanDerWaalsContact C-N 3.31Å; N220-L222 PolarHBondContact O-N 3.46Å; N220-L222 WeakPolarHBondContact OD1-CB 3.42Å; N220-L222 PolarHBondContact OD1-N 3.08Å; L222-S226 VanDerWaalsContact O-CB 3.28Å; L222-S226 WeakPolarHBondContact O-CB 3.21Å; L222-S226 PolarHBondContact O-N 3.27Å; L222-S226 VanDerWaalsContact O-N 3.12Å; L222-S226 PolarHBondContact O-OG 3.32Å
223V96.3Very high88.3Confident0 Ų053.1 Ų53.10%031%0.31CS..Hα-helixtrans-74.8-44.3175.7-179.60000109.6F112 A124 V125 L217 N220 P221 S226 M227F112-V223 HydrophobicContact CE2-CG1 4.16Å; A124-V223 HydrophobicContact CB-CG2 4.07Å; V125-V223 HydrophobicContact CG2-CG1 4.38Å; V125-V223 HydrophobicContact CG2-CG2 4.27Å; L217-V223 HydrophobicContact CD2-CG2 4.33Å; L217-V223 VanDerWaalsContact O-CB 3.31Å; L217-V223 WeakPolarHBondContact O-CB 3.42Å; N220-V223 HydrophobicContact CB-CB 4.36Å; N220-V223 HydrophobicContact CB-CG2 4.09Å; N220-V223 PolarHBondContact O-N 3.44Å; P221-V223 VanDerWaalsContact C-N 3.29Å; P221-V223 PolarHBondContact O-N 3.02Å; V223-S226 PolarHBondContact O-N 3.37Å; V223-M227 HydrophobicContact CG1-CG 4.4Å; V223-M227 HydrophobicContact CG1-SD 3.89Å; V223-M227 WeakPolarHBondContact O-CB 3.41Å; V223-M227 VanDerWaalsContact O-CG 3.32Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 2.96Å
224Q95.3Very high85.5Confident46 Ų4657 Ų5722%0.21534%0.338CS..Hα-helixtrans-59.6-46.8176.2-70-171.4-4.700112.6L218 N220 P221 M227 G228 L229 I230L218-Q224 WeakPolarHBondContact O-CG 3.35Å; L218-Q224 PolarHBondContact O-NE2 3.04Å; N220-Q224 PolarHBondContact O-N 3.45Å; P221-Q224 PolarHBondContact O-N 3.27Å; Q224-M227 PolarHBondContact O-N 3.3Å; Q224-G228 PolarHBondContact O-N 2.7Å; Q224-G228 VanDerWaalsContact O-N 3.15Å; Q224-L229 HydrophobicContact CB-CB 4.11Å; Q224-L229 HydrophobicContact CG-CD1 4.45Å; Q224-L229 PolarHBondContact O-N 2.75Å; Q224-I230 HydrophobicContact CB-CD1 3.94Å; Q224-I230 HydrophobicContact CB-CG1 4.02Å; Q224-I230 VanDerWaalsContact OE1-CD1 3.22Å
225Q95.2Very high82.6Confident71 Ų7162.9 Ų62.933%0.33237%0.374SS..Hα-helixtrans-59-47.5173-74170-42.600111.1P221 M227 G228 I230 D232P221-Q225 WeakPolarHBondContact O-CB 3.15Å; P221-Q225 WeakPolarHBondContact O-CG 3.28Å; P221-Q225 PolarHBondContact O-N 3.26Å; P221-Q225 PolarHBondContact O-OE1 3.11Å; Q225-M227 PolarHBondContact O-N 3.11Å; Q225-G228 PolarHBondContact O-N 3.35Å; Q225-I230 HydrophobicContact CG-CB 4.09Å; Q225-I230 HydrophobicContact CG-CG2 4.28Å; Q225-D232 PolarHBondContact NE2-OD1 2.9Å; Q225-D232 PolarHBondContact NE2-OD2 3.26Å
226S95Very high79.6Confident41 Ų4168.9 Ų68.929%0.28741%0.412SS..Hα-helixtrans-64.9-25.6179.8-60.20000113.8V121 A124 L222 V223V121-S226 VanDerWaalsContact CG2-O 3.27Å; V121-S226 WeakPolarHBondContact CG2-O 3.48Å; A124-S226 WeakPolarHBondContact CB-OG 3.32Å; L222-S226 VanDerWaalsContact O-CB 3.28Å; L222-S226 WeakPolarHBondContact O-CB 3.21Å; L222-S226 PolarHBondContact O-N 3.27Å; L222-S226 VanDerWaalsContact O-N 3.12Å; L222-S226 PolarHBondContact O-OG 3.32Å; V223-S226 PolarHBondContact O-N 3.37Å
227M94.9Very high77.1Confident22 Ų2268 Ų6811%0.10842%0.421CS..THydrogen-bonded Turntrans-89.3-1.3174-70.417968.900113.9F112 S115 V121 L218 V223 Q224 Q225 L229F112-M227 HydrophobicContact CB-CE 4.39Å; F112-M227 HydrophobicContact CD2-CE 4.19Å; F112-M227 HydrophobicContact CD2-SD 3.83Å; F112-M227 HydrophobicContact CE2-SD 4.43Å; S115-M227 WeakPolarHBondContact OG-CE 3.36Å; V121-M227 HydrophobicContact CG1-CG 4.08Å; V121-M227 HydrophobicContact CG2-CG 3.85Å; L218-M227 HydrophobicContact CD2-CE 3.93Å; L218-M227 HydrophobicContact CD2-SD 3.82Å; V223-M227 HydrophobicContact CG1-CG 4.4Å; V223-M227 HydrophobicContact CG1-SD 3.89Å; V223-M227 WeakPolarHBondContact O-CB 3.41Å; V223-M227 VanDerWaalsContact O-CG 3.32Å; V223-M227 WeakPolarHBondContact O-CG 3.28Å; V223-M227 PolarHBondContact O-N 2.96Å; Q224-M227 PolarHBondContact O-N 3.3Å; Q225-M227 PolarHBondContact O-N 3.11Å; M227-L229 VanDerWaalsContact C-N 3.32Å; M227-L229 HydrophobicContact CB-CD1 4.14Å; M227-L229 HydrophobicContact CB-CG 3.93Å; M227-L229 HydrophobicContact CE-CD1 4.1Å; M227-L229 PolarHBondContact O-N 2.82Å; M227-L229 HydrophobicContact SD-CD1 4.23Å
228G91.3Very high74.8Confident55 Ų5573.3 Ų73.357%0.56745%0.454SS*.THydrogen-bonded Turntrans67.128.4-175.400000114.3Q224 Q225Q224-G228 PolarHBondContact O-N 2.7Å; Q224-G228 VanDerWaalsContact O-N 3.15Å; Q225-G228 PolarHBondContact O-N 3.35Å
229L85.1Confident72.3Confident62 Ų6278.5 Ų78.533%0.32549%0.488SS..SBendtrans-90.3-24.8176.3-59.5178.2000112.7L218 Q224 M227L218-L229 HydrophobicContact CD2-CD1 4.47Å; Q224-L229 HydrophobicContact CB-CB 4.11Å; Q224-L229 HydrophobicContact CG-CD1 4.45Å; Q224-L229 PolarHBondContact O-N 2.75Å; M227-L229 VanDerWaalsContact C-N 3.32Å; M227-L229 HydrophobicContact CB-CD1 4.14Å; M227-L229 HydrophobicContact CB-CG 3.93Å; M227-L229 HydrophobicContact CE-CD1 4.1Å; M227-L229 PolarHBondContact O-N 2.82Å; M227-L229 HydrophobicContact SD-CD1 4.23Å
230I78.9Confident69.7Low62 Ų6283.9 Ų83.932%0.31851%0.506SS..SBendtrans-109.6129.3164.6-66.4171.4000107.7P221 Q224 Q225P221-I230 HydrophobicContact CB-CD1 4.45Å; Q224-I230 HydrophobicContact CB-CD1 3.94Å; Q224-I230 HydrophobicContact CB-CG1 4.02Å; Q224-I230 VanDerWaalsContact OE1-CD1 3.22Å; Q225-I230 HydrophobicContact CG-CB 4.09Å; Q225-I230 HydrophobicContact CG-CG2 4.28Å
231S63.2Low67.1Low104 Ų10487.2 Ų87.273%0.72753%0.53SS*.  trans-92.1120.1164.8-63.90000109.1S233S231-S233 VanDerWaalsContact C-N 3.26Å; S231-S233 PolarHBondContact O-N 3.25Å
232D52.9Low65.1Low107 Ų10790.1 Ų90.157%0.57255%0.547SS*.  trans-73.276.4178.5-69.7-31.6000111.5Q225 S234Q225-D232 PolarHBondContact NE2-OD1 2.9Å; Q225-D232 PolarHBondContact NE2-OD2 3.26Å; D232-S234 PolarHBondContact O-N 2.8Å
233S39.1Very low62.4Low121 Ų12194.1 Ų94.185%0.84656%0.563SS**  trans-76.944.5178.368.80000113S231S231-S233 VanDerWaalsContact C-N 3.26Å; S231-S233 PolarHBondContact O-N 3.25Å
