A0A087Y7W8_POEFO Loading...

QKI, KH domain containing, RNA binding 2

AlphaFold DB , UniProt , Accession A0A087Y7W8, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 349 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
1M38.8Very low50.3Low244 Ų244152.3 Ų152.3100%1.20279%0.79SS**  0119.80-73.8158.2163.700107.3
2V41.7Very low52.2Low142 Ų142152 Ų15286%0.86178%0.778SS**  trans-81129162179.30000105.4E4V2-E4 PolarHBondContact O-N 3.05Å
3G45.1Very low54.1Low63 Ų63142.8 Ų142.865%0.64974%0.736SS**  trans-68.1120.3176.100000109.3T5G3-T5 PolarHBondContact O-N 3.06Å
4E43.5Very low56.1Low194 Ų194138.5 Ų138.591%0.90772%0.715SS**  trans-63.1108.8169.5-66-178.715200107.6V2 E6V2-E4 PolarHBondContact O-N 3.05Å; E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.03Å
5T51.4Low57.9Low124 Ų124131.5 Ų131.576%0.76168%0.682SS**  trans-70.193.1174.450.80000107.8G3 V7G3-T5 PolarHBondContact O-N 3.06Å; T5-V7 PolarHBondContact O-N 2.65Å
6E45.3Very low59.7Low182 Ų182128.4 Ų128.485%0.8567%0.667SS**  trans-44.9110.6174.9-175.4179.7-139.400109.1E4 K8E4-E6 VanDerWaalsContact C-N 3.3Å; E4-E6 PolarHBondContact O-N 3.03Å; E6-K8 PolarHBondContact O-N 3.1Å
7V48.9Very low61.5Low132 Ų132124.2 Ų124.280%0.864%0.64SS**  trans-76.179.1-177.4-176.90000107.3T5 E9T5-V7 PolarHBondContact O-N 2.65Å; V7-E9 PolarHBondContact O-N 2.73Å
8K50.1Low63.1Low184 Ų184117.5 Ų117.580%0.861%0.606SS**  trans-44.4107.2-179.7-177.7174.4-177173.20109.5E6 R10E6-K8 PolarHBondContact O-N 3.1Å; K8-R10 PolarHBondContact O-N 3.32Å
9E58.5Low64.4Low164 Ų164113.6 Ų113.677%0.76659%0.585SS**PPolyproline II helixtrans-53.3128.1-172.8-71.7-160.8146.400109.8V7V7-E9 PolarHBondContact O-N 2.73Å
10R63.8Low65.7Low186 Ų186113.5 Ų113.570%0.70258%0.582SS**PPolyproline II helixtrans-66.2140.8177.6-64.8-171.1-177.1-1463.7108.8K8 K12K8-R10 PolarHBondContact O-N 3.32Å; R10-K12 PolarHBondContact O-N 2.78Å
11P66.6Low67Low60 Ų60108.5 Ų108.539%0.3956%0.556SS.*PPolyproline II helixtrans-56.5132.2179.423-33000110.3Y17 R51P11-Y17 HydrophobicContact CB-CD1 4.24Å; P11-Y17 HydrophobicContact CB-CE1 3.83Å; P11-Y17 HydrophobicContact CB-CE2 4.48Å; P11-Y17 HydrophobicContact CG-CD1 4.43Å; P11-Y17 HydrophobicContact CG-CE1 3.54Å; P11-Y17 HydrophobicContact CG-CE2 4.42Å; P11-Y17 WeakPolarHBondContact CG-OH 3.4Å; P11-R51 PolarHBondContact O-NH2 3.11Å
12K72.1Confident69.3Low149 Ų14997.3 Ų97.365%0.64850%0.501SS*.PPolyproline II helixtrans-61.2146.6-175.8-63.7-177.7-179.3179.80110.6R10 N14R10-K12 PolarHBondContact O-N 2.78Å; K12-N14 PolarHBondContact O-N 3.44Å
13S77Confident71.6Confident33 Ų3393.7 Ų93.723%0.23148%0.477CS..  trans-69.857.8-175.438.30000113.3D55 M56S13-D55 VanDerWaalsContact CB-CB 3.49Å; S13-M56 WeakPolarHBondContact O-CG 3.38Å
14N82.4Confident73.7Confident82 Ų8294 Ų9444%0.43946%0.464SS..  trans-89.3148-175.8-68-17.6000112.1K12 D16 Y17 L18K12-N14 PolarHBondContact O-N 3.44Å; N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.97Å; N14-Y17 PolarHBondContact O-N 2.59Å; N14-L18 PolarHBondContact O-N 2.78Å
15P84.1Confident75.9Confident34 Ų3488.5 Ų88.522%0.22144%0.435CS..Hα-helixtrans-61.9-36.1177.425.8-34.3000112.8Y17 L18 M19 M56 M197P15-Y17 VanDerWaalsContact C-N 3.31Å; P15-Y17 PolarHBondContact O-N 3.39Å; P15-L18 WeakPolarHBondContact O-CB 3Å; P15-L18 PolarHBondContact O-N 3.22Å; P15-M19 PolarHBondContact O-N 3.39Å; P15-M56 HydrophobicContact CB-CE 4.15Å; P15-M197 HydrophobicContact CB-CE 3.83Å; P15-M197 HydrophobicContact CB-SD 3.6Å; P15-M197 VanDerWaalsContact CB-SD 3.6Å; P15-M197 HydrophobicContact CG-SD 4.32Å
16D86.8Confident77.6Confident82 Ų8286.8 Ų86.844%0.43942%0.417SS..Hα-helixtrans-65.8-36.9179.4-38.8-31.5000111N14 M19 Q20N14-D16 VanDerWaalsContact C-N 3.29Å; N14-D16 PolarHBondContact O-N 2.97Å; D16-M19 WeakPolarHBondContact O-CB 3.19Å; D16-M19 PolarHBondContact O-N 3.06Å; D16-Q20 PolarHBondContact O-N 3.12Å
17Y90.3Very high79.6Confident57 Ų5782 Ų8222%0.22440%0.4CS..Hα-helixtrans-70.1-42.1175.2-176.4-128.3000111.2P11 N14 P15 M19 Q20 L21 E48 V52P11-Y17 HydrophobicContact CB-CD1 4.24Å; P11-Y17 HydrophobicContact CB-CE1 3.83Å; P11-Y17 HydrophobicContact CB-CE2 4.48Å; P11-Y17 HydrophobicContact CG-CD1 4.43Å; P11-Y17 HydrophobicContact CG-CE1 3.54Å; P11-Y17 HydrophobicContact CG-CE2 4.42Å; P11-Y17 WeakPolarHBondContact CG-OH 3.4Å; N14-Y17 PolarHBondContact O-N 2.59Å; P15-Y17 VanDerWaalsContact C-N 3.31Å; P15-Y17 PolarHBondContact O-N 3.39Å; Y17-M19 VanDerWaalsContact C-N 3.3Å; Y17-M19 PolarHBondContact O-N 3.3Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Y17-L21 HydrophobicContact CD1-CD1 4.02Å; Y17-L21 HydrophobicContact CD2-CG 4.34Å; Y17-L21 HydrophobicContact CE1-CD1 3.72Å; Y17-L21 HydrophobicContact CE1-CG 4.35Å; Y17-L21 HydrophobicContact CE2-CD1 4.29Å; Y17-L21 HydrophobicContact CE2-CD2 3.97Å; Y17-L21 HydrophobicContact CE2-CG 4.02Å; Y17-L21 HydrophobicContact CG-CD1 4.43Å; Y17-L21 WeakPolarHBondContact O-CG 3.43Å; Y17-L21 PolarHBondContact O-N 2.86Å; Y17-E48 HydrophobicContact CE1-CG 4.46Å; Y17-E48 PolarHBondContact OH-OE1 2.68Å; Y17-V52 HydrophobicContact CD1-CG2 3.84Å; Y17-V52 HydrophobicContact CE1-CG2 3.77Å
18L88.9Confident81.2Confident3 Ų377.6 Ų77.62%0.01637%0.371CS..Hα-helixtrans-58.9-41.3171.4-178.559.9000111.7N14 P15 M22 I49 V52 R53 M56N14-L18 PolarHBondContact O-N 2.78Å; P15-L18 WeakPolarHBondContact O-CB 3Å; P15-L18 PolarHBondContact O-N 3.22Å; L18-M22 HydrophobicContact CD1-CG 4.13Å; L18-M22 HydrophobicContact CD1-SD 3.7Å; L18-M22 HydrophobicContact CD2-SD 4.38Å; L18-M22 HydrophobicContact CG-SD 3.7Å; L18-M22 VanDerWaalsContact O-CB 3.3Å; L18-M22 WeakPolarHBondContact O-CB 3.42Å; L18-M22 WeakPolarHBondContact O-CG 3.49Å; L18-M22 PolarHBondContact O-N 3.05Å; L18-I49 HydrophobicContact CD1-CG2 4.16Å; L18-V52 HydrophobicContact CB-CG1 3.91Å; L18-V52 HydrophobicContact CD1-CG1 4.23Å; L18-R53 HydrophobicContact CD1-CG 4.09Å; L18-R53 HydrophobicContact CD2-CG 4.2Å; L18-M56 HydrophobicContact CD2-SD 3.98Å
19M89.3Confident82.7Confident44 Ų4471.8 Ų71.822%0.21735%0.354CS..Hα-helixtrans-61.5-43.6173.9174.4167.260.100112.2P15 D16 Y17 M22 N23 I201 Y206P15-M19 PolarHBondContact O-N 3.39Å; D16-M19 WeakPolarHBondContact O-CB 3.19Å; D16-M19 PolarHBondContact O-N 3.06Å; Y17-M19 VanDerWaalsContact C-N 3.3Å; Y17-M19 PolarHBondContact O-N 3.3Å; M19-M22 PolarHBondContact O-N 3.44Å; M19-N23 WeakPolarHBondContact O-CB 3.4Å; M19-N23 VanDerWaalsContact O-CG 3.29Å; M19-N23 PolarHBondContact O-N 3.39Å; M19-N23 PolarHBondContact O-ND2 3.35Å; M19-I201 HydrophobicContact CB-CD1 4.11Å; M19-I201 HydrophobicContact CB-CG1 4.22Å; M19-I201 HydrophobicContact CB-CG2 3.93Å; M19-I201 HydrophobicContact CG-CG2 4.08Å; M19-Y206 HydrophobicContact CE-CD1 4.17Å; M19-Y206 HydrophobicContact SD-CD1 3.97Å
20Q90.5Very high83.8Confident111 Ų11167.8 Ų67.852%0.51934%0.344SS..Hα-helixtrans-60.6-54.5176.3-175.6173.2-2.100111.2D16 Y17 M22 N23 D24D16-Q20 PolarHBondContact O-N 3.12Å; Y17-Q20 PolarHBondContact O-N 3.15Å; Q20-M22 PolarHBondContact O-N 3.18Å; Q20-N23 CarbonylContact O-C 3.57Å; Q20-N23 WeakPolarHBondContact O-CA 3.49Å; Q20-N23 PolarHBondContact O-N 3.18Å; Q20-D24 PolarHBondContact O-N 2.78Å
21L91.4Very high84.6Confident9 Ų962.3 Ų62.35%0.04733%0.328CS..Hα-helixtrans-55.7-39.5178.3-63.8168.8000112.2Y17 N23 D24 R25 L45 E48 I49 V52Y17-L21 HydrophobicContact CD1-CD1 4.02Å; Y17-L21 HydrophobicContact CD2-CG 4.34Å; Y17-L21 HydrophobicContact CE1-CD1 3.72Å; Y17-L21 HydrophobicContact CE1-CG 4.35Å; Y17-L21 HydrophobicContact CE2-CD1 4.29Å; Y17-L21 HydrophobicContact CE2-CD2 3.97Å; Y17-L21 HydrophobicContact CE2-CG 4.02Å; Y17-L21 HydrophobicContact CG-CD1 4.43Å; Y17-L21 WeakPolarHBondContact O-CG 3.43Å; Y17-L21 PolarHBondContact O-N 2.86Å; L21-N23 VanDerWaalsContact C-N 3.33Å; L21-D24 PolarHBondContact O-N 3.42Å; L21-R25 WeakPolarHBondContact O-CB 3.44Å; L21-R25 PolarHBondContact O-N 2.91Å; L21-L45 HydrophobicContact CB-CD1 4.06Å; L21-L45 HydrophobicContact CD2-CD1 3.5Å; L21-L45 HydrophobicContact CG-CD1 4.38Å; L21-E48 HydrophobicContact CD1-CG 3.9Å; L21-E48 HydrophobicContact CD2-CG 4.14Å; L21-I49 HydrophobicContact CB-CD1 4.16Å; L21-I49 HydrophobicContact CB-CG1 3.62Å; L21-I49 HydrophobicContact CD1-CG1 4.24Å; L21-V52 HydrophobicContact CD1-CG2 4Å
22M88.3Confident84.6Confident9 Ų964.7 Ų64.74%0.04434%0.344CS..Hα-helixtrans-73.5-22.2178.3-71.1175.265.800113.5L18 M19 Q20 K26 I49 E198 I201 L202L18-M22 HydrophobicContact CD1-CG 4.13Å; L18-M22 HydrophobicContact CD1-SD 3.7Å; L18-M22 HydrophobicContact CD2-SD 4.38Å; L18-M22 HydrophobicContact CG-SD 3.7Å; L18-M22 VanDerWaalsContact O-CB 3.3Å; L18-M22 WeakPolarHBondContact O-CB 3.42Å; L18-M22 WeakPolarHBondContact O-CG 3.49Å; L18-M22 PolarHBondContact O-N 3.05Å; M19-M22 PolarHBondContact O-N 3.44Å; Q20-M22 PolarHBondContact O-N 3.18Å; M22-K26 VanDerWaalsContact O-CG 3.29Å; M22-K26 WeakPolarHBondContact O-CG 3.2Å; M22-K26 PolarHBondContact O-N 3.31Å; M22-I49 HydrophobicContact CG-CD1 4.27Å; M22-E198 HydrophobicContact CE-CG 4.05Å; M22-E198 HydrophobicContact SD-CG 4.22Å; M22-I201 HydrophobicContact CB-CG2 4.36Å; M22-I201 HydrophobicContact CE-CG2 4.11Å; M22-I201 HydrophobicContact SD-CG2 4.06Å; M22-L202 HydrophobicContact CE-CD1 4.46Å; M22-L202 HydrophobicContact CE-CD2 3.36Å; M22-L202 HydrophobicContact CE-CG 3.54Å
23N89.3Confident84.2Confident65 Ų6563.7 Ų63.735%0.34835%0.345SS..Hα-helixtrans-82.5-41.9170.6-71.6-25.9000111.3M19 Q20 L21 R25 K26 V27M19-N23 WeakPolarHBondContact O-CB 3.4Å; M19-N23 VanDerWaalsContact O-CG 3.29Å; M19-N23 PolarHBondContact O-N 3.39Å; M19-N23 PolarHBondContact O-ND2 3.35Å; Q20-N23 CarbonylContact O-C 3.57Å; Q20-N23 WeakPolarHBondContact O-CA 3.49Å; Q20-N23 PolarHBondContact O-N 3.18Å; L21-N23 VanDerWaalsContact C-N 3.33Å; N23-R25 PolarHBondContact O-N 3.26Å; N23-K26 WeakPolarHBondContact O-CB 3.23Å; N23-K26 PolarHBondContact O-N 2.86Å; N23-K26 PolarHBondContact OD1-NZ 3.49Å; N23-V27 WeakPolarHBondContact O-CG2 3.44Å; N23-V27 PolarHBondContact O-N 3.38Å
24D89.8Confident83.4Confident70 Ų7066.6 Ų66.637%0.37435%0.354SS..Hα-helixtrans-57.1-40.1172.4-64.7-25.8000110.7Q20 L21 V27 M28 L45Q20-D24 PolarHBondContact O-N 2.78Å; L21-D24 PolarHBondContact O-N 3.42Å; D24-V27 PolarHBondContact O-N 3.1Å; D24-M28 WeakPolarHBondContact O-CG 3.46Å; D24-M28 PolarHBondContact O-N 3.4Å; D24-L45 HydrophobicContact CB-CD2 4.21Å
25R88.6Confident82.4Confident79 Ų7966.7 Ų66.730%0.29836%0.361SS..Hα-helixtrans-61.3-46.9173.3-172.6-178.9179.5147.920.5112.1L21 N23 V27 M28 S29 E42 L45 D46 I49L21-R25 WeakPolarHBondContact O-CB 3.44Å; L21-R25 PolarHBondContact O-N 2.91Å; N23-R25 PolarHBondContact O-N 3.26Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 3.39Å; R25-M28 PolarHBondContact O-N 3.41Å; R25-S29 PolarHBondContact O-N 2.95Å; R25-S29 PolarHBondContact O-OG 3.34Å; R25-E42 IonicContact NH2-OE1 2.91Å; R25-L45 HydrophobicContact CB-CD2 3.66Å; R25-L45 HydrophobicContact CB-CG 4.49Å; R25-L45 HydrophobicContact CG-CD2 4.37Å; R25-D46 IonicContact CZ-OD1 3.02Å; R25-D46 IonicContact CZ-OD2 2.78Å; R25-D46 IonicContact NE-OD1 3.79Å; R25-D46 PolarHBondContact NE-OD1 3.46Å; R25-D46 IonicContact NH1-OD1 3.95Å; R25-D46 PolarHBondContact NH1-OD1 2.8Å; R25-D46 IonicContact NH1-OD2 2.8Å; R25-D46 PolarHBondContact NH1-OD2 3.49Å; R25-D46 VanDerWaalsContact NH2-CG 3.29Å; R25-D46 IonicContact NH2-OD1 2.75Å; R25-D46 PolarHBondContact NH2-OD1 3.08Å; R25-D46 IonicContact NH2-OD2 2.76Å; R25-D46 PolarHBondContact NH2-OD2 3.31Å; R25-I49 HydrophobicContact CB-CD1 4.19Å
26K87.3Confident81.5Confident87 Ų8767.5 Ų67.538%0.37838%0.375SS..Hα-helixtrans-58-42.6176.3-70.6165-166.9165.50110.4M22 N23 S30 I201M22-K26 VanDerWaalsContact O-CG 3.29Å; M22-K26 WeakPolarHBondContact O-CG 3.2Å; M22-K26 PolarHBondContact O-N 3.31Å; N23-K26 WeakPolarHBondContact O-CB 3.23Å; N23-K26 PolarHBondContact O-N 2.86Å; N23-K26 PolarHBondContact OD1-NZ 3.49Å; K26-S30 WeakPolarHBondContact O-CB 3.35Å; K26-S30 PolarHBondContact O-N 2.94Å; K26-S30 PolarHBondContact O-OG 2.93Å; K26-I201 PolarHBondContact NZ-O 3.02Å
27V87.8Confident81Confident82 Ų8268.7 Ų68.750%0.49738%0.381SS..Hα-helixtrans-62.6-54.2177.4174.40000110.6N23 D24 R25 S29 S30 L31N23-V27 WeakPolarHBondContact O-CG2 3.44Å; N23-V27 PolarHBondContact O-N 3.38Å; D24-V27 PolarHBondContact O-N 3.1Å; R25-V27 VanDerWaalsContact C-N 3.27Å; R25-V27 PolarHBondContact O-N 3.39Å; V27-S29 PolarHBondContact O-N 2.82Å; V27-S30 PolarHBondContact O-N 3.36Å; V27-S30 PolarHBondContact O-OG 2.82Å; V27-L31 HydrophobicContact CG1-CD1 4.26Å; V27-L31 WeakPolarHBondContact O-CG 3.34Å; V27-L31 PolarHBondContact O-N 2.94Å
28M82.6Confident80.4Confident40 Ų4070.8 Ų70.820%0.19739%0.391CS..Hα-helixtrans-58.3-46.3-179.1-67.4-154-50.900112.8D24 R25 S30 L41 E42 L45D24-M28 WeakPolarHBondContact O-CG 3.46Å; D24-M28 PolarHBondContact O-N 3.4Å; R25-M28 PolarHBondContact O-N 3.41Å; M28-S30 PolarHBondContact O-N 3.36Å; M28-L41 HydrophobicContact CE-CB 4.46Å; M28-L41 HydrophobicContact CE-CG 4.11Å; M28-L41 HydrophobicContact SD-CB 4.34Å; M28-L41 HydrophobicContact SD-CD2 3.52Å; M28-L41 VanDerWaalsContact SD-CD2 3.52Å; M28-L41 HydrophobicContact SD-CG 3.72Å; M28-E42 HydrophobicContact CE-CB 4.31Å; M28-L45 HydrophobicContact CE-CB 4.17Å; M28-L45 HydrophobicContact CE-CD2 3.6Å
29S82.3Confident80.2Confident62 Ų6274.1 Ų74.143%0.43441%0.412SS..Hα-helixtrans-71.2-16.2178-53.10000113.6R25 V27R25-S29 PolarHBondContact O-N 2.95Å; R25-S29 PolarHBondContact O-OG 3.34Å; V27-S29 PolarHBondContact O-N 2.82Å
30S81.7Confident80.1Confident80 Ų8078.6 Ų78.656%0.55943%0.432SS*.Hα-helixtrans-85.9-18.5179.3720000114.6K26 V27 M28 P32K26-S30 WeakPolarHBondContact O-CB 3.35Å; K26-S30 PolarHBondContact O-N 2.94Å; K26-S30 PolarHBondContact O-OG 2.93Å; V27-S30 PolarHBondContact O-N 3.36Å; V27-S30 PolarHBondContact O-OG 2.82Å; M28-S30 PolarHBondContact O-N 3.36Å; S30-P32 VanDerWaalsContact O-CD 3.28Å; S30-P32 WeakPolarHBondContact O-CD 3.2Å
31L79.5Confident80Confident70 Ų7077.3 Ų77.337%0.36643%0.428SS..  trans-81.1108-174.1-73.6166.8000110.8V27 N33 F34 S35V27-L31 HydrophobicContact CG1-CD1 4.26Å; V27-L31 WeakPolarHBondContact O-CG 3.34Å; V27-L31 PolarHBondContact O-N 2.94Å; L31-N33 PolarHBondContact O-N 3.38Å; L31-N33 VanDerWaalsContact O-N 3.17Å; L31-F34 HydrophobicContact CB-CB 4Å; L31-F34 HydrophobicContact CB-CD2 4.05Å; L31-F34 HydrophobicContact CD1-CD2 4.07Å; L31-F34 HydrophobicContact CG-CD2 4.48Å; L31-F34 PolarHBondContact O-N 3.49Å; L31-S35 PolarHBondContact O-N 2.88Å
32P67.4Low79.8Confident111 Ų11180.2 Ų80.272%0.72144%0.441SS*.THydrogen-bonded Turntrans-64.6-28.5-17126.6-35.4000113S30S30-P32 VanDerWaalsContact O-CD 3.28Å; S30-P32 WeakPolarHBondContact O-CD 3.2Å
33N63.2Low79.9Confident128 Ų12885.2 Ų85.268%0.68446%0.46SS*.THydrogen-bonded Turntrans-88.2-5.8-179.4-61.64.6000113.5L31 I37L31-N33 PolarHBondContact O-N 3.38Å; L31-N33 VanDerWaalsContact O-N 3.17Å; N33-I37 WeakPolarHBondContact O-CD1 3.44Å
34F60.7Low80Confident93 Ų9386.4 Ų86.441%0.40847%0.466SS..THydrogen-bonded Turntrans-123.2-14.5-176.9-67.7-69.2000113.8L31 G36 I37 F38L31-F34 HydrophobicContact CB-CB 4Å; L31-F34 HydrophobicContact CB-CD2 4.05Å; L31-F34 HydrophobicContact CD1-CD2 4.07Å; L31-F34 HydrophobicContact CG-CD2 4.48Å; L31-F34 PolarHBondContact O-N 3.49Å; F34-G36 PolarHBondContact O-N 2.8Å; F34-G36 VanDerWaalsContact O-N 3.16Å; F34-I37 HydrophobicContact CD1-CD1 4.24Å; F34-I37 PolarHBondContact O-N 3.01Å; F34-F38 HydrophobicContact CB-CD2 4.13Å; F34-F38 HydrophobicContact CB-CE2 4.13Å; F34-F38 HydrophobicContact CD1-CD2 4.08Å; F34-F38 AromaticContact CD1-CE2 3.33Å; F34-F38 HydrophobicContact CD1-CE2 3.33Å; F34-F38 AromaticContact CD1-CZ 3.93Å; F34-F38 HydrophobicContact CD1-CZ 3.93Å; F34-F38 AromaticContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CZ 4.14Å; F34-F38 HydrophobicContact CG-CD2 4.42Å; F34-F38 AromaticContact CG-CE2 3.91Å; F34-F38 HydrophobicContact CG-CE2 3.91Å
35S61.5Low80Confident84 Ų8484.1 Ų84.159%0.58745%0.453SS*.THydrogen-bonded Turntrans-50.9117.1167-174.90000110.5L31 I37L31-S35 PolarHBondContact O-N 2.88Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 2.88Å
36G64.2Low80.1Confident51 Ų5183 Ų8353%0.52645%0.453SS..THydrogen-bonded Turntrans81.1-6.1-176.800000116.6F34 T39F34-G36 PolarHBondContact O-N 2.8Å; F34-G36 VanDerWaalsContact O-N 3.16Å; G36-T39 WeakPolarHBondContact O-CG2 3.21Å
