A0A077YX78_TRITR Loading...

Abhydro lipase and Abhydrolase 1 domain containin g protein

AlphaFold DB , UniProt , Accession A0A077YX78, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 592 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
1M72.8Confident86.5Confident131 Ų131105 Ų10565%0.64562%0.62SS**  0-64.90-70.8176.6176.100109.4D3 A4 G5 Y6 V8 V64M1-D3 PolarHBondContact O-N 3.1Å; M1-A4 CarbonylContact O-C 3.5Å; M1-A4 WeakPolarHBondContact O-CA 3.26Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 3.42Å; M1-G5 PolarHBondContact O-N 3.33Å; M1-Y6 WeakPolarHBondContact O-CD2 3.47Å; M1-Y6 PolarHBondContact O-N 3.33Å; M1-Y6 VanDerWaalsContact O-N 3.13Å; M1-V8 HydrophobicContact CB-CG2 3.52Å; M1-V64 HydrophobicContact CE-CG1 4.35Å; M1-V64 HydrophobicContact CE-CG2 4.03Å
2A83.8Confident87Confident69 Ų69101.6 Ų101.657%0.5760%0.597SS**G310 helixtrans-54.1-49.6174.100000113.1A4 G5 V8A2-A4 PolarHBondContact O-N 3.09Å; A2-A4 VanDerWaalsContact O-N 3.07Å; A2-G5 PolarHBondContact O-N 3.35Å; A2-V8 HydrophobicContact CB-CG2 4.4Å
3D77.3Confident87.3Confident174 Ų17499.1 Ų99.193%0.9358%0.578SS**G310 helixtrans-61.6-19.4175.6-60.8-13.5000114.1M1 G5M1-D3 PolarHBondContact O-N 3.1Å; D3-G5 VanDerWaalsContact C-N 3.32Å
4A78.2Confident87.8Confident70 Ų7096.9 Ų96.958%0.57956%0.555SS**G310 helixtrans-93.28.7176.100000112.3M1 A2 Y6M1-A4 CarbonylContact O-C 3.5Å; M1-A4 WeakPolarHBondContact O-CA 3.26Å; M1-A4 WeakPolarHBondContact O-CB 3.36Å; M1-A4 PolarHBondContact O-N 3.42Å; A2-A4 PolarHBondContact O-N 3.09Å; A2-A4 VanDerWaalsContact O-N 3.07Å; A4-Y6 HydrophobicContact CB-CD2 3.89Å; A4-Y6 HydrophobicContact CB-CE2 4.02Å
5G86.1Confident88Confident71 Ų7190.5 Ų90.573%0.73252%0.518SS*.THydrogen-bonded Turntrans85.48.6177.300000115.3M1 A2 D3M1-G5 PolarHBondContact O-N 3.33Å; A2-G5 PolarHBondContact O-N 3.35Å; D3-G5 VanDerWaalsContact C-N 3.32Å
6Y89.4Confident88.2Confident141 Ų14185.8 Ų85.855%0.55349%0.491SS*.  trans-79.7138.5175.7-68.2-94.2000111M1 A4M1-Y6 WeakPolarHBondContact O-CD2 3.47Å; M1-Y6 PolarHBondContact O-N 3.33Å; M1-Y6 VanDerWaalsContact O-N 3.13Å; A4-Y6 HydrophobicContact CB-CD2 3.89Å; A4-Y6 HydrophobicContact CB-CE2 4.02Å
7D92.1Very high88.2Confident109 Ų10983.2 Ų83.258%0.58348%0.475SS*.  trans-76.5117.4162.4-174.817.7000109.3W9 T56D7-W9 PolarHBondContact OD1-NE1 3.3Å; D7-W9 PolarHBondContact OD2-NE1 2.66Å; D7-T56 VanDerWaalsContact OD2-CG2 3.3Å; D7-T56 WeakPolarHBondContact OD2-CG2 3.48Å
8V94.2Very high88.3Confident65 Ų6585.6 Ų85.639%0.39448%0.476SS..  trans-112.1115.3-167.7-176.10000110.8M1 A2 L10M1-V8 HydrophobicContact CB-CG2 3.52Å; A2-V8 HydrophobicContact CB-CG2 4.4Å; V8-L10 HydrophobicContact CG1-CD2 4.31Å
9W94Very high88.5Confident113 Ų11383 Ų8343%0.42846%0.464SS..  trans-106.2134.6176.4-68.874.3000111.2D7 Y51 V52 V55 T56D7-W9 PolarHBondContact OD1-NE1 3.3Å; D7-W9 PolarHBondContact OD2-NE1 2.66Å; W9-Y51 HydrophobicContact CH2-CE1 4.14Å; W9-Y51 HydrophobicContact CZ3-CD1 4.29Å; W9-Y51 AromaticContact CZ3-CE1 3.92Å; W9-Y51 HydrophobicContact CZ3-CE1 3.92Å; W9-V52 HydrophobicContact CB-CG2 4.15Å; W9-V52 HydrophobicContact CD2-CG1 4.26Å; W9-V52 HydrophobicContact CD2-CG2 3.72Å; W9-V52 HydrophobicContact CE3-CG2 3.78Å; W9-V52 HydrophobicContact CG-CG1 4.06Å; W9-V52 HydrophobicContact CG-CG2 3.88Å; W9-V52 HydrophobicContact CZ3-CG2 4.43Å; W9-V55 HydrophobicContact CH2-CB 4.42Å; W9-V55 HydrophobicContact CH2-CG1 4Å; W9-V55 HydrophobicContact CZ2-CG1 4Å; W9-T56 HydrophobicContact CZ2-CG2 4.19Å
10L93Very high88.6Confident154 Ų15482.7 Ų82.781%0.80646%0.458SS*.  trans-110.3104.3178.9-58.4-179.9000110.1V8V8-L10 HydrophobicContact CG1-CD2 4.31Å
11G91Very high88.7Confident58 Ų5881.9 Ų81.960%0.59847%0.469SS*.  trans-76.1142.3-178.200000114M48G11-M48 VanDerWaalsContact CA-SD 3.59Å
12N92.3Very high89.6Confident64 Ų6480 Ų8034%0.34246%0.458SS..  trans-120.9132.1172-77.8-64.1000110.5N16 Y18 S19N12-N16 WeakPolarHBondContact CB-ND2 3.12Å; N12-N16 PolarHBondContact OD1-ND2 2.84Å; N12-Y18 WeakPolarHBondContact OD1-CD2 3.47Å; N12-S19 VanDerWaalsContact CB-OG 3.23Å; N12-S19 WeakPolarHBondContact CB-OG 3.38Å; N12-S19 PolarHBondContact O-OG 2.94Å
13I90.5Very high90.1Very high69 Ų6984.3 Ų84.335%0.35447%0.471SS..  trans-94157-177.353.8171.1000112.2G15 N16 S19 M40 M48I13-G15 PolarHBondContact O-N 2.99Å; I13-N16 HydrophobicContact CG1-CB 4.5Å; I13-N16 PolarHBondContact N-ND2 2.67Å; I13-N16 VanDerWaalsContact O-CG 3.23Å; I13-N16 PolarHBondContact O-N 2.92Å; I13-S19 WeakPolarHBondContact O-CB 3.04Å; I13-M40 HydrophobicContact CB-SD 4.31Å; I13-M40 HydrophobicContact CD1-CE 3.99Å; I13-M40 HydrophobicContact CD1-SD 3.69Å; I13-M48 HydrophobicContact CG2-CE 4.39Å
14R94.1Very high91Very high69 Ų6984 Ų8426%0.2646%0.461SS..THydrogen-bonded Turntrans-50.5138.2-179.568.8-178.661.1-163.3-3.4112.7N16 F35 M40 D44R14-N16 PolarHBondContact O-N 3.3Å; R14-F35 VanDerWaalsContact CD-CG 3.45Å; R14-F35 HydrophobicContact CG-CD1 4.27Å; R14-F35 HydrophobicContact CG-CD2 3.75Å; R14-F35 HydrophobicContact CG-CE1 4.27Å; R14-F35 HydrophobicContact CG-CE2 3.77Å; R14-F35 HydrophobicContact CG-CG 4.03Å; R14-F35 HydrophobicContact CG-CZ 4.03Å; R14-M40 HydrophobicContact CG-CE 3.92Å; R14-M40 HydrophobicContact CG-CG 4.06Å; R14-D44 WeakPolarHBondContact CB-OD2 3.34Å; R14-D44 VanDerWaalsContact CG-OD2 3.25Å; R14-D44 WeakPolarHBondContact CG-OD2 3.33Å; R14-D44 IonicContact CZ-OD1 3.04Å; R14-D44 PolarHBondContact N-OD2 3.3Å; R14-D44 IonicContact NE-OD1 2.63Å; R14-D44 PolarHBondContact NE-OD1 3.26Å; R14-D44 IonicContact NE-OD2 3.11Å; R14-D44 PolarHBondContact NE-OD2 3.3Å; R14-D44 IonicContact NH2-OD1 3.44Å; R14-D44 PolarHBondContact NH2-OD1 3.02Å
15G91.4Very high91.7Very high0 Ų084.9 Ų84.90%045%0.452CS..THydrogen-bonded Turntrans80.9-10.6175.500000115.4I13 S19 K20 W33I13-G15 PolarHBondContact O-N 2.99Å; G15-S19 PolarHBondContact N-O 2.91Å; G15-K20 WeakPolarHBondContact O-CE 3.11Å; G15-W33 WeakPolarHBondContact O-CH2 3.29Å
16N90.7Very high92Very high16 Ų1684.7 Ų84.79%0.08644%0.44CS..SBendtrans-71.4164.5171.188.610.5000110.8N12 I13 R14 Y18 S19 K20 A152N12-N16 WeakPolarHBondContact CB-ND2 3.12Å; N12-N16 PolarHBondContact OD1-ND2 2.84Å; I13-N16 HydrophobicContact CG1-CB 4.5Å; I13-N16 PolarHBondContact N-ND2 2.67Å; I13-N16 VanDerWaalsContact O-CG 3.23Å; I13-N16 PolarHBondContact O-N 2.92Å; R14-N16 PolarHBondContact O-N 3.3Å; N16-Y18 PolarHBondContact O-N 2.93Å; N16-Y18 WeakPolarHBondContact OD1-CA 3.38Å; N16-Y18 PolarHBondContact OD1-N 3.36Å; N16-S19 CarbonylContact O-C 3.5Å; N16-S19 PolarHBondContact O-N 3.44Å; N16-S19 PolarHBondContact OD1-N 3.35Å; N16-K20 WeakPolarHBondContact O-CG 3.5Å; N16-A152 CarbonylContact C-O 3.57Å; N16-A152 VanDerWaalsContact CA-O 3.22Å; N16-A152 WeakPolarHBondContact CA-O 3.37Å; N16-A152 HydrophobicContact CB-CB 4.29Å
17I88.2Confident92Very high41 Ų4180.4 Ų80.421%0.2143%0.431CS..THydrogen-bonded Turntrans-58.6-16.7-176.461.9175.8000116N103 A152I17-N103 HydrophobicContact CD1-CB 4.26Å; I17-N103 HydrophobicContact CG2-CB 3.68Å; I17-A152 HydrophobicContact CG1-CB 4.42Å; I17-A152 WeakPolarHBondContact CG2-O 3.33Å; I17-A152 PolarHBondContact N-O 2.8Å
18Y90.3Very high91.8Very high126 Ų12686.1 Ų86.149%0.49444%0.444SS..THydrogen-bonded Turntrans-100-14.4179.3-54.5-71.5000112.9N12 N16 H149N12-Y18 WeakPolarHBondContact OD1-CD2 3.47Å; N16-Y18 PolarHBondContact O-N 2.93Å; N16-Y18 WeakPolarHBondContact OD1-CA 3.38Å; N16-Y18 PolarHBondContact OD1-N 3.36Å; Y18-H149 PolarHBondContact OH-ND1 2.97Å
19S92.4Very high91.6Very high37 Ų3784.3 Ų84.326%0.25943%0.434SS..  trans-131.364.5-176.7-65.10000110.7N12 I13 G15 N16 Y32N12-S19 VanDerWaalsContact CB-OG 3.23Å; N12-S19 WeakPolarHBondContact CB-OG 3.38Å; N12-S19 PolarHBondContact O-OG 2.94Å; I13-S19 WeakPolarHBondContact O-CB 3.04Å; G15-S19 PolarHBondContact N-O 2.91Å; N16-S19 CarbonylContact O-C 3.5Å; N16-S19 PolarHBondContact O-N 3.44Å; N16-S19 PolarHBondContact OD1-N 3.35Å; S19-Y32 PolarHBondContact O-OH 3.48Å
20K89.6Confident91.5Very high76 Ų7684.6 Ų84.633%0.3344%0.438SS..  trans-102.431.4176.4-64.7-159.5178.6176.60115.7G15 N16 Y32 E99G15-K20 WeakPolarHBondContact O-CE 3.11Å; N16-K20 WeakPolarHBondContact O-CG 3.5Å; K20-Y32 WeakPolarHBondContact CA-OH 3.35Å; K20-E99 WeakPolarHBondContact CE-OE1 3.31Å; K20-E99 IonicContact NZ-OE1 2.66Å; K20-E99 PolarHBondContact NZ-OE1 3.38Å; K20-E99 IonicContact NZ-OE2 2.76Å; K20-E99 PolarHBondContact NZ-OE2 3.46Å
21G90.4Very high91.4Very high67 Ų6782.2 Ų82.269%0.69142%0.423SS*.  trans-105.8141.8179.200000112
22H93.7Very high91.5Very high91 Ų9180 Ų8042%0.42140%0.397SS..  trans-147142.1167.6-170.8-84.1000109F24 F25 Y32H22-F24 VanDerWaalsContact C-N 3.33Å; H22-F24 AromaticContact CE1-CD2 3.97Å; H22-F24 PolarHBondContact ND1-N 2.87Å; H22-F24 PolarHBondContact O-N 3.12Å; H22-F25 WeakPolarHBondContact CB-O 3.35Å; H22-F25 AromaticContact CE1-CD2 3.12Å; H22-F25 WeakPolarHBondContact CE1-CD2 3.27Å; H22-F25 AromaticContact CE1-CE2 3.67Å; H22-F25 AromaticContact CE1-CG 3.89Å; H22-F25 AromaticContact ND1-CD2 3.47Å; H22-F25 WeakPolarHBondContact ND1-CD2 3.44Å; H22-F25 AromaticContact ND1-CG 3.79Å; H22-F25 PolarHBondContact ND1-N 3.25Å; H22-F25 VanDerWaalsContact ND1-N 3.1Å; H22-F25 AromaticContact NE2-CD2 3.74Å; H22-Y32 HydrophobicContact CB-CD2 3.61Å; H22-Y32 HydrophobicContact CB-CE2 3.67Å
23L94Very high91.6Very high160 Ų16077.3 Ų77.384%0.83838%0.382SS*.SBendtrans-63-39.3-175.7-69.2173000112.6
24F95.4Very high91.6Very high166 Ų16676.3 Ų76.373%0.72838%0.381SS*.SBendtrans-114.1-16.6-169.6-52.4-66.1000115.4H22H22-F24 VanDerWaalsContact C-N 3.33Å; H22-F24 AromaticContact CE1-CD2 3.97Å; H22-F24 PolarHBondContact ND1-N 2.87Å; H22-F24 PolarHBondContact O-N 3.12Å
25F93.4Very high91.6Very high90 Ų9073.3 Ų73.340%0.39537%0.37SS..  trans-127.1135.6-167.5-60.2-49.1000109.7H22 E31H22-F25 WeakPolarHBondContact CB-O 3.35Å; H22-F25 AromaticContact CE1-CD2 3.12Å; H22-F25 WeakPolarHBondContact CE1-CD2 3.27Å; H22-F25 AromaticContact CE1-CE2 3.67Å; H22-F25 AromaticContact CE1-CG 3.89Å; H22-F25 AromaticContact ND1-CD2 3.47Å; H22-F25 WeakPolarHBondContact ND1-CD2 3.44Å; H22-F25 AromaticContact ND1-CG 3.79Å; H22-F25 PolarHBondContact ND1-N 3.25Å; H22-F25 VanDerWaalsContact ND1-N 3.1Å; H22-F25 AromaticContact NE2-CD2 3.74Å; F25-E31 HydrophobicContact CB-CB 4.41Å; F25-E31 HydrophobicContact CD1-CB 3.68Å; F25-E31 HydrophobicContact CD1-CG 4.17Å; F25-E31 HydrophobicContact CD2-CB 3.8Å; F25-E31 HydrophobicContact CE1-CB 3.81Å; F25-E31 HydrophobicContact CE1-CG 3.99Å; F25-E31 HydrophobicContact CE2-CB 3.94Å; F25-E31 HydrophobicContact CG-CB 3.7Å; F25-E31 HydrophobicContact CZ-CB 3.95Å; F25-E31 HydrophobicContact CZ-CG 4.32Å
26S92.4Very high91.7Very high67 Ų6773.3 Ų73.347%0.46937%0.37SS..  trans-74.7146.5174.8-179.80000110R28 S29 Y32S26-R28 PolarHBondContact O-N 3.17Å; S26-R28 PolarHBondContact OG-N 3.03Å; S26-S29 WeakPolarHBondContact O-CB 3.3Å; S26-S29 PolarHBondContact O-N 3.34Å; S26-S29 PolarHBondContact O-OG 3.29Å; S26-Y32 WeakPolarHBondContact O-CB 3.24Å
27S89.2Confident91.7Very high51 Ų5175.1 Ų75.136%0.35738%0.377SS..THydrogen-bonded Turntrans-61.9-5.517174.70000114.2W33S27-W33 PolarHBondContact O-NE1 3.28Å
28R87.1Confident91.9Very high229 Ų22973.3 Ų73.386%0.86437%0.368SS*.THydrogen-bonded Turntrans-92.4-9.7171.8-61.4-176.5-179.6178.60.5113.4S26S26-R28 PolarHBondContact O-N 3.17Å; S26-R28 PolarHBondContact OG-N 3.03Å
29S91.2Very high92Very high26 Ų2668.9 Ų68.918%0.18235%0.351CS..SBendtrans-91154.7-176.7100.10000110.9S26 E31 Y32S26-S29 WeakPolarHBondContact O-CB 3.3Å; S26-S29 PolarHBondContact O-N 3.34Å; S26-S29 PolarHBondContact O-OG 3.29Å; S29-E31 VanDerWaalsContact C-N 3.33Å; S29-E31 WeakPolarHBondContact CB-OE2 3.3Å; S29-E31 PolarHBondContact OG-OE2 3.05Å; S29-Y32 PolarHBondContact OG-N 3.44Å
30K90.3Very high92Very high119 Ų11968 Ų6852%0.51734%0.344SS..THydrogen-bonded Turntrans-68.6-37.5178.9-71-174.2178.2-178.10111.1Y32 W33 S34 H97K30-Y32 VanDerWaalsContact C-N 3.25Å; K30-Y32 PolarHBondContact O-N 2.66Å; K30-W33 CarbonylContact O-C 3.44Å; K30-W33 PolarHBondContact O-N 2.76Å; K30-S34 PolarHBondContact O-N 3.36Å; K30-S34 VanDerWaalsContact O-N 3.15Å; K30-S34 PolarHBondContact O-OG 2.93Å; K30-H97 HydrophobicContact CB-CB 3.66Å; K30-H97 HydrophobicContact CD-CB 4.22Å; K30-H97 HydrophobicContact CG-CB 3.86Å
31E91.8Very high92.2Very high104 Ų10466.9 Ų66.949%0.48635%0.349SS..G310 helixtrans-57.7-39.9179.8-56.372.5-15600111F25 S29 W33 S34F25-E31 HydrophobicContact CB-CB 4.41Å; F25-E31 HydrophobicContact CD1-CB 3.68Å; F25-E31 HydrophobicContact CD1-CG 4.17Å; F25-E31 HydrophobicContact CD2-CB 3.8Å; F25-E31 HydrophobicContact CE1-CB 3.81Å; F25-E31 HydrophobicContact CE1-CG 3.99Å; F25-E31 HydrophobicContact CE2-CB 3.94Å; F25-E31 HydrophobicContact CG-CB 3.7Å; F25-E31 HydrophobicContact CZ-CB 3.95Å; F25-E31 HydrophobicContact CZ-CG 4.32Å; S29-E31 VanDerWaalsContact C-N 3.33Å; S29-E31 WeakPolarHBondContact CB-OE2 3.3Å; S29-E31 PolarHBondContact OG-OE2 3.05Å; E31-W33 VanDerWaalsContact C-N 3.3Å; E31-W33 PolarHBondContact O-N 3.15Å; E31-S34 WeakPolarHBondContact O-CB 3.28Å; E31-S34 PolarHBondContact O-N 3.32Å
32Y93.6Very high92.3Very high13 Ų1368.3 Ų68.35%0.05134%0.337CS..G310 helixtrans-59.8-38.6175.6-180-81.7000112.8S19 K20 H22 S26 S29 K30 F35S19-Y32 PolarHBondContact O-OH 3.48Å; K20-Y32 WeakPolarHBondContact CA-OH 3.35Å; H22-Y32 HydrophobicContact CB-CD2 3.61Å; H22-Y32 HydrophobicContact CB-CE2 3.67Å; S26-Y32 WeakPolarHBondContact O-CB 3.24Å; S29-Y32 PolarHBondContact OG-N 3.44Å; K30-Y32 VanDerWaalsContact C-N 3.25Å; K30-Y32 PolarHBondContact O-N 2.66Å; Y32-F35 WeakPolarHBondContact O-CD1 3.23Å; Y32-F35 VanDerWaalsContact O-CE1 3.31Å; Y32-F35 WeakPolarHBondContact O-CE1 3.35Å
33W93.2Very high92.3Very high6 Ų669.9 Ų69.92%0.02334%0.34CS..G310 helixtrans-91.43.9-178.7-64.4105000113.5G15 S27 K30 E31 F35 E99 S155G15-W33 WeakPolarHBondContact O-CH2 3.29Å; S27-W33 PolarHBondContact O-NE1 3.28Å; K30-W33 CarbonylContact O-C 3.44Å; K30-W33 PolarHBondContact O-N 2.76Å; E31-W33 VanDerWaalsContact C-N 3.3Å; E31-W33 PolarHBondContact O-N 3.15Å; W33-F35 AromaticContact CE3-CE1 3.87Å; W33-F35 HydrophobicContact CE3-CE1 3.87Å; W33-F35 AromaticContact CE3-CZ 3.92Å; W33-F35 HydrophobicContact CE3-CZ 3.92Å; W33-F35 HydrophobicContact CZ3-CE1 4.35Å; W33-F35 HydrophobicContact CZ3-CZ 4.1Å; W33-F35 PolarHBondContact O-N 3.15Å; W33-E99 HydrophobicContact CD2-CB 4.13Å; W33-E99 HydrophobicContact CE3-CB 4.21Å; W33-E99 HydrophobicContact CH2-CB 3.56Å; W33-E99 VanDerWaalsContact CH2-CD 3.48Å; W33-E99 HydrophobicContact CH2-CG 3.36Å; W33-E99 HydrophobicContact CZ2-CB 3.45Å; W33-E99 VanDerWaalsContact CZ2-CB 3.45Å; W33-E99 HydrophobicContact CZ2-CG 3.78Å; W33-E99 HydrophobicContact CZ3-CB 3.93Å; W33-E99 HydrophobicContact CZ3-CG 3.78Å; W33-S155 VanDerWaalsContact O-CB 3.27Å; W33-S155 WeakPolarHBondContact O-CB 3.29Å; W33-S155 PolarHBondContact O-OG 3.36Å
34S91.9Very high92.4Very high48 Ų4863.3 Ų63.334%0.33631%0.306SS..  trans-82.458.5178.9-66.90000112.5K30 E31 H97K30-S34 PolarHBondContact O-N 3.36Å; K30-S34 VanDerWaalsContact O-N 3.15Å; K30-S34 PolarHBondContact O-OG 2.93Å; E31-S34 WeakPolarHBondContact O-CB 3.28Å; E31-S34 PolarHBondContact O-N 3.32Å; S34-H97 PolarHBondContact OG-CE1 3.23Å; S34-H97 PolarHBondContact OG-ND1 3.47Å
35F93Very high92.3Very high7 Ų758 Ų583%0.03129%0.285CS..  trans-137.3151.9175.463.8-97.3000112.2R14 Y32 W33 Q39 M40 S155 L157R14-F35 VanDerWaalsContact CD-CG 3.45Å; R14-F35 HydrophobicContact CG-CD1 4.27Å; R14-F35 HydrophobicContact CG-CD2 3.75Å; R14-F35 HydrophobicContact CG-CE1 4.27Å; R14-F35 HydrophobicContact CG-CE2 3.77Å; R14-F35 HydrophobicContact CG-CG 4.03Å; R14-F35 HydrophobicContact CG-CZ 4.03Å; Y32-F35 WeakPolarHBondContact O-CD1 3.23Å; Y32-F35 VanDerWaalsContact O-CE1 3.31Å; Y32-F35 WeakPolarHBondContact O-CE1 3.35Å; W33-F35 AromaticContact CE3-CE1 3.87Å; W33-F35 HydrophobicContact CE3-CE1 3.87Å; W33-F35 AromaticContact CE3-CZ 3.92Å; W33-F35 HydrophobicContact CE3-CZ 3.92Å; W33-F35 HydrophobicContact CZ3-CE1 4.35Å; W33-F35 HydrophobicContact CZ3-CZ 4.1Å; W33-F35 PolarHBondContact O-N 3.15Å; F35-Q39 HydrophobicContact CB-CB 4.44Å; F35-M40 HydrophobicContact CD2-CE 3.68Å; F35-M40 HydrophobicContact CE2-CE 3.35Å; F35-M40 HydrophobicContact CZ-CE 4.47Å; F35-S155 VanDerWaalsContact O-CB 3.25Å; F35-S155 WeakPolarHBondContact O-CB 3.41Å; F35-S155 PolarHBondContact O-OG 3.37Å; F35-L157 WeakPolarHBondContact O-CB 3.37Å
36T93.1Very high92.4Very high0 Ų056 Ų560%028%0.281CS..  trans-115-176.3168.173.50000109.8D38 Q39 L157 N158 H161 F174T36-D38 PolarHBondContact O-N 2.84Å; T36-D38 WeakPolarHBondContact OG1-CB 3.5Å; T36-D38 PolarHBondContact OG1-N 3.5Å; T36-D38 VanDerWaalsContact OG1-N 3.17Å; T36-D38 PolarHBondContact OG1-OD2 2.99Å; T36-D38 VanDerWaalsContact OG1-OD2 3.14Å; T36-Q39 PolarHBondContact O-N 2.97Å; T36-Q39 PolarHBondContact O-OE1 2.84Å; T36-Q39 PolarHBondContact OG1-OE1 3.03Å; T36-Q39 VanDerWaalsContact OG1-OE1 3.08Å; T36-L157 HydrophobicContact CG2-CB 3.82Å; T36-L157 HydrophobicContact CG2-CD1 4.49Å; T36-N158 WeakPolarHBondContact CA-OD1 3.31Å; T36-H161 WeakPolarHBondContact CB-ND1 3.22Å; T36-F174 HydrophobicContact CG2-CB 3.65Å; T36-F174 HydrophobicContact CG2-CD1 4Å; T36-F174 HydrophobicContact CG2-CD2 3.67Å; T36-F174 HydrophobicContact CG2-CE2 4.22Å; T36-F174 HydrophobicContact CG2-CG 3.5Å
37F91.6Very high92.6Very high53 Ų5355.6 Ų55.623%0.23228%0.282CS..Hα-helixtrans-72.1-10.4175.661.5-108.3000111.8M40 A41 N158 H161 L165F37-M40 HydrophobicContact CB-SD 4.12Å; F37-M40 WeakPolarHBondContact O-CB 3.21Å; F37-M40 PolarHBondContact O-N 2.99Å; F37-A41 PolarHBondContact O-N 3.3Å; F37-N158 PolarHBondContact N-OD1 2.99Å; F37-H161 HydrophobicContact CD1-CB 4.28Å; F37-H161 AromaticContact CD1-ND1 3.63Å; F37-H161 HydrophobicContact CE1-CB 3.69Å; F37-H161 AromaticContact CE1-CD2 3.74Å; F37-H161 AromaticContact CE1-CE1 3.57Å; F37-H161 AromaticContact CE1-CG 3.24Å; F37-H161 AromaticContact CE1-ND1 3.16Å; F37-H161 WeakPolarHBondContact CE1-ND1 3.45Å; F37-H161 AromaticContact CE1-NE2 3.91Å; F37-H161 AromaticContact CE2-CE1 3.31Å; F37-H161 WeakPolarHBondContact CE2-CE1 3.48Å; F37-H161 AromaticContact CE2-ND1 3.71Å; F37-H161 AromaticContact CE2-NE2 3.83Å; F37-H161 HydrophobicContact CZ-CB 4.36Å; F37-H161 AromaticContact CZ-CD2 3.5Å; F37-H161 AromaticContact CZ-CE1 3.03Å; F37-H161 WeakPolarHBondContact CZ-CE1 3.32Å; F37-H161 AromaticContact CZ-CG 3.44Å; F37-H161 VanDerWaalsContact CZ-CG 3.44Å; F37-H161 AromaticContact CZ-ND1 3.19Å; F37-H161 WeakPolarHBondContact CZ-ND1 3.39Å; F37-H161 AromaticContact CZ-NE2 3.24Å; F37-H161 WeakPolarHBondContact CZ-NE2 3.2Å; F37-L165 HydrophobicContact CE1-CD1 4.05Å; F37-L165 HydrophobicContact CZ-CD1 3.63Å; F37-L165 HydrophobicContact CZ-CD2 4.42Å; F37-L165 HydrophobicContact CZ-CG 4.22Å
38D91.5Very high92.9Very high4 Ų455.8 Ų55.82%0.02128%0.277CS..Hα-helixtrans-61.8-50170.4-64.3-41000110.3T36 M40 A41 E42 H161 K173 F174 Y193T36-D38 PolarHBondContact O-N 2.84Å; T36-D38 WeakPolarHBondContact OG1-CB 3.5Å; T36-D38 PolarHBondContact OG1-N 3.5Å; T36-D38 VanDerWaalsContact OG1-N 3.17Å; T36-D38 PolarHBondContact OG1-OD2 2.99Å; T36-D38 VanDerWaalsContact OG1-OD2 3.14Å; D38-M40 PolarHBondContact O-N 2.88Å; D38-A41 PolarHBondContact O-N 2.66Å; D38-A41 VanDerWaalsContact O-N 3.12Å; D38-E42 VanDerWaalsContact O-CB 3.31Å; D38-E42 WeakPolarHBondContact O-CB 3.38Å; D38-E42 PolarHBondContact O-N 2.67Å; D38-H161 IonicContact OD1-CE1 3.98Å; D38-H161 IonicContact OD2-CE1 2.66Å; D38-H161 PolarHBondContact OD2-CE1 3.11Å; D38-H161 IonicContact OD2-ND1 2.67Å; D38-K173 WeakPolarHBondContact OD1-CA 3.44Å; D38-K173 WeakPolarHBondContact OD2-CA 3.25Å; D38-F174 WeakPolarHBondContact OD2-CB 3.17Å; D38-F174 PolarHBondContact OD2-N 3.02Å; D38-Y193 VanDerWaalsContact OD1-CE2 3.24Å; D38-Y193 WeakPolarHBondContact OD1-CE2 3.27Å; D38-Y193 PolarHBondContact OD1-OH 2.91Å
39Q92.8Very high93.3Very high32 Ų3246.9 Ų46.915%0.1525%0.249CC..Hα-helixtrans-66.7-27176.8-68.989.41.400112.3F35 T36 Y43F35-Q39 HydrophobicContact CB-CB 4.44Å; T36-Q39 PolarHBondContact O-N 2.97Å; T36-Q39 PolarHBondContact O-OE1 2.84Å; T36-Q39 PolarHBondContact OG1-OE1 3.03Å; T36-Q39 VanDerWaalsContact OG1-OE1 3.08Å; Q39-Y43 HydrophobicContact CB-CD2 3.78Å; Q39-Y43 HydrophobicContact CB-CE2 4Å; Q39-Y43 HydrophobicContact CG-CD2 4.11Å; Q39-Y43 HydrophobicContact CG-CE2 3.79Å; Q39-Y43 WeakPolarHBondContact O-CB 3.43Å; Q39-Y43 VanDerWaalsContact O-CD2 3.29Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.4Å; Q39-Y43 PolarHBondContact O-N 3Å
40M93.7Very high93.6Very high20 Ų2052.2 Ų52.210%0.09927%0.271CS..Iπ-helixtrans-68-40.5172.3-61.3173.2178.200111.6I13 R14 F35 F37 D38 D44 L45 N158I13-M40 HydrophobicContact CB-SD 4.31Å; I13-M40 HydrophobicContact CD1-CE 3.99Å; I13-M40 HydrophobicContact CD1-SD 3.69Å; R14-M40 HydrophobicContact CG-CE 3.92Å; R14-M40 HydrophobicContact CG-CG 4.06Å; F35-M40 HydrophobicContact CD2-CE 3.68Å; F35-M40 HydrophobicContact CE2-CE 3.35Å; F35-M40 HydrophobicContact CZ-CE 4.47Å; F37-M40 HydrophobicContact CB-SD 4.12Å; F37-M40 WeakPolarHBondContact O-CB 3.21Å; F37-M40 PolarHBondContact O-N 2.99Å; D38-M40 PolarHBondContact O-N 2.88Å; M40-D44 HydrophobicContact CB-CB 4.48Å; M40-D44 WeakPolarHBondContact O-CB 3.45Å; M40-D44 PolarHBondContact O-N 2.78Å; M40-L45 PolarHBondContact O-N 2.86Å; M40-N158 VanDerWaalsContact CE-ND2 3.27Å; M40-N158 WeakPolarHBondContact CE-ND2 3.43Å
41A91.8Very high93.9Very high52 Ų5253.3 Ų53.343%0.4327%0.273SS..Iπ-helixtrans-72-36.3176.300000112.3F37 D38 P46F37-A41 PolarHBondContact O-N 3.3Å; D38-A41 PolarHBondContact O-N 2.66Å; D38-A41 VanDerWaalsContact O-N 3.12Å; A41-P46 WeakPolarHBondContact O-CD 3.34Å
42E93Very high94.1Very high97 Ų9749.3 Ų49.345%0.45326%0.255SS..Iπ-helixtrans-79.3-36.3-176.6-173.3172.5-158.900113.3D38 P46D38-E42 VanDerWaalsContact O-CB 3.31Å; D38-E42 WeakPolarHBondContact O-CB 3.38Å; D38-E42 PolarHBondContact O-N 2.67Å; E42-P46 WeakPolarHBondContact O-CG 3.25Å
43Y94.8Very high94.3Very high123 Ų12350.5 Ų50.548%0.48226%0.262SS..Iπ-helixtrans-119.7-48.2-173.6-52.4-66.8000113.4Q39 A47Q39-Y43 HydrophobicContact CB-CD2 3.78Å; Q39-Y43 HydrophobicContact CB-CE2 4Å; Q39-Y43 HydrophobicContact CG-CD2 4.11Å; Q39-Y43 HydrophobicContact CG-CE2 3.79Å; Q39-Y43 WeakPolarHBondContact O-CB 3.43Å; Q39-Y43 VanDerWaalsContact O-CD2 3.29Å; Q39-Y43 WeakPolarHBondContact O-CD2 3.4Å; Q39-Y43 PolarHBondContact O-N 3Å; Y43-A47 VanDerWaalsContact O-CB 3.24Å; Y43-A47 WeakPolarHBondContact O-CB 3.39Å; Y43-A47 PolarHBondContact O-N 2.99Å; Y43-A47 VanDerWaalsContact O-N 3.15Å
44D95.2Very high94.5Very high22 Ų2257.6 Ų57.612%0.11830%0.295CS..Iπ-helixtrans-68.6-48.8-171.1-61.96.6000111.3R14 M40 M48R14-D44 WeakPolarHBondContact CB-OD2 3.34Å; R14-D44 VanDerWaalsContact CG-OD2 3.25Å; R14-D44 WeakPolarHBondContact CG-OD2 3.33Å; R14-D44 IonicContact CZ-OD1 3.04Å; R14-D44 PolarHBondContact N-OD2 3.3Å; R14-D44 IonicContact NE-OD1 2.63Å; R14-D44 PolarHBondContact NE-OD1 3.26Å; R14-D44 IonicContact NE-OD2 3.11Å; R14-D44 PolarHBondContact NE-OD2 3.3Å; R14-D44 IonicContact NH2-OD1 3.44Å; R14-D44 PolarHBondContact NH2-OD1 3.02Å; M40-D44 HydrophobicContact CB-CB 4.48Å; M40-D44 WeakPolarHBondContact O-CB 3.45Å; M40-D44 PolarHBondContact O-N 2.78Å; D44-M48 HydrophobicContact CB-CE 4.29Å; D44-M48 WeakPolarHBondContact O-CE 3.48Å; D44-M48 WeakPolarHBondContact O-CG 3.33Å; D44-M48 PolarHBondContact O-N 2.94Å
45L94.1Very high94.7Very high55 Ų5558.9 Ų58.929%0.28830%0.301SS..Hα-helixtrans-64.8-49.5-177.6178.463.6000112.2M40 A47 M48 V49 Y63M40-L45 PolarHBondContact O-N 2.86Å; L45-A47 PolarHBondContact O-N 3.18Å; L45-M48 PolarHBondContact O-N 2.84Å; L45-V49 HydrophobicContact CD1-CG2 4.05Å; L45-V49 HydrophobicContact CG-CG2 4.44Å; L45-V49 WeakPolarHBondContact O-CG2 3.31Å; L45-V49 PolarHBondContact O-N 2.95Å; L45-Y63 HydrophobicContact CD1-CD2 3.89Å; L45-Y63 HydrophobicContact CD1-CE2 3.43Å; L45-Y63 VanDerWaalsContact CD1-CE2 3.43Å; L45-Y63 HydrophobicContact CD2-CE2 4.43Å
46P95.8Very high94.8Very high49 Ų4960 Ų6032%0.31831%0.309SS..Hα-helixtrans-57.4-45.5175-28.738.4000113.2A41 E42 M48 V49 E50A41-P46 WeakPolarHBondContact O-CD 3.34Å; E42-P46 WeakPolarHBondContact O-CG 3.25Å; P46-M48 VanDerWaalsContact C-N 3.32Å; P46-M48 PolarHBondContact O-N 3.45Å; P46-V49 PolarHBondContact O-N 2.98Å; P46-V49 VanDerWaalsContact O-N 3.17Å; P46-E50 WeakPolarHBondContact O-CB 3.41Å; P46-E50 WeakPolarHBondContact O-CG 3.39Å; P46-E50 PolarHBondContact O-N 3.33Å
47A95.7Very high94.9Very high58 Ų5867.2 Ų67.248%0.47935%0.347SS..Hα-helixtrans-60.6-40.1179.200000112.5Y43 L45 Y51Y43-A47 VanDerWaalsContact O-CB 3.24Å; Y43-A47 WeakPolarHBondContact O-CB 3.39Å; Y43-A47 PolarHBondContact O-N 2.99Å; Y43-A47 VanDerWaalsContact O-N 3.15Å; L45-A47 PolarHBondContact O-N 3.18Å; A47-Y51 VanDerWaalsContact O-CB 3.3Å; A47-Y51 WeakPolarHBondContact O-CB 3.25Å; A47-Y51 PolarHBondContact O-N 2.73Å; A47-Y51 VanDerWaalsContact O-N 3.12Å
48M95.6Very high95.1Very high54 Ų5470.5 Ų70.527%0.26636%0.363SS..Hα-helixtrans-66-45.1174.7-73.5-174.4-71.400111.9G11 I13 D44 L45 P46 Y51 V52G11-M48 VanDerWaalsContact CA-SD 3.59Å; I13-M48 HydrophobicContact CG2-CE 4.39Å; D44-M48 HydrophobicContact CB-CE 4.29Å; D44-M48 WeakPolarHBondContact O-CE 3.48Å; D44-M48 WeakPolarHBondContact O-CG 3.33Å; D44-M48 PolarHBondContact O-N 2.94Å; L45-M48 PolarHBondContact O-N 2.84Å; P46-M48 VanDerWaalsContact C-N 3.32Å; P46-M48 PolarHBondContact O-N 3.45Å; M48-Y51 PolarHBondContact O-N 3.41Å; M48-V52 VanDerWaalsContact O-CG2 3.28Å; M48-V52 WeakPolarHBondContact O-CG2 3.36Å; M48-V52 PolarHBondContact O-N 3.15Å
49V96.2Very high95.3Very high43 Ų4375.9 Ų75.926%0.26140%0.401SS..Hα-helixtrans-62.1-50.8180170.70000110.5L45 P46 Y51 V52 L53 L61L45-V49 HydrophobicContact CD1-CG2 4.05Å; L45-V49 HydrophobicContact CG-CG2 4.44Å; L45-V49 WeakPolarHBondContact O-CG2 3.31Å; L45-V49 PolarHBondContact O-N 2.95Å; P46-V49 PolarHBondContact O-N 2.98Å; P46-V49 VanDerWaalsContact O-N 3.17Å; V49-Y51 VanDerWaalsContact C-N 3.32Å; V49-Y51 PolarHBondContact O-N 2.88Å; V49-V52 PolarHBondContact O-N 3.12Å; V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.23Å; V49-L53 WeakPolarHBondContact O-CB 3.48Å; V49-L53 VanDerWaalsContact O-CG 3.27Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 3.25Å; V49-L61 HydrophobicContact CB-CD2 4.27Å; V49-L61 HydrophobicContact CG1-CD2 3.97Å; V49-L61 HydrophobicContact CG1-CG 4.39Å; V49-L61 HydrophobicContact CG2-CD2 4.2Å
50E96.7Very high95.3Very high137 Ų13778.4 Ų78.464%0.6442%0.422SS*.Hα-helixtrans-58.5-43.6179.4-72.2174.9-179.700112P46 L53 H54P46-E50 WeakPolarHBondContact O-CB 3.41Å; P46-E50 WeakPolarHBondContact O-CG 3.39Å; P46-E50 PolarHBondContact O-N 3.33Å; E50-L53 PolarHBondContact O-N 3.05Å; E50-H54 VanDerWaalsContact O-CB 3.26Å; E50-H54 WeakPolarHBondContact O-CB 3.45Å; E50-H54 PolarHBondContact O-N 3.3Å
51Y96.5Very high95.4Very high143 Ų14380.4 Ų80.456%0.56143%0.433SS*.Hα-helixtrans-62-47.1177.1-176.4-91000112.2W9 A47 M48 V49 H54 V55W9-Y51 HydrophobicContact CH2-CE1 4.14Å; W9-Y51 HydrophobicContact CZ3-CD1 4.29Å; W9-Y51 AromaticContact CZ3-CE1 3.92Å; W9-Y51 HydrophobicContact CZ3-CE1 3.92Å; A47-Y51 VanDerWaalsContact O-CB 3.3Å; A47-Y51 WeakPolarHBondContact O-CB 3.25Å; A47-Y51 PolarHBondContact O-N 2.73Å; A47-Y51 VanDerWaalsContact O-N 3.12Å; M48-Y51 PolarHBondContact O-N 3.41Å; V49-Y51 VanDerWaalsContact C-N 3.32Å; V49-Y51 PolarHBondContact O-N 2.88Å; Y51-H54 PolarHBondContact O-N 3.25Å; Y51-V55 HydrophobicContact CD1-CG2 4.15Å; Y51-V55 HydrophobicContact CE1-CG2 3.73Å; Y51-V55 HydrophobicContact CE2-CG2 4.22Å; Y51-V55 WeakPolarHBondContact O-CG2 3.45Å; Y51-V55 PolarHBondContact O-N 3.49Å
52V96.9Very high95.3Very high20 Ų2084.1 Ų84.112%0.12145%0.445CS..Hα-helixtrans-62.8-46.2179.3172.20000110.7W9 M48 V49 H54 V55 T56 L61W9-V52 HydrophobicContact CB-CG2 4.15Å; W9-V52 HydrophobicContact CD2-CG1 4.26Å; W9-V52 HydrophobicContact CD2-CG2 3.72Å; W9-V52 HydrophobicContact CE3-CG2 3.78Å; W9-V52 HydrophobicContact CG-CG1 4.06Å; W9-V52 HydrophobicContact CG-CG2 3.88Å; W9-V52 HydrophobicContact CZ3-CG2 4.43Å; M48-V52 VanDerWaalsContact O-CG2 3.28Å; M48-V52 WeakPolarHBondContact O-CG2 3.36Å; M48-V52 PolarHBondContact O-N 3.15Å; V49-V52 PolarHBondContact O-N 3.12Å; V52-H54 VanDerWaalsContact C-N 3.32Å; V52-H54 PolarHBondContact O-N 2.99Å; V52-V55 PolarHBondContact O-N 3.41Å; V52-T56 HydrophobicContact CG1-CG2 4.2Å; V52-T56 WeakPolarHBondContact O-CB 3.19Å; V52-T56 VanDerWaalsContact O-CG2 3.31Å; V52-T56 WeakPolarHBondContact O-CG2 3.36Å; V52-T56 PolarHBondContact O-N 2.75Å; V52-T56 PolarHBondContact O-OG1 2.89Å; V52-L61 HydrophobicContact CB-CD2 4.02Å; V52-L61 HydrophobicContact CG1-CD2 3.89Å
53L97.2Very high95.2Very high37 Ų3787.2 Ų87.219%0.19445%0.454CS..Hα-helixtrans-62.6-39.9178.4-66.1-177.1000111.9V49 E50 N57 H58 L61V49-L53 HydrophobicContact CG1-CD1 3.83Å; V49-L53 HydrophobicContact CG1-CG 4.23Å; V49-L53 WeakPolarHBondContact O-CB 3.48Å; V49-L53 VanDerWaalsContact O-CG 3.27Å; V49-L53 WeakPolarHBondContact O-CG 3.36Å; V49-L53 PolarHBondContact O-N 3.25Å; E50-L53 PolarHBondContact O-N 3.05Å; L53-N57 WeakPolarHBondContact O-CA 3.27Å; L53-N57 PolarHBondContact O-N 3.3Å; L53-H58 WeakPolarHBondContact CB-O 3.15Å; L53-H58 HydrophobicContact CD2-CB 4.2Å; L53-H58 WeakPolarHBondContact CD2-O 3.25Å; L53-H58 PolarHBondContact O-N 3.3Å; L53-L61 HydrophobicContact CD2-CB 4.09Å; L53-L61 HydrophobicContact CD2-CD2 4.15Å; L53-L61 HydrophobicContact CD2-CG 4.32Å; L53-L61 HydrophobicContact CG-CD2 4.33Å
54H97.1Very high94.9Very high156 Ų15685.2 Ų85.272%0.72245%0.454SS*.Hα-helixtrans-63-48.3175.8179.167.2000112.4E50 Y51 V52E50-H54 VanDerWaalsContact O-CB 3.26Å; E50-H54 WeakPolarHBondContact O-CB 3.45Å; E50-H54 PolarHBondContact O-N 3.3Å; Y51-H54 PolarHBondContact O-N 3.25Å; V52-H54 VanDerWaalsContact C-N 3.32Å; V52-H54 PolarHBondContact O-N 2.99Å
55V97.2Very high94.3Very high74 Ų7486.4 Ų86.445%0.44847%0.471SS..Hα-helixtrans-70.1-39.4-177.1171.40000112.1W9 Y51 V52W9-V55 HydrophobicContact CH2-CB 4.42Å; W9-V55 HydrophobicContact CH2-CG1 4Å; W9-V55 HydrophobicContact CZ2-CG1 4Å; Y51-V55 HydrophobicContact CD1-CG2 4.15Å; Y51-V55 HydrophobicContact CE1-CG2 3.73Å; Y51-V55 HydrophobicContact CE2-CG2 4.22Å; Y51-V55 WeakPolarHBondContact O-CG2 3.45Å; Y51-V55 PolarHBondContact O-N 3.49Å; V52-V55 PolarHBondContact O-N 3.41Å
56T95.1Very high93.5Very high32 Ų3291.7 Ų91.720%0.19649%0.494CS..Hα-helixtrans-86-9.6-17761.30000113.4D7 W9 V52 H58D7-T56 VanDerWaalsContact OD2-CG2 3.3Å; D7-T56 WeakPolarHBondContact OD2-CG2 3.48Å; W9-T56 HydrophobicContact CZ2-CG2 4.19Å; V52-T56 HydrophobicContact CG1-CG2 4.2Å; V52-T56 WeakPolarHBondContact O-CB 3.19Å; V52-T56 VanDerWaalsContact O-CG2 3.31Å; V52-T56 WeakPolarHBondContact O-CG2 3.36Å; V52-T56 PolarHBondContact O-N 2.75Å; V52-T56 PolarHBondContact O-OG1 2.89Å; T56-H58 PolarHBondContact O-N 3.08Å
57N95.4Very high92.2Very high150 Ų15092.4 Ų92.480%0.80250%0.501SS*.THydrogen-bonded Turntrans55.334.2-173.7-164.641.7000112.8L53L53-N57 WeakPolarHBondContact O-CA 3.27Å; L53-N57 PolarHBondContact O-N 3.3Å
58H95.3Very high91.2Very high122 Ų12291.1 Ų91.157%0.56549%0.485SS*.  trans-99.8152.1172.7-76.2-58000111L53 T56L53-H58 WeakPolarHBondContact CB-O 3.15Å; L53-H58 HydrophobicContact CD2-CB 4.2Å; L53-H58 WeakPolarHBondContact CD2-O 3.25Å; L53-H58 PolarHBondContact O-N 3.3Å; T56-H58 PolarHBondContact O-N 3.08Å
59S95Very high90.4Very high117 Ų11791 Ų9182%0.81849%0.487SS*.SBendtrans-86.8-17.1177.256.60000113.7
60S93.9Very high89.9Confident85 Ų8589.7 Ų89.759%0.59448%0.48SS*.  trans-155.8158.2-17755.20000110.3
61L94.1Very high89.5Confident63 Ų6383.9 Ų83.933%0.3345%0.453SS..  trans-134.1156.5174.364.982000110.4V49 V52 L53V49-L61 HydrophobicContact CB-CD2 4.27Å; V49-L61 HydrophobicContact CG1-CD2 3.97Å; V49-L61 HydrophobicContact CG1-CG 4.39Å; V49-L61 HydrophobicContact CG2-CD2 4.2Å; V52-L61 HydrophobicContact CB-CD2 4.02Å; V52-L61 HydrophobicContact CG1-CD2 3.89Å; L53-L61 HydrophobicContact CD2-CB 4.09Å; L53-L61 HydrophobicContact CD2-CD2 4.15Å; L53-L61 HydrophobicContact CD2-CG 4.32Å; L53-L61 HydrophobicContact CG-CD2 4.33Å
62D91.3Very high89.2Confident129 Ų12977.1 Ų77.169%0.6943%0.426SS*.  trans-83.7119.4170.5-70.7-39.3000109.9
63Y91.1Very high88.8Confident163 Ų16376.7 Ų76.764%0.63943%0.426SS*.  trans-91.4116.2176.1-178.2-99.3000110.9L45L45-Y63 HydrophobicContact CD1-CD2 3.89Å; L45-Y63 HydrophobicContact CD1-CE2 3.43Å; L45-Y63 VanDerWaalsContact CD1-CE2 3.43Å; L45-Y63 HydrophobicContact CD2-CE2 4.43Å
64V87.5Confident88.5Confident81 Ų8176.8 Ų76.849%0.49143%0.426SS..  trans-106.8107.9-180-1770000110.4M1M1-V64 HydrophobicContact CE-CG1 4.35Å; M1-V64 HydrophobicContact CE-CG2 4.03Å
65G82.5Confident88.1Confident46 Ų4669.4 Ų69.447%0.47439%0.391SS..  trans-106.3131.9170.600000112
66H77.1Confident87.5Confident166 Ų16672.4 Ų72.477%0.76940%0.395SS*.SBendtrans-98138.6172.1-72.4-67.9000111.3
67S69.1Low86.9Confident65 Ų6571.3 Ų71.346%0.45539%0.388SS..SBendtrans61105.2-175.7-66.80000113.5V69 D210S67-V69 WeakPolarHBondContact O-CG2 3.46Å; S67-V69 PolarHBondContact O-N 3.31Å; S67-D210 PolarHBondContact OG-OD2 3.38Å; S67-D210 VanDerWaalsContact OG-OD2 3.11Å
68Q74Confident86.2Confident31 Ų3168 Ų6815%0.14537%0.369CS..  trans-78.6109-177-64.5154.14400110.8L204 Y205 S213 L221Q68-L204 HydrophobicContact CG-CD2 4.29Å; Q68-L204 VanDerWaalsContact NE2-C 3.31Å; Q68-L204 VanDerWaalsContact NE2-CA 3.31Å; Q68-L204 VanDerWaalsContact NE2-CB 3.35Å; Q68-Y205 VanDerWaalsContact NE2-C 3.29Å; Q68-Y205 PolarHBondContact NE2-O 3.16Å; Q68-S213 WeakPolarHBondContact O-CB 3.44Å; Q68-S213 PolarHBondContact O-OG 3.3Å; Q68-L221 HydrophobicContact CB-CD2 4.26Å; Q68-L221 HydrophobicContact CG-CD2 4.44Å
69V79.2Confident85.5Confident50 Ų5064 Ų6430%0.30335%0.352SS..  trans-112.859.5-178-168.70000109.8S67 V72 F162 L212S67-V69 WeakPolarHBondContact O-CG2 3.46Å; S67-V69 PolarHBondContact O-N 3.31Å; V69-V72 HydrophobicContact CG1-CG1 3.31Å; V69-F162 HydrophobicContact CG1-CE1 3.57Å; V69-F162 HydrophobicContact CG1-CZ 4Å; V69-L212 HydrophobicContact CG1-CD2 4.43Å; V69-L212 HydrophobicContact CG1-CG 4.31Å; V69-L212 HydrophobicContact CG2-CD2 3.89Å; V69-L212 HydrophobicContact CG2-CG 4.07Å
70A85.2Confident84.9Confident16 Ų1663.7 Ų63.713%0.13233%0.333CS..SBendtrans-89.1-40.4176.400000112.1M171 L221A70-M171 HydrophobicContact CB-SD 4.34Å; A70-L221 HydrophobicContact CB-CD1 4.01Å; A70-L221 HydrophobicContact CB-CD2 4.22Å
71Y89.6Confident84.2Confident15 Ų1569 Ų696%0.05934%0.339CS..  trans-123.8137173.5-58.7-72.5000108.8M171 D217 R220 L221 I224Y71-M171 HydrophobicContact CE1-CB 4Å; Y71-D217 VanDerWaalsContact O-CB 3.28Å; Y71-D217 WeakPolarHBondContact O-CB 3.38Å; Y71-R220 HydrophobicContact CD2-CB 4.19Å; Y71-R220 HydrophobicContact CD2-CG 4.04Å; Y71-R220 HydrophobicContact CE2-CB 4.35Å; Y71-R220 HydrophobicContact CE2-CG 3.78Å; Y71-L221 HydrophobicContact CE2-CD1 4.39Å; Y71-I224 HydrophobicContact CE2-CD1 3.71Å; Y71-I224 WeakPolarHBondContact OH-CD1 3.5Å
72V89.6Confident83.6Confident1 Ų169 Ų691%0.00634%0.34CS..  trans-135.911.9-176.3-68.20000113.2V69 H74 T75 F162 L165 I166 L212 D217V69-V72 HydrophobicContact CG1-CG1 3.31Å; V72-H74 PolarHBondContact O-N 2.92Å; V72-H74 VanDerWaalsContact O-N 3.12Å; V72-T75 WeakPolarHBondContact O-CB 3.22Å; V72-T75 VanDerWaalsContact O-CG2 3.26Å; V72-T75 WeakPolarHBondContact O-CG2 3.46Å; V72-T75 PolarHBondContact O-N 2.99Å; V72-T75 VanDerWaalsContact O-N 3.15Å; V72-F162 HydrophobicContact CG1-CE1 4.46Å; V72-L165 HydrophobicContact CG2-CB 3.48Å; V72-L165 VanDerWaalsContact CG2-CB 3.48Å; V72-L165 HydrophobicContact CG2-CD1 4.34Å; V72-I166 HydrophobicContact CB-CG1 4.21Å; V72-I166 HydrophobicContact CG2-CG1 3.76Å; V72-L212 HydrophobicContact CG1-CD1 4.3Å; V72-D217 WeakPolarHBondContact CA-OD2 3.34Å
73G88.4Confident83Confident11 Ų1169.2 Ų69.211%0.11333%0.331CS..THydrogen-bonded Turntrans-62.2-21.8-178.800000113.4N169 D217G73-N169 VanDerWaalsContact CA-OD1 3.29Å; G73-N169 WeakPolarHBondContact CA-OD1 3.29Å; G73-N169 PolarHBondContact N-OD1 2.83Å; G73-N169 VanDerWaalsContact N-OD1 3.16Å; G73-D217 PolarHBondContact N-OD2 3.21Å
74H90.7Very high82.3Confident40 Ų4066.5 Ų66.519%0.18533%0.334CS..THydrogen-bonded Turntrans-109.810.2179.8-55.1100.9000113.7V72 R80 V214 R216 D217V72-H74 PolarHBondContact O-N 2.92Å; V72-H74 VanDerWaalsContact O-N 3.12Å; H74-R80 PolarHBondContact O-NH1 3.44Å; H74-V214 HydrophobicContact CB-CG2 3.64Å; H74-V214 WeakPolarHBondContact O-CG2 3.28Å; H74-R216 HydrophobicContact CB-CB 4.49Å; H74-R216 VanDerWaalsContact CD2-CZ 3.47Å; H74-R216 PolarHBondContact CD2-NH1 3.27Å; H74-R216 PolarHBondContact CE1-NE 3.1Å; H74-R216 PolarHBondContact NE2-NE 3.42Å; H74-R216 PolarHBondContact NE2-NH1 3.27Å; H74-R216 VanDerWaalsContact NE2-NH1 3.18Å; H74-R216 PolarHBondContact NE2-NH2 3.25Å; H74-D217 IonicContact CE1-OD1 2.73Å; H74-D217 IonicContact CG-OD1 3.54Å; H74-D217 PolarHBondContact N-OD2 3.11Å; H74-D217 IonicContact ND1-OD1 3.39Å; H74-D217 PolarHBondContact ND1-OD1 3.39Å; H74-D217 IonicContact ND1-OD2 3.85Å
75T88.4Confident81.9Confident0 Ų068.5 Ų68.50%034%0.336CS..  trans-46.6145.8176.3-173.90000112V72 T77 R80 I166 V211V72-T75 WeakPolarHBondContact O-CB 3.22Å; V72-T75 VanDerWaalsContact O-CG2 3.26Å; V72-T75 WeakPolarHBondContact O-CG2 3.46Å; V72-T75 PolarHBondContact O-N 2.99Å; V72-T75 VanDerWaalsContact O-N 3.15Å; T75-T77 WeakPolarHBondContact OG1-CG2 3.42Å; T75-T77 PolarHBondContact OG1-N 2.88Å; T75-T77 PolarHBondContact OG1-OG1 3.04Å; T75-R80 HydrophobicContact CG2-CB 3.92Å; T75-R80 WeakPolarHBondContact O-CD 3.33Å; T75-R80 PolarHBondContact O-NH1 2.75Å; T75-R80 VanDerWaalsContact O-NH1 3.08Å; T75-I166 HydrophobicContact CG2-CD1 3.98Å; T75-I166 HydrophobicContact CG2-CG1 3.94Å; T75-I166 HydrophobicContact CG2-CG2 4.46Å; T75-V211 CarbonylContact C-O 3.43Å; T75-V211 PolarHBondContact OG1-O 3.23Å
76R84.4Confident81.6Confident138 Ų13866.7 Ų66.752%0.52132%0.315SS..  trans-101.67.6175.3-68.2179.1-78.6-175.7-1.3112.3T208 D210 V211 V214R76-T208 PolarHBondContact NH2-O 2.94Å; R76-D210 PolarHBondContact NH2-O 2.94Å; R76-V211 WeakPolarHBondContact CA-O 3.33Å; R76-V211 HydrophobicContact CB-CB 4.03Å; R76-V211 HydrophobicContact CB-CG1 4.36Å; R76-V211 PolarHBondContact N-O 3.17Å; R76-V214 HydrophobicContact CG-CG1 4.1Å
77T83.5Confident81.4Confident9 Ų970.1 Ų70.16%0.05532%0.321CS..SBendtrans-69165.6178.259.40000113.2T75 L79 R80 V211 L212T75-T77 WeakPolarHBondContact OG1-CG2 3.42Å; T75-T77 PolarHBondContact OG1-N 2.88Å; T75-T77 PolarHBondContact OG1-OG1 3.04Å; T77-L79 PolarHBondContact O-N 2.85Å; T77-R80 PolarHBondContact O-N 3.38Å; T77-V211 HydrophobicContact CG2-CB 4.49Å; T77-V211 HydrophobicContact CG2-CG2 3.92Å; T77-V211 PolarHBondContact N-O 3.42Å; T77-L212 HydrophobicContact CG2-CB 4.05Å; T77-L212 HydrophobicContact CG2-CD1 3.98Å
78I80.5Confident81.9Confident79 Ų7972 Ų7241%0.40533%0.325SS..Hα-helixtrans-57.9-29.6173.8-168.961000112.6R80 R81I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 PolarHBondContact O-N 3.34Å; I78-R81 HydrophobicContact CD1-CB 4.39Å; I78-R81 HydrophobicContact CD1-CG 4.46Å; I78-R81 WeakPolarHBondContact O-CB 3.27Å; I78-R81 PolarHBondContact O-N 3.04Å
79L80.1Confident81.9Confident38 Ų3872 Ų7220%0.19933%0.327CS..Hα-helixtrans-57.3-39.7178.3-65.1178.5000111.3T77 R81 L82 F86 F162 I166T77-L79 PolarHBondContact O-N 2.85Å; L79-R81 PolarHBondContact O-N 2.59Å; L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CA 3.39Å; L79-L82 WeakPolarHBondContact O-CB 3.22Å; L79-L82 PolarHBondContact O-N 2.98Å; L79-F86 HydrophobicContact CB-CZ 4.29Å; L79-F86 WeakPolarHBondContact O-CZ 3.43Å; L79-F162 HydrophobicContact CD1-CB 4.4Å; L79-I166 HydrophobicContact CB-CD1 3.59Å; L79-I166 HydrophobicContact CD1-CD1 4.3Å
80R82.4Confident81.7Confident112 Ų11270.6 Ų70.642%0.42332%0.318SS..Hα-helixtrans-60.5-32.1176.7177.9173.3170.8-175.5-0113.3H74 T75 T77 I78 L82 R83H74-R80 PolarHBondContact O-NH1 3.44Å; T75-R80 HydrophobicContact CG2-CB 3.92Å; T75-R80 WeakPolarHBondContact O-CD 3.33Å; T75-R80 PolarHBondContact O-NH1 2.75Å; T75-R80 VanDerWaalsContact O-NH1 3.08Å; T77-R80 PolarHBondContact O-N 3.38Å; I78-R80 VanDerWaalsContact C-N 3.26Å; I78-R80 PolarHBondContact O-N 3.34Å; R80-L82 PolarHBondContact O-N 3.34Å; R80-R83 WeakPolarHBondContact O-CB 3.48Å; R80-R83 PolarHBondContact O-N 2.8Å; R80-R83 VanDerWaalsContact O-N 3.17Å