234S38.8Very low60Low90 Ų90101 Ų10163%0.62960%0.604SS**  trans-159.892.4-178.554.50000112.4D232D232-S234 PolarHBondContact O-N 2.8Å
235T36.4Very low57.6Low123 Ų123104.2 Ų104.276%0.75563%0.627SS**  trans166.295.7134.5-72.80000110.2V237T235-V237 HydrophobicContact CG2-CG2 3.59Å
236T34.5Very low55.2Low136 Ų136105.1 Ų105.183%0.83465%0.647SS**  trans-96.389.7162.1-560000108.1V238T236-V238 HydrophobicContact CG2-CG2 4.46Å; T236-V238 PolarHBondContact O-N 3.47Å
237V45.3Very low52.6Low118 Ų118109.8 Ų109.872%0.71567%0.669SS**  trans-74.1106.9165.9179.90000107.8T235T235-V237 HydrophobicContact CG2-CG2 3.59Å
238V49.2Very low50.2Low116 Ų116113.9 Ų113.970%0.70370%0.7SS**PPolyproline II helixtrans-69.3128.5163.6178.20000107.6T236 E240T236-V238 HydrophobicContact CG2-CG2 4.46Å; T236-V238 PolarHBondContact O-N 3.47Å; V238-E240 PolarHBondContact O-N 3.29Å
239P44.6Very low47.9Very low112 Ų112119.6 Ų119.673%0.72771%0.711SS**PPolyproline II helixtrans-69.1122.9175.428-33.1000110.2
240E39.1Very low45.8Very low173 Ų173121.6 Ų121.681%0.80873%0.727SS**PPolyproline II helixtrans-68.6124.5178.1-175.9180173.300111.1V238V238-E240 PolarHBondContact O-N 3.29Å
241P44Very low44Very low114 Ų114125.1 Ų125.174%0.7475%0.746SS**PPolyproline II helixtrans-82.5119.6173.731.6-31.3000110.8Q243P241-Q243 PolarHBondContact O-N 3.37Å
242T52.3Low43Very low134 Ų134125.2 Ų125.282%0.82275%0.746SS**PPolyproline II helixtrans-55.5128-179.5-47.30000112.6
243Q39.4Very low42.6Very low169 Ų169125.6 Ų125.679%0.7976%0.755SS**PPolyproline II helixtrans-68.5142.7176-62.4-178.7-1.400112.6P241P241-Q243 PolarHBondContact O-N 3.37Å
244V45.8Very low42.7Very low144 Ų144126.6 Ų126.687%0.87376%0.756SS**  trans-133.9127.2153-175.90000109.1
245V44.3Very low42.8Very low115 Ų115125.1 Ų125.170%0.69776%0.755SS**  trans-66.8141.7-172.1174.80000113.9
246A44.6Very low43.3Very low90 Ų90127.4 Ų127.474%0.74476%0.762SS**  trans178.392.4135.100000114.3
247D41.2Very low43.7Very low139 Ų139126.4 Ų126.474%0.74376%0.76SS**  trans39128.2133.5-50-13.4000124
248S45Very low43.7Very low108 Ų108124.3 Ų124.376%0.75576%0.763SS**  trans69.3147.4138.9-62.10000121.3
249E43Very low43.6Very low174 Ų174124.6 Ų124.681%0.81377%0.767SS**  cis-155.2156.9-11.5-122.1-179.9172.200112.4
250T39.1Very low43.5Very low105 Ų105125.5 Ų125.564%0.64477%0.771SS**  trans-8.1128162.6-29.10000120.3
251N41.2Very low43.8Very low136 Ų136124.3 Ų124.373%0.72777%0.77SS**  168115.1110.9-94-68.2000117.3
252S42.1Very low43.8Very low105 Ų105124.9 Ų124.973%0.73477%0.771SS**  69.2155.9124.2-56.30000122
253P46.5Very low43.8Very low116 Ų116124.3 Ų124.375%0.75377%0.77SS**  trans-128.4-178.2-143.843.9-30.7000116.9
254T40.8Very low43.7Very low142 Ų142122.3 Ų122.387%0.87177%0.769SS**  trans155.5138133.9-65.40000113.5
255G39.4Very low44.1Very low59 Ų59121.7 Ų121.761%0.60877%0.765SS**  trans129.5109.9170.100000112.8
256L47.1Very low44Very low170 Ų170121.1 Ų121.189%0.8976%0.764SS**  62127.175.6-68.7161000113.2
257S44.1Very low43.6Very low115 Ų115128 Ų12880%0.80477%0.772SS**  cis-171.4157-0.654.10000111.7
258G44Very low43.8Very low75 Ų75128 Ų12877%0.77377%0.772SS**  trans150.4123.316100000115.8
259P47.4Very low43.3Very low121 Ų121131.5 Ų131.579%0.78678%0.777SS**  trans-118.9158.5-174.540.9-31.3000116.1
260T43.4Very low43.1Very low132 Ų132132.1 Ų132.181%0.8178%0.777SS**  trans170152155.317.10000108
261D44.8Very low43Very low147 Ų147132.6 Ų132.679%0.78678%0.78SS**  cis-162.8146.8-44.1-112.5-39000106.3
262V44.3Very low42.5Very low126 Ų126132.2 Ų132.276%0.76478%0.783SS**  trans-138125.8-174.4-177.80000112.3
263P51.5Low42.4Very low123 Ų123135.3 Ų135.380%0.79979%0.789SS**  trans-93.497.4174.534.3-30.6000112.4
264T37.4Very low41.7Very low127 Ų127132.9 Ų132.978%0.77979%0.785SS**PPolyproline II helixtrans-83131.5162.5-61.70000109.6
265V53.8Low41.5Very low131 Ų131129.8 Ų129.879%0.79478%0.782SS**PPolyproline II helixtrans-89.8126.4-179.7-178.30000110.8
266P42.8Very low41.3Very low103 Ų103135.9 Ų135.967%0.66979%0.794SS**PPolyproline II helixtrans-89.7156.917835.5-34.8000113.3
267Y37.2Very low40.8Very low234 Ų234133.8 Ų133.892%0.91879%0.793SS**PPolyproline II helixtrans-78.9146.1159.7-87.2-106.5000110.1
268N45.5Very low40.2Very low138 Ų138133.8 Ų133.874%0.73879%0.794SS**  trans-117132.2169.9-89.3-10.3000110.9
269E32.9Very low39.9Very low183 Ų183137 Ų13786%0.85580%0.798SS**  trans-79.7162.3159.9-60178108.700110.5
270F40.8Very low39.2Very low187 Ų187137.3 Ų137.382%0.8280%0.798SS**  trans-14391.3158.6-102.5-75.1000113
271T36.4Very low39.1Very low114 Ų114137 Ų13770%0.69980%0.796SS**  55.7100.7127.5-46.10000120
272T31.1Very low38.6Very low128 Ų128134.6 Ų134.679%0.78579%0.791SS**  trans-33.1137.8150.1-520000116.3
273I40.2Very low38.3Very low171 Ų171137 Ų13788%0.87780%0.799SS**  trans-127.6127.5142.5-63.4173.9000107.9
274G30.7Very low37.8Very low64 Ų64139.7 Ų139.766%0.6680%0.801SS**  trans-101.4164.7-177.900000113.9
275G37.3Very low38.1Very low78 Ų78136.6 Ų136.680%0.80478%0.783SS**  trans-155.5100.5173.800000110.8
276H34.2Very low37.3Very low186 Ų186137 Ų13786%0.86179%0.785SS**  trans-80.7138.2-180-67.9-99000111.5
277S37.3Very low37.4Very low126 Ų126139.6 Ų139.688%0.88179%0.794SS**  trans-157.5113.8145.3-830000110.1
278S31.5Very low37.8Very low116 Ų116136.2 Ų136.281%0.81179%0.786SS**  trans-95.4128.6175.352.40000110.8
279V37.9Very low37.6Very low142 Ų142135.3 Ų135.386%0.86179%0.786SS**  trans-132.9138.5161.3179.90000108.5
280T32.5Very low38Very low127 Ų127133.8 Ų133.878%0.77978%0.782SS**  trans-106.7129.8-169.6500000112.5
281T41.3Very low37.9Very low126 Ų126136.1 Ų136.177%0.77379%0.785SS**  trans-171.8105.3155.1300000105.6
282S34Very low38Very low97 Ų97135.5 Ų135.568%0.67878%0.783SS**  63.694.281.372.60000113.9