37I76.2Confident80.3Confident107 Ų10783.4 Ų83.455%0.54946%0.456SS..THydrogen-bonded Turntrans-78.3-49170-62.2-168.9000110N33 F34 S35 T39N33-I37 WeakPolarHBondContact O-CD1 3.44Å; F34-I37 HydrophobicContact CD1-CD1 4.24Å; F34-I37 PolarHBondContact O-N 3.01Å; S35-I37 VanDerWaalsContact C-N 3.33Å; S35-I37 PolarHBondContact O-N 2.88Å; I37-T39 VanDerWaalsContact C-N 3.34Å; I37-T39 PolarHBondContact O-N 3.41Å
38F78.9Confident80.4Confident101 Ų10181.3 Ų81.344%0.44344%0.441SS..  trans-94.446.5-175.2-59.4-58.9000113.3F34 H40 L41 E42F34-F38 HydrophobicContact CB-CD2 4.13Å; F34-F38 HydrophobicContact CB-CE2 4.13Å; F34-F38 HydrophobicContact CD1-CD2 4.08Å; F34-F38 AromaticContact CD1-CE2 3.33Å; F34-F38 HydrophobicContact CD1-CE2 3.33Å; F34-F38 AromaticContact CD1-CZ 3.93Å; F34-F38 HydrophobicContact CD1-CZ 3.93Å; F34-F38 AromaticContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CE2 3.91Å; F34-F38 HydrophobicContact CE1-CZ 4.14Å; F34-F38 HydrophobicContact CG-CD2 4.42Å; F34-F38 AromaticContact CG-CE2 3.91Å; F34-F38 HydrophobicContact CG-CE2 3.91Å; F38-H40 PolarHBondContact O-N 3.35Å; F38-H40 VanDerWaalsContact O-N 3.16Å; F38-L41 HydrophobicContact CB-CB 3.82Å; F38-L41 HydrophobicContact CB-CD2 4.35Å; F38-L41 HydrophobicContact CG-CD2 4.47Å; F38-L41 WeakPolarHBondContact O-CB 3.38Å; F38-L41 PolarHBondContact O-N 3.12Å; F38-E42 PolarHBondContact O-N 2.86Å
39T84.3Confident80.8Confident73 Ų7379.5 Ų79.545%0.44843%0.433SS..Hα-helixtrans-52-39.4-179.456.50000113.3G36 I37 R43G36-T39 WeakPolarHBondContact O-CG2 3.21Å; I37-T39 VanDerWaalsContact C-N 3.34Å; I37-T39 PolarHBondContact O-N 3.41Å; T39-R43 WeakPolarHBondContact O-CB 3.38Å; T39-R43 PolarHBondContact O-N 3.18Å
40H87.3Confident81.1Confident138 Ų13878.1 Ų78.164%0.63943%0.428SS*.Hα-helixtrans-70.9-31.3176.7-62.3-39.1000113.4F38 L44F38-H40 PolarHBondContact O-N 3.35Å; F38-H40 VanDerWaalsContact O-N 3.16Å; H40-L44 WeakPolarHBondContact O-CB 3.15Å; H40-L44 VanDerWaalsContact O-CG 3.22Å; H40-L44 WeakPolarHBondContact O-CG 3.2Å; H40-L44 PolarHBondContact O-N 3.29Å
41L87.7Confident81.4Confident85 Ų8576.7 Ų76.745%0.44541%0.41SS..Hα-helixtrans-77-39.3177.7-166.260.4000111M28 F38 L44 L45M28-L41 HydrophobicContact CE-CB 4.46Å; M28-L41 HydrophobicContact CE-CG 4.11Å; M28-L41 HydrophobicContact SD-CB 4.34Å; M28-L41 HydrophobicContact SD-CD2 3.52Å; M28-L41 VanDerWaalsContact SD-CD2 3.52Å; M28-L41 HydrophobicContact SD-CG 3.72Å; F38-L41 HydrophobicContact CB-CB 3.82Å; F38-L41 HydrophobicContact CB-CD2 4.35Å; F38-L41 HydrophobicContact CG-CD2 4.47Å; F38-L41 WeakPolarHBondContact O-CB 3.38Å; F38-L41 PolarHBondContact O-N 3.12Å; L41-L44 PolarHBondContact O-N 3.48Å; L41-L45 WeakPolarHBondContact O-CB 3.41Å; L41-L45 PolarHBondContact O-N 3.32Å
42E87.4Confident81.9Confident69 Ų6973.4 Ų73.432%0.32239%0.393SS..Hα-helixtrans-61.5-44.1170.9-175.4170.9-156.300111R25 M28 F38 L45 D46R25-E42 IonicContact NH2-OE1 2.91Å; M28-E42 HydrophobicContact CE-CB 4.31Å; F38-E42 PolarHBondContact O-N 2.86Å; E42-L45 PolarHBondContact O-N 2.95Å; E42-D46 WeakPolarHBondContact O-CB 3.47Å; E42-D46 PolarHBondContact O-N 3.11Å
43R90Very high82.8Confident115 Ų11569.5 Ų69.543%0.43436%0.364SS..Hα-helixtrans-59.1-48173.3-174.6-165.564.687.310.9112.3T39 L45 D46 E47T39-R43 WeakPolarHBondContact O-CB 3.38Å; T39-R43 PolarHBondContact O-N 3.18Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.34Å; R43-D46 PolarHBondContact O-N 3.15Å; R43-E47 WeakPolarHBondContact CD-OE1 3.42Å; R43-E47 VanDerWaalsContact CG-OE1 3.32Å; R43-E47 WeakPolarHBondContact CG-OE1 3.5Å; R43-E47 IonicContact CZ-OE1 3.9Å; R43-E47 IonicContact CZ-OE2 3.9Å; R43-E47 IonicContact NE-OE1 3.11Å; R43-E47 IonicContact NH1-OE1 3.55Å; R43-E47 PolarHBondContact NH1-OE1 3.24Å; R43-E47 IonicContact NH1-OE2 3.48Å; R43-E47 PolarHBondContact NH1-OE2 3.03Å; R43-E47 IonicContact NH2-OE2 2.65Å; R43-E47 WeakPolarHBondContact O-CB 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.88Å
44L91.7Very high83.8Confident90 Ų9066.6 Ų66.647%0.47135%0.345SS..Hα-helixtrans-62-38.5178.7-77.2168.3000112H40 L41 E47 E48H40-L44 WeakPolarHBondContact O-CB 3.15Å; H40-L44 VanDerWaalsContact O-CG 3.22Å; H40-L44 WeakPolarHBondContact O-CG 3.2Å; H40-L44 PolarHBondContact O-N 3.29Å; L41-L44 PolarHBondContact O-N 3.48Å; L44-E47 PolarHBondContact O-N 3.43Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.92Å
45L90.9Very high85Confident21 Ų2164.4 Ų64.411%0.1134%0.338CS..Hα-helixtrans-70.4-38.2177.3-170.563.3000111.9L21 D24 R25 M28 L41 E42 R43 E48 I49L21-L45 HydrophobicContact CB-CD1 4.06Å; L21-L45 HydrophobicContact CD2-CD1 3.5Å; L21-L45 HydrophobicContact CG-CD1 4.38Å; D24-L45 HydrophobicContact CB-CD2 4.21Å; R25-L45 HydrophobicContact CB-CD2 3.66Å; R25-L45 HydrophobicContact CB-CG 4.49Å; R25-L45 HydrophobicContact CG-CD2 4.37Å; M28-L45 HydrophobicContact CE-CB 4.17Å; M28-L45 HydrophobicContact CE-CD2 3.6Å; L41-L45 WeakPolarHBondContact O-CB 3.41Å; L41-L45 PolarHBondContact O-N 3.32Å; E42-L45 PolarHBondContact O-N 2.95Å; R43-L45 VanDerWaalsContact C-N 3.3Å; R43-L45 PolarHBondContact O-N 3.34Å; L45-E48 PolarHBondContact O-N 3.19Å; L45-I49 HydrophobicContact CD1-CD1 4.46Å; L45-I49 HydrophobicContact CG-CD1 3.98Å; L45-I49 VanDerWaalsContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.43Å
46D89.8Confident86Confident56 Ų5661.3 Ų61.330%0.29931%0.314SS..Hα-helixtrans-66.1-37.3173.6-9039.3000112.7R25 E42 R43 G50R25-D46 IonicContact CZ-OD1 3.02Å; R25-D46 IonicContact CZ-OD2 2.78Å; R25-D46 IonicContact NE-OD1 3.79Å; R25-D46 PolarHBondContact NE-OD1 3.46Å; R25-D46 IonicContact NH1-OD1 3.95Å; R25-D46 PolarHBondContact NH1-OD1 2.8Å; R25-D46 IonicContact NH1-OD2 2.8Å; R25-D46 PolarHBondContact NH1-OD2 3.49Å; R25-D46 VanDerWaalsContact NH2-CG 3.29Å; R25-D46 IonicContact NH2-OD1 2.75Å; R25-D46 PolarHBondContact NH2-OD1 3.08Å; R25-D46 IonicContact NH2-OD2 2.76Å; R25-D46 PolarHBondContact NH2-OD2 3.31Å; E42-D46 WeakPolarHBondContact O-CB 3.47Å; E42-D46 PolarHBondContact O-N 3.11Å; R43-D46 PolarHBondContact O-N 3.15Å; D46-G50 PolarHBondContact O-N 2.96Å
47E90.6Very high86.7Confident95 Ų9560.3 Ų60.344%0.44430%0.295SS..Hα-helixtrans-67.2-42.3174-76.6168-170.800111.7R43 L44 G50 R51R43-E47 WeakPolarHBondContact CD-OE1 3.42Å; R43-E47 VanDerWaalsContact CG-OE1 3.32Å; R43-E47 WeakPolarHBondContact CG-OE1 3.5Å; R43-E47 IonicContact CZ-OE1 3.9Å; R43-E47 IonicContact CZ-OE2 3.9Å; R43-E47 IonicContact NE-OE1 3.11Å; R43-E47 IonicContact NH1-OE1 3.55Å; R43-E47 PolarHBondContact NH1-OE1 3.24Å; R43-E47 IonicContact NH1-OE2 3.48Å; R43-E47 PolarHBondContact NH1-OE2 3.03Å; R43-E47 IonicContact NH2-OE2 2.65Å; R43-E47 WeakPolarHBondContact O-CB 3.47Å; R43-E47 WeakPolarHBondContact O-CG 3.29Å; R43-E47 PolarHBondContact O-N 2.88Å; L44-E47 PolarHBondContact O-N 3.43Å; E47-G50 PolarHBondContact O-N 3.33Å; E47-R51 WeakPolarHBondContact O-CB 3.2Å; E47-R51 PolarHBondContact O-N 3.19Å
48E91.1Very high86.7Confident39 Ų3957.9 Ų57.918%0.18228%0.283CS..Hα-helixtrans-70.5-41.3177.3-173.267.7173.700112.2Y17 L21 L44 L45 G50 R51 V52Y17-E48 HydrophobicContact CE1-CG 4.46Å; Y17-E48 PolarHBondContact OH-OE1 2.68Å; L21-E48 HydrophobicContact CD1-CG 3.9Å; L21-E48 HydrophobicContact CD2-CG 4.14Å; L44-E48 WeakPolarHBondContact O-CB 3.44Å; L44-E48 PolarHBondContact O-N 2.92Å; L45-E48 PolarHBondContact O-N 3.19Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 3.36Å; E48-R51 PolarHBondContact O-N 2.93Å; E48-R51 IonicContact OE1-CZ 3.97Å; E48-R51 IonicContact OE1-NH1 3.53Å; E48-R51 PolarHBondContact OE1-NH1 3.14Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 IonicContact OE2-CZ 2.87Å; E48-R51 IonicContact OE2-NH1 2.8Å; E48-R51 PolarHBondContact OE2-NH1 3.44Å; E48-V52 WeakPolarHBondContact O-CB 3.33Å; E48-V52 WeakPolarHBondContact O-CG2 3.45Å; E48-V52 PolarHBondContact O-N 2.93Å
49I90.4Very high86.4Confident2 Ų257.5 Ų57.51%0.0129%0.286CS..Hα-helixtrans-60.3-40.9170.9-71.6167.9000110.5L18 L21 M22 R25 L45 R53L18-I49 HydrophobicContact CD1-CG2 4.16Å; L21-I49 HydrophobicContact CB-CD1 4.16Å; L21-I49 HydrophobicContact CB-CG1 3.62Å; L21-I49 HydrophobicContact CD1-CG1 4.24Å; M22-I49 HydrophobicContact CG-CD1 4.27Å; R25-I49 HydrophobicContact CB-CD1 4.19Å; L45-I49 HydrophobicContact CD1-CD1 4.46Å; L45-I49 HydrophobicContact CG-CD1 3.98Å; L45-I49 VanDerWaalsContact O-CB 3.31Å; L45-I49 WeakPolarHBondContact O-CB 3.29Å; L45-I49 WeakPolarHBondContact O-CD1 3.46Å; L45-I49 WeakPolarHBondContact O-CG1 3.45Å; L45-I49 PolarHBondContact O-N 3.43Å; I49-R53 WeakPolarHBondContact O-CB 3.26Å; I49-R53 WeakPolarHBondContact O-CG 3.5Å; I49-R53 PolarHBondContact O-N 2.99Å; I49-R53 VanDerWaalsContact O-N 3.08Å
50G88.8Confident85.5Confident33 Ų3356.6 Ų56.634%0.3428%0.28SS..Hα-helixtrans-61.9-44.717500000112.3D46 E47 E48 K54D46-G50 PolarHBondContact O-N 2.96Å; E47-G50 PolarHBondContact O-N 3.33Å; E48-G50 VanDerWaalsContact C-N 3.28Å; E48-G50 PolarHBondContact O-N 3.36Å; G50-K54 VanDerWaalsContact O-CB 3.3Å; G50-K54 WeakPolarHBondContact O-CB 3.4Å; G50-K54 PolarHBondContact O-N 3.32Å
51R88.9Confident84.2Confident50 Ų5053.2 Ų53.219%0.18927%0.266CS..Hα-helixtrans-63.8-54.3176.9-159.9-150.381.3-142.52.3111.6P11 E47 E48 R53 K54 D55P11-R51 PolarHBondContact O-NH2 3.11Å; E47-R51 WeakPolarHBondContact O-CB 3.2Å; E47-R51 PolarHBondContact O-N 3.19Å; E48-R51 PolarHBondContact O-N 2.93Å; E48-R51 IonicContact OE1-CZ 3.97Å; E48-R51 IonicContact OE1-NH1 3.53Å; E48-R51 PolarHBondContact OE1-NH1 3.14Å; E48-R51 IonicContact OE1-NH2 2.7Å; E48-R51 IonicContact OE2-CZ 2.87Å; E48-R51 IonicContact OE2-NH1 2.8Å; E48-R51 PolarHBondContact OE2-NH1 3.44Å; R51-R53 VanDerWaalsContact C-N 3.3Å; R51-R53 PolarHBondContact O-N 2.97Å; R51-K54 CarbonylContact O-C 3.57Å; R51-K54 WeakPolarHBondContact O-CA 3.45Å; R51-K54 WeakPolarHBondContact O-CB 2.95Å; R51-K54 PolarHBondContact O-N 3.39Å; R51-D55 IonicContact CZ-OD2 2.64Å; R51-D55 IonicContact NE-OD2 2.71Å; R51-D55 PolarHBondContact NE-OD2 2.78Å; R51-D55 IonicContact NH2-OD2 3.23Å; R51-D55 PolarHBondContact NH2-OD2 2.86Å; R51-D55 PolarHBondContact O-N 2.84Å
52V88.7Confident82.6Confident0 Ų052.6 Ų52.60%026%0.263CS..Hα-helixtrans-57.9-41.8-178.6171.40000111.5Y17 L18 L21 E48 M56Y17-V52 HydrophobicContact CD1-CG2 3.84Å; Y17-V52 HydrophobicContact CE1-CG2 3.77Å; L18-V52 HydrophobicContact CB-CG1 3.91Å; L18-V52 HydrophobicContact CD1-CG1 4.23Å; L21-V52 HydrophobicContact CD1-CG2 4Å; E48-V52 WeakPolarHBondContact O-CB 3.33Å; E48-V52 WeakPolarHBondContact O-CG2 3.45Å; E48-V52 PolarHBondContact O-N 2.93Å; V52-M56 HydrophobicContact CG1-SD 4.03Å; V52-M56 VanDerWaalsContact O-CG 3.24Å; V52-M56 WeakPolarHBondContact O-CG 3.46Å; V52-M56 PolarHBondContact O-N 3.24Å; V52-M56 VanDerWaalsContact O-N 3.12Å
53R86.9Confident80.8Confident29 Ų2952.5 Ų52.511%0.10928%0.281CS..Hα-helixtrans-60.7-48.5171.6-78.2-179.2175.7126.58.6112.1L18 I49 R51 D55 M56 Y57 E198L18-R53 HydrophobicContact CD1-CG 4.09Å; L18-R53 HydrophobicContact CD2-CG 4.2Å; I49-R53 WeakPolarHBondContact O-CB 3.26Å; I49-R53 WeakPolarHBondContact O-CG 3.5Å; I49-R53 PolarHBondContact O-N 2.99Å; I49-R53 VanDerWaalsContact O-N 3.08Å; R51-R53 VanDerWaalsContact C-N 3.3Å; R51-R53 PolarHBondContact O-N 2.97Å; R53-D55 VanDerWaalsContact C-N 3.34Å; R53-D55 PolarHBondContact O-N 2.95Å; R53-M56 PolarHBondContact O-N 3.39Å; R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.35Å; R53-Y57 PolarHBondContact O-N 3.28Å; R53-E198 IonicContact CZ-OE1 3.35Å; R53-E198 VanDerWaalsContact CZ-OE1 3.23Å; R53-E198 IonicContact CZ-OE2 2.67Å; R53-E198 VanDerWaalsContact NE-CD 3.26Å; R53-E198 IonicContact NE-OE1 3.88Å; R53-E198 PolarHBondContact NE-OE1 3.23Å; R53-E198 VanDerWaalsContact NE-OE1 3.16Å; R53-E198 IonicContact NE-OE2 2.67Å; R53-E198 PolarHBondContact NE-OE2 3.25Å; R53-E198 IonicContact NH2-OE1 3.39Å; R53-E198 PolarHBondContact NH2-OE1 2.89Å; R53-E198 IonicContact NH2-OE2 3.16Å
54K85Confident78.5Confident68 Ų6849.5 Ų49.530%0.29629%0.286SS..Hα-helixtrans-60.3-42.8179.9-179.9167.7-172.5160.20112.3G50 R51 Y57 N58 E118G50-K54 VanDerWaalsContact O-CB 3.3Å; G50-K54 WeakPolarHBondContact O-CB 3.4Å; G50-K54 PolarHBondContact O-N 3.32Å; R51-K54 CarbonylContact O-C 3.57Å; R51-K54 WeakPolarHBondContact O-CA 3.45Å; R51-K54 WeakPolarHBondContact O-CB 2.95Å; R51-K54 PolarHBondContact O-N 3.39Å; K54-Y57 PolarHBondContact O-N 2.83Å; K54-N58 VanDerWaalsContact CG-ND2 3.34Å; K54-N58 WeakPolarHBondContact CG-ND2 3.11Å; K54-N58 WeakPolarHBondContact O-CB 3.38Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.06Å; K54-N58 PolarHBondContact O-ND2 2.99Å; K54-E118 VanDerWaalsContact CD-OE1 3.31Å; K54-E118 WeakPolarHBondContact CD-OE1 3.39Å; K54-E118 WeakPolarHBondContact CE-OE1 3.08Å; K54-E118 WeakPolarHBondContact CE-OE2 3.25Å; K54-E118 VanDerWaalsContact NZ-CD 3.28Å; K54-E118 IonicContact NZ-OE1 2.68Å; K54-E118 IonicContact NZ-OE2 3.61Å; K54-E118 PolarHBondContact NZ-OE2 2.87Å
55D84.7Confident75.9Confident47 Ų4753 Ų5325%0.25130%0.302SS..Hα-helixtrans-57.7-55.9176-58.8-21.7000109.5S13 R51 R53 Y57 N58 D59S13-D55 VanDerWaalsContact CB-CB 3.49Å; R51-D55 IonicContact CZ-OD2 2.64Å; R51-D55 IonicContact NE-OD2 2.71Å; R51-D55 PolarHBondContact NE-OD2 2.78Å; R51-D55 IonicContact NH2-OD2 3.23Å; R51-D55 PolarHBondContact NH2-OD2 2.86Å; R51-D55 PolarHBondContact O-N 2.84Å; R53-D55 VanDerWaalsContact C-N 3.34Å; R53-D55 PolarHBondContact O-N 2.95Å; D55-Y57 VanDerWaalsContact C-N 3.29Å; D55-Y57 PolarHBondContact O-N 3.28Å; D55-N58 PolarHBondContact O-N 3.04Å; D55-D59 PolarHBondContact O-N 2.88Å
56M82.3Confident73.5Confident18 Ų1858.3 Ų58.39%0.08932%0.324CS..Hα-helixtrans-59.3-33.4177.6-65.9173.176.700114.1S13 P15 L18 V52 R53 T60 M194 M197S13-M56 WeakPolarHBondContact O-CG 3.38Å; P15-M56 HydrophobicContact CB-CE 4.15Å; L18-M56 HydrophobicContact CD2-SD 3.98Å; V52-M56 HydrophobicContact CG1-SD 4.03Å; V52-M56 VanDerWaalsContact O-CG 3.24Å; V52-M56 WeakPolarHBondContact O-CG 3.46Å; V52-M56 PolarHBondContact O-N 3.24Å; V52-M56 VanDerWaalsContact O-N 3.12Å; R53-M56 PolarHBondContact O-N 3.39Å; M56-T60 WeakPolarHBondContact O-CG2 3.45Å; M56-T60 PolarHBondContact O-N 3.42Å; M56-T60 PolarHBondContact O-OG1 3.31Å; M56-M194 HydrophobicContact CB-CE 3.57Å; M56-M194 HydrophobicContact CB-SD 4.05Å; M56-M197 HydrophobicContact CE-CE 3.55Å
57Y78.6Confident71.2Confident31 Ų3162.3 Ų62.312%0.12235%0.346CS..Hα-helixtrans-75.7-36.4179.7-155.5-90.5000111.8R53 K54 D55 T60 L61 T111 L191 M194R53-Y57 VanDerWaalsContact O-CB 3.28Å; R53-Y57 WeakPolarHBondContact O-CB 3.35Å; R53-Y57 PolarHBondContact O-N 3.28Å; K54-Y57 PolarHBondContact O-N 2.83Å; D55-Y57 VanDerWaalsContact C-N 3.29Å; D55-Y57 PolarHBondContact O-N 3.28Å; Y57-T60 PolarHBondContact O-N 3.32Å; Y57-T60 PolarHBondContact O-OG1 2.81Å; Y57-L61 HydrophobicContact CD1-CD1 3.8Å; Y57-L61 HydrophobicContact CD1-CG 4.35Å; Y57-L61 HydrophobicContact CE1-CD1 3.35Å; Y57-L61 HydrophobicContact CE1-CG 4.21Å; Y57-L61 PolarHBondContact O-N 2.9Å; Y57-L61 VanDerWaalsContact O-N 3.12Å; Y57-T111 HydrophobicContact CE2-CG2 3.86Å; Y57-T111 VanDerWaalsContact OH-CG2 3.3Å; Y57-T111 WeakPolarHBondContact OH-CG2 3.44Å; Y57-L191 HydrophobicContact CD2-CD1 4.17Å; Y57-L191 HydrophobicContact CE2-CD1 3.25Å; Y57-L191 WeakPolarHBondContact OH-CD1 3.49Å; Y57-M194 HydrophobicContact CD2-CE 4.23Å; Y57-M194 HydrophobicContact CD2-SD 4.03Å
58N77.6Confident69Low56 Ų5661.2 Ų61.230%0.29936%0.36SS..Hα-helixtrans-70.3-41.1175-74.8-45.1000111.7K54 D55 T60 L61 N62K54-N58 VanDerWaalsContact CG-ND2 3.34Å; K54-N58 WeakPolarHBondContact CG-ND2 3.11Å; K54-N58 WeakPolarHBondContact O-CB 3.38Å; K54-N58 VanDerWaalsContact O-CG 3.31Å; K54-N58 PolarHBondContact O-N 3.06Å; K54-N58 PolarHBondContact O-ND2 2.99Å; D55-N58 PolarHBondContact O-N 3.04Å; N58-T60 PolarHBondContact O-N 2.93Å; N58-L61 PolarHBondContact O-N 2.91Å; N58-N62 WeakPolarHBondContact O-CB 3.36Å; N58-N62 PolarHBondContact O-N 2.9Å; N58-N62 PolarHBondContact OD1-ND2 3.06Å
59D71.1Confident66.7Low93 Ų9369.6 Ų69.650%0.49739%0.39SS..Hα-helixtrans-57.9-39174.6-70.1-28.7000111.6D55D55-D59 PolarHBondContact O-N 2.88Å
60T66.1Low64.6Low53 Ų5374.2 Ų74.233%0.32542%0.415SS..Hα-helixtrans-83.8-21.7-177.348.70000115.3M56 Y57 N58 N190M56-T60 WeakPolarHBondContact O-CG2 3.45Å; M56-T60 PolarHBondContact O-N 3.42Å; M56-T60 PolarHBondContact O-OG1 3.31Å; Y57-T60 PolarHBondContact O-N 3.32Å; Y57-T60 PolarHBondContact O-OG1 2.81Å; N58-T60 PolarHBondContact O-N 2.93Å; T60-N190 HydrophobicContact CG2-CB 4.21Å