81R80.2Confident81.3Confident195 Ų19577 Ų7774%0.73634%0.339SS*.Hα-helixtrans-68.9-22.5176.4-61.8-167.5-176.3157.9-1.9112.3I78 L79 R83 P84I78-R81 HydrophobicContact CD1-CB 4.39Å; I78-R81 HydrophobicContact CD1-CG 4.46Å; I78-R81 WeakPolarHBondContact O-CB 3.27Å; I78-R81 PolarHBondContact O-N 3.04Å; L79-R81 PolarHBondContact O-N 2.59Å; R81-R83 PolarHBondContact O-N 3.28Å; R81-P84 WeakPolarHBondContact O-CD 3.17Å
82L80.3Confident80.7Confident65 Ų6580.8 Ų80.834%0.3436%0.359SS..THydrogen-bonded Turntrans-80.2-0.7175.3-56.1178.6000112.9L79 R80 P84 F85 F86L79-L82 HydrophobicContact CD2-CD1 4.34Å; L79-L82 WeakPolarHBondContact O-CA 3.39Å; L79-L82 WeakPolarHBondContact O-CB 3.22Å; L79-L82 PolarHBondContact O-N 2.98Å; R80-L82 PolarHBondContact O-N 3.34Å; L82-P84 VanDerWaalsContact C-CD 3.42Å; L82-F85 CarbonylContact O-C 3.54Å; L82-F85 WeakPolarHBondContact O-CA 3.37Å; L82-F85 PolarHBondContact O-N 3.2Å; L82-F86 HydrophobicContact CB-CD1 4.16Å; L82-F86 HydrophobicContact CB-CE1 3.75Å; L82-F86 HydrophobicContact CB-CZ 4.23Å; L82-F86 PolarHBondContact O-N 3.31Å
83R78.7Confident80.2Confident132 Ų13281.9 Ų81.950%0.49836%0.364SS..G310 helixtrans-48.8-45-178.5-167.2-179.2-174.1-171.25.3115.1R80 R81 F85 F86 T167R80-R83 WeakPolarHBondContact O-CB 3.48Å; R80-R83 PolarHBondContact O-N 2.8Å; R80-R83 VanDerWaalsContact O-N 3.17Å; R81-R83 PolarHBondContact O-N 3.28Å; R83-F85 PolarHBondContact O-N 2.71Å; R83-F86 HydrophobicContact CB-CD2 4.07Å; R83-F86 HydrophobicContact CB-CE2 4.07Å; R83-F86 HydrophobicContact CG-CD2 4.13Å; R83-F86 HydrophobicContact CG-CE2 4.38Å; R83-F86 PolarHBondContact O-N 3.19Å; R83-T167 PolarHBondContact NH2-O 3.42Å
84P76.8Confident79.5Confident107 Ų10783.8 Ų83.870%0.69537%0.369SS*.G310 helixtrans-61.8-27.7176.9-22.434.8000113.4R81 L82R81-P84 WeakPolarHBondContact O-CD 3.17Å; L82-P84 VanDerWaalsContact C-CD 3.42Å
85F79.1Confident78.8Confident123 Ų12386.9 Ų86.954%0.53938%0.384SS..G310 helixtrans-98.7-3.7-176.8-56.3-76.7000113L82 R83 R87 L88 V89L82-F85 CarbonylContact O-C 3.54Å; L82-F85 WeakPolarHBondContact O-CA 3.37Å; L82-F85 PolarHBondContact O-N 3.2Å; R83-F85 PolarHBondContact O-N 2.71Å; F85-R87 PolarHBondContact O-N 3.39Å; F85-R87 VanDerWaalsContact O-N 3.13Å; F85-L88 PolarHBondContact O-N 3.17Å; F85-V89 HydrophobicContact CB-CG2 3.94Å; F85-V89 WeakPolarHBondContact O-CB 3.15Å; F85-V89 WeakPolarHBondContact O-CG2 3.34Å; F85-V89 PolarHBondContact O-N 2.74Å
86F75.5Confident78.3Confident8 Ų888.5 Ų88.54%0.03540%0.395CS..Hα-helixtrans-60.1-28.1-173.9-82.3-33.4000114L79 L82 R83 N90 I166 T167L79-F86 HydrophobicContact CB-CZ 4.29Å; L79-F86 WeakPolarHBondContact O-CZ 3.43Å; L82-F86 HydrophobicContact CB-CD1 4.16Å; L82-F86 HydrophobicContact CB-CE1 3.75Å; L82-F86 HydrophobicContact CB-CZ 4.23Å; L82-F86 PolarHBondContact O-N 3.31Å; R83-F86 HydrophobicContact CB-CD2 4.07Å; R83-F86 HydrophobicContact CB-CE2 4.07Å; R83-F86 HydrophobicContact CG-CD2 4.13Å; R83-F86 HydrophobicContact CG-CE2 4.38Å; R83-F86 PolarHBondContact O-N 3.19Å; F86-N90 WeakPolarHBondContact O-CA 3.44Å; F86-N90 WeakPolarHBondContact O-CB 3.5Å; F86-N90 PolarHBondContact O-N 3.37Å; F86-I166 HydrophobicContact CE2-CB 3.95Å; F86-I166 HydrophobicContact CE2-CD1 4.28Å; F86-I166 HydrophobicContact CE2-CG2 3.78Å; F86-I166 HydrophobicContact CZ-CB 4.48Å; F86-I166 HydrophobicContact CZ-CD1 3.95Å; F86-I166 HydrophobicContact CZ-CG2 4.46Å; F86-T167 WeakPolarHBondContact CD2-OG1 3.28Å
87R74.1Confident78Confident237 Ų23784.2 Ų84.289%0.89438%0.38SS*.Hα-helixtrans-59.6-51172.2-77.2-174.7176.3169.5-1.7111.3F85 W91F85-R87 PolarHBondContact O-N 3.39Å; F85-R87 VanDerWaalsContact O-N 3.13Å; R87-W91 VanDerWaalsContact O-CB 3.29Å; R87-W91 WeakPolarHBondContact O-CB 2.97Å; R87-W91 PolarHBondContact O-N 2.93Å; R87-W91 VanDerWaalsContact O-N 3.07Å
88L78.7Confident78.1Confident104 Ų10487.8 Ų87.855%0.54540%0.399SS..Hα-helixtrans-70-45.4178.6-179.663.4000111.8F85 W91 M92F85-L88 PolarHBondContact O-N 3.17Å; L88-W91 PolarHBondContact O-N 3.36Å; L88-M92 HydrophobicContact CG-CE 4.19Å; L88-M92 WeakPolarHBondContact O-CG 3.49Å; L88-M92 PolarHBondContact O-N 3.21Å
89V75.2Confident78.5Confident31 Ų3186.7 Ų86.719%0.18839%0.392CS..Hα-helixtrans-65.2-45.2-179173.20000111F85 W91 M92 L93F85-V89 HydrophobicContact CB-CG2 3.94Å; F85-V89 WeakPolarHBondContact O-CB 3.15Å; F85-V89 WeakPolarHBondContact O-CG2 3.34Å; F85-V89 PolarHBondContact O-N 2.74Å; V89-W91 VanDerWaalsContact C-N 3.31Å; V89-W91 PolarHBondContact O-N 3.12Å; V89-M92 HydrophobicContact CG2-CE 4.17Å; V89-M92 PolarHBondContact O-N 3.43Å; V89-L93 HydrophobicContact CG1-CD1 3.71Å; V89-L93 HydrophobicContact CG1-CG 4.23Å; V89-L93 WeakPolarHBondContact O-CB 3.17Å; V89-L93 VanDerWaalsContact O-CG 3.22Å; V89-L93 WeakPolarHBondContact O-CG 3.3Å; V89-L93 PolarHBondContact O-N 3.49Å
90N74Confident78.7Confident21 Ų2187.2 Ų87.211%0.11240%0.395CS..Hα-helixtrans-64.9-38.4175.6-70.1-5.2000110.8F86 L93 K94 A160F86-N90 WeakPolarHBondContact O-CA 3.44Å; F86-N90 WeakPolarHBondContact O-CB 3.5Å; F86-N90 PolarHBondContact O-N 3.37Å; N90-L93 PolarHBondContact O-N 2.97Å; N90-K94 WeakPolarHBondContact O-CB 3.49Å; N90-K94 WeakPolarHBondContact O-CG 3.33Å; N90-K94 PolarHBondContact O-N 2.81Å; N90-A160 HydrophobicContact CB-CB 4.37Å; N90-A160 PolarHBondContact ND2-O 2.87Å; N90-A160 PolarHBondContact OD1-O 2.83Å
91W77.2Confident78.7Confident152 Ų15285.8 Ų85.858%0.57640%0.395SS*.Hα-helixtrans-60.3-49.2173.6-179.390.2000111.3R87 L88 V89 L93 K94 H95R87-W91 VanDerWaalsContact O-CB 3.29Å; R87-W91 WeakPolarHBondContact O-CB 2.97Å; R87-W91 PolarHBondContact O-N 2.93Å; R87-W91 VanDerWaalsContact O-N 3.07Å; L88-W91 PolarHBondContact O-N 3.36Å; V89-W91 VanDerWaalsContact C-N 3.31Å; V89-W91 PolarHBondContact O-N 3.12Å; W91-L93 PolarHBondContact O-N 3.16Å; W91-K94 PolarHBondContact O-N 3.41Å; W91-H95 AromaticContact CD1-CE1 3.39Å; W91-H95 AromaticContact CD1-ND1 3.77Å; W91-H95 AromaticContact CD2-ND1 3.91Å; W91-H95 AromaticContact CE2-CE1 3.7Å; W91-H95 AromaticContact CE2-ND1 3.72Å; W91-H95 AromaticContact CG-ND1 3.93Å; W91-H95 AromaticContact NE1-CE1 3.17Å; W91-H95 PolarHBondContact NE1-CE1 2.89Å; W91-H95 AromaticContact NE1-ND1 3.63Å; W91-H95 AromaticContact NE1-NE2 3.9Å; W91-H95 PolarHBondContact O-N 3.25Å; W91-H95 PolarHBondContact O-ND1 2.8Å
92M77.8Confident78.9Confident94 Ų9477.8 Ų77.846%0.46337%0.371SS..Hα-helixtrans-60.8-44.5177.3-70.5-172.6-63.100112.3L88 V89 H95 S96L88-M92 HydrophobicContact CG-CE 4.19Å; L88-M92 WeakPolarHBondContact O-CG 3.49Å; L88-M92 PolarHBondContact O-N 3.21Å; V89-M92 HydrophobicContact CG2-CE 4.17Å; V89-M92 PolarHBondContact O-N 3.43Å; M92-H95 PolarHBondContact O-N 2.87Å; M92-S96 WeakPolarHBondContact O-CB 3.48Å; M92-S96 PolarHBondContact O-N 3.34Å; M92-S96 VanDerWaalsContact O-N 3.12Å
93L78.3Confident79.1Confident24 Ų2475.1 Ų75.113%0.12636%0.357CS..Hα-helixtrans-65.9-43.1179.5-70.5172.4000111.5V89 N90 W91 H95 S96 I100 T156 I159 A160V89-L93 HydrophobicContact CG1-CD1 3.71Å; V89-L93 HydrophobicContact CG1-CG 4.23Å; V89-L93 WeakPolarHBondContact O-CB 3.17Å; V89-L93 VanDerWaalsContact O-CG 3.22Å; V89-L93 WeakPolarHBondContact O-CG 3.3Å; V89-L93 PolarHBondContact O-N 3.49Å; N90-L93 PolarHBondContact O-N 2.97Å; W91-L93 PolarHBondContact O-N 3.16Å; L93-H95 VanDerWaalsContact C-N 3.27Å; L93-H95 PolarHBondContact O-N 2.87Å; L93-S96 PolarHBondContact O-N 3.13Å; L93-S96 PolarHBondContact O-OG 3.32Å; L93-I100 HydrophobicContact CD2-CD1 4.3Å; L93-T156 HydrophobicContact CD2-CG2 3.95Å; L93-T156 PolarHBondContact O-OG1 2.49Å; L93-I159 HydrophobicContact CD1-CB 3.97Å; L93-I159 HydrophobicContact CD1-CG2 3.64Å; L93-A160 HydrophobicContact CB-CB 3.98Å; L93-A160 HydrophobicContact CD1-CB 4.41Å
94K73.5Confident79.3Confident51 Ų5172.2 Ų72.222%0.22235%0.354CS..Hα-helixtrans-53.9-41.5175.3-83.8172.9174.6-168.20112.4N90 W91 H97 L157 A160 F174 D175N90-K94 WeakPolarHBondContact O-CB 3.49Å; N90-K94 WeakPolarHBondContact O-CG 3.33Å; N90-K94 PolarHBondContact O-N 2.81Å; W91-K94 PolarHBondContact O-N 3.41Å; K94-H97 PolarHBondContact O-CD2 3.13Å; K94-H97 VanDerWaalsContact O-CD2 3.3Å; K94-H97 PolarHBondContact O-NE2 2.62Å; K94-L157 HydrophobicContact CG-CD2 4.36Å; K94-A160 HydrophobicContact CG-CB 4.4Å; K94-F174 HydrophobicContact CD-CZ 4.18Å; K94-F174 VanDerWaalsContact CE-CZ 3.45Å; K94-F174 HydrophobicContact CG-CE1 4.32Å; K94-F174 HydrophobicContact CG-CZ 3.71Å; K94-D175 VanDerWaalsContact CE-O 3.24Å; K94-D175 WeakPolarHBondContact CE-O 3.33Å; K94-D175 PolarHBondContact NZ-O 3.44Å
95H77Confident79.6Confident105 Ų10572.7 Ų72.749%0.48635%0.347SS..Hα-helixtrans-90.2-8.7-176.5-64.583.9000114.2W91 M92 L93W91-H95 AromaticContact CD1-CE1 3.39Å; W91-H95 AromaticContact CD1-ND1 3.77Å; W91-H95 AromaticContact CD2-ND1 3.91Å; W91-H95 AromaticContact CE2-CE1 3.7Å; W91-H95 AromaticContact CE2-ND1 3.72Å; W91-H95 AromaticContact CG-ND1 3.93Å; W91-H95 AromaticContact NE1-CE1 3.17Å; W91-H95 PolarHBondContact NE1-CE1 2.89Å; W91-H95 AromaticContact NE1-ND1 3.63Å; W91-H95 AromaticContact NE1-NE2 3.9Å; W91-H95 PolarHBondContact O-N 3.25Å; W91-H95 PolarHBondContact O-ND1 2.8Å; M92-H95 PolarHBondContact O-N 2.87Å; L93-H95 VanDerWaalsContact C-N 3.27Å; L93-H95 PolarHBondContact O-N 2.87Å
96S76.8Confident79.7Confident33 Ų3368.9 Ų68.923%0.23134%0.343CS..Hα-helixtrans-76.8-36.7-177.366.90000113.6M92 L93 N98 T156M92-S96 WeakPolarHBondContact O-CB 3.48Å; M92-S96 PolarHBondContact O-N 3.34Å; M92-S96 VanDerWaalsContact O-N 3.12Å; L93-S96 PolarHBondContact O-N 3.13Å; L93-S96 PolarHBondContact O-OG 3.32Å; S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 VanDerWaalsContact O-CG 3.23Å; S96-N98 PolarHBondContact O-N 2.7Å; S96-N98 PolarHBondContact O-ND2 2.78Å; S96-T156 VanDerWaalsContact OG-CB 3.22Å; S96-T156 WeakPolarHBondContact OG-CB 3.47Å; S96-T156 WeakPolarHBondContact OG-CG2 3.3Å; S96-T156 PolarHBondContact OG-OG1 3.01Å
97H77.8Confident80Confident48 Ų4871.1 Ų71.122%0.22236%0.357CS..  trans4155.2-178.4-61.1-92.7000113.8K30 S34 K94K30-H97 HydrophobicContact CB-CB 3.66Å; K30-H97 HydrophobicContact CD-CB 4.22Å; K30-H97 HydrophobicContact CG-CB 3.86Å; S34-H97 PolarHBondContact OG-CE1 3.23Å; S34-H97 PolarHBondContact OG-ND1 3.47Å; K94-H97 PolarHBondContact O-CD2 3.13Å; K94-H97 VanDerWaalsContact O-CD2 3.3Å; K94-H97 PolarHBondContact O-NE2 2.62Å
98N85.9Confident80.4Confident84 Ų8462.3 Ų62.345%0.44933%0.325SS..  trans-134.1165.7-174.4-80.2-41.3000111.4S96 T156S96-N98 VanDerWaalsContact C-N 3.34Å; S96-N98 VanDerWaalsContact O-CG 3.23Å; S96-N98 PolarHBondContact O-N 2.7Å; S96-N98 PolarHBondContact O-ND2 2.78Å; N98-T156 PolarHBondContact N-OG1 3.49Å; N98-T156 WeakPolarHBondContact O-CG2 3.39Å; N98-T156 PolarHBondContact O-N 2.04Å; N98-T156 PolarHBondContact O-OG1 3.35Å
99E88.6Confident80.6Confident56 Ų5664.1 Ų64.126%0.26232%0.324SS..EExtended strand (participates in β ladder)trans-66.1134.4166.4-166.5172.6177.500110.9K20 W33 A102 G153 T154K20-E99 WeakPolarHBondContact CE-OE1 3.31Å; K20-E99 IonicContact NZ-OE1 2.66Å; K20-E99 PolarHBondContact NZ-OE1 3.38Å; K20-E99 IonicContact NZ-OE2 2.76Å; K20-E99 PolarHBondContact NZ-OE2 3.46Å; W33-E99 HydrophobicContact CD2-CB 4.13Å; W33-E99 HydrophobicContact CE3-CB 4.21Å; W33-E99 HydrophobicContact CH2-CB 3.56Å; W33-E99 VanDerWaalsContact CH2-CD 3.48Å; W33-E99 HydrophobicContact CH2-CG 3.36Å; W33-E99 HydrophobicContact CZ2-CB 3.45Å; W33-E99 VanDerWaalsContact CZ2-CB 3.45Å; W33-E99 HydrophobicContact CZ2-CG 3.78Å; W33-E99 HydrophobicContact CZ3-CB 3.93Å; W33-E99 HydrophobicContact CZ3-CG 3.78Å; E99-A102 HydrophobicContact CG-CB 3.85Å; E99-A102 VanDerWaalsContact OE1-CA 3.3Å; E99-A102 WeakPolarHBondContact OE1-CA 3.24Å; E99-A102 WeakPolarHBondContact OE1-CB 3.49Å; E99-G153 WeakPolarHBondContact OE1-CA 3.28Å; E99-T154 WeakPolarHBondContact CA-O 3.24Å
100I85.5Confident80.7Confident49 Ų4965.6 Ų65.625%0.25133%0.334SS..EExtended strand (participates in β ladder)trans-121.2149167.8-161.5165000110.4L93 A102 G153 T154 T156 I159L93-I100 HydrophobicContact CD2-CD1 4.3Å; I100-A102 VanDerWaalsContact C-N 3.28Å; I100-A102 PolarHBondContact O-N 2.81Å; I100-G153 WeakPolarHBondContact O-CA 3.13Å; I100-T154 HydrophobicContact CG2-CG2 3.82Å; I100-T154 PolarHBondContact N-O 3.12Å; I100-T154 PolarHBondContact O-N 3.36Å; I100-T156 HydrophobicContact CB-CG2 3.82Å; I100-T156 HydrophobicContact CD1-CG2 4.24Å; I100-T156 HydrophobicContact CG2-CG2 4.24Å; I100-I159 HydrophobicContact CD1-CG1 4.29Å; I100-I159 HydrophobicContact CG2-CD1 4.46Å; I100-I159 HydrophobicContact CG2-CG1 3.69Å
101L82.6Confident81Confident83 Ų8364.9 Ų64.944%0.43533%0.33SS..SBendtrans57.837.4-178.4-52.5179.2000113.6P151 G153L101-P151 HydrophobicContact CB-CB 3.66Å; L101-P151 HydrophobicContact CB-CG 3.75Å; L101-P151 HydrophobicContact CD1-CB 4.41Å; L101-P151 WeakPolarHBondContact O-CB 3.45Å; L101-P151 WeakPolarHBondContact O-CG 3.43Å; L101-G153 WeakPolarHBondContact O-CA 3.4Å; L101-G153 PolarHBondContact O-N 2.91Å
102A83.2Confident81.1Confident26 Ų2663 Ų6322%0.21532%0.323CS..  trans-61.6136.7178.400000112.7E99 I100 T104E99-A102 HydrophobicContact CG-CB 3.85Å; E99-A102 VanDerWaalsContact OE1-CA 3.3Å; E99-A102 WeakPolarHBondContact OE1-CA 3.24Å; E99-A102 WeakPolarHBondContact OE1-CB 3.49Å; I100-A102 VanDerWaalsContact C-N 3.28Å; I100-A102 PolarHBondContact O-N 2.81Å; A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 HydrophobicContact CB-CG2 3.92Å; A102-T104 PolarHBondContact O-N 3.39Å; A102-T104 VanDerWaalsContact O-N 3.13Å
103N84.2Confident81.2Confident9 Ų965 Ų655%0.04833%0.329CS..  trans-86.768171.1-145.9-53.4000111.8I17 K108 L147 S148 H149 Y150 P151I17-N103 HydrophobicContact CD1-CB 4.26Å; I17-N103 HydrophobicContact CG2-CB 3.68Å; N103-K108 WeakPolarHBondContact O-CE 3.33Å; N103-K108 WeakPolarHBondContact OD1-CG 3.47Å; N103-L147 PolarHBondContact ND2-O 3.26Å; N103-S148 PolarHBondContact ND2-O 3.47Å; N103-S148 PolarHBondContact OD1-O 3.44Å; N103-H149 VanDerWaalsContact ND2-C 3.31Å; N103-Y150 PolarHBondContact ND2-N 3.26Å; N103-P151 WeakPolarHBondContact CB-O 3.37Å; N103-P151 PolarHBondContact ND2-O 2.79Å
104T83.9Confident81.1Confident71 Ų7167 Ų6744%0.43634%0.34SS..  trans-69.9161.5179.667.70000111.6A102 G106 V107 K108A102-T104 VanDerWaalsContact C-N 3.31Å; A102-T104 HydrophobicContact CB-CG2 3.92Å; A102-T104 PolarHBondContact O-N 3.39Å; A102-T104 VanDerWaalsContact O-N 3.13Å; T104-G106 PolarHBondContact O-N 3.07Å; T104-G106 VanDerWaalsContact O-N 3.16Å; T104-G106 PolarHBondContact OG1-N 3.26Å; T104-V107 PolarHBondContact O-N 2.92Å; T104-V107 PolarHBondContact OG1-N 3.14Å; T104-K108 WeakPolarHBondContact O-CG 3.2Å; T104-K108 PolarHBondContact O-N 3.12Å
105E83Confident81.3Confident117 Ų11765 Ų6555%0.54733%0.332SS..Hα-helixtrans-57.1-30.2172.9-72.5-53.412800112.7K108 W109 R112E105-K108 WeakPolarHBondContact OE1-CD 3.39Å; E105-K108 IonicContact OE1-NZ 3.28Å; E105-K108 PolarHBondContact OE1-NZ 3.17Å; E105-W109 WeakPolarHBondContact O-CB 3.11Å; E105-W109 PolarHBondContact O-N 2.72Å; E105-R112 IonicContact OE2-NH2 3.57Å
106G81.4Confident81Confident44 Ų4465.1 Ų65.145%0.45433%0.331SS..Hα-helixtrans-62.7-48.8170.400000112.4T104 W109 V110T104-G106 PolarHBondContact O-N 3.07Å; T104-G106 VanDerWaalsContact O-N 3.16Å; T104-G106 PolarHBondContact OG1-N 3.26Å; G106-W109 WeakPolarHBondContact O-CB 3.31Å; G106-W109 PolarHBondContact O-N 3.46Å; G106-V110 WeakPolarHBondContact O-CB 3.26Å; G106-V110 WeakPolarHBondContact O-CG2 3.35Å; G106-V110 PolarHBondContact O-N 2.72Å
107V80.9Confident80.7Confident54 Ų5470.5 Ų70.533%0.32735%0.346SS..Hα-helixtrans-62.6-44.3175.8174.60000111T104 W109 V110 A111T104-V107 PolarHBondContact O-N 2.92Å; T104-V107 PolarHBondContact OG1-N 3.14Å; V107-W109 VanDerWaalsContact C-N 3.32Å; V107-W109 PolarHBondContact O-N 3.32Å; V107-V110 PolarHBondContact O-N 2.63Å; V107-A111 WeakPolarHBondContact O-CB 3.5Å; V107-A111 PolarHBondContact O-N 3.07Å
108K82.7Confident80Confident52 Ų5275.5 Ų75.523%0.22637%0.367CS..Hα-helixtrans-61-40.4174.6-65.4-177.2-166.3163.30112.1N103 T104 E105 R112N103-K108 WeakPolarHBondContact O-CE 3.33Å; N103-K108 WeakPolarHBondContact OD1-CG 3.47Å; T104-K108 WeakPolarHBondContact O-CG 3.2Å; T104-K108 PolarHBondContact O-N 3.12Å; E105-K108 WeakPolarHBondContact OE1-CD 3.39Å; E105-K108 IonicContact OE1-NZ 3.28Å; E105-K108 PolarHBondContact OE1-NZ 3.17Å; K108-R112 VanDerWaalsContact O-CB 3.27Å; K108-R112 WeakPolarHBondContact O-CB 3.24Å; K108-R112 WeakPolarHBondContact O-CG 3.4Å; K108-R112 PolarHBondContact O-N 3.4Å; K108-R112 PolarHBondContact O-NE 3.1Å
109W83.3Confident79.3Confident142 Ų14273.8 Ų73.854%0.53836%0.36SS..Hα-helixtrans-64-47.2176.6-178.999.4000110.7E105 G106 V107 A111 R112 K113E105-W109 WeakPolarHBondContact O-CB 3.11Å; E105-W109 PolarHBondContact O-N 2.72Å; G106-W109 WeakPolarHBondContact O-CB 3.31Å; G106-W109 PolarHBondContact O-N 3.46Å; V107-W109 VanDerWaalsContact C-N 3.32Å; V107-W109 PolarHBondContact O-N 3.32Å; W109-A111 PolarHBondContact O-N 3.43Å; W109-R112 PolarHBondContact O-N 3.18Å; W109-K113 HydrophobicContact CD2-CG 4.07Å; W109-K113 HydrophobicContact CE3-CG 4.49Å; W109-K113 HydrophobicContact CH2-CG 4.42Å; W109-K113 HydrophobicContact CZ2-CG 4.02Å; W109-K113 WeakPolarHBondContact O-CB 3.03Å; W109-K113 WeakPolarHBondContact O-CG 3.31Å; W109-K113 PolarHBondContact O-N 2.85Å
110V77.7Confident78.7Confident63 Ų6372 Ų7238%0.38235%0.352SS..Hα-helixtrans-57.9-50175.3166.20000110.2G106 V107 R112 K113 I114G106-V110 WeakPolarHBondContact O-CB 3.26Å; G106-V110 WeakPolarHBondContact O-CG2 3.35Å; G106-V110 PolarHBondContact O-N 2.72Å; V107-V110 PolarHBondContact O-N 2.63Å; V110-R112 PolarHBondContact O-N 3.21Å; V110-K113 PolarHBondContact O-N 3.43Å; V110-I114 HydrophobicContact CG1-CB 4.31Å; V110-I114 HydrophobicContact CG1-CD1 3.75Å; V110-I114 HydrophobicContact CG1-CG1 4.04Å; V110-I114 WeakPolarHBondContact O-CA 3.49Å; V110-I114 VanDerWaalsContact O-CB 3.22Å; V110-I114 WeakPolarHBondContact O-CB 3.19Å; V110-I114 WeakPolarHBondContact O-CG1 3.16Å; V110-I114 PolarHBondContact O-N 2.8Å
111A80.3Confident77.9Confident5 Ų576 Ų764%0.04137%0.365CS..Hα-helixtrans-56.8-47.1176.200000112.3V107 W109 K113 C115 L147V107-A111 WeakPolarHBondContact O-CB 3.5Å; V107-A111 PolarHBondContact O-N 3.07Å; W109-A111 PolarHBondContact O-N 3.43Å; A111-K113 VanDerWaalsContact C-N 3.31Å; A111-K113 PolarHBondContact O-N 2.81Å; A111-C115 VanDerWaalsContact O-CB 3.26Å; A111-C115 WeakPolarHBondContact O-CB 3.42Å; A111-C115 PolarHBondContact O-N 3.22Å; A111-C115 VanDerWaalsContact O-N 3.08Å; A111-L147 HydrophobicContact CB-CB 3.52Å
112R79.7Confident77.6Confident114 Ų11476.2 Ų76.243%0.4337%0.365SS..Hα-helixtrans-65.9-28.6179.9-77.6-175.9-67.9164-7.7113.8E105 K108 W109 V110 K116E105-R112 IonicContact OE2-NH2 3.57Å; K108-R112 VanDerWaalsContact O-CB 3.27Å; K108-R112 WeakPolarHBondContact O-CB 3.24Å; K108-R112 WeakPolarHBondContact O-CG 3.4Å; K108-R112 PolarHBondContact O-N 3.4Å; K108-R112 PolarHBondContact O-NE 3.1Å; W109-R112 PolarHBondContact O-N 3.18Å; V110-R112 PolarHBondContact O-N 3.21Å; R112-K116 WeakPolarHBondContact O-CD 3.37Å; R112-K116 WeakPolarHBondContact O-CE 3.13Å; R112-K116 PolarHBondContact O-NZ 2.86Å; R112-K116 VanDerWaalsContact O-NZ 3.12Å
113K79.8Confident77.5Confident136 Ų13675.3 Ų75.359%0.59136%0.357SS*.Hα-helixtrans-99.5-47-176.3-67-70.6-175.21730112.6W109 V110 A111W109-K113 HydrophobicContact CD2-CG 4.07Å; W109-K113 HydrophobicContact CE3-CG 4.49Å; W109-K113 HydrophobicContact CH2-CG 4.42Å; W109-K113 HydrophobicContact CZ2-CG 4.02Å; W109-K113 WeakPolarHBondContact O-CB 3.03Å; W109-K113 WeakPolarHBondContact O-CG 3.31Å; W109-K113 PolarHBondContact O-N 2.85Å; V110-K113 PolarHBondContact O-N 3.43Å; A111-K113 VanDerWaalsContact C-N 3.31Å; A111-K113 PolarHBondContact O-N 2.81Å
114I76.6Confident77.2Confident66 Ų6676 Ų7634%0.33836%0.36SS..Hα-helixtrans-83.1-36.6-175.3-53.8-163.1000111.2V110 K116 T119V110-I114 HydrophobicContact CG1-CB 4.31Å; V110-I114 HydrophobicContact CG1-CD1 3.75Å; V110-I114 HydrophobicContact CG1-CG1 4.04Å; V110-I114 WeakPolarHBondContact O-CA 3.49Å; V110-I114 VanDerWaalsContact O-CB 3.22Å; V110-I114 WeakPolarHBondContact O-CB 3.19Å; V110-I114 WeakPolarHBondContact O-CG1 3.16Å; V110-I114 PolarHBondContact O-N 2.8Å; I114-K116 PolarHBondContact O-N 2.8Å; I114-T119 HydrophobicContact CG2-CG2 4.34Å; I114-T119 CarbonylContact O-C 2.98Å; I114-T119 WeakPolarHBondContact O-CB 3.13Å; I114-T119 PolarHBondContact O-OG1 3.36Å
115C76.1Confident76.8Confident9 Ų978.1 Ų78.16%0.06137%0.367CS..SBendtrans-85.840.1-178.6-50.60000112.9A111 C123 L147A111-C115 VanDerWaalsContact O-CB 3.26Å; A111-C115 WeakPolarHBondContact O-CB 3.42Å; A111-C115 PolarHBondContact O-N 3.22Å; A111-C115 VanDerWaalsContact O-N 3.08Å; C115-C123 WeakPolarHBondContact CA-SG 3.34Å; C115-C123 HydrophobicContact CB-CB 3.86Å; C115-C123 WeakPolarHBondContact CB-SG 3.43Å; C115-C123 WeakPolarHBondContact SG-CB 3.36Å; C115-C123 CovalentContact SG-SG 2.04Å; C115-C123 PolarHBondContact SG-SG 3.14Å; C115-L147 HydrophobicContact CB-CD1 3.66Å; C115-L147 WeakPolarHBondContact SG-CD1 3.45Å
116K72.2Confident76.3Confident107 Ų10777.1 Ų77.147%0.46536%0.364SS..SBendtrans-127.1146.5173.9-69-174.5178.6164.70110.5R112 I114 K118 T119R112-K116 WeakPolarHBondContact O-CD 3.37Å; R112-K116 WeakPolarHBondContact O-CE 3.13Å; R112-K116 PolarHBondContact O-NZ 2.86Å; R112-K116 VanDerWaalsContact O-NZ 3.12Å; I114-K116 PolarHBondContact O-N 2.8Å; K116-K118 PolarHBondContact O-N 3.28Å; K116-T119 PolarHBondContact O-N 3.43Å; K116-T119 PolarHBondContact O-OG1 3.46Å
117R69.7Low76.2Confident146 Ų14676 Ų7655%0.55135%0.348SS*.G310 helixtrans50.7-106.8172.1-57.3-178.5178.4166.70.1113.6T119R117-T119 VanDerWaalsContact C-N 3.34Å; R117-T119 PolarHBondContact O-N 3.47Å
118K64Low75.9Confident152 Ų15278 Ų7866%0.66135%0.354SS*.G310 helixtrans-71.6-23.9-166.1-64.9-165.4165.81790113.7K116 K451K116-K118 PolarHBondContact O-N 3.28Å; K118-K451 VanDerWaalsContact CB-NZ 3.34Å; K118-K451 HydrophobicContact CD-CD 4.33Å; K118-K451 VanDerWaalsContact CD-NZ 3.27Å; K118-K451 HydrophobicContact CG-CD 3.83Å
119T70.8Confident75.3Confident49 Ų4978.7 Ų78.730%0.30136%0.364SS..G310 helixtrans-112.41.4-168.332.40000113.3I114 K116 R117 R121 I122I114-T119 HydrophobicContact CG2-CG2 4.34Å; I114-T119 CarbonylContact O-C 2.98Å; I114-T119 WeakPolarHBondContact O-CB 3.13Å; I114-T119 PolarHBondContact O-OG1 3.36Å; K116-T119 PolarHBondContact O-N 3.43Å; K116-T119 PolarHBondContact O-OG1 3.46Å; R117-T119 VanDerWaalsContact C-N 3.34Å; R117-T119 PolarHBondContact O-N 3.47Å; T119-R121 PolarHBondContact O-N 3.07Å; T119-R121 VanDerWaalsContact O-N 3.1Å; T119-I122 HydrophobicContact CG2-CD1 4.19Å; T119-I122 PolarHBondContact O-N 3.13Å
120V75.2Confident74.7Confident17 Ų1775.7 Ų75.710%0.10336%0.358CS..Hα-helixtrans-46.3-41.7173162.40000111.9I122 C123 E124 L143V120-I122 VanDerWaalsContact C-N 3.3Å; V120-I122 PolarHBondContact O-N 2.78Å; V120-C123 CarbonylContact O-C 3.56Å; V120-C123 WeakPolarHBondContact O-CA 3.4Å; V120-C123 WeakPolarHBondContact O-CB 3.38Å; V120-C123 PolarHBondContact O-N 3.32Å; V120-E124 HydrophobicContact CG1-CG 3.87Å; V120-E124 WeakPolarHBondContact O-CG 3.4Å; V120-E124 PolarHBondContact O-N 3.49Å; V120-L143 HydrophobicContact CG1-CD1 3.53Å
121R68.1Low74.5Confident134 Ų13474.4 Ų74.451%0.50636%0.358SS..Hα-helixtrans-57.8-37-179.6-174.3178.3177163.64.1114.2T119 C123 E124 M125T119-R121 PolarHBondContact O-N 3.07Å; T119-R121 VanDerWaalsContact O-N 3.1Å; R121-C123 VanDerWaalsContact C-N 3.28Å; R121-E124 PolarHBondContact O-N 3.41Å; R121-M125 WeakPolarHBondContact O-CB 3.29Å; R121-M125 PolarHBondContact O-N 3.38Å
122I78Confident74.1Confident88 Ų8875.4 Ų75.445%0.45137%0.368SS..Hα-helixtrans-63.8-43.5177.6-61.2174.6000108.5T119 V120 M125 L126T119-I122 HydrophobicContact CG2-CD1 4.19Å; T119-I122 PolarHBondContact O-N 3.13Å; V120-I122 VanDerWaalsContact C-N 3.3Å; V120-I122 PolarHBondContact O-N 2.78Å; I122-M125 PolarHBondContact O-N 2.82Å; I122-L126 HydrophobicContact CG2-CD1 4.06Å; I122-L126 WeakPolarHBondContact O-CB 3.36Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 3.29Å
123C79.3Confident73.9Confident7 Ų771 Ų715%0.04735%0.352CS..Hα-helixtrans-67.3-42.5178-48.10000112C115 V120 R121 M125 L126 L127 L147C115-C123 WeakPolarHBondContact CA-SG 3.34Å; C115-C123 HydrophobicContact CB-CB 3.86Å; C115-C123 WeakPolarHBondContact CB-SG 3.43Å; C115-C123 WeakPolarHBondContact SG-CB 3.36Å; C115-C123 CovalentContact SG-SG 2.04Å; C115-C123 PolarHBondContact SG-SG 3.14Å; V120-C123 CarbonylContact O-C 3.56Å; V120-C123 WeakPolarHBondContact O-CA 3.4Å; V120-C123 WeakPolarHBondContact O-CB 3.38Å; V120-C123 PolarHBondContact O-N 3.32Å; R121-C123 VanDerWaalsContact C-N 3.28Å; C123-M125 VanDerWaalsContact C-N 3.33Å; C123-M125 PolarHBondContact O-N 3.17Å; C123-L126 PolarHBondContact O-N 2.9Å; C123-L127 VanDerWaalsContact O-CB 3.31Å; C123-L127 WeakPolarHBondContact O-CB 2.98Å; C123-L127 WeakPolarHBondContact O-CG 3.21Å; C123-L127 PolarHBondContact O-N 3.22Å; C123-L147 HydrophobicContact CB-CD1 3.8Å
124E78.6Confident73.4Confident22 Ų2267.2 Ų67.210%0.10334%0.336CS..Hα-helixtrans-60.1-42.1175-64.3-179.7142.300112.1V120 R121 L127 H128 Y133 L143 R446V120-E124 HydrophobicContact CG1-CG 3.87Å; V120-E124 WeakPolarHBondContact O-CG 3.4Å; V120-E124 PolarHBondContact O-N 3.49Å; R121-E124 PolarHBondContact O-N 3.41Å; E124-L127 PolarHBondContact O-N 2.84Å; E124-H128 VanDerWaalsContact O-CB 3.31Å; E124-H128 WeakPolarHBondContact O-CB 3.12Å; E124-H128 PolarHBondContact O-N 3.4Å; E124-Y133 HydrophobicContact CB-CD1 3.93Å; E124-Y133 HydrophobicContact CB-CE1 3.67Å; E124-Y133 HydrophobicContact CG-CD1 4.24Å; E124-Y133 HydrophobicContact CG-CE1 3.46Å; E124-Y133 VanDerWaalsContact CG-CE1 3.46Å; E124-L143 HydrophobicContact CG-CD1 4.03Å; E124-R446 IonicContact OE1-NH2 3.95Å; E124-R446 PolarHBondContact OE1-NH2 3.37Å; E124-R446 IonicContact OE2-CZ 3.8Å; E124-R446 IonicContact OE2-NH2 3.51Å; E124-R446 PolarHBondContact OE2-NH2 2.92Å
125M75.4Confident72.8Confident117 Ų11765.4 Ų65.458%0.57633%0.328SS*.Hα-helixtrans-64.8-44.7177-175.9-175.575.200111.4R121 I122 C123 H128 C129R121-M125 WeakPolarHBondContact O-CB 3.29Å; R121-M125 PolarHBondContact O-N 3.38Å; I122-M125 PolarHBondContact O-N 2.82Å; C123-M125 VanDerWaalsContact C-N 3.33Å; C123-M125 PolarHBondContact O-N 3.17Å; M125-H128 PolarHBondContact O-N 3.25Å; M125-C129 PolarHBondContact O-N 3.08Å; M125-C129 PolarHBondContact O-SG 2.88Å; M125-C129 VanDerWaalsContact O-SG 3.33Å
126L73.1Confident71.9Confident95 Ų9567.5 Ų67.550%0.49734%0.335SS..Hα-helixtrans-62.4-45.8176.4-71.4171.3000111.2I122 C123 H128 C129 L130I122-L126 HydrophobicContact CG2-CD1 4.06Å; I122-L126 WeakPolarHBondContact O-CB 3.36Å; I122-L126 VanDerWaalsContact O-CG 3.27Å; I122-L126 WeakPolarHBondContact O-CG 3.42Å; I122-L126 PolarHBondContact O-N 3.29Å; C123-L126 PolarHBondContact O-N 2.9Å; L126-H128 VanDerWaalsContact C-N 3.31Å; L126-H128 PolarHBondContact O-N 2.89Å; L126-C129 PolarHBondContact O-N 3.37Å; L126-L130 WeakPolarHBondContact O-CB 3.27Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.26Å; L126-L130 PolarHBondContact O-N 3.49Å
127L78.6Confident71.6Confident21 Ų2166.6 Ų66.611%0.1134%0.335CS..Hα-helixtrans-61.5-39.1175.7-73.8172.1000112C123 E124 L130 G131 G132 Y133 L143 L147 Y150C123-L127 VanDerWaalsContact O-CB 3.31Å; C123-L127 WeakPolarHBondContact O-CB 2.98Å; C123-L127 WeakPolarHBondContact O-CG 3.21Å; C123-L127 PolarHBondContact O-N 3.22Å; E124-L127 PolarHBondContact O-N 2.84Å; L127-L130 PolarHBondContact O-N 3.41Å; L127-G131 PolarHBondContact O-N 2.73Å; L127-G132 PolarHBondContact O-N 3.12Å; L127-Y133 HydrophobicContact CB-CD2 3.75Å; L127-Y133 HydrophobicContact CB-CG 3.78Å; L127-Y133 HydrophobicContact CD1-CD2 3.69Å; L127-Y133 HydrophobicContact CD1-CE2 3.77Å; L127-Y133 HydrophobicContact CD1-CG 4.41Å; L127-Y133 HydrophobicContact CG-CD2 4.34Å; L127-L143 HydrophobicContact CD1-CD2 3.5Å; L127-L143 VanDerWaalsContact CD1-CD2 3.5Å; L127-L147 HydrophobicContact CD1-CD1 4.41Å; L127-L147 HydrophobicContact CD1-CD2 4.14Å; L127-L147 HydrophobicContact CD1-CG 4.47Å; L127-L147 HydrophobicContact CD2-CD2 3.68Å; L127-L147 HydrophobicContact CG-CD2 4.1Å; L127-Y150 HydrophobicContact CD2-CD1 3.79Å; L127-Y150 HydrophobicContact CD2-CE1 3.65Å
128H75.7Confident71.7Confident97 Ų9761.5 Ų61.545%0.44932%0.32SS..Hα-helixtrans-61.9-46.5175.2-172.581.3000111.4E124 M125 L126 L130 G132 Y133E124-H128 VanDerWaalsContact O-CB 3.31Å; E124-H128 WeakPolarHBondContact O-CB 3.12Å; E124-H128 PolarHBondContact O-N 3.4Å; M125-H128 PolarHBondContact O-N 3.25Å; L126-H128 VanDerWaalsContact C-N 3.31Å; L126-H128 PolarHBondContact O-N 2.89Å; H128-L130 PolarHBondContact O-N 2.79Å; H128-G132 WeakPolarHBondContact O-CA 3.34Å; H128-G132 PolarHBondContact O-N 3.24Å; H128-Y133 VanDerWaalsContact N-CB 3.33Å; H128-Y133 PolarHBondContact ND1-O 2.96Å
129C69.2Low72.1Confident65 Ų6557.4 Ų57.444%0.43931%0.306SS..Hα-helixtrans-65.5-36177.9-70.80000113.6M125 L126M125-C129 PolarHBondContact O-N 3.08Å; M125-C129 PolarHBondContact O-SG 2.88Å; M125-C129 VanDerWaalsContact O-SG 3.33Å; L126-C129 PolarHBondContact O-N 3.37Å
130L71.7Confident72.2Confident80 Ų8056.8 Ų56.842%0.41931%0.306SS..Hα-helixtrans-76.3-37.9-177.4-71.8171.1000112.8L126 L127 H128 Y150L126-L130 WeakPolarHBondContact O-CB 3.27Å; L126-L130 VanDerWaalsContact O-CG 3.25Å; L126-L130 WeakPolarHBondContact O-CG 3.26Å; L126-L130 PolarHBondContact O-N 3.49Å; L127-L130 PolarHBondContact O-N 3.41Å; H128-L130 PolarHBondContact O-N 2.79Å; L130-Y150 HydrophobicContact CD1-CE1 4.34Å
131G71.8Confident72.1Confident36 Ų3660.1 Ų60.137%0.37133%0.33SS..Hα-helixtrans-158.713.1-171.300000117.1L127L127-G131 PolarHBondContact O-N 2.73Å
132G72.9Confident72.7Confident25 Ų2559.8 Ų59.826%0.25833%0.328SS..  trans85.344.2173.700000115.7L127 H128 E134L127-G132 PolarHBondContact O-N 3.12Å; H128-G132 WeakPolarHBondContact O-CA 3.34Å; H128-G132 PolarHBondContact O-N 3.24Å; G132-E134 PolarHBondContact O-N 3.26Å
133Y74.1Confident72.8Confident23 Ų2355.6 Ų55.69%0.0931%0.307CS..  trans-56.5124.1172.5-173.9-95.4000114.1E124 L127 H128 P135 V138 L143E124-Y133 HydrophobicContact CB-CD1 3.93Å; E124-Y133 HydrophobicContact CB-CE1 3.67Å; E124-Y133 HydrophobicContact CG-CD1 4.24Å; E124-Y133 HydrophobicContact CG-CE1 3.46Å; E124-Y133 VanDerWaalsContact CG-CE1 3.46Å; L127-Y133 HydrophobicContact CB-CD2 3.75Å; L127-Y133 HydrophobicContact CB-CG 3.78Å; L127-Y133 HydrophobicContact CD1-CD2 3.69Å; L127-Y133 HydrophobicContact CD1-CE2 3.77Å; L127-Y133 HydrophobicContact CD1-CG 4.41Å; L127-Y133 HydrophobicContact CG-CD2 4.34Å; H128-Y133 VanDerWaalsContact N-CB 3.33Å; H128-Y133 PolarHBondContact ND1-O 2.96Å; Y133-P135 HydrophobicContact CD1-CG 3.91Å; Y133-P135 HydrophobicContact CE1-CB 3.85Å; Y133-P135 HydrophobicContact CE1-CG 3.61Å; Y133-V138 HydrophobicContact CD2-CB 4.46Å; Y133-V138 HydrophobicContact CD2-CG2 4Å; Y133-V138 HydrophobicContact CE2-CB 3.58Å; Y133-V138 HydrophobicContact CE2-CG1 3.64Å; Y133-V138 HydrophobicContact CE2-CG2 3.59Å; Y133-L143 HydrophobicContact CE2-CD2 3.69Å
134E69.9Low72.9Confident56 Ų5656.1 Ų56.126%0.26231%0.31SS..  trans-108.2109.8166.7178.549.1-113.600110.1G132 R136 N137 V138G132-E134 PolarHBondContact O-N 3.26Å; E134-R136 HydrophobicContact CG-CB 4.19Å; E134-R136 PolarHBondContact O-N 3.43Å; E134-R136 VanDerWaalsContact O-N 3.12Å; E134-R136 PolarHBondContact OE1-N 3.38Å; E134-N137 HydrophobicContact CB-CB 4.41Å; E134-N137 HydrophobicContact CG-CB 4.48Å; E134-N137 PolarHBondContact O-N 3.05Å; E134-N137 VanDerWaalsContact O-N 3.07Å; E134-V138 PolarHBondContact O-N 3.43Å
135P64.2Low73.1Confident27 Ų2757.9 Ų57.918%0.17532%0.323CS..THydrogen-bonded Turntrans-55.7-26.2-179.8-22.525.5000116Y133 N137 R446Y133-P135 HydrophobicContact CD1-CG 3.91Å; Y133-P135 HydrophobicContact CE1-CB 3.85Å; Y133-P135 HydrophobicContact CE1-CG 3.61Å; P135-N137 VanDerWaalsContact C-N 3.34Å; P135-R446 VanDerWaalsContact CB-CZ 3.44Å
136R57.4Low73.6Confident54 Ų5456.5 Ų56.520%0.20431%0.312CS..THydrogen-bonded Turntrans-71.5-29.5177.8-66.2176.7172.8-174-14.8113E134 E238E134-R136 HydrophobicContact CG-CB 4.19Å; E134-R136 PolarHBondContact O-N 3.43Å; E134-R136 VanDerWaalsContact O-N 3.12Å; E134-R136 PolarHBondContact OE1-N 3.38Å; R136-E238 WeakPolarHBondContact CD-OE1 3.42Å; R136-E238 IonicContact CZ-OE1 3.5Å; R136-E238 IonicContact CZ-OE2 3.6Å; R136-E238 IonicContact NE-OE1 3.45Å; R136-E238 IonicContact NH1-OE1 2.74Å; R136-E238 PolarHBondContact NH1-OE1 3.06Å; R136-E238 IonicContact NH1-OE2 3.03Å; R136-E238 PolarHBondContact NH1-OE2 2.99Å
137N66Low74.1Confident87 Ų8752.9 Ų52.947%0.46529%0.293SS..THydrogen-bonded Turntrans-90.3-12.2-177.8-65.6-20.6000113.2E134 P135 T237E134-N137 HydrophobicContact CB-CB 4.41Å; E134-N137 HydrophobicContact CG-CB 4.48Å; E134-N137 PolarHBondContact O-N 3.05Å; E134-N137 VanDerWaalsContact O-N 3.07Å; P135-N137 VanDerWaalsContact C-N 3.34Å; N137-T237 PolarHBondContact ND2-OG1 2.95Å; N137-T237 PolarHBondContact OD1-OG1 3.14Å
138V72.2Confident74.3Confident40 Ų4052.9 Ų52.924%0.24230%0.295CS..SBendtrans-115.1127.6-174.7-1760000110.2Y133 E134 A140 L143 Y146Y133-V138 HydrophobicContact CD2-CB 4.46Å; Y133-V138 HydrophobicContact CD2-CG2 4Å; Y133-V138 HydrophobicContact CE2-CB 3.58Å; Y133-V138 HydrophobicContact CE2-CG1 3.64Å; Y133-V138 HydrophobicContact CE2-CG2 3.59Å; E134-V138 PolarHBondContact O-N 3.43Å; V138-A140 PolarHBondContact O-N 2.83Å; V138-L143 HydrophobicContact CG1-CD2 4.4Å; V138-Y146 HydrophobicContact CG1-CD2 3.81Å; V138-Y146 HydrophobicContact CG1-CE2 3.43Å; V138-Y146 VanDerWaalsContact CG1-CE2 3.43Å
139N72.1Confident74.7Confident65 Ų6552.6 Ų52.635%0.34829%0.293SS..  trans-63.898.6171.5-174.9-16.7000110.1S141 R142N139-S141 PolarHBondContact O-N 3.39Å; N139-S141 VanDerWaalsContact O-N 3.09Å; N139-S141 WeakPolarHBondContact OD1-CB 3.22Å; N139-S141 PolarHBondContact OD1-N 2.85Å; N139-S141 VanDerWaalsContact OD1-N 3.07Å; N139-S141 PolarHBondContact OD1-OG 2.89Å; N139-R142 HydrophobicContact CB-CB 4.4Å; N139-R142 HydrophobicContact CB-CG 4.4Å; N139-R142 PolarHBondContact O-N 2.81Å
140A72.9Confident75.4Confident37 Ų3754.2 Ų54.231%0.30629%0.291SS..G310 helixtrans-56.8-28.3-177.400000113.2V138 R142 L143V138-A140 PolarHBondContact O-N 2.83Å; A140-R142 PolarHBondContact O-N 3.39Å; A140-L143 HydrophobicContact CB-CD1 4.38Å; A140-L143 WeakPolarHBondContact O-CB 3.43Å; A140-L143 WeakPolarHBondContact O-CG 3.47Å; A140-L143 PolarHBondContact O-N 3.29Å
141S72.3Confident76.1Confident86 Ų8651.7 Ų51.760%0.60128%0.279SS*.G310 helixtrans-69.1-22.5177.273.80000113.2N139N139-S141 PolarHBondContact O-N 3.39Å; N139-S141 VanDerWaalsContact O-N 3.09Å; N139-S141 WeakPolarHBondContact OD1-CB 3.22Å; N139-S141 PolarHBondContact OD1-N 2.85Å; N139-S141 VanDerWaalsContact OD1-N 3.07Å; N139-S141 PolarHBondContact OD1-OG 2.89Å
142R80.9Confident76.8Confident128 Ų12851.4 Ų51.448%0.48327%0.273SS..G310 helixtrans-95.20.8179-68.3-170.366.6133.31.4113.8N139 A140 S144 V145 Y146N139-R142 HydrophobicContact CB-CB 4.4Å; N139-R142 HydrophobicContact CB-CG 4.4Å; N139-R142 PolarHBondContact O-N 2.81Å; A140-R142 PolarHBondContact O-N 3.39Å; R142-S144 PolarHBondContact O-N 3.35Å; R142-S144 VanDerWaalsContact O-N 3.12Å; R142-V145 WeakPolarHBondContact O-CA 3.29Å; R142-V145 WeakPolarHBondContact O-CB 3.38Å; R142-V145 PolarHBondContact O-N 3.1Å; R142-Y146 HydrophobicContact CB-CD2 4.33Å; R142-Y146 HydrophobicContact CB-CE1 3.93Å; R142-Y146 HydrophobicContact CB-CE2 3.61Å; R142-Y146 WeakPolarHBondContact CB-OH 3.29Å; R142-Y146 PolarHBondContact O-N 3Å
143L81.5Confident77.6Confident0 Ų050.7 Ų50.70%027%0.266CS..Hα-helixtrans-51.4-39.6178.7-82.4172.3000113.4V120 E124 L127 Y133 V138 A140 V145 Y146 L147V120-L143 HydrophobicContact CG1-CD1 3.53Å; E124-L143 HydrophobicContact CG-CD1 4.03Å; L127-L143 HydrophobicContact CD1-CD2 3.5Å; L127-L143 VanDerWaalsContact CD1-CD2 3.5Å; Y133-L143 HydrophobicContact CE2-CD2 3.69Å; V138-L143 HydrophobicContact CG1-CD2 4.4Å; A140-L143 HydrophobicContact CB-CD1 4.38Å; A140-L143 WeakPolarHBondContact O-CB 3.43Å; A140-L143 WeakPolarHBondContact O-CG 3.47Å; A140-L143 PolarHBondContact O-N 3.29Å; L143-V145 PolarHBondContact O-N 2.92Å; L143-Y146 HydrophobicContact CD2-CD2 4.31Å; L143-Y146 PolarHBondContact O-N 2.88Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 VanDerWaalsContact O-CG 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.9Å
144S80.4Confident78.5Confident17 Ų1750.9 Ų50.912%0.11927%0.269CS..Hα-helixtrans-63.5-27.2177.265.60000114.1R142 S148R142-S144 PolarHBondContact O-N 3.35Å; R142-S144 VanDerWaalsContact O-N 3.12Å; S144-S148 PolarHBondContact O-N 3.33Å
145V83Confident79.6Confident60 Ų6048.2 Ų48.236%0.36426%0.257SS..Hα-helixtrans-79.9-45.5173.9-179.10000109.7R142 L143 L147 S148 H149R142-V145 WeakPolarHBondContact O-CA 3.29Å; R142-V145 WeakPolarHBondContact O-CB 3.38Å; R142-V145 PolarHBondContact O-N 3.1Å; L143-V145 PolarHBondContact O-N 2.92Å; V145-L147 VanDerWaalsContact C-N 3.28Å; V145-L147 PolarHBondContact O-N 3.44Å; V145-S148 PolarHBondContact O-N 3.35Å; V145-S148 VanDerWaalsContact O-N 3.17Å; V145-S148 PolarHBondContact O-OG 3.2Å; V145-H149 PolarHBondContact O-CD2 3.01Å
146Y85.5Confident80.9Confident88 Ų8847.2 Ų47.235%0.34525%0.251SS..Hα-helixtrans-58.9-43.6178.5-53.8-35000111.5V138 R142 L143 S148 H149 Y150V138-Y146 HydrophobicContact CG1-CD2 3.81Å; V138-Y146 HydrophobicContact CG1-CE2 3.43Å; V138-Y146 VanDerWaalsContact CG1-CE2 3.43Å; R142-Y146 HydrophobicContact CB-CD2 4.33Å; R142-Y146 HydrophobicContact CB-CE1 3.93Å; R142-Y146 HydrophobicContact CB-CE2 3.61Å; R142-Y146 WeakPolarHBondContact CB-OH 3.29Å; R142-Y146 PolarHBondContact O-N 3Å; L143-Y146 HydrophobicContact CD2-CD2 4.31Å; L143-Y146 PolarHBondContact O-N 2.88Å; Y146-S148 VanDerWaalsContact C-N 3.32Å; Y146-S148 PolarHBondContact O-N 3.46Å; Y146-H149 CarbonylContact O-C 3.57Å; Y146-H149 PolarHBondContact O-N 2.77Å; Y146-H149 VanDerWaalsContact O-N 3.14Å; Y146-Y150 WeakPolarHBondContact O-CB 3.3Å; Y146-Y150 PolarHBondContact O-N 3.03Å
147L83.2Confident82.5Confident19 Ų1945 Ų4510%0.09924%0.243CC..THydrogen-bonded Turntrans-76.5-13.3-179-67.6170.2000114.2N103 A111 C115 C123 L127 L143 V145 H149 Y150N103-L147 PolarHBondContact ND2-O 3.26Å; A111-L147 HydrophobicContact CB-CB 3.52Å; C115-L147 HydrophobicContact CB-CD1 3.66Å; C115-L147 WeakPolarHBondContact SG-CD1 3.45Å; C123-L147 HydrophobicContact CB-CD1 3.8Å; L127-L147 HydrophobicContact CD1-CD1 4.41Å; L127-L147 HydrophobicContact CD1-CD2 4.14Å; L127-L147 HydrophobicContact CD1-CG 4.47Å; L127-L147 HydrophobicContact CD2-CD2 3.68Å; L127-L147 HydrophobicContact CG-CD2 4.1Å; L143-L147 WeakPolarHBondContact O-CB 3.36Å; L143-L147 VanDerWaalsContact O-CG 3.32Å; L143-L147 WeakPolarHBondContact O-CG 3.42Å; L143-L147 PolarHBondContact O-N 2.9Å; V145-L147 VanDerWaalsContact C-N 3.28Å; V145-L147 PolarHBondContact O-N 3.44Å; L147-H149 PolarHBondContact O-N 3.3Å; L147-Y150 CarbonylContact C-O 3.43Å; L147-Y150 WeakPolarHBondContact CA-O 3.38Å; L147-Y150 HydrophobicContact CD2-CD1 4.26Å
148S82.5Confident83.7Confident21 Ų2141.2 Ų41.215%0.14722%0.223CC..THydrogen-bonded Turntrans-77.5-9.4168.261.40000113.3N103 S144 V145 Y146N103-S148 PolarHBondContact ND2-O 3.47Å; N103-S148 PolarHBondContact OD1-O 3.44Å; S144-S148 PolarHBondContact O-N 3.33Å; V145-S148 PolarHBondContact O-N 3.35Å; V145-S148 VanDerWaalsContact O-N 3.17Å; V145-S148 PolarHBondContact O-OG 3.2Å; Y146-S148 VanDerWaalsContact C-N 3.32Å; Y146-S148 PolarHBondContact O-N 3.46Å
149H85.4Confident84.5Confident91 Ų9141 Ų4142%0.42122%0.22SC..THydrogen-bonded Turntrans-120.5-12.4176.8-57.2-71.2000112.8Y18 N103 V145 Y146 L147Y18-H149 PolarHBondContact OH-ND1 2.97Å; N103-H149 VanDerWaalsContact ND2-C 3.31Å; V145-H149 PolarHBondContact O-CD2 3.01Å; Y146-H149 CarbonylContact O-C 3.57Å; Y146-H149 PolarHBondContact O-N 2.77Å; Y146-H149 VanDerWaalsContact O-N 3.14Å; L147-H149 PolarHBondContact O-N 3.3Å
150Y83.3Confident85.3Confident98 Ų9838 Ų3838%0.38420%0.203SC..SBendtrans-128.6137.2179.9178.2-88.3000112.3N103 L127 L130 Y146 L147N103-Y150 PolarHBondContact ND2-N 3.26Å; L127-Y150 HydrophobicContact CD2-CD1 3.79Å; L127-Y150 HydrophobicContact CD2-CE1 3.65Å; L130-Y150 HydrophobicContact CD1-CE1 4.34Å; Y146-Y150 WeakPolarHBondContact O-CB 3.3Å; Y146-Y150 PolarHBondContact O-N 3.03Å; L147-Y150 CarbonylContact C-O 3.43Å; L147-Y150 WeakPolarHBondContact CA-O 3.38Å; L147-Y150 HydrophobicContact CD2-CD1 4.26Å