283D38.2Very low38.5Very low175 Ų175137.3 Ų137.394%0.93679%0.787SS**  trans-168.1151130.6-98-16.7000111.7
284E41.2Very low38.2Very low180 Ų180137.1 Ų137.184%0.84179%0.788SS**  trans-158150.7-166.2-179.8-172.6162.500108.4
285P43Very low38.6Very low63 Ų63137.7 Ų137.741%0.40978%0.782SS.*  cis-125.2140.5-27.834.5-18.9000112.7D287 Q288P285-D287 PolarHBondContact O-N 2.66Å; P285-D287 VanDerWaalsContact O-N 3.11Å; P285-Q288 HydrophobicContact CG-CG 4.46Å
286V38.5Very low38.5Very low138 Ų138139.9 Ų139.984%0.83678%0.78SS**THydrogen-bonded Turntrans-87.634.7177.1-159.20000113
287D43.6Very low38.7Very low158 Ų158138.8 Ų138.885%0.84577%0.773SS**THydrogen-bonded Turntrans-115.82.8179-106.9-38.7000113.7P285P285-D287 PolarHBondContact O-N 2.66Å; P285-D287 VanDerWaalsContact O-N 3.11Å
288Q46.2Very low38.9Very low163 Ų163139.6 Ų139.676%0.76277%0.767SS**SBendtrans-113.68.4-177.1-66.6-173.2-1.500114.8P285P285-Q288 HydrophobicContact CG-CG 4.46Å
289V41.2Very low39.3Very low120 Ų120142.4 Ų142.473%0.72777%0.765SS**SBendtrans-108.8-10.1-171.9-171.50000113.7
290I42Very low39.8Very low151 Ų151143.5 Ų143.577%0.77476%0.764SS**SBendtrans-121.352.1-172.7-41.8-175.9000112.9
291R38.4Very low40.3Very low235 Ų235146.6 Ų146.689%0.88777%0.77SS**  trans-176.3150.4156-96.9147.8-165.5-159.76.3108.1
292P38.3Very low40.1Very low102 Ų102145.1 Ų145.166%0.66277%0.771SS**  cis-122144.51.237.6-23.5000114.1
293L40.1Very low40.5Very low166 Ų166145.5 Ų145.587%0.86977%0.773SS**  trans-124.679.7159.1-77.4178.8000110S295L293-S295 PolarHBondContact O-N 3.04Å
294N35.8Very low40.4Very low167 Ų167148.1 Ų148.189%0.89377%0.77SS**  trans-72.370.7167-75-9.8000109.6
295S38.4Very low40.4Very low76 Ų76144.1 Ų144.153%0.53176%0.758SS.*  trans-124.1117.7-176.7-170.30000111.9L293 F297L293-S295 PolarHBondContact O-N 3.04Å; S295-F297 PolarHBondContact O-N 2.84Å
296T34.3Very low40Very low123 Ų123148.4 Ų148.476%0.75578%0.777SS**  trans-79.977.8-172.7-49.40000112N298T296-N298 PolarHBondContact O-N 3.24Å
297F39Very low40.2Very low164 Ų164150.2 Ų150.272%0.71978%0.776SS**  trans-80.781.6179.3-111.2-98.9000113.2S295 F299S295-F297 PolarHBondContact O-N 2.84Å; F297-F299 AromaticContact CD1-CD2 3.7Å; F297-F299 HydrophobicContact CD1-CD2 3.7Å; F297-F299 HydrophobicContact CD1-CE2 4.25Å; F297-F299 AromaticContact CE1-CD2 3.85Å; F297-F299 HydrophobicContact CE1-CD2 3.85Å; F297-F299 AromaticContact CE1-CE2 3.92Å; F297-F299 HydrophobicContact CE1-CE2 3.92Å; F297-F299 PolarHBondContact O-N 3.03Å
298N40.9Very low39.9Very low142 Ų142147.7 Ų147.776%0.75977%0.771SS**  trans-75.8106.5169.7-77.9-49.4000110.7T296T296-N298 PolarHBondContact O-N 3.24Å
299F40.9Very low39.5Very low175 Ų175148.1 Ų148.177%0.76877%0.773SS**  trans-136.123.5-176.6-115.1-80.4000117.3F297F297-F299 AromaticContact CD1-CD2 3.7Å; F297-F299 HydrophobicContact CD1-CD2 3.7Å; F297-F299 HydrophobicContact CD1-CE2 4.25Å; F297-F299 AromaticContact CE1-CD2 3.85Å; F297-F299 HydrophobicContact CE1-CD2 3.85Å; F297-F299 AromaticContact CE1-CE2 3.92Å; F297-F299 HydrophobicContact CE1-CE2 3.92Å; F297-F299 PolarHBondContact O-N 3.03Å
300I47.1Very low39.5Very low165 Ų165150.6 Ų150.685%0.84678%0.78SS**  trans-130.882.7161.8-50.6-179.7000109.6
301Q43.8Very low39Very low193 Ų193149.4 Ų149.490%0.90278%0.78SS**  trans-78.1121.7159.2-78.9-172.7-25.400108.8S303Q301-S303 PolarHBondContact O-N 3.01Å
302A36.5Very low39Very low95 Ų95142.8 Ų142.879%0.78578%0.775SS**  trans-74.887177.600000110.9R304A302-R304 PolarHBondContact O-N 3.42Å
303S42.3Very low38.9Very low105 Ų105147 Ų14773%0.73479%0.786SS**  trans-68.6115.3170.8-171.70000110.2Q301Q301-S303 PolarHBondContact O-N 3.01Å
304R37.7Very low38.8Very low229 Ų229144.7 Ų144.786%0.86478%0.781SS**  trans-91.8128.6164.4-69-176.5177.8-174.9-1.2108.4A302A302-R304 PolarHBondContact O-N 3.42Å
305V41Very low39.1Very low97 Ų97142.8 Ų142.859%0.58878%0.778SS**  trans-129.597.2171.3-177.80000108.5H307V305-H307 PolarHBondContact O-N 3.06Å
306D34.3Very low39Very low152 Ų152144.9 Ų144.981%0.81379%0.788SS**  trans-79.7107.1170.4-68-61000109.2
307H42.1Very low39.1Very low176 Ų176145.4 Ų145.482%0.81579%0.786SS**  trans-126.1122.5171.8-76.5-5.5000110.6V305V305-H307 PolarHBondContact O-N 3.06Å
308S37.9Very low39.1Very low105 Ų105147.4 Ų147.473%0.73479%0.79SS**  trans-108.5160.3-173.953.80000112.2
309H37.5Very low39Very low172 Ų172149.3 Ų149.380%0.79680%0.795SS**  trans43.897164.8-65.1-72000119
310I41.2Very low38.8Very low172 Ų172147.4 Ų147.488%0.88279%0.792SS**  trans-128.7135.5138.4-61.5-176.7000108.3
311T31Very low38.4Very low127 Ų127145.7 Ų145.778%0.77979%0.789SS**  trans-129133.1178.8-60.10000109.1
312A39.8Very low38.3Very low95 Ų95144.1 Ų144.179%0.78578%0.784SS**  trans-152.5152.2171.500000110
313E35.3Very low38.3Very low190 Ų190145 Ų14589%0.88878%0.781SS**PPolyproline II helixtrans-91.4157.8-164.1-62.6-171.6126.100115.6
314P37.9Very low38.2Very low118 Ų118145.4 Ų145.477%0.76678%0.779SS**PPolyproline II helixtrans-100.4152.6171.238.2-32.6000113.6
315P42.6Very low38.1Very low127 Ų127141.6 Ų141.683%0.82578%0.776SS**PPolyproline II helixtrans-96.1149.3163.935.1-30.8000113.2
316T36.8Very low37.9Very low120 Ų120145.4 Ų145.474%0.73679%0.788SS**PPolyproline II helixtrans-81.2150.9-172.547.10000115.1
317N36.5Very low37.8Very low135 Ų135145 Ų14572%0.72279%0.785SS**  170163110.2-92.9-64000115
318Y38.8Very low37.7Very low206 Ų206142.3 Ų142.381%0.80878%0.783SS**  trans73.788.3170.3-63.2-72.7000119.2
319E37.2Very low37.4Very low182 Ų182143.9 Ų143.985%0.8578%0.783SS**  18.2144.9105-71.5178.2-178.800118.8
320D37Very low37.3Very low135 Ų135145.5 Ų145.572%0.72279%0.788SS**  cis-164.2-177.8-4.9177.835.3000108.6
321V40.3Very low37Very low128 Ų128143.5 Ų143.578%0.77678%0.783SS**  trans127118.1160.4175.20000113
322M40Very low37.3Very low160 Ų160142.9 Ų142.979%0.78879%0.785SS**  trans-82.8160.7-170.8-75.6-83.1108.800115.7