61L59.8Low63Low68 Ų6879.2 Ų79.236%0.35643%0.431SS..Hα-helixtrans-100.7-33.8176.2-72.4-172.6000115Y57 N58Y57-L61 HydrophobicContact CD1-CD1 3.8Å; Y57-L61 HydrophobicContact CD1-CG 4.35Å; Y57-L61 HydrophobicContact CE1-CD1 3.35Å; Y57-L61 HydrophobicContact CE1-CG 4.21Å; Y57-L61 PolarHBondContact O-N 2.9Å; Y57-L61 VanDerWaalsContact O-N 3.12Å; N58-L61 PolarHBondContact O-N 2.91Å
62N55.2Low61.5Low71 Ų7183.2 Ų83.238%0.3845%0.452SS..Hα-helixtrans-111.48.9-168.8-61.3-46.4000113.9N58 G64 M65N58-N62 WeakPolarHBondContact O-CB 3.36Å; N58-N62 PolarHBondContact O-N 2.9Å; N58-N62 PolarHBondContact OD1-ND2 3.06Å; N62-G64 PolarHBondContact O-N 2.68Å; N62-G64 VanDerWaalsContact O-N 3.11Å; N62-M65 PolarHBondContact O-N 2.75Å
63G48Very low60.7Low68 Ų6892 Ų9270%0.70149%0.493SS*.THydrogen-bonded Turntrans58.92917000000114.8M65G63-M65 PolarHBondContact O-N 2.66Å; G63-M65 VanDerWaalsContact O-N 3.1Å
64G42.4Very low60.4Low52 Ų5293.6 Ų93.654%0.53650%0.503SS..THydrogen-bonded Turntrans68.2-0.1178.900000116.7N62N62-G64 PolarHBondContact O-N 2.68Å; N62-G64 VanDerWaalsContact O-N 3.11Å
65M37.6Very low60.3Low163 Ų16393 Ų9380%0.80351%0.506SS*.  trans-103.5-4.4-166.6-156.1147.670.600115.6N62 G63N62-M65 PolarHBondContact O-N 2.75Å; G63-M65 PolarHBondContact O-N 2.66Å; G63-M65 VanDerWaalsContact O-N 3.1Å
66F41Very low60.3Low132 Ų13298.6 Ų98.658%0.57953%0.531SS*.  trans-115.776.8173.6-97.5-97.6000113G68 D70F66-G68 PolarHBondContact O-N 3.46Å; F66-G68 VanDerWaalsContact O-N 3.08Å; F66-D70 WeakPolarHBondContact CD1-OD2 3.27Å; F66-D70 WeakPolarHBondContact CE1-OD2 3.31Å
67N39.7Very low60.5Low141 Ų141101 Ų10175%0.75455%0.553SS**  trans-64.7102.7167.1-88.9-38.1000111.2R69N67-R69 PolarHBondContact O-N 2.89Å
68G45Very low60.8Low72 Ų72104.7 Ų104.774%0.74257%0.574SS**SBendtrans65.3-12.3148.800000120.2F66F66-G68 PolarHBondContact O-N 3.46Å; F66-G68 VanDerWaalsContact O-N 3.08Å
69R43Very low61.3Low214 Ų214104.4 Ų104.481%0.80859%0.585SS**THydrogen-bonded Turntrans-84.7-17.8-169.2-72.5-177.2-68.3174.52.1115.6N67 M71N67-R69 PolarHBondContact O-N 2.89Å; R69-M71 VanDerWaalsContact C-N 3.3Å; R69-M71 PolarHBondContact O-N 3.18Å
70D47.3Very low62.2Low99 Ų99105.3 Ų105.353%0.52960%0.595SS.*THydrogen-bonded Turntrans-98.828.2-178.1-61.818.3000111.8F66 E72 R172F66-D70 WeakPolarHBondContact CD1-OD2 3.27Å; F66-D70 WeakPolarHBondContact CE1-OD2 3.31Å; D70-E72 PolarHBondContact O-N 3.12Å; D70-R172 PolarHBondContact O-NH1 3.36Å
71M53.4Low63.4Low139 Ų139107.5 Ų107.569%0.68561%0.609SS**  trans-72.777.7148.2-179.1167.6-82.500107.2R69 E73R69-M71 VanDerWaalsContact C-N 3.3Å; R69-M71 PolarHBondContact O-N 3.18Å; M71-E73 PolarHBondContact O-N 2.9Å
72E59.2Low64.9Low133 Ų133105.7 Ų105.762%0.62160%0.604SS**  trans-48.8110.1168.7-77.9-175.9124.300108.7D70 L74D70-E72 PolarHBondContact O-N 3.12Å; E72-L74 PolarHBondContact O-N 3.24Å; E72-L74 VanDerWaalsContact O-N 3.14Å
73E71.1Confident66.7Low184 Ų184108.7 Ų108.786%0.8662%0.615SS**PPolyproline II helixtrans-66.9116.3-175.8-170.5163.2-15000108.3M71M71-E73 PolarHBondContact O-N 2.9Å
74L79.7Confident68.9Low64 Ų64107 Ų10734%0.33559%0.59SS.*PPolyproline II helixtrans-60.5123.8-173.1-73.8167.5000109.1E72 I168 K169E72-L74 PolarHBondContact O-N 3.24Å; E72-L74 VanDerWaalsContact O-N 3.14Å; L74-I168 HydrophobicContact CD2-CG2 4.23Å; L74-K169 HydrophobicContact CD1-CG 4.4Å; L74-K169 HydrophobicContact CD2-CG 3.86Å
75P83.2Confident71.4Confident56 Ų56111.2 Ų111.236%0.36460%0.596SS.*PPolyproline II helixtrans-60163.4-176.925.6-35.2000111.2R165 I168P75-R165 HydrophobicContact CG-CG 4.22Å; P75-R165 WeakPolarHBondContact O-CD 3.44Å; P75-R165 WeakPolarHBondContact O-CG 3.27Å; P75-R165 PolarHBondContact O-NE 3.3Å; P75-I168 HydrophobicContact CG-CD1 3.63Å
76E84.1Confident74.1Confident164 Ų164106.4 Ų106.477%0.76657%0.571SS**PPolyproline II helixtrans-56.2151.7-179.4-65.3-168.1158.500112.9I78E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.33Å
77A86.4Confident76.7Confident67 Ų67104 Ų10455%0.55456%0.561SS**  trans-75.876.3-174.400000111.9T162A77-T162 HydrophobicContact CB-CG2 3.78Å
78I85.7Confident79.3Confident109 Ų10998.2 Ų98.256%0.55953%0.529SS*.  trans-88.6119.5-179.3-59.2170.3000110.6E76E76-I78 VanDerWaalsContact C-N 3.3Å; E76-I78 PolarHBondContact O-N 3.33Å
79G87.4Confident81.7Confident51 Ų51101.2 Ų101.253%0.52652%0.519SS..SBendtrans97.2-175.5173.700000114.6T162G79-T162 WeakPolarHBondContact O-CG2 3.5Å
80P90.3Very high84.1Confident111 Ų11191.6 Ų91.672%0.72149%0.485SS*.  trans-69.4153.8178.130.1-35.3000111.8
81V91.4Very high86.2Confident100 Ų10088.3 Ų88.361%0.60647%0.468SS*.EExtended strand (participates in β ladder)trans-66.2132.7168.1-178.50000109E160V81-E160 HydrophobicContact CG1-CG 3.83Å
82A91Very high88Confident30 Ų3084.1 Ų84.125%0.24845%0.451CS..EExtended strand (participates in β ladder)trans-131.2147.3177.400000110D161A82-D161 PolarHBondContact N-O 3.17Å; A82-D161 PolarHBondContact O-N 2.94Å
83Q94.1Very high89.4Confident134 Ų13485.6 Ų85.663%0.62646%0.455SS*.EExtended strand (participates in β ladder)trans-94.9119.8170.6-169168.672.600109.5V159Q83-V159 CarbonylContact C-O 3.58Å; Q83-V159 VanDerWaalsContact CA-O 3.29Å; Q83-V159 WeakPolarHBondContact CA-O 3.47Å
84L93.2Very high90.3Very high33 Ų3383.4 Ų83.417%0.17345%0.445CS..EExtended strand (participates in β ladder)trans-105.1150.4170.7-60.5-174.9000109.8T158 V159 A166 K167 L170L84-T158 CarbonylContact O-C 3.56Å; L84-T158 WeakPolarHBondContact O-CA 3.44Å; L84-V159 PolarHBondContact N-O 3.25Å; L84-V159 PolarHBondContact O-N 3.24Å; L84-A166 HydrophobicContact CD1-CB 3.64Å; L84-A166 HydrophobicContact CG-CB 4.03Å; L84-K167 HydrophobicContact CD1-CG 4.16Å; L84-L170 HydrophobicContact CB-CD2 3.87Å; L84-L170 HydrophobicContact CD1-CD2 4.27Å
85Q95Very high90.8Very high140 Ų14085.6 Ų85.665%0.65445%0.449SS*.EExtended strand (participates in β ladder)trans-143.5141.5176.361.2179.1-0.700111.2L156 I157 T158Q85-L156 HydrophobicContact CB-CD1 4.29Å; Q85-I157 CarbonylContact C-O 3.55Å; Q85-I157 VanDerWaalsContact CA-O 3.25Å; Q85-I157 WeakPolarHBondContact CA-O 3.36Å; Q85-T158 HydrophobicContact CB-CG2 3.86Å
86E95.1Very high91Very high61 Ų6187.4 Ų87.429%0.28546%0.461SS..EExtended strand (participates in β ladder)trans-133144.7171.2-166.8165127.900110.5L88 I157 L170 I174E86-L88 HydrophobicContact CG-CD2 4.49Å; E86-I157 PolarHBondContact N-O 3.37Å; E86-I157 PolarHBondContact O-N 3.46Å; E86-L170 HydrophobicContact CB-CD1 3.96Å; E86-L170 HydrophobicContact CB-CD2 4.46Å; E86-I174 HydrophobicContact CB-CD1 4.16Å; E86-I174 HydrophobicContact CG-CD1 4.18Å; E86-I174 WeakPolarHBondContact OE1-CD1 3.37Å; E86-I174 WeakPolarHBondContact OE2-CD1 3.45Å
87K95.3Very high91.2Very high83 Ų8387.4 Ų87.436%0.36147%0.466SS..EExtended strand (participates in β ladder)trans-110.4117.8176.1-71.4-176.2174.4-175.50109.4E151 L156K87-E151 IonicContact NZ-OE1 2.99Å; K87-E151 PolarHBondContact NZ-OE1 2.91Å; K87-E151 IonicContact NZ-OE2 3.67Å; K87-E151 PolarHBondContact NZ-OE2 3.17Å; K87-L156 HydrophobicContact CG-CD1 3.84Å
88L95Very high91.4Very high18 Ų1886 Ų869%0.09445%0.448CS..EExtended strand (participates in β ladder)trans-104.9112.1173.8-61.6178.4000109.7E86 H154 V155 I157 I174 V177 L181E86-L88 HydrophobicContact CG-CD2 4.49Å; L88-H154 CarbonylContact O-C 3.5Å; L88-H154 WeakPolarHBondContact O-CA 3.29Å; L88-H154 WeakPolarHBondContact O-CB 3.37Å; L88-V155 PolarHBondContact N-O 3.36Å; L88-V155 PolarHBondContact O-N 3.05Å; L88-I157 HydrophobicContact CD1-CD1 3.81Å; L88-I174 HydrophobicContact CD1-CB 4.33Å; L88-I174 HydrophobicContact CD1-CG1 4.22Å; L88-I174 HydrophobicContact CD1-CG2 4.14Å; L88-I174 HydrophobicContact CD2-CG2 4.22Å; L88-V177 HydrophobicContact CD1-CB 3.93Å; L88-V177 HydrophobicContact CD1-CG1 3.71Å; L88-L181 HydrophobicContact CB-CD1 4.31Å
89Y94.6Very high91.6Very high135 Ų13586.2 Ų86.253%0.52945%0.45SS..EExtended strand (participates in β ladder)trans-72.2143.8176.9-67.3-77.2000111.6D152 H154Y89-D152 HydrophobicContact CD1-CB 4.23Å; Y89-D152 HydrophobicContact CE1-CB 4.43Å; Y89-H154 HydrophobicContact CD1-CB 3.83Å; Y89-H154 HydrophobicContact CE1-CB 4.12Å; Y89-H154 HydrophobicContact CG-CB 4.42Å
90V93.2Very high91.8Very high13 Ų1383.9 Ų83.98%0.07943%0.426CS..  trans-93.5132.4-178.6-174.60000109.9V92 F100 L153 L181V90-V92 HydrophobicContact CB-CG1 4.26Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V90-V92 PolarHBondContact O-N 2.94Å; V90-F100 HydrophobicContact CG1-CB 3.52Å; V90-F100 HydrophobicContact CG1-CD1 4.16Å; V90-F100 HydrophobicContact CG1-CD2 3.37Å; V90-F100 HydrophobicContact CG1-CE2 4.11Å; V90-F100 HydrophobicContact CG1-CG 3.4Å; V90-F100 VanDerWaalsContact CG1-CG 3.4Å; V90-L153 HydrophobicContact CB-CB 4.31Å; V90-L153 HydrophobicContact CB-CD2 3.86Å; V90-L153 HydrophobicContact CB-CG 4.09Å; V90-L153 HydrophobicContact CG1-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CB 4.44Å; V90-L153 HydrophobicContact CG2-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CG 3.87Å; V90-L153 PolarHBondContact N-O 3.49Å; V90-L181 HydrophobicContact CB-CD2 4.17Å; V90-L181 HydrophobicContact CG1-CD2 3.88Å; V90-L181 HydrophobicContact CG2-CD2 3.87Å
91P92.1Very high92Very high29 Ų2979.9 Ų79.919%0.18840%0.399CS..  trans-7745.6-175.332.4-36.2000114.1K93 E94 Y95 F100P91-K93 PolarHBondContact O-N 2.92Å; P91-E94 HydrophobicContact CB-CB 4.48Å; P91-E94 PolarHBondContact O-N 3.36Å; P91-Y95 HydrophobicContact CB-CD2 4.46Å; P91-Y95 HydrophobicContact CG-CD2 4.49Å; P91-Y95 PolarHBondContact O-N 3Å; P91-F100 HydrophobicContact CG-CE1 4.24Å; P91-F100 HydrophobicContact CG-CE2 4.38Å; P91-F100 HydrophobicContact CG-CZ 3.86Å
92V90.3Very high92Very high52 Ų5276.7 Ų76.732%0.31539%0.386SS..THydrogen-bonded Turntrans-64-10176.8-62.20000114.3V90 P96 F100 L153V90-V92 HydrophobicContact CB-CG1 4.26Å; V90-V92 HydrophobicContact CG1-CG1 3.76Å; V90-V92 PolarHBondContact O-N 2.94Å; V92-P96 WeakPolarHBondContact O-CA 3.21Å; V92-F100 HydrophobicContact CG1-CD2 4.11Å; V92-F100 HydrophobicContact CG1-CE2 4.48Å; V92-L153 HydrophobicContact CG1-CD2 3.65Å
93K89.1Confident92.1Very high163 Ų16376.3 Ų76.371%0.70938%0.378SS*.THydrogen-bonded Turntrans-83-25.9174-67.1171.3-176.71650112.3P91 D152P91-K93 PolarHBondContact O-N 2.92Å; K93-D152 WeakPolarHBondContact CE-OD2 3.48Å; K93-D152 IonicContact NZ-OD2 2.65Å; K93-D152 PolarHBondContact NZ-OD2 2.94Å
94E90.4Very high92Very high138 Ų13870.1 Ų70.165%0.64535%0.349SS*.THydrogen-bonded Turntrans-93.6-40177.6-67158.9-139.500110.7P91 P96P91-E94 HydrophobicContact CB-CB 4.48Å; P91-E94 PolarHBondContact O-N 3.36Å; E94-P96 WeakPolarHBondContact O-CD 3.34Å
95Y89.1Confident92Very high110 Ų11071.7 Ų71.743%0.43136%0.358SS..  trans-125.471.7-176-54.2-81.7000111.1P91 D97 F98 F100 P183P91-Y95 HydrophobicContact CB-CD2 4.46Å; P91-Y95 HydrophobicContact CG-CD2 4.49Å; P91-Y95 PolarHBondContact O-N 3Å; Y95-D97 VanDerWaalsContact C-N 3.33Å; Y95-D97 PolarHBondContact O-N 2.82Å; Y95-F98 PolarHBondContact O-N 2.95Å; Y95-F100 HydrophobicContact CD2-CZ 4.31Å; Y95-F100 HydrophobicContact CG-CZ 4.45Å; Y95-P183 HydrophobicContact CD1-CG 3.67Å; Y95-P183 HydrophobicContact CD2-CG 3.82Å; Y95-P183 HydrophobicContact CE1-CG 3.75Å; Y95-P183 HydrophobicContact CE2-CG 3.91Å; Y95-P183 HydrophobicContact CG-CG 3.71Å
96P88.7Confident91.9Very high95 Ų9565.8 Ų65.862%0.61733%0.334SS*.THydrogen-bonded Turntrans-66.6-30.6-173.126.8-35.5000113.7V92 E94 F98V92-P96 WeakPolarHBondContact O-CA 3.21Å; E94-P96 WeakPolarHBondContact O-CD 3.34Å; P96-F98 VanDerWaalsContact C-N 3.33Å
97D88.2Confident91.7Very high163 Ų16363.1 Ų63.187%0.87232%0.323SS*.THydrogen-bonded Turntrans-82.5-9.5-178.9-56.9-59.1000113.3Y95Y95-D97 VanDerWaalsContact C-N 3.33Å; Y95-D97 PolarHBondContact O-N 2.82Å
98F89.7Confident91.5Very high39 Ų3968.4 Ų68.417%0.17134%0.34CS..  trans-90.4119.9-175.3-167.2-89.3000112.4Y95 P96 F100 P183Y95-F98 PolarHBondContact O-N 2.95Å; P96-F98 VanDerWaalsContact C-N 3.33Å; F98-F100 HydrophobicContact CB-CE2 4.02Å; F98-F100 HydrophobicContact CB-CZ 4.16Å; F98-F100 AromaticContact CD1-CD1 3.5Å; F98-F100 HydrophobicContact CD1-CD1 3.5Å; F98-F100 AromaticContact CD1-CD2 3.93Å; F98-F100 HydrophobicContact CD1-CD2 3.93Å; F98-F100 AromaticContact CD1-CE1 3.4Å; F98-F100 HydrophobicContact CD1-CE1 3.4Å; F98-F100 AromaticContact CD1-CE2 3.86Å; F98-F100 HydrophobicContact CD1-CE2 3.86Å; F98-F100 AromaticContact CD1-CG 3.77Å; F98-F100 HydrophobicContact CD1-CG 3.77Å; F98-F100 AromaticContact CD1-CZ 3.6Å; F98-F100 HydrophobicContact CD1-CZ 3.6Å; F98-F100 AromaticContact CE1-CD1 3.68Å; F98-F100 HydrophobicContact CE1-CD1 3.68Å; F98-F100 AromaticContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CG 4.26Å; F98-F100 HydrophobicContact CE1-CZ 4.37Å; F98-F100 HydrophobicContact CG-CE1 4.36Å; F98-F100 HydrophobicContact CG-CE2 4.4Å; F98-F100 HydrophobicContact CG-CZ 4.2Å; F98-F100 WeakPolarHBondContact O-CD2 3.44Å; F98-F100 PolarHBondContact O-N 3.35Å; F98-P183 HydrophobicContact CD1-CB 4.07Å; F98-P183 HydrophobicContact CD2-CB 3.59Å; F98-P183 HydrophobicContact CE1-CB 4.08Å; F98-P183 HydrophobicContact CE2-CB 3.61Å; F98-P183 HydrophobicContact CG-CB 3.82Å; F98-P183 HydrophobicContact CZ-CB 3.86Å
99N90.7Very high91.3Very high113 Ų11368.7 Ų68.760%0.60435%0.348SS*.  trans-82.374.4-177.5-172.30.4000113V101 G102 R103N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.79Å; N99-G102 PolarHBondContact O-N 3.36Å; N99-G102 PolarHBondContact OD1-N 3.09Å; N99-R103 PolarHBondContact O-N 2.97Å
100F92.1Very high91.1Very high2 Ų264.4 Ų64.41%0.00933%0.334CS..Hα-helixtrans-54.5-42.1174.4-62.7-77.4000113.1V90 P91 V92 Y95 F98 G102 R103 I104 L181V90-F100 HydrophobicContact CG1-CB 3.52Å; V90-F100 HydrophobicContact CG1-CD1 4.16Å; V90-F100 HydrophobicContact CG1-CD2 3.37Å; V90-F100 HydrophobicContact CG1-CE2 4.11Å; V90-F100 HydrophobicContact CG1-CG 3.4Å; V90-F100 VanDerWaalsContact CG1-CG 3.4Å; P91-F100 HydrophobicContact CG-CE1 4.24Å; P91-F100 HydrophobicContact CG-CE2 4.38Å; P91-F100 HydrophobicContact CG-CZ 3.86Å; V92-F100 HydrophobicContact CG1-CD2 4.11Å; V92-F100 HydrophobicContact CG1-CE2 4.48Å; Y95-F100 HydrophobicContact CD2-CZ 4.31Å; Y95-F100 HydrophobicContact CG-CZ 4.45Å; F98-F100 HydrophobicContact CB-CE2 4.02Å; F98-F100 HydrophobicContact CB-CZ 4.16Å; F98-F100 AromaticContact CD1-CD1 3.5Å; F98-F100 HydrophobicContact CD1-CD1 3.5Å; F98-F100 AromaticContact CD1-CD2 3.93Å; F98-F100 HydrophobicContact CD1-CD2 3.93Å; F98-F100 AromaticContact CD1-CE1 3.4Å; F98-F100 HydrophobicContact CD1-CE1 3.4Å; F98-F100 AromaticContact CD1-CE2 3.86Å; F98-F100 HydrophobicContact CD1-CE2 3.86Å; F98-F100 AromaticContact CD1-CG 3.77Å; F98-F100 HydrophobicContact CD1-CG 3.77Å; F98-F100 AromaticContact CD1-CZ 3.6Å; F98-F100 HydrophobicContact CD1-CZ 3.6Å; F98-F100 AromaticContact CE1-CD1 3.68Å; F98-F100 HydrophobicContact CE1-CD1 3.68Å; F98-F100 AromaticContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CE1 3.73Å; F98-F100 HydrophobicContact CE1-CG 4.26Å; F98-F100 HydrophobicContact CE1-CZ 4.37Å; F98-F100 HydrophobicContact CG-CE1 4.36Å; F98-F100 HydrophobicContact CG-CE2 4.4Å; F98-F100 HydrophobicContact CG-CZ 4.2Å; F98-F100 WeakPolarHBondContact O-CD2 3.44Å; F98-F100 PolarHBondContact O-N 3.35Å; F100-G102 PolarHBondContact O-N 2.88Å; F100-R103 PolarHBondContact O-N 3.07Å; F100-I104 HydrophobicContact CB-CD1 4.43Å; F100-I104 WeakPolarHBondContact O-CD1 3.44Å; F100-I104 VanDerWaalsContact O-CG1 3.29Å; F100-I104 WeakPolarHBondContact O-CG1 3.28Å; F100-I104 PolarHBondContact O-N 2.9Å; F100-L181 HydrophobicContact CD1-CD2 4.3Å; F100-L181 WeakPolarHBondContact CE1-O 3.46Å
101V93.1Very high91Very high26 Ų2664.2 Ų64.216%0.15833%0.333CS..Hα-helixtrans-62.3-43.3-177.6-178.90000111.1N99 L105 V125 L153N99-V101 VanDerWaalsContact C-N 3.3Å; N99-V101 PolarHBondContact O-N 2.79Å; V101-L105 HydrophobicContact CG1-CD1 3.83Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CB 3.49Å; V101-L105 WeakPolarHBondContact O-CG 3.45Å; V101-L105 PolarHBondContact O-N 3.13Å; V101-L105 VanDerWaalsContact O-N 3.07Å; V101-V125 HydrophobicContact CG1-CG1 4.18Å; V101-V125 HydrophobicContact CG2-CG1 4.12Å; V101-L153 HydrophobicContact CG2-CD1 4.14Å; V101-L153 HydrophobicContact CG2-CD2 3.83Å