151P85.6Confident86.2Confident27 Ų2736.2 Ų36.218%0.17519%0.189CC..SBendcis-67161.8-10.530-35.7000111.5L101 N103L101-P151 HydrophobicContact CB-CB 3.66Å; L101-P151 HydrophobicContact CB-CG 3.75Å; L101-P151 HydrophobicContact CD1-CB 4.41Å; L101-P151 WeakPolarHBondContact O-CB 3.45Å; L101-P151 WeakPolarHBondContact O-CG 3.43Å; N103-P151 WeakPolarHBondContact CB-O 3.37Å; N103-P151 PolarHBondContact ND2-O 2.79Å
152A88.1Confident87Confident30 Ų3034.5 Ų34.525%0.24817%0.171CC..  trans-107.18-170.300000114.6N16 I17N16-A152 CarbonylContact C-O 3.57Å; N16-A152 VanDerWaalsContact CA-O 3.22Å; N16-A152 WeakPolarHBondContact CA-O 3.37Å; N16-A152 HydrophobicContact CB-CB 4.29Å; I17-A152 HydrophobicContact CG1-CB 4.42Å; I17-A152 WeakPolarHBondContact CG2-O 3.33Å; I17-A152 PolarHBondContact N-O 2.8Å
153G89.3Confident87.4Confident10 Ų1028.4 Ų28.410%0.10315%0.148CC..  trans81.2143.2-173.700000113.5E99 I100 L101E99-G153 WeakPolarHBondContact OE1-CA 3.28Å; I100-G153 WeakPolarHBondContact O-CA 3.13Å; L101-G153 WeakPolarHBondContact O-CA 3.4Å; L101-G153 PolarHBondContact O-N 2.91Å
154T92.2Very high87.8Confident27 Ų2729.1 Ų29.117%0.16615%0.151CC..EExtended strand (participates in β ladder)trans-160.8174170.8-163.40000110.3E99 I100 N158E99-T154 WeakPolarHBondContact CA-O 3.24Å; I100-T154 HydrophobicContact CG2-CG2 3.82Å; I100-T154 PolarHBondContact N-O 3.12Å; I100-T154 PolarHBondContact O-N 3.36Å; T154-N158 HydrophobicContact CG2-CB 4.29Å; T154-N158 PolarHBondContact OG1-ND2 3.41Å
155S93.4Very high88.3Confident0 Ų028.8 Ų28.80%015%0.148CC..EExtended strand (participates in β ladder)trans-69.9143.2172.8173.50000112.1W33 F35 L157 N158W33-S155 VanDerWaalsContact O-CB 3.27Å; W33-S155 WeakPolarHBondContact O-CB 3.29Å; W33-S155 PolarHBondContact O-OG 3.36Å; F35-S155 VanDerWaalsContact O-CB 3.25Å; F35-S155 WeakPolarHBondContact O-CB 3.41Å; F35-S155 PolarHBondContact O-OG 3.37Å; S155-L157 PolarHBondContact O-N 2.91Å; S155-L157 WeakPolarHBondContact OG-CB 3.48Å; S155-L157 PolarHBondContact OG-N 2.9Å; S155-N158 WeakPolarHBondContact O-CB 3Å; S155-N158 PolarHBondContact O-N 2.81Å
156T91.1Very high88.7Confident7 Ų726 Ų264%0.04313%0.131CC..Hα-helixtrans-56.3-27.216745.90000113.3L93 S96 N98 I100 N158 I159 A160L93-T156 HydrophobicContact CD2-CG2 3.95Å; L93-T156 PolarHBondContact O-OG1 2.49Å; S96-T156 VanDerWaalsContact OG-CB 3.22Å; S96-T156 WeakPolarHBondContact OG-CB 3.47Å; S96-T156 WeakPolarHBondContact OG-CG2 3.3Å; S96-T156 PolarHBondContact OG-OG1 3.01Å; N98-T156 PolarHBondContact N-OG1 3.49Å; N98-T156 WeakPolarHBondContact O-CG2 3.39Å; N98-T156 PolarHBondContact O-N 2.04Å; N98-T156 PolarHBondContact O-OG1 3.35Å; I100-T156 HydrophobicContact CB-CG2 3.82Å; I100-T156 HydrophobicContact CD1-CG2 4.24Å; I100-T156 HydrophobicContact CG2-CG2 4.24Å; T156-N158 VanDerWaalsContact C-N 3.3Å; T156-N158 PolarHBondContact O-N 3.24Å; T156-I159 PolarHBondContact O-N 3.36Å; T156-A160 PolarHBondContact O-N 2.75Å; T156-A160 VanDerWaalsContact O-N 3.1Å
157L91.5Very high88.8Confident7 Ų724.9 Ų24.94%0.03713%0.133CC..Hα-helixtrans-65.4-31.8175.3-60.3-175.5000112.5F35 T36 K94 S155 I159 A160 H161 F174F35-L157 WeakPolarHBondContact O-CB 3.37Å; T36-L157 HydrophobicContact CG2-CB 3.82Å; T36-L157 HydrophobicContact CG2-CD1 4.49Å; K94-L157 HydrophobicContact CG-CD2 4.36Å; S155-L157 PolarHBondContact O-N 2.91Å; S155-L157 WeakPolarHBondContact OG-CB 3.48Å; S155-L157 PolarHBondContact OG-N 2.9Å; L157-I159 VanDerWaalsContact C-N 3.29Å; L157-I159 PolarHBondContact O-N 2.81Å; L157-A160 PolarHBondContact O-N 3.17Å; L157-H161 WeakPolarHBondContact O-CB 3.42Å; L157-H161 PolarHBondContact O-N 3.2Å; L157-F174 HydrophobicContact CD2-CE1 4.46Å; L157-F174 HydrophobicContact CD2-CZ 4.09Å
158N91.6Very high89.2Confident8 Ų825.6 Ų25.64%0.04314%0.14CC..Hα-helixtrans-62-39.3173.4-81.3-37.3000111.9T36 F37 M40 T154 S155 T156 H161 F162T36-N158 WeakPolarHBondContact CA-OD1 3.31Å; F37-N158 PolarHBondContact N-OD1 2.99Å; M40-N158 VanDerWaalsContact CE-ND2 3.27Å; M40-N158 WeakPolarHBondContact CE-ND2 3.43Å; T154-N158 HydrophobicContact CG2-CB 4.29Å; T154-N158 PolarHBondContact OG1-ND2 3.41Å; S155-N158 WeakPolarHBondContact O-CB 3Å; S155-N158 PolarHBondContact O-N 2.81Å; T156-N158 VanDerWaalsContact C-N 3.3Å; T156-N158 PolarHBondContact O-N 3.24Å; N158-H161 PolarHBondContact O-N 2.65Å; N158-F162 VanDerWaalsContact O-CD2 3.29Å; N158-F162 WeakPolarHBondContact O-CD2 3.46Å; N158-F162 PolarHBondContact O-N 3.22Å
159I88Confident89.6Confident35 Ų3526.6 Ų26.618%0.17914%0.144CC..Hα-helixtrans-68.8-39.8176.8-55.5-57.3000110.8L93 I100 T156 L157 H161 F162 G163L93-I159 HydrophobicContact CD1-CB 3.97Å; L93-I159 HydrophobicContact CD1-CG2 3.64Å; I100-I159 HydrophobicContact CD1-CG1 4.29Å; I100-I159 HydrophobicContact CG2-CD1 4.46Å; I100-I159 HydrophobicContact CG2-CG1 3.69Å; T156-I159 PolarHBondContact O-N 3.36Å; L157-I159 VanDerWaalsContact C-N 3.29Å; L157-I159 PolarHBondContact O-N 2.81Å; I159-H161 VanDerWaalsContact C-N 3.3Å; I159-H161 PolarHBondContact O-N 3.4Å; I159-F162 WeakPolarHBondContact O-CB 3.32Å; I159-F162 PolarHBondContact O-N 3.07Å; I159-G163 PolarHBondContact O-N 2.95Å
160A89.4Confident89.9Confident1 Ų128.2 Ų28.21%0.00815%0.146CC..Hα-helixtrans-61.6-40.4173.600000111.7N90 L93 K94 T156 L157 G163 Q164 F174N90-A160 HydrophobicContact CB-CB 4.37Å; N90-A160 PolarHBondContact ND2-O 2.87Å; N90-A160 PolarHBondContact OD1-O 2.83Å; L93-A160 HydrophobicContact CB-CB 3.98Å; L93-A160 HydrophobicContact CD1-CB 4.41Å; K94-A160 HydrophobicContact CG-CB 4.4Å; T156-A160 PolarHBondContact O-N 2.75Å; T156-A160 VanDerWaalsContact O-N 3.1Å; L157-A160 PolarHBondContact O-N 3.17Å; A160-G163 PolarHBondContact O-N 3.22Å; A160-Q164 PolarHBondContact O-N 3.01Å; A160-F174 HydrophobicContact CB-CE2 3.93Å; A160-F174 HydrophobicContact CB-CZ 4.22Å
161H91.6Very high90.3Very high0 Ų026.2 Ų26.20%014%0.141CC..Hα-helixtrans-66.2-42.8177.4-157.7168.7000111.1T36 F37 D38 L157 N158 I159 G163 Q164 L165 Q172 F174T36-H161 WeakPolarHBondContact CB-ND1 3.22Å; F37-H161 HydrophobicContact CD1-CB 4.28Å; F37-H161 AromaticContact CD1-ND1 3.63Å; F37-H161 HydrophobicContact CE1-CB 3.69Å; F37-H161 AromaticContact CE1-CD2 3.74Å; F37-H161 AromaticContact CE1-CE1 3.57Å; F37-H161 AromaticContact CE1-CG 3.24Å; F37-H161 AromaticContact CE1-ND1 3.16Å; F37-H161 WeakPolarHBondContact CE1-ND1 3.45Å; F37-H161 AromaticContact CE1-NE2 3.91Å; F37-H161 AromaticContact CE2-CE1 3.31Å; F37-H161 WeakPolarHBondContact CE2-CE1 3.48Å; F37-H161 AromaticContact CE2-ND1 3.71Å; F37-H161 AromaticContact CE2-NE2 3.83Å; F37-H161 HydrophobicContact CZ-CB 4.36Å; F37-H161 AromaticContact CZ-CD2 3.5Å; F37-H161 AromaticContact CZ-CE1 3.03Å; F37-H161 WeakPolarHBondContact CZ-CE1 3.32Å; F37-H161 AromaticContact CZ-CG 3.44Å; F37-H161 VanDerWaalsContact CZ-CG 3.44Å; F37-H161 AromaticContact CZ-ND1 3.19Å; F37-H161 WeakPolarHBondContact CZ-ND1 3.39Å; F37-H161 AromaticContact CZ-NE2 3.24Å; F37-H161 WeakPolarHBondContact CZ-NE2 3.2Å; D38-H161 IonicContact OD1-CE1 3.98Å; D38-H161 IonicContact OD2-CE1 2.66Å; D38-H161 PolarHBondContact OD2-CE1 3.11Å; D38-H161 IonicContact OD2-ND1 2.67Å; L157-H161 WeakPolarHBondContact O-CB 3.42Å; L157-H161 PolarHBondContact O-N 3.2Å; N158-H161 PolarHBondContact O-N 2.65Å; I159-H161 VanDerWaalsContact C-N 3.3Å; I159-H161 PolarHBondContact O-N 3.4Å; H161-G163 VanDerWaalsContact C-N 3.3Å; H161-G163 PolarHBondContact O-N 3.13Å; H161-Q164 PolarHBondContact CD2-OE1 3.31Å; H161-Q164 VanDerWaalsContact CD2-OE1 3.29Å; H161-Q164 WeakPolarHBondContact O-CA 3.08Å; H161-Q164 VanDerWaalsContact O-CB 3.3Å; H161-Q164 WeakPolarHBondContact O-CB 3.43Å; H161-Q164 PolarHBondContact O-N 3.23Å; H161-Q164 VanDerWaalsContact O-N 3.1Å; H161-L165 WeakPolarHBondContact O-CG 3.05Å; H161-L165 PolarHBondContact O-N 3.26Å; H161-Q172 PolarHBondContact NE2-O 3.42Å; H161-F174 HydrophobicContact CB-CD2 3.58Å; H161-F174 HydrophobicContact CB-CE2 3.99Å; H161-F174 PolarHBondContact CE1-N 2.91Å; H161-F174 VanDerWaalsContact CE1-N 3.26Å; H161-F174 AromaticContact CG-CD2 3.59Å; H161-F174 AromaticContact ND1-CD2 3.92Å; H161-F174 PolarHBondContact NE2-N 3.09Å
162F89.1Confident90.7Very high50 Ų5025.6 Ų25.622%0.21914%0.136CC..Hα-helixtrans-55.1-45.2169.7-95-72.7000112.2V69 V72 L79 N158 I159 Q164 L165 I166 L212V69-F162 HydrophobicContact CG1-CE1 3.57Å; V69-F162 HydrophobicContact CG1-CZ 4Å; V72-F162 HydrophobicContact CG1-CE1 4.46Å; L79-F162 HydrophobicContact CD1-CB 4.4Å; N158-F162 VanDerWaalsContact O-CD2 3.29Å; N158-F162 WeakPolarHBondContact O-CD2 3.46Å; N158-F162 PolarHBondContact O-N 3.22Å; I159-F162 WeakPolarHBondContact O-CB 3.32Å; I159-F162 PolarHBondContact O-N 3.07Å; F162-Q164 VanDerWaalsContact C-N 3.33Å; F162-Q164 PolarHBondContact O-N 2.63Å; F162-L165 PolarHBondContact O-N 2.82Å; F162-I166 VanDerWaalsContact O-CG1 3.25Å; F162-I166 WeakPolarHBondContact O-CG1 3.25Å; F162-I166 PolarHBondContact O-N 3Å; F162-L212 HydrophobicContact CE1-CD1 4.48Å
163G89.3Confident91.1Very high0 Ų026.8 Ų26.80%014%0.135CC..Hα-helixtrans-60.3-40.4175.100000113.1I159 A160 H161 T167I159-G163 PolarHBondContact O-N 2.95Å; A160-G163 PolarHBondContact O-N 3.22Å; H161-G163 VanDerWaalsContact C-N 3.3Å; H161-G163 PolarHBondContact O-N 3.13Å; G163-T167 WeakPolarHBondContact O-CB 3.16Å; G163-T167 PolarHBondContact O-N 3.48Å; G163-T167 VanDerWaalsContact O-N 3.07Å; G163-T167 PolarHBondContact O-OG1 3.27Å
164Q90.8Very high91.3Very high16 Ų1626.5 Ų26.58%0.07513%0.131CC..Hα-helixtrans-60.8-47172.3178.4-163.1-16.700111.5A160 H161 F162 T167 S168 K173 D175A160-Q164 PolarHBondContact O-N 3.01Å; H161-Q164 PolarHBondContact CD2-OE1 3.31Å; H161-Q164 VanDerWaalsContact CD2-OE1 3.29Å; H161-Q164 WeakPolarHBondContact O-CA 3.08Å; H161-Q164 VanDerWaalsContact O-CB 3.3Å; H161-Q164 WeakPolarHBondContact O-CB 3.43Å; H161-Q164 PolarHBondContact O-N 3.23Å; H161-Q164 VanDerWaalsContact O-N 3.1Å; F162-Q164 VanDerWaalsContact C-N 3.33Å; F162-Q164 PolarHBondContact O-N 2.63Å; Q164-T167 PolarHBondContact O-N 3.06Å; Q164-S168 WeakPolarHBondContact O-CB 3.29Å; Q164-S168 PolarHBondContact O-N 3.49Å; Q164-S168 PolarHBondContact O-OG 2.93Å; Q164-K173 PolarHBondContact NE2-O 3.07Å; Q164-D175 HydrophobicContact CG-CB 4.25Å
165L91.2Very high91.3Very high9 Ų927.7 Ų27.75%0.04714%0.136CC..Hα-helixtrans-65.8-39.4179.1-60.7-172.6000112.5F37 V72 H161 F162 T167 N169 R170 Q172F37-L165 HydrophobicContact CE1-CD1 4.05Å; F37-L165 HydrophobicContact CZ-CD1 3.63Å; F37-L165 HydrophobicContact CZ-CD2 4.42Å; F37-L165 HydrophobicContact CZ-CG 4.22Å; V72-L165 HydrophobicContact CG2-CB 3.48Å; V72-L165 VanDerWaalsContact CG2-CB 3.48Å; V72-L165 HydrophobicContact CG2-CD1 4.34Å; H161-L165 WeakPolarHBondContact O-CG 3.05Å; H161-L165 PolarHBondContact O-N 3.26Å; F162-L165 PolarHBondContact O-N 2.82Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 2.85Å; L165-N169 VanDerWaalsContact O-CA 3.27Å; L165-N169 WeakPolarHBondContact O-CA 3.09Å; L165-N169 PolarHBondContact O-N 3.43Å; L165-R170 WeakPolarHBondContact CD2-O 3.31Å; L165-Q172 HydrophobicContact CD2-CG 4.16Å
166I89.8Confident91.1Very high3 Ų330.5 Ų30.52%0.01515%0.148CC..Hα-helixtrans-63.1-37176-67.5164.8000110.5V72 T75 L79 F86 F162V72-I166 HydrophobicContact CB-CG1 4.21Å; V72-I166 HydrophobicContact CG2-CG1 3.76Å; T75-I166 HydrophobicContact CG2-CD1 3.98Å; T75-I166 HydrophobicContact CG2-CG1 3.94Å; T75-I166 HydrophobicContact CG2-CG2 4.46Å; L79-I166 HydrophobicContact CB-CD1 3.59Å; L79-I166 HydrophobicContact CD1-CD1 4.3Å; F86-I166 HydrophobicContact CE2-CB 3.95Å; F86-I166 HydrophobicContact CE2-CD1 4.28Å; F86-I166 HydrophobicContact CE2-CG2 3.78Å; F86-I166 HydrophobicContact CZ-CB 4.48Å; F86-I166 HydrophobicContact CZ-CD1 3.95Å; F86-I166 HydrophobicContact CZ-CG2 4.46Å; F162-I166 VanDerWaalsContact O-CG1 3.25Å; F162-I166 WeakPolarHBondContact O-CG1 3.25Å; F162-I166 PolarHBondContact O-N 3Å
167T89.2Confident91.1Very high64 Ų6431.1 Ų31.139%0.39316%0.155SC..Hα-helixtrans-76.7-47.7-178.2-57.40000112.1R83 F86 G163 Q164 L165R83-T167 PolarHBondContact NH2-O 3.42Å; F86-T167 WeakPolarHBondContact CD2-OG1 3.28Å; G163-T167 WeakPolarHBondContact O-CB 3.16Å; G163-T167 PolarHBondContact O-N 3.48Å; G163-T167 VanDerWaalsContact O-N 3.07Å; G163-T167 PolarHBondContact O-OG1 3.27Å; Q164-T167 PolarHBondContact O-N 3.06Å; L165-T167 VanDerWaalsContact C-N 3.26Å; L165-T167 PolarHBondContact O-N 2.85Å
168S90.8Very high91.1Very high34 Ų3434.8 Ų34.824%0.23818%0.179CC..Hα-helixtrans-79.1-30.1-175.560.80000113Q164 R170 Q172Q164-S168 WeakPolarHBondContact O-CB 3.29Å; Q164-S168 PolarHBondContact O-N 3.49Å; Q164-S168 PolarHBondContact O-OG 2.93Å; S168-R170 PolarHBondContact O-N 3.03Å; S168-R170 PolarHBondContact OG-N 3.05Å; S168-Q172 PolarHBondContact OG-NE2 2.61Å
169N90.9Very high91.2Very high41 Ų4142.1 Ų42.122%0.21921%0.213CC..  trans52.237.8-168.7-164.335.5000113.3G73 L165 R220G73-N169 VanDerWaalsContact CA-OD1 3.29Å; G73-N169 WeakPolarHBondContact CA-OD1 3.29Å; G73-N169 PolarHBondContact N-OD1 2.83Å; G73-N169 VanDerWaalsContact N-OD1 3.16Å; L165-N169 VanDerWaalsContact O-CA 3.27Å; L165-N169 WeakPolarHBondContact O-CA 3.09Å; L165-N169 PolarHBondContact O-N 3.43Å; N169-R220 PolarHBondContact O-NH1 3.4Å
170R92.1Very high91.4Very high126 Ų12641.2 Ų41.248%0.47521%0.212SC..SBendtrans-124.6143.9177.1-58.7-179.5-149.8-166.76.6109.1L165 S168 Q172L165-R170 WeakPolarHBondContact CD2-O 3.31Å; S168-R170 PolarHBondContact O-N 3.03Å; S168-R170 PolarHBondContact OG-N 3.05Å; R170-Q172 HydrophobicContact CB-CB 4.47Å; R170-Q172 HydrophobicContact CB-CG 4.27Å; R170-Q172 PolarHBondContact O-N 3.38Å
171M92.4Very high91.7Very high56 Ų5641.2 Ų41.228%0.27621%0.212SC..  trans-83.3104.7169.3-167.7-172.9172.500106.8A70 Y71 Q192 Y193 P195A70-M171 HydrophobicContact CB-SD 4.34Å; Y71-M171 HydrophobicContact CE1-CB 4Å; M171-Q192 WeakPolarHBondContact O-CA 3.45Å; M171-Y193 HydrophobicContact CE-CD2 4.32Å; M171-Y193 HydrophobicContact CE-CG 4.15Å; M171-Y193 HydrophobicContact CG-CD2 4.13Å; M171-Y193 HydrophobicContact CG-CG 4.4Å; M171-Y193 PolarHBondContact O-N 2.86Å; M171-P195 HydrophobicContact SD-CB 4.37Å; M171-P195 HydrophobicContact SD-CG 4.12Å
172Q93.6Very high91.9Very high14 Ų1444.9 Ų44.97%0.06523%0.231CC..BIsolated β-bridgetrans-150.3157.9-170.264.7-176.220.600111.7H161 L165 S168 R170 P191 Q192H161-Q172 PolarHBondContact NE2-O 3.42Å; L165-Q172 HydrophobicContact CD2-CG 4.16Å; S168-Q172 PolarHBondContact OG-NE2 2.61Å; R170-Q172 HydrophobicContact CB-CB 4.47Å; R170-Q172 HydrophobicContact CB-CG 4.27Å; R170-Q172 PolarHBondContact O-N 3.38Å; Q172-P191 CarbonylContact C-O 3.58Å; Q172-P191 WeakPolarHBondContact CA-O 3.31Å; Q172-P191 WeakPolarHBondContact CB-O 3.5Å; Q172-Q192 HydrophobicContact CB-CG 4.05Å
173K95.4Very high92.2Very high55 Ų5549.2 Ų49.224%0.23926%0.255CS..  trans-62.9164.6174.9-58.5-162.2176.9-1670111.6D38 Q164 D175 Y185 P190 P191 Y193D38-K173 WeakPolarHBondContact OD1-CA 3.44Å; D38-K173 WeakPolarHBondContact OD2-CA 3.25Å; Q164-K173 PolarHBondContact NE2-O 3.07Å; K173-D175 PolarHBondContact O-N 2.88Å; K173-Y185 HydrophobicContact CB-CE1 4.14Å; K173-Y185 HydrophobicContact CB-CE2 4.26Å; K173-Y185 WeakPolarHBondContact CB-OH 3.25Å; K173-Y185 HydrophobicContact CD-CD1 4.08Å; K173-Y185 HydrophobicContact CD-CE1 3.58Å; K173-P190 VanDerWaalsContact O-CB 3.28Å; K173-P190 WeakPolarHBondContact O-CB 3.22Å; K173-P191 HydrophobicContact CD-CB 4.27Å; K173-P191 HydrophobicContact CD-CG 4.07Å; K173-P191 HydrophobicContact CG-CB 4.29Å; K173-P191 HydrophobicContact CG-CG 4.45Å; K173-P191 PolarHBondContact N-O 2.8Å; K173-Y193 HydrophobicContact CG-CE2 3.92Å
174F93.5Very high92.3Very high3 Ų354 Ų541%0.01328%0.278CS..  trans-63.1132.2-178.8-173.3-111.2000110.9T36 D38 K94 L157 A160 H161 Y176 Y185T36-F174 HydrophobicContact CG2-CB 3.65Å; T36-F174 HydrophobicContact CG2-CD1 4Å; T36-F174 HydrophobicContact CG2-CD2 3.67Å; T36-F174 HydrophobicContact CG2-CE2 4.22Å; T36-F174 HydrophobicContact CG2-CG 3.5Å; D38-F174 WeakPolarHBondContact OD2-CB 3.17Å; D38-F174 PolarHBondContact OD2-N 3.02Å; K94-F174 HydrophobicContact CD-CZ 4.18Å; K94-F174 VanDerWaalsContact CE-CZ 3.45Å; K94-F174 HydrophobicContact CG-CE1 4.32Å; K94-F174 HydrophobicContact CG-CZ 3.71Å; L157-F174 HydrophobicContact CD2-CE1 4.46Å; L157-F174 HydrophobicContact CD2-CZ 4.09Å; A160-F174 HydrophobicContact CB-CE2 3.93Å; A160-F174 HydrophobicContact CB-CZ 4.22Å; H161-F174 HydrophobicContact CB-CD2 3.58Å; H161-F174 HydrophobicContact CB-CE2 3.99Å; H161-F174 PolarHBondContact CE1-N 2.91Å; H161-F174 VanDerWaalsContact CE1-N 3.26Å; H161-F174 AromaticContact CG-CD2 3.59Å; H161-F174 AromaticContact ND1-CD2 3.92Å; H161-F174 PolarHBondContact NE2-N 3.09Å; F174-Y176 HydrophobicContact CB-CE2 4.24Å; F174-Y176 AromaticContact CD1-CD1 3.74Å; F174-Y176 HydrophobicContact CD1-CD1 3.74Å; F174-Y176 AromaticContact CD1-CD2 3.99Å; F174-Y176 HydrophobicContact CD1-CD2 3.99Å; F174-Y176 AromaticContact CD1-CE1 3.57Å; F174-Y176 HydrophobicContact CD1-CE1 3.57Å; F174-Y176 AromaticContact CD1-CE2 3.84Å; F174-Y176 HydrophobicContact CD1-CE2 3.84Å; F174-Y176 AromaticContact CD1-CG 3.94Å; F174-Y176 HydrophobicContact CD1-CG 3.94Å; F174-Y176 AromaticContact CD1-CZ 3.63Å; F174-Y176 AromaticContact CE1-CD1 3.89Å; F174-Y176 HydrophobicContact CE1-CD1 3.89Å; F174-Y176 AromaticContact CE1-CE1 3.89Å; F174-Y176 HydrophobicContact CE1-CE1 3.89Å; F174-Y176 HydrophobicContact CE1-CG 4.39Å; F174-Y176 WeakPolarHBondContact O-CD2 3.32Å; F174-Y176 PolarHBondContact O-N 3.44Å; F174-Y185 PolarHBondContact N-OH 3.31Å; F174-Y185 WeakPolarHBondContact O-CE2 3.44Å; F174-Y185 PolarHBondContact O-OH 3.14Å
175D92.7Very high92.5Very high52 Ų5255.3 Ų55.328%0.27828%0.282SS..  trans-85.9108.1177.7-179.48.2000109.8K94 Q164 K173 G177 N181 P190K94-D175 VanDerWaalsContact CE-O 3.24Å; K94-D175 WeakPolarHBondContact CE-O 3.33Å; K94-D175 PolarHBondContact NZ-O 3.44Å; Q164-D175 HydrophobicContact CG-CB 4.25Å; K173-D175 PolarHBondContact O-N 2.88Å; D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 WeakPolarHBondContact OD1-CA 3.5Å; D175-G177 PolarHBondContact OD1-N 2.83Å; D175-N181 PolarHBondContact OD1-ND2 3.14Å; D175-P190 HydrophobicContact CB-CB 4.28Å; D175-P190 HydrophobicContact CB-CG 3.98Å
176Y90.3Very high92.8Very high60 Ų6061.7 Ų61.724%0.23532%0.317CS..  trans-84.10.6175.1-66-85.4000113F174 N181 H184 Y185F174-Y176 HydrophobicContact CB-CE2 4.24Å; F174-Y176 AromaticContact CD1-CD1 3.74Å; F174-Y176 HydrophobicContact CD1-CD1 3.74Å; F174-Y176 AromaticContact CD1-CD2 3.99Å; F174-Y176 HydrophobicContact CD1-CD2 3.99Å; F174-Y176 AromaticContact CD1-CE1 3.57Å; F174-Y176 HydrophobicContact CD1-CE1 3.57Å; F174-Y176 AromaticContact CD1-CE2 3.84Å; F174-Y176 HydrophobicContact CD1-CE2 3.84Å; F174-Y176 AromaticContact CD1-CG 3.94Å; F174-Y176 HydrophobicContact CD1-CG 3.94Å; F174-Y176 AromaticContact CD1-CZ 3.63Å; F174-Y176 AromaticContact CE1-CD1 3.89Å; F174-Y176 HydrophobicContact CE1-CD1 3.89Å; F174-Y176 AromaticContact CE1-CE1 3.89Å; F174-Y176 HydrophobicContact CE1-CE1 3.89Å; F174-Y176 HydrophobicContact CE1-CG 4.39Å; F174-Y176 WeakPolarHBondContact O-CD2 3.32Å; F174-Y176 PolarHBondContact O-N 3.44Å; Y176-N181 PolarHBondContact N-OD1 2.67Å; Y176-H184 AromaticContact CD1-CD2 3.76Å; Y176-H184 AromaticContact CD1-NE2 3.79Å; Y176-H184 HydrophobicContact CD2-CB 3.99Å; Y176-H184 AromaticContact CD2-CD2 3.45Å; Y176-H184 VanDerWaalsContact CD2-CD2 3.45Å; Y176-H184 WeakPolarHBondContact CD2-CD2 2.93Å; Y176-H184 AromaticContact CD2-CG 3.78Å; Y176-H184 AromaticContact CE1-CD2 3.92Å; Y176-H184 AromaticContact CE1-NE2 3.65Å; Y176-H184 HydrophobicContact CE2-CB 4.04Å; Y176-H184 AromaticContact CE2-CD2 3.62Å; Y176-H184 AromaticContact CE2-CG 3.67Å; Y176-H184 AromaticContact CG-CD2 3.52Å; Y176-H184 AromaticContact CZ-CD2 3.86Å; Y176-H184 AromaticContact CZ-CE1 4Å; Y176-H184 AromaticContact CZ-NE2 3.79Å; Y176-Y185 HydrophobicContact CD2-CE2 4.03Å; Y176-Y185 AromaticContact CD2-CZ 3.99Å; Y176-Y185 HydrophobicContact CE2-CE2 4.37Å; Y176-Y185 AromaticContact CE2-CZ 3.86Å; Y176-Y185 VanDerWaalsContact CE2-OH 3.26Å; Y176-Y185 WeakPolarHBondContact CE2-OH 3.39Å
177G89.7Confident93.1Very high19 Ų1965.7 Ų65.720%0.19634%0.335CS..  trans83.8167.4-166.700000111.5D175 E179 G180 N181D175-G177 VanDerWaalsContact C-N 3.28Å; D175-G177 WeakPolarHBondContact OD1-CA 3.5Å; D175-G177 PolarHBondContact OD1-N 2.83Å; G177-E179 PolarHBondContact O-N 3.31Å; G177-G180 PolarHBondContact O-N 3.47Å; G177-G180 VanDerWaalsContact O-N 3.16Å; G177-N181 VanDerWaalsContact O-CB 3.31Å; G177-N181 WeakPolarHBondContact O-CB 3.27Å; G177-N181 PolarHBondContact O-N 3.27Å; G177-N181 PolarHBondContact O-ND2 3.28Å
178P92.1Very high93.4Very high84 Ų8468.7 Ų68.755%0.54535%0.345SS..Hα-helixtrans-54.3-50.6-169.9-28.235.3000114.3N181 L182P178-N181 PolarHBondContact O-N 3.01Å; P178-L182 WeakPolarHBondContact O-CG 3.25Å; P178-L182 PolarHBondContact O-N 3.02Å
179E93.6Very high93.6Very high162 Ų16272.9 Ų72.976%0.75736%0.364SS*.Hα-helixtrans-65.3-43.5178.4-65.8175.8-172.900112.2G177 N181 L182 I183G177-E179 PolarHBondContact O-N 3.31Å; E179-N181 VanDerWaalsContact C-N 3.35Å; E179-N181 PolarHBondContact O-N 3.1Å; E179-L182 PolarHBondContact O-N 3.38Å; E179-I183 WeakPolarHBondContact O-CG1 3.42Å; E179-I183 PolarHBondContact O-N 3.44Å
180G91.3Very high93.8Very high16 Ų1671.5 Ų71.517%0.16536%0.358CS..Hα-helixtrans-65.9-37.8177.900000112.4G177 I183 H184G177-G180 PolarHBondContact O-N 3.47Å; G177-G180 VanDerWaalsContact O-N 3.16Å; G180-I183 PolarHBondContact O-N 2.99Å; G180-H184 WeakPolarHBondContact O-CB 3.37Å; G180-H184 PolarHBondContact O-CD2 3.01Å; G180-H184 PolarHBondContact O-N 3.23Å
181N95.8Very high94Very high1 Ų167 Ų671%0.00534%0.344CS..Hα-helixtrans-68.9-35.4176.5-67.3-23.4000110.9D175 Y176 G177 P178 E179 I183 H184 Y185 N186 Q187 E188D175-N181 PolarHBondContact OD1-ND2 3.14Å; Y176-N181 PolarHBondContact N-OD1 2.67Å; G177-N181 VanDerWaalsContact O-CB 3.31Å; G177-N181 WeakPolarHBondContact O-CB 3.27Å; G177-N181 PolarHBondContact O-N 3.27Å; G177-N181 PolarHBondContact O-ND2 3.28Å; P178-N181 PolarHBondContact O-N 3.01Å; E179-N181 VanDerWaalsContact C-N 3.35Å; E179-N181 PolarHBondContact O-N 3.1Å; N181-I183 VanDerWaalsContact C-N 3.34Å; N181-H184 PolarHBondContact O-N 3.18Å; N181-Y185 HydrophobicContact CB-CD2 4.01Å; N181-Y185 CarbonylContact O-C 3.51Å; N181-Y185 WeakPolarHBondContact O-CA 3.34Å; N181-Y185 WeakPolarHBondContact O-CB 3.48Å; N181-Y185 PolarHBondContact O-N 3.4Å; N181-N186 PolarHBondContact O-N 3Å; N181-Q187 CarbonylContact C-O 3.48Å; N181-Q187 WeakPolarHBondContact CB-O 3.42Å; N181-Q187 VanDerWaalsContact O-O 3.09Å; N181-E188 WeakPolarHBondContact CB-O 3.47Å; N181-E188 PolarHBondContact ND2-O 3.34Å
182L96.8Very high94.1Very high77 Ų7768.4 Ų68.440%0.40335%0.35SS..Hα-helixtrans-62-42.8170.7-74.8167.6000111.4P178 E179 N186 Q187 E188P178-L182 WeakPolarHBondContact O-CG 3.25Å; P178-L182 PolarHBondContact O-N 3.02Å; E179-L182 PolarHBondContact O-N 3.38Å; L182-N186 VanDerWaalsContact O-CA 3.25Å; L182-N186 WeakPolarHBondContact O-CA 3.49Å; L182-N186 PolarHBondContact O-N 3.01Å; L182-Q187 PolarHBondContact N-O 3.28Å; L182-E188 HydrophobicContact CD1-CG 4.25Å; L182-E188 HydrophobicContact CD2-CG 4.29Å; L182-E188 HydrophobicContact CG-CG 4.22Å
183I94.7Very high94.1Very high141 Ų14170.8 Ų70.872%0.72336%0.36SS*.Hα-helixtrans-64.8-43.4176.6-66.7165.4000111.7E179 G180 N181E179-I183 WeakPolarHBondContact O-CG1 3.42Å; E179-I183 PolarHBondContact O-N 3.44Å; G180-I183 PolarHBondContact O-N 2.99Å; N181-I183 VanDerWaalsContact C-N 3.34Å
184H91.9Very high93.9Very high102 Ų10271.9 Ų71.947%0.47237%0.365SS..Hα-helixtrans-87.8-32.1-172.7-77.6-73.3000114.4Y176 G180 N181Y176-H184 AromaticContact CD1-CD2 3.76Å; Y176-H184 AromaticContact CD1-NE2 3.79Å; Y176-H184 HydrophobicContact CD2-CB 3.99Å; Y176-H184 AromaticContact CD2-CD2 3.45Å; Y176-H184 VanDerWaalsContact CD2-CD2 3.45Å; Y176-H184 WeakPolarHBondContact CD2-CD2 2.93Å; Y176-H184 AromaticContact CD2-CG 3.78Å; Y176-H184 AromaticContact CE1-CD2 3.92Å; Y176-H184 AromaticContact CE1-NE2 3.65Å; Y176-H184 HydrophobicContact CE2-CB 4.04Å; Y176-H184 AromaticContact CE2-CD2 3.62Å; Y176-H184 AromaticContact CE2-CG 3.67Å; Y176-H184 AromaticContact CG-CD2 3.52Å; Y176-H184 AromaticContact CZ-CD2 3.86Å; Y176-H184 AromaticContact CZ-CE1 4Å; Y176-H184 AromaticContact CZ-NE2 3.79Å; G180-H184 WeakPolarHBondContact O-CB 3.37Å; G180-H184 PolarHBondContact O-CD2 3.01Å; G180-H184 PolarHBondContact O-N 3.23Å; N181-H184 PolarHBondContact O-N 3.18Å
185Y95Very high93.8Very high43 Ų4372.7 Ų72.717%0.16937%0.371CS..Hα-helixtrans-129.7-4.9-169.3-47.9-46.8000114.1K173 F174 Y176 N181 Q187 P190 P191K173-Y185 HydrophobicContact CB-CE1 4.14Å; K173-Y185 HydrophobicContact CB-CE2 4.26Å; K173-Y185 WeakPolarHBondContact CB-OH 3.25Å; K173-Y185 HydrophobicContact CD-CD1 4.08Å; K173-Y185 HydrophobicContact CD-CE1 3.58Å; F174-Y185 PolarHBondContact N-OH 3.31Å; F174-Y185 WeakPolarHBondContact O-CE2 3.44Å; F174-Y185 PolarHBondContact O-OH 3.14Å; Y176-Y185 HydrophobicContact CD2-CE2 4.03Å; Y176-Y185 AromaticContact CD2-CZ 3.99Å; Y176-Y185 HydrophobicContact CE2-CE2 4.37Å; Y176-Y185 AromaticContact CE2-CZ 3.86Å; Y176-Y185 VanDerWaalsContact CE2-OH 3.26Å; Y176-Y185 WeakPolarHBondContact CE2-OH 3.39Å; N181-Y185 HydrophobicContact CB-CD2 4.01Å; N181-Y185 CarbonylContact O-C 3.51Å; N181-Y185 WeakPolarHBondContact O-CA 3.34Å; N181-Y185 WeakPolarHBondContact O-CB 3.48Å; N181-Y185 PolarHBondContact O-N 3.4Å; Y185-Q187 PolarHBondContact O-N 3.17Å; Y185-P190 HydrophobicContact CE2-CB 4.43Å; Y185-P191 HydrophobicContact CD1-CG 4.15Å; Y185-P191 HydrophobicContact CD2-CG 4.12Å; Y185-P191 VanDerWaalsContact CG-CD 3.49Å; Y185-P191 HydrophobicContact CG-CG 3.79Å
186N97Very high93.6Very high143 Ų14374.3 Ų74.377%0.76538%0.377SS*.SBendtrans5830.8-174.4-163.648.8000113.7N181 L182N181-N186 PolarHBondContact O-N 3Å; L182-N186 VanDerWaalsContact O-CA 3.25Å; L182-N186 WeakPolarHBondContact O-CA 3.49Å; L182-N186 PolarHBondContact O-N 3.01Å
187Q97.1Very high93.8Very high86 Ų8679.9 Ų79.940%0.40240%0.397SS..SBendtrans-155155.6173.455.2173.235.300110.1N181 L182 Y185 D189 P191N181-Q187 CarbonylContact C-O 3.48Å; N181-Q187 WeakPolarHBondContact CB-O 3.42Å; N181-Q187 VanDerWaalsContact O-O 3.09Å; L182-Q187 PolarHBondContact N-O 3.28Å; Y185-Q187 PolarHBondContact O-N 3.17Å; Q187-D189 WeakPolarHBondContact CG-O 3.42Å; Q187-D189 PolarHBondContact NE2-O 2.69Å; Q187-P191 VanDerWaalsContact NE2-CD 3.35Å; Q187-P191 VanDerWaalsContact NE2-CG 3.26Å
188E95Very high93.8Very high127 Ų12781.4 Ų81.459%0.59341%0.405SS*.SBendtrans-73.2-28.9-174.8-65.5-175.9177.300114N181 L182N181-E188 WeakPolarHBondContact CB-O 3.47Å; N181-E188 PolarHBondContact ND2-O 3.34Å; L182-E188 HydrophobicContact CD1-CG 4.25Å; L182-E188 HydrophobicContact CD2-CG 4.29Å; L182-E188 HydrophobicContact CG-CG 4.22Å
189D94.8Very high93.7Very high122 Ų12287.5 Ų87.565%0.65242%0.417SS*.SBendtrans-99.1146.1179.8-75.3-53.9000111.9Q187 P191Q187-D189 WeakPolarHBondContact CG-O 3.42Å; Q187-D189 PolarHBondContact NE2-O 2.69Å; D189-P191 WeakPolarHBondContact O-CD 3.38Å
190P95.3Very high93.6Very high12 Ų1284.3 Ų84.38%0.07841%0.409CS..PPolyproline II helixtrans-63.3128.1173.827.9-36.2000111.2K173 D175 Y185K173-P190 VanDerWaalsContact O-CB 3.28Å; K173-P190 WeakPolarHBondContact O-CB 3.22Å; D175-P190 HydrophobicContact CB-CB 4.28Å; D175-P190 HydrophobicContact CB-CG 3.98Å; Y185-P190 HydrophobicContact CE2-CB 4.43Å
191P96.1Very high93.4Very high31 Ų3186.7 Ų86.720%0.20142%0.421CS..PPolyproline II helixtrans-57.3145176-19.324.7000112.6Q172 K173 Y185 Q187 D189Q172-P191 CarbonylContact C-O 3.58Å; Q172-P191 WeakPolarHBondContact CA-O 3.31Å; Q172-P191 WeakPolarHBondContact CB-O 3.5Å; K173-P191 HydrophobicContact CD-CB 4.27Å; K173-P191 HydrophobicContact CD-CG 4.07Å; K173-P191 HydrophobicContact CG-CB 4.29Å; K173-P191 HydrophobicContact CG-CG 4.45Å; K173-P191 PolarHBondContact N-O 2.8Å; Y185-P191 HydrophobicContact CD1-CG 4.15Å; Y185-P191 HydrophobicContact CD2-CG 4.12Å; Y185-P191 VanDerWaalsContact CG-CD 3.49Å; Y185-P191 HydrophobicContact CG-CG 3.79Å; Q187-P191 VanDerWaalsContact NE2-CD 3.35Å; Q187-P191 VanDerWaalsContact NE2-CG 3.26Å; D189-P191 WeakPolarHBondContact O-CD 3.38Å
192Q94.7Very high93Very high86 Ų8688.5 Ų88.540%0.40243%0.432SS..BIsolated β-bridgetrans-89.7145.8174.5-65.4-172.154.500111.5M171 Q172 H194M171-Q192 WeakPolarHBondContact O-CA 3.45Å; Q172-Q192 HydrophobicContact CB-CG 4.05Å; Q192-H194 PolarHBondContact O-CD2 3.02Å
193Y93.1Very high92.3Very high65 Ų6586 Ų8626%0.25542%0.422SS..PPolyproline II helixtrans-82.6147.2166.2-68.6-75.2000109.9D38 M171 K173 P195D38-Y193 VanDerWaalsContact OD1-CE2 3.24Å; D38-Y193 WeakPolarHBondContact OD1-CE2 3.27Å; D38-Y193 PolarHBondContact OD1-OH 2.91Å; M171-Y193 HydrophobicContact CE-CD2 4.32Å; M171-Y193 HydrophobicContact CE-CG 4.15Å; M171-Y193 HydrophobicContact CG-CD2 4.13Å; M171-Y193 HydrophobicContact CG-CG 4.4Å; M171-Y193 PolarHBondContact O-N 2.86Å; K173-Y193 HydrophobicContact CG-CE2 3.92Å; Y193-P195 VanDerWaalsContact O-CD 3.25Å; Y193-P195 WeakPolarHBondContact O-CD 3.22Å
194H92.8Very high91.9Very high77 Ų7779.6 Ų79.636%0.35639%0.39SS..  trans-118.975.5-175.1-68.1-73.2000109.8Q192 E196 R197Q192-H194 PolarHBondContact O-CD2 3.02Å; H194-E196 VanDerWaalsContact CA-OE2 3.29Å; H194-E196 WeakPolarHBondContact CA-OE2 3.26Å; H194-E196 VanDerWaalsContact CB-OE1 3.3Å; H194-E196 WeakPolarHBondContact CB-OE1 3.21Å; H194-E196 IonicContact CE1-OE1 3.68Å; H194-E196 IonicContact CG-OE1 2.78Å; H194-E196 IonicContact ND1-OE1 2.82Å; H194-E196 PolarHBondContact ND1-OE1 3.46Å; H194-E196 PolarHBondContact O-N 3.49Å; H194-E196 VanDerWaalsContact O-N 3.14Å; H194-R197 HydrophobicContact CB-CB 4.41Å; H194-R197 HydrophobicContact CB-CG 3.82Å; H194-R197 WeakPolarHBondContact O-CB 3.39Å; H194-R197 PolarHBondContact O-N 2.97Å
195P89.4Confident91.5Very high21 Ų2179.6 Ų79.614%0.13639%0.386CS..G310 helixtrans-57.7-25-179.525.7-36000113.2M171 Y193 R197 S198 L221 I224 T225M171-P195 HydrophobicContact SD-CB 4.37Å; M171-P195 HydrophobicContact SD-CG 4.12Å; Y193-P195 VanDerWaalsContact O-CD 3.25Å; Y193-P195 WeakPolarHBondContact O-CD 3.22Å; P195-R197 PolarHBondContact O-N 3.43Å; P195-S198 VanDerWaalsContact O-CB 3.29Å; P195-S198 WeakPolarHBondContact O-CB 3.44Å; P195-S198 PolarHBondContact O-N 3.17Å; P195-L221 HydrophobicContact CB-CD1 4.26Å; P195-L221 HydrophobicContact CG-CD1 4.47Å; P195-I224 HydrophobicContact CG-CD1 3.57Å; P195-I224 HydrophobicContact CG-CG1 4.27Å; P195-T225 HydrophobicContact CB-CG2 4.1Å
196E90.5Very high91Very high85 Ų8578.7 Ų78.740%0.39738%0.382SS..G310 helixtrans-61-19.8172.668.2-81.7-172.300114.2H194 S198 I224H194-E196 VanDerWaalsContact CA-OE2 3.29Å; H194-E196 WeakPolarHBondContact CA-OE2 3.26Å; H194-E196 VanDerWaalsContact CB-OE1 3.3Å; H194-E196 WeakPolarHBondContact CB-OE1 3.21Å; H194-E196 IonicContact CE1-OE1 3.68Å; H194-E196 IonicContact CG-OE1 2.78Å; H194-E196 IonicContact ND1-OE1 2.82Å; H194-E196 PolarHBondContact ND1-OE1 3.46Å; H194-E196 PolarHBondContact O-N 3.49Å; H194-E196 VanDerWaalsContact O-N 3.14Å; E196-S198 VanDerWaalsContact C-N 3.35Å; E196-I224 VanDerWaalsContact CA-O 3.25Å; E196-I224 WeakPolarHBondContact CA-O 3.47Å; E196-I224 HydrophobicContact CB-CB 4.39Å; E196-I224 VanDerWaalsContact CB-O 3.31Å; E196-I224 WeakPolarHBondContact CB-O 3.03Å
197R93Very high90.2Very high178 Ų17873 Ų7367%0.67236%0.357SS*.G310 helixtrans-83.9-10.4175.9-63-178.7-172.8171.32.7113H194 P195 R199H194-R197 HydrophobicContact CB-CB 4.41Å; H194-R197 HydrophobicContact CB-CG 3.82Å; H194-R197 WeakPolarHBondContact O-CB 3.39Å; H194-R197 PolarHBondContact O-N 2.97Å; P195-R197 PolarHBondContact O-N 3.43Å; R197-R199 PolarHBondContact O-N 2.76Å
198S90.1Very high89.3Confident51 Ų5170 Ų7036%0.35735%0.345SS..  trans-62.5129.9178.5-175.50000110.7P195 E196 V200P195-S198 VanDerWaalsContact O-CB 3.29Å; P195-S198 WeakPolarHBondContact O-CB 3.44Å; P195-S198 PolarHBondContact O-N 3.17Å; E196-S198 VanDerWaalsContact C-N 3.35Å; S198-V200 PolarHBondContact OG-N 3.38Å
199R90.5Very high88.4Confident211 Ų21167.6 Ų67.680%0.79634%0.336SS*.  trans-101.12.9175.7-61.5-175-177.6-177.90.6112.9R197 P201R197-R199 PolarHBondContact O-N 2.76Å; R199-P201 WeakPolarHBondContact O-CD 3.39Å
200V90.3Very high87.8Confident96 Ų9662.9 Ų62.958%0.58231%0.311SS*.SBendtrans-78.8122.7-178.8-177.40000108.8S198 T202S198-V200 PolarHBondContact OG-N 3.38Å; V200-T202 PolarHBondContact O-N 2.79Å; V200-T202 PolarHBondContact O-OG1 2.83Å
201P88Confident87.3Confident65 Ų6563.1 Ų63.142%0.42231%0.313SS..  trans-54.6122.6172.3-24.734.8000109.8R199 E228 L229R199-P201 WeakPolarHBondContact O-CD 3.39Å; P201-E228 HydrophobicContact CB-CB 4.45Å; P201-L229 HydrophobicContact CB-CD1 4.14Å; P201-L229 HydrophobicContact CB-CD2 4.08Å; P201-L229 HydrophobicContact CB-CG 3.87Å; P201-L229 VanDerWaalsContact O-CD1 3.28Å; P201-L229 WeakPolarHBondContact O-CD1 3.22Å
202T86.5Confident86.8Confident39 Ų3963.6 Ų63.624%0.23931%0.313CS..  trans-122.8135.8-168.6-60.90000111.4V200 L204 R226 N227 E228 L229V200-T202 PolarHBondContact O-N 2.79Å; V200-T202 PolarHBondContact O-OG1 2.83Å; T202-L204 HydrophobicContact CG2-CD2 3.54Å; T202-L204 HydrophobicContact CG2-CG 4.27Å; T202-R226 PolarHBondContact N-O 3.36Å; T202-N227 CarbonylContact O-C 3.57Å; T202-N227 VanDerWaalsContact O-CA 3.29Å; T202-N227 WeakPolarHBondContact O-CA 3.39Å; T202-E228 PolarHBondContact O-N 3.44Å; T202-L229 PolarHBondContact O-N 3.07Å
203A83.1Confident86.3Confident24 Ų2459.5 Ų59.520%0.19829%0.294CS..EExtended strand (participates in β ladder)trans-106.6133.616400000109.3Y205 L229 G230 Y232A203-Y205 HydrophobicContact CB-CD2 4.42Å; A203-Y205 HydrophobicContact CB-CE2 3.56Å; A203-L229 HydrophobicContact CB-CB 3.65Å; A203-G230 VanDerWaalsContact CA-O 3.29Å; A203-G230 WeakPolarHBondContact CA-O 3.46Å; A203-Y232 HydrophobicContact CB-CD2 4.29Å; A203-Y232 HydrophobicContact CB-CE2 3.95Å
204L85.6Confident86.1Confident7 Ų756.8 Ų56.84%0.03728%0.284CS..EExtended strand (participates in β ladder)trans-107118.6178.8-61.4-175000110.6Q68 T202 L221 I222 N227 G230 L231 Y232Q68-L204 HydrophobicContact CG-CD2 4.29Å; Q68-L204 VanDerWaalsContact NE2-C 3.31Å; Q68-L204 VanDerWaalsContact NE2-CA 3.31Å; Q68-L204 VanDerWaalsContact NE2-CB 3.35Å; T202-L204 HydrophobicContact CG2-CD2 3.54Å; T202-L204 HydrophobicContact CG2-CG 4.27Å; L204-L221 HydrophobicContact CD1-CD2 4.19Å; L204-L221 HydrophobicContact CD1-CG 4.2Å; L204-L221 HydrophobicContact CD2-CD2 4.06Å; L204-I222 HydrophobicContact CD1-CG1 3.82Å; L204-N227 VanDerWaalsContact CD1-OD1 3.22Å; L204-N227 WeakPolarHBondContact CD1-OD1 2.81Å; L204-G230 PolarHBondContact N-O 2.92Å; L204-L231 HydrophobicContact CB-CD2 3.79Å; L204-L231 HydrophobicContact CD1-CD2 3.95Å; L204-L231 HydrophobicContact CG-CD2 4.1Å; L204-Y232 PolarHBondContact O-N 3.22Å
205Y83.7Confident85.9Confident102 Ų10256.6 Ų56.640%0.428%0.283SS..EExtended strand (participates in β ladder)trans-108.6123.8173.9-55-94.4000111.2Q68 A203 Y232 Y234Q68-Y205 VanDerWaalsContact NE2-C 3.29Å; Q68-Y205 PolarHBondContact NE2-O 3.16Å; A203-Y205 HydrophobicContact CB-CD2 4.42Å; A203-Y205 HydrophobicContact CB-CE2 3.56Å; Y205-Y232 WeakPolarHBondContact CA-O 3.39Å; Y205-Y232 VanDerWaalsContact CD1-CB 3.41Å; Y205-Y232 AromaticContact CD1-CD2 3.77Å; Y205-Y232 HydrophobicContact CD1-CD2 3.77Å; Y205-Y232 AromaticContact CD1-CG 3.75Å; Y205-Y232 HydrophobicContact CD1-CG 3.75Å; Y205-Y232 HydrophobicContact CE1-CD1 4.27Å; Y205-Y232 AromaticContact CE1-CD2 3.31Å; Y205-Y232 HydrophobicContact CE1-CD2 3.31Å; Y205-Y232 AromaticContact CE1-CE2 3.96Å; Y205-Y232 HydrophobicContact CE1-CE2 3.96Å; Y205-Y232 AromaticContact CE1-CG 3.5Å; Y205-Y232 HydrophobicContact CE1-CG 3.5Å; Y205-Y232 VanDerWaalsContact CE1-CG 3.5Å; Y205-Y232 HydrophobicContact CE2-CD2 4.26Å; Y205-Y232 HydrophobicContact CG-CD2 4.4Å; Y205-Y232 AromaticContact CZ-CD2 3.58Å; Y205-Y232 AromaticContact CZ-CE2 3.89Å; Y205-Y234 AromaticContact CD1-CE2 3.88Å; Y205-Y234 HydrophobicContact CD1-CE2 3.88Å
206W83.8Confident85.9Confident24 Ų2463.9 Ų63.99%0.09131%0.308CS..EExtended strand (participates in β ladder)trans-144.2149.817675.9103.3000113.5V218 I222 L231 Y232 R233 Y234W206-V218 HydrophobicContact CB-CG1 4.17Å; W206-V218 HydrophobicContact CB-CG2 3.97Å; W206-V218 HydrophobicContact CD2-CG1 3.7Å; W206-V218 HydrophobicContact CE3-CG1 3.92Å; W206-V218 HydrophobicContact CG-CB 4.3Å; W206-V218 HydrophobicContact CG-CG1 3.83Å; W206-V218 HydrophobicContact CG-CG2 4.14Å; W206-I222 HydrophobicContact CH2-CD1 3.62Å; W206-I222 HydrophobicContact CZ2-CD1 4.02Å; W206-I222 HydrophobicContact CZ3-CD1 4Å; W206-L231 HydrophobicContact CH2-CB 4.19Å; W206-L231 HydrophobicContact CZ3-CB 4.04Å; W206-L231 HydrophobicContact CZ3-CD2 4.42Å; W206-Y232 PolarHBondContact N-O 2.95Å; W206-R233 HydrophobicContact CD2-CB 4.37Å; W206-R233 HydrophobicContact CH2-CB 3.84Å; W206-R233 HydrophobicContact CZ2-CB 3.54Å; W206-R233 HydrophobicContact CZ2-CG 3.72Å; W206-R233 HydrophobicContact CZ3-CB 4.37Å; W206-Y234 PolarHBondContact O-N 3.1Å
207G80.2Confident85.9Confident23 Ų2360.1 Ų60.124%0.23729%0.291CS..EExtended strand (participates in β ladder)trans-102.8137.8177.300000112.7N209 D210 Y234G207-N209 PolarHBondContact O-N 3.41Å; G207-D210 WeakPolarHBondContact O-CB 3.32Å; G207-D210 PolarHBondContact O-N 2.87Å; G207-D210 VanDerWaalsContact O-N 3.09Å; G207-Y234 CarbonylContact C-O 3.58Å; G207-Y234 WeakPolarHBondContact CA-O 3.47Å
208T78.1Confident85.7Confident23 Ų2351.7 Ų51.714%0.14126%0.259CS..THydrogen-bonded Turntrans-66.4-25.1-178.860.10000113.9R76 R233 Y234 T235R76-T208 PolarHBondContact NH2-O 2.94Å; T208-R233 HydrophobicContact CG2-CG 4.25Å; T208-Y234 PolarHBondContact N-O 2.87Å; T208-T235 HydrophobicContact CG2-CG2 3.63Å
209N76.7Confident85.7Confident77 Ų7751.6 Ų51.641%0.41226%0.261SS..THydrogen-bonded Turntrans-93.7-0.1177.4-67-4000113.2G207 V211 N236G207-N209 PolarHBondContact O-N 3.41Å; N209-V211 PolarHBondContact O-N 3.24Å; N209-N236 PolarHBondContact ND2-OD1 3.34Å
210D82.9Confident85.7Confident23 Ų2346 Ų4612%0.12324%0.24CC..  trans-61125.6174.1-165.4-36.3000108.3S67 R76 G207 L212 S213S67-D210 PolarHBondContact OG-OD2 3.38Å; S67-D210 VanDerWaalsContact OG-OD2 3.11Å; R76-D210 PolarHBondContact NH2-O 2.94Å; G207-D210 WeakPolarHBondContact O-CB 3.32Å; G207-D210 PolarHBondContact O-N 2.87Å; G207-D210 VanDerWaalsContact O-N 3.09Å; D210-L212 WeakPolarHBondContact OD1-CA 3.35Å; D210-L212 PolarHBondContact OD1-N 3.38Å; D210-S213 PolarHBondContact OD1-N 2.91Å
211V83.9Confident85.6Confident18 Ų1842.1 Ų42.111%0.10922%0.216CC..SBendtrans-89.2-21.1-179.3-61.30000111.1T75 R76 T77 N209T75-V211 CarbonylContact C-O 3.43Å; T75-V211 PolarHBondContact OG1-O 3.23Å; R76-V211 WeakPolarHBondContact CA-O 3.33Å; R76-V211 HydrophobicContact CB-CB 4.03Å; R76-V211 HydrophobicContact CB-CG1 4.36Å; R76-V211 PolarHBondContact N-O 3.17Å; T77-V211 HydrophobicContact CG2-CB 4.49Å; T77-V211 HydrophobicContact CG2-CG2 3.92Å; T77-V211 PolarHBondContact N-O 3.42Å; N209-V211 PolarHBondContact O-N 3.24Å
212L85.3Confident85.7Confident40 Ų4041 Ų4121%0.20921%0.206CC..SBendtrans-91.3-56.6177.9-17659.2000110.5V69 V72 T77 F162 D210 V214V69-L212 HydrophobicContact CG1-CD2 4.43Å; V69-L212 HydrophobicContact CG1-CG 4.31Å; V69-L212 HydrophobicContact CG2-CD2 3.89Å; V69-L212 HydrophobicContact CG2-CG 4.07Å; V72-L212 HydrophobicContact CG1-CD1 4.3Å; T77-L212 HydrophobicContact CG2-CB 4.05Å; T77-L212 HydrophobicContact CG2-CD1 3.98Å; F162-L212 HydrophobicContact CE1-CD1 4.48Å; D210-L212 WeakPolarHBondContact OD1-CA 3.35Å; D210-L212 PolarHBondContact OD1-N 3.38Å; L212-V214 PolarHBondContact O-N 3.05Å
213S85.8Confident85.8Confident1 Ų144.5 Ų44.51%0.00723%0.228CC..SBendtrans-89.874177-170.10000110.5Q68 D210 V218Q68-S213 WeakPolarHBondContact O-CB 3.44Å; Q68-S213 PolarHBondContact O-OG 3.3Å; D210-S213 PolarHBondContact OD1-N 2.91Å; S213-V218 WeakPolarHBondContact OG-CG2 3.42Å
214V88.5Confident86Confident7 Ų745.8 Ų45.84%0.04223%0.231CC..  trans-73.6146.2-176.3-60.70000111.5H74 R76 L212 R216 D217 V218H74-V214 HydrophobicContact CB-CG2 3.64Å; H74-V214 WeakPolarHBondContact O-CG2 3.28Å; R76-V214 HydrophobicContact CG-CG1 4.1Å; L212-V214 PolarHBondContact O-N 3.05Å; V214-R216 PolarHBondContact O-N 3.39Å; V214-D217 HydrophobicContact CG2-CB 3.96Å; V214-D217 WeakPolarHBondContact CG2-OD2 3.29Å; V214-D217 PolarHBondContact O-N 2.99Å; V214-V218 PolarHBondContact O-N 2.86Å; V214-V218 VanDerWaalsContact O-N 3.1Å