323P36.7Very low37Very low113 Ų113144.1 Ų144.173%0.73478%0.782SS**  trans-98.9147177.137.6-33.1000114.3
324V40.3Very low37Very low115 Ų115139.5 Ų139.570%0.69777%0.771SS**  trans-147.6129.4167.4-171.30000112.1
325N36.1Very low36.7Very low148 Ų148139 Ų13979%0.79177%0.768SS**  trans148.989.4150.5-81.1-13000108.2
326Q37.3Very low36.4Very low178 Ų178140.9 Ų140.983%0.83276%0.764SS**  66114.277.4-63.4-161.811.400114.2
327L31Very low36.4Very low144 Ų144140.5 Ų140.575%0.75477%0.767SS**  trans-93.2153.5-179.4-175.273.1000110.8N329L327-N329 VanDerWaalsContact CD2-OD1 3.29Å; L327-N329 WeakPolarHBondContact CD2-OD1 3.43Å
328P39.9Very low36.3Very low119 Ų119141.4 Ų141.477%0.77377%0.771SS**  trans-124.1133.5142.235-26.8000112.4
329N32.8Very low36.5Very low138 Ų138139.6 Ų139.674%0.73877%0.77SS**  trans-68.4135.2-178.9-60.9-41.5000112.6L327L327-N329 VanDerWaalsContact CD2-OD1 3.29Å; L327-N329 WeakPolarHBondContact CD2-OD1 3.43Å
330K35.4Very low36.2Very low206 Ų206136.1 Ų136.190%0.89677%0.766SS**  trans-18097.3138.9-102.5164.6-176.7-178.50111.4
331T34.4Very low36.4Very low129 Ų129136.8 Ų136.879%0.79177%0.768SS**  trans-128.788.1171.1-430000109.7V333T331-V333 PolarHBondContact O-N 2.9Å
332S37.7Very low36.2Very low115 Ų115138.8 Ų138.880%0.80477%0.768SS**  trans-78.7104.5167.251.10000108.7S334S332-S334 PolarHBondContact O-N 3.33Å
333V33.4Very low36.1Very low120 Ų120138.4 Ų138.473%0.72777%0.77SS**  trans-68.5103.8179.2-175.70000109.4T331 C335T331-V333 PolarHBondContact O-N 2.9Å; V333-C335 PolarHBondContact O-N 3.22Å
334S34.2Very low36Very low93 Ų93140.6 Ų140.665%0.6578%0.775SS**  trans-88.897.9175.6-179.50000109.5S332 F336S332-S334 PolarHBondContact O-N 3.33Å; S334-F336 PolarHBondContact O-N 2.84Å
335C32.3Very low36.2Very low107 Ų107142.4 Ų142.472%0.72378%0.779SS**  trans-75.645179.6-55.60000113.4V333V333-C335 PolarHBondContact O-N 3.22Å
336F35.8Very low36.3Very low168 Ų168139.9 Ų139.974%0.73777%0.766SS**  trans-142.4101.3174-70.8-70.9000109.4S334 N338S334-F336 PolarHBondContact O-N 2.84Å; F336-N338 PolarHBondContact O-N 3.36Å
337S37.2Very low36.6Very low112 Ų112142.3 Ų142.378%0.78377%0.767SS**  trans-77105.9169.4-68.50000109H339S337-H339 PolarHBondContact O-N 2.97Å
338N34.3Very low36.9Very low153 Ų153138 Ų13882%0.81875%0.749SS**  trans-68.497.2174.7-70.1-35.7000110.3F336 S340F336-N338 PolarHBondContact O-N 3.36Å; N338-S340 PolarHBondContact O-N 3.3Å
339H42.4Very low36.8Very low169 Ų169137.3 Ų137.378%0.78274%0.739SS**  trans-78.6104.1157.4-82-74.7000108.7S337 I341S337-H339 PolarHBondContact O-N 2.97Å; H339-I341 PolarHBondContact O-N 3.13Å
340S31.3Very low37Very low109 Ų109135.9 Ų135.976%0.76274%0.735SS**  trans-64.896.2166.4-64.10000109.4N338 E342N338-S340 PolarHBondContact O-N 3.3Å; S340-E342 PolarHBondContact O-N 2.96Å
341I41.1Very low37Very low149 Ų149131.4 Ų131.476%0.76473%0.725SS**  trans-88.990.2159.6-59.3178.6000105.9H339H339-I341 PolarHBondContact O-N 3.13Å
342E37.5Very low37Very low169 Ų169133.1 Ų133.179%0.7972%0.717SS**  trans-73.4154.2162-67.9-175.8131.400109.4S340S340-E342 PolarHBondContact O-N 2.96Å
343D37.8Very low36.9Very low153 Ų153132.7 Ų132.782%0.81870%0.704SS**SBendtrans67.4127.4176.3-65.7-26.4000120.5
344N34.8Very low37Very low159 Ų159134.2 Ų134.285%0.8571%0.708SS**  trans7451.3148.6-146.917.6000119.6D346N344-D346 PolarHBondContact O-N 3.31Å
345I43Very low37Very low153 Ų153138 Ų13879%0.78572%0.716SS**  trans-79.4111.7156.6-58.9180000109.4
346D38.6Very low37.1Very low94 Ų94140 Ų14050%0.50371%0.714SS.*  trans-64.1130.6173179.99.2000111.3N344 S348N344-D346 PolarHBondContact O-N 3.31Å; D346-S348 PolarHBondContact O-N 2.85Å; D346-S348 PolarHBondContact OD1-N 2.98Å; D346-S348 VanDerWaalsContact OD2-CB 3.29Å; D346-S348 WeakPolarHBondContact OD2-CB 3.42Å; D346-S348 PolarHBondContact OD2-OG 2.85Å
347R42.7Very low37.1Very low229 Ų229139.7 Ų139.786%0.86471%0.71SS**THydrogen-bonded Turntrans-68.8-9.3178.1-71-177173.1-178.6-2.4113.5L349R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 3.42Å
348S38.3Very low37.2Very low54 Ų54140 Ų14038%0.37871%0.706SS.*THydrogen-bonded Turntrans-67.9-20.8176.877.40000115D346 T351D346-S348 PolarHBondContact O-N 2.85Å; D346-S348 PolarHBondContact OD1-N 2.98Å; D346-S348 VanDerWaalsContact OD2-CB 3.29Å; D346-S348 WeakPolarHBondContact OD2-CB 3.42Å; D346-S348 PolarHBondContact OD2-OG 2.85Å; S348-T351 PolarHBondContact O-OG1 3.36Å
349L37.2Very low37.7Very low105 Ų105136.2 Ų136.255%0.5569%0.686SS.*SBendtrans-75.7-32.2-174.2-77.9166.9000113.8R347 T351 R352R347-L349 VanDerWaalsContact C-N 3.29Å; R347-L349 PolarHBondContact O-N 3.42Å; L349-T351 VanDerWaalsContact C-N 3.27Å; L349-T351 PolarHBondContact O-N 3.42Å; L349-R352 PolarHBondContact O-N 3.25Å
350V37.7Very low37.8Very low108 Ų108135.4 Ų135.466%0.65569%0.687SS**G310 helixtrans-65.6-31.8-176-178.40000111.7
351T35.8Very low38.7Very low112 Ų112132.1 Ų132.169%0.68766%0.661SS**G310 helixtrans-86.11.3179.242.30000114.8S348 L349S348-T351 PolarHBondContact O-OG1 3.36Å; L349-T351 VanDerWaalsContact C-N 3.27Å; L349-T351 PolarHBondContact O-N 3.42Å
352R34.4Very low38.9Very low164 Ų164128.6 Ų128.662%0.61965%0.647SS**G310 helixtrans-93-16.3173.3-85.5-171.8169-177.4-1.5114.7L349 D354 Q355L349-R352 PolarHBondContact O-N 3.25Å; R352-D354 VanDerWaalsContact C-N 3.3Å; R352-D354 PolarHBondContact O-N 3.39Å; R352-Q355 PolarHBondContact O-N 3.09Å
353I35.6Very low39.1Very low107 Ų107129.9 Ų129.955%0.54965%0.653SS.*Hα-helixtrans-64.3-33.8-171.1-65.6173.9000112Q355 Y357I353-Q355 VanDerWaalsContact C-N 3.26Å; I353-Q355 PolarHBondContact O-N 3Å; I353-Y357 HydrophobicContact CG2-CE2 4.33Å
354D34.6Very low39.5Very low151 Ų151125.7 Ų125.781%0.80763%0.633SS**Hα-helixtrans-69.4-11-179.1-81.2-48.4000115.6R352R352-D354 VanDerWaalsContact C-N 3.3Å; R352-D354 PolarHBondContact O-N 3.39Å