102G92.9Very high91Very high33 Ų3363.2 Ų63.234%0.3433%0.327SS..Hα-helixtrans-62.8-41.6174.900000112.9N99 F100 G106N99-G102 PolarHBondContact O-N 3.36Å; N99-G102 PolarHBondContact OD1-N 3.09Å; F100-G102 PolarHBondContact O-N 2.88Å; G102-G106 WeakPolarHBondContact O-CA 3.2Å; G102-G106 PolarHBondContact O-N 3.24Å
103R91.8Very high91.1Very high23 Ų2367.4 Ų67.49%0.08734%0.341CS..Hα-helixtrans-68.1-37.7179.3-164.6-179.8-167-137.24.3113N99 F100 L180 V182 D189 L191 Q195N99-R103 PolarHBondContact O-N 2.97Å; F100-R103 PolarHBondContact O-N 3.07Å; R103-L180 PolarHBondContact NH1-O 2.67Å; R103-V182 PolarHBondContact NH1-O 2.85Å; R103-D189 IonicContact CZ-OD1 3.36Å; R103-D189 IonicContact CZ-OD2 2.59Å; R103-D189 IonicContact NE-OD1 3.8Å; R103-D189 IonicContact NE-OD2 3.48Å; R103-D189 PolarHBondContact NE-OD2 3.31Å; R103-D189 IonicContact NH2-OD1 3.15Å; R103-D189 PolarHBondContact NH2-OD1 3.44Å; R103-D189 IonicContact NH2-OD2 3.64Å; R103-D189 PolarHBondContact NH2-OD2 2.86Å; R103-D189 VanDerWaalsContact NH2-OD2 3.15Å; R103-L191 HydrophobicContact CG-CD2 4.02Å; R103-Q195 PolarHBondContact O-NE2 2.65Å
104I92.8Very high91.1Very high3 Ų361.4 Ų61.42%0.01532%0.315CS..Hα-helixtrans-74.2-43.8179.3-66.5160.1000111.3F100 A112 V155 L180 L181F100-I104 HydrophobicContact CB-CD1 4.43Å; F100-I104 WeakPolarHBondContact O-CD1 3.44Å; F100-I104 VanDerWaalsContact O-CG1 3.29Å; F100-I104 WeakPolarHBondContact O-CG1 3.28Å; F100-I104 PolarHBondContact O-N 2.9Å; I104-A112 PolarHBondContact O-N 2.65Å; I104-V155 HydrophobicContact CD1-CG2 3.94Å; I104-L180 HydrophobicContact CG1-CB 3.96Å; I104-L180 HydrophobicContact CG1-CD1 4.13Å; I104-L181 HydrophobicContact CD1-CD2 4.01Å
105L93.1Very high91.1Very high66 Ų6655.9 Ų55.935%0.34629%0.29SS..Hα-helixtrans-73.6-42.6179.3-66.4175.3000112.2V101 G109 L110 T111 A112 V125V101-L105 HydrophobicContact CG1-CD1 3.83Å; V101-L105 HydrophobicContact CG1-CG 4.48Å; V101-L105 WeakPolarHBondContact O-CB 3.49Å; V101-L105 WeakPolarHBondContact O-CG 3.45Å; V101-L105 PolarHBondContact O-N 3.13Å; V101-L105 VanDerWaalsContact O-N 3.07Å; L105-G109 CarbonylContact O-C 3.6Å; L105-G109 WeakPolarHBondContact O-CA 3.43Å; L105-L110 PolarHBondContact O-N 2.89Å; L105-T111 PolarHBondContact O-N 3.46Å; L105-T111 VanDerWaalsContact O-N 3.16Å; L105-A112 HydrophobicContact CD2-CB 4.03Å; L105-A112 PolarHBondContact O-N 2.9Å; L105-V125 HydrophobicContact CD2-CG2 4.2Å; L105-V125 HydrophobicContact CG-CG2 4.39Å
106G92.4Very high91.3Very high16 Ų1653.3 Ų53.317%0.16528%0.282CS..  trans66.6-168.8-174.300000113.9G102 R108 G109G102-G106 WeakPolarHBondContact O-CA 3.2Å; G102-G106 PolarHBondContact O-N 3.24Å; G106-R108 PolarHBondContact O-N 3.35Å; G106-G109 PolarHBondContact O-N 3.47Å
107P92.3Very high91.3Very high6 Ų652.7 Ų52.74%0.03929%0.285CS..G310 helixtrans-58.8122.1-178.724.6-34.4000110.8G109 L110 E198 L199 L202P107-G109 PolarHBondContact O-N 3.41Å; P107-L110 WeakPolarHBondContact O-CB 3.3Å; P107-L110 WeakPolarHBondContact O-CD1 3.38Å; P107-L110 WeakPolarHBondContact O-CG 3.31Å; P107-L110 PolarHBondContact O-N 2.81Å; P107-E198 HydrophobicContact CG-CB 4.15Å; P107-E198 HydrophobicContact CG-CG 4.3Å; P107-L199 HydrophobicContact CB-CB 4.3Å; P107-L199 HydrophobicContact CB-CD1 4.45Å; P107-L202 HydrophobicContact CB-CD1 3.77Å
108R89.9Confident91.2Very high193 Ų19347.9 Ų47.973%0.72826%0.257SS*.G310 helixtrans51.821.2-178.5-63.6-177.3175.2-163.5-1.1115.4G106 L110 L202G106-R108 PolarHBondContact O-N 3.35Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 HydrophobicContact CB-CD1 4.37Å; R108-L110 HydrophobicContact CB-CG 4.35Å; R108-L202 HydrophobicContact CG-CD1 4.1Å
109G91.4Very high91.2Very high25 Ų2546.4 Ų46.426%0.25825%0.251SS..G310 helixtrans79.99.4-175.100000114.7L105 G106 P107 A112 K113L105-G109 CarbonylContact O-C 3.6Å; L105-G109 WeakPolarHBondContact O-CA 3.43Å; G106-G109 PolarHBondContact O-N 3.47Å; P107-G109 PolarHBondContact O-N 3.41Å; G109-A112 PolarHBondContact O-N 3.1Å; G109-K113 PolarHBondContact O-N 3.43Å
110L89.7Confident91.2Very high44 Ų4442.9 Ų42.923%0.2324%0.242CC..Hα-helixtrans-70-33.2-173.3-67.1166.3000113.2L105 P107 R108 K113 Q114 E198 L202L105-L110 PolarHBondContact O-N 2.89Å; P107-L110 WeakPolarHBondContact O-CB 3.3Å; P107-L110 WeakPolarHBondContact O-CD1 3.38Å; P107-L110 WeakPolarHBondContact O-CG 3.31Å; P107-L110 PolarHBondContact O-N 2.81Å; R108-L110 VanDerWaalsContact C-N 3.33Å; R108-L110 HydrophobicContact CB-CD1 4.37Å; R108-L110 HydrophobicContact CB-CG 4.35Å; L110-K113 PolarHBondContact O-N 2.85Å; L110-Q114 WeakPolarHBondContact O-CB 3.38Å; L110-Q114 PolarHBondContact O-N 2.82Å; L110-E198 VanDerWaalsContact CD1-OE1 3.3Å; L110-E198 WeakPolarHBondContact CD1-OE1 3.42Å; L110-L202 HydrophobicContact CD1-CD1 4.47Å
111T90.9Very high91.3Very high10 Ų1043.1 Ų43.16%0.06124%0.244CC..Hα-helixtrans-66.9-43.6175.6-57.70000110.9Y57 L105 Q114 L115 Q195Y57-T111 HydrophobicContact CE2-CG2 3.86Å; Y57-T111 VanDerWaalsContact OH-CG2 3.3Å; Y57-T111 WeakPolarHBondContact OH-CG2 3.44Å; L105-T111 PolarHBondContact O-N 3.46Å; L105-T111 VanDerWaalsContact O-N 3.16Å; T111-Q114 PolarHBondContact O-N 3.28Å; T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 PolarHBondContact O-N 2.84Å; T111-Q195 PolarHBondContact OG1-NE2 2.78Å
112A92.8Very high91.4Very high8 Ų847.1 Ų47.17%0.06626%0.259CS..Hα-helixtrans-61.1-47.3173.200000111.5I104 L105 G109 Q114 L115 E116I104-A112 PolarHBondContact O-N 2.65Å; L105-A112 HydrophobicContact CD2-CB 4.03Å; L105-A112 PolarHBondContact O-N 2.9Å; G109-A112 PolarHBondContact O-N 3.1Å; A112-Q114 VanDerWaalsContact C-N 3.31Å; A112-Q114 PolarHBondContact O-N 3.18Å; A112-L115 PolarHBondContact O-N 3.39Å; A112-L115 VanDerWaalsContact O-N 3.13Å; A112-E116 WeakPolarHBondContact O-CG 3.32Å; A112-E116 PolarHBondContact O-N 2.92Å
113K91.9Very high91.5Very high139 Ų13946.2 Ų46.260%0.60425%0.246SC*.Hα-helixtrans-60.3-37.5177.9-174-177.9176.2-172.10112.9G109 L110 A117G109-K113 PolarHBondContact O-N 3.43Å; L110-K113 PolarHBondContact O-N 2.85Å; K113-A117 WeakPolarHBondContact O-CB 3.45Å; K113-A117 PolarHBondContact O-N 2.93Å
114Q88.9Confident91.6Very high37 Ų3747.9 Ų47.917%0.17326%0.256CS..Hα-helixtrans-67-44.4174.6-178.1174.5-14.600111L110 T111 A112 E116 A117 E118L110-Q114 WeakPolarHBondContact O-CB 3.38Å; L110-Q114 PolarHBondContact O-N 2.82Å; T111-Q114 PolarHBondContact O-N 3.28Å; A112-Q114 VanDerWaalsContact C-N 3.31Å; A112-Q114 PolarHBondContact O-N 3.18Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; Q114-E116 PolarHBondContact O-N 2.87Å; Q114-A117 PolarHBondContact O-N 2.7Å; Q114-A117 VanDerWaalsContact O-N 3.15Å; Q114-E118 HydrophobicContact CG-CG 4.31Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.42Å; Q114-E118 PolarHBondContact NE2-OE1 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.38Å; Q114-E118 PolarHBondContact O-N 2.86Å
115L90.3Very high91.7Very high23 Ų2348.8 Ų48.812%0.1226%0.261CS..Hα-helixtrans-64-37.3177.6-174.159.9000112.2T111 A112 T119 I123 E176 V177 L180T111-L115 WeakPolarHBondContact O-CB 3.48Å; T111-L115 PolarHBondContact O-N 2.84Å; A112-L115 PolarHBondContact O-N 3.39Å; A112-L115 VanDerWaalsContact O-N 3.13Å; L115-T119 HydrophobicContact CD1-CG2 3.83Å; L115-T119 HydrophobicContact CG-CG2 4.45Å; L115-T119 WeakPolarHBondContact O-CB 3.36Å; L115-T119 VanDerWaalsContact O-CG2 3.32Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 VanDerWaalsContact O-N 3.09Å; L115-T119 PolarHBondContact O-OG1 3.06Å; L115-I123 HydrophobicContact CB-CD1 4.07Å; L115-I123 HydrophobicContact CD2-CD1 3.66Å; L115-I123 HydrophobicContact CG-CD1 3.54Å; L115-E176 HydrophobicContact CD1-CB 3.61Å; L115-E176 HydrophobicContact CD1-CG 3.92Å; L115-E176 HydrophobicContact CD2-CB 4.34Å; L115-V177 HydrophobicContact CD2-CG2 3.93Å; L115-L180 HydrophobicContact CD2-CD1 4.17Å
116E92.9Very high91.7Very high56 Ų5649.1 Ų49.126%0.26226%0.258SS..Hα-helixtrans-59-48.9169.8-71-174132.200111.5A112 Q114 E118 G120 C121 K122 I123A112-E116 WeakPolarHBondContact O-CG 3.32Å; A112-E116 PolarHBondContact O-N 2.92Å; Q114-E116 VanDerWaalsContact C-N 3.33Å; Q114-E116 PolarHBondContact O-N 2.87Å; E116-E118 PolarHBondContact O-N 2.89Å; E116-G120 WeakPolarHBondContact O-CA 3.21Å; E116-G120 PolarHBondContact O-N 3.25Å; E116-C121 WeakPolarHBondContact CA-O 3.43Å; E116-C121 WeakPolarHBondContact CB-O 3.12Å; E116-C121 WeakPolarHBondContact CG-O 3.35Å; E116-C121 PolarHBondContact O-N 2.88Å; E116-K122 WeakPolarHBondContact OE1-CA 3.46Å; E116-K122 WeakPolarHBondContact OE1-CG 3.36Å; E116-I123 HydrophobicContact CG-CB 3.9Å; E116-I123 HydrophobicContact CG-CD1 4.24Å; E116-I123 HydrophobicContact CG-CG1 3.94Å; E116-I123 PolarHBondContact OE1-N 3.06Å
117A89.4Confident91.8Very high82 Ų8248.3 Ų48.368%0.67825%0.25SC*.Hα-helixtrans-65.7-36.9-178.900000113.6K113 Q114K113-A117 WeakPolarHBondContact O-CB 3.45Å; K113-A117 PolarHBondContact O-N 2.93Å; Q114-A117 PolarHBondContact O-N 2.7Å; Q114-A117 VanDerWaalsContact O-N 3.15Å
118E86.9Confident91.8Very high62 Ų6253.7 Ų53.729%0.2927%0.273SS..Hα-helixtrans-81-24.7-179.2-69.1-165.2-151.100113.9K54 Q114 E116K54-E118 VanDerWaalsContact CD-OE1 3.31Å; K54-E118 WeakPolarHBondContact CD-OE1 3.39Å; K54-E118 WeakPolarHBondContact CE-OE1 3.08Å; K54-E118 WeakPolarHBondContact CE-OE2 3.25Å; K54-E118 VanDerWaalsContact NZ-CD 3.28Å; K54-E118 IonicContact NZ-OE1 2.68Å; K54-E118 IonicContact NZ-OE2 3.61Å; K54-E118 PolarHBondContact NZ-OE2 2.87Å; Q114-E118 HydrophobicContact CG-CG 4.31Å; Q114-E118 WeakPolarHBondContact CG-OE1 3.42Å; Q114-E118 PolarHBondContact NE2-OE1 3.4Å; Q114-E118 WeakPolarHBondContact O-CG 3.38Å; Q114-E118 PolarHBondContact O-N 2.86Å; E116-E118 PolarHBondContact O-N 2.89Å
119T89.4Confident91.7Very high7 Ų746.6 Ų46.64%0.04326%0.26CS..Hα-helixtrans-97.3-19.8178.159.50000113.1L115 C121 K169 R172 A173L115-T119 HydrophobicContact CD1-CG2 3.83Å; L115-T119 HydrophobicContact CG-CG2 4.45Å; L115-T119 WeakPolarHBondContact O-CB 3.36Å; L115-T119 VanDerWaalsContact O-CG2 3.32Å; L115-T119 WeakPolarHBondContact O-CG2 3.34Å; L115-T119 PolarHBondContact O-N 2.84Å; L115-T119 VanDerWaalsContact O-N 3.09Å; L115-T119 PolarHBondContact O-OG1 3.06Å; T119-C121 PolarHBondContact O-N 3.46Å; T119-C121 WeakPolarHBondContact OG1-CB 3.36Å; T119-C121 PolarHBondContact OG1-N 3.3Å; T119-K169 WeakPolarHBondContact O-CG 3.33Å; T119-R172 HydrophobicContact CG2-CG 4.4Å; T119-A173 HydrophobicContact CG2-CB 3.86Å
120G89.7Confident91.7Very high39 Ų3946.9 Ų46.940%0.40226%0.257SS..THydrogen-bonded Turntrans66.924.9-17000000112.7E116E116-G120 WeakPolarHBondContact O-CA 3.21Å; E116-G120 PolarHBondContact O-N 3.25Å
121C94.4Very high91.7Very high8 Ų847.2 Ų47.25%0.05426%0.258CS..  trans-113.6158.2179.3-56.40000109.8E116 T119 I157 V159 K169 A173E116-C121 WeakPolarHBondContact CA-O 3.43Å; E116-C121 WeakPolarHBondContact CB-O 3.12Å; E116-C121 WeakPolarHBondContact CG-O 3.35Å; E116-C121 PolarHBondContact O-N 2.88Å; T119-C121 PolarHBondContact O-N 3.46Å; T119-C121 WeakPolarHBondContact OG1-CB 3.36Å; T119-C121 PolarHBondContact OG1-N 3.3Å; C121-I157 HydrophobicContact CB-CG2 3.91Å; C121-V159 HydrophobicContact CB-CG2 3.95Å; C121-V159 WeakPolarHBondContact SG-CG2 3.47Å; C121-K169 VanDerWaalsContact SG-C 3.59Å; C121-K169 PolarHBondContact SG-O 2.86Å; C121-A173 HydrophobicContact CB-CB 3.98Å
122K95.3Very high91.6Very high110 Ų11058.5 Ų58.548%0.47830%0.3SS..EExtended strand (participates in β ladder)trans-102.8133.7171.5-173.8178.5-175.4174.30109.7E116 M124 I157 T158E116-K122 WeakPolarHBondContact OE1-CA 3.46Å; E116-K122 WeakPolarHBondContact OE1-CG 3.36Å; K122-M124 HydrophobicContact CD-SD 4.35Å; K122-M124 HydrophobicContact CG-CG 4.25Å; K122-I157 CarbonylContact O-C 3.09Å; K122-I157 WeakPolarHBondContact O-CA 3.4Å; K122-T158 PolarHBondContact N-O 3.15Å; K122-T158 PolarHBondContact O-N 3.03Å
123I95.3Very high91.6Very high14 Ų1461.5 Ų61.57%0.07232%0.315CS..EExtended strand (participates in β ladder)trans-126.2111.1-167.8-61.2178.5000109.5L115 E116 V155L115-I123 HydrophobicContact CB-CD1 4.07Å; L115-I123 HydrophobicContact CD2-CD1 3.66Å; L115-I123 HydrophobicContact CG-CD1 3.54Å; E116-I123 HydrophobicContact CG-CB 3.9Å; E116-I123 HydrophobicContact CG-CD1 4.24Å; E116-I123 HydrophobicContact CG-CG1 3.94Å; E116-I123 PolarHBondContact OE1-N 3.06Å; I123-V155 HydrophobicContact CG2-CG1 3.64Å
124M93.9Very high91.5Very high58 Ų5861.4 Ų61.429%0.28631%0.314SS..EExtended strand (participates in β ladder)trans-122.6113.1-173.5-53.4-164.578.400110.8K122 R126 L156K122-M124 HydrophobicContact CD-SD 4.35Å; K122-M124 HydrophobicContact CG-CG 4.25Å; M124-R126 HydrophobicContact CB-CG 4.34Å; M124-R126 PolarHBondContact O-N 2.95Å; M124-L156 HydrophobicContact CB-CB 4.44Å; M124-L156 PolarHBondContact N-O 2.96Å; M124-L156 PolarHBondContact O-N 3.43Å
125V95.1Very high91.6Very high22 Ų2268.1 Ų68.113%0.13334%0.343CS..EExtended strand (participates in β ladder)trans-67.6130.8167-171.60000108.7V101 L105 S130 L153V101-V125 HydrophobicContact CG1-CG1 4.18Å; V101-V125 HydrophobicContact CG2-CG1 4.12Å; L105-V125 HydrophobicContact CD2-CG2 4.2Å; L105-V125 HydrophobicContact CG-CG2 4.39Å; V125-S130 PolarHBondContact O-OG 2.87Å; V125-L153 HydrophobicContact CG1-CD1 4.19Å
126R93.8Very high91.6Very high72 Ų7272.5 Ų72.527%0.27236%0.361SS..EExtended strand (participates in β ladder)trans-146.9-178.4-175.4-68.4-59.9-176.790.5-10.3109.5M124 H148 L153 H154 L156M124-R126 HydrophobicContact CB-CG 4.34Å; M124-R126 PolarHBondContact O-N 2.95Å; R126-H148 HydrophobicContact CB-CB 4.4Å; R126-H148 PolarHBondContact NH1-CD2 3.16Å; R126-L153 WeakPolarHBondContact O-CD1 3.2Å; R126-H154 CarbonylContact C-O 3.52Å; R126-H154 WeakPolarHBondContact CB-NE2 3.16Å; R126-H154 PolarHBondContact N-O 2.97Å; R126-H154 PolarHBondContact O-N 2.83Å; R126-L156 HydrophobicContact CG-CB 4.43Å
127G93.9Very high91.5Very high0 Ų070.4 Ų70.40%035%0.351CS..SBendtrans86.4177.9-171.200000114.2S130 H148 E151 D152G127-S130 WeakPolarHBondContact O-CB 3Å; G127-S130 PolarHBondContact O-N 3.3Å; G127-H148 CarbonylContact C-O 3.54Å; G127-H148 WeakPolarHBondContact CA-O 3.44Å; G127-H148 PolarHBondContact N-O 3.38Å; G127-E151 CarbonylContact C-O 3.57Å; G127-E151 WeakPolarHBondContact CA-O 3.28Å; G127-D152 WeakPolarHBondContact CA-O 3.12Å
128K91.5Very high91.5Very high119 Ų11972 Ų7252%0.51735%0.345SS..THydrogen-bonded Turntrans-66135.7171.4174.4-169.9172.9-165.80111.4S130 E137 E151 L153K128-S130 VanDerWaalsContact C-N 3.29Å; K128-E137 WeakPolarHBondContact CA-OE1 3.44Å; K128-E151 VanDerWaalsContact CB-O 3.27Å; K128-E151 WeakPolarHBondContact CB-O 3.21Å; K128-E151 PolarHBondContact N-O 3.13Å; K128-L153 WeakPolarHBondContact O-CB 3.4Å; K128-L153 WeakPolarHBondContact O-CD1 3.42Å
129G89.4Confident91.7Very high44 Ų4475.9 Ų75.945%0.45437%0.365SS..THydrogen-bonded Turntrans80.36.6-173.300000114M131 E137G129-M131 VanDerWaalsContact C-N 3.29Å; G129-E137 WeakPolarHBondContact CA-OE2 3.4Å; G129-E137 VanDerWaalsContact N-CD 3.28Å; G129-E137 PolarHBondContact N-OE1 3.01Å; G129-E137 PolarHBondContact N-OE2 3.22Å
130S89.8Confident91.5Very high30 Ų3077 Ų7721%0.2137%0.371CS..  trans-74.9-18176.3-178.70000112.6V125 G127 K128 E137V125-S130 PolarHBondContact O-OG 2.87Å; G127-S130 WeakPolarHBondContact O-CB 3Å; G127-S130 PolarHBondContact O-N 3.3Å; K128-S130 VanDerWaalsContact C-N 3.29Å; S130-E137 PolarHBondContact N-OE2 3.14Å; S130-E137 VanDerWaalsContact N-OE2 3.1Å
131M90.6Very high91.4Very high51 Ų5182.1 Ų82.125%0.25138%0.377SS..SBendtrans-95.2137.6173.4-63.6-169.270.100111.5G129 D133 K136 E137 W146G129-M131 VanDerWaalsContact C-N 3.29Å; M131-D133 PolarHBondContact O-N 2.77Å; M131-K136 HydrophobicContact CE-CB 4.09Å; M131-E137 HydrophobicContact CB-CB 4.04Å; M131-E137 HydrophobicContact CB-CG 4.16Å; M131-E137 WeakPolarHBondContact CB-OE2 3.31Å; M131-E137 HydrophobicContact CG-CB 4.21Å; M131-E137 HydrophobicContact CG-CG 4.02Å; M131-E137 PolarHBondContact N-OE2 2.98Å; M131-E137 HydrophobicContact SD-CB 3.93Å; M131-E137 HydrophobicContact SD-CG 4.07Å; M131-W146 HydrophobicContact CE-CH2 4.27Å; M131-W146 HydrophobicContact CE-CZ3 4.29Å; M131-W146 HydrophobicContact CG-CZ3 4.43Å; M131-W146 HydrophobicContact SD-CE3 4.46Å; M131-W146 HydrophobicContact SD-CH2 4.14Å; M131-W146 HydrophobicContact SD-CZ3 3.58Å; M131-W146 VanDerWaalsContact SD-CZ3 3.58Å