215E87.4Confident86Confident73 Ų7346.7 Ų46.734%0.34124%0.236SC..Hα-helixtrans-53.2-35.5-176.2-179.1162-154.100113.9D217 V218 A219 R233E215-D217 VanDerWaalsContact C-N 3.32Å; E215-D217 PolarHBondContact O-N 2.71Å; E215-V218 PolarHBondContact O-N 2.76Å; E215-A219 WeakPolarHBondContact O-CB 3.33Å; E215-A219 PolarHBondContact O-N 3.12Å; E215-R233 IonicContact OE1-CZ 2.81Å; E215-R233 IonicContact OE1-NE 2.71Å; E215-R233 PolarHBondContact OE1-NE 3.24Å; E215-R233 IonicContact OE1-NH2 3.98Å; E215-R233 PolarHBondContact OE1-NH2 2.99Å; E215-R233 IonicContact OE2-CZ 3.42Å; E215-R233 IonicContact OE2-NE 3.74Å; E215-R233 IonicContact OE2-NH2 3.99Å; E215-R233 PolarHBondContact OE2-NH2 2.91Å
216R89.2Confident86Confident174 Ų17448.5 Ų48.566%0.65724%0.243SC*.Hα-helixtrans-61.6-38.2175.7-178.9173.3178.4-173.8-2.7113.1H74 V214H74-R216 HydrophobicContact CB-CB 4.49Å; H74-R216 VanDerWaalsContact CD2-CZ 3.47Å; H74-R216 PolarHBondContact CD2-NH1 3.27Å; H74-R216 PolarHBondContact CE1-NE 3.1Å; H74-R216 PolarHBondContact NE2-NE 3.42Å; H74-R216 PolarHBondContact NE2-NH1 3.27Å; H74-R216 VanDerWaalsContact NE2-NH1 3.18Å; H74-R216 PolarHBondContact NE2-NH2 3.25Å; V214-R216 PolarHBondContact O-N 3.39Å
217D91.2Very high85.6Confident6 Ų648.9 Ų48.93%0.03225%0.246CC..Hα-helixtrans-78.7-36.4-179.6-75-21.8000110.7Y71 V72 G73 H74 V214 E215 R220 L221Y71-D217 VanDerWaalsContact O-CB 3.28Å; Y71-D217 WeakPolarHBondContact O-CB 3.38Å; V72-D217 WeakPolarHBondContact CA-OD2 3.34Å; G73-D217 PolarHBondContact N-OD2 3.21Å; H74-D217 IonicContact CE1-OD1 2.73Å; H74-D217 IonicContact CG-OD1 3.54Å; H74-D217 PolarHBondContact N-OD2 3.11Å; H74-D217 IonicContact ND1-OD1 3.39Å; H74-D217 PolarHBondContact ND1-OD1 3.39Å; H74-D217 IonicContact ND1-OD2 3.85Å; V214-D217 HydrophobicContact CG2-CB 3.96Å; V214-D217 WeakPolarHBondContact CG2-OD2 3.29Å; V214-D217 PolarHBondContact O-N 2.99Å; E215-D217 VanDerWaalsContact C-N 3.32Å; E215-D217 PolarHBondContact O-N 2.71Å; D217-R220 PolarHBondContact O-N 3.16Å; D217-L221 PolarHBondContact O-N 3.2Å
218V89.7Confident85.3Confident2 Ų253.5 Ų53.51%0.01226%0.262CS..Hα-helixtrans-64.3-40172.6-179.50000111.5W206 S213 V214 E215 R220 L221 I222W206-V218 HydrophobicContact CB-CG1 4.17Å; W206-V218 HydrophobicContact CB-CG2 3.97Å; W206-V218 HydrophobicContact CD2-CG1 3.7Å; W206-V218 HydrophobicContact CE3-CG1 3.92Å; W206-V218 HydrophobicContact CG-CB 4.3Å; W206-V218 HydrophobicContact CG-CG1 3.83Å; W206-V218 HydrophobicContact CG-CG2 4.14Å; S213-V218 WeakPolarHBondContact OG-CG2 3.42Å; V214-V218 PolarHBondContact O-N 2.86Å; V214-V218 VanDerWaalsContact O-N 3.1Å; E215-V218 PolarHBondContact O-N 2.76Å; V218-R220 PolarHBondContact O-N 3.26Å; V218-L221 WeakPolarHBondContact O-CA 3.13Å; V218-L221 WeakPolarHBondContact O-CB 3.39Å; V218-L221 PolarHBondContact O-N 3.15Å; V218-I222 HydrophobicContact CG1-CD1 4.01Å; V218-I222 HydrophobicContact CG1-CG1 4.22Å; V218-I222 WeakPolarHBondContact O-CG1 3.16Å; V218-I222 PolarHBondContact O-N 2.71Å
219A89.9Confident85.2Confident48 Ų4857 Ų5740%0.39728%0.279SS..Hα-helixtrans-56.5-36.8177.300000112.5E215 I222 T223E215-A219 WeakPolarHBondContact O-CB 3.33Å; E215-A219 PolarHBondContact O-N 3.12Å; A219-I222 PolarHBondContact O-N 2.91Å; A219-T223 WeakPolarHBondContact O-CG2 3.26Å; A219-T223 PolarHBondContact O-N 3.31Å
220R90.2Very high85.1Confident93 Ų9354.4 Ų54.435%0.35127%0.27SS..Hα-helixtrans-65.7-40.9173.6-178.6179.5178.8-177.91.4111.9Y71 N169 D217 V218 T223 I224Y71-R220 HydrophobicContact CD2-CB 4.19Å; Y71-R220 HydrophobicContact CD2-CG 4.04Å; Y71-R220 HydrophobicContact CE2-CB 4.35Å; Y71-R220 HydrophobicContact CE2-CG 3.78Å; N169-R220 PolarHBondContact O-NH1 3.4Å; D217-R220 PolarHBondContact O-N 3.16Å; V218-R220 PolarHBondContact O-N 3.26Å; R220-T223 PolarHBondContact O-N 2.83Å; R220-T223 PolarHBondContact O-OG1 2.81Å; R220-I224 WeakPolarHBondContact O-CG1 3.42Å; R220-I224 PolarHBondContact O-N 3.19Å
221L88.8Confident85Confident15 Ų1557 Ų578%0.07928%0.284CS..Hα-helixtrans-64-45.9177.7-168.265.5000110.6Q68 A70 Y71 P195 L204 D217 V218 T223 I224 T225Q68-L221 HydrophobicContact CB-CD2 4.26Å; Q68-L221 HydrophobicContact CG-CD2 4.44Å; A70-L221 HydrophobicContact CB-CD1 4.01Å; A70-L221 HydrophobicContact CB-CD2 4.22Å; Y71-L221 HydrophobicContact CE2-CD1 4.39Å; P195-L221 HydrophobicContact CB-CD1 4.26Å; P195-L221 HydrophobicContact CG-CD1 4.47Å; L204-L221 HydrophobicContact CD1-CD2 4.19Å; L204-L221 HydrophobicContact CD1-CG 4.2Å; L204-L221 HydrophobicContact CD2-CD2 4.06Å; D217-L221 PolarHBondContact O-N 3.2Å; V218-L221 WeakPolarHBondContact O-CA 3.13Å; V218-L221 WeakPolarHBondContact O-CB 3.39Å; V218-L221 PolarHBondContact O-N 3.15Å; L221-T223 PolarHBondContact O-N 3.49Å; L221-T223 VanDerWaalsContact O-N 3.17Å; L221-I224 HydrophobicContact CD1-CD1 4.38Å; L221-I224 HydrophobicContact CD1-CG1 4.39Å; L221-I224 WeakPolarHBondContact O-CG1 3.49Å; L221-I224 PolarHBondContact O-N 3.28Å; L221-T225 HydrophobicContact CD1-CG2 3.54Å; L221-T225 HydrophobicContact CG-CG2 3.97Å; L221-T225 PolarHBondContact O-N 3.08Å; L221-T225 PolarHBondContact O-OG1 3.42Å
222I88.7Confident84.6Confident41 Ų4161 Ų6121%0.2130%0.298CS..Hα-helixtrans-51.3-43.2176.8-68.9171.2000111.5L204 W206 V218 A219 I224 N227 L231L204-I222 HydrophobicContact CD1-CG1 3.82Å; W206-I222 HydrophobicContact CH2-CD1 3.62Å; W206-I222 HydrophobicContact CZ2-CD1 4.02Å; W206-I222 HydrophobicContact CZ3-CD1 4Å; V218-I222 HydrophobicContact CG1-CD1 4.01Å; V218-I222 HydrophobicContact CG1-CG1 4.22Å; V218-I222 WeakPolarHBondContact O-CG1 3.16Å; V218-I222 PolarHBondContact O-N 2.71Å; A219-I222 PolarHBondContact O-N 2.91Å; I222-I224 VanDerWaalsContact C-N 3.32Å; I222-I224 PolarHBondContact O-N 3.22Å; I222-N227 WeakPolarHBondContact CA-ND2 3.34Å; I222-N227 PolarHBondContact O-ND2 3.12Å; I222-L231 HydrophobicContact CD1-CD1 4.29Å; I222-L231 HydrophobicContact CD1-CD2 4.2Å; I222-L231 HydrophobicContact CG1-CD1 4.33Å; I222-L231 HydrophobicContact CG1-CD2 3.79Å; I222-L231 HydrophobicContact CG2-CD1 3.62Å; I222-L231 HydrophobicContact CG2-CD2 4.32Å
223T88.9Confident84.2Confident113 Ų11364.8 Ų64.869%0.69331%0.309SS*.Hα-helixtrans-72.6-22-177.3540000114.6A219 R220 L221A219-T223 WeakPolarHBondContact O-CG2 3.26Å; A219-T223 PolarHBondContact O-N 3.31Å; R220-T223 PolarHBondContact O-N 2.83Å; R220-T223 PolarHBondContact O-OG1 2.81Å; L221-T223 PolarHBondContact O-N 3.49Å; L221-T223 VanDerWaalsContact O-N 3.17Å
224I88.2Confident83.5Confident52 Ų5268.6 Ų68.627%0.26732%0.324SS..Hα-helixtrans-108.8-19-17369.6-174.8000113.2Y71 P195 E196 R220 L221 I222Y71-I224 HydrophobicContact CE2-CD1 3.71Å; Y71-I224 WeakPolarHBondContact OH-CD1 3.5Å; P195-I224 HydrophobicContact CG-CD1 3.57Å; P195-I224 HydrophobicContact CG-CG1 4.27Å; E196-I224 VanDerWaalsContact CA-O 3.25Å; E196-I224 WeakPolarHBondContact CA-O 3.47Å; E196-I224 HydrophobicContact CB-CB 4.39Å; E196-I224 VanDerWaalsContact CB-O 3.31Å; E196-I224 WeakPolarHBondContact CB-O 3.03Å; R220-I224 WeakPolarHBondContact O-CG1 3.42Å; R220-I224 PolarHBondContact O-N 3.19Å; L221-I224 HydrophobicContact CD1-CD1 4.38Å; L221-I224 HydrophobicContact CD1-CG1 4.39Å; L221-I224 WeakPolarHBondContact O-CG1 3.49Å; L221-I224 PolarHBondContact O-N 3.28Å; I222-I224 VanDerWaalsContact C-N 3.32Å; I222-I224 PolarHBondContact O-N 3.22Å
225T85.8Confident82.4Confident25 Ų2570.2 Ų70.215%0.15333%0.334CS..SBendtrans-100.3155179.953.80000113.3P195 L221 N227P195-T225 HydrophobicContact CB-CG2 4.1Å; L221-T225 HydrophobicContact CD1-CG2 3.54Å; L221-T225 HydrophobicContact CG-CG2 3.97Å; L221-T225 PolarHBondContact O-N 3.08Å; L221-T225 PolarHBondContact O-OG1 3.42Å; T225-N227 PolarHBondContact O-N 2.66Å; T225-N227 PolarHBondContact O-ND2 3.17Å; T225-N227 PolarHBondContact OG1-OD1 2.83Å
226R81.9Confident81.1Confident141 Ų14170.7 Ų70.753%0.53234%0.339SS..  trans-79.192.2172.4-62.8-175.5-175.7-165.1-0.9110.3T202 E228T202-R226 PolarHBondContact N-O 3.36Å; R226-E228 HydrophobicContact CB-CG 4.21Å; R226-E228 PolarHBondContact O-N 2.61Å
227N76.9Confident79.3Confident32 Ų3264.5 Ų64.517%0.17132%0.32CS..  trans-84.745.1-176.9-47.5-48.9000112.4T202 L204 I222 T225 L229 G230 L231T202-N227 CarbonylContact O-C 3.57Å; T202-N227 VanDerWaalsContact O-CA 3.29Å; T202-N227 WeakPolarHBondContact O-CA 3.39Å; L204-N227 VanDerWaalsContact CD1-OD1 3.22Å; L204-N227 WeakPolarHBondContact CD1-OD1 2.81Å; I222-N227 WeakPolarHBondContact CA-ND2 3.34Å; I222-N227 PolarHBondContact O-ND2 3.12Å; T225-N227 PolarHBondContact O-N 2.66Å; T225-N227 PolarHBondContact O-ND2 3.17Å; T225-N227 PolarHBondContact OG1-OD1 2.83Å; N227-L229 PolarHBondContact O-N 3.12Å; N227-G230 PolarHBondContact O-N 3.18Å; N227-L231 HydrophobicContact CB-CD2 3.6Å; N227-L231 HydrophobicContact CB-CG 4.07Å
228E73.4Confident78.2Confident120 Ų12064.6 Ų64.656%0.56132%0.321SS*.THydrogen-bonded Turntrans-59.9-30.7-170.9-68.6172.5-163.400113.2P201 T202 R226P201-E228 HydrophobicContact CB-CB 4.45Å; T202-E228 PolarHBondContact O-N 3.44Å; R226-E228 HydrophobicContact CB-CG 4.21Å; R226-E228 PolarHBondContact O-N 2.61Å
229L75.3Confident77.6Confident96 Ų9664.6 Ų64.650%0.50332%0.32SS..THydrogen-bonded Turntrans-87.1-7.3178.7-57.4178.7000113.2P201 T202 A203 N227 Y232P201-L229 HydrophobicContact CB-CD1 4.14Å; P201-L229 HydrophobicContact CB-CD2 4.08Å; P201-L229 HydrophobicContact CB-CG 3.87Å; P201-L229 VanDerWaalsContact O-CD1 3.28Å; P201-L229 WeakPolarHBondContact O-CD1 3.22Å; T202-L229 PolarHBondContact O-N 3.07Å; A203-L229 HydrophobicContact CB-CB 3.65Å; N227-L229 PolarHBondContact O-N 3.12Å; L229-Y232 PolarHBondContact O-OH 2.99Å; L229-Y232 VanDerWaalsContact O-OH 3.14Å
230G76.2Confident77.2Confident22 Ų2263 Ų6323%0.22731%0.306CS..EExtended strand (participates in β ladder)trans115.9172.7171.400000116.2A203 L204 N227A203-G230 VanDerWaalsContact CA-O 3.29Å; A203-G230 WeakPolarHBondContact CA-O 3.46Å; L204-G230 PolarHBondContact N-O 2.92Å; N227-G230 PolarHBondContact O-N 3.18Å
231L79.6Confident76.6Confident78 Ų7859 Ų5941%0.40830%0.295SS..EExtended strand (participates in β ladder)trans-122.4118-178.3-63.2177.3000109.5L204 W206 I222 N227L204-L231 HydrophobicContact CB-CD2 3.79Å; L204-L231 HydrophobicContact CD1-CD2 3.95Å; L204-L231 HydrophobicContact CG-CD2 4.1Å; W206-L231 HydrophobicContact CH2-CB 4.19Å; W206-L231 HydrophobicContact CZ3-CB 4.04Å; W206-L231 HydrophobicContact CZ3-CD2 4.42Å; I222-L231 HydrophobicContact CD1-CD1 4.29Å; I222-L231 HydrophobicContact CD1-CD2 4.2Å; I222-L231 HydrophobicContact CG1-CD1 4.33Å; I222-L231 HydrophobicContact CG1-CD2 3.79Å; I222-L231 HydrophobicContact CG2-CD1 3.62Å; I222-L231 HydrophobicContact CG2-CD2 4.32Å; N227-L231 HydrophobicContact CB-CD2 3.6Å; N227-L231 HydrophobicContact CB-CG 4.07Å
232Y76.4Confident76.2Confident101 Ų10159.9 Ų59.940%0.39630%0.299SS..EExtended strand (participates in β ladder)trans-120.3100.6-172.7-58.3-84000110.6A203 L204 Y205 W206 L229A203-Y232 HydrophobicContact CB-CD2 4.29Å; A203-Y232 HydrophobicContact CB-CE2 3.95Å; L204-Y232 PolarHBondContact O-N 3.22Å; Y205-Y232 WeakPolarHBondContact CA-O 3.39Å; Y205-Y232 VanDerWaalsContact CD1-CB 3.41Å; Y205-Y232 AromaticContact CD1-CD2 3.77Å; Y205-Y232 HydrophobicContact CD1-CD2 3.77Å; Y205-Y232 AromaticContact CD1-CG 3.75Å; Y205-Y232 HydrophobicContact CD1-CG 3.75Å; Y205-Y232 HydrophobicContact CE1-CD1 4.27Å; Y205-Y232 AromaticContact CE1-CD2 3.31Å; Y205-Y232 HydrophobicContact CE1-CD2 3.31Å; Y205-Y232 AromaticContact CE1-CE2 3.96Å; Y205-Y232 HydrophobicContact CE1-CE2 3.96Å; Y205-Y232 AromaticContact CE1-CG 3.5Å; Y205-Y232 HydrophobicContact CE1-CG 3.5Å; Y205-Y232 VanDerWaalsContact CE1-CG 3.5Å; Y205-Y232 HydrophobicContact CE2-CD2 4.26Å; Y205-Y232 HydrophobicContact CG-CD2 4.4Å; Y205-Y232 AromaticContact CZ-CD2 3.58Å; Y205-Y232 AromaticContact CZ-CE2 3.89Å; W206-Y232 PolarHBondContact N-O 2.95Å; L229-Y232 PolarHBondContact O-OH 2.99Å; L229-Y232 VanDerWaalsContact O-OH 3.14Å
233R76.6Confident76Confident120 Ų12058 Ų5845%0.45329%0.289SS..EExtended strand (participates in β ladder)trans-95.1123178.8-174.9176.8-176.2-108.83.9110.7W206 T208 E215 T235W206-R233 HydrophobicContact CD2-CB 4.37Å; W206-R233 HydrophobicContact CH2-CB 3.84Å; W206-R233 HydrophobicContact CZ2-CB 3.54Å; W206-R233 HydrophobicContact CZ2-CG 3.72Å; W206-R233 HydrophobicContact CZ3-CB 4.37Å; T208-R233 HydrophobicContact CG2-CG 4.25Å; E215-R233 IonicContact OE1-CZ 2.81Å; E215-R233 IonicContact OE1-NE 2.71Å; E215-R233 PolarHBondContact OE1-NE 3.24Å; E215-R233 IonicContact OE1-NH2 3.98Å; E215-R233 PolarHBondContact OE1-NH2 2.99Å; E215-R233 IonicContact OE2-CZ 3.42Å; E215-R233 IonicContact OE2-NE 3.74Å; E215-R233 IonicContact OE2-NH2 3.99Å; E215-R233 PolarHBondContact OE2-NH2 2.91Å; R233-T235 VanDerWaalsContact NH1-CG2 3.34Å
234Y71.3Confident75.6Confident81 Ų8156.2 Ų56.232%0.31828%0.275SS..EExtended strand (participates in β ladder)trans-103.598.4174.1-61.6-87000110.5Y205 W206 G207 T208 T237Y205-Y234 AromaticContact CD1-CE2 3.88Å; Y205-Y234 HydrophobicContact CD1-CE2 3.88Å; W206-Y234 PolarHBondContact O-N 3.1Å; G207-Y234 CarbonylContact C-O 3.58Å; G207-Y234 WeakPolarHBondContact CA-O 3.47Å; T208-Y234 PolarHBondContact N-O 2.87Å; Y234-T237 HydrophobicContact CD1-CG2 4.02Å; Y234-T237 HydrophobicContact CG-CG2 4.19Å
235T65.3Low75Confident41 Ų4160.4 Ų60.425%0.25230%0.297SS..SBendtrans-68.8147.315647.10000108.1T208 R233 T237T208-T235 HydrophobicContact CG2-CG2 3.63Å; R233-T235 VanDerWaalsContact NH1-CG2 3.34Å; T235-T237 PolarHBondContact O-N 3.37Å
236N58.8Low74.7Confident84 Ų8462.2 Ų62.245%0.44930%0.304SS..SBendtrans-3.498.2175.3-91.1-21.9000112.3N209 E238N209-N236 PolarHBondContact ND2-OD1 3.34Å; N236-E238 PolarHBondContact O-N 2.8Å
237T52.4Low74.5Confident43 Ų4356.8 Ų56.826%0.26429%0.292SS..SBendtrans-66.332.2-166.145.40000114.6N137 Y234 T235 G241N137-T237 PolarHBondContact ND2-OG1 2.95Å; N137-T237 PolarHBondContact OD1-OG1 3.14Å; Y234-T237 HydrophobicContact CD1-CG2 4.02Å; Y234-T237 HydrophobicContact CG-CG2 4.19Å; T235-T237 PolarHBondContact O-N 3.37Å; T237-G241 WeakPolarHBondContact O-CA 3.42Å
238E67.7Low74.9Confident8 Ų855.9 Ų55.94%0.03729%0.286CS..SBendtrans-83.1-89.1-176.7-66178-149.700109R136 N236 I242 I296 Y328 H487R136-E238 WeakPolarHBondContact CD-OE1 3.42Å; R136-E238 IonicContact CZ-OE1 3.5Å; R136-E238 IonicContact CZ-OE2 3.6Å; R136-E238 IonicContact NE-OE1 3.45Å; R136-E238 IonicContact NH1-OE1 2.74Å; R136-E238 PolarHBondContact NH1-OE1 3.06Å; R136-E238 IonicContact NH1-OE2 3.03Å; R136-E238 PolarHBondContact NH1-OE2 2.99Å; N236-E238 PolarHBondContact O-N 2.8Å; E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 WeakPolarHBondContact O-CD1 3.37Å; E238-I242 WeakPolarHBondContact O-CG1 3.5Å; E238-I242 PolarHBondContact O-N 3.33Å; E238-I296 HydrophobicContact CB-CD1 4.42Å; E238-Y328 PolarHBondContact OE2-OH 3.12Å; E238-H487 IonicContact OE2-CE1 3.12Å
239H77.6Confident75.4Confident2 Ų251.4 Ų51.41%0.00927%0.27CS..Hα-helixtrans-67.2-67.2-176.8-61.792.4000112.8G241 I242 I243 Q266 S295 I296 L299 Y328H239-G241 PolarHBondContact O-N 2.68Å; H239-I242 PolarHBondContact O-N 3.41Å; H239-I242 VanDerWaalsContact O-N 3.14Å; H239-I243 HydrophobicContact CB-CD1 4.33Å; H239-I243 WeakPolarHBondContact O-CB 3.32Å; H239-I243 WeakPolarHBondContact O-CD1 3.47Å; H239-I243 WeakPolarHBondContact O-CG1 3.28Å; H239-I243 PolarHBondContact O-N 2.96Å; H239-Q266 HydrophobicContact CB-CB 4.31Å; H239-Q266 HydrophobicContact CB-CG 3.65Å; H239-S295 PolarHBondContact CE1-OG 3.38Å; H239-S295 PolarHBondContact NE2-OG 2.82Å; H239-I296 HydrophobicContact CB-CD1 4.43Å; H239-I296 WeakPolarHBondContact NE2-CA 3.39Å; H239-I296 PolarHBondContact NE2-N 2.92Å; H239-L299 HydrophobicContact CB-CD1 4.45Å; H239-Y328 AromaticContact CE1-CD1 3.66Å; H239-Y328 AromaticContact CE1-CD2 3.79Å; H239-Y328 AromaticContact CE1-CE1 3.22Å; H239-Y328 WeakPolarHBondContact CE1-CE1 3.45Å; H239-Y328 AromaticContact CE1-CE2 3.4Å; H239-Y328 VanDerWaalsContact CE1-CE2 3.4Å; H239-Y328 WeakPolarHBondContact CE1-CE2 3.28Å; H239-Y328 AromaticContact CE1-CG 3.92Å; H239-Y328 AromaticContact CE1-CZ 3.06Å; H239-Y328 PolarHBondContact CE1-OH 3.03Å; H239-Y328 AromaticContact ND1-CD1 3.85Å; H239-Y328 AromaticContact ND1-CE1 3.34Å; H239-Y328 VanDerWaalsContact ND1-CE1 3.34Å; H239-Y328 WeakPolarHBondContact ND1-CE1 3.15Å; H239-Y328 AromaticContact ND1-CZ 3.61Å
240C82.2Confident75.9Confident14 Ų1448 Ų4810%0.09525%0.254CS..Hα-helixtrans-64.3-29-178.5-72.60000111.8L244 C250 E252C240-L244 HydrophobicContact CB-CD1 4.44Å; C240-L244 WeakPolarHBondContact O-CB 3.42Å; C240-L244 WeakPolarHBondContact O-CD1 3.45Å; C240-L244 WeakPolarHBondContact O-CG 3.31Å; C240-L244 PolarHBondContact O-N 3.24Å; C240-C250 WeakPolarHBondContact CA-SG 3.32Å; C240-C250 HydrophobicContact CB-CB 3.58Å; C240-C250 WeakPolarHBondContact CB-SG 3.02Å; C240-C250 WeakPolarHBondContact SG-CB 3.02Å; C240-C250 CovalentContact SG-SG 2.03Å; C240-C250 PolarHBondContact SG-SG 3.38Å; C240-E252 WeakPolarHBondContact SG-CG 3.42Å
241G77.1Confident76.4Confident11 Ų1150.6 Ų50.611%0.11326%0.26CS..Hα-helixtrans-61.3-50.2171.600000112.6T237 H239 L245T237-G241 WeakPolarHBondContact O-CA 3.42Å; H239-G241 PolarHBondContact O-N 2.68Å; G241-L245 WeakPolarHBondContact O-CB 3.39Å; G241-L245 PolarHBondContact O-N 3.06Å
242I79.3Confident76.9Confident33 Ų3351 Ų5117%0.16926%0.259CS..Hα-helixtrans-64.3-43176.2-68.2169.5000111.1E238 H239 L245 H246 I296 F309E238-I242 WeakPolarHBondContact O-CB 3.49Å; E238-I242 WeakPolarHBondContact O-CD1 3.37Å; E238-I242 WeakPolarHBondContact O-CG1 3.5Å; E238-I242 PolarHBondContact O-N 3.33Å; H239-I242 PolarHBondContact O-N 3.41Å; H239-I242 VanDerWaalsContact O-N 3.14Å; I242-L245 PolarHBondContact O-N 2.95Å; I242-H246 PolarHBondContact O-CD2 3.4Å; I242-H246 PolarHBondContact O-N 3.41Å; I242-I296 HydrophobicContact CD1-CD1 3.88Å; I242-F309 HydrophobicContact CG2-CE2 4.42Å; I242-F309 HydrophobicContact CG2-CZ 4.21Å
243I85.8Confident77.8Confident0 Ų046.9 Ų46.90%024%0.244CC..Hα-helixtrans-63.4-49-179.4-65.7159.5000110.7H239 H246 G247 Y248 C250 I268 L299 F309H239-I243 HydrophobicContact CB-CD1 4.33Å; H239-I243 WeakPolarHBondContact O-CB 3.32Å; H239-I243 WeakPolarHBondContact O-CD1 3.47Å; H239-I243 WeakPolarHBondContact O-CG1 3.28Å; H239-I243 PolarHBondContact O-N 2.96Å; I243-H246 PolarHBondContact O-N 3.32Å; I243-G247 PolarHBondContact O-N 2.73Å; I243-Y248 PolarHBondContact O-N 2.78Å; I243-Y248 VanDerWaalsContact O-N 3.08Å; I243-C250 HydrophobicContact CB-CB 4.06Å; I243-C250 HydrophobicContact CD1-CB 4.3Å; I243-C250 WeakPolarHBondContact CD1-SG 3.25Å; I243-C250 HydrophobicContact CG2-CB 3.73Å; I243-I268 HydrophobicContact CD1-CD1 3.77Å; I243-I268 HydrophobicContact CD1-CG1 3.59Å; I243-I268 HydrophobicContact CG1-CD1 3.83Å; I243-I268 HydrophobicContact CG1-CG1 4.03Å; I243-I268 HydrophobicContact CG2-CD1 4.42Å; I243-I268 HydrophobicContact CG2-CG1 4.1Å; I243-I268 HydrophobicContact CG2-CG2 4.06Å; I243-L299 HydrophobicContact CD1-CD1 3.72Å; I243-L299 HydrophobicContact CG1-CD1 3.8Å; I243-L299 HydrophobicContact CG1-CD2 4.15Å; I243-F309 HydrophobicContact CG1-CE1 4.32Å; I243-F309 HydrophobicContact CG1-CZ 4.28Å
244L80.7Confident78.7Confident77 Ų7743.6 Ų43.640%0.40324%0.239SC..Hα-helixtrans-66.1-38.9177.9-69.1168.1000111.6C240 H246 G247 C250C240-L244 HydrophobicContact CB-CD1 4.44Å; C240-L244 WeakPolarHBondContact O-CB 3.42Å; C240-L244 WeakPolarHBondContact O-CD1 3.45Å; C240-L244 WeakPolarHBondContact O-CG 3.31Å; C240-L244 PolarHBondContact O-N 3.24Å; L244-H246 PolarHBondContact O-N 2.01Å; L244-G247 PolarHBondContact O-N 3.09Å; L244-C250 HydrophobicContact CG-CB 4.38Å
245L75.4Confident79.9Confident139 Ų13940 Ų4073%0.72823%0.226SC*.Hα-helixtrans-56.3-35.4174.9177.667.5000111.8G241 I242 G247G241-L245 WeakPolarHBondContact O-CB 3.39Å; G241-L245 PolarHBondContact O-N 3.06Å; I242-L245 PolarHBondContact O-N 2.95Å; L245-G247 VanDerWaalsContact C-N 3.31Å
246H79.6Confident81.5Confident64 Ų6442.1 Ų42.130%0.29624%0.238SC..THydrogen-bonded Turntrans-88.97.8177.9-68.5-54.6000114I242 I243 L244 Y248 P303 F309I242-H246 PolarHBondContact O-CD2 3.4Å; I242-H246 PolarHBondContact O-N 3.41Å; I243-H246 PolarHBondContact O-N 3.32Å; L244-H246 PolarHBondContact O-N 2.01Å; H246-Y248 HydrophobicContact CB-CD2 4.04Å; H246-Y248 HydrophobicContact CB-CE2 4.3Å; H246-Y248 VanDerWaalsContact O-CD2 3.32Å; H246-Y248 WeakPolarHBondContact O-CD2 3.48Å; H246-P303 HydrophobicContact CB-CG 3.65Å; H246-P303 WeakPolarHBondContact ND1-CG 3.21Å; H246-F309 HydrophobicContact CB-CE1 4.15Å; H246-F309 HydrophobicContact CB-CZ 4.15Å; H246-F309 AromaticContact CD2-CZ 3.82Å
247G76.6Confident83.4Confident27 Ų2738.3 Ų38.328%0.27822%0.218SC..THydrogen-bonded Turntrans80.317.9174.200000114.8I243 L244 L245 K271 S272I243-G247 PolarHBondContact O-N 2.73Å; L244-G247 PolarHBondContact O-N 3.09Å; L245-G247 VanDerWaalsContact C-N 3.31Å; G247-K271 VanDerWaalsContact O-CG 3.25Å; G247-K271 WeakPolarHBondContact O-CG 3.33Å; G247-S272 WeakPolarHBondContact O-CB 3.44Å; G247-S272 PolarHBondContact O-N 3.24Å; G247-S272 PolarHBondContact O-OG 2.84Å
248Y84.6Confident85.5Confident13 Ų1345.5 Ų45.55%0.05125%0.246CC..EExtended strand (participates in β ladder)trans-98.5149.4175.1-67.9-101.2000110.8I243 H246 I268 P303 F309 A312I243-Y248 PolarHBondContact O-N 2.78Å; I243-Y248 VanDerWaalsContact O-N 3.08Å; H246-Y248 HydrophobicContact CB-CD2 4.04Å; H246-Y248 HydrophobicContact CB-CE2 4.3Å; H246-Y248 VanDerWaalsContact O-CD2 3.32Å; H246-Y248 WeakPolarHBondContact O-CD2 3.48Å; Y248-I268 HydrophobicContact CD1-CG2 4.01Å; Y248-I268 HydrophobicContact CG-CG2 4.28Å; Y248-P303 HydrophobicContact CE2-CB 4.44Å; Y248-F309 HydrophobicContact CD1-CD1 4.23Å; Y248-F309 AromaticContact CD2-CD1 3.51Å; Y248-F309 HydrophobicContact CD2-CD1 3.51Å; Y248-F309 AromaticContact CD2-CE1 3.55Å; Y248-F309 HydrophobicContact CD2-CE1 3.55Å; Y248-F309 HydrophobicContact CE1-CD1 4.17Å; Y248-F309 AromaticContact CE2-CD1 3.46Å; Y248-F309 HydrophobicContact CE2-CD1 3.46Å; Y248-F309 VanDerWaalsContact CE2-CD1 3.46Å; Y248-F309 AromaticContact CE2-CE1 3.93Å; Y248-F309 HydrophobicContact CE2-CE1 3.93Å; Y248-F309 HydrophobicContact CE2-CG 4.32Å; Y248-F309 AromaticContact CG-CD1 3.92Å; Y248-F309 HydrophobicContact CG-CD1 3.92Å; Y248-F309 HydrophobicContact CG-CE1 4.01Å; Y248-F309 AromaticContact CZ-CD1 3.79Å; Y248-A312 HydrophobicContact CD1-CB 3.96Å; Y248-A312 HydrophobicContact CE1-CB 3.87Å
249A84.4Confident86.9Confident26 Ų2647.5 Ų47.522%0.21526%0.257CS..EExtended strand (participates in β ladder)trans-81.3131.5176.800000110.5S269 S272A249-S269 WeakPolarHBondContact CB-OG 3.45Å; A249-S269 PolarHBondContact N-O 3.31Å; A249-S269 PolarHBondContact O-N 3.38Å; A249-S269 PolarHBondContact O-OG 3.18Å; A249-S272 PolarHBondContact N-OG 3.14Å
250C86.3Confident87.9Confident24 Ų2447.4 Ų47.416%0.16226%0.257CS..EExtended strand (participates in β ladder)trans-121.7138.8-178-167.20000112.2C240 I243 L244 R267C240-C250 WeakPolarHBondContact CA-SG 3.32Å; C240-C250 HydrophobicContact CB-CB 3.58Å; C240-C250 WeakPolarHBondContact CB-SG 3.02Å; C240-C250 WeakPolarHBondContact SG-CB 3.02Å; C240-C250 CovalentContact SG-SG 2.03Å; C240-C250 PolarHBondContact SG-SG 3.38Å; I243-C250 HydrophobicContact CB-CB 4.06Å; I243-C250 HydrophobicContact CD1-CB 4.3Å; I243-C250 WeakPolarHBondContact CD1-SG 3.25Å; I243-C250 HydrophobicContact CG2-CB 3.73Å; L244-C250 HydrophobicContact CG-CB 4.38Å; C250-R267 WeakPolarHBondContact CA-O 3.02Å
251Q87.6Confident88.6Confident77 Ų7747.1 Ų47.136%0.3625%0.254SS..EExtended strand (participates in β ladder)trans-127.1139.5169.9-61.1174.4-1.100109.6H253 Q266 R267Q251-H253 VanDerWaalsContact CB-NE2 3.33Å; Q251-H253 WeakPolarHBondContact CB-NE2 3.4Å; Q251-H253 PolarHBondContact OE1-NE2 3.22Å; Q251-Q266 WeakPolarHBondContact O-CA 3.03Å; Q251-R267 HydrophobicContact CB-CB 4.31Å; Q251-R267 PolarHBondContact N-O 3.41Å; Q251-R267 PolarHBondContact O-N 2.82Å
252E89.5Confident89.6Confident85 Ų8548.4 Ų48.440%0.39726%0.257SS..EExtended strand (participates in β ladder)trans-104.4130172-59.5-162.811400109.9C240 M265 Q266C240-E252 WeakPolarHBondContact SG-CG 3.42Å; E252-M265 WeakPolarHBondContact CA-O 3.29Å; E252-Q266 HydrophobicContact CG-CG 4.25Å; E252-Q266 PolarHBondContact OE1-NE2 2.83Å
253H93.9Very high90.4Very high15 Ų1546.8 Ų46.87%0.06925%0.249CC..EExtended strand (participates in β ladder)trans-119.4149.5-178.6-63.6-99.4000110.6Q251 K264 M265 W319 Y361 F365Q251-H253 VanDerWaalsContact CB-NE2 3.33Å; Q251-H253 WeakPolarHBondContact CB-NE2 3.4Å; Q251-H253 PolarHBondContact OE1-NE2 3.22Å; H253-K264 WeakPolarHBondContact O-CA 3.36Å; H253-M265 HydrophobicContact CB-CB 4.47Å; H253-M265 HydrophobicContact CB-CE 4.47Å; H253-M265 PolarHBondContact N-O 2.88Å; H253-M265 PolarHBondContact O-N 2.87Å; H253-W319 HydrophobicContact CB-CZ3 4.18Å; H253-W319 AromaticContact CD2-CH2 3.86Å; H253-W319 AromaticContact CD2-CZ3 3.58Å; H253-W319 AromaticContact CE1-CH2 3.87Å; H253-W319 AromaticContact CG-CZ3 3.73Å; H253-W319 AromaticContact NE2-CH2 3.77Å; H253-W319 AromaticContact NE2-CZ3 3.98Å; H253-Y361 HydrophobicContact CB-CE1 3.74Å; H253-Y361 AromaticContact CG-CE1 3.79Å; H253-Y361 AromaticContact ND1-CE1 3.46Å; H253-Y361 WeakPolarHBondContact ND1-CE1 3.43Å; H253-Y361 AromaticContact ND1-CZ 3.6Å; H253-Y361 PolarHBondContact ND1-OH 3.44Å; H253-F365 AromaticContact CE1-CD2 3.99Å; H253-F365 AromaticContact CE1-CE2 3.54Å; H253-F365 AromaticContact CE1-CZ 3.7Å
254S95.7Very high90.8Very high51 Ų5149.7 Ų49.736%0.35726%0.262SS..EExtended strand (participates in β ladder)trans-118129.6174.8-90.80000110.5L263 K264S254-L263 VanDerWaalsContact CA-O 3.3Å; S254-L263 WeakPolarHBondContact CA-O 3.12Å; S254-K264 WeakPolarHBondContact OG-CD 3.25Å; S254-K264 WeakPolarHBondContact OG-CE 3.21Å; S254-K264 PolarHBondContact OG-NZ 3.47Å
255V97.4Very high91.5Very high7 Ų746 Ų464%0.04224%0.243CC..EExtended strand (participates in β ladder)trans-120.1135.1179.2-179.40000108.8I262 L263 M265 A357 Y361V255-I262 CarbonylContact O-C 3.22Å; V255-I262 WeakPolarHBondContact O-CA 3.23Å; V255-L263 PolarHBondContact N-O 3.47Å; V255-L263 PolarHBondContact O-N 3.39Å; V255-M265 HydrophobicContact CG2-CE 3.36Å; V255-M265 HydrophobicContact CG2-SD 4.18Å; V255-A357 HydrophobicContact CG1-CB 3.69Å; V255-A357 WeakPolarHBondContact CG1-O 3.46Å; V255-Y361 HydrophobicContact CG2-CD1 4.05Å; V255-Y361 HydrophobicContact CG2-CD2 3.9Å; V255-Y361 HydrophobicContact CG2-CG 3.63Å
256V98.2Very high92.4Very high84 Ų8439.4 Ų39.451%0.50921%0.208SC..EExtended strand (participates in β ladder)trans-102.2122.8175.5-172.60000108.5Y261 I262 I333V256-Y261 CarbonylContact C-O 3.55Å; V256-Y261 WeakPolarHBondContact CA-O 3.25Å; V256-I262 HydrophobicContact CG2-CG1 4.32Å; V256-I333 HydrophobicContact CG1-CG2 4.01Å
257T98.3Very high93.1Very high5 Ų537.2 Ų37.23%0.03120%0.197CC..  trans-76160176.367.90000110.7D259 G260 Y261 L263 D354 A357T257-D259 WeakPolarHBondContact CB-OD1 3.48Å; T257-D259 PolarHBondContact O-N 2.74Å; T257-D259 VanDerWaalsContact O-N 3.15Å; T257-D259 PolarHBondContact OG1-OD1 3.01Å; T257-G260 PolarHBondContact O-N 3.22Å; T257-G260 PolarHBondContact OG1-N 3.27Å; T257-Y261 PolarHBondContact N-O 3.28Å; T257-Y261 WeakPolarHBondContact OG1-CB 3.22Å; T257-Y261 PolarHBondContact OG1-N 3.27Å; T257-Y261 PolarHBondContact OG1-O 2.88Å; T257-L263 HydrophobicContact CG2-CD1 3.6Å; T257-L263 HydrophobicContact CG2-CD2 4.37Å; T257-L263 HydrophobicContact CG2-CG 3.82Å; T257-D354 WeakPolarHBondContact CG2-OD1 3.37Å; T257-A357 HydrophobicContact CG2-CB 4.37Å
258K97.8Very high93.8Very high193 Ų19336 Ų3684%0.83918%0.184SC*.THydrogen-bonded Turntrans-56.7-32178.8-67.8-179179.4173.40113.4Y353K258-Y353 HydrophobicContact CB-CD1 3.91Å; K258-Y353 HydrophobicContact CB-CE1 4.19Å
259D97.4Very high93.5Very high50 Ų5036.3 Ų36.327%0.26719%0.189SC..THydrogen-bonded Turntrans-91.45.1177.870.1-34.2000113.9T257 Y261 R324 H332 Y353T257-D259 WeakPolarHBondContact CB-OD1 3.48Å; T257-D259 PolarHBondContact O-N 2.74Å; T257-D259 VanDerWaalsContact O-N 3.15Å; T257-D259 PolarHBondContact OG1-OD1 3.01Å; D259-Y261 WeakPolarHBondContact OD2-CD2 3.36Å; D259-Y261 WeakPolarHBondContact OD2-CE2 3.07Å; D259-R324 IonicContact OD1-CZ 3.75Å; D259-R324 IonicContact OD1-NH1 3.64Å; D259-R324 IonicContact OD1-NH2 3.63Å; D259-R324 PolarHBondContact OD1-NH2 3.42Å; D259-R324 IonicContact OD2-CZ 3.01Å; D259-R324 IonicContact OD2-NH1 2.93Å; D259-R324 PolarHBondContact OD2-NH1 3.17Å; D259-R324 IonicContact OD2-NH2 2.69Å; D259-R324 PolarHBondContact OD2-NH2 3.32Å; D259-H332 PolarHBondContact O-NE2 2.99Å; D259-Y353 HydrophobicContact CB-CD2 4.25Å; D259-Y353 HydrophobicContact CB-CE2 4.2Å; D259-Y353 HydrophobicContact CB-CG 4.48Å
260G97.6Very high92.8Very high1 Ų136.1 Ų36.11%0.0119%0.189CC..SBendtrans987.216500000116.6T257 H332 I333T257-G260 PolarHBondContact O-N 3.22Å; T257-G260 PolarHBondContact OG1-N 3.27Å; G260-H332 VanDerWaalsContact C-CD2 3.5Å; G260-H332 CarbonylContact O-C 3.57Å; G260-H332 VanDerWaalsContact O-CA 3.25Å; G260-H332 WeakPolarHBondContact O-CA 3.47Å; G260-H332 PolarHBondContact O-CD2 3.18Å; G260-H332 VanDerWaalsContact O-CG 3.23Å; G260-H332 PolarHBondContact O-ND1 3.27Å; G260-I333 PolarHBondContact O-N 3.42Å
261Y98.3Very high91.6Very high8 Ų840.8 Ų40.83%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-72.8145.3171.1-72.2-96.8000110.6V256 T257 D259 R324 H332 F342 F345V256-Y261 CarbonylContact C-O 3.55Å; V256-Y261 WeakPolarHBondContact CA-O 3.25Å; T257-Y261 PolarHBondContact N-O 3.28Å; T257-Y261 WeakPolarHBondContact OG1-CB 3.22Å; T257-Y261 PolarHBondContact OG1-N 3.27Å; T257-Y261 PolarHBondContact OG1-O 2.88Å; D259-Y261 WeakPolarHBondContact OD2-CD2 3.36Å; D259-Y261 WeakPolarHBondContact OD2-CE2 3.07Å; Y261-R324 HydrophobicContact CD1-CB 3.65Å; Y261-R324 HydrophobicContact CE1-CB 4.14Å; Y261-R324 HydrophobicContact CG-CB 3.98Å; Y261-H332 AromaticContact CD1-CD2 3.98Å; Y261-H332 AromaticContact CD2-CD2 3.59Å; Y261-H332 AromaticContact CE2-CD2 3.62Å; Y261-H332 AromaticContact CG-CD2 3.77Å; Y261-H332 AromaticContact CZ-CD2 3.84Å; Y261-F342 HydrophobicContact CD1-CE2 4.22Å; Y261-F342 HydrophobicContact CD1-CZ 4.23Å; Y261-F342 HydrophobicContact CE1-CD2 4.21Å; Y261-F342 HydrophobicContact CE1-CE1 4.31Å; Y261-F342 AromaticContact CE1-CE2 3.95Å; Y261-F342 HydrophobicContact CE1-CE2 3.95Å; Y261-F342 HydrophobicContact CE1-CG 4.49Å; Y261-F342 AromaticContact CE1-CZ 3.97Å; Y261-F342 HydrophobicContact CE1-CZ 3.97Å; Y261-F342 PolarHBondContact OH-O 2.63Å; Y261-F345 HydrophobicContact CE1-CD1 4.16Å; Y261-F345 HydrophobicContact CE1-CE1 4.24Å; Y261-F345 AromaticContact CZ-CD1 3.99Å
262I97.2Very high90Very high37 Ų3740.5 Ų40.519%0.1921%0.213CC..EExtended strand (participates in β ladder)trans-109.3108.7177.1-55.3169.6000107.6V255 V256 Q331 I333V255-I262 CarbonylContact O-C 3.22Å; V255-I262 WeakPolarHBondContact O-CA 3.23Å; V256-I262 HydrophobicContact CG2-CG1 4.32Å; I262-Q331 HydrophobicContact CB-CB 3.84Å; I262-Q331 HydrophobicContact CD1-CB 4.3Å; I262-Q331 HydrophobicContact CG1-CB 4.5Å; I262-Q331 PolarHBondContact N-O 3.07Å; I262-I333 HydrophobicContact CD1-CG2 4.33Å; I262-I333 HydrophobicContact CG1-CG2 4.34Å
263L97.2Very high88.1Confident0 Ų040.3 Ų40.30%023%0.234CC..EExtended strand (participates in β ladder)trans-94.3143.6-178.6-50.1-177.3000110.3S254 V255 T257 R324 S329 D354 M358S254-L263 VanDerWaalsContact CA-O 3.3Å; S254-L263 WeakPolarHBondContact CA-O 3.12Å; V255-L263 PolarHBondContact N-O 3.47Å; V255-L263 PolarHBondContact O-N 3.39Å; T257-L263 HydrophobicContact CG2-CD1 3.6Å; T257-L263 HydrophobicContact CG2-CD2 4.37Å; T257-L263 HydrophobicContact CG2-CG 3.82Å; L263-R324 HydrophobicContact CD2-CB 4.07Å; L263-S329 WeakPolarHBondContact CA-OG 3.33Å; L263-D354 HydrophobicContact CD1-CB 3.57Å; L263-M358 HydrophobicContact CD1-CE 4.39Å; L263-M358 HydrophobicContact CD1-CG 3.83Å; L263-M358 HydrophobicContact CD1-SD 3.92Å
264K93.7Very high86.1Confident60 Ų6048.8 Ų48.826%0.26127%0.265SS..EExtended strand (participates in β ladder)trans-106125.1175.1-74.1-69.9-175.3-176.70110.2H253 S254 N322 Y328 S329H253-K264 WeakPolarHBondContact O-CA 3.36Å; S254-K264 WeakPolarHBondContact OG-CD 3.25Å; S254-K264 WeakPolarHBondContact OG-CE 3.21Å; S254-K264 PolarHBondContact OG-NZ 3.47Å; K264-N322 VanDerWaalsContact O-CB 3.23Å; K264-N322 WeakPolarHBondContact O-CB 3.35Å; K264-N322 PolarHBondContact O-ND2 3.23Å; K264-Y328 VanDerWaalsContact CG-O 3.27Å; K264-Y328 WeakPolarHBondContact CG-O 3.45Å; K264-S329 PolarHBondContact N-OG 3.26Å
265M95.6Very high83.6Confident0 Ų053.1 Ų53.10%029%0.289CS..EExtended strand (participates in β ladder)trans-114.1149.3173-59.6-171.6-56.300110.2E252 H253 V255 F286 W319 L320 M358 Y361 V362E252-M265 WeakPolarHBondContact CA-O 3.29Å; H253-M265 HydrophobicContact CB-CB 4.47Å; H253-M265 HydrophobicContact CB-CE 4.47Å; H253-M265 PolarHBondContact N-O 2.88Å; H253-M265 PolarHBondContact O-N 2.87Å; V255-M265 HydrophobicContact CG2-CE 3.36Å; V255-M265 HydrophobicContact CG2-SD 4.18Å; M265-F286 HydrophobicContact SD-CE2 3.75Å; M265-F286 HydrophobicContact SD-CZ 4.28Å; M265-W319 HydrophobicContact CB-CE3 4.48Å; M265-W319 HydrophobicContact CE-CE3 3.99Å; M265-W319 HydrophobicContact CE-CZ3 3.87Å; M265-L320 WeakPolarHBondContact CA-O 3.32Å; M265-M358 HydrophobicContact CG-CG 4.19Å; M265-M358 HydrophobicContact CG-SD 4.04Å; M265-M358 HydrophobicContact SD-CB 3.53Å; M265-M358 VanDerWaalsContact SD-CB 3.53Å; M265-M358 HydrophobicContact SD-CG 3.5Å; M265-M358 VanDerWaalsContact SD-CG 3.5Å; M265-M358 HydrophobicContact SD-SD 3.93Å; M265-Y361 HydrophobicContact CE-CD1 3.45Å; M265-Y361 VanDerWaalsContact CE-CD1 3.45Å; M265-Y361 HydrophobicContact CE-CE1 4.09Å; M265-Y361 HydrophobicContact CE-CG 4.1Å; M265-V362 HydrophobicContact CE-CG2 4.01Å; M265-V362 HydrophobicContact SD-CG2 4.43Å
266Q94.1Very high81.5Confident1 Ų157.2 Ų57.21%0.00530%0.304CS..EExtended strand (participates in β ladder)trans-114.4135.6171.2-71.484.915.900110.1H239 Q251 E252 S295 L320 N322H239-Q266 HydrophobicContact CB-CB 4.31Å; H239-Q266 HydrophobicContact CB-CG 3.65Å; Q251-Q266 WeakPolarHBondContact O-CA 3.03Å; E252-Q266 HydrophobicContact CG-CG 4.25Å; E252-Q266 PolarHBondContact OE1-NE2 2.83Å; Q266-S295 PolarHBondContact OE1-OG 2.85Å; Q266-L320 HydrophobicContact CB-CB 4.38Å; Q266-L320 HydrophobicContact CB-CD1 4.24Å; Q266-L320 PolarHBondContact N-O 3.08Å; Q266-L320 WeakPolarHBondContact O-CB 3.44Å; Q266-L320 PolarHBondContact O-N 3.01Å; Q266-N322 PolarHBondContact OE1-ND2 3.44Å
267R94.1Very high79.3Confident18 Ų1859.3 Ų59.37%0.06831%0.309CS..EExtended strand (participates in β ladder)trans-114.1128.7178.3-177.7-165.9-179.1-160.610.5109.5C250 Q251 D317 V318 W319C250-R267 WeakPolarHBondContact CA-O 3.02Å; Q251-R267 HydrophobicContact CB-CB 4.31Å; Q251-R267 PolarHBondContact N-O 3.41Å; Q251-R267 PolarHBondContact O-N 2.82Å; R267-D317 IonicContact CZ-OD1 3.88Å; R267-D317 IonicContact CZ-OD2 3.77Å; R267-D317 IonicContact NE-OD1 3.22Å; R267-D317 PolarHBondContact NE-OD1 2.88Å; R267-D317 IonicContact NE-OD2 3.81Å; R267-D317 PolarHBondContact NE-OD2 3.07Å; R267-D317 IonicContact NH2-OD1 2.95Å; R267-D317 PolarHBondContact NH2-OD1 3.32Å; R267-D317 IonicContact NH2-OD2 3.23Å; R267-D317 PolarHBondContact NH2-OD2 3.41Å; R267-V318 CarbonylContact C-O 3.58Å; R267-V318 VanDerWaalsContact CA-O 3.32Å; R267-V318 WeakPolarHBondContact CA-O 3.34Å; R267-W319 HydrophobicContact CB-CD2 4.08Å; R267-W319 HydrophobicContact CB-CE3 4Å; R267-W319 HydrophobicContact CB-CH2 4.34Å; R267-W319 HydrophobicContact CB-CZ2 4.39Å; R267-W319 HydrophobicContact CB-CZ3 4.14Å; R267-W319 VanDerWaalsContact CD-CZ2 3.47Å; R267-W319 HydrophobicContact CG-CD2 3.98Å; R267-W319 HydrophobicContact CG-CE3 4.37Å; R267-W319 HydrophobicContact CG-CH2 4.37Å; R267-W319 HydrophobicContact CG-CZ2 3.94Å
268I92.2Very high76.7Confident0 Ų069.5 Ų69.50%035%0.352CS..EExtended strand (participates in β ladder)trans-102.6107.9170-50.8178.3000107.6I243 Y248 L299 A308 A312 V318 L320I243-I268 HydrophobicContact CD1-CD1 3.77Å; I243-I268 HydrophobicContact CD1-CG1 3.59Å; I243-I268 HydrophobicContact CG1-CD1 3.83Å; I243-I268 HydrophobicContact CG1-CG1 4.03Å; I243-I268 HydrophobicContact CG2-CD1 4.42Å; I243-I268 HydrophobicContact CG2-CG1 4.1Å; I243-I268 HydrophobicContact CG2-CG2 4.06Å; Y248-I268 HydrophobicContact CD1-CG2 4.01Å; Y248-I268 HydrophobicContact CG-CG2 4.28Å; I268-L299 HydrophobicContact CD1-CD2 3.56Å; I268-A308 HydrophobicContact CD1-CB 3.91Å; I268-A312 HydrophobicContact CB-CB 4.43Å; I268-A312 HydrophobicContact CG2-CB 3.71Å; I268-V318 HydrophobicContact CB-CB 4.21Å; I268-V318 PolarHBondContact N-O 2.99Å; I268-V318 PolarHBondContact O-N 3.08Å; I268-L320 HydrophobicContact CD1-CD1 4.29Å
269S77.8Confident74.6Confident21 Ų2164 Ų6415%0.14735%0.35CS..EExtended strand (participates in β ladder)trans-88.5151163.252.80000107.9A249A249-S269 WeakPolarHBondContact CB-OG 3.45Å; A249-S269 PolarHBondContact N-O 3.31Å; A249-S269 PolarHBondContact O-N 3.38Å; A249-S269 PolarHBondContact O-OG 3.18Å
270G68.9Low72.9Confident21 Ų2168.4 Ų68.422%0.21637%0.367CS..EExtended strand (participates in β ladder)trans-50.4173.4-170.800000115.6S272G270-S272 PolarHBondContact O-N 3.24Å
271K61.9Low71.8Confident123 Ų12370.7 Ų70.754%0.53538%0.381SS..EExtended strand (participates in β ladder)trans-49.1128.4-173.1-153.9176.3-174.3177.80112.4G247 G273 R274G247-K271 VanDerWaalsContact O-CG 3.25Å; G247-K271 WeakPolarHBondContact O-CG 3.33Å; K271-G273 PolarHBondContact O-N 2.92Å; K271-R274 PolarHBondContact O-N 3.25Å
272S54.5Low71.3Confident71 Ų7171 Ų7150%0.49739%0.386SS..THydrogen-bonded Turntrans-53.3125.5179.4-63.40000109.9G247 A249 G270G247-S272 WeakPolarHBondContact O-CB 3.44Å; G247-S272 PolarHBondContact O-N 3.24Å; G247-S272 PolarHBondContact O-OG 2.84Å; A249-S272 PolarHBondContact N-OG 3.14Å; G270-S272 PolarHBondContact O-N 3.24Å
273G49.4Very low71.1Confident81 Ų8171.1 Ų71.184%0.83539%0.386SS*.THydrogen-bonded Turntrans98.7-10.1179.300000116.2K271 T275K271-G273 PolarHBondContact O-N 2.92Å; G273-T275 PolarHBondContact O-N 3Å
274R51.6Low71.1Confident192 Ų19271.1 Ų71.173%0.72539%0.386SS*.  trans-72.4114.7163.2-85.5-176.2167.1179.4-4.4108.7K271 R276K271-R274 PolarHBondContact O-N 3.25Å; R274-R276 VanDerWaalsContact C-N 3.26Å; R274-R276 PolarHBondContact O-N 2.9Å
275T43.7Very low71.3Confident142 Ų14268.2 Ų68.287%0.87137%0.373SS*.  trans-62.589.316544.30000108.4G273G273-T275 PolarHBondContact O-N 3Å
276R53.2Low71.5Confident94 Ų9468.2 Ų68.236%0.35537%0.373SS..PPolyproline II helixtrans-60.1144154.2-88.6-175.9157.5171-2.3107.1R274 K278 G315R274-R276 VanDerWaalsContact C-N 3.26Å; R274-R276 PolarHBondContact O-N 2.9Å; R276-K278 PolarHBondContact O-N 3.25Å; R276-K278 VanDerWaalsContact O-N 3.08Å; R276-G315 PolarHBondContact NH2-O 3.35Å
277E50.5Low71.7Confident128 Ų12868.2 Ų68.260%0.59837%0.373SS*.PPolyproline II helixtrans-48123161.4-75.6-177.4163.200107.5G279 K280E277-G279 PolarHBondContact O-N 3Å; E277-K280 PolarHBondContact O-N 3Å; E277-K280 WeakPolarHBondContact OE2-CD 3.38Å; E277-K280 VanDerWaalsContact OE2-CE 3.28Å; E277-K280 WeakPolarHBondContact OE2-CE 3.45Å; E277-K280 IonicContact OE2-NZ 2.7Å; E277-K280 PolarHBondContact OE2-NZ 3.09Å
278K44.5Very low71.9Confident218 Ų21867.4 Ų67.495%0.94837%0.37SS*.THydrogen-bonded Turntrans-51.9116.2175.8-79.4-178.1176.4178.40107.7R276R276-K278 PolarHBondContact O-N 3.25Å; R276-K278 VanDerWaalsContact O-N 3.08Å
279G52.8Low72Confident77 Ų7767.5 Ų67.579%0.79437%0.371SS*.THydrogen-bonded Turntrans108.9-13174.600000117E277 T281E277-G279 PolarHBondContact O-N 3Å; G279-T281 PolarHBondContact O-N 3.21Å
280K63.1Low72.7Confident143 Ų14366.5 Ų66.562%0.62236%0.364SS*.  trans-93.599.3174.4-74.8-174.5-175.5156.10111.8E277E277-K280 PolarHBondContact O-N 3Å; E277-K280 WeakPolarHBondContact OE2-CD 3.38Å; E277-K280 VanDerWaalsContact OE2-CE 3.28Å; E277-K280 WeakPolarHBondContact OE2-CE 3.45Å; E277-K280 IonicContact OE2-NZ 2.7Å; E277-K280 PolarHBondContact OE2-NZ 3.09Å
281T74.5Confident73.5Confident50 Ų5066.9 Ų66.931%0.30736%0.361SS..PPolyproline II helixtrans-75130.716646.60000109G279 T366 H368G279-T281 PolarHBondContact O-N 3.21Å; T281-T366 PolarHBondContact OG1-O 3.49Å; T281-H368 PolarHBondContact O-NE2 3.49Å; T281-H368 PolarHBondContact OG1-NE2 3.21Å
282G87.8Confident74.4Confident13 Ų1362.8 Ų62.813%0.13434%0.343CS..PPolyproline II helixtrans-63.4161.217300000111P284 D317G282-P284 WeakPolarHBondContact O-CD 3.31Å; G282-D317 VanDerWaalsContact O-CB 3.23Å; G282-D317 WeakPolarHBondContact O-CB 3.45Å