355Q35.1Very low39.7Very low174 Ų174126.6 Ų126.681%0.81363%0.633SS**Hα-helixtrans-118.2-11.6-170.9-67.7-170.8-5.400116R352 I353R352-Q355 PolarHBondContact O-N 3.09Å; I353-Q355 VanDerWaalsContact C-N 3.26Å; I353-Q355 PolarHBondContact O-N 3Å
356Q33.9Very low39.4Very low147 Ų147127.9 Ų127.969%0.68764%0.635SS**Hα-helixtrans-105.7-10.9-174.8-64.7-162.7-92.700115.4V358Q356-V358 VanDerWaalsContact C-N 3.26Å; Q356-V358 PolarHBondContact O-N 3.22Å
357Y36.8Very low39.3Very low163 Ų163128.5 Ų128.564%0.63965%0.646SS**  trans-83.369.1172.2-72.1-74.7000111.8I353 L359I353-Y357 HydrophobicContact CG2-CE2 4.33Å; Y357-L359 PolarHBondContact O-N 3.05Å
358V38.1Very low38.9Very low117 Ų117126.6 Ų126.671%0.70964%0.644SS**  trans-56.5123157.8176.90000107.2Q356 N360Q356-V358 VanDerWaalsContact C-N 3.26Å; Q356-V358 PolarHBondContact O-N 3.22Å; V358-N360 VanDerWaalsContact C-N 3.33Å; V358-N360 PolarHBondContact O-N 3.13Å
359L44.8Very low38.9Very low74 Ų74131.6 Ų131.639%0.38767%0.665SS.*  trans-69.390.1-178.5-71.9173.1000110.1C108 Y357 I361C108-L359 HydrophobicContact CB-CD2 4.04Å; Y357-L359 PolarHBondContact O-N 3.05Å; L359-I361 HydrophobicContact CB-CG1 4.24Å; L359-I361 PolarHBondContact O-N 3.22Å
360N45.6Very low38.8Very low153 Ų153133.6 Ų133.682%0.81867%0.672SS**  trans-67.176.2160.6-79.7-16.1000108.7V358V358-N360 VanDerWaalsContact C-N 3.33Å; V358-N360 PolarHBondContact O-N 3.13Å
361I49.3Very low38.7Very low39 Ų39134.9 Ų134.920%0.267%0.674CS.*PPolyproline II helixtrans-57.5122.2171.1-62.8174.7000106.8F215 L218 S219 L359 E363F215-I361 HydrophobicContact CB-CG2 4.22Å; F215-I361 HydrophobicContact CD1-CG1 4.4Å; F215-I361 HydrophobicContact CD1-CG2 3.8Å; F215-I361 HydrophobicContact CG-CG2 4.3Å; L218-I361 HydrophobicContact CB-CD1 4.32Å; S219-I361 WeakPolarHBondContact OG-CD1 3.41Å; L359-I361 HydrophobicContact CB-CG1 4.24Å; L359-I361 PolarHBondContact O-N 3.22Å; I361-E363 PolarHBondContact O-N 2.9Å
362P45.5Very low38.8Very low75 Ų75138.8 Ų138.849%0.48768%0.682SS.*PPolyproline II helixtrans-62.7128.7177.525.6-33.1000109.4V364P362-V364 PolarHBondContact O-N 3.26Å
363E42.5Very low38.7Very low196 Ų196134.4 Ų134.492%0.91669%0.688SS**PPolyproline II helixtrans-55.1128.1178.7-80.8-172116.900110.8I361 E365I361-E363 PolarHBondContact O-N 2.9Å; E363-E365 PolarHBondContact O-N 2.98Å
364V45.8Very low38.8Very low65 Ų65141.4 Ų141.439%0.39471%0.707SS.*  trans-83.9110.4179.11790000108.3P362 H366P362-V364 PolarHBondContact O-N 3.26Å; V364-H366 PolarHBondContact O-N 2.73Å
365E38.5Very low38.9Very low179 Ų179139.2 Ų139.284%0.83670%0.704SS**  trans-55.4108.9175.2-70.6-172.4133.200111.1E363 S367E363-E365 PolarHBondContact O-N 2.98Å; E365-S367 PolarHBondContact O-N 3.08Å
366H35.6Very low39.2Very low179 Ų179135.8 Ų135.883%0.82970%0.699SS**  trans-71.888.6177.4-74.3-69.6000111.1V364 K368V364-H366 PolarHBondContact O-N 2.73Å; H366-K368 PolarHBondContact O-N 3.15Å
367S37.1Very low39.4Very low107 Ų107134.1 Ų134.175%0.74870%0.704SS**  trans-60.1107.8170.8-660000110.5E365 I369E365-S367 PolarHBondContact O-N 3.08Å; S367-I369 PolarHBondContact O-N 3.25Å
368K35Very low39.6Very low189 Ų189131 Ų13182%0.82271%0.706SS**  trans-62.4128.9169.8-74.1-176.9174.6-176.50109.8H366H366-K368 PolarHBondContact O-N 3.15Å
369I38.2Very low39.8Very low159 Ų159133.5 Ų133.582%0.81571%0.714SS**  trans-112.1118.2162.5-63176.9000106.5S367S367-I369 PolarHBondContact O-N 3.25Å
370E34.4Very low39.5Very low148 Ų148135 Ų13569%0.69273%0.731SS**  trans-95.3160.2172.9-66.2-172.3159.300111
371L35.9Very low39.2Very low135 Ų135133 Ų13371%0.70773%0.726SS**  trans67.4152.2174.5-52117.7000115.2
372F38.2Very low38.8Very low193 Ų193138.8 Ų138.885%0.84676%0.758SS**  cis-120.5149.11.9-100.5-87.1000111.2
373G31.6Very low38.6Very low72 Ų72142 Ų14274%0.74277%0.771SS**  trans-97163.6175.600000114.3
374R37.5Very low38.6Very low254 Ų254137.5 Ų137.596%0.95876%0.757SS**  trans-150152.6159.8-126.1179-177.9-163.3-0.8112.1
375S38.5Very low38.4Very low106 Ų106140.4 Ų140.474%0.74177%0.77SS**  trans-57.6168.2-174.3-390000114.6
376S39.7Very low38.3Very low102 Ų102139.4 Ų139.471%0.71377%0.765SS**  cis-161.6173.922.7-31.30000113.1
377S39.6Very low38.4Very low112 Ų112136.3 Ų136.378%0.78376%0.759SS**  trans65.6145.7155.349.30000119.6
378S40.7Very low38.5Very low96 Ų96136.7 Ų136.767%0.67176%0.757SS**  cis-173.7145.6-16.651.50000111.9
379L42.7Very low38.5Very low170 Ų170131.7 Ų131.789%0.8975%0.746SS**  trans67.6149.7167.3-54.8165.8000115.4
380S37.4Very low38.6Very low107 Ų107133 Ų13375%0.74875%0.746SS**  cis-145.2151.9-2.7-159.70000110.3
381P38.6Very low38.8Very low110 Ų110135 Ų13571%0.71475%0.752SS**  trans-101.4154.5-179.538.3-33.7000114.5
382D42.7Very low38.9Very low160 Ų160133.6 Ų133.686%0.85675%0.754SS**  trans175.6153.7155.7-98-22.5000107.6
383N41.3Very low38.8Very low142 Ų142131.5 Ų131.576%0.75975%0.75SS**  cis-144.3151.9-2.8-165.2-2.2000111.2
384V41.6Very low39.2Very low103 Ų103135.3 Ų135.362%0.62475%0.752SS**  trans-73.1148-168.1177.70000115.7
385N40.5Very low39.3Very low126 Ų126127 Ų12767%0.67473%0.734SS**  trans152.7131.9136.8-81.6-54.1000112.3
386Q37.4Very low39.2Very low158 Ų158129.7 Ų129.774%0.73873%0.734SS**  67.1139.765.8-68-166.382.100113.3
387T37.2Very low39.2Very low114 Ų114131.5 Ų131.570%0.69974%0.736SS**  cis-151179.411.940.10000110.5
388T40.2Very low39.1Very low114 Ų114134.7 Ų134.770%0.69974%0.738SS**  cis-170.6149.5-34.141.70000110.7
389S35.4Very low39.1Very low84 Ų84138.2 Ų138.259%0.58774%0.744SS**  trans73.3162.7154-148.80000117.3
390F39.5Very low38.6Very low188 Ų188137.3 Ų137.383%0.82574%0.735SS**  cis-134.6158.110.6-67.6-101.5000110.6
391K37.7Very low38.7Very low189 Ų189138.3 Ų138.382%0.82274%0.737SS**  cis85.4101.935.2-109.3-166.4-178.3-172.70117.4
392S38.2Very low38.4Very low105 Ų105140.8 Ų140.873%0.73474%0.744SS**  trans-179.5119.1139.5-108.10000109.9