132R89.1Confident91Very high248 Ų24885 Ų8594%0.93641%0.409SS*.SBendtrans-55.7-35.9171.7-174.8179.4-176.7-176.41.2113
133D91.9Very high90.7Very high70 Ų7084.2 Ų84.237%0.37441%0.405SS..  trans-103.386.2-176.3-64.9-30.5000110.8M131 K135 K136 E137M131-D133 PolarHBondContact O-N 2.77Å; D133-K135 PolarHBondContact O-N 3.34Å; D133-K136 HydrophobicContact CB-CB 4.04Å; D133-K136 HydrophobicContact CB-CD 3.77Å; D133-K136 HydrophobicContact CB-CG 3.86Å; D133-K136 WeakPolarHBondContact O-CA 3.43Å; D133-K136 WeakPolarHBondContact O-CB 3.46Å; D133-K136 PolarHBondContact O-N 3.4Å; D133-K136 WeakPolarHBondContact OD2-CD 3.24Å; D133-K136 VanDerWaalsContact OD2-CE 3.25Å; D133-K136 WeakPolarHBondContact OD2-CE 3.41Å; D133-K136 IonicContact OD2-NZ 2.69Å; D133-K136 PolarHBondContact OD2-NZ 2.8Å; D133-E137 PolarHBondContact O-N 2.99Å; D133-E137 VanDerWaalsContact O-N 3.13Å
134K90.4Very high90.3Very high138 Ų13888.1 Ų88.160%0.643%0.432SS*.Hα-helixtrans-48.1-38.8-179.2-176.5177.5171.3-176.70114K136 E137 E138K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.35Å; K134-E137 VanDerWaalsContact O-CB 3.28Å; K134-E137 WeakPolarHBondContact O-CB 3.34Å; K134-E137 PolarHBondContact O-N 2.86Å; K134-E138 WeakPolarHBondContact CE-OE1 3.17Å; K134-E138 IonicContact NZ-OE1 2.78Å; K134-E138 PolarHBondContact O-N 2.94Å
135K91.6Very high89.9Confident178 Ų17892.1 Ų92.177%0.77445%0.454SS*.Hα-helixtrans-61-36.5175.8-65.7-175.2177.9-177.70113.2D133 M139D133-K135 PolarHBondContact O-N 3.34Å; K135-M139 WeakPolarHBondContact O-CG 3.29Å; K135-M139 PolarHBondContact O-N 3.47Å
136K90.1Very high89.7Confident114 Ų11495.2 Ų95.250%0.49646%0.463SS..Hα-helixtrans-76.3-31176.3-62.9-179.1-172.4159.50111.5M131 D133 K134 M139 N140M131-K136 HydrophobicContact CE-CB 4.09Å; D133-K136 HydrophobicContact CB-CB 4.04Å; D133-K136 HydrophobicContact CB-CD 3.77Å; D133-K136 HydrophobicContact CB-CG 3.86Å; D133-K136 WeakPolarHBondContact O-CA 3.43Å; D133-K136 WeakPolarHBondContact O-CB 3.46Å; D133-K136 PolarHBondContact O-N 3.4Å; D133-K136 WeakPolarHBondContact OD2-CD 3.24Å; D133-K136 VanDerWaalsContact OD2-CE 3.25Å; D133-K136 WeakPolarHBondContact OD2-CE 3.41Å; D133-K136 IonicContact OD2-NZ 2.69Å; D133-K136 PolarHBondContact OD2-NZ 2.8Å; K134-K136 VanDerWaalsContact C-N 3.33Å; K134-K136 PolarHBondContact O-N 3.35Å; K136-M139 PolarHBondContact O-N 2.97Å; K136-N140 WeakPolarHBondContact O-CB 3.18Å; K136-N140 PolarHBondContact O-N 3.08Å; K136-N140 PolarHBondContact O-ND2 3.42Å
137E90.9Very high89.6Confident12 Ų1297.9 Ų97.96%0.05648%0.479CS..Hα-helixtrans-61.1-52174.3-159.217996.500110.9K128 G129 S130 M131 D133 K134 M139 N140 R141 L149K128-E137 WeakPolarHBondContact CA-OE1 3.44Å; G129-E137 WeakPolarHBondContact CA-OE2 3.4Å; G129-E137 VanDerWaalsContact N-CD 3.28Å; G129-E137 PolarHBondContact N-OE1 3.01Å; G129-E137 PolarHBondContact N-OE2 3.22Å; S130-E137 PolarHBondContact N-OE2 3.14Å; S130-E137 VanDerWaalsContact N-OE2 3.1Å; M131-E137 HydrophobicContact CB-CB 4.04Å; M131-E137 HydrophobicContact CB-CG 4.16Å; M131-E137 WeakPolarHBondContact CB-OE2 3.31Å; M131-E137 HydrophobicContact CG-CB 4.21Å; M131-E137 HydrophobicContact CG-CG 4.02Å; M131-E137 PolarHBondContact N-OE2 2.98Å; M131-E137 HydrophobicContact SD-CB 3.93Å; M131-E137 HydrophobicContact SD-CG 4.07Å; D133-E137 PolarHBondContact O-N 2.99Å; D133-E137 VanDerWaalsContact O-N 3.13Å; K134-E137 VanDerWaalsContact O-CB 3.28Å; K134-E137 WeakPolarHBondContact O-CB 3.34Å; K134-E137 PolarHBondContact O-N 2.86Å; E137-M139 VanDerWaalsContact C-N 3.28Å; E137-M139 PolarHBondContact O-N 3Å; E137-N140 PolarHBondContact O-N 2.91Å; E137-R141 PolarHBondContact O-N 3.01Å; E137-L149 HydrophobicContact CG-CD1 3.66Å; E137-L149 HydrophobicContact CG-CD2 3.52Å; E137-L149 HydrophobicContact CG-CG 4.09Å; E137-L149 WeakPolarHBondContact O-CD1 3.3Å
138E89.1Confident89.4Confident116 Ų11699.1 Ų99.154%0.54249%0.485SS..Hα-helixtrans-60.9-36.1178.8-70.1167.8178.700112K134 N140K134-E138 WeakPolarHBondContact CE-OE1 3.17Å; K134-E138 IonicContact NZ-OE1 2.78Å; K134-E138 PolarHBondContact O-N 2.94Å; E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 2.81Å
139M89.6Confident89.4Confident144 Ų14493.5 Ų93.571%0.70946%0.461SS*.THydrogen-bonded Turntrans-72.8-11.8173.7-70.5179.270.700115.3K135 K136 E137 K143K135-M139 WeakPolarHBondContact O-CG 3.29Å; K135-M139 PolarHBondContact O-N 3.47Å; K136-M139 PolarHBondContact O-N 2.97Å; E137-M139 VanDerWaalsContact C-N 3.28Å; E137-M139 PolarHBondContact O-N 3Å; M139-K143 WeakPolarHBondContact O-CE 3.36Å; M139-K143 PolarHBondContact O-NZ 3.29Å
140N86.4Confident89.3Confident31 Ų3195 Ų9517%0.16646%0.464CS..THydrogen-bonded Turntrans-108.7-14.3179-74.9-27.6000113.4K136 E137 E138 G142 K143 W146 L149K136-N140 WeakPolarHBondContact O-CB 3.18Å; K136-N140 PolarHBondContact O-N 3.08Å; K136-N140 PolarHBondContact O-ND2 3.42Å; E137-N140 PolarHBondContact O-N 2.91Å; E138-N140 VanDerWaalsContact C-N 3.29Å; E138-N140 PolarHBondContact O-N 2.81Å; N140-G142 PolarHBondContact O-N 3.16Å; N140-K143 HydrophobicContact CB-CD 4.48Å; N140-K143 WeakPolarHBondContact O-CB 3.5Å; N140-K143 WeakPolarHBondContact O-CG 3.36Å; N140-K143 PolarHBondContact O-N 3.45Å; N140-K143 VanDerWaalsContact O-N 3.17Å; N140-K143 PolarHBondContact OD1-NZ 3.32Å; N140-W146 HydrophobicContact CB-CD2 3.91Å; N140-W146 HydrophobicContact CB-CE3 4.06Å; N140-W146 HydrophobicContact CB-CG 4.21Å; N140-W146 HydrophobicContact CB-CZ3 4.49Å; N140-W146 VanDerWaalsContact O-CB 3.27Å; N140-W146 WeakPolarHBondContact O-CB 3.43Å; N140-L149 HydrophobicContact CB-CD1 4.09Å
141R87.6Confident89.4Confident145 Ų14596.2 Ų96.255%0.54747%0.466SS..THydrogen-bonded Turntrans-57132.2176.8-158174.3-166-141.6-2110.7E137 L149 S150E137-R141 PolarHBondContact O-N 3.01Å; R141-L149 HydrophobicContact CB-CB 4.41Å; R141-L149 HydrophobicContact CG-CB 4.08Å; R141-L149 PolarHBondContact NE-O 3.15Å; R141-S150 PolarHBondContact NH2-O 3.35Å
142G85.6Confident89.6Confident69 Ų6997 Ų9771%0.71147%0.471SS*.THydrogen-bonded Turntrans83.51.4-177.800000115.8N140N140-G142 PolarHBondContact O-N 3.16Å
143K89.9Confident89.8Confident93 Ų9385.8 Ų85.840%0.40443%0.43SS..SBendtrans-80.7149.5167.8-64177.9-169.61680110.5M139 N140 W146M139-K143 WeakPolarHBondContact O-CE 3.36Å; M139-K143 PolarHBondContact O-NZ 3.29Å; N140-K143 HydrophobicContact CB-CD 4.48Å; N140-K143 WeakPolarHBondContact O-CB 3.5Å; N140-K143 WeakPolarHBondContact O-CG 3.36Å; N140-K143 PolarHBondContact O-N 3.45Å; N140-K143 VanDerWaalsContact O-N 3.17Å; N140-K143 PolarHBondContact OD1-NZ 3.32Å; K143-W146 HydrophobicContact CB-CB 4.21Å; K143-W146 HydrophobicContact CB-CG 4.27Å; K143-W146 WeakPolarHBondContact O-CA 3.24Å; K143-W146 WeakPolarHBondContact O-CB 3.3Å; K143-W146 PolarHBondContact O-N 3.41Å
144P86.1Confident90Very high96 Ų9682.6 Ų82.662%0.62341%0.413SS*.THydrogen-bonded Turntrans-57.2142.9172.824.8-34.6000110.6W146P144-W146 PolarHBondContact O-N 2.89Å
145N86.1Confident90.2Very high143 Ų14376 Ų7677%0.76538%0.384SS*.THydrogen-bonded Turntrans68.6-10.8-167.9-49.3-77.3000116.2H148N145-H148 PolarHBondContact O-CD2 3.21Å; N145-H148 VanDerWaalsContact O-CD2 3.3Å
146W90.1Very high90.4Very high86 Ų8668.5 Ų68.533%0.32635%0.353SS..  trans-1068177.9-63.690.8000113.4M131 N140 K143 P144 H148 L149M131-W146 HydrophobicContact CE-CH2 4.27Å; M131-W146 HydrophobicContact CE-CZ3 4.29Å; M131-W146 HydrophobicContact CG-CZ3 4.43Å; M131-W146 HydrophobicContact SD-CE3 4.46Å; M131-W146 HydrophobicContact SD-CH2 4.14Å; M131-W146 HydrophobicContact SD-CZ3 3.58Å; M131-W146 VanDerWaalsContact SD-CZ3 3.58Å; N140-W146 HydrophobicContact CB-CD2 3.91Å; N140-W146 HydrophobicContact CB-CE3 4.06Å; N140-W146 HydrophobicContact CB-CG 4.21Å; N140-W146 HydrophobicContact CB-CZ3 4.49Å; N140-W146 VanDerWaalsContact O-CB 3.27Å; N140-W146 WeakPolarHBondContact O-CB 3.43Å; K143-W146 HydrophobicContact CB-CB 4.21Å; K143-W146 HydrophobicContact CB-CG 4.27Å; K143-W146 WeakPolarHBondContact O-CA 3.24Å; K143-W146 WeakPolarHBondContact O-CB 3.3Å; K143-W146 PolarHBondContact O-N 3.41Å; P144-W146 PolarHBondContact O-N 2.89Å; W146-H148 PolarHBondContact O-N 2.9Å; W146-H148 VanDerWaalsContact O-N 3.15Å; W146-L149 HydrophobicContact CB-CD1 4.25Å; W146-L149 HydrophobicContact CD2-CD1 4.43Å; W146-L149 HydrophobicContact CE3-CD1 3.63Å; W146-L149 HydrophobicContact CE3-CG 4.16Å; W146-L149 HydrophobicContact CZ3-CD1 4.36Å; W146-L149 VanDerWaalsContact O-CB 3.31Å; W146-L149 WeakPolarHBondContact O-CB 3.35Å; W146-L149 WeakPolarHBondContact O-CG 3.41Å; W146-L149 PolarHBondContact O-N 3.49Å
147E91.3Very high90.7Very high129 Ų12963.1 Ų63.160%0.60333%0.329SS*.G310 helixtrans-54.5-32177.9-69.6161-155.700112.7L149 S150E147-L149 PolarHBondContact O-N 2.88Å; E147-S150 VanDerWaalsContact O-CB 3.29Å; E147-S150 WeakPolarHBondContact O-CB 3.42Å; E147-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-OG 3.01Å
148H89.4Confident90.9Very high26 Ų2663.6 Ų63.612%0.1233%0.333CS..G310 helixtrans-59.6-17.2175.170.277000114R126 G127 N145 W146 S150 E151R126-H148 HydrophobicContact CB-CB 4.4Å; R126-H148 PolarHBondContact NH1-CD2 3.16Å; G127-H148 CarbonylContact C-O 3.54Å; G127-H148 WeakPolarHBondContact CA-O 3.44Å; G127-H148 PolarHBondContact N-O 3.38Å; N145-H148 PolarHBondContact O-CD2 3.21Å; N145-H148 VanDerWaalsContact O-CD2 3.3Å; W146-H148 PolarHBondContact O-N 2.9Å; W146-H148 VanDerWaalsContact O-N 3.15Å; H148-S150 PolarHBondContact O-N 2.98Å; H148-E151 PolarHBondContact O-N 3.24Å
149L91.4Very high91.2Very high1 Ų158.1 Ų58.11%0.00531%0.307CS..G310 helixtrans-72.6-4.6171.5-60.4-176.6000112.9E137 N140 R141 W146 E147E137-L149 HydrophobicContact CG-CD1 3.66Å; E137-L149 HydrophobicContact CG-CD2 3.52Å; E137-L149 HydrophobicContact CG-CG 4.09Å; E137-L149 WeakPolarHBondContact O-CD1 3.3Å; N140-L149 HydrophobicContact CB-CD1 4.09Å; R141-L149 HydrophobicContact CB-CB 4.41Å; R141-L149 HydrophobicContact CG-CB 4.08Å; R141-L149 PolarHBondContact NE-O 3.15Å; W146-L149 HydrophobicContact CB-CD1 4.25Å; W146-L149 HydrophobicContact CD2-CD1 4.43Å; W146-L149 HydrophobicContact CE3-CD1 3.63Å; W146-L149 HydrophobicContact CE3-CG 4.16Å; W146-L149 HydrophobicContact CZ3-CD1 4.36Å; W146-L149 VanDerWaalsContact O-CB 3.31Å; W146-L149 WeakPolarHBondContact O-CB 3.35Å; W146-L149 WeakPolarHBondContact O-CG 3.41Å; W146-L149 PolarHBondContact O-N 3.49Å; E147-L149 PolarHBondContact O-N 2.88Å
150S88.5Confident91.5Very high74 Ų7458 Ų5852%0.51731%0.305SS..G310 helixtrans-82.1-30.5169.767.80000113R141 E147 H148R141-S150 PolarHBondContact NH2-O 3.35Å; E147-S150 VanDerWaalsContact O-CB 3.29Å; E147-S150 WeakPolarHBondContact O-CB 3.42Å; E147-S150 PolarHBondContact O-N 3.04Å; E147-S150 PolarHBondContact O-OG 3.01Å; H148-S150 PolarHBondContact O-N 2.98Å
151E92.3Very high91.8Very high57 Ų5757.2 Ų57.227%0.26630%0.301SS..SBendtrans-79.4160.1-178.3-56.3-175.3-158.700112.6K87 G127 K128 H148 H154K87-E151 IonicContact NZ-OE1 2.99Å; K87-E151 PolarHBondContact NZ-OE1 2.91Å; K87-E151 IonicContact NZ-OE2 3.67Å; K87-E151 PolarHBondContact NZ-OE2 3.17Å; G127-E151 CarbonylContact C-O 3.57Å; G127-E151 WeakPolarHBondContact CA-O 3.28Å; K128-E151 VanDerWaalsContact CB-O 3.27Å; K128-E151 WeakPolarHBondContact CB-O 3.21Å; K128-E151 PolarHBondContact N-O 3.13Å; H148-E151 PolarHBondContact O-N 3.24Å; E151-H154 IonicContact OE2-CE1 3.53Å; E151-H154 PolarHBondContact OE2-CE1 3.31Å; E151-H154 IonicContact OE2-ND1 3.96Å; E151-H154 IonicContact OE2-NE2 2.88Å
152D93.3Very high92Very high67 Ų6750.6 Ų50.636%0.35828%0.276SS..PPolyproline II helixtrans-65.9158.7169.5-85.3-23.3000111.7Y89 K93 G127 H154Y89-D152 HydrophobicContact CD1-CB 4.23Å; Y89-D152 HydrophobicContact CE1-CB 4.43Å; K93-D152 WeakPolarHBondContact CE-OD2 3.48Å; K93-D152 IonicContact NZ-OD2 2.65Å; K93-D152 PolarHBondContact NZ-OD2 2.94Å; G127-D152 WeakPolarHBondContact CA-O 3.12Å; D152-H154 PolarHBondContact O-N 3.06Å; D152-H154 PolarHBondContact O-ND1 3.2Å
153L94.6Very high92.3Very high12 Ų1251.9 Ų51.96%0.06326%0.264CS..SBendtrans-56124.3-178.5-169.771.7000111.2V90 V92 V101 V125 R126 K128V90-L153 HydrophobicContact CB-CB 4.31Å; V90-L153 HydrophobicContact CB-CD2 3.86Å; V90-L153 HydrophobicContact CB-CG 4.09Å; V90-L153 HydrophobicContact CG1-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CB 4.44Å; V90-L153 HydrophobicContact CG2-CD2 3.96Å; V90-L153 HydrophobicContact CG2-CG 3.87Å; V90-L153 PolarHBondContact N-O 3.49Å; V92-L153 HydrophobicContact CG1-CD2 3.65Å; V101-L153 HydrophobicContact CG2-CD1 4.14Å; V101-L153 HydrophobicContact CG2-CD2 3.83Å; V125-L153 HydrophobicContact CG1-CD1 4.19Å; R126-L153 WeakPolarHBondContact O-CD1 3.2Å; K128-L153 WeakPolarHBondContact O-CB 3.4Å; K128-L153 WeakPolarHBondContact O-CD1 3.42Å
154H94.9Very high92.2Very high3 Ų351 Ų511%0.01426%0.263CS..EExtended strand (participates in β ladder)trans-147.8155.4-178.963-90.5000112.7L88 Y89 R126 E151 D152L88-H154 CarbonylContact O-C 3.5Å; L88-H154 WeakPolarHBondContact O-CA 3.29Å; L88-H154 WeakPolarHBondContact O-CB 3.37Å; Y89-H154 HydrophobicContact CD1-CB 3.83Å; Y89-H154 HydrophobicContact CE1-CB 4.12Å; Y89-H154 HydrophobicContact CG-CB 4.42Å; R126-H154 CarbonylContact C-O 3.52Å; R126-H154 WeakPolarHBondContact CB-NE2 3.16Å; R126-H154 PolarHBondContact N-O 2.97Å; R126-H154 PolarHBondContact O-N 2.83Å; E151-H154 IonicContact OE2-CE1 3.53Å; E151-H154 PolarHBondContact OE2-CE1 3.31Å; E151-H154 IonicContact OE2-ND1 3.96Å; E151-H154 IonicContact OE2-NE2 2.88Å; D152-H154 PolarHBondContact O-N 3.06Å; D152-H154 PolarHBondContact O-ND1 3.2Å
155V95.9Very high92.4Very high0 Ų049.3 Ų49.30%025%0.245CC..EExtended strand (participates in β ladder)trans-95.7118.9165.5-174.20000107.7L88 I104 I123 I157 V177L88-V155 PolarHBondContact N-O 3.36Å; L88-V155 PolarHBondContact O-N 3.05Å; I104-V155 HydrophobicContact CD1-CG2 3.94Å; I123-V155 HydrophobicContact CG2-CG1 3.64Å; V155-I157 HydrophobicContact CG1-CG1 4.11Å; V155-V177 HydrophobicContact CB-CG1 4.2Å; V155-V177 HydrophobicContact CG1-CG1 4.27Å; V155-V177 HydrophobicContact CG2-CG1 4.06Å
156L95.5Very high92.7Very high21 Ų2142.5 Ų42.511%0.1121%0.208CC..EExtended strand (participates in β ladder)trans-90.3116.7168.7177.269.6000108.2Q85 K87 M124 R126 T158Q85-L156 HydrophobicContact CB-CD1 4.29Å; K87-L156 HydrophobicContact CG-CD1 3.84Å; M124-L156 HydrophobicContact CB-CB 4.44Å; M124-L156 PolarHBondContact N-O 2.96Å; M124-L156 PolarHBondContact O-N 3.43Å; R126-L156 HydrophobicContact CG-CB 4.43Å; L156-T158 HydrophobicContact CD1-CG2 4.23Å; L156-T158 HydrophobicContact CD2-CG2 4.16Å; L156-T158 HydrophobicContact CG-CG2 3.9Å
157I96.5Very high92.7Very high0 Ų043.5 Ų43.50%022%0.215CC..EExtended strand (participates in β ladder)trans-102.4126.1173.2-55.1173.6000107.3Q85 E86 L88 C121 K122 V155 L170 A173 I174 V177Q85-I157 CarbonylContact C-O 3.55Å; Q85-I157 VanDerWaalsContact CA-O 3.25Å; Q85-I157 WeakPolarHBondContact CA-O 3.36Å; E86-I157 PolarHBondContact N-O 3.37Å; E86-I157 PolarHBondContact O-N 3.46Å; L88-I157 HydrophobicContact CD1-CD1 3.81Å; C121-I157 HydrophobicContact CB-CG2 3.91Å; K122-I157 CarbonylContact O-C 3.09Å; K122-I157 WeakPolarHBondContact O-CA 3.4Å; V155-I157 HydrophobicContact CG1-CG1 4.11Å; I157-L170 HydrophobicContact CB-CD1 4.12Å; I157-L170 HydrophobicContact CG2-CD1 3.74Å; I157-A173 HydrophobicContact CD1-CB 4.24Å; I157-A173 HydrophobicContact CG2-CB 3.94Å; I157-I174 HydrophobicContact CD1-CG1 3.89Å; I157-V177 HydrophobicContact CD1-CB 4.33Å; I157-V177 HydrophobicContact CD1-CG2 4Å
158T95.5Very high92.7Very high22 Ų2240.3 Ų40.314%0.13520%0.201CC..EExtended strand (participates in β ladder)trans-124.4144.3173.974.20000111.7L84 Q85 K122 L156L84-T158 CarbonylContact O-C 3.56Å; L84-T158 WeakPolarHBondContact O-CA 3.44Å; Q85-T158 HydrophobicContact CB-CG2 3.86Å; K122-T158 PolarHBondContact N-O 3.15Å; K122-T158 PolarHBondContact O-N 3.03Å; L156-T158 HydrophobicContact CD1-CG2 4.23Å; L156-T158 HydrophobicContact CD2-CG2 4.16Å; L156-T158 HydrophobicContact CG-CG2 3.9Å