283Q93.2Very high75.8Confident40 Ų4060.4 Ų60.419%0.18732%0.323CS..PPolyproline II helixtrans-53.8126.8176.3178.162.140.500110.1Y316 D317 S370 H372Q283-Y316 HydrophobicContact CB-CD1 4.04Å; Q283-Y316 HydrophobicContact CB-CE1 4.24Å; Q283-Y316 HydrophobicContact CG-CD1 4.48Å; Q283-Y316 HydrophobicContact CG-CE1 4.49Å; Q283-Y316 WeakPolarHBondContact O-CD1 3.48Å; Q283-D317 PolarHBondContact O-N 2.85Å; Q283-S370 PolarHBondContact NE2-O 2.95Å; Q283-H372 VanDerWaalsContact CG-CD2 3.45Å; Q283-H372 WeakPolarHBondContact CG-CD2 3.35Å; Q283-H372 WeakPolarHBondContact CG-NE2 3.16Å
284P96.5Very high77.7Confident0 Ų056.5 Ų56.50%028%0.283CS..EExtended strand (participates in β ladder)trans-68.1132.6178.922.9-32.6000112.2G282 D317 V362 H368 L371 H372G282-P284 WeakPolarHBondContact O-CD 3.31Å; P284-D317 CarbonylContact C-O 3.55Å; P284-D317 VanDerWaalsContact CA-O 3.27Å; P284-D317 WeakPolarHBondContact CA-O 3.5Å; P284-V362 HydrophobicContact CB-CG1 3.91Å; P284-H368 HydrophobicContact CG-CB 3.91Å; P284-L371 HydrophobicContact CB-CB 3.83Å; P284-L371 HydrophobicContact CG-CB 3.64Å; P284-L371 WeakPolarHBondContact O-CB 3.48Å; P284-H372 PolarHBondContact O-N 3.24Å
285V98.1Very high79.7Confident0 Ų047.4 Ų47.40%025%0.249CC..EExtended strand (participates in β ladder)trans-122.6119.4170.9-176.40000108.4L287 L311 Y316 D317 W319 H372 V374 L587V285-L287 HydrophobicContact CG1-CD2 3.85Å; V285-L311 HydrophobicContact CB-CD1 4.37Å; V285-L311 HydrophobicContact CG1-CD1 3.81Å; V285-L311 HydrophobicContact CG1-CD2 4.37Å; V285-L311 HydrophobicContact CG2-CD2 4.29Å; V285-Y316 HydrophobicContact CG2-CD1 3.4Å; V285-Y316 HydrophobicContact CG2-CE1 4.1Å; V285-Y316 HydrophobicContact CG2-CG 3.74Å; V285-D317 PolarHBondContact N-O 3.13Å; V285-W319 PolarHBondContact O-N 2.03Å; V285-H372 CarbonylContact C-O 3.49Å; V285-H372 WeakPolarHBondContact CA-O 3.42Å; V285-H372 HydrophobicContact CG1-CB 4.38Å; V285-H372 HydrophobicContact CG2-CB 4.22Å; V285-V374 HydrophobicContact CG1-CG2 3.76Å; V285-L587 HydrophobicContact CG2-CD2 4.31Å
286F98.7Very high81.9Confident0 Ų040.6 Ų40.60%021%0.207CC..EExtended strand (participates in β ladder)trans-101.2118.8-177.4-167.6-87.1000110.7M265 Q288 W319 G321 L355 M358 V362 L371 H372 Y373 V374M265-F286 HydrophobicContact SD-CE2 3.75Å; M265-F286 HydrophobicContact SD-CZ 4.28Å; F286-Q288 HydrophobicContact CD1-CB 4.44Å; F286-Q288 HydrophobicContact CE1-CB 4.23Å; F286-W319 CarbonylContact C-O 3.45Å; F286-W319 WeakPolarHBondContact CA-O 3.21Å; F286-W319 HydrophobicContact CD2-CB 3.8Å; F286-W319 HydrophobicContact CE2-CB 4.4Å; F286-G321 VanDerWaalsContact CZ-CA 3.45Å; F286-L355 HydrophobicContact CE1-CD1 4.3Å; F286-M358 HydrophobicContact CE1-CE 4.31Å; F286-M358 HydrophobicContact CE2-CB 3.94Å; F286-M358 HydrophobicContact CZ-CB 3.75Å; F286-M358 HydrophobicContact CZ-CE 3.87Å; F286-M358 HydrophobicContact CZ-CG 4.37Å; F286-M358 HydrophobicContact CZ-SD 3.84Å; F286-V362 HydrophobicContact CD2-CG2 4.18Å; F286-V362 HydrophobicContact CE2-CG2 4.33Å; F286-L371 HydrophobicContact CB-CD1 3.72Å; F286-L371 HydrophobicContact CB-CD2 4.26Å; F286-H372 PolarHBondContact N-O 2.57Å; F286-Y373 HydrophobicContact CB-CD2 4.42Å; F286-Y373 AromaticContact CD1-CD2 3.72Å; F286-Y373 HydrophobicContact CD1-CD2 3.72Å; F286-Y373 AromaticContact CD1-CE2 3.75Å; F286-Y373 HydrophobicContact CD1-CE2 3.75Å; F286-Y373 HydrophobicContact CE1-CE2 4.15Å; F286-Y373 HydrophobicContact CG-CD2 4.46Å; F286-V374 PolarHBondContact O-N 3.2Å
287L98.6Very high83.7Confident0 Ų036.2 Ų36.20%019%0.191CC..EExtended strand (participates in β ladder)trans-103.9116-178.4-51.3-173.2000110.6V285 W298 L307 A308 L311 V318 W319 L320 G321 V374V285-L287 HydrophobicContact CG1-CD2 3.85Å; L287-W298 HydrophobicContact CB-CD2 3.96Å; L287-W298 HydrophobicContact CB-CG 3.95Å; L287-W298 HydrophobicContact CB-CZ2 4.2Å; L287-W298 HydrophobicContact CD1-CB 3.94Å; L287-W298 HydrophobicContact CD1-CD2 3.95Å; L287-W298 HydrophobicContact CD1-CE3 4.28Å; L287-W298 HydrophobicContact CD1-CG 3.8Å; L287-L307 HydrophobicContact CD2-CD2 4.42Å; L287-A308 HydrophobicContact CD1-CB 3.86Å; L287-L311 HydrophobicContact CD1-CD1 4.1Å; L287-L311 HydrophobicContact CD2-CD1 3.81Å; L287-L311 HydrophobicContact CG-CD1 4.4Å; L287-V318 HydrophobicContact CD1-CG1 3.91Å; L287-V318 HydrophobicContact CG-CG1 4.21Å; L287-W319 PolarHBondContact N-O 2.95Å; L287-L320 HydrophobicContact CB-CD2 3.96Å; L287-L320 HydrophobicContact CD1-CD2 3.65Å; L287-L320 HydrophobicContact CG-CD2 4.03Å; L287-G321 PolarHBondContact O-N 2.84Å; L287-V374 HydrophobicContact CD2-CB 3.53Å; L287-V374 HydrophobicContact CD2-CG1 4.12Å; L287-V374 HydrophobicContact CD2-CG2 3.63Å
288Q98.2Very high85.8Confident1 Ų130.1 Ų30.11%0.00516%0.162CC..EExtended strand (participates in β ladder)trans-109.6121.7-178.8-175.255.56600111.9F286 W298 Y373 V374 Y376F286-Q288 HydrophobicContact CD1-CB 4.44Å; F286-Q288 HydrophobicContact CE1-CB 4.23Å; Q288-W298 WeakPolarHBondContact O-CZ2 2.81Å; Q288-Y373 HydrophobicContact CB-CE2 3.69Å; Q288-Y373 VanDerWaalsContact CB-OH 3.26Å; Q288-Y373 WeakPolarHBondContact CB-OH 3.33Å; Q288-Y373 HydrophobicContact CG-CE2 4.34Å; Q288-Y373 VanDerWaalsContact CG-OH 3.23Å; Q288-Y373 WeakPolarHBondContact CG-OH 3.22Å; Q288-V374 PolarHBondContact N-O 3.11Å; Q288-Y376 PolarHBondContact O-N 2.87Å
289H95.1Very high88Confident3 Ų319.8 Ų19.81%0.01412%0.117CC..  trans-74.4167.9-178.770.476.2000113.8R293 S294 S295 G321 N326 G379H289-R293 HydrophobicContact CB-CB 4.17Å; H289-R293 PolarHBondContact CE1-O 2.66Å; H289-R293 PolarHBondContact ND1-O 2.68Å; H289-S294 VanDerWaalsContact CB-C 3.43Å; H289-S294 VanDerWaalsContact CB-O 3.26Å; H289-S294 WeakPolarHBondContact CB-O 2.87Å; H289-S294 WeakPolarHBondContact CD2-CA 3.34Å; H289-S294 VanDerWaalsContact CG-C 3.42Å; H289-S294 VanDerWaalsContact CG-CA 3.47Å; H289-S295 PolarHBondContact CD2-N 3.45Å; H289-G321 PolarHBondContact CD2-O 2.69Å; H289-G321 VanDerWaalsContact CD2-O 3.24Å; H289-N326 PolarHBondContact NE2-ND2 3.06Å; H289-G379 PolarHBondContact O-N 3.35Å
290G91.5Very high89.5Confident0 Ų016.2 Ų16.20%08%0.08CC..  trans-89.6-169.6178.800000116R293 Y376G290-R293 WeakPolarHBondContact O-CB 3.05Å; G290-R293 PolarHBondContact O-N 3.23Å; G290-Y376 VanDerWaalsContact CA-O 3.22Å; G290-Y376 WeakPolarHBondContact CA-O 3.49Å; G290-Y376 PolarHBondContact N-O 3Å
291L87.2Confident90.7Very high28 Ų289.4 Ų9.415%0.1475%0.05CC..THydrogen-bonded Turntrans-65.1138.5-178.9177.468000111.8R293 Q378 T492 F500L291-R293 WeakPolarHBondContact O-CG 3.27Å; L291-R293 PolarHBondContact O-N 3.06Å; L291-Q378 HydrophobicContact CB-CB 4.07Å; L291-T492 HydrophobicContact CD1-CG2 4.03Å; L291-F500 HydrophobicContact CD1-CD2 4.41Å; L291-F500 HydrophobicContact CD1-CE2 4.09Å; L291-F500 HydrophobicContact CD2-CD1 4.47Å; L291-F500 HydrophobicContact CD2-CD2 4.27Å; L291-F500 HydrophobicContact CD2-CE1 4.45Å; L291-F500 HydrophobicContact CD2-CE2 4.27Å; L291-F500 HydrophobicContact CD2-CG 4.39Å; L291-F500 HydrophobicContact CD2-CZ 4.35Å
292F79.7Confident91.3Very high37 Ų3712 Ų1216%0.1626%0.055CC..THydrogen-bonded Turntrans62.29.3-175.2-51.6-52.6000115.8F417 F438 S489 D490 T492 V497F292-F417 HydrophobicContact CE2-CE1 4.37Å; F292-F417 HydrophobicContact CE2-CZ 4.06Å; F292-F438 HydrophobicContact CD1-CD1 4.16Å; F292-F438 HydrophobicContact CD1-CE1 4.47Å; F292-F438 AromaticContact CE1-CD1 3.23Å; F292-F438 HydrophobicContact CE1-CD1 3.23Å; F292-F438 AromaticContact CE1-CE1 3.48Å; F292-F438 HydrophobicContact CE1-CE1 3.48Å; F292-F438 VanDerWaalsContact CE1-CE1 3.48Å; F292-F438 HydrophobicContact CE1-CG 4.26Å; F292-F438 HydrophobicContact CE2-CE1 4.39Å; F292-F438 AromaticContact CZ-CD1 3.69Å; F292-F438 HydrophobicContact CZ-CD1 3.69Å; F292-F438 AromaticContact CZ-CE1 3.42Å; F292-F438 HydrophobicContact CZ-CE1 3.42Å; F292-F438 VanDerWaalsContact CZ-CE1 3.42Å; F292-F438 HydrophobicContact CZ-CZ 4.34Å; F292-S489 WeakPolarHBondContact O-CA 3.34Å; F292-D490 PolarHBondContact O-N 3.48Å; F292-T492 HydrophobicContact CD1-CG2 3.81Å; F292-T492 HydrophobicContact CE1-CG2 3.53Å; F292-V497 HydrophobicContact CE1-CG2 3.61Å; F292-V497 HydrophobicContact CZ-CG2 3.66Å
293R84.1Confident91.3Very high21 Ų2112.7 Ų12.78%0.0796%0.056CC..  trans-110.1-176.9-175.8-57.6-46.6-167.6120.1-13113H289 G290 L291 D297 W571H289-R293 HydrophobicContact CB-CB 4.17Å; H289-R293 PolarHBondContact CE1-O 2.66Å; H289-R293 PolarHBondContact ND1-O 2.68Å; G290-R293 WeakPolarHBondContact O-CB 3.05Å; G290-R293 PolarHBondContact O-N 3.23Å; L291-R293 WeakPolarHBondContact O-CG 3.27Å; L291-R293 PolarHBondContact O-N 3.06Å; R293-D297 WeakPolarHBondContact CB-OD2 3.15Å; R293-D297 WeakPolarHBondContact CD-OD2 3.44Å; R293-D297 WeakPolarHBondContact CG-OD2 3.28Å; R293-D297 IonicContact CZ-OD2 2.8Å; R293-D297 IonicContact NE-OD2 3.88Å; R293-D297 VanDerWaalsContact NH1-CG 3.34Å; R293-D297 IonicContact NH1-OD1 2.81Å; R293-D297 PolarHBondContact NH1-OD1 3.28Å; R293-D297 IonicContact NH1-OD2 2.61Å; R293-D297 PolarHBondContact NH1-OD2 3.38Å; R293-W571 VanDerWaalsContact NH1-CE2 3.26Å
294S90.2Very high91.2Very high0 Ų015 Ų150%07%0.07CC..  trans-140.9176.4167.762.50000110.6H289 I296 D297 N322 Y328 D490H289-S294 VanDerWaalsContact CB-C 3.43Å; H289-S294 VanDerWaalsContact CB-O 3.26Å; H289-S294 WeakPolarHBondContact CB-O 2.87Å; H289-S294 WeakPolarHBondContact CD2-CA 3.34Å; H289-S294 VanDerWaalsContact CG-C 3.42Å; H289-S294 VanDerWaalsContact CG-CA 3.47Å; S294-I296 PolarHBondContact O-N 3.3Å; S294-I296 WeakPolarHBondContact OG-CG2 3.43Å; S294-I296 PolarHBondContact OG-N 3.24Å; S294-D297 PolarHBondContact O-N 2.94Å; S294-N322 WeakPolarHBondContact CB-OD1 3.28Å; S294-Y328 VanDerWaalsContact OG-CE2 3.23Å; S294-Y328 WeakPolarHBondContact OG-CE2 3.21Å; S294-D490 WeakPolarHBondContact CB-OD2 3.46Å; S294-D490 PolarHBondContact OG-OD2 2.78Å
295S93.6Very high90.9Very high0 Ų016.3 Ų16.30%08%0.076CC..G310 helixtrans-51.9-18.3171.741.20000115.4H239 Q266 H289 D297 W298 L320 N322H239-S295 PolarHBondContact CE1-OG 3.38Å; H239-S295 PolarHBondContact NE2-OG 2.82Å; Q266-S295 PolarHBondContact OE1-OG 2.85Å; H289-S295 PolarHBondContact CD2-N 3.45Å; S295-D297 PolarHBondContact O-N 2.76Å; S295-W298 PolarHBondContact O-N 3.07Å; S295-L320 VanDerWaalsContact CB-CB 3.48Å; S295-N322 PolarHBondContact N-OD1 2.89Å; S295-N322 PolarHBondContact OG-ND2 3.04Å; S295-N322 PolarHBondContact OG-OD1 3.21Å
296I89.3Confident90.8Very high0 Ų016.4 Ų16.40%08%0.077CC..G310 helixtrans-64.9-24.3-178.1-159.271.6000112.2E238 H239 I242 S294 W298 L299 I300 H487E238-I296 HydrophobicContact CB-CD1 4.42Å; H239-I296 HydrophobicContact CB-CD1 4.43Å; H239-I296 WeakPolarHBondContact NE2-CA 3.39Å; H239-I296 PolarHBondContact NE2-N 2.92Å; I242-I296 HydrophobicContact CD1-CD1 3.88Å; S294-I296 PolarHBondContact O-N 3.3Å; S294-I296 WeakPolarHBondContact OG-CG2 3.43Å; S294-I296 PolarHBondContact OG-N 3.24Å; I296-W298 PolarHBondContact O-N 3.39Å; I296-W298 VanDerWaalsContact O-N 3.17Å; I296-L299 CarbonylContact O-C 3.58Å; I296-L299 WeakPolarHBondContact O-CA 3.48Å; I296-L299 PolarHBondContact O-N 3.45Å; I296-I300 PolarHBondContact O-N 3.29Å; I296-H487 HydrophobicContact CG2-CB 3.65Å
297D90.1Very high90.7Very high1 Ų116.4 Ų16.41%0.0058%0.077CC..G310 helixtrans-60.6-26.4179.2-85.7-24.7000112.1R293 S294 S295 L299 I300 T570 W571R293-D297 WeakPolarHBondContact CB-OD2 3.15Å; R293-D297 WeakPolarHBondContact CD-OD2 3.44Å; R293-D297 WeakPolarHBondContact CG-OD2 3.28Å; R293-D297 IonicContact CZ-OD2 2.8Å; R293-D297 IonicContact NE-OD2 3.88Å; R293-D297 VanDerWaalsContact NH1-CG 3.34Å; R293-D297 IonicContact NH1-OD1 2.81Å; R293-D297 PolarHBondContact NH1-OD1 3.28Å; R293-D297 IonicContact NH1-OD2 2.61Å; R293-D297 PolarHBondContact NH1-OD2 3.38Å; S294-D297 PolarHBondContact O-N 2.94Å; S295-D297 PolarHBondContact O-N 2.76Å; D297-L299 PolarHBondContact O-N 2.73Å; D297-I300 WeakPolarHBondContact O-CG2 3.39Å; D297-T570 HydrophobicContact CB-CG2 4.24Å; D297-W571 PolarHBondContact OD1-NE1 3.48Å
298W95Very high90.6Very high1 Ų116.4 Ų16.40%0.0048%0.077CC..G310 helixtrans-74.5-9.7175.1-56.2116.4000114.2L287 Q288 S295 I296 S306 L307 A308 L320 V374 F404 T570L287-W298 HydrophobicContact CB-CD2 3.96Å; L287-W298 HydrophobicContact CB-CG 3.95Å; L287-W298 HydrophobicContact CB-CZ2 4.2Å; L287-W298 HydrophobicContact CD1-CB 3.94Å; L287-W298 HydrophobicContact CD1-CD2 3.95Å; L287-W298 HydrophobicContact CD1-CE3 4.28Å; L287-W298 HydrophobicContact CD1-CG 3.8Å; Q288-W298 WeakPolarHBondContact O-CZ2 2.81Å; S295-W298 PolarHBondContact O-N 3.07Å; I296-W298 PolarHBondContact O-N 3.39Å; I296-W298 VanDerWaalsContact O-N 3.17Å; W298-S306 VanDerWaalsContact O-CB 3.31Å; W298-S306 WeakPolarHBondContact O-CB 3.06Å; W298-S306 PolarHBondContact O-OG 3.38Å; W298-L307 HydrophobicContact CE3-CB 4.16Å; W298-L307 HydrophobicContact CE3-CD2 3.99Å; W298-L307 HydrophobicContact CZ3-CD2 3.71Å; W298-A308 HydrophobicContact CB-CB 3.97Å; W298-A308 PolarHBondContact O-N 3.21Å; W298-L320 HydrophobicContact CB-CD2 4.25Å; W298-V374 HydrophobicContact CH2-CG1 4.2Å; W298-F404 AromaticContact CH2-CD2 3.84Å; W298-F404 HydrophobicContact CH2-CD2 3.84Å; W298-F404 HydrophobicContact CH2-CE2 4.23Å; W298-F404 AromaticContact CZ3-CD2 3.91Å; W298-F404 HydrophobicContact CZ3-CD2 3.91Å; W298-F404 HydrophobicContact CZ3-CE2 4.01Å; W298-T570 HydrophobicContact CZ3-CG2 4.37Å
299L90.9Very high90.4Very high0 Ų016.3 Ų16.30%08%0.076CC..G310 helixtrans-125.50.5-174-59.2170000113.3H239 I243 I268 I296 D297 N301 S306 A308 F309 L320H239-L299 HydrophobicContact CB-CD1 4.45Å; I243-L299 HydrophobicContact CD1-CD1 3.72Å; I243-L299 HydrophobicContact CG1-CD1 3.8Å; I243-L299 HydrophobicContact CG1-CD2 4.15Å; I268-L299 HydrophobicContact CD1-CD2 3.56Å; I296-L299 CarbonylContact O-C 3.58Å; I296-L299 WeakPolarHBondContact O-CA 3.48Å; I296-L299 PolarHBondContact O-N 3.45Å; D297-L299 PolarHBondContact O-N 2.73Å; L299-N301 PolarHBondContact O-N 3.49Å; L299-S306 VanDerWaalsContact C-OG 3.29Å; L299-S306 WeakPolarHBondContact CA-OG 3.47Å; L299-A308 HydrophobicContact CD2-CB 3.55Å; L299-A308 HydrophobicContact CG-CB 4.31Å; L299-F309 HydrophobicContact CB-CE2 4.3Å; L299-F309 HydrophobicContact CD2-CD2 3.94Å; L299-F309 HydrophobicContact CD2-CE1 4.21Å; L299-F309 HydrophobicContact CD2-CE2 3.58Å; L299-F309 HydrophobicContact CD2-CG 4.43Å; L299-F309 HydrophobicContact CD2-CZ 3.73Å; L299-L320 HydrophobicContact CD1-CD1 3.59Å; L299-L320 HydrophobicContact CD2-CD1 4.49Å; L299-L320 HydrophobicContact CG-CD1 4.07Å
300I85.1Confident90.4Very high2 Ų217.9 Ų17.91%0.019%0.085CC..SBendtrans-77.3-6.4-165.6-155.7163.9000113.9I296 D297 R480 V483 Y484 H487I296-I300 PolarHBondContact O-N 3.29Å; D297-I300 WeakPolarHBondContact O-CG2 3.39Å; I300-R480 VanDerWaalsContact O-CZ 3.28Å; I300-R480 PolarHBondContact O-NE 3.33Å; I300-R480 VanDerWaalsContact O-NE 3.12Å; I300-R480 PolarHBondContact O-NH2 3.06Å; I300-V483 HydrophobicContact CG1-CG1 4.07Å; I300-Y484 HydrophobicContact CD1-CD1 3.83Å; I300-Y484 HydrophobicContact CG1-CD1 3.8Å; I300-Y484 HydrophobicContact CG1-CE1 4.21Å; I300-Y484 HydrophobicContact CG2-CD1 4.09Å; I300-Y484 HydrophobicContact CG2-CE1 3.98Å; I300-H487 HydrophobicContact CD1-CB 3.77Å
301N87.9Confident90.5Very high1 Ų117.9 Ų17.91%0.0059%0.085CC..SBendtrans-103.4-168.1172-78.7-29.3000110.4L299 Q305 S306 Y484 W571L299-N301 PolarHBondContact O-N 3.49Å; N301-Q305 HydrophobicContact CB-CB 3.72Å; N301-S306 WeakPolarHBondContact CA-OG 3.29Å; N301-S306 WeakPolarHBondContact CB-OG 3.27Å; N301-S306 PolarHBondContact N-OG 3.41Å; N301-Y484 WeakPolarHBondContact OD1-CE1 3.27Å; N301-Y484 PolarHBondContact OD1-OH 3.22Å; N301-W571 PolarHBondContact ND2-O 3.46Å
302R86.2Confident90.8Very high105 Ų10516.7 Ų16.740%0.3968%0.079SC..  trans-75.8163.5171.3-76.9178.7-74.7-111.5-2.7110.3D304 Q305 S306R302-D304 VanDerWaalsContact C-N 3.28Å; R302-D304 WeakPolarHBondContact CB-OD1 3.11Å; R302-D304 PolarHBondContact O-N 3.09Å; R302-Q305 CarbonylContact O-C 3.56Å; R302-Q305 WeakPolarHBondContact O-CA 3.47Å; R302-Q305 PolarHBondContact O-N 3.44Å; R302-S306 WeakPolarHBondContact O-CB 3.13Å; R302-S306 PolarHBondContact O-N 2.85Å; R302-S306 VanDerWaalsContact O-N 3.13Å
303P88.5Confident91.3Very high26 Ų2620.5 Ų20.517%0.16910%0.097CC..G310 helixtrans-53.6-38-178.9-30.337.7000115.6H246 Y248 Q305 F309H246-P303 HydrophobicContact CB-CG 3.65Å; H246-P303 WeakPolarHBondContact ND1-CG 3.21Å; Y248-P303 HydrophobicContact CE2-CB 4.44Å; P303-Q305 PolarHBondContact O-N 2.8Å; P303-F309 HydrophobicContact CB-CB 4.04Å; P303-F309 HydrophobicContact CB-CD2 4.12Å; P303-F309 HydrophobicContact CB-CG 4Å; P303-F309 HydrophobicContact CG-CD2 4.31Å; P303-F309 HydrophobicContact CG-CE2 4.43Å; P303-F309 HydrophobicContact CG-CG 4.49Å; P303-F309 VanDerWaalsContact O-CB 3.25Å; P303-F309 WeakPolarHBondContact O-CB 3.19Å
304D89.9Confident91.7Very high90 Ų9022.3 Ų22.348%0.48112%0.117SC..G310 helixtrans-72.2-5.6176.161.6-47.7000113.7R302R302-D304 VanDerWaalsContact C-N 3.28Å; R302-D304 WeakPolarHBondContact CB-OD1 3.11Å; R302-D304 PolarHBondContact O-N 3.09Å
305Q92Very high91.7Very high27 Ų2724 Ų2413%0.12613%0.134CC..G310 helixtrans-128.85.9-170.8-62.1-179.4-34.900113.6N301 R302 P303 V576N301-Q305 HydrophobicContact CB-CB 3.72Å; R302-Q305 CarbonylContact O-C 3.56Å; R302-Q305 WeakPolarHBondContact O-CA 3.47Å; R302-Q305 PolarHBondContact O-N 3.44Å; P303-Q305 PolarHBondContact O-N 2.8Å; Q305-V576 HydrophobicContact CB-CG2 4.24Å; Q305-V576 HydrophobicContact CG-CG2 4.39Å
306S94.7Very high91.7Very high1 Ų125.1 Ų25.11%0.00714%0.139CC..  trans-127121.9-173.7-95.30000109.6W298 L299 N301 R302 A308 F309 L310W298-S306 VanDerWaalsContact O-CB 3.31Å; W298-S306 WeakPolarHBondContact O-CB 3.06Å; W298-S306 PolarHBondContact O-OG 3.38Å; L299-S306 VanDerWaalsContact C-OG 3.29Å; L299-S306 WeakPolarHBondContact CA-OG 3.47Å; N301-S306 WeakPolarHBondContact CA-OG 3.29Å; N301-S306 WeakPolarHBondContact CB-OG 3.27Å; N301-S306 PolarHBondContact N-OG 3.41Å; R302-S306 WeakPolarHBondContact O-CB 3.13Å; R302-S306 PolarHBondContact O-N 2.85Å; R302-S306 VanDerWaalsContact O-N 3.13Å; S306-A308 VanDerWaalsContact C-N 3.27Å; S306-A308 PolarHBondContact O-N 3.34Å; S306-A308 VanDerWaalsContact O-N 3.17Å; S306-F309 PolarHBondContact O-N 2.8Å; S306-L310 PolarHBondContact O-N 2.76Å; S306-L310 VanDerWaalsContact O-N 3.11Å
307L96.9Very high91.9Very high0 Ų025.1 Ų25.10%014%0.139CC..Hα-helixtrans-55-41-170.7-176.359.6000113.8L287 W298 F309 L310 L311 F404 Y580 F583L287-L307 HydrophobicContact CD2-CD2 4.42Å; W298-L307 HydrophobicContact CE3-CB 4.16Å; W298-L307 HydrophobicContact CE3-CD2 3.99Å; W298-L307 HydrophobicContact CZ3-CD2 3.71Å; L307-F309 VanDerWaalsContact C-N 3.26Å; L307-F309 PolarHBondContact O-N 2.82Å; L307-L310 PolarHBondContact O-N 3.22Å; L307-L311 HydrophobicContact CD1-CD1 4.27Å; L307-L311 HydrophobicContact CD1-CG 4.2Å; L307-L311 HydrophobicContact CD2-CD1 4.47Å; L307-L311 HydrophobicContact CG-CD1 3.88Å; L307-L311 HydrophobicContact CG-CG 4.3Å; L307-L311 WeakPolarHBondContact O-CB 3.33Å; L307-L311 WeakPolarHBondContact O-CG 3.32Å; L307-L311 PolarHBondContact O-N 2.85Å; L307-F404 HydrophobicContact CD2-CE2 3.5Å; L307-F404 HydrophobicContact CD2-CZ 4.08Å; L307-Y580 HydrophobicContact CB-CD2 4.37Å; L307-Y580 HydrophobicContact CB-CE1 4.2Å; L307-Y580 HydrophobicContact CB-CE2 3.87Å; L307-Y580 HydrophobicContact CD1-CD1 4.06Å; L307-Y580 HydrophobicContact CD1-CD2 4.25Å; L307-Y580 HydrophobicContact CD1-CE1 4.39Å; L307-Y580 HydrophobicContact CD1-CG 4Å; L307-Y580 HydrophobicContact CD2-CD1 4.46Å; L307-Y580 HydrophobicContact CD2-CE1 4.15Å; L307-F583 HydrophobicContact CD1-CD1 3.88Å; L307-F583 HydrophobicContact CD1-CE1 3.72Å; L307-F583 HydrophobicContact CD2-CE1 4.27Å; L307-F583 HydrophobicContact CG-CE1 4.44Å
308A96.2Very high92.2Very high0 Ų025.1 Ų25.10%014%0.138CC..Hα-helixtrans-62-35.4-179.300000112.3I268 L287 W298 L299 S306 A312 V318 L320I268-A308 HydrophobicContact CD1-CB 3.91Å; L287-A308 HydrophobicContact CD1-CB 3.86Å; W298-A308 HydrophobicContact CB-CB 3.97Å; W298-A308 PolarHBondContact O-N 3.21Å; L299-A308 HydrophobicContact CD2-CB 3.55Å; L299-A308 HydrophobicContact CG-CB 4.31Å; S306-A308 VanDerWaalsContact C-N 3.27Å; S306-A308 PolarHBondContact O-N 3.34Å; S306-A308 VanDerWaalsContact O-N 3.17Å; A308-A312 VanDerWaalsContact O-CB 3.32Å; A308-A312 WeakPolarHBondContact O-CB 3.37Å; A308-A312 PolarHBondContact O-N 3.08Å; A308-A312 VanDerWaalsContact O-N 3.07Å; A308-V318 HydrophobicContact CB-CG1 4.08Å; A308-L320 HydrophobicContact CB-CD2 3.96Å
309F94.1Very high92.4Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-74.9-37.4174.9-69.6-60.4000112.3I242 I243 H246 Y248 L299 P303 S306 L307 A312 Q313I242-F309 HydrophobicContact CG2-CE2 4.42Å; I242-F309 HydrophobicContact CG2-CZ 4.21Å; I243-F309 HydrophobicContact CG1-CE1 4.32Å; I243-F309 HydrophobicContact CG1-CZ 4.28Å; H246-F309 HydrophobicContact CB-CE1 4.15Å; H246-F309 HydrophobicContact CB-CZ 4.15Å; H246-F309 AromaticContact CD2-CZ 3.82Å; Y248-F309 HydrophobicContact CD1-CD1 4.23Å; Y248-F309 AromaticContact CD2-CD1 3.51Å; Y248-F309 HydrophobicContact CD2-CD1 3.51Å; Y248-F309 AromaticContact CD2-CE1 3.55Å; Y248-F309 HydrophobicContact CD2-CE1 3.55Å; Y248-F309 HydrophobicContact CE1-CD1 4.17Å; Y248-F309 AromaticContact CE2-CD1 3.46Å; Y248-F309 HydrophobicContact CE2-CD1 3.46Å; Y248-F309 VanDerWaalsContact CE2-CD1 3.46Å; Y248-F309 AromaticContact CE2-CE1 3.93Å; Y248-F309 HydrophobicContact CE2-CE1 3.93Å; Y248-F309 HydrophobicContact CE2-CG 4.32Å; Y248-F309 AromaticContact CG-CD1 3.92Å; Y248-F309 HydrophobicContact CG-CD1 3.92Å; Y248-F309 HydrophobicContact CG-CE1 4.01Å; Y248-F309 AromaticContact CZ-CD1 3.79Å; L299-F309 HydrophobicContact CB-CE2 4.3Å; L299-F309 HydrophobicContact CD2-CD2 3.94Å; L299-F309 HydrophobicContact CD2-CE1 4.21Å; L299-F309 HydrophobicContact CD2-CE2 3.58Å; L299-F309 HydrophobicContact CD2-CG 4.43Å; L299-F309 HydrophobicContact CD2-CZ 3.73Å; P303-F309 HydrophobicContact CB-CB 4.04Å; P303-F309 HydrophobicContact CB-CD2 4.12Å; P303-F309 HydrophobicContact CB-CG 4Å; P303-F309 HydrophobicContact CG-CD2 4.31Å; P303-F309 HydrophobicContact CG-CE2 4.43Å; P303-F309 HydrophobicContact CG-CG 4.49Å; P303-F309 VanDerWaalsContact O-CB 3.25Å; P303-F309 WeakPolarHBondContact O-CB 3.19Å; S306-F309 PolarHBondContact O-N 2.8Å; L307-F309 VanDerWaalsContact C-N 3.26Å; L307-F309 PolarHBondContact O-N 2.82Å; F309-A312 PolarHBondContact O-N 2.85Å; F309-Q313 VanDerWaalsContact O-CB 3.22Å; F309-Q313 WeakPolarHBondContact O-CB 3.24Å; F309-Q313 PolarHBondContact O-N 3.33Å
310L94.6Very high92.7Very high35 Ų3525 Ų2518%0.18314%0.138CC..Hα-helixtrans-61.7-45.4174.7-64175.2000111.5S306 L307 Q313 A314 V576 Y580S306-L310 PolarHBondContact O-N 2.76Å; S306-L310 VanDerWaalsContact O-N 3.11Å; L307-L310 PolarHBondContact O-N 3.22Å; L310-Q313 PolarHBondContact O-N 3.25Å; L310-A314 WeakPolarHBondContact O-CB 3.34Å; L310-A314 PolarHBondContact O-N 3.36Å; L310-V576 HydrophobicContact CD1-CG1 4.23Å; L310-Y580 HydrophobicContact CD1-CD2 3.74Å; L310-Y580 HydrophobicContact CD1-CG 4.49Å
311L95.3Very high93.2Very high0 Ų025 Ų250%014%0.138CC..Hα-helixtrans-62.5-47.3174.7-76.4167.3000112.1V285 L287 L307 Q313 A314 G315 Y316 V318 F583 M584 L587V285-L311 HydrophobicContact CB-CD1 4.37Å; V285-L311 HydrophobicContact CG1-CD1 3.81Å; V285-L311 HydrophobicContact CG1-CD2 4.37Å; V285-L311 HydrophobicContact CG2-CD2 4.29Å; L287-L311 HydrophobicContact CD1-CD1 4.1Å; L287-L311 HydrophobicContact CD2-CD1 3.81Å; L287-L311 HydrophobicContact CG-CD1 4.4Å; L307-L311 HydrophobicContact CD1-CD1 4.27Å; L307-L311 HydrophobicContact CD1-CG 4.2Å; L307-L311 HydrophobicContact CD2-CD1 4.47Å; L307-L311 HydrophobicContact CG-CD1 3.88Å; L307-L311 HydrophobicContact CG-CG 4.3Å; L307-L311 WeakPolarHBondContact O-CB 3.33Å; L307-L311 WeakPolarHBondContact O-CG 3.32Å; L307-L311 PolarHBondContact O-N 2.85Å; L311-Q313 VanDerWaalsContact C-N 3.27Å; L311-Q313 PolarHBondContact O-N 3.15Å; L311-A314 CarbonylContact O-C 3.55Å; L311-A314 PolarHBondContact O-N 3.42Å; L311-G315 PolarHBondContact O-N 3.17Å; L311-G315 VanDerWaalsContact O-N 3.15Å; L311-Y316 HydrophobicContact CB-CD2 4.47Å; L311-Y316 HydrophobicContact CD2-CD2 3.69Å; L311-Y316 HydrophobicContact CD2-CE2 4.15Å; L311-Y316 HydrophobicContact CD2-CG 4.12Å; L311-Y316 PolarHBondContact O-N 3.26Å; L311-Y316 VanDerWaalsContact O-N 3.08Å; L311-V318 HydrophobicContact CB-CG2 3.51Å; L311-F583 HydrophobicContact CD1-CE1 4.48Å; L311-F583 HydrophobicContact CD2-CE1 3.98Å; L311-F583 HydrophobicContact CD2-CZ 4.32Å; L311-F583 HydrophobicContact CG-CE1 4.43Å; L311-M584 HydrophobicContact CD2-CE 4.25Å; L311-M584 HydrophobicContact CD2-SD 3.64Å; L311-M584 HydrophobicContact CG-SD 4.22Å; L311-L587 HydrophobicContact CD2-CD2 3.5Å; L311-L587 VanDerWaalsContact CD2-CD2 3.5Å
312A93Very high93.6Very high4 Ų424.9 Ų24.93%0.03314%0.138CC..Hα-helixtrans-63.4-35.2178.200000111.9Y248 I268 A308 F309 G315 V318Y248-A312 HydrophobicContact CD1-CB 3.96Å; Y248-A312 HydrophobicContact CE1-CB 3.87Å; I268-A312 HydrophobicContact CB-CB 4.43Å; I268-A312 HydrophobicContact CG2-CB 3.71Å; A308-A312 VanDerWaalsContact O-CB 3.32Å; A308-A312 WeakPolarHBondContact O-CB 3.37Å; A308-A312 PolarHBondContact O-N 3.08Å; A308-A312 VanDerWaalsContact O-N 3.07Å; F309-A312 PolarHBondContact O-N 2.85Å; A312-G315 PolarHBondContact O-N 2.95Å; A312-V318 HydrophobicContact CB-CG2 4.08Å
313Q90.3Very high94.1Very high116 Ų11620.2 Ų20.254%0.54212%0.12SC..Hα-helixtrans-68.9-36.6174.8-179.9167.8-1700112.3F309 L310 L311 G315F309-Q313 VanDerWaalsContact O-CB 3.22Å; F309-Q313 WeakPolarHBondContact O-CB 3.24Å; F309-Q313 PolarHBondContact O-N 3.33Å; L310-Q313 PolarHBondContact O-N 3.25Å; L311-Q313 VanDerWaalsContact C-N 3.27Å; L311-Q313 PolarHBondContact O-N 3.15Å; Q313-G315 PolarHBondContact O-N 3.37Å
314A91.1Very high94.5Very high60 Ų6019 Ų1950%0.49611%0.113SC..THydrogen-bonded Turntrans-72.3-6.1172.800000113.6L310 L311 Y316 M584L310-A314 WeakPolarHBondContact O-CB 3.34Å; L310-A314 PolarHBondContact O-N 3.36Å; L311-A314 CarbonylContact O-C 3.55Å; L311-A314 PolarHBondContact O-N 3.42Å; A314-Y316 HydrophobicContact CB-CD2 3.97Å; A314-Y316 HydrophobicContact CB-CE2 4.09Å; A314-M584 HydrophobicContact CB-CE 3.47Å; A314-M584 VanDerWaalsContact CB-CE 3.47Å
315G90.6Very high94.5Very high35 Ų3514.8 Ų14.836%0.3619%0.09SC..THydrogen-bonded Turntrans94.111.8173.800000115R276 L311 A312 Q313R276-G315 PolarHBondContact NH2-O 3.35Å; L311-G315 PolarHBondContact O-N 3.17Å; L311-G315 VanDerWaalsContact O-N 3.15Å; A312-G315 PolarHBondContact O-N 2.95Å; Q313-G315 PolarHBondContact O-N 3.37Å
316Y93.1Very high94.3Very high24 Ų2413.6 Ų13.69%0.0948%0.084CC..  trans-71.8158.1170.6-68.5-82.4000111.7Q283 V285 L311 A314 M584 L587Q283-Y316 HydrophobicContact CB-CD1 4.04Å; Q283-Y316 HydrophobicContact CB-CE1 4.24Å; Q283-Y316 HydrophobicContact CG-CD1 4.48Å; Q283-Y316 HydrophobicContact CG-CE1 4.49Å; Q283-Y316 WeakPolarHBondContact O-CD1 3.48Å; V285-Y316 HydrophobicContact CG2-CD1 3.4Å; V285-Y316 HydrophobicContact CG2-CE1 4.1Å; V285-Y316 HydrophobicContact CG2-CG 3.74Å; L311-Y316 HydrophobicContact CB-CD2 4.47Å; L311-Y316 HydrophobicContact CD2-CD2 3.69Å; L311-Y316 HydrophobicContact CD2-CE2 4.15Å; L311-Y316 HydrophobicContact CD2-CG 4.12Å; L311-Y316 PolarHBondContact O-N 3.26Å; L311-Y316 VanDerWaalsContact O-N 3.08Å; A314-Y316 HydrophobicContact CB-CD2 3.97Å; A314-Y316 HydrophobicContact CB-CE2 4.09Å; Y316-M584 HydrophobicContact CE2-CE 4.1Å; Y316-L587 HydrophobicContact CD2-CD2 4.37Å; Y316-L587 HydrophobicContact CE1-CD2 3.93Å; Y316-L587 HydrophobicContact CE1-CG 4.27Å; Y316-L587 HydrophobicContact CE2-CD2 3.79Å
317D94.2Very high93.6Very high0 Ų014.4 Ų14.40%09%0.09CC..EExtended strand (participates in β ladder)trans-93.3106.6167-170.312.5000108.7R267 G282 Q283 P284 V285 W319 T366R267-D317 IonicContact CZ-OD1 3.88Å; R267-D317 IonicContact CZ-OD2 3.77Å; R267-D317 IonicContact NE-OD1 3.22Å; R267-D317 PolarHBondContact NE-OD1 2.88Å; R267-D317 IonicContact NE-OD2 3.81Å; R267-D317 PolarHBondContact NE-OD2 3.07Å; R267-D317 IonicContact NH2-OD1 2.95Å; R267-D317 PolarHBondContact NH2-OD1 3.32Å; R267-D317 IonicContact NH2-OD2 3.23Å; R267-D317 PolarHBondContact NH2-OD2 3.41Å; G282-D317 VanDerWaalsContact O-CB 3.23Å; G282-D317 WeakPolarHBondContact O-CB 3.45Å; Q283-D317 PolarHBondContact O-N 2.85Å; P284-D317 CarbonylContact C-O 3.55Å; P284-D317 VanDerWaalsContact CA-O 3.27Å; P284-D317 WeakPolarHBondContact CA-O 3.5Å; V285-D317 PolarHBondContact N-O 3.13Å; D317-W319 PolarHBondContact OD2-NE1 3.07Å; D317-T366 VanDerWaalsContact OD2-CG2 3.28Å; D317-T366 WeakPolarHBondContact OD2-CG2 3.46Å
318V97.1Very high93Very high0 Ų016 Ų160%010%0.096CC..EExtended strand (participates in β ladder)trans-98.2122.9-166.1-174.20000110.1R267 I268 L287 A308 L311 A312 L320R267-V318 CarbonylContact C-O 3.58Å; R267-V318 VanDerWaalsContact CA-O 3.32Å; R267-V318 WeakPolarHBondContact CA-O 3.34Å; I268-V318 HydrophobicContact CB-CB 4.21Å; I268-V318 PolarHBondContact N-O 2.99Å; I268-V318 PolarHBondContact O-N 3.08Å; L287-V318 HydrophobicContact CD1-CG1 3.91Å; L287-V318 HydrophobicContact CG-CG1 4.21Å; A308-V318 HydrophobicContact CB-CG1 4.08Å; L311-V318 HydrophobicContact CB-CG2 3.51Å; A312-V318 HydrophobicContact CB-CG2 4.08Å; V318-L320 HydrophobicContact CG1-CD2 3.86Å
319W97.9Very high92.8Very high0 Ų016 Ų160%010%0.096CC..EExtended strand (participates in β ladder)trans-115.1131.3178.6-70.782.3000110.3H253 M265 R267 V285 F286 L287 D317 Y361 V362 F365 T366H253-W319 HydrophobicContact CB-CZ3 4.18Å; H253-W319 AromaticContact CD2-CH2 3.86Å; H253-W319 AromaticContact CD2-CZ3 3.58Å; H253-W319 AromaticContact CE1-CH2 3.87Å; H253-W319 AromaticContact CG-CZ3 3.73Å; H253-W319 AromaticContact NE2-CH2 3.77Å; H253-W319 AromaticContact NE2-CZ3 3.98Å; M265-W319 HydrophobicContact CB-CE3 4.48Å; M265-W319 HydrophobicContact CE-CE3 3.99Å; M265-W319 HydrophobicContact CE-CZ3 3.87Å; R267-W319 HydrophobicContact CB-CD2 4.08Å; R267-W319 HydrophobicContact CB-CE3 4Å; R267-W319 HydrophobicContact CB-CH2 4.34Å; R267-W319 HydrophobicContact CB-CZ2 4.39Å; R267-W319 HydrophobicContact CB-CZ3 4.14Å; R267-W319 VanDerWaalsContact CD-CZ2 3.47Å; R267-W319 HydrophobicContact CG-CD2 3.98Å; R267-W319 HydrophobicContact CG-CE3 4.37Å; R267-W319 HydrophobicContact CG-CH2 4.37Å; R267-W319 HydrophobicContact CG-CZ2 3.94Å; V285-W319 PolarHBondContact O-N 2.03Å; F286-W319 CarbonylContact C-O 3.45Å; F286-W319 WeakPolarHBondContact CA-O 3.21Å; F286-W319 HydrophobicContact CD2-CB 3.8Å; F286-W319 HydrophobicContact CE2-CB 4.4Å; L287-W319 PolarHBondContact N-O 2.95Å; D317-W319 PolarHBondContact OD2-NE1 3.07Å; W319-Y361 HydrophobicContact CH2-CD1 4.36Å; W319-Y361 HydrophobicContact CH2-CE1 4.03Å; W319-Y361 HydrophobicContact CZ3-CD1 4.23Å; W319-Y361 HydrophobicContact CZ3-CE1 4.04Å; W319-V362 HydrophobicContact CB-CG2 4.2Å; W319-V362 HydrophobicContact CD2-CB 4.34Å; W319-V362 HydrophobicContact CD2-CG1 4.02Å; W319-V362 HydrophobicContact CD2-CG2 3.47Å; W319-V362 VanDerWaalsContact CD2-CG2 3.47Å; W319-V362 HydrophobicContact CE3-CG2 3.53Å; W319-V362 HydrophobicContact CG-CG1 3.92Å; W319-V362 HydrophobicContact CG-CG2 3.79Å; W319-V362 HydrophobicContact CH2-CG2 4.41Å; W319-V362 HydrophobicContact CZ2-CG1 4.43Å; W319-V362 HydrophobicContact CZ2-CG2 4.39Å; W319-V362 HydrophobicContact CZ3-CG2 4.01Å; W319-F365 HydrophobicContact CH2-CB 4.35Å; W319-F365 AromaticContact CH2-CD1 3.81Å; W319-F365 HydrophobicContact CH2-CD1 3.81Å; W319-F365 HydrophobicContact CH2-CE1 4.37Å; W319-F365 HydrophobicContact CH2-CG 4.03Å; W319-F365 HydrophobicContact CZ2-CB 4.49Å; W319-F365 AromaticContact CZ2-CD1 3.62Å; W319-F365 HydrophobicContact CZ2-CD1 3.62Å; W319-F365 HydrophobicContact CZ2-CE1 4.22Å; W319-F365 HydrophobicContact CZ2-CG 4.22Å; W319-T366 HydrophobicContact CZ2-CG2 3.87Å
320L97.6Very high92.6Very high0 Ų017.7 Ų17.70%010%0.103CC..EExtended strand (participates in β ladder)trans-112.9111.9-177-45178.2000109.4M265 Q266 I268 L287 S295 W298 L299 A308 V318M265-L320 WeakPolarHBondContact CA-O 3.32Å; Q266-L320 HydrophobicContact CB-CB 4.38Å; Q266-L320 HydrophobicContact CB-CD1 4.24Å; Q266-L320 PolarHBondContact N-O 3.08Å; Q266-L320 WeakPolarHBondContact O-CB 3.44Å; Q266-L320 PolarHBondContact O-N 3.01Å; I268-L320 HydrophobicContact CD1-CD1 4.29Å; L287-L320 HydrophobicContact CB-CD2 3.96Å; L287-L320 HydrophobicContact CD1-CD2 3.65Å; L287-L320 HydrophobicContact CG-CD2 4.03Å; S295-L320 VanDerWaalsContact CB-CB 3.48Å; W298-L320 HydrophobicContact CB-CD2 4.25Å; L299-L320 HydrophobicContact CD1-CD1 3.59Å; L299-L320 HydrophobicContact CD2-CD1 4.49Å; L299-L320 HydrophobicContact CG-CD1 4.07Å; A308-L320 HydrophobicContact CB-CD2 3.96Å; V318-L320 HydrophobicContact CG1-CD2 3.86Å
321G96.9Very high92.4Very high0 Ų020.6 Ų20.60%012%0.116CC..EExtended strand (participates in β ladder)trans-81146.2-177.400000113.1F286 L287 H289F286-G321 VanDerWaalsContact CZ-CA 3.45Å; L287-G321 PolarHBondContact O-N 2.84Å; H289-G321 PolarHBondContact CD2-O 2.69Å; H289-G321 VanDerWaalsContact CD2-O 3.24Å
322N95.9Very high92.5Very high0 Ų021.9 Ų21.90%012%0.122CC..  trans-132.8118.3167.9-67.1-66.7000110.3K264 Q266 S294 S295 N326 S329K264-N322 VanDerWaalsContact O-CB 3.23Å; K264-N322 WeakPolarHBondContact O-CB 3.35Å; K264-N322 PolarHBondContact O-ND2 3.23Å; Q266-N322 PolarHBondContact OE1-ND2 3.44Å; S294-N322 WeakPolarHBondContact CB-OD1 3.28Å; S295-N322 PolarHBondContact N-OD1 2.89Å; S295-N322 PolarHBondContact OG-ND2 3.04Å; S295-N322 PolarHBondContact OG-OD1 3.21Å; N322-N326 VanDerWaalsContact CB-ND2 3.34Å; N322-N326 WeakPolarHBondContact CB-ND2 3.07Å; N322-N326 PolarHBondContact OD1-ND2 3.18Å; N322-S329 WeakPolarHBondContact CB-OG 3.16Å; N322-S329 PolarHBondContact O-OG 3.17Å
323V96.1Very high92.6Very high6 Ų627.2 Ų27.24%0.03615%0.149CC..  trans-76.4159.2178.8-62.50000112.5G325 N326 S329 M350 D354 I382V323-G325 PolarHBondContact O-N 3.11Å; V323-N326 PolarHBondContact O-N 2.99Å; V323-S329 VanDerWaalsContact O-CB 3.26Å; V323-S329 WeakPolarHBondContact O-CB 3.47Å; V323-M350 HydrophobicContact CB-CE 4.36Å; V323-M350 HydrophobicContact CB-CG 4.03Å; V323-M350 HydrophobicContact CB-SD 3.76Å; V323-M350 HydrophobicContact CG1-CB 4.23Å; V323-M350 HydrophobicContact CG1-CG 4.25Å; V323-M350 HydrophobicContact CG1-SD 4.05Å; V323-M350 HydrophobicContact CG2-CE 3.97Å; V323-M350 HydrophobicContact CG2-SD 3.66Å; V323-D354 WeakPolarHBondContact CA-OD2 3.38Å; V323-I382 HydrophobicContact CG1-CD1 3.99Å
324R96.2Very high92.8Very high2 Ų225.8 Ų25.81%0.00815%0.151CC..THydrogen-bonded Turntrans-46.5137.2177.564.4-175.962.4-154.2-9.8112.8D259 Y261 L263 N326 F345 M350 Y353 D354D259-R324 IonicContact OD1-CZ 3.75Å; D259-R324 IonicContact OD1-NH1 3.64Å; D259-R324 IonicContact OD1-NH2 3.63Å; D259-R324 PolarHBondContact OD1-NH2 3.42Å; D259-R324 IonicContact OD2-CZ 3.01Å; D259-R324 IonicContact OD2-NH1 2.93Å; D259-R324 PolarHBondContact OD2-NH1 3.17Å; D259-R324 IonicContact OD2-NH2 2.69Å; D259-R324 PolarHBondContact OD2-NH2 3.32Å; Y261-R324 HydrophobicContact CD1-CB 3.65Å; Y261-R324 HydrophobicContact CE1-CB 4.14Å; Y261-R324 HydrophobicContact CG-CB 3.98Å; L263-R324 HydrophobicContact CD2-CB 4.07Å; R324-N326 VanDerWaalsContact C-N 3.28Å; R324-N326 PolarHBondContact O-N 3.07Å; R324-F345 VanDerWaalsContact CD-CD2 3.5Å; R324-F345 HydrophobicContact CG-CD1 4.12Å; R324-F345 HydrophobicContact CG-CD2 3.64Å; R324-F345 HydrophobicContact CG-CE1 4.16Å; R324-F345 HydrophobicContact CG-CE2 3.71Å; R324-F345 HydrophobicContact CG-CG 3.88Å; R324-F345 HydrophobicContact CG-CZ 3.98Å; R324-M350 HydrophobicContact CG-CE 4.15Å; R324-M350 HydrophobicContact CG-CG 4.13Å; R324-Y353 VanDerWaalsContact NH2-CB 3.33Å; R324-D354 WeakPolarHBondContact CB-OD2 3.27Å; R324-D354 VanDerWaalsContact CG-OD2 3.27Å; R324-D354 WeakPolarHBondContact CG-OD2 3.37Å; R324-D354 IonicContact CZ-OD1 3.73Å; R324-D354 PolarHBondContact N-OD2 2.73Å; R324-D354 VanDerWaalsContact NE-CG 3.34Å; R324-D354 IonicContact NE-OD1 2.64Å; R324-D354 PolarHBondContact NE-OD1 3.31Å; R324-D354 IonicContact NE-OD2 2.65Å; R324-D354 PolarHBondContact NE-OD2 2.98Å; R324-D354 IonicContact NH2-OD1 3.58Å; R324-D354 PolarHBondContact NH2-OD1 2.92Å
325G90.4Very high92.9Very high0 Ų024 Ų240%013%0.133CC..THydrogen-bonded Turntrans78.7-4.9173.500000116.4V323 S329 K330V323-G325 PolarHBondContact O-N 3.11Å; G325-S329 PolarHBondContact N-O 2.9Å; G325-K330 WeakPolarHBondContact O-CE 3.46Å
326N88.4Confident92.8Very high2 Ų226 Ų261%0.01114%0.136CC..SBendtrans-72.8172.8167.491.4-1000111H289 N322 V323 R324 Y328 S329 K330 D490H289-N326 PolarHBondContact NE2-ND2 3.06Å; N322-N326 VanDerWaalsContact CB-ND2 3.34Å; N322-N326 WeakPolarHBondContact CB-ND2 3.07Å; N322-N326 PolarHBondContact OD1-ND2 3.18Å; V323-N326 PolarHBondContact O-N 2.99Å; R324-N326 VanDerWaalsContact C-N 3.28Å; R324-N326 PolarHBondContact O-N 3.07Å; N326-Y328 PolarHBondContact O-N 3.39Å; N326-Y328 PolarHBondContact OD1-N 2.8Å; N326-S329 PolarHBondContact O-N 3.31Å; N326-S329 PolarHBondContact OD1-N 3.36Å; N326-K330 VanDerWaalsContact C-CE 3.48Å; N326-K330 WeakPolarHBondContact O-CE 3.07Å; N326-K330 VanDerWaalsContact O-CG 3.27Å; N326-K330 WeakPolarHBondContact O-CG 3.41Å; N326-D490 CarbonylContact C-O 3.58Å; N326-D490 WeakPolarHBondContact CA-O 3.45Å; N326-D490 HydrophobicContact CB-CB 4.33Å
327T80.2Confident92.5Very high19 Ų1926.9 Ų26.912%0.11714%0.144CC..SBendtrans-49.6-31.7-177.1-83.70000115.3R442 D490T327-R442 PolarHBondContact OG1-NH2 3.21Å; T327-D490 WeakPolarHBondContact CB-OD1 3.48Å; T327-D490 PolarHBondContact N-O 3.4Å; T327-D490 VanDerWaalsContact N-O 3.11Å; T327-D490 PolarHBondContact OG1-OD1 3.48Å
328Y84.5Confident91.9Very high33 Ų3331.6 Ų31.613%0.12917%0.173CC..SBendtrans-97.5-29.5-172.8-54-81.3000112.2E238 H239 K264 S294 N326E238-Y328 PolarHBondContact OE2-OH 3.12Å; H239-Y328 AromaticContact CE1-CD1 3.66Å; H239-Y328 AromaticContact CE1-CD2 3.79Å; H239-Y328 AromaticContact CE1-CE1 3.22Å; H239-Y328 WeakPolarHBondContact CE1-CE1 3.45Å; H239-Y328 AromaticContact CE1-CE2 3.4Å; H239-Y328 VanDerWaalsContact CE1-CE2 3.4Å; H239-Y328 WeakPolarHBondContact CE1-CE2 3.28Å; H239-Y328 AromaticContact CE1-CG 3.92Å; H239-Y328 AromaticContact CE1-CZ 3.06Å; H239-Y328 PolarHBondContact CE1-OH 3.03Å; H239-Y328 AromaticContact ND1-CD1 3.85Å; H239-Y328 AromaticContact ND1-CE1 3.34Å; H239-Y328 VanDerWaalsContact ND1-CE1 3.34Å; H239-Y328 WeakPolarHBondContact ND1-CE1 3.15Å; H239-Y328 AromaticContact ND1-CZ 3.61Å; K264-Y328 VanDerWaalsContact CG-O 3.27Å; K264-Y328 WeakPolarHBondContact CG-O 3.45Å; S294-Y328 VanDerWaalsContact OG-CE2 3.23Å; S294-Y328 WeakPolarHBondContact OG-CE2 3.21Å; N326-Y328 PolarHBondContact O-N 3.39Å; N326-Y328 PolarHBondContact OD1-N 2.8Å
329S92.2Very high91.3Very high0 Ų035.3 Ų35.30%019%0.191CC..  trans-109.648.8-175.9-60.90000112.3L263 K264 N322 V323 G325 N326L263-S329 WeakPolarHBondContact CA-OG 3.33Å; K264-S329 PolarHBondContact N-OG 3.26Å; N322-S329 WeakPolarHBondContact CB-OG 3.16Å; N322-S329 PolarHBondContact O-OG 3.17Å; V323-S329 VanDerWaalsContact O-CB 3.26Å; V323-S329 WeakPolarHBondContact O-CB 3.47Å; G325-S329 PolarHBondContact N-O 2.9Å; N326-S329 PolarHBondContact O-N 3.31Å; N326-S329 PolarHBondContact OD1-N 3.36Å
330K88.7Confident90.7Very high36 Ų3640.5 Ų40.516%0.15721%0.214CC..  trans-98.143.2177.4-89.5167.7-156.4178.70112.9G325 N326 P337 W343 E437 D490G325-K330 WeakPolarHBondContact O-CE 3.46Å; N326-K330 VanDerWaalsContact C-CE 3.48Å; N326-K330 WeakPolarHBondContact O-CE 3.07Å; N326-K330 VanDerWaalsContact O-CG 3.27Å; N326-K330 WeakPolarHBondContact O-CG 3.41Å; K330-P337 HydrophobicContact CB-CG 4.46Å; K330-P337 WeakPolarHBondContact O-CG 3.44Å; K330-W343 HydrophobicContact CD-CH2 4.35Å; K330-W343 HydrophobicContact CG-CH2 4.21Å; K330-E437 WeakPolarHBondContact CE-OE1 3.5Å; K330-E437 IonicContact NZ-OE1 3.25Å; K330-E437 PolarHBondContact NZ-OE1 3.49Å; K330-D490 PolarHBondContact NZ-O 3.36Å
331Q91.6Very high90.3Very high96 Ų9648.9 Ų48.945%0.44925%0.246SC..EExtended strand (participates in β ladder)trans-134.5151.5-178.1-70.7-175.4-40.500111I262I262-Q331 HydrophobicContact CB-CB 3.84Å; I262-Q331 HydrophobicContact CD1-CB 4.3Å; I262-Q331 HydrophobicContact CG1-CB 4.5Å; I262-Q331 PolarHBondContact N-O 3.07Å