393I37.3Very low38.2Very low149 Ų149139.8 Ų139.876%0.76474%0.737SS**  73118.881.3-65.8168.7000111.3
394L39.2Very low38.1Very low152 Ų152140.1 Ų140.180%0.79674%0.739SS**  -165.8145.575.7-170.561.9000114.7
395S39.2Very low38.2Very low81 Ų81141 Ų14157%0.56674%0.744SS**  trans37.1122.2153.6-65.30000122.6
396Q36.7Very low38.7Very low161 Ų161142.9 Ų142.975%0.75275%0.749SS**  75.6146.590.6-73.5-179.5-9500115.4
397D40.6Very low39.9Very low140 Ų140144 Ų14475%0.74975%0.751SS**  cis-133.11798.3-95.9-36.5000112.5
398E35.9Very low41Very low179 Ų179144.7 Ų144.784%0.83676%0.758SS**  trans-87.4144.8-175.6-52.1-175.8127.900114.5
399H41.2Very low42.3Very low170 Ų170143.4 Ų143.479%0.78775%0.746SS**  -171168.7121.2-113.4-82.1000113.1
400E33.7Very low44.3Very low152 Ų152142.4 Ų142.471%0.7174%0.739SS**  trans-68.3147.7-166.6-53.7134.511000115.5
401T38.7Very low45.8Very low128 Ų128142.6 Ų142.679%0.78574%0.735SS**  -172131.7111.120.30000111.6I403T401-I403 PolarHBondContact O-N 3.3Å
402N32.6Very low47.4Very low162 Ų162135.9 Ų135.987%0.86672%0.715SS**  trans-98.391.1-176.5-169.6-10.9000111.1
403I39Very low49.2Very low138 Ų138133.8 Ų133.871%0.70870%0.696SS**  trans-99.699.2179.6-57.8-179.2000109.9T401 V405T401-I403 PolarHBondContact O-N 3.3Å; I403-V405 PolarHBondContact O-N 2.83Å; I403-V405 VanDerWaalsContact O-N 3.17Å
404N39.1Very low50.9Low150 Ų150129.5 Ų129.580%0.80268%0.679SS**  trans-75101.8177.7-165.4-3.3000110.3H406N404-H406 PolarHBondContact O-N 3.48Å; N404-H406 VanDerWaalsContact O-N 3.1Å
405V43Very low52.7Low120 Ų120126 Ų12673%0.72766%0.664SS**  trans-70.7106.6-170-179.80000111.5I403 K407I403-V405 PolarHBondContact O-N 2.83Å; I403-V405 VanDerWaalsContact O-N 3.17Å; V405-K407 PolarHBondContact O-N 3.15Å
406H50Low54.5Low166 Ų166129.3 Ų129.377%0.76966%0.664SS**  trans-64.8114.3176.4-131.3-70.5000110.7N404N404-H406 PolarHBondContact O-N 3.48Å; N404-H406 VanDerWaalsContact O-N 3.1Å
407K63.5Low56.2Low182 Ų182130 Ų13079%0.79166%0.66SS**PPolyproline II helixtrans-63.2140.4167.6-69.4-176.3179.1-179.40109.4V405 I409V405-K407 PolarHBondContact O-N 3.15Å; K407-I409 PolarHBondContact O-N 3Å
408P61Low57.5Low128 Ų128127.2 Ų127.283%0.83166%0.656SS**PPolyproline II helixtrans-64131175.826.6-33.6000110S410P408-S410 PolarHBondContact O-N 3.01Å
409I67.5Low59Low88 Ų88122 Ų12245%0.45165%0.651SS.*PPolyproline II helixtrans-71.5125.9178.4-64.2177.8000108.2K407 D413K407-I409 PolarHBondContact O-N 3Å; I409-D413 HydrophobicContact CG2-CB 3.65Å
410S76.2Confident59.8Low63 Ų63121.8 Ų121.844%0.44165%0.65SS.*PPolyproline II helixtrans-64.6148.5177.9-179.80000110.6P408 A412 D413 S414P408-S410 PolarHBondContact O-N 3.01Å; S410-A412 PolarHBondContact O-N 2.83Å; S410-A412 VanDerWaalsContact O-N 3.15Å; S410-A412 PolarHBondContact OG-N 3.32Å; S410-D413 WeakPolarHBondContact CB-OD2 3.4Å; S410-D413 PolarHBondContact N-OD2 3.21Å; S410-D413 WeakPolarHBondContact O-CA 3.5Å; S410-D413 WeakPolarHBondContact O-CB 3.28Å; S410-D413 PolarHBondContact O-N 3.24Å; S410-S414 PolarHBondContact O-N 3.42Å
411Y70.9Confident60.5Low191 Ų191119.9 Ų119.975%0.74965%0.648SS**Hα-helixtrans-52.8-37.1172-178.5-107.3000111.5D413 S414 V415Y411-D413 VanDerWaalsContact C-N 3.28Å; Y411-D413 PolarHBondContact O-N 2.73Å; Y411-S414 PolarHBondContact O-N 2.95Å; Y411-V415 HydrophobicContact CD1-CG2 4.2Å; Y411-V415 HydrophobicContact CE1-CG2 3.81Å; Y411-V415 HydrophobicContact CE2-CG2 4.15Å; Y411-V415 WeakPolarHBondContact O-CG2 3.33Å; Y411-V415 PolarHBondContact O-N 3.37Å
412A71.9Confident60.7Low49 Ų49122.9 Ų122.941%0.40565%0.653SS.*Hα-helixtrans-65.6-23.5175.700000114.3S410 R416S410-A412 PolarHBondContact O-N 2.83Å; S410-A412 VanDerWaalsContact O-N 3.15Å; S410-A412 PolarHBondContact OG-N 3.32Å; A412-R416 PolarHBondContact O-N 3.04Å; A412-R416 PolarHBondContact O-NE 3.12Å; A412-R416 PolarHBondContact O-NH2 3.03Å; A412-R416 VanDerWaalsContact O-NH2 3.11Å
413D76.8Confident61.3Low61 Ų61122.1 Ų122.133%0.32665%0.654SS.*Hα-helixtrans-85.1-38.1173.3-64-48.1000111.1I409 S410 Y411 R416 R417I409-D413 HydrophobicContact CG2-CB 3.65Å; S410-D413 WeakPolarHBondContact CB-OD2 3.4Å; S410-D413 PolarHBondContact N-OD2 3.21Å; S410-D413 WeakPolarHBondContact O-CA 3.5Å; S410-D413 WeakPolarHBondContact O-CB 3.28Å; S410-D413 PolarHBondContact O-N 3.24Å; Y411-D413 VanDerWaalsContact C-N 3.28Å; Y411-D413 PolarHBondContact O-N 2.73Å; D413-R416 PolarHBondContact O-N 2.7Å; D413-R416 IonicContact OD1-CZ 3.69Å; D413-R416 VanDerWaalsContact OD1-CZ 3.25Å; D413-R416 IonicContact OD1-NH1 2.63Å; D413-R416 PolarHBondContact OD1-NH1 3.2Å; D413-R416 IonicContact OD1-NH2 2.67Å; D413-R416 PolarHBondContact OD1-NH2 3.45Å; D413-R417 PolarHBondContact O-N 2.82Å
414S73.3Confident61.4Low59 Ų59118.9 Ų118.941%0.41366%0.655SS.*Hα-helixtrans-61.2-44.2174-67.90000112S410 Y411 R417 A418S410-S414 PolarHBondContact O-N 3.42Å; Y411-S414 PolarHBondContact O-N 2.95Å; S414-R417 PolarHBondContact O-N 2.93Å; S414-A418 WeakPolarHBondContact O-CB 3.39Å; S414-A418 PolarHBondContact O-N 3.25Å
415V75.5Confident61.5Low78 Ų78122 Ų12247%0.47366%0.662SS.*Hα-helixtrans-63.6-41.4174.81730000111.4Y411 A418 G419Y411-V415 HydrophobicContact CD1-CG2 4.2Å; Y411-V415 HydrophobicContact CE1-CG2 3.81Å; Y411-V415 HydrophobicContact CE2-CG2 4.15Å; Y411-V415 WeakPolarHBondContact O-CG2 3.33Å; Y411-V415 PolarHBondContact O-N 3.37Å; V415-A418 PolarHBondContact O-N 2.78Å; V415-G419 PolarHBondContact O-N 3.2Å; V415-G419 VanDerWaalsContact O-N 3.13Å
416R77.1Confident61.4Low150 Ų150124 Ų12457%0.56667%0.669SS**Hα-helixtrans-65-39.1175.7-87.9177.3-75.8141.64.6112.8A412 D413 G419A412-R416 PolarHBondContact O-N 3.04Å; A412-R416 PolarHBondContact O-NE 3.12Å; A412-R416 PolarHBondContact O-NH2 3.03Å; A412-R416 VanDerWaalsContact O-NH2 3.11Å; D413-R416 PolarHBondContact O-N 2.7Å; D413-R416 IonicContact OD1-CZ 3.69Å; D413-R416 VanDerWaalsContact OD1-CZ 3.25Å; D413-R416 IonicContact OD1-NH1 2.63Å; D413-R416 PolarHBondContact OD1-NH1 3.2Å; D413-R416 IonicContact OD1-NH2 2.67Å; D413-R416 PolarHBondContact OD1-NH2 3.45Å; R416-G419 PolarHBondContact O-N 3.33Å