159V95.5Very high92.8Very high2 Ų240.5 Ų40.51%0.01220%0.202CC..EExtended strand (participates in β ladder)trans-136136.3-175.1-169.80000109.3Q83 L84 C121 A166 K169 L170Q83-V159 CarbonylContact C-O 3.58Å; Q83-V159 VanDerWaalsContact CA-O 3.29Å; Q83-V159 WeakPolarHBondContact CA-O 3.47Å; L84-V159 PolarHBondContact N-O 3.25Å; L84-V159 PolarHBondContact O-N 3.24Å; C121-V159 HydrophobicContact CB-CG2 3.95Å; C121-V159 WeakPolarHBondContact SG-CG2 3.47Å; V159-A166 HydrophobicContact CG1-CB 4.16Å; V159-K169 HydrophobicContact CG1-CB 3.98Å; V159-K169 HydrophobicContact CG1-CD 3.95Å; V159-L170 HydrophobicContact CG2-CB 3.92Å; V159-L170 HydrophobicContact CG2-CD1 4.07Å
160E94.3Very high92.9Very high140 Ų14041.1 Ų41.165%0.65421%0.205SC*.EExtended strand (participates in β ladder)trans-123103.1177.1-172.6174.4162.800108.5V81V81-E160 HydrophobicContact CG1-CG 3.83Å
161D92.9Very high93.1Very high15 Ų1541.8 Ų41.88%0.0820%0.2CC..EExtended strand (participates in β ladder)trans-162.9178-179.4-148.5-50.4000109.5A82 R165 A166 K169A82-D161 PolarHBondContact N-O 3.17Å; A82-D161 PolarHBondContact O-N 2.94Å; D161-R165 HydrophobicContact CB-CB 4.31Å; D161-R165 VanDerWaalsContact CG-NH1 3.29Å; D161-R165 WeakPolarHBondContact OD1-CB 3.32Å; D161-R165 WeakPolarHBondContact OD1-CD 3.39Å; D161-R165 IonicContact OD1-CZ 2.95Å; D161-R165 IonicContact OD1-NE 3.81Å; D161-R165 IonicContact OD1-NH1 3.79Å; D161-R165 PolarHBondContact OD1-NH1 3.04Å; D161-R165 IonicContact OD2-CZ 2.75Å; D161-R165 IonicContact OD2-NH1 3.62Å; D161-R165 PolarHBondContact OD2-NH1 2.89Å; D161-A166 HydrophobicContact CB-CB 4.01Å; D161-K169 WeakPolarHBondContact OD2-CE 3.25Å; D161-K169 IonicContact OD2-NZ 2.92Å; D161-K169 PolarHBondContact OD2-NZ 3.28Å
162T93.3Very high93Very high6 Ų642.7 Ų42.74%0.03720%0.201CC..EExtended strand (participates in β ladder)trans-60145.7165570000111.4A77 G79 N164 R165 A166A77-T162 HydrophobicContact CB-CG2 3.78Å; G79-T162 WeakPolarHBondContact O-CG2 3.5Å; T162-N164 PolarHBondContact O-N 2.86Å; T162-R165 PolarHBondContact O-N 3.06Å; T162-R165 VanDerWaalsContact OG1-CD 3.24Å; T162-R165 WeakPolarHBondContact OG1-CD 3.45Å; T162-R165 WeakPolarHBondContact OG1-CG 3.41Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.48Å; T162-A166 PolarHBondContact O-N 2.97Å
163H90.8Very high93Very high97 Ų9739.5 Ų39.545%0.44918%0.184SC..Hα-helixtrans-53.3-36.3-169.1-172.271.9000114.6K167H163-K167 WeakPolarHBondContact O-CG 3.13Å; H163-K167 PolarHBondContact O-N 2.77Å
164N88.3Confident92.9Very high73 Ų7339 Ų3939%0.3918%0.181SC..Hα-helixtrans-69.4-47.4179.1-65.1-10.9000111.8T162T162-N164 PolarHBondContact O-N 2.86Å
165R90.4Very high92.8Very high61 Ų6142.8 Ų42.823%0.2320%0.201CC..Hα-helixtrans-71.2-39.3179.5-60.3173.686.4-132.312.8111.5P75 D161 T162 K167 I168 K169P75-R165 HydrophobicContact CG-CG 4.22Å; P75-R165 WeakPolarHBondContact O-CD 3.44Å; P75-R165 WeakPolarHBondContact O-CG 3.27Å; P75-R165 PolarHBondContact O-NE 3.3Å; D161-R165 HydrophobicContact CB-CB 4.31Å; D161-R165 VanDerWaalsContact CG-NH1 3.29Å; D161-R165 WeakPolarHBondContact OD1-CB 3.32Å; D161-R165 WeakPolarHBondContact OD1-CD 3.39Å; D161-R165 IonicContact OD1-CZ 2.95Å; D161-R165 IonicContact OD1-NE 3.81Å; D161-R165 IonicContact OD1-NH1 3.79Å; D161-R165 PolarHBondContact OD1-NH1 3.04Å; D161-R165 IonicContact OD2-CZ 2.75Å; D161-R165 IonicContact OD2-NH1 3.62Å; D161-R165 PolarHBondContact OD2-NH1 2.89Å; T162-R165 PolarHBondContact O-N 3.06Å; T162-R165 VanDerWaalsContact OG1-CD 3.24Å; T162-R165 WeakPolarHBondContact OG1-CD 3.45Å; T162-R165 WeakPolarHBondContact OG1-CG 3.41Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 2.93Å; R165-I168 PolarHBondContact O-N 3.06Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3.37Å
166A91.6Very high92.4Very high0 Ų045.2 Ų45.20%021%0.213CC..Hα-helixtrans-59-41.217800000111.8L84 V159 D161 T162 L170L84-A166 HydrophobicContact CD1-CB 3.64Å; L84-A166 HydrophobicContact CG-CB 4.03Å; V159-A166 HydrophobicContact CG1-CB 4.16Å; D161-A166 HydrophobicContact CB-CB 4.01Å; T162-A166 VanDerWaalsContact O-CB 3.31Å; T162-A166 WeakPolarHBondContact O-CB 3.48Å; T162-A166 PolarHBondContact O-N 2.97Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.06Å
167K91.1Very high92.2Very high108 Ų10844.2 Ų44.247%0.4721%0.208SC..Hα-helixtrans-59.7-49.2174.5-80.5174.2174.4169.30112.5L84 H163 R165 L170 Q171L84-K167 HydrophobicContact CD1-CG 4.16Å; H163-K167 WeakPolarHBondContact O-CG 3.13Å; H163-K167 PolarHBondContact O-N 2.77Å; R165-K167 VanDerWaalsContact C-N 3.31Å; R165-K167 PolarHBondContact O-N 2.93Å; K167-L170 PolarHBondContact O-N 3.23Å; K167-Q171 WeakPolarHBondContact O-CG 3.49Å; K167-Q171 PolarHBondContact O-N 3.18Å
168I91.3Very high92Very high61 Ų6148.9 Ų48.931%0.31323%0.228SC..Hα-helixtrans-64.1-49.9-177.5-63.5165.1000110.3L74 P75 R165 L170 Q171 R172L74-I168 HydrophobicContact CD2-CG2 4.23Å; P75-I168 HydrophobicContact CG-CD1 3.63Å; R165-I168 PolarHBondContact O-N 3.06Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 3.41Å; I168-Q171 PolarHBondContact O-N 2.95Å; I168-R172 WeakPolarHBondContact O-CB 3.49Å; I168-R172 PolarHBondContact O-N 3.21Å
169K91.6Very high91.7Very high31 Ų3152.2 Ų52.214%0.13524%0.241CC..Hα-helixtrans-54.2-48.2174.2-75.3-177166.8178.20112.6L74 T119 C121 V159 D161 R165 R172 A173L74-K169 HydrophobicContact CD1-CG 4.4Å; L74-K169 HydrophobicContact CD2-CG 3.86Å; T119-K169 WeakPolarHBondContact O-CG 3.33Å; C121-K169 VanDerWaalsContact SG-C 3.59Å; C121-K169 PolarHBondContact SG-O 2.86Å; V159-K169 HydrophobicContact CG1-CB 3.98Å; V159-K169 HydrophobicContact CG1-CD 3.95Å; D161-K169 WeakPolarHBondContact OD2-CE 3.25Å; D161-K169 IonicContact OD2-NZ 2.92Å; D161-K169 PolarHBondContact OD2-NZ 3.28Å; R165-K169 WeakPolarHBondContact O-CG 3.47Å; R165-K169 PolarHBondContact O-N 3.37Å; K169-R172 PolarHBondContact O-N 2.95Å; K169-A173 PolarHBondContact O-N 3.46Å
170L93.7Very high91.3Very high13 Ų1352.5 Ų52.57%0.06824%0.242CC..Hα-helixtrans-61.3-50.4-179.7-179.554000110.8L84 E86 I157 V159 A166 K167 I168 R172 A173 I174L84-L170 HydrophobicContact CB-CD2 3.87Å; L84-L170 HydrophobicContact CD1-CD2 4.27Å; E86-L170 HydrophobicContact CB-CD1 3.96Å; E86-L170 HydrophobicContact CB-CD2 4.46Å; I157-L170 HydrophobicContact CB-CD1 4.12Å; I157-L170 HydrophobicContact CG2-CD1 3.74Å; V159-L170 HydrophobicContact CG2-CB 3.92Å; V159-L170 HydrophobicContact CG2-CD1 4.07Å; A166-L170 WeakPolarHBondContact O-CB 3.41Å; A166-L170 PolarHBondContact O-N 3.06Å; K167-L170 PolarHBondContact O-N 3.23Å; I168-L170 VanDerWaalsContact C-N 3.34Å; I168-L170 PolarHBondContact O-N 3.41Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.36Å; L170-A173 PolarHBondContact O-N 2.91Å; L170-I174 HydrophobicContact CD1-CD1 3.74Å; L170-I174 HydrophobicContact CD1-CG1 4.17Å; L170-I174 HydrophobicContact CG-CD1 3.63Å; L170-I174 WeakPolarHBondContact O-CB 3.37Å; L170-I174 VanDerWaalsContact O-CD1 3.26Å; L170-I174 WeakPolarHBondContact O-CD1 3.32Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 2.71Å
171Q92.3Very high91.1Very high89 Ų8946.7 Ų46.742%0.41622%0.215SC..Hα-helixtrans-61.7-38.7177.7-68.6-58.8-61.400112.6K167 I168 I174 N175K167-Q171 WeakPolarHBondContact O-CG 3.49Å; K167-Q171 PolarHBondContact O-N 3.18Å; I168-Q171 PolarHBondContact O-N 2.95Å; Q171-I174 PolarHBondContact O-N 3.45Å; Q171-N175 WeakPolarHBondContact O-CB 3.48Å; Q171-N175 PolarHBondContact O-N 3.38Å; Q171-N175 PolarHBondContact O-ND2 3.47Å
172R90.8Very high90.7Very high76 Ų7650.7 Ų50.729%0.28724%0.24SC..Hα-helixtrans-58.8-51172.8-172.1-178.6-179.2117.56.3111.4D70 T119 I168 K169 L170 I174 N175 E176D70-R172 PolarHBondContact O-NH1 3.36Å; T119-R172 HydrophobicContact CG2-CG 4.4Å; I168-R172 WeakPolarHBondContact O-CB 3.49Å; I168-R172 PolarHBondContact O-N 3.21Å; K169-R172 PolarHBondContact O-N 2.95Å; L170-R172 VanDerWaalsContact C-N 3.34Å; L170-R172 PolarHBondContact O-N 3.36Å; R172-I174 VanDerWaalsContact C-N 3.34Å; R172-I174 PolarHBondContact O-N 3.17Å; R172-N175 PolarHBondContact O-N 3.03Å; R172-E176 PolarHBondContact O-N 2.87Å; R172-E176 VanDerWaalsContact O-N 3.1Å
173A92.3Very high90.1Very high0 Ų051.8 Ų51.80%025%0.247CC..Hα-helixtrans-62.9-38.5177.700000113T119 C121 I157 K169 L170 E176 V177T119-A173 HydrophobicContact CG2-CB 3.86Å; C121-A173 HydrophobicContact CB-CB 3.98Å; I157-A173 HydrophobicContact CD1-CB 4.24Å; I157-A173 HydrophobicContact CG2-CB 3.94Å; K169-A173 PolarHBondContact O-N 3.46Å; L170-A173 PolarHBondContact O-N 2.91Å; A173-E176 PolarHBondContact O-N 3.21Å; A173-V177 WeakPolarHBondContact O-CB 3.45Å; A173-V177 WeakPolarHBondContact O-CG2 3.46Å; A173-V177 PolarHBondContact O-N 2.99Å
174I93.1Very high89.5Confident0 Ų049 Ų490%024%0.241CC..Hα-helixtrans-61.8-43.9175.4-72.9156.7000111.2E86 L88 I157 L170 Q171 R172 V177 K178E86-I174 HydrophobicContact CB-CD1 4.16Å; E86-I174 HydrophobicContact CG-CD1 4.18Å; E86-I174 WeakPolarHBondContact OE1-CD1 3.37Å; E86-I174 WeakPolarHBondContact OE2-CD1 3.45Å; L88-I174 HydrophobicContact CD1-CB 4.33Å; L88-I174 HydrophobicContact CD1-CG1 4.22Å; L88-I174 HydrophobicContact CD1-CG2 4.14Å; L88-I174 HydrophobicContact CD2-CG2 4.22Å; I157-I174 HydrophobicContact CD1-CG1 3.89Å; L170-I174 HydrophobicContact CD1-CD1 3.74Å; L170-I174 HydrophobicContact CD1-CG1 4.17Å; L170-I174 HydrophobicContact CG-CD1 3.63Å; L170-I174 WeakPolarHBondContact O-CB 3.37Å; L170-I174 VanDerWaalsContact O-CD1 3.26Å; L170-I174 WeakPolarHBondContact O-CD1 3.32Å; L170-I174 WeakPolarHBondContact O-CG1 3.3Å; L170-I174 PolarHBondContact O-N 2.71Å; Q171-I174 PolarHBondContact O-N 3.45Å; R172-I174 VanDerWaalsContact C-N 3.34Å; R172-I174 PolarHBondContact O-N 3.17Å; I174-V177 PolarHBondContact O-N 2.64Å; I174-K178 HydrophobicContact CG2-CD 3.78Å; I174-K178 HydrophobicContact CG2-CG 4.41Å; I174-K178 WeakPolarHBondContact O-CB 3.5Å; I174-K178 VanDerWaalsContact O-CG 3.23Å; I174-K178 WeakPolarHBondContact O-CG 3.18Å; I174-K178 PolarHBondContact O-N 2.97Å
175N91.5Very high88.9Confident83 Ų8348.1 Ų48.144%0.44424%0.244SC..Hα-helixtrans-66.9-41.9-179.6-70.6-18.5000111.7Q171 R172 K178 K179Q171-N175 WeakPolarHBondContact O-CB 3.48Å; Q171-N175 PolarHBondContact O-N 3.38Å; Q171-N175 PolarHBondContact O-ND2 3.47Å; R172-N175 PolarHBondContact O-N 3.03Å; N175-K178 PolarHBondContact O-N 3.45Å; N175-K179 WeakPolarHBondContact O-CG 3.25Å; N175-K179 PolarHBondContact O-N 3.25Å
176E88.9Confident87.6Confident51 Ų5153 Ų5324%0.23827%0.269CS..Hα-helixtrans-65.2-44.9173.6-63.9-47.7133.800112.4L115 R172 A173 K178 K179 L180L115-E176 HydrophobicContact CD1-CB 3.61Å; L115-E176 HydrophobicContact CD1-CG 3.92Å; L115-E176 HydrophobicContact CD2-CB 4.34Å; R172-E176 PolarHBondContact O-N 2.87Å; R172-E176 VanDerWaalsContact O-N 3.1Å; A173-E176 PolarHBondContact O-N 3.21Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.43Å; E176-K179 WeakPolarHBondContact O-CB 3.3Å; E176-K179 PolarHBondContact O-N 3.24Å; E176-K179 WeakPolarHBondContact OE1-CE 3.24Å; E176-K179 IonicContact OE1-NZ 2.86Å; E176-K179 PolarHBondContact OE1-NZ 3.33Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 WeakPolarHBondContact OE2-CE 3.47Å; E176-K179 IonicContact OE2-NZ 2.68Å; E176-K179 PolarHBondContact OE2-NZ 2.88Å; E176-L180 PolarHBondContact O-N 2.87Å
177V91.8Very high86.5Confident0 Ų055.7 Ų55.70%030%0.297CS..Hα-helixtrans-62.5-38.4176.1172.80000111.1L88 L115 V155 I157 A173 I174 K179 L180 L181L88-V177 HydrophobicContact CD1-CB 3.93Å; L88-V177 HydrophobicContact CD1-CG1 3.71Å; L115-V177 HydrophobicContact CD2-CG2 3.93Å; V155-V177 HydrophobicContact CB-CG1 4.2Å; V155-V177 HydrophobicContact CG1-CG1 4.27Å; V155-V177 HydrophobicContact CG2-CG1 4.06Å; I157-V177 HydrophobicContact CD1-CB 4.33Å; I157-V177 HydrophobicContact CD1-CG2 4Å; A173-V177 WeakPolarHBondContact O-CB 3.45Å; A173-V177 WeakPolarHBondContact O-CG2 3.46Å; A173-V177 PolarHBondContact O-N 2.99Å; I174-V177 PolarHBondContact O-N 2.64Å; V177-K179 VanDerWaalsContact C-N 3.34Å; V177-K179 PolarHBondContact O-N 2.84Å; V177-L180 WeakPolarHBondContact O-CB 3.5Å; V177-L180 PolarHBondContact O-N 3.16Å; V177-L181 HydrophobicContact CG1-CD1 4.04Å; V177-L181 HydrophobicContact CG1-CG 4.23Å; V177-L181 WeakPolarHBondContact O-CG 3.31Å; V177-L181 PolarHBondContact O-N 2.77Å
178K91.7Very high85.8Confident98 Ų9857.3 Ų57.343%0.42631%0.307SS..Hα-helixtrans-59.2-39.3174.4-79168.3179.6166.60112.7I174 N175 E176 L180 L181 V182I174-K178 HydrophobicContact CG2-CD 3.78Å; I174-K178 HydrophobicContact CG2-CG 4.41Å; I174-K178 WeakPolarHBondContact O-CB 3.5Å; I174-K178 VanDerWaalsContact O-CG 3.23Å; I174-K178 WeakPolarHBondContact O-CG 3.18Å; I174-K178 PolarHBondContact O-N 2.97Å; N175-K178 PolarHBondContact O-N 3.45Å; E176-K178 VanDerWaalsContact C-N 3.31Å; E176-K178 PolarHBondContact O-N 3.43Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.67Å; K178-L181 PolarHBondContact O-N 2.8Å; K178-V182 PolarHBondContact O-N 3.27Å
179K88.5Confident85.5Confident93 Ų9354.9 Ų54.940%0.40429%0.294SS..Hα-helixtrans-59.3-39.7172.7-62.9173.4-165.3169.50111.8N175 E176 V177 L181 V182N175-K179 WeakPolarHBondContact O-CG 3.25Å; N175-K179 PolarHBondContact O-N 3.25Å; E176-K179 WeakPolarHBondContact O-CB 3.3Å; E176-K179 PolarHBondContact O-N 3.24Å; E176-K179 WeakPolarHBondContact OE1-CE 3.24Å; E176-K179 IonicContact OE1-NZ 2.86Å; E176-K179 PolarHBondContact OE1-NZ 3.33Å; E176-K179 WeakPolarHBondContact OE2-CD 3.4Å; E176-K179 WeakPolarHBondContact OE2-CE 3.47Å; E176-K179 IonicContact OE2-NZ 2.68Å; E176-K179 PolarHBondContact OE2-NZ 2.88Å; V177-K179 VanDerWaalsContact C-N 3.34Å; V177-K179 PolarHBondContact O-N 2.84Å; K179-L181 VanDerWaalsContact C-N 3.33Å; K179-V182 PolarHBondContact O-N 3.43Å
180L88.1Confident85.2Confident7 Ų757 Ų574%0.03731%0.307CS..Hα-helixtrans-70.8-27.8179.3-58.8175.4000113.1R103 I104 L115 E176 V177 K178 V182 L191R103-L180 PolarHBondContact NH1-O 2.67Å; I104-L180 HydrophobicContact CG1-CB 3.96Å; I104-L180 HydrophobicContact CG1-CD1 4.13Å; L115-L180 HydrophobicContact CD2-CD1 4.17Å; E176-L180 PolarHBondContact O-N 2.87Å; V177-L180 WeakPolarHBondContact O-CB 3.5Å; V177-L180 PolarHBondContact O-N 3.16Å; K178-L180 VanDerWaalsContact C-N 3.29Å; K178-L180 PolarHBondContact O-N 2.67Å; L180-V182 VanDerWaalsContact C-N 3.35Å; L180-L191 HydrophobicContact CD2-CD2 3.3Å
181L88.9Confident84.8Confident19 Ų1956.6 Ų56.610%0.09931%0.305CS..Hα-helixtrans-80.1-8.1177.9-66.2176.1000114.3L88 V90 F100 I104 V177 K178 K179L88-L181 HydrophobicContact CB-CD1 4.31Å; V90-L181 HydrophobicContact CB-CD2 4.17Å; V90-L181 HydrophobicContact CG1-CD2 3.88Å; V90-L181 HydrophobicContact CG2-CD2 3.87Å; F100-L181 HydrophobicContact CD1-CD2 4.3Å; F100-L181 WeakPolarHBondContact CE1-O 3.46Å; I104-L181 HydrophobicContact CD1-CD2 4.01Å; V177-L181 HydrophobicContact CG1-CD1 4.04Å; V177-L181 HydrophobicContact CG1-CG 4.23Å; V177-L181 WeakPolarHBondContact O-CG 3.31Å; V177-L181 PolarHBondContact O-N 2.77Å; K178-L181 PolarHBondContact O-N 2.8Å; K179-L181 VanDerWaalsContact C-N 3.33Å
182V85.9Confident84.7Confident98 Ų9855.9 Ų55.959%0.59430%0.3SS*.SBendtrans-91.5116.3169.1-179.20000108.9R103 K178 K179 L180 A184R103-V182 PolarHBondContact NH1-O 2.85Å; K178-V182 PolarHBondContact O-N 3.27Å; K179-V182 PolarHBondContact O-N 3.43Å; L180-V182 VanDerWaalsContact C-N 3.35Å; V182-A184 PolarHBondContact O-N 3.21Å
183P80.1Confident84.6Confident30 Ų3057.2 Ų57.220%0.19531%0.308CS..PPolyproline II helixtrans-70.1125.6176.229.4-32.9000110.1Y95 F98Y95-P183 HydrophobicContact CD1-CG 3.67Å; Y95-P183 HydrophobicContact CD2-CG 3.82Å; Y95-P183 HydrophobicContact CE1-CG 3.75Å; Y95-P183 HydrophobicContact CE2-CG 3.91Å; Y95-P183 HydrophobicContact CG-CG 3.71Å; F98-P183 HydrophobicContact CD1-CB 4.07Å; F98-P183 HydrophobicContact CD2-CB 3.59Å; F98-P183 HydrophobicContact CE1-CB 4.08Å; F98-P183 HydrophobicContact CE2-CB 3.61Å; F98-P183 HydrophobicContact CG-CB 3.82Å; F98-P183 HydrophobicContact CZ-CB 3.86Å
184A78.1Confident84.3Confident38 Ų3858 Ų5831%0.31431%0.312SS..PPolyproline II helixtrans-83.3155.5168.800000110.1V182 D189V182-A184 PolarHBondContact O-N 3.21Å; A184-D189 HydrophobicContact CB-CB 3.89Å
185A74.9Confident84.3Confident55 Ų5558.9 Ų58.946%0.45532%0.316SS..PPolyproline II helixtrans-60.9147.8179.300000112G187 E188 D189A185-G187 PolarHBondContact O-N 2.94Å; A185-G187 VanDerWaalsContact O-N 3.12Å; A185-E188 HydrophobicContact CB-CB 4.42Å; A185-E188 HydrophobicContact CB-CG 4.34Å; A185-E188 PolarHBondContact O-N 3.42Å; A185-D189 PolarHBondContact O-N 3.5Å