332H95.6Very high90.1Very high26 Ų2648.9 Ų48.912%0.1225%0.246CC..EExtended strand (participates in β ladder)trans-153148.9178.4-174.5-68.5000108.8D259 G260 Y261 S334 L335 F342D259-H332 PolarHBondContact O-NE2 2.99Å; G260-H332 VanDerWaalsContact C-CD2 3.5Å; G260-H332 CarbonylContact O-C 3.57Å; G260-H332 VanDerWaalsContact O-CA 3.25Å; G260-H332 WeakPolarHBondContact O-CA 3.47Å; G260-H332 PolarHBondContact O-CD2 3.18Å; G260-H332 VanDerWaalsContact O-CG 3.23Å; G260-H332 PolarHBondContact O-ND1 3.27Å; Y261-H332 AromaticContact CD1-CD2 3.98Å; Y261-H332 AromaticContact CD2-CD2 3.59Å; Y261-H332 AromaticContact CE2-CD2 3.62Å; Y261-H332 AromaticContact CG-CD2 3.77Å; Y261-H332 AromaticContact CZ-CD2 3.84Å; H332-S334 VanDerWaalsContact C-N 3.32Å; H332-S334 PolarHBondContact CE1-OG 3.47Å; H332-S334 PolarHBondContact ND1-N 2.65Å; H332-S334 VanDerWaalsContact ND1-N 3.13Å; H332-S334 PolarHBondContact ND1-OG 2.99Å; H332-S334 PolarHBondContact O-N 3.39Å; H332-L335 HydrophobicContact CB-CB 4.02Å; H332-L335 PolarHBondContact ND1-N 2.76Å; H332-L335 VanDerWaalsContact ND1-N 3.17Å; H332-F342 HydrophobicContact CB-CD2 3.89Å; H332-F342 HydrophobicContact CB-CE2 3.69Å
333I95.8Very high89.8Confident117 Ų11749 Ų4960%0.625%0.246SC*.SBendtrans-58.2-40.6-175.561178.7000113.1V256 G260 I262V256-I333 HydrophobicContact CG1-CG2 4.01Å; G260-I333 PolarHBondContact O-N 3.42Å; I262-I333 HydrophobicContact CD1-CG2 4.33Å; I262-I333 HydrophobicContact CG1-CG2 4.34Å
334S94.5Very high89.5Confident86 Ų8656.7 Ų56.760%0.60127%0.274SS*.SBendtrans-124.1-14.6-176.757.20000115.7H332H332-S334 VanDerWaalsContact C-N 3.32Å; H332-S334 PolarHBondContact CE1-OG 3.47Å; H332-S334 PolarHBondContact ND1-N 2.65Å; H332-S334 VanDerWaalsContact ND1-N 3.13Å; H332-S334 PolarHBondContact ND1-OG 2.99Å; H332-S334 PolarHBondContact O-N 3.39Å
335L92.9Very high89.2Confident22 Ų2256.6 Ų56.612%0.11527%0.274CS..  trans-104.8140.5-174.6-60.1179.4000110.9H332 M339 R341 F342H332-L335 HydrophobicContact CB-CB 4.02Å; H332-L335 PolarHBondContact ND1-N 2.76Å; H332-L335 VanDerWaalsContact ND1-N 3.17Å; L335-M339 HydrophobicContact CB-SD 4.35Å; L335-M339 HydrophobicContact CD2-SD 3.96Å; L335-R341 HydrophobicContact CD1-CG 3.98Å; L335-R341 HydrophobicContact CD2-CB 4.43Å; L335-R341 HydrophobicContact CD2-CG 4.16Å; L335-F342 HydrophobicContact CB-CB 4.23Å; L335-F342 HydrophobicContact CB-CD2 4.02Å
336N88.9Confident89.2Confident77 Ų7756.9 Ų56.941%0.41228%0.276SS..  trans-96.9139.1174.8-172.6-64.1000109.9T338 M339 F342N336-T338 PolarHBondContact O-N 3.08Å; N336-T338 WeakPolarHBondContact OD1-CB 3.22Å; N336-T338 WeakPolarHBondContact OD1-CG2 3.34Å; N336-T338 PolarHBondContact OD1-N 3.33Å; N336-T338 PolarHBondContact OD1-OG1 2.93Å; N336-M339 HydrophobicContact CB-CE 3.54Å; N336-M339 HydrophobicContact CB-CG 4.12Å; N336-M339 HydrophobicContact CB-SD 4.32Å; N336-M339 PolarHBondContact N-SD 2.86Å; N336-M339 VanDerWaalsContact N-SD 3.44Å; N336-M339 VanDerWaalsContact O-CB 3.27Å; N336-M339 WeakPolarHBondContact O-CB 3.4Å; N336-M339 WeakPolarHBondContact O-CG 3.35Å; N336-M339 PolarHBondContact O-N 3.03Å; N336-F342 WeakPolarHBondContact O-CB 3.35Å
337P86.1Confident89.2Confident43 Ų4357.1 Ų57.128%0.27928%0.277SS..THydrogen-bonded Turntrans-55.9-15.7175.4-26.934.9000115.6K330 M339 F342 W343K330-P337 HydrophobicContact CB-CG 4.46Å; K330-P337 WeakPolarHBondContact O-CG 3.44Å; P337-M339 VanDerWaalsContact C-N 3.32Å; P337-F342 HydrophobicContact CB-CD1 4.21Å; P337-F342 HydrophobicContact CB-CE1 4.18Å; P337-F342 HydrophobicContact CB-CG 4.49Å; P337-F342 HydrophobicContact CB-CZ 4.41Å; P337-F342 HydrophobicContact CG-CD2 4.31Å; P337-F342 HydrophobicContact CG-CE1 4.26Å; P337-F342 HydrophobicContact CG-CE2 3.98Å; P337-F342 HydrophobicContact CG-CZ 4Å; P337-W343 HydrophobicContact CB-CZ2 4.39Å; P337-W343 PolarHBondContact O-NE1 3.02Å
338T82.9Confident89.7Confident98 Ų9856.4 Ų56.460%0.60127%0.272SS*.THydrogen-bonded Turntrans-74.6-21.9172.855.80000113.7N336 K436N336-T338 PolarHBondContact O-N 3.08Å; N336-T338 WeakPolarHBondContact OD1-CB 3.22Å; N336-T338 WeakPolarHBondContact OD1-CG2 3.34Å; N336-T338 PolarHBondContact OD1-N 3.33Å; N336-T338 PolarHBondContact OD1-OG1 2.93Å; T338-K436 PolarHBondContact O-NZ 3.17Å
339M84.9Confident90.2Very high78 Ų7856.6 Ų56.638%0.38427%0.274SS..SBendtrans-77.8141.3-178.9-56.8175.3-163.200110.9L335 N336 P337 R341 F342L335-M339 HydrophobicContact CB-SD 4.35Å; L335-M339 HydrophobicContact CD2-SD 3.96Å; N336-M339 HydrophobicContact CB-CE 3.54Å; N336-M339 HydrophobicContact CB-CG 4.12Å; N336-M339 HydrophobicContact CB-SD 4.32Å; N336-M339 PolarHBondContact N-SD 2.86Å; N336-M339 VanDerWaalsContact N-SD 3.44Å; N336-M339 VanDerWaalsContact O-CB 3.27Å; N336-M339 WeakPolarHBondContact O-CB 3.4Å; N336-M339 WeakPolarHBondContact O-CG 3.35Å; N336-M339 PolarHBondContact O-N 3.03Å; P337-M339 VanDerWaalsContact C-N 3.32Å; M339-R341 VanDerWaalsContact C-N 3.26Å; M339-R341 PolarHBondContact O-N 2.96Å; M339-F342 WeakPolarHBondContact O-CB 3.11Å; M339-F342 PolarHBondContact O-N 2.6Å
340K84.7Confident90.5Very high109 Ų10956.6 Ų56.647%0.47428%0.275SS..G310 helixtrans-59.9-37.1171.9-68.1-172.3177.8-174.10112.1F342 W343 Q433 K436K340-F342 VanDerWaalsContact C-N 3.26Å; K340-F342 PolarHBondContact O-N 3.04Å; K340-W343 PolarHBondContact O-N 3.29Å; K340-Q433 PolarHBondContact NZ-O 3.29Å; K340-K436 HydrophobicContact CG-CD 4.4Å; K340-K436 HydrophobicContact CG-CG 3.97Å
341R89.2Confident90.8Very high176 Ų17655 Ų5566%0.66427%0.268SS*.G310 helixtrans-60-33-178.7-172.5175.8171-176.9-1.6113.2L335 M339 W343 R344L335-R341 HydrophobicContact CD1-CG 3.98Å; L335-R341 HydrophobicContact CD2-CB 4.43Å; L335-R341 HydrophobicContact CD2-CG 4.16Å; M339-R341 VanDerWaalsContact C-N 3.26Å; M339-R341 PolarHBondContact O-N 2.96Å; R341-W343 PolarHBondContact O-N 2.97Å; R341-R344 PolarHBondContact O-N 3.41Å
342F92.1Very high91Very high0 Ų054.8 Ų54.80%027%0.269CS..G310 helixtrans-62.7-24.5174.5-179.7-82.4000112.8Y261 H332 L335 N336 P337 M339 K340 F345Y261-F342 HydrophobicContact CD1-CE2 4.22Å; Y261-F342 HydrophobicContact CD1-CZ 4.23Å; Y261-F342 HydrophobicContact CE1-CD2 4.21Å; Y261-F342 HydrophobicContact CE1-CE1 4.31Å; Y261-F342 AromaticContact CE1-CE2 3.95Å; Y261-F342 HydrophobicContact CE1-CE2 3.95Å; Y261-F342 HydrophobicContact CE1-CG 4.49Å; Y261-F342 AromaticContact CE1-CZ 3.97Å; Y261-F342 HydrophobicContact CE1-CZ 3.97Å; Y261-F342 PolarHBondContact OH-O 2.63Å; H332-F342 HydrophobicContact CB-CD2 3.89Å; H332-F342 HydrophobicContact CB-CE2 3.69Å; L335-F342 HydrophobicContact CB-CB 4.23Å; L335-F342 HydrophobicContact CB-CD2 4.02Å; N336-F342 WeakPolarHBondContact O-CB 3.35Å; P337-F342 HydrophobicContact CB-CD1 4.21Å; P337-F342 HydrophobicContact CB-CE1 4.18Å; P337-F342 HydrophobicContact CB-CG 4.49Å; P337-F342 HydrophobicContact CB-CZ 4.41Å; P337-F342 HydrophobicContact CG-CD2 4.31Å; P337-F342 HydrophobicContact CG-CE1 4.26Å; P337-F342 HydrophobicContact CG-CE2 3.98Å; P337-F342 HydrophobicContact CG-CZ 4Å; M339-F342 WeakPolarHBondContact O-CB 3.11Å; M339-F342 PolarHBondContact O-N 2.6Å; K340-F342 VanDerWaalsContact C-N 3.26Å; K340-F342 PolarHBondContact O-N 3.04Å; F342-F345 WeakPolarHBondContact O-CD1 3.19Å; F342-F345 WeakPolarHBondContact O-CE1 3.15Å
343W90.3Very high91.1Very high4 Ų457.2 Ų57.22%0.01528%0.277CS..G310 helixtrans-101.713.9-176.9-61.799.4000113.1K330 P337 K340 R341 F345 K436 E437 S493K330-W343 HydrophobicContact CD-CH2 4.35Å; K330-W343 HydrophobicContact CG-CH2 4.21Å; P337-W343 HydrophobicContact CB-CZ2 4.39Å; P337-W343 PolarHBondContact O-NE1 3.02Å; K340-W343 PolarHBondContact O-N 3.29Å; R341-W343 PolarHBondContact O-N 2.97Å; W343-F345 VanDerWaalsContact C-N 3.31Å; W343-F345 AromaticContact CE3-CE1 3.95Å; W343-F345 HydrophobicContact CE3-CE1 3.95Å; W343-F345 AromaticContact CE3-CZ 3.88Å; W343-F345 HydrophobicContact CE3-CZ 3.88Å; W343-F345 HydrophobicContact CZ3-CZ 4.19Å; W343-F345 PolarHBondContact O-N 2.96Å; W343-F345 VanDerWaalsContact O-N 3.13Å; W343-K436 HydrophobicContact CG-CB 4.36Å; W343-E437 HydrophobicContact CD2-CB 4.07Å; W343-E437 HydrophobicContact CE3-CB 4.24Å; W343-E437 HydrophobicContact CH2-CB 3.67Å; W343-E437 HydrophobicContact CH2-CG 3.44Å; W343-E437 VanDerWaalsContact CH2-CG 3.44Å; W343-E437 HydrophobicContact CZ2-CB 3.5Å; W343-E437 HydrophobicContact CZ2-CG 3.73Å; W343-E437 HydrophobicContact CZ3-CB 4.04Å; W343-E437 HydrophobicContact CZ3-CG 3.91Å; W343-S493 WeakPolarHBondContact O-CB 3.27Å
344R88.9Confident91.2Very high166 Ų16651.6 Ų51.663%0.62625%0.249SC*.  trans-87.865.7179.7-67-175.766.2148.20.1111.6R341 M495R341-R344 PolarHBondContact O-N 3.41Å; R344-M495 HydrophobicContact CB-CE 4.42Å; R344-M495 HydrophobicContact CB-SD 4.09Å; R344-M495 HydrophobicContact CG-CE 3.87Å; R344-M495 HydrophobicContact CG-SD 4.18Å
345F91.4Very high91.4Very high1 Ų147.6 Ų47.60%0.00422%0.22CC..  trans-146.7159.4177.162.2-101.1000111.4Y261 R324 F342 W343 Q349 M350 S493 M495 N496Y261-F345 HydrophobicContact CE1-CD1 4.16Å; Y261-F345 HydrophobicContact CE1-CE1 4.24Å; Y261-F345 AromaticContact CZ-CD1 3.99Å; R324-F345 VanDerWaalsContact CD-CD2 3.5Å; R324-F345 HydrophobicContact CG-CD1 4.12Å; R324-F345 HydrophobicContact CG-CD2 3.64Å; R324-F345 HydrophobicContact CG-CE1 4.16Å; R324-F345 HydrophobicContact CG-CE2 3.71Å; R324-F345 HydrophobicContact CG-CG 3.88Å; R324-F345 HydrophobicContact CG-CZ 3.98Å; F342-F345 WeakPolarHBondContact O-CD1 3.19Å; F342-F345 WeakPolarHBondContact O-CE1 3.15Å; W343-F345 VanDerWaalsContact C-N 3.31Å; W343-F345 AromaticContact CE3-CE1 3.95Å; W343-F345 HydrophobicContact CE3-CE1 3.95Å; W343-F345 AromaticContact CE3-CZ 3.88Å; W343-F345 HydrophobicContact CE3-CZ 3.88Å; W343-F345 HydrophobicContact CZ3-CZ 4.19Å; W343-F345 PolarHBondContact O-N 2.96Å; W343-F345 VanDerWaalsContact O-N 3.13Å; F345-Q349 VanDerWaalsContact CA-OE1 3.27Å; F345-Q349 HydrophobicContact CB-CB 4.14Å; F345-Q349 HydrophobicContact CB-CG 4.42Å; F345-M350 HydrophobicContact CD2-CE 3.79Å; F345-M350 HydrophobicContact CE2-CE 3.59Å; F345-S493 WeakPolarHBondContact CE2-OG 3.04Å; F345-S493 WeakPolarHBondContact O-CB 3.39Å; F345-S493 PolarHBondContact O-OG 3.35Å; F345-M495 WeakPolarHBondContact O-CB 3.39Å; F345-N496 PolarHBondContact O-N 3.17Å
346T88.8Confident91.7Very high6 Ų647.6 Ų47.64%0.03722%0.222CC..  trans-129.1-171.8168.871.80000109.8D348 Q349 M350 M495 H499 I512T346-D348 PolarHBondContact O-N 3.2Å; T346-D348 WeakPolarHBondContact OG1-CB 3.21Å; T346-D348 PolarHBondContact OG1-N 3.03Å; T346-D348 VanDerWaalsContact OG1-N 3.09Å; T346-D348 PolarHBondContact OG1-OD2 3.21Å; T346-D348 VanDerWaalsContact OG1-OD2 3.11Å; T346-Q349 PolarHBondContact O-N 3.42Å; T346-M350 PolarHBondContact O-N 3.39Å; T346-M495 HydrophobicContact CG2-CB 4.03Å; T346-H499 WeakPolarHBondContact CB-ND1 2.94Å; T346-H499 HydrophobicContact CG2-CB 4.03Å; T346-H499 PolarHBondContact OG1-ND1 3.23Å; T346-I512 HydrophobicContact CG2-CD1 4.13Å
347F90Very high92.2Very high7 Ų744.8 Ų44.83%0.03121%0.21CC..Hα-helixtrans-58.1-21.3169.977.4-99.8000112.8M350 A351 Q378 L381 I382 A385 N496 H499 L509 V510 Y520F347-M350 CarbonylContact O-C 3.59Å; F347-M350 WeakPolarHBondContact O-CA 3.13Å; F347-M350 WeakPolarHBondContact O-CB 3.44Å; F347-M350 PolarHBondContact O-N 3.11Å; F347-M350 VanDerWaalsContact O-N 3.09Å; F347-A351 PolarHBondContact O-N 3.35Å; F347-Q378 HydrophobicContact CB-CG 4.48Å; F347-L381 HydrophobicContact CB-CD2 4.37Å; F347-L381 HydrophobicContact CD1-CD2 3.45Å; F347-L381 VanDerWaalsContact CD1-CD2 3.45Å; F347-L381 HydrophobicContact CD1-CG 4.36Å; F347-L381 HydrophobicContact CD2-CD2 3.78Å; F347-L381 HydrophobicContact CD2-CG 3.78Å; F347-L381 HydrophobicContact CE1-CD2 3.48Å; F347-L381 VanDerWaalsContact CE1-CD2 3.48Å; F347-L381 HydrophobicContact CE1-CG 4.28Å; F347-L381 HydrophobicContact CE2-CD1 4.29Å; F347-L381 HydrophobicContact CE2-CD2 3.84Å; F347-L381 HydrophobicContact CE2-CG 3.72Å; F347-L381 HydrophobicContact CG-CD2 3.6Å; F347-L381 HydrophobicContact CG-CG 4.12Å; F347-L381 HydrophobicContact CZ-CD1 4.3Å; F347-L381 HydrophobicContact CZ-CD2 3.7Å; F347-L381 HydrophobicContact CZ-CG 3.98Å; F347-I382 HydrophobicContact CB-CG1 4.25Å; F347-A385 HydrophobicContact CE2-CB 4.48Å; F347-N496 PolarHBondContact N-OD1 2.91Å; F347-H499 HydrophobicContact CD1-CB 4.5Å; F347-H499 AromaticContact CD1-CE1 3.87Å; F347-H499 AromaticContact CD1-CG 3.98Å; F347-H499 AromaticContact CD1-ND1 3.44Å; F347-H499 WeakPolarHBondContact CD1-ND1 2.88Å; F347-H499 HydrophobicContact CE1-CB 4.43Å; F347-H499 AromaticContact CE1-CD2 3.83Å; F347-H499 AromaticContact CE1-CE1 3.11Å; F347-H499 WeakPolarHBondContact CE1-CE1 3.28Å; F347-H499 AromaticContact CE1-CG 3.55Å; F347-H499 AromaticContact CE1-ND1 3.1Å; F347-H499 WeakPolarHBondContact CE1-ND1 3.15Å; F347-H499 AromaticContact CE1-NE2 3.58Å; F347-H499 AromaticContact CZ-CE1 3.35Å; F347-H499 WeakPolarHBondContact CZ-CE1 3.43Å; F347-H499 AromaticContact CZ-ND1 3.81Å; F347-H499 AromaticContact CZ-NE2 3.83Å; F347-L509 HydrophobicContact CE2-CD2 4.36Å; F347-L509 HydrophobicContact CZ-CD2 4.42Å; F347-V510 WeakPolarHBondContact CZ-O 3.4Å; F347-Y520 AromaticContact CE2-CE2 3.74Å; F347-Y520 HydrophobicContact CE2-CE2 3.74Å; F347-Y520 HydrophobicContact CZ-CE2 4.12Å
348D90.7Very high92.8Very high4 Ų442.8 Ų42.82%0.02120%0.197CC..Hα-helixtrans-60.4-50.3176.6-61.6-29.1000110.9T346 M350 A351 I352 H499 I512 Y520T346-D348 PolarHBondContact O-N 3.2Å; T346-D348 WeakPolarHBondContact OG1-CB 3.21Å; T346-D348 PolarHBondContact OG1-N 3.03Å; T346-D348 VanDerWaalsContact OG1-N 3.09Å; T346-D348 PolarHBondContact OG1-OD2 3.21Å; T346-D348 VanDerWaalsContact OG1-OD2 3.11Å; D348-M350 PolarHBondContact O-N 2.85Å; D348-A351 PolarHBondContact O-N 3.05Å; D348-A351 VanDerWaalsContact O-N 3.14Å; D348-I352 WeakPolarHBondContact O-CB 3.47Å; D348-I352 VanDerWaalsContact O-CG1 3.25Å; D348-I352 WeakPolarHBondContact O-CG1 3.49Å; D348-I352 PolarHBondContact O-N 2.64Å; D348-H499 IonicContact OD1-CE1 3.32Å; D348-H499 PolarHBondContact OD1-CE1 3.16Å; D348-H499 VanDerWaalsContact OD1-CE1 3.32Å; D348-H499 IonicContact OD1-ND1 3.95Å; D348-H499 IonicContact OD2-CE1 3.16Å; D348-H499 PolarHBondContact OD2-CE1 3.28Å; D348-H499 IonicContact OD2-ND1 3.57Å; D348-I512 PolarHBondContact OD2-N 2.82Å; D348-Y520 PolarHBondContact OD1-OH 3.06Å
349Q94.9Very high93.5Very high36 Ų3638.1 Ų38.117%0.16817%0.168CC..Hα-helixtrans-68.4-26176.5-7376.146.500111.8F345 T346 Y353 D354F345-Q349 VanDerWaalsContact CA-OE1 3.27Å; F345-Q349 HydrophobicContact CB-CB 4.14Å; F345-Q349 HydrophobicContact CB-CG 4.42Å; T346-Q349 PolarHBondContact O-N 3.42Å; Q349-Y353 HydrophobicContact CB-CD2 3.91Å; Q349-Y353 HydrophobicContact CB-CE2 4.38Å; Q349-Y353 HydrophobicContact CG-CD2 4.01Å; Q349-Y353 HydrophobicContact CG-CE2 3.96Å; Q349-Y353 WeakPolarHBondContact O-CB 3.43Å; Q349-Y353 PolarHBondContact O-N 2.76Å; Q349-D354 PolarHBondContact O-N 3.5Å
350M96.9Very high94.2Very high1 Ų136.7 Ų36.71%0.00516%0.162CC..Iπ-helixtrans-67.6-39.5171.8-56.3175.1-173.800111.2V323 R324 F345 T346 F347 D348 D354 L355 Q378 I382V323-M350 HydrophobicContact CB-CE 4.36Å; V323-M350 HydrophobicContact CB-CG 4.03Å; V323-M350 HydrophobicContact CB-SD 3.76Å; V323-M350 HydrophobicContact CG1-CB 4.23Å; V323-M350 HydrophobicContact CG1-CG 4.25Å; V323-M350 HydrophobicContact CG1-SD 4.05Å; V323-M350 HydrophobicContact CG2-CE 3.97Å; V323-M350 HydrophobicContact CG2-SD 3.66Å; R324-M350 HydrophobicContact CG-CE 4.15Å; R324-M350 HydrophobicContact CG-CG 4.13Å; F345-M350 HydrophobicContact CD2-CE 3.79Å; F345-M350 HydrophobicContact CE2-CE 3.59Å; T346-M350 PolarHBondContact O-N 3.39Å; F347-M350 CarbonylContact O-C 3.59Å; F347-M350 WeakPolarHBondContact O-CA 3.13Å; F347-M350 WeakPolarHBondContact O-CB 3.44Å; F347-M350 PolarHBondContact O-N 3.11Å; F347-M350 VanDerWaalsContact O-N 3.09Å; D348-M350 PolarHBondContact O-N 2.85Å; M350-D354 HydrophobicContact CB-CB 4.36Å; M350-D354 WeakPolarHBondContact O-CA 3.19Å; M350-D354 WeakPolarHBondContact O-CB 3.27Å; M350-D354 PolarHBondContact O-N 2.93Å; M350-D354 VanDerWaalsContact O-N 3.13Å; M350-L355 PolarHBondContact O-N 3.22Å; M350-Q378 PolarHBondContact SD-NE2 3.29Å; M350-I382 HydrophobicContact CB-CD1 3.84Å; M350-I382 HydrophobicContact CB-CG1 4.05Å; M350-I382 HydrophobicContact CB-CG2 4.46Å; M350-I382 HydrophobicContact SD-CD1 3.93Å
351A95.2Very high94.8Very high2 Ų235 Ų352%0.01715%0.153CC..Iπ-helixtrans-72.1-39.7176.900000112.8F347 D348 P356 I382 A385 C386F347-A351 PolarHBondContact O-N 3.35Å; D348-A351 PolarHBondContact O-N 3.05Å; D348-A351 VanDerWaalsContact O-N 3.14Å; A351-P356 WeakPolarHBondContact O-CD 3.3Å; A351-I382 HydrophobicContact CB-CG2 4.3Å; A351-A385 HydrophobicContact CB-CB 3.65Å; A351-C386 HydrophobicContact CB-CB 4.25Å; A351-C386 PolarHBondContact O-SG 3.4Å; A351-C386 VanDerWaalsContact O-SG 3.35Å
352I95.9Very high95.3Very high91 Ų9126.6 Ų26.647%0.46712%0.121SC..Iπ-helixtrans-80-36.3-176.1-64.5164.9000112D348D348-I352 WeakPolarHBondContact O-CB 3.47Å; D348-I352 VanDerWaalsContact O-CG1 3.25Å; D348-I352 WeakPolarHBondContact O-CG1 3.49Å; D348-I352 PolarHBondContact O-N 2.64Å
353Y98.3Very high95.5Very high77 Ų7727.1 Ų27.130%0.30212%0.124SC..Iπ-helixtrans-119.3-43.7-170.7-58.2-59.2000114K258 D259 R324 Q349 A357K258-Y353 HydrophobicContact CB-CD1 3.91Å; K258-Y353 HydrophobicContact CB-CE1 4.19Å; D259-Y353 HydrophobicContact CB-CD2 4.25Å; D259-Y353 HydrophobicContact CB-CE2 4.2Å; D259-Y353 HydrophobicContact CB-CG 4.48Å; R324-Y353 VanDerWaalsContact NH2-CB 3.33Å; Q349-Y353 HydrophobicContact CB-CD2 3.91Å; Q349-Y353 HydrophobicContact CB-CE2 4.38Å; Q349-Y353 HydrophobicContact CG-CD2 4.01Å; Q349-Y353 HydrophobicContact CG-CE2 3.96Å; Q349-Y353 WeakPolarHBondContact O-CB 3.43Å; Q349-Y353 PolarHBondContact O-N 2.76Å; Y353-A357 WeakPolarHBondContact O-CB 3.31Å; Y353-A357 PolarHBondContact O-N 2.69Å
354D98.6Very high95.9Very high0 Ų033.3 Ų33.30%016%0.157CC..Iπ-helixtrans-73.3-55.3-173.4-654.9000111.3T257 L263 V323 R324 Q349 M350 A357 M358T257-D354 WeakPolarHBondContact CG2-OD1 3.37Å; L263-D354 HydrophobicContact CD1-CB 3.57Å; V323-D354 WeakPolarHBondContact CA-OD2 3.38Å; R324-D354 WeakPolarHBondContact CB-OD2 3.27Å; R324-D354 VanDerWaalsContact CG-OD2 3.27Å; R324-D354 WeakPolarHBondContact CG-OD2 3.37Å; R324-D354 IonicContact CZ-OD1 3.73Å; R324-D354 PolarHBondContact N-OD2 2.73Å; R324-D354 VanDerWaalsContact NE-CG 3.34Å; R324-D354 IonicContact NE-OD1 2.64Å; R324-D354 PolarHBondContact NE-OD1 3.31Å; R324-D354 IonicContact NE-OD2 2.65Å; R324-D354 PolarHBondContact NE-OD2 2.98Å; R324-D354 IonicContact NH2-OD1 3.58Å; R324-D354 PolarHBondContact NH2-OD1 2.92Å; Q349-D354 PolarHBondContact O-N 3.5Å; M350-D354 HydrophobicContact CB-CB 4.36Å; M350-D354 WeakPolarHBondContact O-CA 3.19Å; M350-D354 WeakPolarHBondContact O-CB 3.27Å; M350-D354 PolarHBondContact O-N 2.93Å; M350-D354 VanDerWaalsContact O-N 3.13Å; D354-A357 PolarHBondContact O-N 3.2Å; D354-M358 HydrophobicContact CB-CE 4.15Å; D354-M358 WeakPolarHBondContact O-CB 3.46Å; D354-M358 VanDerWaalsContact O-CG 3.3Å; D354-M358 WeakPolarHBondContact O-CG 3.42Å; D354-M358 PolarHBondContact O-N 3.38Å
355L98.6Very high96.2Very high1 Ų129.7 Ų29.71%0.00515%0.146CC..Hα-helixtrans-61.5-49.2-175.7176.161.3000112F286 M350 A357 M358 V359 Y373 I382 C386 F387F286-L355 HydrophobicContact CE1-CD1 4.3Å; M350-L355 PolarHBondContact O-N 3.22Å; L355-A357 PolarHBondContact O-N 2.8Å; L355-M358 PolarHBondContact O-N 2.8Å; L355-V359 HydrophobicContact CD1-CG2 3.67Å; L355-V359 HydrophobicContact CG-CG2 4.36Å; L355-V359 WeakPolarHBondContact O-CG2 3.33Å; L355-V359 PolarHBondContact O-N 2.99Å; L355-Y373 HydrophobicContact CD1-CD2 3.95Å; L355-Y373 HydrophobicContact CD1-CE2 3.41Å; L355-Y373 VanDerWaalsContact CD1-CE2 3.41Å; L355-Y373 HydrophobicContact CD2-CE2 4.12Å; L355-Y373 HydrophobicContact CG-CE2 4.45Å; L355-I382 HydrophobicContact CB-CG2 3.89Å; L355-I382 HydrophobicContact CD2-CG2 3.92Å; L355-I382 HydrophobicContact CG-CG2 4.49Å; L355-C386 HydrophobicContact CD2-CB 3.76Å; L355-F387 HydrophobicContact CD2-CE1 3.86Å; L355-F387 HydrophobicContact CD2-CZ 4.14Å
356P98.5Very high96.2Very high22 Ų2229.9 Ų29.914%0.14315%0.148CC..Hα-helixtrans-59.7-43.7176.9-27.437000113.1A351 M358 V359 D360 W393A351-P356 WeakPolarHBondContact O-CD 3.3Å; P356-M358 VanDerWaalsContact C-N 3.34Å; P356-M358 PolarHBondContact O-N 3.25Å; P356-V359 PolarHBondContact O-N 2.82Å; P356-D360 VanDerWaalsContact O-CB 3.25Å; P356-D360 WeakPolarHBondContact O-CB 3.37Å; P356-D360 PolarHBondContact O-N 2.99Å; P356-W393 HydrophobicContact CB-CZ2 4.04Å
357A98.7Very high96.5Very high19 Ų1936.9 Ų36.916%0.15719%0.185CC..Hα-helixtrans-63.9-40.4179.700000112V255 T257 Y353 D354 L355 Y361V255-A357 HydrophobicContact CG1-CB 3.69Å; V255-A357 WeakPolarHBondContact CG1-O 3.46Å; T257-A357 HydrophobicContact CG2-CB 4.37Å; Y353-A357 WeakPolarHBondContact O-CB 3.31Å; Y353-A357 PolarHBondContact O-N 2.69Å; D354-A357 PolarHBondContact O-N 3.2Å; L355-A357 PolarHBondContact O-N 2.8Å; A357-Y361 WeakPolarHBondContact O-CB 3.49Å; A357-Y361 PolarHBondContact O-N 3.29Å
358M98.8Very high96.7Very high1 Ų138.9 Ų38.91%0.00519%0.194CC..Hα-helixtrans-67.3-46.6177.2-72.5-171.4-62.700111.9L263 M265 F286 D354 L355 P356 Y361 V362L263-M358 HydrophobicContact CD1-CE 4.39Å; L263-M358 HydrophobicContact CD1-CG 3.83Å; L263-M358 HydrophobicContact CD1-SD 3.92Å; M265-M358 HydrophobicContact CG-CG 4.19Å; M265-M358 HydrophobicContact CG-SD 4.04Å; M265-M358 HydrophobicContact SD-CB 3.53Å; M265-M358 VanDerWaalsContact SD-CB 3.53Å; M265-M358 HydrophobicContact SD-CG 3.5Å; M265-M358 VanDerWaalsContact SD-CG 3.5Å; M265-M358 HydrophobicContact SD-SD 3.93Å; F286-M358 HydrophobicContact CE1-CE 4.31Å; F286-M358 HydrophobicContact CE2-CB 3.94Å; F286-M358 HydrophobicContact CZ-CB 3.75Å; F286-M358 HydrophobicContact CZ-CE 3.87Å; F286-M358 HydrophobicContact CZ-CG 4.37Å; F286-M358 HydrophobicContact CZ-SD 3.84Å; D354-M358 HydrophobicContact CB-CE 4.15Å; D354-M358 WeakPolarHBondContact O-CB 3.46Å; D354-M358 VanDerWaalsContact O-CG 3.3Å; D354-M358 WeakPolarHBondContact O-CG 3.42Å; D354-M358 PolarHBondContact O-N 3.38Å; L355-M358 PolarHBondContact O-N 2.8Å; P356-M358 VanDerWaalsContact C-N 3.34Å; P356-M358 PolarHBondContact O-N 3.25Å; M358-Y361 PolarHBondContact O-N 3Å; M358-V362 VanDerWaalsContact O-CG2 3.3Å; M358-V362 WeakPolarHBondContact O-CG2 3.32Å; M358-V362 PolarHBondContact O-N 3.4Å; M358-V362 VanDerWaalsContact O-N 3.13Å
359V98.8Very high97Very high0 Ų043.2 Ų43.20%023%0.225CC..Hα-helixtrans-64.9-47.8179.91670000111.2L355 P356 Y361 V362 L363 L371 W393 K397 I398L355-V359 HydrophobicContact CD1-CG2 3.67Å; L355-V359 HydrophobicContact CG-CG2 4.36Å; L355-V359 WeakPolarHBondContact O-CG2 3.33Å; L355-V359 PolarHBondContact O-N 2.99Å; P356-V359 PolarHBondContact O-N 2.82Å; V359-Y361 VanDerWaalsContact C-N 3.29Å; V359-Y361 PolarHBondContact O-N 3.26Å; V359-V362 PolarHBondContact O-N 3.18Å; V359-L363 HydrophobicContact CG1-CD1 3.85Å; V359-L363 HydrophobicContact CG1-CG 4.27Å; V359-L363 WeakPolarHBondContact O-CG 3.28Å; V359-L363 PolarHBondContact O-N 2.87Å; V359-L371 HydrophobicContact CB-CD2 4.4Å; V359-L371 HydrophobicContact CG1-CD2 3.97Å; V359-L371 HydrophobicContact CG1-CG 4.28Å; V359-L371 HydrophobicContact CG2-CD1 4.49Å; V359-L371 HydrophobicContact CG2-CD2 4.26Å; V359-W393 HydrophobicContact CB-CH2 3.78Å; V359-W393 HydrophobicContact CB-CZ2 3.75Å; V359-W393 HydrophobicContact CG1-CH2 3.7Å; V359-W393 HydrophobicContact CG1-CZ2 3.6Å; V359-W393 HydrophobicContact CG2-CH2 4.05Å; V359-K397 HydrophobicContact CG1-CB 4.31Å; V359-I398 HydrophobicContact CG1-CD1 4.03Å; V359-I398 HydrophobicContact CG2-CD1 4.24Å
360D98.6Very high97.1Very high48 Ų4842.2 Ų42.226%0.25722%0.222SC..Hα-helixtrans-57.5-44.8179.2-71.2-9.1000110.9P356 V362 L363 D364 W393 K397P356-D360 VanDerWaalsContact O-CB 3.25Å; P356-D360 WeakPolarHBondContact O-CB 3.37Å; P356-D360 PolarHBondContact O-N 2.99Å; D360-V362 VanDerWaalsContact C-N 3.33Å; D360-V362 PolarHBondContact O-N 3.38Å; D360-L363 PolarHBondContact O-N 2.81Å; D360-D364 WeakPolarHBondContact O-CB 3.45Å; D360-D364 VanDerWaalsContact O-CG 3.28Å; D360-D364 PolarHBondContact O-N 2.87Å; D360-W393 PolarHBondContact OD1-NE1 2.84Å; D360-K397 VanDerWaalsContact CG-NZ 3.32Å; D360-K397 WeakPolarHBondContact OD1-CD 3Å; D360-K397 WeakPolarHBondContact OD1-CE 3.39Å; D360-K397 IonicContact OD1-NZ 3.79Å; D360-K397 PolarHBondContact OD1-NZ 2.8Å; D360-K397 IonicContact OD2-NZ 2.96Å
361Y98.7Very high97.2Very high73 Ų7342.2 Ų42.229%0.28622%0.222SC..Hα-helixtrans-58.9-42.8175.3-177.5-83.8000112.8H253 V255 M265 W319 A357 M358 V359 F365H253-Y361 HydrophobicContact CB-CE1 3.74Å; H253-Y361 AromaticContact CG-CE1 3.79Å; H253-Y361 AromaticContact ND1-CE1 3.46Å; H253-Y361 WeakPolarHBondContact ND1-CE1 3.43Å; H253-Y361 AromaticContact ND1-CZ 3.6Å; H253-Y361 PolarHBondContact ND1-OH 3.44Å; V255-Y361 HydrophobicContact CG2-CD1 4.05Å; V255-Y361 HydrophobicContact CG2-CD2 3.9Å; V255-Y361 HydrophobicContact CG2-CG 3.63Å; M265-Y361 HydrophobicContact CE-CD1 3.45Å; M265-Y361 VanDerWaalsContact CE-CD1 3.45Å; M265-Y361 HydrophobicContact CE-CE1 4.09Å; M265-Y361 HydrophobicContact CE-CG 4.1Å; W319-Y361 HydrophobicContact CH2-CD1 4.36Å; W319-Y361 HydrophobicContact CH2-CE1 4.03Å; W319-Y361 HydrophobicContact CZ3-CD1 4.23Å; W319-Y361 HydrophobicContact CZ3-CE1 4.04Å; A357-Y361 WeakPolarHBondContact O-CB 3.49Å; A357-Y361 PolarHBondContact O-N 3.29Å; M358-Y361 PolarHBondContact O-N 3Å; V359-Y361 VanDerWaalsContact C-N 3.29Å; V359-Y361 PolarHBondContact O-N 3.26Å; Y361-F365 HydrophobicContact CE1-CB 4.3Å; Y361-F365 HydrophobicContact CE1-CD2 4.42Å; Y361-F365 WeakPolarHBondContact O-CB 3.48Å; Y361-F365 PolarHBondContact O-N 2.76Å
362V98Very high97.3Very high0 Ų042.1 Ų42.10%022%0.221CC..Hα-helixtrans-65-45.1-179.9170.50000111M265 P284 F286 W319 M358 V359 D360 F365 T366 L371M265-V362 HydrophobicContact CE-CG2 4.01Å; M265-V362 HydrophobicContact SD-CG2 4.43Å; P284-V362 HydrophobicContact CB-CG1 3.91Å; F286-V362 HydrophobicContact CD2-CG2 4.18Å; F286-V362 HydrophobicContact CE2-CG2 4.33Å; W319-V362 HydrophobicContact CB-CG2 4.2Å; W319-V362 HydrophobicContact CD2-CB 4.34Å; W319-V362 HydrophobicContact CD2-CG1 4.02Å; W319-V362 HydrophobicContact CD2-CG2 3.47Å; W319-V362 VanDerWaalsContact CD2-CG2 3.47Å; W319-V362 HydrophobicContact CE3-CG2 3.53Å; W319-V362 HydrophobicContact CG-CG1 3.92Å; W319-V362 HydrophobicContact CG-CG2 3.79Å; W319-V362 HydrophobicContact CH2-CG2 4.41Å; W319-V362 HydrophobicContact CZ2-CG1 4.43Å; W319-V362 HydrophobicContact CZ2-CG2 4.39Å; W319-V362 HydrophobicContact CZ3-CG2 4.01Å; M358-V362 VanDerWaalsContact O-CG2 3.3Å; M358-V362 WeakPolarHBondContact O-CG2 3.32Å; M358-V362 PolarHBondContact O-N 3.4Å; M358-V362 VanDerWaalsContact O-N 3.13Å; V359-V362 PolarHBondContact O-N 3.18Å; D360-V362 VanDerWaalsContact C-N 3.33Å; D360-V362 PolarHBondContact O-N 3.38Å; V362-F365 PolarHBondContact O-N 3.3Å; V362-T366 HydrophobicContact CG1-CG2 4.32Å; V362-T366 WeakPolarHBondContact O-CB 3.33Å; V362-T366 VanDerWaalsContact O-CG2 3.27Å; V362-T366 WeakPolarHBondContact O-CG2 3.39Å; V362-T366 PolarHBondContact O-N 2.87Å; V362-T366 PolarHBondContact O-OG1 2.89Å; V362-L371 HydrophobicContact CB-CD2 4Å; V362-L371 HydrophobicContact CG1-CD2 3.69Å
363L97.9Very high97.5Very high10 Ų1037.8 Ų37.85%0.05220%0.199CC..Hα-helixtrans-64.5-46.5180-64.8178.6000111.2V359 D360 F365 T366 N367 H368 S370 L371 K397V359-L363 HydrophobicContact CG1-CD1 3.85Å; V359-L363 HydrophobicContact CG1-CG 4.27Å; V359-L363 WeakPolarHBondContact O-CG 3.28Å; V359-L363 PolarHBondContact O-N 2.87Å; D360-L363 PolarHBondContact O-N 2.81Å; L363-F365 PolarHBondContact O-N 3.17Å; L363-T366 PolarHBondContact O-N 2.71Å; L363-N367 WeakPolarHBondContact O-CA 3.22Å; L363-N367 PolarHBondContact O-N 3.3Å; L363-H368 WeakPolarHBondContact CB-O 3.49Å; L363-H368 HydrophobicContact CD2-CB 4.31Å; L363-H368 WeakPolarHBondContact CD2-O 3.3Å; L363-H368 PolarHBondContact O-N 3.24Å; L363-S370 VanDerWaalsContact CD2-C 3.48Å; L363-L371 HydrophobicContact CD2-CB 4.02Å; L363-L371 HydrophobicContact CD2-CD2 4.09Å; L363-L371 HydrophobicContact CD2-CG 4.16Å; L363-L371 HydrophobicContact CG-CD2 4.33Å; L363-K397 HydrophobicContact CD1-CB 3.62Å; L363-K397 HydrophobicContact CD1-CD 3.96Å; L363-K397 HydrophobicContact CD1-CG 3.61Å
364D97Very high97.5Very high135 Ų13534.1 Ų34.172%0.72218%0.184SC*.Hα-helixtrans-60.4-44.4175.9-71.8-13.3000111.8D360D360-D364 WeakPolarHBondContact O-CB 3.45Å; D360-D364 VanDerWaalsContact O-CG 3.28Å; D360-D364 PolarHBondContact O-N 2.87Å
365F95.2Very high97.4Very high90 Ų9034.1 Ų34.140%0.39518%0.184SC..Hα-helixtrans-69.1-37.8-178.5-176.8-81000112.5H253 W319 Y361 V362 L363H253-F365 AromaticContact CE1-CD2 3.99Å; H253-F365 AromaticContact CE1-CE2 3.54Å; H253-F365 AromaticContact CE1-CZ 3.7Å; W319-F365 HydrophobicContact CH2-CB 4.35Å; W319-F365 AromaticContact CH2-CD1 3.81Å; W319-F365 HydrophobicContact CH2-CD1 3.81Å; W319-F365 HydrophobicContact CH2-CE1 4.37Å; W319-F365 HydrophobicContact CH2-CG 4.03Å; W319-F365 HydrophobicContact CZ2-CB 4.49Å; W319-F365 AromaticContact CZ2-CD1 3.62Å; W319-F365 HydrophobicContact CZ2-CD1 3.62Å; W319-F365 HydrophobicContact CZ2-CE1 4.22Å; W319-F365 HydrophobicContact CZ2-CG 4.22Å; Y361-F365 HydrophobicContact CE1-CB 4.3Å; Y361-F365 HydrophobicContact CE1-CD2 4.42Å; Y361-F365 WeakPolarHBondContact O-CB 3.48Å; Y361-F365 PolarHBondContact O-N 2.76Å; V362-F365 PolarHBondContact O-N 3.3Å; L363-F365 PolarHBondContact O-N 3.17Å
366T93.3Very high97.3Very high5 Ų534.2 Ų34.23%0.03119%0.185CC..Hα-helixtrans-91.7-10.7-17561.10000113.7T281 D317 W319 V362 L363 H368T281-T366 PolarHBondContact OG1-O 3.49Å; D317-T366 VanDerWaalsContact OD2-CG2 3.28Å; D317-T366 WeakPolarHBondContact OD2-CG2 3.46Å; W319-T366 HydrophobicContact CZ2-CG2 3.87Å; V362-T366 HydrophobicContact CG1-CG2 4.32Å; V362-T366 WeakPolarHBondContact O-CB 3.33Å; V362-T366 VanDerWaalsContact O-CG2 3.27Å; V362-T366 WeakPolarHBondContact O-CG2 3.39Å; V362-T366 PolarHBondContact O-N 2.87Å; V362-T366 PolarHBondContact O-OG1 2.89Å; L363-T366 PolarHBondContact O-N 2.71Å; T366-H368 PolarHBondContact O-CD2 3.05Å; T366-H368 PolarHBondContact O-N 3.01Å
367N93.7Very high97.1Very high153 Ų15333.5 Ų33.582%0.81818%0.18SC*.THydrogen-bonded Turntrans57.234.8-173.1-162.152.9000113L363L363-N367 WeakPolarHBondContact O-CA 3.22Å; L363-N367 PolarHBondContact O-N 3.3Å
368H94.7Very high96.7Very high49 Ų4932.8 Ų32.823%0.22717%0.173CC..  trans-102.5147.2171.6-82.5-94.3000109.6T281 P284 L363 T366T281-H368 PolarHBondContact O-NE2 3.49Å; T281-H368 PolarHBondContact OG1-NE2 3.21Å; P284-H368 HydrophobicContact CG-CB 3.91Å; L363-H368 WeakPolarHBondContact CB-O 3.49Å; L363-H368 HydrophobicContact CD2-CB 4.31Å; L363-H368 WeakPolarHBondContact CD2-O 3.3Å; L363-H368 PolarHBondContact O-N 3.24Å; T366-H368 PolarHBondContact O-CD2 3.05Å; T366-H368 PolarHBondContact O-N 3.01Å
369S96.4Very high96.6Very high95 Ų9532.7 Ų32.766%0.66417%0.173SC*.SBendtrans-78.8-29.1176.555.60000113.1
370S97.8Very high96.4Very high15 Ų1532.7 Ų32.711%0.10517%0.173CC..  trans-147.6159.4-177.658.30000112.5Q283 L363 K397Q283-S370 PolarHBondContact NE2-O 2.95Å; L363-S370 VanDerWaalsContact CD2-C 3.48Å; S370-K397 CarbonylContact C-O 3.49Å; S370-K397 WeakPolarHBondContact CA-O 3.35Å; S370-K397 WeakPolarHBondContact CB-O 3.39Å
371L98Very high96.1Very high0 Ų030.7 Ų30.70%016%0.162CC..EExtended strand (participates in β ladder)trans-132162178.664.475.5000112.7P284 F286 V359 V362 L363 K397 I398 R399P284-L371 HydrophobicContact CB-CB 3.83Å; P284-L371 HydrophobicContact CG-CB 3.64Å; P284-L371 WeakPolarHBondContact O-CB 3.48Å; F286-L371 HydrophobicContact CB-CD1 3.72Å; F286-L371 HydrophobicContact CB-CD2 4.26Å; V359-L371 HydrophobicContact CB-CD2 4.4Å; V359-L371 HydrophobicContact CG1-CD2 3.97Å; V359-L371 HydrophobicContact CG1-CG 4.28Å; V359-L371 HydrophobicContact CG2-CD1 4.49Å; V359-L371 HydrophobicContact CG2-CD2 4.26Å; V362-L371 HydrophobicContact CB-CD2 4Å; V362-L371 HydrophobicContact CG1-CD2 3.69Å; L363-L371 HydrophobicContact CD2-CB 4.02Å; L363-L371 HydrophobicContact CD2-CD2 4.09Å; L363-L371 HydrophobicContact CD2-CG 4.16Å; L363-L371 HydrophobicContact CG-CD2 4.33Å; L371-K397 PolarHBondContact N-O 2.79Å; L371-I398 HydrophobicContact CD1-CD1 4.12Å; L371-R399 PolarHBondContact O-N 3.38Å
372H98.5Very high95.9Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-87.4126.7170.1-59.5-77.5000109.8Q283 P284 V285 F286 R399 S400 L587Q283-H372 VanDerWaalsContact CG-CD2 3.45Å; Q283-H372 WeakPolarHBondContact CG-CD2 3.35Å; Q283-H372 WeakPolarHBondContact CG-NE2 3.16Å; P284-H372 PolarHBondContact O-N 3.24Å; V285-H372 CarbonylContact C-O 3.49Å; V285-H372 WeakPolarHBondContact CA-O 3.42Å; V285-H372 HydrophobicContact CG1-CB 4.38Å; V285-H372 HydrophobicContact CG2-CB 4.22Å; F286-H372 PolarHBondContact N-O 2.57Å; H372-R399 VanDerWaalsContact CE1-CD 3.5Å; H372-R399 WeakPolarHBondContact CE1-CD 3.28Å; H372-S400 PolarHBondContact ND1-OG 2.93Å; H372-L587 HydrophobicContact CB-CD1 3.69Å; H372-L587 VanDerWaalsContact CG-CD1 3.44Å
373Y98.7Very high95.8Very high0 Ų027.3 Ų27.30%015%0.149CC..EExtended strand (participates in β ladder)trans-100.3127177.3-178.5-99.7000110.3F286 Q288 L355 G379 F387 S400 F401 H402F286-Y373 HydrophobicContact CB-CD2 4.42Å; F286-Y373 AromaticContact CD1-CD2 3.72Å; F286-Y373 HydrophobicContact CD1-CD2 3.72Å; F286-Y373 AromaticContact CD1-CE2 3.75Å; F286-Y373 HydrophobicContact CD1-CE2 3.75Å; F286-Y373 HydrophobicContact CE1-CE2 4.15Å; F286-Y373 HydrophobicContact CG-CD2 4.46Å; Q288-Y373 HydrophobicContact CB-CE2 3.69Å; Q288-Y373 VanDerWaalsContact CB-OH 3.26Å; Q288-Y373 WeakPolarHBondContact CB-OH 3.33Å; Q288-Y373 HydrophobicContact CG-CE2 4.34Å; Q288-Y373 VanDerWaalsContact CG-OH 3.23Å; Q288-Y373 WeakPolarHBondContact CG-OH 3.22Å; L355-Y373 HydrophobicContact CD1-CD2 3.95Å; L355-Y373 HydrophobicContact CD1-CE2 3.41Å; L355-Y373 VanDerWaalsContact CD1-CE2 3.41Å; L355-Y373 HydrophobicContact CD2-CE2 4.12Å; L355-Y373 HydrophobicContact CG-CE2 4.45Å; Y373-G379 PolarHBondContact OH-O 3.04Å; Y373-F387 AromaticContact CD1-CE2 3.88Å; Y373-F387 HydrophobicContact CD1-CE2 3.88Å; Y373-F387 AromaticContact CD1-CZ 3.71Å; Y373-F387 HydrophobicContact CD1-CZ 3.71Å; Y373-F387 HydrophobicContact CD2-CZ 4.46Å; Y373-F387 HydrophobicContact CE1-CE2 4.35Å; Y373-F387 HydrophobicContact CE1-CZ 4.16Å; Y373-F387 HydrophobicContact CG-CE2 4.42Å; Y373-F387 AromaticContact CG-CZ 3.87Å; Y373-F387 HydrophobicContact CG-CZ 3.87Å; Y373-S400 PolarHBondContact N-O 2.78Å; Y373-F401 AromaticContact CD1-CD2 3.44Å; Y373-F401 HydrophobicContact CD1-CD2 3.44Å; Y373-F401 VanDerWaalsContact CD1-CD2 3.44Å; Y373-F401 AromaticContact CD1-CE2 3.55Å; Y373-F401 HydrophobicContact CD1-CE2 3.55Å; Y373-F401 HydrophobicContact CD1-CG 4.27Å; Y373-F401 HydrophobicContact CD1-CZ 4.44Å; Y373-F401 HydrophobicContact CE1-CD2 4.03Å; Y373-F401 AromaticContact CE1-CE2 3.63Å; Y373-F401 HydrophobicContact CE1-CE2 3.63Å; Y373-F401 HydrophobicContact CE1-CZ 4.27Å; Y373-F401 CarbonylContact O-C 3.56Å; Y373-F401 WeakPolarHBondContact O-CA 3.45Å; Y373-H402 PolarHBondContact O-N 3.27Å
374V98.6Very high95.6Very high0 Ų026.9 Ų26.90%015%0.147CC..EExtended strand (participates in β ladder)trans-117.8112.9175.6-1720000108.4V285 F286 L287 Q288 W298 H402 F404 F583V285-V374 HydrophobicContact CG1-CG2 3.76Å; F286-V374 PolarHBondContact O-N 3.2Å; L287-V374 HydrophobicContact CD2-CB 3.53Å; L287-V374 HydrophobicContact CD2-CG1 4.12Å; L287-V374 HydrophobicContact CD2-CG2 3.63Å; Q288-V374 PolarHBondContact N-O 3.11Å; W298-V374 HydrophobicContact CH2-CG1 4.2Å; V374-H402 CarbonylContact C-O 3.59Å; V374-H402 VanDerWaalsContact CA-O 3.3Å; V374-H402 WeakPolarHBondContact CA-O 3.49Å; V374-H402 HydrophobicContact CG1-CB 4.37Å; V374-H402 HydrophobicContact CG2-CB 4.27Å; V374-F404 HydrophobicContact CG1-CD2 4.03Å; V374-F404 HydrophobicContact CG1-CE2 3.68Å; V374-F404 HydrophobicContact CG1-CZ 4.12Å; V374-F583 HydrophobicContact CG1-CE2 4.44Å; V374-F583 HydrophobicContact CG2-CE2 3.79Å; V374-F583 HydrophobicContact CG2-CZ 3.74Å
375G97.6Very high95.4Very high0 Ų020.4 Ų20.40%011%0.112CC..EExtended strand (participates in β ladder)trans-102.2146.7177.900000111.6N380 H402 F404G375-N380 WeakPolarHBondContact CA-OD1 2.97Å; G375-N380 PolarHBondContact O-OD1 3.38Å; G375-H402 PolarHBondContact N-O 2.93Å; G375-F404 PolarHBondContact O-N 3.24Å
376Y96.1Very high95.4Very high4 Ų416.4 Ų16.42%0.01610%0.095CC..EExtended strand (participates in β ladder)trans-124128.7168.1169.4-118.1000110.5Q288 G290 Q378 G379 F404 A405 H566 F569 T570Q288-Y376 PolarHBondContact O-N 2.87Å; G290-Y376 VanDerWaalsContact CA-O 3.22Å; G290-Y376 WeakPolarHBondContact CA-O 3.49Å; G290-Y376 PolarHBondContact N-O 3Å; Y376-Q378 PolarHBondContact O-N 2.9Å; Y376-G379 WeakPolarHBondContact O-CA 3.45Å; Y376-G379 PolarHBondContact O-N 2.83Å; Y376-F404 WeakPolarHBondContact CA-O 3.48Å; Y376-F404 HydrophobicContact CD2-CB 4.23Å; Y376-A405 HydrophobicContact CD2-CB 4.17Å; Y376-A405 HydrophobicContact CE2-CB 3.92Å; Y376-H566 VanDerWaalsContact CE2-O 3.25Å; Y376-H566 WeakPolarHBondContact CE2-O 3.2Å; Y376-H566 AromaticContact CZ-NE2 3.96Å; Y376-H566 PolarHBondContact OH-CD2 2.56Å; Y376-H566 VanDerWaalsContact OH-CD2 3.29Å; Y376-H566 PolarHBondContact OH-O 3.4Å; Y376-F569 HydrophobicContact CD2-CB 4.02Å; Y376-F569 HydrophobicContact CE2-CB 3.82Å; Y376-F569 HydrophobicContact CE2-CG 4.46Å; Y376-T570 HydrophobicContact CD1-CG2 3.78Å; Y376-T570 HydrophobicContact CD2-CG2 4.36Å; Y376-T570 HydrophobicContact CE1-CG2 3.9Å; Y376-T570 HydrophobicContact CE2-CG2 4.47Å; Y376-T570 HydrophobicContact CG-CG2 4.02Å
377S93.8Very high95.5Very high7 Ų716.2 Ų16.25%0.0499%0.094CC..EExtended strand (participates in β ladder)trans53.7-119.8175.2-175.70000111.4G379 N380 F404 A405 I407 H566S377-G379 PolarHBondContact O-N 3.38Å; S377-G379 VanDerWaalsContact O-N 3.09Å; S377-N380 PolarHBondContact N-ND2 2.79Å; S377-N380 VanDerWaalsContact N-ND2 3.12Å; S377-N380 VanDerWaalsContact O-CB 3.27Å; S377-N380 WeakPolarHBondContact O-CB 3.43Å; S377-N380 PolarHBondContact O-N 2.61Å; S377-N380 PolarHBondContact O-ND2 2.83Å; S377-F404 PolarHBondContact N-O 2.85Å; S377-F404 VanDerWaalsContact N-O 3.14Å; S377-A405 WeakPolarHBondContact CA-O 3.45Å; S377-A405 PolarHBondContact N-O 2.85Å; S377-I407 VanDerWaalsContact OG-CD1 3.28Å; S377-I407 WeakPolarHBondContact OG-CD1 3.37Å; S377-H566 VanDerWaalsContact CB-NE2 3.33Å; S377-H566 WeakPolarHBondContact CB-NE2 3.44Å; S377-H566 PolarHBondContact OG-CE1 2.91Å; S377-H566 PolarHBondContact OG-NE2 2.69Å
378Q91.8Very high95.5Very high3 Ų39 Ų91%0.0146%0.055CC..Hα-helixtrans-52.4-28.8172.8-175.9-174.9-69.300113.8L291 F347 M350 Y376 N380 L381 I382 N496 F500L291-Q378 HydrophobicContact CB-CB 4.07Å; F347-Q378 HydrophobicContact CB-CG 4.48Å; M350-Q378 PolarHBondContact SD-NE2 3.29Å; Y376-Q378 PolarHBondContact O-N 2.9Å; Q378-N380 PolarHBondContact O-N 3.2Å; Q378-L381 WeakPolarHBondContact O-CB 3.03Å; Q378-L381 PolarHBondContact O-N 3.25Å; Q378-L381 VanDerWaalsContact O-N 3.1Å; Q378-I382 HydrophobicContact CG-CD1 4.19Å; Q378-I382 HydrophobicContact CG-CG1 4.38Å; Q378-I382 WeakPolarHBondContact O-CG1 3.42Å; Q378-I382 PolarHBondContact O-N 2.86Å; Q378-N496 PolarHBondContact OE1-ND2 3.18Å; Q378-F500 HydrophobicContact CB-CZ 3.94Å; Q378-F500 HydrophobicContact CG-CE2 4.12Å; Q378-F500 HydrophobicContact CG-CZ 3.78Å
379G95.8Very high95.4Very high0 Ų011.3 Ų11.30%07%0.067CC..Hα-helixtrans-58.5-29.2174.200000112.6H289 Y373 Y376 S377 G383H289-G379 PolarHBondContact O-N 3.35Å; Y373-G379 PolarHBondContact OH-O 3.04Å; Y376-G379 WeakPolarHBondContact O-CA 3.45Å; Y376-G379 PolarHBondContact O-N 2.83Å; S377-G379 PolarHBondContact O-N 3.38Å; S377-G379 VanDerWaalsContact O-N 3.09Å; G379-G383 PolarHBondContact O-N 3.42Å; G379-G383 VanDerWaalsContact O-N 3.14Å
380N95.3Very high95.4Very high0 Ų08.5 Ų8.50%05%0.049CC..Hα-helixtrans-72.9-43.1174.2-58.2-43.5000111.6G375 S377 Q378 I382 G383 F384 F401 A403 F404 A405 P406G375-N380 WeakPolarHBondContact CA-OD1 2.97Å; G375-N380 PolarHBondContact O-OD1 3.38Å; S377-N380 PolarHBondContact N-ND2 2.79Å; S377-N380 VanDerWaalsContact N-ND2 3.12Å; S377-N380 VanDerWaalsContact O-CB 3.27Å; S377-N380 WeakPolarHBondContact O-CB 3.43Å; S377-N380 PolarHBondContact O-N 2.61Å; S377-N380 PolarHBondContact O-ND2 2.83Å; Q378-N380 PolarHBondContact O-N 3.2Å; N380-I382 VanDerWaalsContact C-N 3.29Å; N380-I382 PolarHBondContact O-N 3.2Å; N380-G383 WeakPolarHBondContact O-CA 3.47Å; N380-G383 PolarHBondContact O-N 2.99Å; N380-G383 VanDerWaalsContact O-N 3.08Å; N380-F384 HydrophobicContact CB-CD2 4.41Å; N380-F384 HydrophobicContact CB-CE2 4.46Å; N380-F384 VanDerWaalsContact O-CD2 3.27Å; N380-F384 WeakPolarHBondContact O-CD2 3.23Å; N380-F384 PolarHBondContact O-N 2.81Å; N380-F401 HydrophobicContact CB-CZ 4.21Å; N380-A403 HydrophobicContact CB-CB 4.37Å; N380-A403 WeakPolarHBondContact OD1-CA 3.45Å; N380-A403 VanDerWaalsContact OD1-CB 3.28Å; N380-A403 WeakPolarHBondContact OD1-CB 3.37Å; N380-F404 PolarHBondContact ND2-O 3.04Å; N380-A405 PolarHBondContact ND2-O 3.03Å; N380-A405 VanDerWaalsContact ND2-O 3.13Å; N380-P406 WeakPolarHBondContact ND2-CA 3.26Å