417R72.7Confident60.8Low176 Ų176127.7 Ų127.766%0.66468%0.676SS**Hα-helixtrans-65.4-42.8173.1-77-171.8174.9-151.8-1112.3D413 S414 G419 Q420D413-R417 PolarHBondContact O-N 2.82Å; S414-R417 PolarHBondContact O-N 2.93Å; R417-G419 VanDerWaalsContact C-N 3.25Å; R417-G419 PolarHBondContact O-N 2.83Å; R417-Q420 PolarHBondContact O-N 3.37Å
418A69.1Low59.5Low82 Ų82124.9 Ų124.968%0.67868%0.677SS**Hα-helixtrans-60.5-34.817800000112.6S414 V415 Q420S414-A418 WeakPolarHBondContact O-CB 3.39Å; S414-A418 PolarHBondContact O-N 3.25Å; V415-A418 PolarHBondContact O-N 2.78Å; A418-Q420 VanDerWaalsContact C-N 3.35Å; A418-Q420 PolarHBondContact O-N 2.88Å
419G65.8Low58.7Low70 Ų70123.2 Ų123.272%0.72267%0.674SS**THydrogen-bonded Turntrans-76.3-7.1178.900000116.6V415 R416 R417V415-G419 PolarHBondContact O-N 3.2Å; V415-G419 VanDerWaalsContact O-N 3.13Å; R416-G419 PolarHBondContact O-N 3.33Å; R417-G419 VanDerWaalsContact C-N 3.25Å; R417-G419 PolarHBondContact O-N 2.83Å
420Q58.3Low57.6Low165 Ų165125.6 Ų125.677%0.77169%0.692SS**THydrogen-bonded Turntrans-1112.7-173.1-74.3-168.7-5300115.5R417 A418R417-Q420 PolarHBondContact O-N 3.37Å; A418-Q420 VanDerWaalsContact C-N 3.35Å; A418-Q420 PolarHBondContact O-N 2.88Å
421V48.4Very low56Low112 Ų112128.6 Ų128.668%0.67971%0.707SS**  trans-112.466.6-173.8-169.20000112.1
422H43.9Very low55.1Low190 Ų190127.1 Ų127.188%0.8871%0.712SS**  trans-16763.9158.7-97.4-30.2000115.1
423T44.6Very low53.6Low146 Ų146131 Ų13190%0.89673%0.726SS**SBendtrans-142.4142.4150.343.40000109.9
424G40.2Very low52.5Low71 Ų71135.9 Ų135.973%0.73275%0.75SS**  trans90.674.4171.300000116.8
425F42.9Very low50.9Low214 Ų214139.6 Ų139.694%0.93977%0.766SS**  trans-138.1108148.7-113.9-79.2000110.2
426N39.6Very low49.6Very low163 Ų163141.3 Ų141.387%0.87278%0.781SS**  trans-74.1142.9175-76-41.9000110.6
427R37.9Very low48.3Very low243 Ų243143.2 Ų143.292%0.91779%0.794SS**  trans-143.5117.6160.9-150177.7-165.9-149.92.3110.1
428P37Very low47Very low124 Ų124144 Ų14481%0.80580%0.802SS**  trans-89.9151.1-176.935.1-34.5000112.1
429A42.6Very low46.2Very low93 Ų93147.1 Ų147.177%0.76981%0.813SS**  trans-157.5125.9164.600000112.4
430V45.9Very low45Very low138 Ų138150.8 Ų150.884%0.83682%0.816SS**  trans62.5128.3151.8-174.60000119.1
431V41Very low44.6Very low126 Ų126154.5 Ų154.576%0.76482%0.823SS**  trans-94.4140.1166.5171.80000108.6
432D53Low44.2Very low160 Ų160154.8 Ų154.886%0.85683%0.825SS**  trans-144.7149.1150.9-116.7-39.6000110.6
433N40.9Very low44.8Very low130 Ų130154 Ų15470%0.69582%0.824SS**  trans-146.5111.4-159.1178.815.2000112.5
434I52.6Low44.7Very low163 Ų163153.8 Ų153.884%0.83682%0.817SS**  trans-133.4129.1177.9-57.9-176.8000111.3
435N41Very low45.3Very low138 Ų138159.3 Ų159.374%0.73882%0.824SS**  trans-72.9154-178.6-65.9-84.8000113.8
436S46.5Very low45.2Very low114 Ų114156.2 Ų156.280%0.79782%0.817SS**  -160.4127.4125.8-89.70000116.2
437K50.7Low45.7Very low190 Ų190154.5 Ų154.583%0.82682%0.818SS**  trans7127.3146.8-65.8162-176.6171.50117.9
438K44.6Very low46Very low193 Ų193152.9 Ų152.984%0.83981%0.812SS**  77.6104.557.8-179.6-168.4174.11750114.1
439T51.9Low46.2Very low147 Ų147154.6 Ų154.690%0.90281%0.809SS**  -158.3151.9129.117.30000110.3
440D40.6Very low46.3Very low146 Ų146154.6 Ų154.678%0.78180%0.804SS**  trans-138143.8-179.5168.531.8000107.8
441R50.3Low46.3Very low243 Ų243157.1 Ų157.192%0.91781%0.806SS**  trans-175.8130.4164.7-110.9163.8-168.5-179.40.9113
442T40.4Very low46.3Very low119 Ų119159 Ų15973%0.7381%0.807SS**  trans-88.7161.8166.148.80000112
443M56.7Low46.1Very low173 Ų173157 Ų15785%0.85280%0.802SS**  trans-170.7149.7140.9-102.3-64.3131.700109.6
444D43.1Very low46Very low141 Ų141157 Ų15775%0.75480%0.803SS**  trans-88.2162-179.8-56.1-91.4000112.6
445E51.6Low45.6Very low187 Ų187154.2 Ų154.287%0.87480%0.798SS**  176166.5110.3-89.9-138.1100.600112.9
446N41.5Very low45.6Very low149 Ų149154.2 Ų154.280%0.79780%0.797SS**  trans-89.7152.7-178.3-63.4-82.1000112.7
447S49.3Very low45.3Very low128 Ų128157.2 Ų157.290%0.89580%0.796SS**  trans-162.8160.8137.5-87.70000112.3
448R43.8Very low45Very low209 Ų209154.8 Ų154.879%0.78979%0.788SS**  trans-108.7163.9-175.9-83.4174.7158.7168.6-8.1111.6
449E42.4Very low44.9Very low159 Ų159153.8 Ų153.874%0.74379%0.786SS**  trans67.3143.2147.4-75.6151.117000115.6
450S44.3Very low44.3Very low94 Ų94150.7 Ų150.766%0.65778%0.783SS**  cis-149.6176.78.7-71.40000112.2
451E45.4Very low44.2Very low190 Ų190151.3 Ų151.389%0.88879%0.787SS**  trans87.5145.4138.6-85.3152.9-130.800124.3
452Q41.6Very low44.4Very low165 Ų165144.4 Ų144.477%0.77177%0.773SS**  trans-83.1-167.9178.8-96.2-179.6-88.300111.7
453P48.1Very low44.8Very low118 Ų118147.9 Ų147.977%0.76678%0.778SS**  cis-137.7-166.29.529.1-2.3000116.8
454D40.1Very low44.6Very low132 Ų132146.6 Ų146.671%0.70678%0.78SS**  trans-76.2166.9-169.3-52.3-103.4000119.6
455S44.1Very low44.6Very low104 Ų104142.8 Ų142.873%0.72777%0.774SS**  trans104.6130.6132.178.10000122.5
456N40.8Very low44.5Very low137 Ų137142.1 Ų142.173%0.73378%0.776SS**  trans33.5130.4144.7-55.5-32000122
457F41Very low44.6Very low177 Ų177147 Ų14778%0.77678%0.783SS**  -179.2149.798.1-112-96.3000115.6
458Q42.6Very low44.4Very low140 Ų140145 Ų14565%0.65478%0.782SS**  trans12.1142.6156-75.7178.2-20.200126.6
459H43Very low44.4Very low171 Ų171147 Ų14779%0.79279%0.789SS**  trans59.6126.4134.6-59.5-43.4000123.2
460G39.4Very low44.7Very low82 Ų82147.5 Ų147.585%0.84580%0.796SS**  trans-169136.3161.100000113.2
461N38Very low44.7Very low160 Ų160148.3 Ų148.386%0.85680%0.799SS**  trans-134.8-166.4-177.5-144.5-6.9000107.2
462P54.9Low44.5Very low97 Ų97145.6 Ų145.663%0.6379%0.79SS**  cis-132.3179.6-32.641.2-26.3000114.1