186E64.5Low84.3Confident163 Ų16359.8 Ų59.876%0.76232%0.321SS*.THydrogen-bonded Turntrans-60.6115.1177.6-72.3-103.495.400110.1K192E186-K192 IonicContact OE1-NZ 3.6Å; E186-K192 PolarHBondContact OE1-NZ 3.28Å
187G66.8Low84.3Confident57 Ų5759.5 Ų59.559%0.58832%0.32SS*.THydrogen-bonded Turntrans105.2-21.6-175.200000114.5A185 K193A185-G187 PolarHBondContact O-N 2.94Å; A185-G187 VanDerWaalsContact O-N 3.12Å; G187-K193 WeakPolarHBondContact O-CE 3.44Å; G187-K193 PolarHBondContact O-NZ 3Å
188E77.1Confident84.2Confident142 Ų14260 Ų6066%0.66432%0.322SS*.THydrogen-bonded Turntrans-94.7-22.6177.3-63.9-174.3160.800112.9A185 N190A185-E188 HydrophobicContact CB-CB 4.42Å; A185-E188 HydrophobicContact CB-CG 4.34Å; A185-E188 PolarHBondContact O-N 3.42Å; E188-N190 VanDerWaalsContact C-N 3.34Å; E188-N190 PolarHBondContact O-N 2.94Å; E188-N190 PolarHBondContact O-OD1 2.96Å
189D84.3Confident84.3Confident9 Ų958.3 Ų58.35%0.04832%0.317CS..  trans-66.682.2-179.2-163.9-2000113.2R103 A184 A185 L191 K192 K193R103-D189 IonicContact CZ-OD1 3.36Å; R103-D189 IonicContact CZ-OD2 2.59Å; R103-D189 IonicContact NE-OD1 3.8Å; R103-D189 IonicContact NE-OD2 3.48Å; R103-D189 PolarHBondContact NE-OD2 3.31Å; R103-D189 IonicContact NH2-OD1 3.15Å; R103-D189 PolarHBondContact NH2-OD1 3.44Å; R103-D189 IonicContact NH2-OD2 3.64Å; R103-D189 PolarHBondContact NH2-OD2 2.86Å; R103-D189 VanDerWaalsContact NH2-OD2 3.15Å; A184-D189 HydrophobicContact CB-CB 3.89Å; A185-D189 PolarHBondContact O-N 3.5Å; D189-L191 PolarHBondContact O-N 2.91Å; D189-L191 WeakPolarHBondContact OD1-CB 3.44Å; D189-K192 HydrophobicContact CB-CB 3.81Å; D189-K192 HydrophobicContact CB-CD 4.35Å; D189-K192 WeakPolarHBondContact O-CB 3.18Å; D189-K192 PolarHBondContact O-N 3.01Å; D189-K192 VanDerWaalsContact O-N 3.15Å; D189-K192 PolarHBondContact OD1-N 2.89Å; D189-K192 VanDerWaalsContact OD2-CB 3.29Å; D189-K192 WeakPolarHBondContact OD2-CB 3.32Å; D189-K193 PolarHBondContact O-N 3.39Å; D189-K193 VanDerWaalsContact O-N 3.11Å
190N85.5Confident84.4Confident75 Ų7554.8 Ų54.840%0.40131%0.306SS..Hα-helixtrans-61.7-31.2180-66.9-33.4000112.7T60 E188 K193 M194T60-N190 HydrophobicContact CG2-CB 4.21Å; E188-N190 VanDerWaalsContact C-N 3.34Å; E188-N190 PolarHBondContact O-N 2.94Å; E188-N190 PolarHBondContact O-OD1 2.96Å; N190-K193 WeakPolarHBondContact O-CB 3.29Å; N190-K193 PolarHBondContact O-N 3.28Å; N190-K193 PolarHBondContact OD1-NZ 3.48Å; N190-M194 PolarHBondContact O-N 3.43Å
191L86.8Confident84.5Confident5 Ų554.6 Ų54.63%0.02631%0.305CS..Hα-helixtrans-61.6-49.5172168.760.7000111.3Y57 R103 L180 D189 K193 M194 Q195Y57-L191 HydrophobicContact CD2-CD1 4.17Å; Y57-L191 HydrophobicContact CE2-CD1 3.25Å; Y57-L191 WeakPolarHBondContact OH-CD1 3.49Å; R103-L191 HydrophobicContact CG-CD2 4.02Å; L180-L191 HydrophobicContact CD2-CD2 3.3Å; D189-L191 PolarHBondContact O-N 2.91Å; D189-L191 WeakPolarHBondContact OD1-CB 3.44Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.3Å; L191-M194 PolarHBondContact O-N 3.32Å; L191-M194 VanDerWaalsContact O-N 3.17Å; L191-Q195 HydrophobicContact CD1-CG 3.97Å; L191-Q195 WeakPolarHBondContact O-CG 3.44Å; L191-Q195 PolarHBondContact O-N 2.69Å
192K88.3Confident84.4Confident75 Ų7554.8 Ų54.833%0.32631%0.306SS..Hα-helixtrans-58.9-39175.7179.6179.6180177.80111.5E186 D189 L196E186-K192 IonicContact OE1-NZ 3.6Å; E186-K192 PolarHBondContact OE1-NZ 3.28Å; D189-K192 HydrophobicContact CB-CB 3.81Å; D189-K192 HydrophobicContact CB-CD 4.35Å; D189-K192 WeakPolarHBondContact O-CB 3.18Å; D189-K192 PolarHBondContact O-N 3.01Å; D189-K192 VanDerWaalsContact O-N 3.15Å; D189-K192 PolarHBondContact OD1-N 2.89Å; D189-K192 VanDerWaalsContact OD2-CB 3.29Å; D189-K192 WeakPolarHBondContact OD2-CB 3.32Å; K192-L196 HydrophobicContact CG-CD1 4.04Å; K192-L196 WeakPolarHBondContact O-CB 3.44Å; K192-L196 WeakPolarHBondContact O-CD1 3.36Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 2.76Å
193K88.8Confident84.6Confident103 Ų10354.9 Ų54.945%0.44830%0.303SS..Hα-helixtrans-61.1-49.7173.1-61.6172.3-162.9161.10111.8G187 D189 N190 L191 L196 M197G187-K193 WeakPolarHBondContact O-CE 3.44Å; G187-K193 PolarHBondContact O-NZ 3Å; D189-K193 PolarHBondContact O-N 3.39Å; D189-K193 VanDerWaalsContact O-N 3.11Å; N190-K193 WeakPolarHBondContact O-CB 3.29Å; N190-K193 PolarHBondContact O-N 3.28Å; N190-K193 PolarHBondContact OD1-NZ 3.48Å; L191-K193 VanDerWaalsContact C-N 3.28Å; L191-K193 PolarHBondContact O-N 3.3Å; K193-L196 PolarHBondContact O-N 3.02Å; K193-M197 WeakPolarHBondContact O-CB 3.41Å; K193-M197 PolarHBondContact O-N 2.9Å
194M87.5Confident84.9Confident16 Ų1656.4 Ų56.48%0.07932%0.324CS..Hα-helixtrans-61.4-45.3180-178-177.7169.300112.1M56 Y57 N190 L191 L196 M197 E198M56-M194 HydrophobicContact CB-CE 3.57Å; M56-M194 HydrophobicContact CB-SD 4.05Å; Y57-M194 HydrophobicContact CD2-CE 4.23Å; Y57-M194 HydrophobicContact CD2-SD 4.03Å; N190-M194 PolarHBondContact O-N 3.43Å; L191-M194 PolarHBondContact O-N 3.32Å; L191-M194 VanDerWaalsContact O-N 3.17Å; M194-L196 PolarHBondContact O-N 2.75Å; M194-M197 WeakPolarHBondContact O-CB 3.47Å; M194-M197 PolarHBondContact O-N 3.43Å; M194-E198 PolarHBondContact O-N 3.39Å
195Q92.2Very high85.4Confident19 Ų1959.2 Ų59.29%0.08934%0.337CS..Hα-helixtrans-63.5-40.1177.8-73.5-179.7-24.600112.8R103 T111 L191 L199R103-Q195 PolarHBondContact O-NE2 2.65Å; T111-Q195 PolarHBondContact OG1-NE2 2.78Å; L191-Q195 HydrophobicContact CD1-CG 3.97Å; L191-Q195 WeakPolarHBondContact O-CG 3.44Å; L191-Q195 PolarHBondContact O-N 2.69Å; Q195-L199 VanDerWaalsContact O-CB 3.3Å; Q195-L199 WeakPolarHBondContact O-CB 3.34Å; Q195-L199 PolarHBondContact O-N 3.05Å
196L91.3Very high85.9Confident103 Ų10359 Ų5954%0.53933%0.325SS..Hα-helixtrans-69.9-37.6176.5-71.8171000112.2K192 K193 M194 L199 A200K192-L196 HydrophobicContact CG-CD1 4.04Å; K192-L196 WeakPolarHBondContact O-CB 3.44Å; K192-L196 WeakPolarHBondContact O-CD1 3.36Å; K192-L196 WeakPolarHBondContact O-CG 3.49Å; K192-L196 PolarHBondContact O-N 2.76Å; K193-L196 PolarHBondContact O-N 3.02Å; M194-L196 PolarHBondContact O-N 2.75Å; L196-L199 PolarHBondContact O-N 2.92Å; L196-A200 PolarHBondContact O-N 3.24Å
197M89.9Confident86.6Confident45 Ų4561.9 Ų61.922%0.22233%0.329CS..Hα-helixtrans-60.6-51172.6170.5167.375.200111.5P15 M56 K193 M194 L199 A200 I201 Y206P15-M197 HydrophobicContact CB-CE 3.83Å; P15-M197 HydrophobicContact CB-SD 3.6Å; P15-M197 VanDerWaalsContact CB-SD 3.6Å; P15-M197 HydrophobicContact CG-SD 4.32Å; M56-M197 HydrophobicContact CE-CE 3.55Å; K193-M197 WeakPolarHBondContact O-CB 3.41Å; K193-M197 PolarHBondContact O-N 2.9Å; M194-M197 WeakPolarHBondContact O-CB 3.47Å; M194-M197 PolarHBondContact O-N 3.43Å; M197-L199 VanDerWaalsContact C-N 3.3Å; M197-L199 PolarHBondContact O-N 2.98Å; M197-A200 WeakPolarHBondContact O-CB 3.45Å; M197-A200 PolarHBondContact O-N 2.9Å; M197-A200 VanDerWaalsContact O-N 3.14Å; M197-I201 HydrophobicContact CG-CD1 4.14Å; M197-I201 WeakPolarHBondContact O-CG1 3.48Å; M197-I201 PolarHBondContact O-N 3.31Å; M197-Y206 HydrophobicContact CB-CE2 4.38Å; M197-Y206 HydrophobicContact CG-CD2 4.15Å; M197-Y206 HydrophobicContact CG-CE2 3.54Å; M197-Y206 HydrophobicContact SD-CE2 4.02Å
198E89.9Confident86.6Confident10 Ų1062 Ų625%0.04732%0.316CS..Hα-helixtrans-63.8-37178-164.9-163.6133.200111.8M22 R53 P107 L110 M194 A200 I201 L202M22-E198 HydrophobicContact CE-CG 4.05Å; M22-E198 HydrophobicContact SD-CG 4.22Å; R53-E198 IonicContact CZ-OE1 3.35Å; R53-E198 VanDerWaalsContact CZ-OE1 3.23Å; R53-E198 IonicContact CZ-OE2 2.67Å; R53-E198 VanDerWaalsContact NE-CD 3.26Å; R53-E198 IonicContact NE-OE1 3.88Å; R53-E198 PolarHBondContact NE-OE1 3.23Å; R53-E198 VanDerWaalsContact NE-OE1 3.16Å; R53-E198 IonicContact NE-OE2 2.67Å; R53-E198 PolarHBondContact NE-OE2 3.25Å; R53-E198 IonicContact NH2-OE1 3.39Å; R53-E198 PolarHBondContact NH2-OE1 2.89Å; R53-E198 IonicContact NH2-OE2 3.16Å; P107-E198 HydrophobicContact CG-CB 4.15Å; P107-E198 HydrophobicContact CG-CG 4.3Å; L110-E198 VanDerWaalsContact CD1-OE1 3.3Å; L110-E198 WeakPolarHBondContact CD1-OE1 3.42Å; M194-E198 PolarHBondContact O-N 3.39Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 2.94Å; E198-I201 PolarHBondContact O-N 2.99Å; E198-L202 WeakPolarHBondContact O-CG 3.22Å; E198-L202 PolarHBondContact O-N 3.13Å
199L92Very high85.8Confident62 Ų6260.4 Ų60.433%0.32533%0.327SS..Hα-helixtrans-62.1-38.5174.1-174.759.7000112P107 Q195 L196 M197 L202 N203P107-L199 HydrophobicContact CB-CB 4.3Å; P107-L199 HydrophobicContact CB-CD1 4.45Å; Q195-L199 VanDerWaalsContact O-CB 3.3Å; Q195-L199 WeakPolarHBondContact O-CB 3.34Å; Q195-L199 PolarHBondContact O-N 3.05Å; L196-L199 PolarHBondContact O-N 2.92Å; M197-L199 VanDerWaalsContact C-N 3.3Å; M197-L199 PolarHBondContact O-N 2.98Å; L199-L202 PolarHBondContact O-N 2.99Å; L199-N203 WeakPolarHBondContact O-CB 3.41Å; L199-N203 PolarHBondContact O-N 3.35Å; L199-N203 PolarHBondContact O-ND2 3.36Å
200A91.3Very high84.3Confident20 Ų2066.6 Ų66.617%0.16536%0.36CS..Hα-helixtrans-67.1-37.5174.100000112.3L196 M197 E198 N203 G204 T205 Y206L196-A200 PolarHBondContact O-N 3.24Å; M197-A200 WeakPolarHBondContact O-CB 3.45Å; M197-A200 PolarHBondContact O-N 2.9Å; M197-A200 VanDerWaalsContact O-N 3.14Å; E198-A200 VanDerWaalsContact C-N 3.32Å; E198-A200 PolarHBondContact O-N 2.94Å; A200-N203 PolarHBondContact O-N 3.49Å; A200-G204 PolarHBondContact O-N 3.2Å; A200-T205 PolarHBondContact O-N 3.37Å; A200-Y206 HydrophobicContact CB-CD2 4.16Å; A200-Y206 PolarHBondContact O-N 3.37Å; A200-Y206 VanDerWaalsContact O-N 3.17Å
201I89.4Confident82.7Confident3 Ų367.1 Ų67.12%0.01537%0.366CS..Hα-helixtrans-65.3-43174.3-69.1167.4000111.1M19 M22 K26 M197 E198 N203 G204 Y206M19-I201 HydrophobicContact CB-CD1 4.11Å; M19-I201 HydrophobicContact CB-CG1 4.22Å; M19-I201 HydrophobicContact CB-CG2 3.93Å; M19-I201 HydrophobicContact CG-CG2 4.08Å; M22-I201 HydrophobicContact CB-CG2 4.36Å; M22-I201 HydrophobicContact CE-CG2 4.11Å; M22-I201 HydrophobicContact SD-CG2 4.06Å; K26-I201 PolarHBondContact NZ-O 3.02Å; M197-I201 HydrophobicContact CG-CD1 4.14Å; M197-I201 WeakPolarHBondContact O-CG1 3.48Å; M197-I201 PolarHBondContact O-N 3.31Å; E198-I201 PolarHBondContact O-N 2.99Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 3.41Å; I201-G204 PolarHBondContact O-N 3.36Å; I201-Y206 HydrophobicContact CD1-CD1 4.43Å; I201-Y206 HydrophobicContact CD1-CG 4.44Å; I201-Y206 HydrophobicContact CG1-CD1 3.94Å; I201-Y206 HydrophobicContact CG1-CD2 4.15Å; I201-Y206 HydrophobicContact CG1-CG 3.67Å
202L88.3Confident80.8Confident23 Ų2376 Ų7612%0.1240%0.404CS..Hα-helixtrans-59.5-43.5174.1-78.2167.8000111.9M22 P107 R108 L110 E198 L199 G204M22-L202 HydrophobicContact CE-CD1 4.46Å; M22-L202 HydrophobicContact CE-CD2 3.36Å; M22-L202 HydrophobicContact CE-CG 3.54Å; P107-L202 HydrophobicContact CB-CD1 3.77Å; R108-L202 HydrophobicContact CG-CD1 4.1Å; L110-L202 HydrophobicContact CD1-CD1 4.47Å; E198-L202 WeakPolarHBondContact O-CG 3.22Å; E198-L202 PolarHBondContact O-N 3.13Å; L199-L202 PolarHBondContact O-N 2.99Å; L202-G204 VanDerWaalsContact C-N 3.33Å
203N90Very high78.3Confident100 Ų10077 Ų7754%0.53542%0.417SS..Hα-helixtrans-79.8-9.8-178.3-65.9-16.3000113.8L199 A200 I201 T205L199-N203 WeakPolarHBondContact O-CB 3.41Å; L199-N203 PolarHBondContact O-N 3.35Å; L199-N203 PolarHBondContact O-ND2 3.36Å; A200-N203 PolarHBondContact O-N 3.49Å; I201-N203 VanDerWaalsContact C-N 3.32Å; I201-N203 PolarHBondContact O-N 3.41Å; N203-T205 VanDerWaalsContact C-N 3.26Å; N203-T205 HydrophobicContact CB-CG2 4.23Å; N203-T205 PolarHBondContact O-N 3.15Å
204G86.3Confident76.1Confident62 Ų6277.7 Ų77.764%0.63943%0.432SS*.THydrogen-bonded Turntrans7118.9-174.600000114.2A200 I201 L202A200-G204 PolarHBondContact O-N 3.2Å; I201-G204 PolarHBondContact O-N 3.36Å; L202-G204 VanDerWaalsContact C-N 3.33Å
205T88.8Confident74.4Confident96 Ų9683.4 Ų83.459%0.58947%0.468SS*.  trans-105.12.3179.564.10000113.1A200 N203A200-T205 PolarHBondContact O-N 3.37Å; N203-T205 VanDerWaalsContact C-N 3.26Å; N203-T205 HydrophobicContact CB-CG2 4.23Å; N203-T205 PolarHBondContact O-N 3.15Å
206Y84.8Confident72Confident51 Ų5185.6 Ų85.620%0.249%0.489CS..  trans-64.1145.9174-169.9-112.2000111M19 M197 A200 I201 D208M19-Y206 HydrophobicContact CE-CD1 4.17Å; M19-Y206 HydrophobicContact SD-CD1 3.97Å; M197-Y206 HydrophobicContact CB-CE2 4.38Å; M197-Y206 HydrophobicContact CG-CD2 4.15Å; M197-Y206 HydrophobicContact CG-CE2 3.54Å; M197-Y206 HydrophobicContact SD-CE2 4.02Å; A200-Y206 HydrophobicContact CB-CD2 4.16Å; A200-Y206 PolarHBondContact O-N 3.37Å; A200-Y206 VanDerWaalsContact O-N 3.17Å; I201-Y206 HydrophobicContact CD1-CD1 4.43Å; I201-Y206 HydrophobicContact CD1-CG 4.44Å; I201-Y206 HydrophobicContact CG1-CD1 3.94Å; I201-Y206 HydrophobicContact CG1-CD2 4.15Å; I201-Y206 HydrophobicContact CG1-CG 3.67Å; Y206-D208 VanDerWaalsContact CE1-OD1 3.25Å; Y206-D208 WeakPolarHBondContact CE1-OD1 3.49Å
207R78.6Confident69.7Low224 Ų22485.4 Ų85.485%0.84550%0.503SS*.  trans-144.3128.3172.6-66.3-174.3178.4-171.7-1.5107.4A209R207-A209 PolarHBondContact O-N 2.71Å
208D67.9Low67.5Low58 Ų5892.2 Ų92.231%0.3153%0.532SS..  trans-68.5117.5-170-37.4-34.8000110.1Y206 N210 V211Y206-D208 VanDerWaalsContact CE1-OD1 3.25Å; Y206-D208 WeakPolarHBondContact CE1-OD1 3.49Å; D208-N210 PolarHBondContact O-N 3.24Å; D208-V211 HydrophobicContact CB-CB 4.37Å; D208-V211 HydrophobicContact CB-CG2 3.76Å; D208-V211 PolarHBondContact O-N 3.36Å; D208-V211 VanDerWaalsContact O-N 3.16Å; D208-V211 WeakPolarHBondContact OD2-CG2 3.16Å
209A60.5Low65.3Low109 Ų10997.5 Ų97.590%0.90157%0.566SS**THydrogen-bonded Turntrans-65-9.1-179.700000113.7R207R207-A209 PolarHBondContact O-N 2.71Å
210N52.3Low62.8Low139 Ų139102.6 Ų102.674%0.74359%0.593SS**THydrogen-bonded Turntrans-104.4-4.3-179.5-164.332.5000113.7D208 K212D208-N210 PolarHBondContact O-N 3.24Å; N210-K212 VanDerWaalsContact C-N 3.3Å; N210-K212 PolarHBondContact O-N 3.39Å
211V52.2Low60.2Low86 Ų86106 Ų10652%0.52162%0.621SS.*  trans-7588.3174.6171.20000109.5D208 T213D208-V211 HydrophobicContact CB-CB 4.37Å; D208-V211 HydrophobicContact CB-CG2 3.76Å; D208-V211 PolarHBondContact O-N 3.36Å; D208-V211 VanDerWaalsContact O-N 3.16Å; D208-V211 WeakPolarHBondContact OD2-CG2 3.16Å; V211-T213 VanDerWaalsContact C-N 3.26Å; V211-T213 HydrophobicContact CG1-CG2 3.9Å; V211-T213 PolarHBondContact O-N 3.04Å
212K45.8Very low58.1Low191 Ų191112.2 Ų112.283%0.8366%0.66SS**  trans-64.190.7157-67178.4-176.1174.20107.4N210 P214N210-K212 VanDerWaalsContact C-N 3.3Å; N210-K212 PolarHBondContact O-N 3.39Å; K212-P214 WeakPolarHBondContact O-CD 3.28Å
213T35.8Very low56.2Low98 Ų98116.4 Ų116.460%0.60169%0.688SS**  trans-56.8121.7177.950.10000110.3V211 T215V211-T213 VanDerWaalsContact C-N 3.26Å; V211-T213 HydrophobicContact CG1-CG2 3.9Å; V211-T213 PolarHBondContact O-N 3.04Å; T213-T215 PolarHBondContact O-N 3.39Å
214P44.4Very low53.9Low117 Ų117120.8 Ų120.876%0.7671%0.705SS**  trans-69.1104.7164.328.5-31.1000107.7K212 A216K212-P214 WeakPolarHBondContact O-CD 3.28Å; P214-A216 VanDerWaalsContact C-N 3.25Å; P214-A216 PolarHBondContact O-N 2.91Å
215T50.1Low51.8Low136 Ų136122 Ų12283%0.83471%0.709SS**  trans-69.983178.7-53.90000110.1T213T213-T215 PolarHBondContact O-N 3.39Å
216A43.1Very low50Low64 Ų64123.7 Ų123.753%0.52972%0.722SS.*  trans-132.441.4-177.600000111.6P214 F218P214-A216 VanDerWaalsContact C-N 3.25Å; P214-A216 PolarHBondContact O-N 2.91Å; A216-F218 HydrophobicContact CB-CD2 4.42Å; A216-F218 HydrophobicContact CB-CE2 4.38Å; A216-F218 PolarHBondContact O-N 3.34Å
217A42.7Very low48.1Very low100 Ų100131.6 Ų131.683%0.82675%0.751SS**  trans-7279.6169.800000110.1P219A217-P219 VanDerWaalsContact O-CD 3.24Å; A217-P219 WeakPolarHBondContact O-CD 3.38Å
218F42.6Very low46.3Very low188 Ų188128.9 Ų128.983%0.82575%0.752SS**  trans-75114.6169.4-78.2-89000109.8A216 L220A216-F218 HydrophobicContact CB-CD2 4.42Å; A216-F218 HydrophobicContact CB-CE2 4.38Å; A216-F218 PolarHBondContact O-N 3.34Å; F218-L220 PolarHBondContact O-N 3.05Å
219P45.3Very low45.1Very low120 Ų120131.8 Ų131.878%0.77977%0.766SS**  trans-73.2111167.530.1-31.8000108.9A217 A221A217-P219 VanDerWaalsContact O-CD 3.24Å; A217-P219 WeakPolarHBondContact O-CD 3.38Å; P219-A221 PolarHBondContact O-N 3.16Å; P219-A221 VanDerWaalsContact O-N 3.15Å
220L37.9Very low43.9Very low170 Ų170133.3 Ų133.389%0.8976%0.764SS**  trans-67.8111.6174.7-178.462.3000109.4F218F218-L220 PolarHBondContact O-N 3.05Å