381L91Very high95.3Very high6 Ų69.8 Ų9.83%0.0316%0.057CC..Hα-helixtrans-56.8-44.4175.9-169.567.3000111.5F347 Q378 A385 I407 F500 L509F347-L381 HydrophobicContact CB-CD2 4.37Å; F347-L381 HydrophobicContact CD1-CD2 3.45Å; F347-L381 VanDerWaalsContact CD1-CD2 3.45Å; F347-L381 HydrophobicContact CD1-CG 4.36Å; F347-L381 HydrophobicContact CD2-CD2 3.78Å; F347-L381 HydrophobicContact CD2-CG 3.78Å; F347-L381 HydrophobicContact CE1-CD2 3.48Å; F347-L381 VanDerWaalsContact CE1-CD2 3.48Å; F347-L381 HydrophobicContact CE1-CG 4.28Å; F347-L381 HydrophobicContact CE2-CD1 4.29Å; F347-L381 HydrophobicContact CE2-CD2 3.84Å; F347-L381 HydrophobicContact CE2-CG 3.72Å; F347-L381 HydrophobicContact CG-CD2 3.6Å; F347-L381 HydrophobicContact CG-CG 4.12Å; F347-L381 HydrophobicContact CZ-CD1 4.3Å; F347-L381 HydrophobicContact CZ-CD2 3.7Å; F347-L381 HydrophobicContact CZ-CG 3.98Å; Q378-L381 WeakPolarHBondContact O-CB 3.03Å; Q378-L381 PolarHBondContact O-N 3.25Å; Q378-L381 VanDerWaalsContact O-N 3.1Å; L381-A385 WeakPolarHBondContact O-CB 3.24Å; L381-A385 PolarHBondContact O-N 3.08Å; L381-I407 PolarHBondContact N-O 2.88Å; L381-F500 HydrophobicContact CD2-CE1 4.38Å; L381-F500 HydrophobicContact CD2-CE2 4.44Å; L381-F500 HydrophobicContact CD2-CZ 3.92Å; L381-L509 HydrophobicContact CD1-CD1 3.87Å; L381-L509 HydrophobicContact CD1-CD2 3.58Å; L381-L509 HydrophobicContact CD1-CG 3.76Å
382I95Very high95.2Very high1 Ų115.9 Ų15.91%0.0059%0.085CC..Hα-helixtrans-61.8-44.1175.3-65.3167.6000110.8V323 F347 M350 A351 L355 Q378 N380 C386V323-I382 HydrophobicContact CG1-CD1 3.99Å; F347-I382 HydrophobicContact CB-CG1 4.25Å; M350-I382 HydrophobicContact CB-CD1 3.84Å; M350-I382 HydrophobicContact CB-CG1 4.05Å; M350-I382 HydrophobicContact CB-CG2 4.46Å; M350-I382 HydrophobicContact SD-CD1 3.93Å; A351-I382 HydrophobicContact CB-CG2 4.3Å; L355-I382 HydrophobicContact CB-CG2 3.89Å; L355-I382 HydrophobicContact CD2-CG2 3.92Å; L355-I382 HydrophobicContact CG-CG2 4.49Å; Q378-I382 HydrophobicContact CG-CD1 4.19Å; Q378-I382 HydrophobicContact CG-CG1 4.38Å; Q378-I382 WeakPolarHBondContact O-CG1 3.42Å; Q378-I382 PolarHBondContact O-N 2.86Å; N380-I382 VanDerWaalsContact C-N 3.29Å; N380-I382 PolarHBondContact O-N 3.2Å; I382-C386 VanDerWaalsContact O-CB 3.22Å; I382-C386 WeakPolarHBondContact O-CB 3.41Å; I382-C386 PolarHBondContact O-N 3.4Å
383G95.6Very high95.2Very high0 Ų018 Ų180%09%0.093CC..Hα-helixtrans-62.5-56.9177.900000112.3G379 N380 A385 C386 F387G379-G383 PolarHBondContact O-N 3.42Å; G379-G383 VanDerWaalsContact O-N 3.14Å; N380-G383 WeakPolarHBondContact O-CA 3.47Å; N380-G383 PolarHBondContact O-N 2.99Å; N380-G383 VanDerWaalsContact O-N 3.08Å; G383-A385 VanDerWaalsContact C-N 3.32Å; G383-A385 PolarHBondContact O-N 3.47Å; G383-C386 PolarHBondContact O-N 3.21Å; G383-F387 WeakPolarHBondContact O-CB 3.25Å; G383-F387 WeakPolarHBondContact O-CD1 3.4Å; G383-F387 WeakPolarHBondContact O-CD2 3.46Å; G383-F387 WeakPolarHBondContact O-CG 3.22Å; G383-F387 PolarHBondContact O-N 2.74Å
384F94.2Very high95.2Very high1 Ų118 Ų180%0.0049%0.093CC..Hα-helixtrans-57.1-43.3178.5-79.4-68000112.5N380 S388 F401 A408 P522 T529 L531 L548N380-F384 HydrophobicContact CB-CD2 4.41Å; N380-F384 HydrophobicContact CB-CE2 4.46Å; N380-F384 VanDerWaalsContact O-CD2 3.27Å; N380-F384 WeakPolarHBondContact O-CD2 3.23Å; N380-F384 PolarHBondContact O-N 2.81Å; F384-S388 WeakPolarHBondContact O-CB 3.44Å; F384-S388 PolarHBondContact O-N 3.45Å; F384-S388 VanDerWaalsContact O-N 3.11Å; F384-S388 PolarHBondContact O-OG 3.01Å; F384-F401 HydrophobicContact CD1-CE1 4.04Å; F384-F401 AromaticContact CD2-CE1 3.71Å; F384-F401 HydrophobicContact CD2-CE1 3.71Å; F384-F401 HydrophobicContact CD2-CZ 4Å; F384-F401 HydrophobicContact CE1-CD1 4.38Å; F384-F401 AromaticContact CE1-CE1 3.86Å; F384-F401 HydrophobicContact CE1-CE1 3.86Å; F384-F401 AromaticContact CE2-CE1 3.49Å; F384-F401 HydrophobicContact CE2-CE1 3.49Å; F384-F401 VanDerWaalsContact CE2-CE1 3.49Å; F384-F401 AromaticContact CE2-CZ 3.81Å; F384-F401 HydrophobicContact CE2-CZ 3.81Å; F384-F401 AromaticContact CG-CE1 3.96Å; F384-F401 HydrophobicContact CG-CE1 3.96Å; F384-F401 HydrophobicContact CZ-CD1 4.28Å; F384-F401 AromaticContact CZ-CE1 3.57Å; F384-F401 HydrophobicContact CZ-CE1 3.57Å; F384-F401 HydrophobicContact CZ-CZ 4.29Å; F384-A408 HydrophobicContact CD2-CB 4.19Å; F384-P522 HydrophobicContact CD1-CB 4.28Å; F384-T529 HydrophobicContact CE1-CG2 4.41Å; F384-T529 HydrophobicContact CZ-CG2 4.1Å; F384-L531 HydrophobicContact CZ-CD2 4.07Å; F384-L548 HydrophobicContact CD1-CD1 4.25Å; F384-L548 HydrophobicContact CD2-CD1 4.46Å; F384-L548 HydrophobicContact CD2-CD2 4.45Å; F384-L548 HydrophobicContact CE1-CD1 3.86Å; F384-L548 HydrophobicContact CE1-CG 4.48Å; F384-L548 HydrophobicContact CE2-CD1 4.12Å; F384-L548 HydrophobicContact CE2-CD2 3.64Å; F384-L548 HydrophobicContact CE2-CG 4.32Å; F384-L548 HydrophobicContact CZ-CD1 3.81Å; F384-L548 HydrophobicContact CZ-CD2 3.74Å; F384-L548 HydrophobicContact CZ-CG 4Å
385A92.1Very high95.1Very high0 Ų024.2 Ų24.20%012%0.12CC..Hα-helixtrans-59.6-50.4175.800000111.7F347 A351 L381 G383 E389 Y520F347-A385 HydrophobicContact CE2-CB 4.48Å; A351-A385 HydrophobicContact CB-CB 3.65Å; L381-A385 WeakPolarHBondContact O-CB 3.24Å; L381-A385 PolarHBondContact O-N 3.08Å; G383-A385 VanDerWaalsContact C-N 3.32Å; G383-A385 PolarHBondContact O-N 3.47Å; A385-E389 WeakPolarHBondContact O-CB 2.99Å; A385-E389 WeakPolarHBondContact O-CG 3.39Å; A385-E389 PolarHBondContact O-N 3.32Å; A385-Y520 HydrophobicContact CB-CD1 3.68Å; A385-Y520 HydrophobicContact CB-CE1 3.35Å; A385-Y520 HydrophobicContact CB-CE2 4.24Å; A385-Y520 HydrophobicContact CB-CG 4.25Å
386C95.5Very high95.1Very high6 Ų629.3 Ų29.34%0.04115%0.148CC..Hα-helixtrans-64.1-48.4-179-1730000112.2A351 L355 I382 G383 S388 E389 A390A351-C386 HydrophobicContact CB-CB 4.25Å; A351-C386 PolarHBondContact O-SG 3.4Å; A351-C386 VanDerWaalsContact O-SG 3.35Å; L355-C386 HydrophobicContact CD2-CB 3.76Å; I382-C386 VanDerWaalsContact O-CB 3.22Å; I382-C386 WeakPolarHBondContact O-CB 3.41Å; I382-C386 PolarHBondContact O-N 3.4Å; G383-C386 PolarHBondContact O-N 3.21Å; C386-S388 VanDerWaalsContact C-N 3.3Å; C386-S388 PolarHBondContact O-N 3.18Å; C386-E389 PolarHBondContact O-N 3.46Å; C386-A390 PolarHBondContact O-N 3.08Å
387F96Very high95.2Very high0 Ų031.9 Ų31.90%016%0.159CC..Hα-helixtrans-73.2-23.8-172.8-50.8-25.5000113.2L355 Y373 G383 P391 W393 A394 I398 F401 N525 V527L355-F387 HydrophobicContact CD2-CE1 3.86Å; L355-F387 HydrophobicContact CD2-CZ 4.14Å; Y373-F387 AromaticContact CD1-CE2 3.88Å; Y373-F387 HydrophobicContact CD1-CE2 3.88Å; Y373-F387 AromaticContact CD1-CZ 3.71Å; Y373-F387 HydrophobicContact CD1-CZ 3.71Å; Y373-F387 HydrophobicContact CD2-CZ 4.46Å; Y373-F387 HydrophobicContact CE1-CE2 4.35Å; Y373-F387 HydrophobicContact CE1-CZ 4.16Å; Y373-F387 HydrophobicContact CG-CE2 4.42Å; Y373-F387 AromaticContact CG-CZ 3.87Å; Y373-F387 HydrophobicContact CG-CZ 3.87Å; G383-F387 WeakPolarHBondContact O-CB 3.25Å; G383-F387 WeakPolarHBondContact O-CD1 3.4Å; G383-F387 WeakPolarHBondContact O-CD2 3.46Å; G383-F387 WeakPolarHBondContact O-CG 3.22Å; G383-F387 PolarHBondContact O-N 2.74Å; F387-P391 WeakPolarHBondContact O-CA 3.46Å; F387-W393 HydrophobicContact CD1-CZ3 4.14Å; F387-W393 HydrophobicContact CE1-CZ3 4.03Å; F387-A394 HydrophobicContact CB-CB 3.78Å; F387-A394 HydrophobicContact CD1-CB 3.84Å; F387-A394 HydrophobicContact CG-CB 4.05Å; F387-I398 HydrophobicContact CD1-CG1 4.15Å; F387-I398 HydrophobicContact CE1-CD1 3.96Å; F387-I398 HydrophobicContact CE1-CG1 3.66Å; F387-I398 HydrophobicContact CE2-CG2 4.42Å; F387-I398 HydrophobicContact CZ-CD1 4.21Å; F387-I398 HydrophobicContact CZ-CG1 4.04Å; F387-I398 HydrophobicContact CZ-CG2 4.19Å; F387-F401 AromaticContact CD2-CD1 3.88Å; F387-F401 HydrophobicContact CD2-CD1 3.88Å; F387-F401 HydrophobicContact CD2-CE1 4.26Å; F387-F401 HydrophobicContact CD2-CG 4.37Å; F387-F401 HydrophobicContact CE2-CB 4.19Å; F387-F401 AromaticContact CE2-CD1 3.74Å; F387-F401 HydrophobicContact CE2-CD1 3.74Å; F387-F401 HydrophobicContact CE2-CD2 4.31Å; F387-F401 HydrophobicContact CE2-CE1 4.13Å; F387-F401 AromaticContact CE2-CG 3.84Å; F387-F401 HydrophobicContact CE2-CG 3.84Å; F387-N525 HydrophobicContact CB-CB 4.42Å; F387-N525 WeakPolarHBondContact CB-OD1 3.45Å; F387-V527 HydrophobicContact CB-CG2 4.46Å; F387-V527 HydrophobicContact CD2-CG2 4.36Å; F387-V527 HydrophobicContact CG-CG2 4.35Å
388S92.9Very high95.5Very high1 Ų131.7 Ų31.71%0.00716%0.158CC..Hα-helixtrans-82.9-34.1176.7-54.90000113F384 C386 H521 P522F384-S388 WeakPolarHBondContact O-CB 3.44Å; F384-S388 PolarHBondContact O-N 3.45Å; F384-S388 VanDerWaalsContact O-N 3.11Å; F384-S388 PolarHBondContact O-OG 3.01Å; C386-S388 VanDerWaalsContact C-N 3.3Å; C386-S388 PolarHBondContact O-N 3.18Å; S388-H521 WeakPolarHBondContact CB-O 3.46Å; S388-H521 PolarHBondContact OG-O 3.41Å; S388-H521 VanDerWaalsContact OG-O 3.12Å; S388-P522 WeakPolarHBondContact OG-CA 3.2Å
389E92.6Very high95.7Very high99 Ų9935.7 Ų35.746%0.46317%0.173SC..Hα-helixtrans-87.4-21.1179.7-64-55.6126.100112.9A385 C386 P391 Y520A385-E389 WeakPolarHBondContact O-CB 2.99Å; A385-E389 WeakPolarHBondContact O-CG 3.39Å; A385-E389 PolarHBondContact O-N 3.32Å; C386-E389 PolarHBondContact O-N 3.46Å; E389-P391 VanDerWaalsContact C-CD 3.44Å; E389-Y520 HydrophobicContact CG-CD1 3.62Å; E389-Y520 HydrophobicContact CG-CE1 3.73Å
390A95.5Very high95.8Very high36 Ų3635.7 Ų35.730%0.29817%0.173SC..SBendtrans-128.161.2175.500000111.6C386 E392 W393 A394C386-A390 PolarHBondContact O-N 3.08Å; A390-E392 PolarHBondContact O-N 3.28Å; A390-W393 HydrophobicContact CB-CB 4.06Å; A390-W393 PolarHBondContact O-N 3.42Å; A390-A394 WeakPolarHBondContact O-CB 3.34Å; A390-A394 PolarHBondContact O-N 3.07Å
391P96.2Very high96Very high41 Ų4135.7 Ų35.727%0.26617%0.173SC..Hα-helixtrans-61.7-41.8-172.424.2-34.2000113.1F387 E389 W393 A394 K395 P526F387-P391 WeakPolarHBondContact O-CA 3.46Å; E389-P391 VanDerWaalsContact C-CD 3.44Å; P391-W393 PolarHBondContact O-N 3.3Å; P391-A394 PolarHBondContact O-N 3.47Å; P391-K395 VanDerWaalsContact O-CB 3.29Å; P391-K395 WeakPolarHBondContact O-CB 3.42Å; P391-K395 PolarHBondContact O-N 3.02Å; P391-P526 HydrophobicContact CB-CG 3.98Å; P391-P526 WeakPolarHBondContact O-CG 3.39Å
392E97.4Very high96.3Very high128 Ų12835.4 Ų35.460%0.59817%0.171SC*.Hα-helixtrans-62.9-44177.7-60.6-53.9136.700111.8A390 A394 K395 D396A390-E392 PolarHBondContact O-N 3.28Å; E392-A394 VanDerWaalsContact C-N 3.32Å; E392-A394 PolarHBondContact O-N 3.27Å; E392-K395 PolarHBondContact O-N 2.88Å; E392-D396 PolarHBondContact O-N 3.02Å; E392-D396 VanDerWaalsContact O-N 3.12Å
393W98Very high96.4Very high44 Ų4435.4 Ų35.417%0.16717%0.171CC..Hα-helixtrans-61-42.5174.7176.598.1000111.2P356 V359 D360 F387 A390 P391 D396 K397 I398P356-W393 HydrophobicContact CB-CZ2 4.04Å; V359-W393 HydrophobicContact CB-CH2 3.78Å; V359-W393 HydrophobicContact CB-CZ2 3.75Å; V359-W393 HydrophobicContact CG1-CH2 3.7Å; V359-W393 HydrophobicContact CG1-CZ2 3.6Å; V359-W393 HydrophobicContact CG2-CH2 4.05Å; D360-W393 PolarHBondContact OD1-NE1 2.84Å; F387-W393 HydrophobicContact CD1-CZ3 4.14Å; F387-W393 HydrophobicContact CE1-CZ3 4.03Å; A390-W393 HydrophobicContact CB-CB 4.06Å; A390-W393 PolarHBondContact O-N 3.42Å; P391-W393 PolarHBondContact O-N 3.3Å; W393-D396 PolarHBondContact O-N 2.89Å; W393-K397 HydrophobicContact CD2-CD 4.16Å; W393-K397 HydrophobicContact CG-CD 4.15Å; W393-K397 HydrophobicContact CZ2-CD 4.08Å; W393-K397 VanDerWaalsContact NE1-CD 3.26Å; W393-K397 VanDerWaalsContact O-CB 3.28Å; W393-K397 WeakPolarHBondContact O-CB 3.35Å; W393-K397 PolarHBondContact O-N 2.81Å; W393-I398 HydrophobicContact CH2-CD1 4.07Å; W393-I398 HydrophobicContact CH2-CG1 4.5Å; W393-I398 HydrophobicContact CZ3-CD1 4.12Å; W393-I398 HydrophobicContact CZ3-CG1 4.07Å
394A98Very high96.5Very high0 Ų035.4 Ų35.40%017%0.171CC..Hα-helixtrans-68.2-41.2-179.200000112.2F387 A390 P391 E392 D396 K397 I398 P526 V527F387-A394 HydrophobicContact CB-CB 3.78Å; F387-A394 HydrophobicContact CD1-CB 3.84Å; F387-A394 HydrophobicContact CG-CB 4.05Å; A390-A394 WeakPolarHBondContact O-CB 3.34Å; A390-A394 PolarHBondContact O-N 3.07Å; P391-A394 PolarHBondContact O-N 3.47Å; E392-A394 VanDerWaalsContact C-N 3.32Å; E392-A394 PolarHBondContact O-N 3.27Å; A394-D396 VanDerWaalsContact C-N 3.31Å; A394-D396 PolarHBondContact O-N 2.85Å; A394-K397 PolarHBondContact O-N 3.45Å; A394-I398 HydrophobicContact CB-CG1 4.49Å; A394-I398 WeakPolarHBondContact O-CA 3.48Å; A394-I398 VanDerWaalsContact O-CB 3.31Å; A394-I398 WeakPolarHBondContact O-CB 3.23Å; A394-I398 PolarHBondContact O-N 2.8Å; A394-P526 HydrophobicContact CB-CG 4.31Å; A394-V527 HydrophobicContact CB-CG2 3.87Å
395K97.1Very high96.5Very high131 Ų13135.3 Ų35.357%0.5717%0.171SC*.Hα-helixtrans-60.1-40.8176.6-176.2-178.7176-173.30111.9P391 E392 P526P391-K395 VanDerWaalsContact O-CB 3.29Å; P391-K395 WeakPolarHBondContact O-CB 3.42Å; P391-K395 PolarHBondContact O-N 3.02Å; E392-K395 PolarHBondContact O-N 2.88Å; K395-P526 HydrophobicContact CB-CB 4.21Å; K395-P526 HydrophobicContact CB-CG 3.88Å
396D97.6Very high96.2Very high108 Ų10835.5 Ų35.558%0.57817%0.172SC*.Hα-helixtrans-76.4-36-179-71.4-14.7000112.6E392 W393 A394E392-D396 PolarHBondContact O-N 3.02Å; E392-D396 VanDerWaalsContact O-N 3.12Å; W393-D396 PolarHBondContact O-N 2.89Å; A394-D396 VanDerWaalsContact C-N 3.31Å; A394-D396 PolarHBondContact O-N 2.85Å
397K98.5Very high95.4Very high57 Ų5735.4 Ų35.425%0.24817%0.171CC..Hα-helixtrans-110.6-15.5-164.7-68.2179.2172-174.70115.3V359 D360 L363 S370 L371 W393 A394V359-K397 HydrophobicContact CG1-CB 4.31Å; D360-K397 VanDerWaalsContact CG-NZ 3.32Å; D360-K397 WeakPolarHBondContact OD1-CD 3Å; D360-K397 WeakPolarHBondContact OD1-CE 3.39Å; D360-K397 IonicContact OD1-NZ 3.79Å; D360-K397 PolarHBondContact OD1-NZ 2.8Å; D360-K397 IonicContact OD2-NZ 2.96Å; L363-K397 HydrophobicContact CD1-CB 3.62Å; L363-K397 HydrophobicContact CD1-CD 3.96Å; L363-K397 HydrophobicContact CD1-CG 3.61Å; S370-K397 CarbonylContact C-O 3.49Å; S370-K397 WeakPolarHBondContact CA-O 3.35Å; S370-K397 WeakPolarHBondContact CB-O 3.39Å; L371-K397 PolarHBondContact N-O 2.79Å; W393-K397 HydrophobicContact CD2-CD 4.16Å; W393-K397 HydrophobicContact CG-CD 4.15Å; W393-K397 HydrophobicContact CZ2-CD 4.08Å; W393-K397 VanDerWaalsContact NE1-CD 3.26Å; W393-K397 VanDerWaalsContact O-CB 3.28Å; W393-K397 WeakPolarHBondContact O-CB 3.35Å; W393-K397 PolarHBondContact O-N 2.81Å; A394-K397 PolarHBondContact O-N 3.45Å
398I98.4Very high94.2Very high4 Ų435.6 Ų35.62%0.02117%0.172CC..EExtended strand (participates in β ladder)trans-116110-178.7-47.5-64.1000109.2V359 L371 F387 W393 A394 V527V359-I398 HydrophobicContact CG1-CD1 4.03Å; V359-I398 HydrophobicContact CG2-CD1 4.24Å; L371-I398 HydrophobicContact CD1-CD1 4.12Å; F387-I398 HydrophobicContact CD1-CG1 4.15Å; F387-I398 HydrophobicContact CE1-CD1 3.96Å; F387-I398 HydrophobicContact CE1-CG1 3.66Å; F387-I398 HydrophobicContact CE2-CG2 4.42Å; F387-I398 HydrophobicContact CZ-CD1 4.21Å; F387-I398 HydrophobicContact CZ-CG1 4.04Å; F387-I398 HydrophobicContact CZ-CG2 4.19Å; W393-I398 HydrophobicContact CH2-CD1 4.07Å; W393-I398 HydrophobicContact CH2-CG1 4.5Å; W393-I398 HydrophobicContact CZ3-CD1 4.12Å; W393-I398 HydrophobicContact CZ3-CG1 4.07Å; A394-I398 HydrophobicContact CB-CG1 4.49Å; A394-I398 WeakPolarHBondContact O-CA 3.48Å; A394-I398 VanDerWaalsContact O-CB 3.31Å; A394-I398 WeakPolarHBondContact O-CB 3.23Å; A394-I398 PolarHBondContact O-N 2.8Å; I398-V527 HydrophobicContact CB-CG1 4.12Å; I398-V527 HydrophobicContact CB-CG2 3.83Å; I398-V527 HydrophobicContact CG2-CB 4.5Å; I398-V527 HydrophobicContact CG2-CG1 3.59Å; I398-V527 HydrophobicContact CG2-CG2 4.1Å
399R97.5Very high93.1Very high87 Ų8736 Ų3633%0.32817%0.174SC..EExtended strand (participates in β ladder)trans-72.3-44.1-177.8-173.6170.6-179.896.24112.2L371 H372 Q590L371-R399 PolarHBondContact O-N 3.38Å; H372-R399 VanDerWaalsContact CE1-CD 3.5Å; H372-R399 WeakPolarHBondContact CE1-CD 3.28Å; R399-Q590 PolarHBondContact NE-O 3.47Å; R399-Q590 PolarHBondContact NH2-O 2.88Å
400S98.1Very high91.7Very high0 Ų032.3 Ų32.30%016%0.157CC..EExtended strand (participates in β ladder)trans-154.9156171.567.40000110.7H372 Y373 H402 P528H372-S400 PolarHBondContact ND1-OG 2.93Å; Y373-S400 PolarHBondContact N-O 2.78Å; S400-H402 PolarHBondContact OG-CD2 2.84Å; S400-H402 PolarHBondContact OG-NE2 2.81Å; S400-P528 CarbonylContact C-O 3.56Å; S400-P528 VanDerWaalsContact CA-O 3.31Å; S400-P528 WeakPolarHBondContact CA-O 3.27Å
401F98Very high90Very high0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans-116.4122.3176.9177.9-162.5000110Y373 N380 F384 F387 A403 V527 P528 T529 A530Y373-F401 AromaticContact CD1-CD2 3.44Å; Y373-F401 HydrophobicContact CD1-CD2 3.44Å; Y373-F401 VanDerWaalsContact CD1-CD2 3.44Å; Y373-F401 AromaticContact CD1-CE2 3.55Å; Y373-F401 HydrophobicContact CD1-CE2 3.55Å; Y373-F401 HydrophobicContact CD1-CG 4.27Å; Y373-F401 HydrophobicContact CD1-CZ 4.44Å; Y373-F401 HydrophobicContact CE1-CD2 4.03Å; Y373-F401 AromaticContact CE1-CE2 3.63Å; Y373-F401 HydrophobicContact CE1-CE2 3.63Å; Y373-F401 HydrophobicContact CE1-CZ 4.27Å; Y373-F401 CarbonylContact O-C 3.56Å; Y373-F401 WeakPolarHBondContact O-CA 3.45Å; N380-F401 HydrophobicContact CB-CZ 4.21Å; F384-F401 HydrophobicContact CD1-CE1 4.04Å; F384-F401 AromaticContact CD2-CE1 3.71Å; F384-F401 HydrophobicContact CD2-CE1 3.71Å; F384-F401 HydrophobicContact CD2-CZ 4Å; F384-F401 HydrophobicContact CE1-CD1 4.38Å; F384-F401 AromaticContact CE1-CE1 3.86Å; F384-F401 HydrophobicContact CE1-CE1 3.86Å; F384-F401 AromaticContact CE2-CE1 3.49Å; F384-F401 HydrophobicContact CE2-CE1 3.49Å; F384-F401 VanDerWaalsContact CE2-CE1 3.49Å; F384-F401 AromaticContact CE2-CZ 3.81Å; F384-F401 HydrophobicContact CE2-CZ 3.81Å; F384-F401 AromaticContact CG-CE1 3.96Å; F384-F401 HydrophobicContact CG-CE1 3.96Å; F384-F401 HydrophobicContact CZ-CD1 4.28Å; F384-F401 AromaticContact CZ-CE1 3.57Å; F384-F401 HydrophobicContact CZ-CE1 3.57Å; F384-F401 HydrophobicContact CZ-CZ 4.29Å; F387-F401 AromaticContact CD2-CD1 3.88Å; F387-F401 HydrophobicContact CD2-CD1 3.88Å; F387-F401 HydrophobicContact CD2-CE1 4.26Å; F387-F401 HydrophobicContact CD2-CG 4.37Å; F387-F401 HydrophobicContact CE2-CB 4.19Å; F387-F401 AromaticContact CE2-CD1 3.74Å; F387-F401 HydrophobicContact CE2-CD1 3.74Å; F387-F401 HydrophobicContact CE2-CD2 4.31Å; F387-F401 HydrophobicContact CE2-CE1 4.13Å; F387-F401 AromaticContact CE2-CG 3.84Å; F387-F401 HydrophobicContact CE2-CG 3.84Å; F401-A403 HydrophobicContact CE2-CB 3.91Å; F401-A403 HydrophobicContact CZ-CB 3.97Å; F401-V527 HydrophobicContact CB-CG1 3.83Å; F401-P528 PolarHBondContact N-O 2.76Å; F401-T529 HydrophobicContact CB-CG2 4.32Å; F401-T529 HydrophobicContact CD1-CG2 3.77Å; F401-T529 HydrophobicContact CE1-CG2 4.4Å; F401-T529 HydrophobicContact CG-CG2 4.18Å; F401-T529 CarbonylContact O-C 3.52Å; F401-T529 VanDerWaalsContact O-CA 3.26Å; F401-T529 WeakPolarHBondContact O-CA 3.38Å; F401-A530 PolarHBondContact O-N 3.35Å
402H98.3Very high88.4Confident0 Ų031.3 Ų31.30%015%0.147CC..EExtended strand (participates in β ladder)trans-114.2114.5175.5-59.3-80.9000109.9Y373 V374 G375 S400 Y532 F583 L587Y373-H402 PolarHBondContact O-N 3.27Å; V374-H402 CarbonylContact C-O 3.59Å; V374-H402 VanDerWaalsContact CA-O 3.3Å; V374-H402 WeakPolarHBondContact CA-O 3.49Å; V374-H402 HydrophobicContact CG1-CB 4.37Å; V374-H402 HydrophobicContact CG2-CB 4.27Å; G375-H402 PolarHBondContact N-O 2.93Å; S400-H402 PolarHBondContact OG-CD2 2.84Å; S400-H402 PolarHBondContact OG-NE2 2.81Å; H402-Y532 HydrophobicContact CB-CE2 3.87Å; H402-Y532 AromaticContact ND1-CE2 3.92Å; H402-Y532 PolarHBondContact ND1-OH 3.39Å; H402-F583 HydrophobicContact CB-CD2 3.88Å; H402-F583 HydrophobicContact CB-CE2 3.66Å; H402-F583 AromaticContact CD2-CE2 3.73Å; H402-F583 AromaticContact CG-CD2 3.8Å; H402-F583 AromaticContact CG-CE2 3.51Å; H402-F583 AromaticContact ND1-CD2 3.91Å; H402-F583 AromaticContact ND1-CE2 4Å; H402-L587 WeakPolarHBondContact NE2-CD1 2.83Å
403A97.4Very high86.7Confident0 Ų025.9 Ų25.90%012%0.123CC..EExtended strand (participates in β ladder)trans-108105.2-172.600000111.7N380 F401 P406 A530 L531 Y532N380-A403 HydrophobicContact CB-CB 4.37Å; N380-A403 WeakPolarHBondContact OD1-CA 3.45Å; N380-A403 VanDerWaalsContact OD1-CB 3.28Å; N380-A403 WeakPolarHBondContact OD1-CB 3.37Å; F401-A403 HydrophobicContact CE2-CB 3.91Å; F401-A403 HydrophobicContact CZ-CB 3.97Å; A403-P406 HydrophobicContact CB-CB 4.06Å; A403-A530 PolarHBondContact N-O 3.05Å; A403-L531 HydrophobicContact CB-CD2 3.82Å; A403-Y532 PolarHBondContact O-N 2.9Å
404F97.1Very high84.9Confident0 Ų030.8 Ų30.80%015%0.145CC..EExtended strand (participates in β ladder)trans-87.5128.2173.5-64.9-21.2000111W298 L307 V374 G375 Y376 S377 N380 Y532 F569 V579 Y580 F583W298-F404 AromaticContact CH2-CD2 3.84Å; W298-F404 HydrophobicContact CH2-CD2 3.84Å; W298-F404 HydrophobicContact CH2-CE2 4.23Å; W298-F404 AromaticContact CZ3-CD2 3.91Å; W298-F404 HydrophobicContact CZ3-CD2 3.91Å; W298-F404 HydrophobicContact CZ3-CE2 4.01Å; L307-F404 HydrophobicContact CD2-CE2 3.5Å; L307-F404 HydrophobicContact CD2-CZ 4.08Å; V374-F404 HydrophobicContact CG1-CD2 4.03Å; V374-F404 HydrophobicContact CG1-CE2 3.68Å; V374-F404 HydrophobicContact CG1-CZ 4.12Å; G375-F404 PolarHBondContact O-N 3.24Å; Y376-F404 WeakPolarHBondContact CA-O 3.48Å; Y376-F404 HydrophobicContact CD2-CB 4.23Å; S377-F404 PolarHBondContact N-O 2.85Å; S377-F404 VanDerWaalsContact N-O 3.14Å; N380-F404 PolarHBondContact ND2-O 3.04Å; F404-Y532 AromaticContact CD1-CD2 3.5Å; F404-Y532 HydrophobicContact CD1-CD2 3.5Å; F404-Y532 VanDerWaalsContact CD1-CD2 3.5Å; F404-Y532 HydrophobicContact CD1-CE2 4.24Å; F404-Y532 AromaticContact CD1-CG 3.68Å; F404-Y532 HydrophobicContact CD1-CG 3.68Å; F404-Y532 HydrophobicContact CE1-CD1 4.2Å; F404-Y532 AromaticContact CE1-CD2 3.57Å; F404-Y532 HydrophobicContact CE1-CD2 3.57Å; F404-Y532 AromaticContact CE1-CE2 3.89Å; F404-Y532 HydrophobicContact CE1-CE2 3.89Å; F404-Y532 AromaticContact CE1-CG 3.75Å; F404-Y532 HydrophobicContact CE1-CG 3.75Å; F404-F569 HydrophobicContact CB-CB 4.34Å; F404-F569 HydrophobicContact CB-CD1 3.65Å; F404-F569 HydrophobicContact CB-CE1 4.23Å; F404-F569 HydrophobicContact CB-CG 4.16Å; F404-F569 HydrophobicContact CD1-CD1 4.34Å; F404-F569 AromaticContact CG-CD1 3.98Å; F404-F569 HydrophobicContact CG-CD1 3.98Å; F404-V579 HydrophobicContact CD1-CG1 4.18Å; F404-V579 HydrophobicContact CE1-CG1 3.95Å; F404-V579 HydrophobicContact CZ-CG1 4.49Å; F404-Y580 HydrophobicContact CE2-CD1 4.36Å; F404-Y580 HydrophobicContact CE2-CE1 4Å; F404-Y580 HydrophobicContact CZ-CD1 4.26Å; F404-Y580 HydrophobicContact CZ-CE1 4.35Å; F404-F583 HydrophobicContact CE1-CB 4.05Å; F404-F583 HydrophobicContact CE1-CD2 4.03Å; F404-F583 HydrophobicContact CE1-CG 4.1Å; F404-F583 HydrophobicContact CZ-CB 3.99Å; F404-F583 HydrophobicContact CZ-CD1 4.18Å; F404-F583 AromaticContact CZ-CD2 3.8Å; F404-F583 HydrophobicContact CZ-CD2 3.8Å; F404-F583 HydrophobicContact CZ-CE2 4.35Å; F404-F583 AromaticContact CZ-CG 3.7Å; F404-F583 HydrophobicContact CZ-CG 3.7Å
405A93.6Very high83.1Confident0 Ų031 Ų310%015%0.147CC..EExtended strand (participates in β ladder)trans48.866.3-171.500000111.3Y376 S377 N380 I407 Y532 D537 H566 F569Y376-A405 HydrophobicContact CD2-CB 4.17Å; Y376-A405 HydrophobicContact CE2-CB 3.92Å; S377-A405 WeakPolarHBondContact CA-O 3.45Å; S377-A405 PolarHBondContact N-O 2.85Å; N380-A405 PolarHBondContact ND2-O 3.03Å; N380-A405 VanDerWaalsContact ND2-O 3.13Å; A405-I407 PolarHBondContact O-N 2.95Å; A405-Y532 PolarHBondContact N-O 2.95Å; A405-D537 WeakPolarHBondContact CB-OD2 3.27Å; A405-H566 WeakPolarHBondContact CB-ND1 3.46Å; A405-F569 HydrophobicContact CB-CD2 3.79Å; A405-F569 HydrophobicContact CB-CE2 3.82Å; A405-F569 HydrophobicContact CB-CG 4.42Å; A405-F569 HydrophobicContact CB-CZ 4.47Å
406P86.9Confident81.1Confident3 Ų326.3 Ų26.32%0.01913%0.132CC..EExtended strand (participates in β ladder)trans-65.3100.5-171.225.9-33.2000112.7N380 A403 L531 Y532 S540 V545 L548N380-P406 WeakPolarHBondContact ND2-CA 3.26Å; A403-P406 HydrophobicContact CB-CB 4.06Å; P406-L531 HydrophobicContact CB-CD2 4.22Å; P406-L531 HydrophobicContact CG-CB 4.46Å; P406-Y532 VanDerWaalsContact CD-O 3.31Å; P406-Y532 WeakPolarHBondContact CD-O 3.05Å; P406-S540 WeakPolarHBondContact CD-OG 3.47Å; P406-S540 PolarHBondContact O-OG 2.9Å; P406-V545 HydrophobicContact CG-CB 4.45Å; P406-V545 HydrophobicContact CG-CG1 3.89Å; P406-V545 HydrophobicContact CG-CG2 3.79Å; P406-L548 HydrophobicContact CB-CD2 3.84Å
407I78.2Confident79.2Confident5 Ų525 Ų253%0.02612%0.121CC..  trans-92.7103.8168.2-60-175.6000108.8S377 L381 A405 L410 M539S377-I407 VanDerWaalsContact OG-CD1 3.28Å; S377-I407 WeakPolarHBondContact OG-CD1 3.37Å; L381-I407 PolarHBondContact N-O 2.88Å; A405-I407 PolarHBondContact O-N 2.95Å; I407-L410 HydrophobicContact CG2-CD2 3.47Å; I407-L410 VanDerWaalsContact CG2-CD2 3.47Å; I407-L410 HydrophobicContact CG2-CG 4.03Å; I407-M539 HydrophobicContact CD1-CB 4.16Å
408A71.8Confident77.4Confident4 Ų423.4 Ų23.43%0.03312%0.119CC..SBendtrans-122-41167.500000110.5F384 L509 L548F384-A408 HydrophobicContact CD2-CB 4.19Å; A408-L509 HydrophobicContact CB-CD1 3.78Å; A408-L509 WeakPolarHBondContact O-CD1 3.42Å; A408-L509 VanDerWaalsContact O-CG 3.26Å; A408-L509 WeakPolarHBondContact O-CG 3.47Å; A408-L548 HydrophobicContact CB-CD1 3.59Å; A408-L548 HydrophobicContact CB-CD2 3.68Å; A408-L548 HydrophobicContact CB-CG 4.15Å
409F68.9Low75.4Confident9 Ų927.5 Ų27.54%0.03915%0.148CC..  trans-107.1143.9170.7-56.5-71.3000109.7L509 P522 D544 R547 L548F409-L509 HydrophobicContact CE1-CB 4.35Å; F409-P522 HydrophobicContact CZ-CG 4.23Å; F409-D544 HydrophobicContact CB-CB 3.91Å; F409-R547 HydrophobicContact CD2-CG 4.43Å; F409-R547 HydrophobicContact CE2-CG 4.26Å; F409-L548 HydrophobicContact CD2-CB 4.26Å; F409-L548 HydrophobicContact CE2-CB 4.07Å; F409-L548 HydrophobicContact CE2-CD1 4.14Å
410L62.4Low73.6Confident21 Ų2126.8 Ų26.811%0.1115%0.15CC..  trans-116.617.2176.1-67.4169.4000111.1I407 N412 V413 R421 F500 V503I407-L410 HydrophobicContact CG2-CD2 3.47Å; I407-L410 VanDerWaalsContact CG2-CD2 3.47Å; I407-L410 HydrophobicContact CG2-CG 4.03Å; L410-N412 VanDerWaalsContact C-N 3.33Å; L410-N412 PolarHBondContact O-N 3.14Å; L410-V413 HydrophobicContact CB-CG2 4.05Å; L410-V413 HydrophobicContact CD2-CG2 3.6Å; L410-V413 HydrophobicContact CG-CG2 4.46Å; L410-R421 PolarHBondContact O-NH2 2.86Å; L410-F500 HydrophobicContact CD1-CD1 3.52Å; L410-F500 HydrophobicContact CD1-CE1 4.06Å; L410-F500 HydrophobicContact CD1-CG 4.35Å; L410-F500 HydrophobicContact CD2-CD1 4.49Å; L410-V503 HydrophobicContact CB-CB 4.31Å; L410-V503 HydrophobicContact CB-CG1 4.22Å; L410-V503 HydrophobicContact CB-CG2 4.44Å; L410-V503 HydrophobicContact CD1-CG2 4.02Å
411G61.8Low71.8Confident9 Ų931.8 Ų31.89%0.09317%0.169CC..THydrogen-bonded Turntrans-63.4-40.6-172.400000112.5R421 D544G411-R421 PolarHBondContact O-NH1 2.79Å; G411-D544 PolarHBondContact N-OD2 3Å; G411-D544 VanDerWaalsContact N-OD2 3.14Å
412N61.5Low70.1Confident47 Ų4736.9 Ų36.925%0.25120%0.202SC..THydrogen-bonded Turntrans-112.311.8-167.9-62.2-67.3000114L410 K414 D541 D544L410-N412 VanDerWaalsContact C-N 3.33Å; L410-N412 PolarHBondContact O-N 3.14Å; N412-K414 PolarHBondContact O-N 2.96Å; N412-D541 HydrophobicContact CB-CB 4.04Å; N412-D541 WeakPolarHBondContact CB-OD1 3.45Å; N412-D544 PolarHBondContact N-OD2 2.87Å; N412-D544 PolarHBondContact ND2-OD1 3.18Å
413V61.4Low68.3Low15 Ų1543.6 Ų43.69%0.09123%0.232CC..  trans-50.8125.5176.6177.20000111.5L410 S415 A418L410-V413 HydrophobicContact CB-CG2 4.05Å; L410-V413 HydrophobicContact CD2-CG2 3.6Å; L410-V413 HydrophobicContact CG-CG2 4.46Å; V413-S415 VanDerWaalsContact CG1-OG 3.27Å; V413-S415 WeakPolarHBondContact CG1-OG 3.42Å; V413-A418 WeakPolarHBondContact O-CB 3.39Å
414K60.2Low66.6Low146 Ų14644.9 Ų44.964%0.63524%0.237SC*.  trans-98.4-10.9-178.8-67.3171.7-179.7140.50113.7N412 L538 D541N412-K414 PolarHBondContact O-N 2.96Å; K414-L538 HydrophobicContact CB-CD2 4.32Å; K414-L538 PolarHBondContact N-O 3.13Å; K414-D541 WeakPolarHBondContact CE-OD2 3.45Å; K414-D541 IonicContact NZ-OD2 2.79Å; K414-D541 PolarHBondContact NZ-OD2 3.34Å
415S60.7Low64.9Low6 Ų655.9 Ų55.94%0.04228%0.279CS..SBendtrans-65.3167.5-178.774.20000113.5V413 F417 A418 L538V413-S415 VanDerWaalsContact CG1-OG 3.27Å; V413-S415 WeakPolarHBondContact CG1-OG 3.42Å; S415-F417 PolarHBondContact O-N 3.4Å; S415-F417 PolarHBondContact OG-N 3.05Å; S415-A418 VanDerWaalsContact O-CB 3.27Å; S415-A418 WeakPolarHBondContact O-CB 3.42Å; S415-A418 PolarHBondContact O-N 3.12Å; S415-L538 PolarHBondContact N-O 3.43Å; S415-L538 VanDerWaalsContact N-O 3.17Å
416A55.6Low63.4Low32 Ų3260.7 Ų60.726%0.26430%0.304SS..THydrogen-bonded Turntrans-58.9-15.6177.200000114.3A418 S419 L467A416-A418 PolarHBondContact O-N 3.49Å; A416-S419 WeakPolarHBondContact O-CB 3.41Å; A416-S419 PolarHBondContact O-N 3.37Å; A416-S419 VanDerWaalsContact O-N 3.16Å; A416-L467 HydrophobicContact CB-CD1 4.03Å; A416-L467 HydrophobicContact CB-CD2 3.88Å; A416-L467 HydrophobicContact CB-CG 3.61Å
417F57.9Low62.1Low79 Ų7962.9 Ų62.935%0.34632%0.315SS..THydrogen-bonded Turntrans-59-33.2168.6-78.7-84.9000112.2F292 S415 S419 I420 M539F292-F417 HydrophobicContact CE2-CE1 4.37Å; F292-F417 HydrophobicContact CE2-CZ 4.06Å; S415-F417 PolarHBondContact O-N 3.4Å; S415-F417 PolarHBondContact OG-N 3.05Å; F417-S419 VanDerWaalsContact C-N 3.27Å; F417-S419 PolarHBondContact O-N 3.19Å; F417-I420 PolarHBondContact O-N 2.84Å; F417-M539 HydrophobicContact CE2-CE 4.43Å
418A59.2Low61.4Low25 Ų2563.8 Ų63.821%0.20732%0.32CS..G310 helixtrans-63.5-32.8176.100000112.4V413 S415 A416 I420 R421V413-A418 WeakPolarHBondContact O-CB 3.39Å; S415-A418 VanDerWaalsContact O-CB 3.27Å; S415-A418 WeakPolarHBondContact O-CB 3.42Å; S415-A418 PolarHBondContact O-N 3.12Å; A416-A418 PolarHBondContact O-N 3.49Å; A418-I420 PolarHBondContact O-N 3.06Å; A418-R421 WeakPolarHBondContact O-CB 3.16Å; A418-R421 VanDerWaalsContact O-CG 3.24Å; A418-R421 WeakPolarHBondContact O-CG 3.3Å; A418-R421 PolarHBondContact O-N 3.09Å
419S57.2Low61Low89 Ų8970.3 Ų70.362%0.62234%0.344SS*.G310 helixtrans-67.5-16179.2-53.20000113.9A416 F417 P422A416-S419 WeakPolarHBondContact O-CB 3.41Å; A416-S419 PolarHBondContact O-N 3.37Å; A416-S419 VanDerWaalsContact O-N 3.16Å; F417-S419 VanDerWaalsContact C-N 3.27Å; F417-S419 PolarHBondContact O-N 3.19Å; S419-P422 WeakPolarHBondContact O-CD 3.33Å
420I59.2Low60.2Low73 Ų7373.8 Ų73.837%0.37436%0.361SS..G310 helixtrans-83.1-19.5178.5-58172.4000111.5F417 A418 P422 F423 F424 L427F417-I420 PolarHBondContact O-N 2.84Å; A418-I420 PolarHBondContact O-N 3.06Å; I420-P422 VanDerWaalsContact C-N 3.34Å; I420-P422 VanDerWaalsContact O-N 3.15Å; I420-F423 PolarHBondContact O-N 3.29Å; I420-F424 PolarHBondContact O-N 2.95Å; I420-L427 HydrophobicContact CG2-CD2 3.62Å
421R61.5Low60.3Low104 Ų10473.8 Ų73.839%0.39236%0.361SS..G310 helixtrans-48-42.9-176.2-70.1177.1-177.6-171.81.9114.5L410 G411 A418 F423 F424L410-R421 PolarHBondContact O-NH2 2.86Å; G411-R421 PolarHBondContact O-NH1 2.79Å; A418-R421 WeakPolarHBondContact O-CB 3.16Å; A418-R421 VanDerWaalsContact O-CG 3.24Å; A418-R421 WeakPolarHBondContact O-CG 3.3Å; A418-R421 PolarHBondContact O-N 3.09Å; R421-F423 VanDerWaalsContact C-N 3.29Å; R421-F423 PolarHBondContact O-N 3.04Å; R421-F424 WeakPolarHBondContact O-CB 3.25Å; R421-F424 PolarHBondContact O-N 3.37Å; R421-F424 VanDerWaalsContact O-N 3.14Å
422P61.9Low60.2Low108 Ų10877.8 Ų77.870%0.70138%0.378SS*.G310 helixtrans-64.6-30.9-179.5-21.734.2000113.9S419 I420 F424S419-P422 WeakPolarHBondContact O-CD 3.33Å; I420-P422 VanDerWaalsContact C-N 3.34Å; I420-P422 VanDerWaalsContact O-N 3.15Å; P422-F424 VanDerWaalsContact C-N 3.29Å
423F60.8Low59.8Low141 Ų14180.3 Ų80.362%0.61839%0.388SS*.G310 helixtrans-89.72.5-180-61-78.4000112.6I420 R421 R425 L426 L427I420-F423 PolarHBondContact O-N 3.29Å; R421-F423 VanDerWaalsContact C-N 3.29Å; R421-F423 PolarHBondContact O-N 3.04Å; F423-R425 PolarHBondContact O-N 3.5Å; F423-L426 PolarHBondContact O-N 2.87Å; F423-L427 WeakPolarHBondContact O-CB 3.37Å; F423-L427 PolarHBondContact O-N 3.26Å
424F60.6Low59.6Low26 Ų2686.6 Ų86.611%0.11441%0.414CS..Hα-helixtrans-64.5-37.8-166.4-171.8-96.1000113.3I420 R421 P422 L426 L427 N428 A498 G501 Q502I420-F424 PolarHBondContact O-N 2.95Å; R421-F424 WeakPolarHBondContact O-CB 3.25Å; R421-F424 PolarHBondContact O-N 3.37Å; R421-F424 VanDerWaalsContact O-N 3.14Å; P422-F424 VanDerWaalsContact C-N 3.29Å; F424-L426 VanDerWaalsContact C-N 3.35Å; F424-L426 PolarHBondContact O-N 3.45Å; F424-L427 PolarHBondContact O-N 2.96Å; F424-N428 HydrophobicContact CD1-CB 4.44Å; F424-N428 HydrophobicContact CE1-CB 3.86Å; F424-N428 HydrophobicContact CZ-CB 3.96Å; F424-N428 WeakPolarHBondContact O-CB 3.3Å; F424-N428 PolarHBondContact O-N 3.37Å; F424-A498 WeakPolarHBondContact CE2-O 3.47Å; F424-A498 HydrophobicContact CZ-CB 4.2Å; F424-A498 WeakPolarHBondContact CZ-O 3.31Å; F424-G501 WeakPolarHBondContact CD1-O 3.49Å; F424-G501 VanDerWaalsContact CE2-C 3.49Å; F424-G501 WeakPolarHBondContact CG-O 3.26Å; F424-G501 VanDerWaalsContact CZ-C 3.41Å; F424-Q502 HydrophobicContact CE1-CB 4.26Å; F424-Q502 HydrophobicContact CE1-CG 3.53Å; F424-Q502 HydrophobicContact CZ-CG 3.81Å
425R62.1Low59.5Low232 Ų23280.1 Ų80.188%0.87539%0.389SS*.Hα-helixtrans-58.6-44.9175.3-79.6-174.9174.3165.9-1.2112.5F423 W429F423-R425 PolarHBondContact O-N 3.5Å; R425-W429 PolarHBondContact O-N 2.72Å; R425-W429 VanDerWaalsContact O-N 3.1Å
426L60.8Low60.1Low101 Ų10184.2 Ų84.253%0.52941%0.406SS..Hα-helixtrans-69.4-43.2177.7178.463.9000111.1F423 F424 W429 M430F423-L426 PolarHBondContact O-N 2.87Å; F424-L426 VanDerWaalsContact C-N 3.35Å; F424-L426 PolarHBondContact O-N 3.45Å; L426-W429 HydrophobicContact CD1-CE3 4.31Å; L426-W429 PolarHBondContact O-N 2.87Å; L426-M430 HydrophobicContact CG-CE 4.13Å; L426-M430 WeakPolarHBondContact O-CG 3.35Å; L426-M430 PolarHBondContact O-N 2.96Å
427L61.5Low61Low49 Ų4986.2 Ų86.226%0.25741%0.41SS..Hα-helixtrans-61.8-45.2177.1-175.462.6000111.1I420 F423 F424 M430 L431I420-L427 HydrophobicContact CG2-CD2 3.62Å; F423-L427 WeakPolarHBondContact O-CB 3.37Å; F423-L427 PolarHBondContact O-N 3.26Å; F424-L427 PolarHBondContact O-N 2.96Å; L427-M430 HydrophobicContact CD1-CE 4.36Å; L427-M430 PolarHBondContact O-N 2.96Å; L427-L431 HydrophobicContact CD1-CD1 4.08Å; L427-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 HydrophobicContact CD1-CG 4.06Å; L427-L431 HydrophobicContact CD2-CD1 4.34Å; L427-L431 HydrophobicContact CG-CD1 3.75Å; L427-L431 HydrophobicContact CG-CG 4.14Å; L427-L431 VanDerWaalsContact O-CB 3.31Å; L427-L431 WeakPolarHBondContact O-CB 3.21Å; L427-L431 WeakPolarHBondContact O-CG 3.38Å; L427-L431 PolarHBondContact O-N 3.43Å
428N61.6Low61.5Low24 Ų2485.6 Ų85.613%0.12841%0.407CS..Hα-helixtrans-60.7-49178-169.241.8000111F424 M430 L431 E432 A498F424-N428 HydrophobicContact CD1-CB 4.44Å; F424-N428 HydrophobicContact CE1-CB 3.86Å; F424-N428 HydrophobicContact CZ-CB 3.96Å; F424-N428 WeakPolarHBondContact O-CB 3.3Å; F424-N428 PolarHBondContact O-N 3.37Å; N428-M430 VanDerWaalsContact C-N 3.33Å; N428-M430 PolarHBondContact O-N 2.74Å; N428-L431 CarbonylContact O-C 3.58Å; N428-L431 PolarHBondContact O-N 2.95Å; N428-L431 VanDerWaalsContact O-N 3.15Å; N428-E432 PolarHBondContact ND2-OE1 3.36Å; N428-E432 WeakPolarHBondContact O-CB 3.16Å; N428-E432 WeakPolarHBondContact O-CG 3.28Å; N428-E432 PolarHBondContact O-N 3.15Å; N428-E432 PolarHBondContact OD1-OE1 2.7Å; N428-A498 WeakPolarHBondContact OD1-CB 3.08Å
429W63.5Low61.4Low141 Ų14185.7 Ų85.753%0.53440%0.404SS..Hα-helixtrans-56.6-45.4174.9176.383.1000112.1R425 L426 E432 Q433R425-W429 PolarHBondContact O-N 2.72Å; R425-W429 VanDerWaalsContact O-N 3.1Å; L426-W429 HydrophobicContact CD1-CE3 4.31Å; L426-W429 PolarHBondContact O-N 2.87Å; W429-E432 PolarHBondContact O-N 2.73Å; W429-Q433 HydrophobicContact CD2-CG 4.42Å; W429-Q433 HydrophobicContact CZ2-CG 4.38Å; W429-Q433 WeakPolarHBondContact O-CB 3.23Å; W429-Q433 VanDerWaalsContact O-CG 3.28Å; W429-Q433 WeakPolarHBondContact O-CG 3.34Å; W429-Q433 PolarHBondContact O-N 3.04Å
430M53.4Low61Low82 Ų8284 Ų8440%0.40439%0.391SS..Hα-helixtrans-64-42.3176.2-72.2-165.7-71.400112.5L426 L427 N428 E432 F434L426-M430 HydrophobicContact CG-CE 4.13Å; L426-M430 WeakPolarHBondContact O-CG 3.35Å; L426-M430 PolarHBondContact O-N 2.96Å; L427-M430 HydrophobicContact CD1-CE 4.36Å; L427-M430 PolarHBondContact O-N 2.96Å; N428-M430 VanDerWaalsContact C-N 3.33Å; N428-M430 PolarHBondContact O-N 2.74Å; M430-E432 VanDerWaalsContact C-N 3.34Å; M430-F434 WeakPolarHBondContact O-CB 3.27Å; M430-F434 WeakPolarHBondContact O-CD2 3.36Å; M430-F434 PolarHBondContact O-N 2.98Å
431L63Low60.5Low20 Ų2088.3 Ų88.311%0.10541%0.407CS..Hα-helixtrans-71-27179.8-69.8177.6000112.5L427 N428 G435 F438 T494 A498L427-L431 HydrophobicContact CD1-CD1 4.08Å; L427-L431 HydrophobicContact CD1-CD2 4.47Å; L427-L431 HydrophobicContact CD1-CG 4.06Å; L427-L431 HydrophobicContact CD2-CD1 4.34Å; L427-L431 HydrophobicContact CG-CD1 3.75Å; L427-L431 HydrophobicContact CG-CG 4.14Å; L427-L431 VanDerWaalsContact O-CB 3.31Å; L427-L431 WeakPolarHBondContact O-CB 3.21Å; L427-L431 WeakPolarHBondContact O-CG 3.38Å; L427-L431 PolarHBondContact O-N 3.43Å; N428-L431 CarbonylContact O-C 3.58Å; N428-L431 PolarHBondContact O-N 2.95Å; N428-L431 VanDerWaalsContact O-N 3.15Å; L431-G435 WeakPolarHBondContact O-CA 3.45Å; L431-G435 PolarHBondContact O-N 3.25Å; L431-F438 HydrophobicContact CD2-CD2 4.43Å; L431-T494 HydrophobicContact CD2-CG2 3.66Å; L431-T494 PolarHBondContact O-OG1 2.92Å; L431-A498 HydrophobicContact CD1-CB 4.22Å
432E59.9Low59.8Low94 Ų9488.5 Ų88.544%0.43941%0.408SS..Hα-helixtrans-76-45.3173.2-76.3173.5-174.100111.3N428 W429 M430N428-E432 PolarHBondContact ND2-OE1 3.36Å; N428-E432 WeakPolarHBondContact O-CB 3.16Å; N428-E432 WeakPolarHBondContact O-CG 3.28Å; N428-E432 PolarHBondContact O-N 3.15Å; N428-E432 PolarHBondContact OD1-OE1 2.7Å; W429-E432 PolarHBondContact O-N 2.73Å; M430-E432 VanDerWaalsContact C-N 3.34Å
433Q54.4Low59.1Low100 Ų10088.7 Ų88.747%0.46740%0.4SS..Hα-helixtrans-73.8-40.9-177.2-64.7-54.9-44.800112.8K340 W429K340-Q433 PolarHBondContact NZ-O 3.29Å; W429-Q433 HydrophobicContact CD2-CG 4.42Å; W429-Q433 HydrophobicContact CZ2-CG 4.38Å; W429-Q433 WeakPolarHBondContact O-CB 3.23Å; W429-Q433 VanDerWaalsContact O-CG 3.28Å; W429-Q433 WeakPolarHBondContact O-CG 3.34Å; W429-Q433 PolarHBondContact O-N 3.04Å
434F57.8Low58.7Low146 Ų14686.8 Ų86.864%0.6439%0.391SS*.Hα-helixtrans-109.50.2-174.9-57.4-74.8000113.7M430M430-F434 WeakPolarHBondContact O-CB 3.27Å; M430-F434 WeakPolarHBondContact O-CD2 3.36Å; M430-F434 PolarHBondContact O-N 2.98Å
435G58.1Low58.3Low11 Ų1187 Ų8711%0.11340%0.395CS..  trans-55.6131.5-175.100000116.1L431 T494L431-G435 WeakPolarHBondContact O-CA 3.45Å; L431-G435 PolarHBondContact O-N 3.25Å; G435-T494 WeakPolarHBondContact CA-OG1 3.37Å
436K72.4Confident57.8Low91 Ų9180.8 Ų80.840%0.39637%0.371SS..SBendtrans-143.3-130.7168.2-67.3-167.6178.4-165.30107.2T338 K340 W343 F438 T494T338-K436 PolarHBondContact O-NZ 3.17Å; K340-K436 HydrophobicContact CG-CD 4.4Å; K340-K436 HydrophobicContact CG-CG 3.97Å; W343-K436 HydrophobicContact CG-CB 4.36Å; K436-F438 PolarHBondContact O-N 2.86Å; K436-T494 PolarHBondContact N-OG1 3.14Å; K436-T494 PolarHBondContact O-N 2.97Å; K436-T494 PolarHBondContact O-OG1 3.17Å