463K50.2Low44.9Very low192 Ų192146.5 Ų146.584%0.83580%0.795SS**  trans179.5126.4137.1-98.8155.1-176.9174.50111.6
464V50.9Low45Very low146 Ų146147.5 Ų147.589%0.88579%0.794SS**  65.1126.187.8178.30000113.7
465G42.8Very low45.3Very low62 Ų62153 Ų15364%0.63980%0.804SS**  cis172.3-160.4-0.600000114.1
466L50.2Low45.3Very low173 Ų173151.5 Ų151.591%0.90681%0.806SS**  trans85.3113.6-176.5-53.4169.2000114.7
467R43.2Very low45.6Very low252 Ų252157.4 Ų157.495%0.95182%0.818SS**  cis8610943.3-80.6-160.9168.6-151.60.6115.8
468G46.5Very low45.8Very low85 Ų85152.9 Ų152.988%0.87682%0.821SS**  trans-169113160.800000112
469R43.1Very low46Very low250 Ų250152.6 Ų152.694%0.94384%0.835SS**  trans-125.5133.6175.3-89.9-175172.1-173.9-1.7108.9
470I47.8Very low46.1Very low170 Ų170148.1 Ų148.187%0.87283%0.834SS**  trans-145.4148.2146.6-69.5-163.8000107.7
471P45.7Very low46.2Very low111 Ų111147.8 Ų147.872%0.72183%0.831SS**  trans-118.7159.9-163.941.9-30.8000117.1
472N40.1Very low46.8Very low133 Ų133146.4 Ų146.471%0.71183%0.831SS**  trans21.3121.7138.8-176.540.1000120.6
473E51.6Low46.4Very low185 Ų185153.4 Ų153.486%0.86484%0.844SS**  trans-133.2147.1148.1-79.3-146135.100112.4
474N48.2Very low46.3Very low139 Ų139155.8 Ų155.874%0.74385%0.848SS**  trans-103.1131.2179.2-96.2-47.4000111.7
475R47.3Very low46.2Very low246 Ų246156.1 Ų156.193%0.92885%0.845SS**  trans175.7149.9150-93.8141.9-174-179.22.4108.5
476G43.6Very low46.4Very low74 Ų74159.6 Ų159.676%0.76385%0.854SS**  cis-172.7161.1-4.300000109.9
477R47.1Very low46.1Very low261 Ų261155 Ų15599%0.98585%0.848SS**  trans-72.3143.6-177.9-67.9179.8174.3-168.8-2112.2
478G45.7Very low46.6Very low82 Ų82152.2 Ų152.285%0.84585%0.846SS**  trans-146.5109.6165.500000111.1
479S47.2Very low46.5Very low134 Ų134160.5 Ų160.594%0.93785%0.851SS**  trans-130.9131.3175.3-179.80000109.3
480G44.4Very low46.6Very low76 Ų76152.4 Ų152.478%0.78485%0.845SS**  trans175.1130.5179.800000111.9
481G41.6Very low46.4Very low75 Ų75148.5 Ų148.577%0.77385%0.847SS**  trans-96.1-138169.700000111.1
482P50.6Low46.2Very low131 Ų131147 Ų14785%0.85185%0.852SS**  cis-138.8-166.2-2.942.7-24.1000114.6
483R46Very low46.4Very low244 Ų244144.4 Ų144.492%0.92186%0.856SS**  trans-42.5141.8178.7-62.8172.2168.3-172.5-4.8117.2
484R49.3Very low46.3Very low243 Ų243142.6 Ų142.692%0.91785%0.853SS**  trans-153.7152.3149.6-78.9-168.2178.8-173.30.1108.8
485N49Very low46.3Very low152 Ų152145.2 Ų145.281%0.81386%0.858SS**  cis-156.7168.2-29.6-159.316.7000108.9
486T46.1Very low46.3Very low135 Ų135137.3 Ų137.383%0.82885%0.852SS**  trans-102150.8-173.747.80000115.8
487G43.8Very low46.6Very low76 Ų76138 Ų13878%0.78485%0.851SS**  trans120.3148.9174.300000112
488Q53.1Low47Very low194 Ų194134.7 Ų134.791%0.90785%0.846SS**  cis-125.4157.7-0.8-59.8152.4-42.700107.2
489R45.4Very low47.5Very low259 Ų259137 Ų13798%0.97785%0.846SS**  cis818532.6-143.4-176.6-161.4-140.43.4116.8
490G45.4Very low47.9Very low80 Ų80134.4 Ų134.483%0.82584%0.841SS**  trans172.3141164.600000106.9
491G42.4Very low48.3Very low88 Ų88143 Ų14391%0.90785%0.849SS**  cis112.1120.912.200000109.9
492G42.7Very low48.4Very low80 Ų80143.2 Ų143.283%0.82585%0.851SS**  cis176.8162.5-600000111.5
493G44.1Very low48.5Very low78 Ų78140.5 Ų140.580%0.80485%0.847SS**  trans87.7161.9-17700000114.3
494N49.2Very low48.8Very low148 Ų148133.1 Ų133.179%0.79184%0.838SS**  cis-148.9176-0.8-154.432.7000112.5
495F47.4Very low48.8Very low194 Ų194129.7 Ų129.785%0.85183%0.832SS**  trans-66.5155.8-164.3-60.6-89.3000119.2
496G49Very low48.7Very low79 Ų79133.7 Ų133.781%0.81484%0.836SS**  trans-163.1129.3150.500000109.5
497A49.2Very low48.7Very low88 Ų88130.8 Ų130.873%0.72783%0.833SS**  trans-149149.5-166.500000114.5
498H54.6Low49.1Very low193 Ų193136.5 Ų136.589%0.89484%0.842SS**  trans-166.5129.4158.4-108.3-70.3000112.4
499P57.3Low48.7Very low130 Ų130133.4 Ų133.484%0.84484%0.836SS**  trans-134.7162.8172.740.2-26.6000116.5
500G55Low48.9Very low79 Ų79128 Ų12881%0.81483%0.833SS**  trans149.4157.4171.900000111.6
501R52.2Low48.9Very low257 Ų257127.7 Ų127.797%0.9782%0.822SS**  cis-171.1147.7-0.8178.9-170.1-174.7-162.13.5107.8
502G45.4Very low49Very low79 Ų79133.9 Ų133.981%0.81482%0.824SS**  cis159.159.7-6.500000116.4
503G52Low49.3Very low74 Ų74134.1 Ų134.176%0.76382%0.819SS**  trans-174.2144.1171.700000111.7
504A51.5Low49.4Very low89 Ų89139 Ų13974%0.73682%0.821SS**  cis101.9135.74300000110.8
505H49.9Very low49.5Very low171 Ų171137.8 Ų137.879%0.79282%0.821SS**  cis-151170.312-99.9-49000112.6
506R48Very low49.8Very low236 Ų236134.2 Ų134.289%0.89182%0.815SS**  trans23134.9153.4-58.2176.9-179.9177.9-0.3119.9
507G45.6Very low49.9Very low75 Ų75145 Ų14577%0.77383%0.833SS**  cis111.7120.50.200000114.7
508M51.3Low50Low195 Ų195147.9 Ų147.996%0.96184%0.839SS**  trans-160167.3161.2-118.3179.8-177.200111.4
509T44.2Very low49.7Very low129 Ų129145.5 Ų145.579%0.79184%0.836SS**  trans-139.2130.4-162.852.90000114.5
510T50Low49.3Very low147 Ų147146.3 Ų146.390%0.90284%0.835SS**  trans-171.8165150.225.60000109.2
511A45.6Very low49Very low73 Ų73150.3 Ų150.360%0.60384%0.837SS**  174.8117.8-5400000108.8
512F44.5Very low48.8Very low217 Ų217143.6 Ų143.695%0.95283%0.828SS**  trans61.9150.9171.2-69.6-92.4000116.1
513A50.4Low49Very low86 Ų86147.9 Ų147.971%0.71183%0.829SS**  cis-150.3171.73.600000111.2
514Q44.8Very low48.8Very low180 Ų180153.2 Ų153.284%0.84183%0.834SS**  trans-104.9163145.5-74.6-162.1-25.500109
515P52.4Low48.6Very low123 Ų123158.2 Ų158.280%0.79984%0.842SS**  -139.9167.2103.739.1-27.7000115.4
516T53.1Low48.5Very low119 Ų119157.1 Ų157.173%0.7385%0.846SS**  trans-46.5144.9172.750.10000116.6
517Y51.8Low48.5Very low305 Ų305149.9 Ų149.9100%1.19684%0.842SS**  -138.40122.7-116.9-79.2000109.7

Retrieved 517 of 517 residues in 1002.7 ms (Link to these results)

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