221A38.4Very low43.3Very low90 Ų90130.1 Ų130.174%0.74476%0.764SS**  trans-78.2137.6-176.200000112.5P219P219-A221 PolarHBondContact O-N 3.16Å; P219-A221 VanDerWaalsContact O-N 3.15Å
222T44.4Very low43.2Very low135 Ų135132.3 Ų132.383%0.82878%0.78SS**  trans-109.6141.6165.147.80000110.2
223P49.2Very low42.9Very low110 Ų110129.2 Ų129.271%0.71478%0.778SS**  trans-97.3139.9-168.634.9-34.3000115.4
224Q40.4Very low43.6Very low193 Ų193130.3 Ų130.390%0.90279%0.786SS**  trans67.6149.6153.2-6317813.500117.8
225A43.2Very low43.5Very low86 Ų86130.5 Ų130.571%0.71179%0.785SS**  cis-171.4-177.7-15.600000107.7
226P51.6Low43Very low132 Ų132131.7 Ų131.786%0.85779%0.785SS**  cis-123.9-154.9-7.239-19.4000113.8
227R44.7Very low43.3Very low217 Ų217134.3 Ų134.382%0.81980%0.797SS**  trans-113.8153.9-163.1-57.2173.2173.4178.2-3.8116.8I229R227-I229 HydrophobicContact CB-CD1 4.09Å; R227-I229 HydrophobicContact CB-CG1 4.36Å
228I39.9Very low44.3Very low167 Ų167135.2 Ų135.286%0.85679%0.794SS**  trans-146.3134.4149.4-63.2-173.1000107.1
229I43.8Very low44Very low120 Ų120133.5 Ų133.562%0.61580%0.8SS**  cis95.6106.99.7-56.1171.8000113.7R227R227-I229 HydrophobicContact CB-CD1 4.09Å; R227-I229 HydrophobicContact CB-CG1 4.36Å
230T34.4Very low43.7Very low141 Ų141135 Ų13587%0.86580%0.8SS**  cis-162.9165.31-6.30000111
231G38.6Very low43.6Very low72 Ų72138.1 Ų138.174%0.74280%0.8SS**  trans165.7148.1165.200000115.9
232P50.7Low43.5Very low132 Ų132141 Ų14186%0.85780%0.803SS**  trans-117.4178-168.742.8-33.6000117.8
233T39.5Very low43.9Very low126 Ų126139.9 Ų139.977%0.77380%0.798SS**  trans-80.6158.8178.952.80000114.3
234P51.3Low43.5Very low120 Ų120138.8 Ų138.878%0.77980%0.798SS**  -145.4146.291.725.8-3000115.6
235V41.3Very low43.7Very low121 Ų121135.8 Ų135.873%0.73380%0.795SS**  79.499.178-1760000118
236L39.3Very low43.4Very low162 Ų162137.6 Ų137.685%0.84880%0.798SS**  trans55174148-64.7175.5000119.8
237P50.6Low42.7Very low119 Ų119136.9 Ų136.977%0.77379%0.791SS**  cis-127.2-169.40.645-28.1000114.8
238P63.1Low42.7Very low119 Ų119132.7 Ų132.777%0.77379%0.79SS**  trans-109.8162.5-172.939.9-32.5000116.8
239T36.7Very low43.3Very low152 Ų152130.1 Ų130.193%0.93378%0.784SS**  trans-143.4172175.2470000114.8
240L38.3Very low43Very low152 Ų152130.2 Ų130.280%0.79679%0.79SS**  trans-106.1161.3-160.8-117.783.6000116
241R36.3Very low43.4Very low235 Ų235130.7 Ų130.789%0.88779%0.786SS**  trans89.2146142.1-105.5172.5179.6164.4-0.8123.1
242N37.1Very low43.6Very low150 Ų150135.8 Ų135.880%0.80279%0.792SS**  trans-71.7177.3168.1-126.528.4000111.9
243P51.1Low43.5Very low112 Ų112134.1 Ų134.173%0.72778%0.782SS**  cis-137.5-166.11342.2-22000116.1
244A41.3Very low43.4Very low87 Ų87136.3 Ų136.372%0.71979%0.788SS**  trans-81.5172.6175.400000114.3
245P46Very low43.2Very low129 Ų129137.5 Ų137.584%0.83879%0.786SS**  -144.7173.7107.240-25.9000117.8
246V36.9Very low43.2Very low125 Ų125143.3 Ų143.376%0.75880%0.795SS**  trans-61.8149.1-177.3-161.40000115.4
247T35.5Very low43.2Very low117 Ų117143.8 Ų143.872%0.71879%0.793SS**  171.9106.9110.743.90000116.9
248T44.4Very low42.7Very low129 Ų129145.4 Ų145.479%0.79179%0.793SS**  trans68.8179.7139.475.80000118.7
249P52.9Low41.5Very low113 Ų113148.6 Ų148.673%0.73480%0.798SS**  -131.1-172.3-109.635.6-12.8000115.2
250T37.4Very low41.5Very low122 Ų122146.8 Ų146.875%0.74879%0.791SS**  trans159.3142.4137.4-72.90000115.2
251I44.1Very low41.4Very low151 Ų151145.5 Ų145.577%0.77480%0.795SS**  trans70.8102.9160.2-77.6165.5000122.2
252M42.2Very low41.3Very low178 Ų178138.9 Ų138.988%0.87779%0.791SS**  59.5158.1128.9-68.8-107.9108.100124.4
253P47.4Very low41.3Very low98 Ų98140.1 Ų140.164%0.63680%0.796SS**  trans-117.5176.8-166.943.9-32.6000115.4
254L37.9Very low40.7Very low171 Ų171141.1 Ų141.190%0.89580%0.8SS**  trans-135.8115.8159.1-175.561.3000111.4
255I46.7Very low40.7Very low146 Ų146142.6 Ų142.675%0.74980%0.802SS**PPolyproline II helixtrans-95.4135.6172.4-72.5168.2000108.8
256R41Very low39.9Very low243 Ų243140.3 Ų140.392%0.91780%0.802SS**PPolyproline II helixtrans-91.2120.6176.7-156.5174.4-168.6176.53.2109.7
257Q40.2Very low39.6Very low172 Ų172139 Ų13980%0.80480%0.804SS**PPolyproline II helixtrans-71.4149.2-175.1-70.6178.1-84.100113.3
258I40.4Very low39.6Very low153 Ų153140.9 Ų140.979%0.78581%0.81SS**PPolyproline II helixtrans-92.9141.4160.9-60.1166.6000107.1
259Q38.4Very low39.4Very low186 Ų186140.4 Ų140.487%0.86981%0.809SS**  trans-115.3123.4164.4-76.8-169.8-15.400110.1
260S35.1Very low38.5Very low113 Ų113143.4 Ų143.479%0.7981%0.813SS**  trans-135.2106.9173.155.30000107.7
261S36.3Very low38.7Very low126 Ų126143.6 Ų143.688%0.88182%0.816SS**  trans-105.5130.4179.440.70000110.5
262A34.6Very low38.1Very low96 Ų96140.5 Ų140.579%0.79381%0.813SS**  trans-140.6129.3173.300000108.6
263L36.9Very low37.6Very low176 Ų176139.7 Ų139.792%0.92181%0.812SS**  trans-156.8121.1169.3-105.9152.8000109.4
264V40.1Very low36.8Very low132 Ų132140.8 Ų140.880%0.882%0.816SS**  trans-97.8171.6166.6-85.90000108.1
265P41.2Very low36.4Very low119 Ų119140.1 Ų140.177%0.77381%0.809SS**  cis-139.5157.216.639.5-20.3000118.9
266G29.2Very low35.6Very low80 Ų80141.7 Ų141.783%0.82581%0.813SS**  58.8110.3126.800000122.4
267A29.7Very low35Very low98 Ų98133.3 Ų133.381%0.8180%0.802SS**  trans-158.3138.3142.500000111.4
268N34.7Very low35.5Very low157 Ų157130.8 Ų130.884%0.8480%0.801SS**  trans-92.9145.3159.2-91.18.6000107.5
269P41Very low35Very low118 Ų118130.8 Ų130.877%0.76680%0.797SS**  -148.3166.98440.3-23.5000116.4
270H33.2Very low34.8Very low176 Ų176126.9 Ų126.982%0.81579%0.791SS**  trans-73.5157.6157.4-77.8-85.4000110.5
271P42.7Very low34.7Very low127 Ų127124.6 Ų124.683%0.82579%0.785SS**  -130.6179.198.536.3-27.5000113.2
272A31.7Very low34.8Very low86 Ų86126.6 Ų126.671%0.71178%0.784SS**  trans-112.7170.7176.800000111.2
273L30.3Very low34.8Very low160 Ų160129.1 Ų129.184%0.83878%0.783SS**  trans166136.2135.3-89.3162.3000111.3
274V31.2Very low34.7Very low122 Ų122131.6 Ų131.674%0.73978%0.781SS**  trans59151.6138.2169.80000119.7
275Q30.1Very low34.5Very low156 Ų156130.7 Ų130.773%0.72978%0.777SS**  cis-175.8173.3-31.9-166.9173.9-10.400106.6
276Q29.1Very low34.4Very low179 Ų179130.7 Ų130.784%0.83678%0.777SS**  trans81.5136.2162.4-55.4179.6-20.200119.1
277G28.2Very low34.6Very low68 Ų68136.7 Ų136.770%0.70178%0.776SS**  trans-116.4-146.9149.300000108.1
278P51.3Low34.7Very low119 Ų119140.2 Ų140.277%0.77378%0.775SS**  cis-130.2-117.66.339.4-17.9000112.8
279E31.1Very low34.9Very low152 Ų152142.5 Ų142.571%0.7177%0.774SS**  trans73.7112.5-172.7-55.2-47.1113.600115.7
280S34.3Very low34.9Very low105 Ų105141.9 Ų141.973%0.73477%0.77SS**  cis100.6140.84373.90000112.1
281G33Very low35.1Very low65 Ų65144.4 Ų144.467%0.6777%0.773SS**  cis172.6138.3-13.900000113.2
282I38.2Very low35.1Very low167 Ų167144 Ų14486%0.85677%0.769SS**  trans-147.3111167.4-60.3-177.7000105.6
283I34.1Very low35.5Very low150 Ų150148.4 Ų148.477%0.76978%0.78SS**  69.587.560-52.8-178.7000113.9
284Y34.4Very low35.9Very low227 Ų227146.2 Ų146.289%0.8977%0.773SS**  trans-143148.6135.9-146.5-94.5000109.2
285T35.4Very low36.3Very low114 Ų114146.4 Ų146.470%0.69978%0.777SS**  trans-94.9158.7-166.833.70000113.9
286P40.8Very low36.5Very low119 Ų119144.5 Ų144.577%0.77378%0.781SS**  trans-82.5162.6-171.934.3-37.1000113.4
287Y33Very low36.8Very low205 Ų205143.3 Ų143.380%0.80478%0.779SS**  trans-104.2123.6162-157.4-85.6000108.9Y289Y287-Y289 AromaticContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CE2 4.17Å; Y287-Y289 AromaticContact CE1-CD2 3.95Å; Y287-Y289 HydrophobicContact CE1-CD2 3.95Å; Y287-Y289 AromaticContact CE1-CE2 3.79Å; Y287-Y289 HydrophobicContact CE1-CE2 3.79Å
288E31.8Very low37.3Very low172 Ų172148.1 Ų148.180%0.80479%0.787SS**  trans-99.5120.8-169.7-169.1171.1175.300110.6
289Y37.6Very low36.4Very low206 Ų206150.8 Ų150.881%0.80879%0.789SS**  trans-118.3105.9179.3-117.3-75.4000110.4Y287 Y291Y287-Y289 AromaticContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CD2 3.92Å; Y287-Y289 HydrophobicContact CD1-CE2 4.17Å; Y287-Y289 AromaticContact CE1-CD2 3.95Å; Y287-Y289 HydrophobicContact CE1-CD2 3.95Å; Y287-Y289 AromaticContact CE1-CE2 3.79Å; Y287-Y289 HydrophobicContact CE1-CE2 3.79Å; Y289-Y291 PolarHBondContact O-N 3.26Å
290P42.8Very low36.6Very low104 Ų104153.3 Ų153.368%0.67579%0.794SS**  trans-88.8104.9-178.732.7-31.9000111.3
291Y36Very low36.8Very low229 Ų229154 Ų15490%0.89880%0.796SS**  trans-147129.9149.3-117-77.3000111.1Y289Y289-Y291 PolarHBondContact O-N 3.26Å
292T43.8Very low36.9Very low120 Ų120159 Ų15974%0.73681%0.806SS**  trans-85.7150-175.841.80000112.2T294T292-T294 PolarHBondContact O-N 3.06Å
293L40.1Very low36.5Very low178 Ų178158.1 Ų158.193%0.93280%0.802SS**  trans-70.3121.7173.2-69166.1000110.4
294T37.3Very low36.5Very low113 Ų113156.1 Ų156.169%0.69380%0.802SS**  trans-127.7122.3164.751.30000109.9T292 S296T292-T294 PolarHBondContact O-N 3.06Å; T294-S296 PolarHBondContact O-N 3.17Å
295P40.1Very low36.4Very low126 Ų126151.4 Ų151.482%0.81880%0.802SS**  trans-79.9108.417430.4-31.3000109.9I297P295-I297 PolarHBondContact O-N 2.97Å; P295-I297 VanDerWaalsContact O-N 3.12Å
296S33.6Very low36.3Very low117 Ų117149.6 Ų149.682%0.81881%0.806SS**  trans-7498172.1-64.60000111T294T294-S296 PolarHBondContact O-N 3.17Å
297I36.9Very low35.8Very low154 Ų154150.3 Ų150.379%0.7981%0.808SS**  trans-87.7123.6156.5-68.7178.5000107.4P295P295-I297 PolarHBondContact O-N 2.97Å; P295-I297 VanDerWaalsContact O-N 3.12Å
298L37.4Very low35.7Very low168 Ų168148.9 Ų148.988%0.8881%0.813SS**  trans-11096.6178.3177.572.9000108.5
299E32.3Very low35.8Very low175 Ų175146.8 Ų146.882%0.81881%0.812SS**  trans-145.6158.1170.4-142.3164.4162.600111.8
300Y36.4Very low36.3Very low205 Ų205142.3 Ų142.380%0.80481%0.808SS**PPolyproline II helixtrans-84152.7-156.7-81-107.5000114.3
301P38.7Very low35.6Very low119 Ų119143 Ų14377%0.77382%0.816SS**PPolyproline II helixtrans-68.1133.3164.730.5-33.7000110.4
302I34.5Very low36.2Very low172 Ų172137.6 Ų137.688%0.88281%0.809SS**PPolyproline II helixtrans-100.6120.2168.1-62.5174.6000107.1
303D30.6Very low35.5Very low147 Ų147137.8 Ų137.879%0.78681%0.813SS**  trans-118154.4177.1-128.8-39.1000113
304S33.4Very low35.1Very low109 Ų109135 Ų13576%0.76280%0.803SS**  trans-60.6134.1-161.6-58.10000115.8
305S32.6Very low34.6Very low127 Ų127139 Ų13989%0.88881%0.811SS**  -174.7141.1122.838.60000112
306G32Very low34.2Very low76 Ų76137.6 Ų137.678%0.78481%0.811SS**  trans-119.9132.9172.800000111.3
307V32.3Very low34.1Very low134 Ų134137.3 Ų137.381%0.81282%0.815SS**  trans-149.4123.5159147.50000107.2
308L30.9Very low33.7Very low176 Ų176133.7 Ų133.792%0.92182%0.816SS**  trans-141.3116.4163-83.6179000108.9
309V32.6Very low33.5Very low128 Ų128130 Ų13078%0.77681%0.81SS**  trans-98.6135.1172.8178.10000107.7
310P47.3Very low33.5Very low112 Ų112130 Ų13073%0.72781%0.812SS**  trans-82.6169.6-171.833-36.8000113.9
311S29.5Very low33.5Very low119 Ų119127.1 Ų127.183%0.83282%0.816SS**  trans-144.1150.7159.3-75.10000110.9
312P47.8Very low33.4Very low115 Ų115128.1 Ų128.175%0.74782%0.82SS**  trans-129139.1-151.536.6-18.7000117.1
313C28.9Very low33.4Very low123 Ų123129.9 Ų129.983%0.83182%0.821SS**  trans-165.385.4160.551.50000109.5
314V31.7Very low33.7Very low119 Ų119129.4 Ų129.472%0.72182%0.823SS**  58.294.880.4-1710000113.7
315F27.3Very low33.6Very low197 Ų197135.7 Ų135.786%0.86483%0.83SS**  -173.5152112.7-117.3-76.9000114.5
316A31.6Very low33.9Very low98 Ų98140.7 Ų140.781%0.8183%0.83SS**  trans65.9148160.300000119.7
317A31.2Very low34.1Very low110 Ų110146.2 Ų146.291%0.90984%0.835SS**  trans-127.9151.6-179.500000111.1
318G29.1Very low34.4Very low79 Ų79147.3 Ų147.381%0.81484%0.836SS**  trans-161.4120.4-177.600000113.5
319A32.3Very low34.8Very low90 Ų90147.5 Ų147.574%0.74483%0.83SS**  trans-46.4132.7-168.400000118.8
320M33.9Very low35.2Very low175 Ų175152.6 Ų152.686%0.86284%0.835SS**  trans-16.6128.4144.660.6-151163.800118.2
321T36.5Very low35.5Very low144 Ų144154.2 Ų154.288%0.88384%0.836SS**  trans-146.8145.7130.454.80000109.8
322T35.4Very low36.2Very low140 Ų140155.7 Ų155.786%0.85983%0.829SS**  trans-106.2141.2174.346.60000110.7
323K34.2Very low36.3Very low209 Ų209155.7 Ų155.791%0.90983%0.829SS**  trans-144.498.3170.9-129.6173.1-172.1173.80112.2R325K323-R325 PolarHBondContact O-N 3.43Å
324V36.5Very low36.9Very low137 Ų137160.5 Ų160.583%0.8383%0.832SS**PPolyproline II helixtrans-63.5121.3174.6176.10000109.7
325R32.8Very low37.5Very low242 Ų242162.8 Ų162.891%0.91383%0.834SS**PPolyproline II helixtrans-88.4120.6172.1-165.4169.4-174.7138.71.1109.2K323K323-R325 PolarHBondContact O-N 3.43Å
326R38.3Very low38.2Very low231 Ų231164.8 Ų164.887%0.87284%0.836SS**PPolyproline II helixtrans-70.4152.5-177.5-68.4178173.3170.6-3.3111.6D328R326-D328 PolarHBondContact O-N 2.94Å
327H35.8Very low39Very low192 Ų192166.2 Ų166.289%0.88983%0.834SS**PPolyproline II helixtrans-59.1132.5163.4-87.8-67.8000110.5
328D37.9Very low39.5Very low158 Ų158166.9 Ų166.985%0.84583%0.827SS**PPolyproline II helixtrans-96.2144.5167-145.8-38.4000110.1R326R326-D328 PolarHBondContact O-N 2.94Å
329K40.6Very low40.2Very low180 Ų180168.9 Ų168.978%0.78382%0.823SS**  trans-104111.9-173.6-73.9-171.2177.7-176.20110.3I331K329-I331 WeakPolarHBondContact O-CG1 3.09Å; K329-I331 PolarHBondContact O-N 3.16Å; K329-I331 VanDerWaalsContact O-N 3.13Å
330R41.2Very low40.6Very low234 Ų234171 Ų17188%0.88383%0.827SS**  trans-60.8110.6178.9-169.7-174.4-65.1-173.5-0.2111.1
331I52.4Low40.7Very low146 Ų146169.9 Ų169.975%0.74983%0.825SS**  trans-87.1138.8177.5-51.4-179.2000109.6K329K329-I331 WeakPolarHBondContact O-CG1 3.09Å; K329-I331 PolarHBondContact O-N 3.16Å; K329-I331 VanDerWaalsContact O-N 3.13Å
332H44.1Very low40.8Very low150 Ų150174.4 Ų174.469%0.69483%0.826SS**  trans-87.9150178.2-92.9-104.5000112.7Y334H332-Y334 VanDerWaalsContact C-N 3.25Å; H332-Y334 PolarHBondContact O-N 3.12Å
333P50.4Low41Very low115 Ų115172 Ų17275%0.74782%0.82SS**THydrogen-bonded Turntrans-78.918.1-163.132.6-38.6000116.5
334Y40.8Very low41.4Very low225 Ų225167 Ų16788%0.88282%0.818SS**THydrogen-bonded Turntrans-131.336.1-173.6-86.4-71.2000114.6H332H332-Y334 VanDerWaalsContact C-N 3.25Å; H332-Y334 PolarHBondContact O-N 3.12Å
335Q44.3Very low41.7Very low167 Ų167167.1 Ų167.178%0.7882%0.819SS**  trans-104.4107172.1-163.2132.69.600110.8V337Q335-V337 PolarHBondContact O-N 3.33Å
336R43.3Very low42.1Very low238 Ų238159.2 Ų159.290%0.89881%0.806SS**  trans-64.9127.1172.5-85.5-174.5173.7176.4-1.8109.9
337V48Very low42.7Very low128 Ų128155 Ų15578%0.77681%0.806SS**  trans-73.8127.1163.7-175.50000108.1Q335 T339Q335-V337 PolarHBondContact O-N 3.33Å; V337-T339 HydrophobicContact CG1-CG2 4.03Å
338V41.6Very low42.6Very low124 Ų124152.8 Ų152.875%0.75280%0.801SS**  trans-100.996.4171.9179.70000107.8T340V338-T340 PolarHBondContact O-N 3.43Å
339T44Very low43.9Very low121 Ų121153.9 Ų153.974%0.74282%0.816SS**  trans-80.6104172.849.10000109.6V337 D341V337-T339 HydrophobicContact CG1-CG2 4.03Å; T339-D341 PolarHBondContact O-N 3.44Å
340T41.3Very low44.1Very low134 Ų134152.6 Ų152.682%0.82282%0.818SS**  trans-80.9102.4167.1510000109.3V338V338-T340 PolarHBondContact O-N 3.43Å
341D35.5Very low44.2Very low153 Ų153148.3 Ų148.382%0.81882%0.815SS**  trans-130.5131.7168.8-151.2-31.8000109.6T339T339-D341 PolarHBondContact O-N 3.44Å
342R37.4Very low43.7Very low238 Ų238148.4 Ų148.490%0.89882%0.818SS**  trans-144.980.6-174.4-171.3179.1168.2147.4-0.4111.5
343A40.3Very low43.7Very low89 Ų89148.4 Ų148.474%0.73683%0.826SS**  trans47.9116.213600000119.2
344A41.8Very low43.3Very low104 Ų104150.4 Ų150.486%0.8683%0.83SS**  trans-126.4124.214500000109.6
345T44.3Very low43.5Very low140 Ų140145.5 Ų145.586%0.85983%0.827SS**  trans-73.2169.2168.2450000110.2
346A41.6Very low43.4Very low77 Ų77143.9 Ų143.964%0.63683%0.83SS**  cis-163.9164.831.100000115.5
347T50.8Low43.4Very low143 Ų143136.7 Ų136.788%0.87783%0.825SS**  trans68.7138.9145.742.30000122.4
348N33.9Very low43Very low145 Ų145137.4 Ų137.478%0.77583%0.829SS**  trans-91.8-165.8173.6-128.953.7000109.4
349P64.1Low43.2Very low181 Ų181138.6 Ų138.6100%1.17584%0.836SS**  cis-94.9027.737.6-38000116.5

Retrieved 349 of 349 residues in 1727.2 ms (Link to these results)