437E73.7Confident57.6Low74 Ų7481.6 Ų81.635%0.34637%0.367SS..EExtended strand (participates in β ladder)trans-64119.7166.3-168.8168.4-152.600110.4K330 W343 L439K330-E437 WeakPolarHBondContact CE-OE1 3.5Å; K330-E437 IonicContact NZ-OE1 3.25Å; K330-E437 PolarHBondContact NZ-OE1 3.49Å; W343-E437 HydrophobicContact CD2-CB 4.07Å; W343-E437 HydrophobicContact CE3-CB 4.24Å; W343-E437 HydrophobicContact CH2-CB 3.67Å; W343-E437 HydrophobicContact CH2-CG 3.44Å; W343-E437 VanDerWaalsContact CH2-CG 3.44Å; W343-E437 HydrophobicContact CZ2-CB 3.5Å; W343-E437 HydrophobicContact CZ2-CG 3.73Å; W343-E437 HydrophobicContact CZ3-CB 4.04Å; W343-E437 HydrophobicContact CZ3-CG 3.91Å; E437-L439 VanDerWaalsContact CD-CD1 3.44Å; E437-L439 HydrophobicContact CG-CB 3.98Å; E437-L439 HydrophobicContact CG-CD1 3.82Å; E437-L439 HydrophobicContact CG-CG 3.77Å; E437-L439 PolarHBondContact O-N 2.98Å; E437-L439 WeakPolarHBondContact OE1-CD1 3.22Å
438F68.5Low57.2Low67 Ų6782.2 Ų82.229%0.29437%0.37SS..EExtended strand (participates in β ladder)trans-79.694.3159.9-168.4-84.5000108.3F292 L431 K436 T492 T494 V497F292-F438 HydrophobicContact CD1-CD1 4.16Å; F292-F438 HydrophobicContact CD1-CE1 4.47Å; F292-F438 AromaticContact CE1-CD1 3.23Å; F292-F438 HydrophobicContact CE1-CD1 3.23Å; F292-F438 AromaticContact CE1-CE1 3.48Å; F292-F438 HydrophobicContact CE1-CE1 3.48Å; F292-F438 VanDerWaalsContact CE1-CE1 3.48Å; F292-F438 HydrophobicContact CE1-CG 4.26Å; F292-F438 HydrophobicContact CE2-CE1 4.39Å; F292-F438 AromaticContact CZ-CD1 3.69Å; F292-F438 HydrophobicContact CZ-CD1 3.69Å; F292-F438 AromaticContact CZ-CE1 3.42Å; F292-F438 HydrophobicContact CZ-CE1 3.42Å; F292-F438 VanDerWaalsContact CZ-CE1 3.42Å; F292-F438 HydrophobicContact CZ-CZ 4.34Å; L431-F438 HydrophobicContact CD2-CD2 4.43Å; K436-F438 PolarHBondContact O-N 2.86Å; F438-T492 WeakPolarHBondContact CA-O 3.39Å; F438-T492 HydrophobicContact CB-CG2 4.34Å; F438-T492 PolarHBondContact N-O 2.56Å; F438-T492 PolarHBondContact O-N 3.01Å; F438-T494 HydrophobicContact CB-CG2 3.95Å; F438-T494 HydrophobicContact CD2-CG2 4.25Å; F438-V497 HydrophobicContact CB-CG2 3.82Å; F438-V497 HydrophobicContact CD1-CG2 3.7Å; F438-V497 HydrophobicContact CD2-CB 4.18Å; F438-V497 HydrophobicContact CD2-CG1 4.21Å; F438-V497 HydrophobicContact CD2-CG2 3.88Å; F438-V497 HydrophobicContact CE1-CG2 4.14Å; F438-V497 HydrophobicContact CE2-CB 4.45Å; F438-V497 HydrophobicContact CE2-CG1 3.97Å; F438-V497 HydrophobicContact CE2-CG2 4.33Å; F438-V497 HydrophobicContact CG-CB 4.32Å; F438-V497 HydrophobicContact CG-CG2 3.52Å; F438-V497 HydrophobicContact CZ-CG1 4.15Å; F438-V497 HydrophobicContact CZ-CG2 4.43Å
439L58.2Low57Low27 Ų2781.9 Ų81.914%0.14137%0.373CS..SBendtrans-144.7135.6165.9-84.9-177.1000106.9E437 K441 S489 G491E437-L439 VanDerWaalsContact CD-CD1 3.44Å; E437-L439 HydrophobicContact CG-CB 3.98Å; E437-L439 HydrophobicContact CG-CD1 3.82Å; E437-L439 HydrophobicContact CG-CG 3.77Å; E437-L439 PolarHBondContact O-N 2.98Å; E437-L439 WeakPolarHBondContact OE1-CD1 3.22Å; L439-K441 PolarHBondContact O-N 3.37Å; L439-K441 VanDerWaalsContact O-N 3.08Å; L439-S489 WeakPolarHBondContact CD2-O 3.42Å; L439-S489 WeakPolarHBondContact CD2-OG 3.5Å; L439-G491 VanDerWaalsContact CG-CA 3.49Å
440P48.5Very low56.8Low53 Ų5377.1 Ų77.134%0.34436%0.363SS..  trans-60.4117.2143.21.916.1000104.1R442 F444 V445P440-R442 PolarHBondContact O-N 3.25Å; P440-F444 HydrophobicContact CB-CD1 3.4Å; P440-F444 VanDerWaalsContact CB-CD1 3.4Å; P440-F444 HydrophobicContact CB-CE1 4Å; P440-F444 HydrophobicContact CB-CG 4.36Å; P440-V445 HydrophobicContact CB-CG2 3.44Å; P440-V445 VanDerWaalsContact CB-CG2 3.44Å; P440-V445 HydrophobicContact CG-CG2 3.5Å; P440-V445 VanDerWaalsContact O-CG2 3.27Å; P440-V445 WeakPolarHBondContact O-CG2 3.2Å
441K47.5Very low56.9Low164 Ų16476 Ų7671%0.71336%0.356SS*.  trans-38.4139.6-176.1-71.2-178.5176.51790109.8L439 Q443 F444 V445L439-K441 PolarHBondContact O-N 3.37Å; L439-K441 VanDerWaalsContact O-N 3.08Å; K441-Q443 CarbonylContact O-C 3.56Å; K441-Q443 PolarHBondContact O-N 3.2Å; K441-F444 HydrophobicContact CB-CB 4.32Å; K441-F444 VanDerWaalsContact O-CA 3.3Å; K441-F444 WeakPolarHBondContact O-CA 3.26Å; K441-F444 WeakPolarHBondContact O-CB 3.43Å; K441-F444 PolarHBondContact O-N 3.16Å; K441-V445 PolarHBondContact O-N 3.37Å
442R48.2Very low56.7Low107 Ų10776.8 Ų76.840%0.40436%0.36SS..Hα-helixtrans-41.8-38.4178.5-70.8-178.7177.2169.72.6113.2T327 P440 R446T327-R442 PolarHBondContact OG1-NH2 3.21Å; P440-R442 PolarHBondContact O-N 3.25Å; R442-R446 WeakPolarHBondContact O-CB 3.16Å; R442-R446 WeakPolarHBondContact O-CD 3.46Å; R442-R446 WeakPolarHBondContact O-CG 3.39Å; R442-R446 PolarHBondContact O-N 3.35Å; R442-R446 VanDerWaalsContact O-N 3.09Å
443Q47.6Very low56.7Low113 Ų11374 Ų7453%0.52835%0.351SS..Hα-helixtrans-66.8-38.2174.7-61.5-175.35.500114.4K441 W447K441-Q443 CarbonylContact O-C 3.56Å; K441-Q443 PolarHBondContact O-N 3.2Å; Q443-W447 WeakPolarHBondContact O-CB 3.27Å; Q443-W447 PolarHBondContact O-N 3.02Å
444F50.7Low57Low100 Ų10071 Ų7144%0.43934%0.341SS..Hα-helixtrans-72.4-46.7176.4-176.9-90.4000112.4P440 K441 R446 W447 L448P440-F444 HydrophobicContact CB-CD1 3.4Å; P440-F444 VanDerWaalsContact CB-CD1 3.4Å; P440-F444 HydrophobicContact CB-CE1 4Å; P440-F444 HydrophobicContact CB-CG 4.36Å; K441-F444 HydrophobicContact CB-CB 4.32Å; K441-F444 VanDerWaalsContact O-CA 3.3Å; K441-F444 WeakPolarHBondContact O-CA 3.26Å; K441-F444 WeakPolarHBondContact O-CB 3.43Å; K441-F444 PolarHBondContact O-N 3.16Å; F444-R446 VanDerWaalsContact C-N 3.31Å; F444-R446 PolarHBondContact O-N 2.89Å; F444-W447 HydrophobicContact CD2-CE3 4.21Å; F444-W447 HydrophobicContact CE2-CE3 4.11Å; F444-W447 HydrophobicContact CE2-CZ3 4.01Å; F444-W447 HydrophobicContact CZ-CZ3 4.47Å; F444-W447 PolarHBondContact O-N 3.44Å; F444-L448 HydrophobicContact CE1-CD2 4.2Å; F444-L448 VanDerWaalsContact O-CB 3.24Å; F444-L448 WeakPolarHBondContact O-CB 2.88Å; F444-L448 PolarHBondContact O-N 3.42Å
445V53.2Low57.2Low32 Ų3266.2 Ų66.219%0.19433%0.332CS..Hα-helixtrans-60.8-44.5174.3179.90000110.2P440 K441 W447 L448 G449P440-V445 HydrophobicContact CB-CG2 3.44Å; P440-V445 VanDerWaalsContact CB-CG2 3.44Å; P440-V445 HydrophobicContact CG-CG2 3.5Å; P440-V445 VanDerWaalsContact O-CG2 3.27Å; P440-V445 WeakPolarHBondContact O-CG2 3.2Å; K441-V445 PolarHBondContact O-N 3.37Å; V445-W447 PolarHBondContact O-N 2.72Å; V445-L448 PolarHBondContact O-N 3.42Å; V445-G449 PolarHBondContact O-N 3.44Å
446R52.4Low57.1Low100 Ų10077.3 Ų77.338%0.37737%0.371SS..Hα-helixtrans-62.9-41.8175.6-73.9176.159.9-142.9-13.2112.3E124 P135 R442 F444 A450E124-R446 IonicContact OE1-NH2 3.95Å; E124-R446 PolarHBondContact OE1-NH2 3.37Å; E124-R446 IonicContact OE2-CZ 3.8Å; E124-R446 IonicContact OE2-NH2 3.51Å; E124-R446 PolarHBondContact OE2-NH2 2.92Å; P135-R446 VanDerWaalsContact CB-CZ 3.44Å; R442-R446 WeakPolarHBondContact O-CB 3.16Å; R442-R446 WeakPolarHBondContact O-CD 3.46Å; R442-R446 WeakPolarHBondContact O-CG 3.39Å; R442-R446 PolarHBondContact O-N 3.35Å; R442-R446 VanDerWaalsContact O-N 3.09Å; F444-R446 VanDerWaalsContact C-N 3.31Å; F444-R446 PolarHBondContact O-N 2.89Å; R446-A450 WeakPolarHBondContact O-CB 3.31Å; R446-A450 PolarHBondContact O-N 2.7Å
447W55.5Low56.3Low119 Ų11974.6 Ų74.645%0.45137%0.366SS..Hα-helixtrans-61-47.2174172.392.9000111.1Q443 F444 V445 A450 K451Q443-W447 WeakPolarHBondContact O-CB 3.27Å; Q443-W447 PolarHBondContact O-N 3.02Å; F444-W447 HydrophobicContact CD2-CE3 4.21Å; F444-W447 HydrophobicContact CE2-CE3 4.11Å; F444-W447 HydrophobicContact CE2-CZ3 4.01Å; F444-W447 HydrophobicContact CZ-CZ3 4.47Å; F444-W447 PolarHBondContact O-N 3.44Å; V445-W447 PolarHBondContact O-N 2.72Å; W447-A450 PolarHBondContact O-N 2.94Å; W447-K451 HydrophobicContact CD2-CG 4.06Å; W447-K451 HydrophobicContact CG-CG 4.38Å; W447-K451 HydrophobicContact CZ2-CD 4.48Å; W447-K451 HydrophobicContact CZ2-CG 4.21Å; W447-K451 VanDerWaalsContact NE1-CE 3.33Å; W447-K451 VanDerWaalsContact O-CB 3.29Å; W447-K451 WeakPolarHBondContact O-CB 3.33Å; W447-K451 WeakPolarHBondContact O-CG 3.28Å; W447-K451 PolarHBondContact O-N 2.73Å
448L53Low55.8Low61 Ų6172.5 Ų72.532%0.31936%0.361SS..Hα-helixtrans-63.9-46.3179.8-168.769.3000110.6F444 V445 K451 I452F444-L448 HydrophobicContact CE1-CD2 4.2Å; F444-L448 VanDerWaalsContact O-CB 3.24Å; F444-L448 WeakPolarHBondContact O-CB 2.88Å; F444-L448 PolarHBondContact O-N 3.42Å; V445-L448 PolarHBondContact O-N 3.42Å; L448-K451 PolarHBondContact O-N 2.98Å; L448-I452 HydrophobicContact CD1-CD1 3.37Å; L448-I452 HydrophobicContact CD1-CG1 4.06Å; L448-I452 HydrophobicContact CG-CD1 3.75Å; L448-I452 HydrophobicContact CG-CG1 4.36Å; L448-I452 WeakPolarHBondContact O-CB 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.32Å; L448-I452 WeakPolarHBondContact O-CG1 3.4Å; L448-I452 PolarHBondContact O-N 2.98Å
449G57.9Low55.6Low18 Ų1874.9 Ų74.919%0.18638%0.376CS..Hα-helixtrans-62-44.8174.800000112.4V445 K451 C453V445-G449 PolarHBondContact O-N 3.44Å; G449-K451 VanDerWaalsContact C-N 3.3Å; G449-K451 PolarHBondContact O-N 2.93Å; G449-C453 VanDerWaalsContact O-CA 3.25Å; G449-C453 WeakPolarHBondContact O-CA 3.31Å; G449-C453 WeakPolarHBondContact O-CB 3.44Å; G449-C453 PolarHBondContact O-N 3.05Å; G449-C453 PolarHBondContact O-SG 3.38Å; G449-C453 VanDerWaalsContact O-SG 3.4Å
450A58.7Low55.7Low40 Ų4078.2 Ų78.233%0.33139%0.394SS..Hα-helixtrans-64.5-34.5174.700000112.4R446 W447 S454R446-A450 WeakPolarHBondContact O-CB 3.31Å; R446-A450 PolarHBondContact O-N 2.7Å; W447-A450 PolarHBondContact O-N 2.94Å; A450-S454 PolarHBondContact O-OG 3.34Å
451K55.4Low56.4Low59 Ų5976 Ų7626%0.25738%0.379SS..Hα-helixtrans-75.3-46.2179.5-71.9-79175.9167.80112.7K118 W447 L448 G449K118-K451 VanDerWaalsContact CB-NZ 3.34Å; K118-K451 HydrophobicContact CD-CD 4.33Å; K118-K451 VanDerWaalsContact CD-NZ 3.27Å; K118-K451 HydrophobicContact CG-CD 3.83Å; W447-K451 HydrophobicContact CD2-CG 4.06Å; W447-K451 HydrophobicContact CG-CG 4.38Å; W447-K451 HydrophobicContact CZ2-CD 4.48Å; W447-K451 HydrophobicContact CZ2-CG 4.21Å; W447-K451 VanDerWaalsContact NE1-CE 3.33Å; W447-K451 VanDerWaalsContact O-CB 3.29Å; W447-K451 WeakPolarHBondContact O-CB 3.33Å; W447-K451 WeakPolarHBondContact O-CG 3.28Å; W447-K451 PolarHBondContact O-N 2.73Å; L448-K451 PolarHBondContact O-N 2.98Å; G449-K451 VanDerWaalsContact C-N 3.3Å; G449-K451 PolarHBondContact O-N 2.93Å
452I59.3Low57Low36 Ų3672.4 Ų72.419%0.18536%0.364CS..Hα-helixtrans-94.9-35.1-171.7-51.7-175.7000110.3L448 S454 A457 A458 L460 C461L448-I452 HydrophobicContact CD1-CD1 3.37Å; L448-I452 HydrophobicContact CD1-CG1 4.06Å; L448-I452 HydrophobicContact CG-CD1 3.75Å; L448-I452 HydrophobicContact CG-CG1 4.36Å; L448-I452 WeakPolarHBondContact O-CB 3.38Å; L448-I452 VanDerWaalsContact O-CG1 3.32Å; L448-I452 WeakPolarHBondContact O-CG1 3.4Å; L448-I452 PolarHBondContact O-N 2.98Å; I452-S454 VanDerWaalsContact C-N 3.33Å; I452-S454 PolarHBondContact O-N 3.13Å; I452-A457 CarbonylContact O-C 3.53Å; I452-A457 WeakPolarHBondContact O-CB 3.44Å; I452-A458 WeakPolarHBondContact O-CA 3.48Å; I452-A458 PolarHBondContact O-N 3.34Å; I452-A458 VanDerWaalsContact O-N 3.09Å; I452-L460 HydrophobicContact CG2-CB 3.85Å; I452-L460 HydrophobicContact CG2-CD2 4.02Å; I452-L460 HydrophobicContact CG2-CG 3.86Å; I452-C461 VanDerWaalsContact C-CB 3.43Å; I452-C461 HydrophobicContact CB-CB 4.11Å; I452-C461 HydrophobicContact CG2-CB 3.63Å; I452-C461 VanDerWaalsContact CG2-N 3.29Å; I452-C461 WeakPolarHBondContact O-CB 3.27Å
453C60.7Low57.7Low36 Ų3673.5 Ų73.524%0.24337%0.371CS..SBendtrans-89.414.6-176-44.40000114.7G449 C461 L485G449-C453 VanDerWaalsContact O-CA 3.25Å; G449-C453 WeakPolarHBondContact O-CA 3.31Å; G449-C453 WeakPolarHBondContact O-CB 3.44Å; G449-C453 PolarHBondContact O-N 3.05Å; G449-C453 PolarHBondContact O-SG 3.38Å; G449-C453 VanDerWaalsContact O-SG 3.4Å; C453-C461 HydrophobicContact CB-CB 3.59Å; C453-C461 WeakPolarHBondContact CB-SG 3.41Å; C453-C461 WeakPolarHBondContact SG-CB 3.36Å; C453-C461 CovalentContact SG-SG 2.01Å; C453-C461 PolarHBondContact SG-SG 2.85Å; C453-L485 HydrophobicContact CB-CD1 3.98Å; C453-L485 VanDerWaalsContact SG-CD1 3.53Å
454S58.8Low58.2Low37 Ų3770.6 Ų70.626%0.25936%0.361SS..SBendtrans-129147.1177.976.60000113.2A450 I452A450-S454 PolarHBondContact O-OG 3.34Å; I452-S454 VanDerWaalsContact C-N 3.33Å; I452-S454 PolarHBondContact O-N 3.13Å
455G62.7Low58.7Low45 Ų4567.2 Ų67.246%0.46435%0.348SS..G310 helixtrans62.9-141.8178.400000113.9A457 A458G455-A457 PolarHBondContact O-N 2.74Å; G455-A458 VanDerWaalsContact O-CB 3.26Å; G455-A458 WeakPolarHBondContact O-CB 3.47Å; G455-A458 PolarHBondContact O-N 2.88Å; G455-A458 VanDerWaalsContact O-N 3.14Å
456R56.2Low58.9Low244 Ų24468.4 Ų68.492%0.92135%0.353SS*.G310 helixtrans-63.6-24.8-179.3-70.8-175179.5173.7-1.2113.5A458R456-A458 VanDerWaalsContact C-N 3.3Å
457A56.6Low59Low35 Ų3568.7 Ų68.729%0.28936%0.361SS..G310 helixtrans-77.8-14.8178.200000112.7I452 G455 L459 L460 C461I452-A457 CarbonylContact O-C 3.53Å; I452-A457 WeakPolarHBondContact O-CB 3.44Å; G455-A457 PolarHBondContact O-N 2.74Å; A457-L459 PolarHBondContact O-N 3.41Å; A457-L460 WeakPolarHBondContact O-CA 3.37Å; A457-L460 VanDerWaalsContact O-CB 3.23Å; A457-L460 WeakPolarHBondContact O-CB 3.45Å; A457-L460 PolarHBondContact O-N 3.43Å; A457-C461 PolarHBondContact O-N 3.28Å
458A62.2Low59.2Low30 Ų3067.2 Ų67.225%0.24836%0.361CS..Hα-helixtrans-54-30.8-175.100000113.1I452 G455 R456 C461 K462I452-A458 WeakPolarHBondContact O-CA 3.48Å; I452-A458 PolarHBondContact O-N 3.34Å; I452-A458 VanDerWaalsContact O-N 3.09Å; G455-A458 VanDerWaalsContact O-CB 3.26Å; G455-A458 WeakPolarHBondContact O-CB 3.47Å; G455-A458 PolarHBondContact O-N 2.88Å; G455-A458 VanDerWaalsContact O-N 3.14Å; R456-A458 VanDerWaalsContact C-N 3.3Å; A458-C461 PolarHBondContact O-N 2.8Å; A458-K462 WeakPolarHBondContact O-CG 3.4Å; A458-K462 PolarHBondContact O-N 3.33Å
459L63.4Low59.7Low116 Ų11664.8 Ų64.861%0.60735%0.351SS*.Hα-helixtrans-63-39.9172.6-171.268.2000112.7A457 C461 K462 K463A457-L459 PolarHBondContact O-N 3.41Å; L459-C461 VanDerWaalsContact C-N 3.34Å; L459-K462 PolarHBondContact O-N 2.81Å; L459-K463 WeakPolarHBondContact O-CG 3.19Å; L459-K463 PolarHBondContact O-N 2.92Å
460L60.9Low60.6Low97 Ų9764.3 Ų64.351%0.50834%0.344SS..Hα-helixtrans-66.1-37.6175.2-173.964.1000111.2I452 A457 K463 V464I452-L460 HydrophobicContact CG2-CB 3.85Å; I452-L460 HydrophobicContact CG2-CD2 4.02Å; I452-L460 HydrophobicContact CG2-CG 3.86Å; A457-L460 WeakPolarHBondContact O-CA 3.37Å; A457-L460 VanDerWaalsContact O-CB 3.23Å; A457-L460 WeakPolarHBondContact O-CB 3.45Å; A457-L460 PolarHBondContact O-N 3.43Å; L460-K463 WeakPolarHBondContact O-CB 3.32Å; L460-K463 PolarHBondContact O-N 2.82Å; L460-V464 WeakPolarHBondContact O-CG2 3.27Å; L460-V464 PolarHBondContact O-N 2.84Å
461C62.6Low61.6Low6 Ų662.6 Ų62.64%0.04133%0.329CS..Hα-helixtrans-67.6-43.4175.5165.90000111.2I452 C453 A457 A458 L459 K463 V464 L465I452-C461 VanDerWaalsContact C-CB 3.43Å; I452-C461 HydrophobicContact CB-CB 4.11Å; I452-C461 HydrophobicContact CG2-CB 3.63Å; I452-C461 VanDerWaalsContact CG2-N 3.29Å; I452-C461 WeakPolarHBondContact O-CB 3.27Å; C453-C461 HydrophobicContact CB-CB 3.59Å; C453-C461 WeakPolarHBondContact CB-SG 3.41Å; C453-C461 WeakPolarHBondContact SG-CB 3.36Å; C453-C461 CovalentContact SG-SG 2.01Å; C453-C461 PolarHBondContact SG-SG 2.85Å; A457-C461 PolarHBondContact O-N 3.28Å; A458-C461 PolarHBondContact O-N 2.8Å; L459-C461 VanDerWaalsContact C-N 3.34Å; C461-K463 VanDerWaalsContact C-N 3.25Å; C461-K463 PolarHBondContact O-N 2.96Å; C461-V464 PolarHBondContact O-N 2.78Å; C461-L465 WeakPolarHBondContact O-CB 3.15Å; C461-L465 VanDerWaalsContact O-CG 3.27Å; C461-L465 WeakPolarHBondContact O-CG 3.5Å; C461-L465 PolarHBondContact O-N 2.67Å; C461-L465 WeakPolarHBondContact SG-CD1 3.3Å
462K60.9Low62.7Low90 Ų9063.2 Ų63.239%0.39133%0.333SS..Hα-helixtrans-52.3-48.8170.8-73.7-177.4178.3-172.20110A458 L459 L465 L466 Y471A458-K462 WeakPolarHBondContact O-CG 3.4Å; A458-K462 PolarHBondContact O-N 3.33Å; L459-K462 PolarHBondContact O-N 2.81Å; K462-L465 PolarHBondContact O-N 2.92Å; K462-L466 VanDerWaalsContact O-CB 3.29Å; K462-L466 WeakPolarHBondContact O-CB 3.38Å; K462-L466 WeakPolarHBondContact O-CD1 3.42Å; K462-L466 WeakPolarHBondContact O-CG 3.31Å; K462-L466 PolarHBondContact O-N 3.43Å; K462-Y471 WeakPolarHBondContact CA-OH 3.23Å; K462-Y471 PolarHBondContact O-OH 3.02Å
463K62.3Low63.4Low129 Ų12964.2 Ų64.256%0.56134%0.342SS*.Hα-helixtrans-60.7-44.8176.5-70.8-176.6177.9-167.40114.4L459 L460 C461 L466 L467L459-K463 WeakPolarHBondContact O-CG 3.19Å; L459-K463 PolarHBondContact O-N 2.92Å; L460-K463 WeakPolarHBondContact O-CB 3.32Å; L460-K463 PolarHBondContact O-N 2.82Å; C461-K463 VanDerWaalsContact C-N 3.25Å; C461-K463 PolarHBondContact O-N 2.96Å; K463-L466 WeakPolarHBondContact O-CB 3.36Å; K463-L466 PolarHBondContact O-N 2.87Å; K463-L467 WeakPolarHBondContact O-CB 3.41Å; K463-L467 PolarHBondContact O-N 3.32Å
464V59.7Low64.4Low53 Ų5371 Ų7132%0.32137%0.367SS..Hα-helixtrans-67.6-39.4179.2170.50000111.3L460 C461 L467 I468L460-V464 WeakPolarHBondContact O-CG2 3.27Å; L460-V464 PolarHBondContact O-N 2.84Å; C461-V464 PolarHBondContact O-N 2.78Å; V464-L467 WeakPolarHBondContact O-CB 3.32Å; V464-L467 PolarHBondContact O-N 2.91Å; V464-I468 HydrophobicContact CG1-CD1 3.66Å; V464-I468 HydrophobicContact CG1-CG1 4.44Å; V464-I468 WeakPolarHBondContact O-CB 3.44Å; V464-I468 VanDerWaalsContact O-CG1 3.31Å; V464-I468 WeakPolarHBondContact O-CG1 3.34Å; V464-I468 PolarHBondContact O-N 2.83Å
465L60.9Low65.6Low28 Ų2869.4 Ų69.415%0.14736%0.356CS..Hα-helixtrans-71.2-35175-67.4172.6000112C461 K462 L467 I468 G469 Y471 M481 L485C461-L465 WeakPolarHBondContact O-CB 3.15Å; C461-L465 VanDerWaalsContact O-CG 3.27Å; C461-L465 WeakPolarHBondContact O-CG 3.5Å; C461-L465 PolarHBondContact O-N 2.67Å; C461-L465 WeakPolarHBondContact SG-CD1 3.3Å; K462-L465 PolarHBondContact O-N 2.92Å; L465-L467 VanDerWaalsContact C-N 3.26Å; L465-I468 PolarHBondContact O-N 3.08Å; L465-G469 VanDerWaalsContact O-CA 3.27Å; L465-G469 WeakPolarHBondContact O-CA 3.39Å; L465-G469 PolarHBondContact O-N 3.38Å; L465-Y471 HydrophobicContact CB-CE1 3.64Å; L465-M481 HydrophobicContact CD1-CE 4.32Å; L465-M481 HydrophobicContact CD1-SD 3.75Å; L465-L485 HydrophobicContact CD1-CD1 4.16Å; L465-L485 HydrophobicContact CD1-CD2 3.49Å; L465-L485 VanDerWaalsContact CD1-CD2 3.49Å; L465-L485 HydrophobicContact CD1-CG 4.23Å; L465-L485 HydrophobicContact CD2-CD2 3.46Å; L465-L485 VanDerWaalsContact CD2-CD2 3.46Å; L465-L485 HydrophobicContact CG-CD2 4.07Å
466L56.1Low66.5Low58 Ų5867.7 Ų67.730%0.30434%0.336SS..Hα-helixtrans-60-43.3170.7-75.2167.4000109.5K462 K463 D470 Y471 P473K462-L466 VanDerWaalsContact O-CB 3.29Å; K462-L466 WeakPolarHBondContact O-CB 3.38Å; K462-L466 WeakPolarHBondContact O-CD1 3.42Å; K462-L466 WeakPolarHBondContact O-CG 3.31Å; K462-L466 PolarHBondContact O-N 3.43Å; K463-L466 WeakPolarHBondContact O-CB 3.36Å; K463-L466 PolarHBondContact O-N 2.87Å; L466-D470 WeakPolarHBondContact O-CA 3.41Å; L466-D470 PolarHBondContact O-N 2.88Å; L466-D470 VanDerWaalsContact O-N 3.11Å; L466-Y471 HydrophobicContact CB-CE1 4.44Å; L466-Y471 HydrophobicContact CD2-CD1 3.95Å; L466-Y471 HydrophobicContact CD2-CD2 4.34Å; L466-Y471 HydrophobicContact CD2-CE1 3.8Å; L466-Y471 HydrophobicContact CD2-CE2 4.2Å; L466-Y471 HydrophobicContact CD2-CG 4.22Å; L466-Y471 WeakPolarHBondContact CD2-O 3.37Å; L466-Y471 HydrophobicContact CG-CD1 4.42Å; L466-Y471 HydrophobicContact CG-CE1 3.85Å; L466-P473 HydrophobicContact CD2-CG 4.4Å
467L54.9Low67.5Low105 Ų10557.3 Ų57.355%0.5530%0.299SS..Hα-helixtrans-67.2-40.1180-16585.4000113.5A416 K463 V464 L465A416-L467 HydrophobicContact CB-CD1 4.03Å; A416-L467 HydrophobicContact CB-CD2 3.88Å; A416-L467 HydrophobicContact CB-CG 3.61Å; K463-L467 WeakPolarHBondContact O-CB 3.41Å; K463-L467 PolarHBondContact O-N 3.32Å; V464-L467 WeakPolarHBondContact O-CB 3.32Å; V464-L467 PolarHBondContact O-N 2.91Å; L465-L467 VanDerWaalsContact C-N 3.26Å
468I59Low68.1Low89 Ų8958.6 Ų58.646%0.45631%0.31SS..Hα-helixtrans-91.2-37.8-174.5-65.5171.2000112.1V464 L465 M539V464-I468 HydrophobicContact CG1-CD1 3.66Å; V464-I468 HydrophobicContact CG1-CG1 4.44Å; V464-I468 WeakPolarHBondContact O-CB 3.44Å; V464-I468 VanDerWaalsContact O-CG1 3.31Å; V464-I468 WeakPolarHBondContact O-CG1 3.34Å; V464-I468 PolarHBondContact O-N 2.83Å; L465-I468 PolarHBondContact O-N 3.08Å; I468-M539 WeakPolarHBondContact O-CE 3.46Å
469G64.9Low68.3Low10 Ų1062.7 Ų62.710%0.10333%0.331CS..Hα-helixtrans-99-33.2-170.100000113.7L465 L567L465-G469 VanDerWaalsContact O-CA 3.27Å; L465-G469 WeakPolarHBondContact O-CA 3.39Å; L465-G469 PolarHBondContact O-N 3.38Å; G469-L567 VanDerWaalsContact CA-CD1 3.43Å; G469-L567 WeakPolarHBondContact O-CD1 3.4Å; G469-L567 WeakPolarHBondContact O-CG 3.49Å
470D76.4Confident68.6Low7 Ų759.8 Ų59.84%0.03731%0.312CS..  trans58.495.7-169.9-178.742.2000112.9L466 D537 L538 H565 H566 L567L466-D470 WeakPolarHBondContact O-CA 3.41Å; L466-D470 PolarHBondContact O-N 2.88Å; L466-D470 VanDerWaalsContact O-N 3.11Å; D470-D537 WeakPolarHBondContact OD2-CA 3.18Å; D470-L538 HydrophobicContact CB-CB 4.26Å; D470-L538 HydrophobicContact CB-CD1 4.42Å; D470-L538 HydrophobicContact CB-CG 4.49Å; D470-L538 PolarHBondContact OD2-N 3.14Å; D470-H565 IonicContact OD1-CE1 3.93Å; D470-H565 IonicContact OD1-CG 2.68Å; D470-H565 IonicContact OD1-ND1 2.82Å; D470-H565 PolarHBondContact OD1-ND1 3.45Å; D470-H565 IonicContact OD2-ND1 3.57Å; D470-H566 HydrophobicContact CB-CB 3.93Å; D470-H566 PolarHBondContact O-N 3.22Å; D470-H566 WeakPolarHBondContact OD2-CB 3.26Å; D470-H566 PolarHBondContact OD2-N 3.04Å; D470-L567 WeakPolarHBondContact O-CB 3.28Å; D470-L567 PolarHBondContact O-N 2.81Å
471Y78.9Confident69Low4 Ų456.2 Ų56.22%0.01629%0.293CS..  trans-149.3160.3178.274.2-84.2000110.1K462 L465 L466 P473 I476 M481 L567K462-Y471 WeakPolarHBondContact CA-OH 3.23Å; K462-Y471 PolarHBondContact O-OH 3.02Å; L465-Y471 HydrophobicContact CB-CE1 3.64Å; L466-Y471 HydrophobicContact CB-CE1 4.44Å; L466-Y471 HydrophobicContact CD2-CD1 3.95Å; L466-Y471 HydrophobicContact CD2-CD2 4.34Å; L466-Y471 HydrophobicContact CD2-CE1 3.8Å; L466-Y471 HydrophobicContact CD2-CE2 4.2Å; L466-Y471 HydrophobicContact CD2-CG 4.22Å; L466-Y471 WeakPolarHBondContact CD2-O 3.37Å; L466-Y471 HydrophobicContact CG-CD1 4.42Å; L466-Y471 HydrophobicContact CG-CE1 3.85Å; Y471-P473 HydrophobicContact CE2-CG 4.46Å; Y471-I476 HydrophobicContact CD2-CD1 3.53Å; Y471-I476 HydrophobicContact CD2-CG1 3.84Å; Y471-I476 HydrophobicContact CD2-CG2 4.11Å; Y471-I476 HydrophobicContact CE2-CD1 3.27Å; Y471-I476 HydrophobicContact CE2-CG1 3.89Å; Y471-M481 HydrophobicContact CE2-CE 4.39Å; Y471-L567 HydrophobicContact CD1-CD1 4.4Å
472H78.9Confident68.9Low73 Ų7359 Ų5934%0.33831%0.311SS..  trans-99.5135169.2-167.9-101.3000112.2K474 S475H472-K474 WeakPolarHBondContact ND1-CB 3.3Å; H472-K474 PolarHBondContact ND1-N 3.25Å; H472-K474 PolarHBondContact O-N 2.82Å; H472-S475 WeakPolarHBondContact O-CB 3.32Å; H472-S475 PolarHBondContact O-N 3.44Å
473P75Confident69.2Low57 Ų5757.1 Ų57.137%0.3731%0.307SS..THydrogen-bonded Turntrans-59.7-23.1-178.3-26.535.5000115.5L466 Y471L466-P473 HydrophobicContact CD2-CG 4.4Å; Y471-P473 HydrophobicContact CE2-CG 4.46Å
474K80.8Confident69.7Low177 Ų17751 Ų5177%0.7728%0.28SS*.THydrogen-bonded Turntrans-84.6-20174.6-60.5-176.7-175.9173.70113H472H472-K474 WeakPolarHBondContact ND1-CB 3.3Å; H472-K474 PolarHBondContact ND1-N 3.25Å; H472-K474 PolarHBondContact O-N 2.82Å
475S84.3Confident70Confident5 Ų550 Ų504%0.03527%0.273CS..THydrogen-bonded Turntrans-77.7-26.3-178.5-62.70000112.3H472 D568 G572 L573H472-S475 WeakPolarHBondContact O-CB 3.32Å; H472-S475 PolarHBondContact O-N 3.44Å; S475-D568 WeakPolarHBondContact CB-OD1 3.25Å; S475-D568 WeakPolarHBondContact CB-OD2 3.39Å; S475-D568 PolarHBondContact OG-OD2 3.4Å; S475-G572 CarbonylContact O-C 3.5Å; S475-G572 WeakPolarHBondContact O-CA 3.27Å; S475-L573 WeakPolarHBondContact O-CG 3.21Å; S475-L573 PolarHBondContact O-N 3.44Å
476I81.4Confident70.1Confident9 Ų950.3 Ų50.35%0.04628%0.28CS..SBendtrans-104.9153-175.563.1161.9000112.9Y471 A478 M481 Y484 W571Y471-I476 HydrophobicContact CD2-CD1 3.53Å; Y471-I476 HydrophobicContact CD2-CG1 3.84Å; Y471-I476 HydrophobicContact CD2-CG2 4.11Å; Y471-I476 HydrophobicContact CE2-CD1 3.27Å; Y471-I476 HydrophobicContact CE2-CG1 3.89Å; I476-A478 PolarHBondContact O-N 2.63Å; I476-A478 VanDerWaalsContact O-N 3.1Å; I476-M481 HydrophobicContact CD1-CE 3.23Å; I476-Y484 HydrophobicContact CB-CE2 4.19Å; I476-W571 HydrophobicContact CG2-CB 4Å
477N76.5Confident70.8Confident26 Ų2648 Ų4814%0.13927%0.268CS..  trans-75.5102.4170.9-171.5-22.2000110.6T479 R480 Y484 L573N477-T479 PolarHBondContact O-N 3.41Å; N477-T479 WeakPolarHBondContact OD1-CB 3.27Å; N477-T479 PolarHBondContact OD1-N 3.15Å; N477-T479 PolarHBondContact OD1-OG1 3.35Å; N477-R480 HydrophobicContact CB-CB 4.17Å; N477-R480 HydrophobicContact CB-CG 3.96Å; N477-R480 WeakPolarHBondContact O-CA 3.4Å; N477-R480 WeakPolarHBondContact O-CB 3.35Å; N477-R480 PolarHBondContact O-N 3.1Å; N477-Y484 WeakPolarHBondContact O-CE2 3.39Å; N477-L573 HydrophobicContact CB-CD1 4.11Å; N477-L573 HydrophobicContact CB-CD2 4.39Å
478A69.9Low71.2Confident62 Ų6244 Ų4451%0.51225%0.249SC..G310 helixtrans-54.9-29.9-179.300000114I476 R480 M481I476-A478 PolarHBondContact O-N 2.63Å; I476-A478 VanDerWaalsContact O-N 3.1Å; A478-R480 VanDerWaalsContact C-N 3.26Å; A478-R480 PolarHBondContact O-N 2.85Å; A478-M481 WeakPolarHBondContact O-CB 3.49Å; A478-M481 PolarHBondContact O-N 3.15Å
479T66.2Low71.6Confident115 Ų11541 Ų4171%0.70624%0.235SC*.G310 helixtrans-72.3-20.1177.668.30000113.2N477N477-T479 PolarHBondContact O-N 3.41Å; N477-T479 WeakPolarHBondContact OD1-CB 3.27Å; N477-T479 PolarHBondContact OD1-N 3.15Å; N477-T479 PolarHBondContact OD1-OG1 3.35Å
480R70.1Confident71.8Confident55 Ų5540.6 Ų40.621%0.20823%0.231CC..G310 helixtrans-91.9-2176.7-64.1-174.871.178-2.5113.7I300 N477 A478 P482 V483 Y484I300-R480 VanDerWaalsContact O-CZ 3.28Å; I300-R480 PolarHBondContact O-NE 3.33Å; I300-R480 VanDerWaalsContact O-NE 3.12Å; I300-R480 PolarHBondContact O-NH2 3.06Å; N477-R480 HydrophobicContact CB-CB 4.17Å; N477-R480 HydrophobicContact CB-CG 3.96Å; N477-R480 WeakPolarHBondContact O-CA 3.4Å; N477-R480 WeakPolarHBondContact O-CB 3.35Å; N477-R480 PolarHBondContact O-N 3.1Å; A478-R480 VanDerWaalsContact C-N 3.26Å; A478-R480 PolarHBondContact O-N 2.85Å; R480-P482 VanDerWaalsContact C-N 3.28Å; R480-P482 VanDerWaalsContact O-N 3.12Å; R480-V483 WeakPolarHBondContact O-CA 3.44Å; R480-V483 VanDerWaalsContact O-CB 3.28Å; R480-V483 WeakPolarHBondContact O-CB 3.42Å; R480-V483 PolarHBondContact O-N 2.88Å; R480-Y484 HydrophobicContact CB-CD2 4.25Å; R480-Y484 HydrophobicContact CB-CE1 4.16Å; R480-Y484 HydrophobicContact CB-CE2 3.66Å; R480-Y484 PolarHBondContact O-N 2.93Å
481M69.9Low71.7Confident23 Ų2340.4 Ų40.411%0.11323%0.231CC..Hα-helixtrans-48.3-40.9179-174.561.675.400114.4L465 Y471 I476 A478 V483 Y484 L485L465-M481 HydrophobicContact CD1-CE 4.32Å; L465-M481 HydrophobicContact CD1-SD 3.75Å; Y471-M481 HydrophobicContact CE2-CE 4.39Å; I476-M481 HydrophobicContact CD1-CE 3.23Å; A478-M481 WeakPolarHBondContact O-CB 3.49Å; A478-M481 PolarHBondContact O-N 3.15Å; M481-V483 VanDerWaalsContact C-N 3.29Å; M481-V483 PolarHBondContact O-N 2.82Å; M481-Y484 PolarHBondContact O-N 3.29Å; M481-L485 HydrophobicContact CG-CD1 3.8Å; M481-L485 HydrophobicContact CG-CG 4.32Å; M481-L485 WeakPolarHBondContact O-CB 3.27Å; M481-L485 VanDerWaalsContact O-CG 3.28Å; M481-L485 WeakPolarHBondContact O-CG 3.43Å; M481-L485 PolarHBondContact O-N 2.97Å; M481-L485 HydrophobicContact SD-CD1 3.99Å; M481-L485 HydrophobicContact SD-CD2 4.48Å; M481-L485 HydrophobicContact SD-CG 3.98Å
482P59.3Low72Confident63 Ų6340.5 Ų40.541%0.40923%0.232SC..Hα-helixtrans-62-33.9174.5-23.635.6000113.9R480 A486R480-P482 VanDerWaalsContact C-N 3.28Å; R480-P482 VanDerWaalsContact O-N 3.12Å; P482-A486 WeakPolarHBondContact O-CB 3.49Å; P482-A486 PolarHBondContact O-N 2.74Å
483V66.9Low72.4Confident51 Ų5137 Ų3731%0.30922%0.216SC..Hα-helixtrans-69.4-51.7176.2-177.70000109.2I300 R480 M481 L485 A486 H487I300-V483 HydrophobicContact CG1-CG1 4.07Å; R480-V483 WeakPolarHBondContact O-CA 3.44Å; R480-V483 VanDerWaalsContact O-CB 3.28Å; R480-V483 WeakPolarHBondContact O-CB 3.42Å; R480-V483 PolarHBondContact O-N 2.88Å; M481-V483 VanDerWaalsContact C-N 3.29Å; M481-V483 PolarHBondContact O-N 2.82Å; V483-L485 VanDerWaalsContact C-N 3.27Å; V483-L485 PolarHBondContact O-N 3.45Å; V483-A486 PolarHBondContact O-N 3.37Å; V483-A486 VanDerWaalsContact O-N 3.07Å; V483-H487 PolarHBondContact O-CD2 3.49Å; V483-H487 PolarHBondContact O-N 3.08Å
484Y73Confident72.6Confident0 Ų034.8 Ų34.80%020%0.201CC..Hα-helixtrans-50.9-48.1176.2-60.5-37000112I300 N301 I476 N477 R480 M481 A486 H487 S488 W571I300-Y484 HydrophobicContact CD1-CD1 3.83Å; I300-Y484 HydrophobicContact CG1-CD1 3.8Å; I300-Y484 HydrophobicContact CG1-CE1 4.21Å; I300-Y484 HydrophobicContact CG2-CD1 4.09Å; I300-Y484 HydrophobicContact CG2-CE1 3.98Å; N301-Y484 WeakPolarHBondContact OD1-CE1 3.27Å; N301-Y484 PolarHBondContact OD1-OH 3.22Å; I476-Y484 HydrophobicContact CB-CE2 4.19Å; N477-Y484 WeakPolarHBondContact O-CE2 3.39Å; R480-Y484 HydrophobicContact CB-CD2 4.25Å; R480-Y484 HydrophobicContact CB-CE1 4.16Å; R480-Y484 HydrophobicContact CB-CE2 3.66Å; R480-Y484 PolarHBondContact O-N 2.93Å; M481-Y484 PolarHBondContact O-N 3.29Å; Y484-A486 PolarHBondContact O-N 3.31Å; Y484-H487 PolarHBondContact O-N 3.34Å; Y484-S488 VanDerWaalsContact O-CB 3.28Å; Y484-S488 WeakPolarHBondContact O-CB 3.35Å; Y484-S488 PolarHBondContact O-N 3.1Å; Y484-W571 HydrophobicContact CD1-CD2 4.02Å; Y484-W571 HydrophobicContact CD1-CG 4.09Å; Y484-W571 HydrophobicContact CD2-CD2 4.49Å; Y484-W571 HydrophobicContact CD2-CE3 4.25Å; Y484-W571 HydrophobicContact CE1-CB 4.45Å; Y484-W571 HydrophobicContact CE1-CG 4.3Å; Y484-W571 AromaticContact CG-CD2 3.98Å; Y484-W571 HydrophobicContact CG-CD2 3.98Å; Y484-W571 HydrophobicContact CG-CE3 4.05Å; Y484-W571 HydrophobicContact CG-CG 4.46Å; Y484-W571 HydrophobicContact CG-CH2 4.47Å; Y484-W571 HydrophobicContact CG-CZ2 4.35Å; Y484-W571 HydrophobicContact CG-CZ3 4.32Å
485L66.7Low72.5Confident32 Ų3228.8 Ų28.817%0.16818%0.176CC..Hα-helixtrans-72.7-26.1-179.3-66.6170.6000114.8C453 L465 M481 V483 H487C453-L485 HydrophobicContact CB-CD1 3.98Å; C453-L485 VanDerWaalsContact SG-CD1 3.53Å; L465-L485 HydrophobicContact CD1-CD1 4.16Å; L465-L485 HydrophobicContact CD1-CD2 3.49Å; L465-L485 VanDerWaalsContact CD1-CD2 3.49Å; L465-L485 HydrophobicContact CD1-CG 4.23Å; L465-L485 HydrophobicContact CD2-CD2 3.46Å; L465-L485 VanDerWaalsContact CD2-CD2 3.46Å; L465-L485 HydrophobicContact CG-CD2 4.07Å; M481-L485 HydrophobicContact CG-CD1 3.8Å; M481-L485 HydrophobicContact CG-CG 4.32Å; M481-L485 WeakPolarHBondContact O-CB 3.27Å; M481-L485 VanDerWaalsContact O-CG 3.28Å; M481-L485 WeakPolarHBondContact O-CG 3.43Å; M481-L485 PolarHBondContact O-N 2.97Å; M481-L485 HydrophobicContact SD-CD1 3.99Å; M481-L485 HydrophobicContact SD-CD2 4.48Å; M481-L485 HydrophobicContact SD-CG 3.98Å; V483-L485 VanDerWaalsContact C-N 3.27Å; V483-L485 PolarHBondContact O-N 3.45Å; L485-H487 PolarHBondContact O-N 2.94Å
486A63.4Low72.6Confident35 Ų3528.5 Ų28.529%0.28917%0.174SC..Hα-helixtrans-68.5-22.5175.600000112.1P482 V483 Y484P482-A486 WeakPolarHBondContact O-CB 3.49Å; P482-A486 PolarHBondContact O-N 2.74Å; V483-A486 PolarHBondContact O-N 3.37Å; V483-A486 VanDerWaalsContact O-N 3.07Å; Y484-A486 PolarHBondContact O-N 3.31Å
487H69.8Low72.4Confident10 Ų1029 Ų295%0.04618%0.178CC..Hα-helixtrans-116.8-8.9-173.8-67.4-71.1000114.4E238 I296 I300 V483 Y484 L485 S489E238-H487 IonicContact OE2-CE1 3.12Å; I296-H487 HydrophobicContact CG2-CB 3.65Å; I300-H487 HydrophobicContact CD1-CB 3.77Å; V483-H487 PolarHBondContact O-CD2 3.49Å; V483-H487 PolarHBondContact O-N 3.08Å; Y484-H487 PolarHBondContact O-N 3.34Å; L485-H487 PolarHBondContact O-N 2.94Å; H487-S489 VanDerWaalsContact C-N 3.26Å; H487-S489 PolarHBondContact O-N 3.22Å
488S64.8Low72.2Confident22 Ų2228 Ų2815%0.15417%0.173CC..SBendtrans-76.70.6-174.869.80000116Y484Y484-S488 VanDerWaalsContact O-CB 3.28Å; Y484-S488 WeakPolarHBondContact O-CB 3.35Å; Y484-S488 PolarHBondContact O-N 3.1Å
489S65.7Low72.4Confident25 Ų2525.1 Ų25.118%0.17515%0.149CC..  trans-139.970.1-171.2179.70000111.6F292 L439 H487F292-S489 WeakPolarHBondContact O-CA 3.34Å; L439-S489 WeakPolarHBondContact CD2-O 3.42Å; L439-S489 WeakPolarHBondContact CD2-OG 3.5Å; H487-S489 VanDerWaalsContact C-N 3.26Å; H487-S489 PolarHBondContact O-N 3.22Å
490D70.5Confident72.7Confident1 Ų121.2 Ų21.21%0.00512%0.122CC..  trans-89.4-8.7-179-77.9-34.4000114.7F292 S294 N326 T327 K330F292-D490 PolarHBondContact O-N 3.48Å; S294-D490 WeakPolarHBondContact CB-OD2 3.46Å; S294-D490 PolarHBondContact OG-OD2 2.78Å; N326-D490 CarbonylContact C-O 3.58Å; N326-D490 WeakPolarHBondContact CA-O 3.45Å; N326-D490 HydrophobicContact CB-CB 4.33Å; T327-D490 WeakPolarHBondContact CB-OD1 3.48Å; T327-D490 PolarHBondContact N-O 3.4Å; T327-D490 VanDerWaalsContact N-O 3.11Å; T327-D490 PolarHBondContact OG1-OD1 3.48Å; K330-D490 PolarHBondContact NZ-O 3.36Å
491G73.2Confident72.4Confident4 Ų419.8 Ų19.84%0.04112%0.124CC..  trans82.1166.6167.700000114.3L439L439-G491 VanDerWaalsContact CG-CA 3.49Å
492T85.8Confident71.9Confident5 Ų520.9 Ų20.93%0.03113%0.129CC..EExtended strand (participates in β ladder)trans-157.1179.6178.2-178.20000108.5L291 F292 F438 N496 V497L291-T492 HydrophobicContact CD1-CG2 4.03Å; F292-T492 HydrophobicContact CD1-CG2 3.81Å; F292-T492 HydrophobicContact CE1-CG2 3.53Å; F438-T492 WeakPolarHBondContact CA-O 3.39Å; F438-T492 HydrophobicContact CB-CG2 4.34Å; F438-T492 PolarHBondContact N-O 2.56Å; F438-T492 PolarHBondContact O-N 3.01Å; T492-N496 HydrophobicContact CG2-CB 4.36Å; T492-N496 VanDerWaalsContact OG1-CB 3.27Å; T492-N496 WeakPolarHBondContact OG1-CB 3.38Å; T492-N496 PolarHBondContact OG1-ND2 3.46Å; T492-V497 HydrophobicContact CG2-CG2 3.71Å
493S86.3Confident71.7Confident0 Ų018.9 Ų18.90%012%0.115CC..EExtended strand (participates in β ladder)trans-68150.216760.90000112.3W343 F345 M495 N496 V497W343-S493 WeakPolarHBondContact O-CB 3.27Å; F345-S493 WeakPolarHBondContact CE2-OG 3.04Å; F345-S493 WeakPolarHBondContact O-CB 3.39Å; F345-S493 PolarHBondContact O-OG 3.35Å; S493-M495 PolarHBondContact O-N 2.78Å; S493-N496 PolarHBondContact O-N 2.92Å; S493-N496 WeakPolarHBondContact OG-CB 3.21Å; S493-N496 PolarHBondContact OG-N 3.39Å; S493-V497 PolarHBondContact O-N 3.26Å
494T79Confident70.9Confident10 Ų1021.4 Ų21.46%0.06113%0.133CC..Hα-helixtrans-60.1-31.6167.1530000112.6L431 G435 K436 F438 V497 A498L431-T494 HydrophobicContact CD2-CG2 3.66Å; L431-T494 PolarHBondContact O-OG1 2.92Å; G435-T494 WeakPolarHBondContact CA-OG1 3.37Å; K436-T494 PolarHBondContact N-OG1 3.14Å; K436-T494 PolarHBondContact O-N 2.97Å; K436-T494 PolarHBondContact O-OG1 3.17Å; F438-T494 HydrophobicContact CB-CG2 3.95Å; F438-T494 HydrophobicContact CD2-CG2 4.25Å; T494-V497 PolarHBondContact O-N 3Å; T494-A498 WeakPolarHBondContact O-CB 3.3Å; T494-A498 PolarHBondContact O-N 3.26Å
495M80.2Confident69.4Low51 Ų5126.9 Ų26.925%0.25116%0.162SC..Hα-helixtrans-64.9-38175.4-68.8-171.9176.600112.1R344 F345 T346 S493 A498 H499R344-M495 HydrophobicContact CB-CE 4.42Å; R344-M495 HydrophobicContact CB-SD 4.09Å; R344-M495 HydrophobicContact CG-CE 3.87Å; R344-M495 HydrophobicContact CG-SD 4.18Å; F345-M495 WeakPolarHBondContact O-CB 3.39Å; T346-M495 HydrophobicContact CG2-CB 4.03Å; S493-M495 PolarHBondContact O-N 2.78Å; M495-A498 WeakPolarHBondContact O-CB 3.34Å; M495-A498 PolarHBondContact O-N 3.41Å; M495-H499 PolarHBondContact O-N 2.66Å
496N85.5Confident68.4Low0 Ų031.5 Ų31.50%018%0.181CC..Hα-helixtrans-63.6-44.3174.6-169.644000110.6F345 F347 Q378 T492 S493 A498 H499 F500F345-N496 PolarHBondContact O-N 3.17Å; F347-N496 PolarHBondContact N-OD1 2.91Å; Q378-N496 PolarHBondContact OE1-ND2 3.18Å; T492-N496 HydrophobicContact CG2-CB 4.36Å; T492-N496 VanDerWaalsContact OG1-CB 3.27Å; T492-N496 WeakPolarHBondContact OG1-CB 3.38Å; T492-N496 PolarHBondContact OG1-ND2 3.46Å; S493-N496 PolarHBondContact O-N 2.92Å; S493-N496 WeakPolarHBondContact OG-CB 3.21Å; S493-N496 PolarHBondContact OG-N 3.39Å; N496-A498 VanDerWaalsContact C-N 3.33Å; N496-A498 PolarHBondContact O-N 3.23Å; N496-H499 WeakPolarHBondContact O-CB 3.44Å; N496-H499 PolarHBondContact O-N 2.88Å; N496-H499 VanDerWaalsContact O-N 3.1Å; N496-F500 WeakPolarHBondContact O-CD2 3.24Å; N496-F500 PolarHBondContact O-N 3.42Å
497V77.3Confident67.4Low20 Ų2036.1 Ų36.112%0.12120%0.196CC..Hα-helixtrans-63.4-40.2176.7-179.90000111.9F292 F438 T492 S493 T494 H499 F500F292-V497 HydrophobicContact CE1-CG2 3.61Å; F292-V497 HydrophobicContact CZ-CG2 3.66Å; F438-V497 HydrophobicContact CB-CG2 3.82Å; F438-V497 HydrophobicContact CD1-CG2 3.7Å; F438-V497 HydrophobicContact CD2-CB 4.18Å; F438-V497 HydrophobicContact CD2-CG1 4.21Å; F438-V497 HydrophobicContact CD2-CG2 3.88Å; F438-V497 HydrophobicContact CE1-CG2 4.14Å; F438-V497 HydrophobicContact CE2-CB 4.45Å; F438-V497 HydrophobicContact CE2-CG1 3.97Å; F438-V497 HydrophobicContact CE2-CG2 4.33Å; F438-V497 HydrophobicContact CG-CB 4.32Å; F438-V497 HydrophobicContact CG-CG2 3.52Å; F438-V497 HydrophobicContact CZ-CG1 4.15Å; F438-V497 HydrophobicContact CZ-CG2 4.43Å; T492-V497 HydrophobicContact CG2-CG2 3.71Å; S493-V497 PolarHBondContact O-N 3.26Å; T494-V497 PolarHBondContact O-N 3Å; V497-H499 VanDerWaalsContact C-N 3.31Å; V497-F500 PolarHBondContact O-N 2.81Å
498A72.1Confident66.2Low3 Ų336.6 Ų36.63%0.02520%0.202CC..Hα-helixtrans-59.4-44.5171.900000111F424 N428 L431 T494 M495 N496 F500 G501 Q502F424-A498 WeakPolarHBondContact CE2-O 3.47Å; F424-A498 HydrophobicContact CZ-CB 4.2Å; F424-A498 WeakPolarHBondContact CZ-O 3.31Å; N428-A498 WeakPolarHBondContact OD1-CB 3.08Å; L431-A498 HydrophobicContact CD1-CB 4.22Å; T494-A498 WeakPolarHBondContact O-CB 3.3Å; T494-A498 PolarHBondContact O-N 3.26Å; M495-A498 WeakPolarHBondContact O-CB 3.34Å; M495-A498 PolarHBondContact O-N 3.41Å; N496-A498 VanDerWaalsContact C-N 3.33Å; N496-A498 PolarHBondContact O-N 3.23Å; A498-F500 VanDerWaalsContact C-N 3.28Å; A498-F500 PolarHBondContact O-N 3.15Å; A498-G501 PolarHBondContact O-N 2.93Å; A498-Q502 PolarHBondContact O-N 3.31Å
499H75.4Confident65.2Low2 Ų235.8 Ų35.81%0.00920%0.196CC..Hα-helixtrans-55.7-43.1179.4-160.4172.1000112.4T346 F347 D348 M495 N496 V497 G501 Q502 V510 I512T346-H499 WeakPolarHBondContact CB-ND1 2.94Å; T346-H499 HydrophobicContact CG2-CB 4.03Å; T346-H499 PolarHBondContact OG1-ND1 3.23Å; F347-H499 HydrophobicContact CD1-CB 4.5Å; F347-H499 AromaticContact CD1-CE1 3.87Å; F347-H499 AromaticContact CD1-CG 3.98Å; F347-H499 AromaticContact CD1-ND1 3.44Å; F347-H499 WeakPolarHBondContact CD1-ND1 2.88Å; F347-H499 HydrophobicContact CE1-CB 4.43Å; F347-H499 AromaticContact CE1-CD2 3.83Å; F347-H499 AromaticContact CE1-CE1 3.11Å; F347-H499 WeakPolarHBondContact CE1-CE1 3.28Å; F347-H499 AromaticContact CE1-CG 3.55Å; F347-H499 AromaticContact CE1-ND1 3.1Å; F347-H499 WeakPolarHBondContact CE1-ND1 3.15Å; F347-H499 AromaticContact CE1-NE2 3.58Å; F347-H499 AromaticContact CZ-CE1 3.35Å; F347-H499 WeakPolarHBondContact CZ-CE1 3.43Å; F347-H499 AromaticContact CZ-ND1 3.81Å; F347-H499 AromaticContact CZ-NE2 3.83Å; D348-H499 IonicContact OD1-CE1 3.32Å; D348-H499 PolarHBondContact OD1-CE1 3.16Å; D348-H499 VanDerWaalsContact OD1-CE1 3.32Å; D348-H499 IonicContact OD1-ND1 3.95Å; D348-H499 IonicContact OD2-CE1 3.16Å; D348-H499 PolarHBondContact OD2-CE1 3.28Å; D348-H499 IonicContact OD2-ND1 3.57Å; M495-H499 PolarHBondContact O-N 2.66Å; N496-H499 WeakPolarHBondContact O-CB 3.44Å; N496-H499 PolarHBondContact O-N 2.88Å; N496-H499 VanDerWaalsContact O-N 3.1Å; V497-H499 VanDerWaalsContact C-N 3.31Å; H499-G501 PolarHBondContact O-N 3.14Å; H499-Q502 PolarHBondContact O-N 3.38Å; H499-Q502 VanDerWaalsContact O-N 3.07Å; H499-V510 PolarHBondContact CE1-O 2.74Å; H499-V510 PolarHBondContact NE2-O 3.25Å; H499-I512 HydrophobicContact CB-CD1 3.85Å; H499-I512 VanDerWaalsContact CG-CD1 3.49Å
500F72.5Confident64.2Low34 Ų3435.2 Ų35.215%0.14919%0.192CC..Hα-helixtrans-58.1-30.5175-87.9-93.1000114.3L291 Q378 L381 L410 N496 V497 A498L291-F500 HydrophobicContact CD1-CD2 4.41Å; L291-F500 HydrophobicContact CD1-CE2 4.09Å; L291-F500 HydrophobicContact CD2-CD1 4.47Å; L291-F500 HydrophobicContact CD2-CD2 4.27Å; L291-F500 HydrophobicContact CD2-CE1 4.45Å; L291-F500 HydrophobicContact CD2-CE2 4.27Å; L291-F500 HydrophobicContact CD2-CG 4.39Å; L291-F500 HydrophobicContact CD2-CZ 4.35Å; Q378-F500 HydrophobicContact CB-CZ 3.94Å; Q378-F500 HydrophobicContact CG-CE2 4.12Å; Q378-F500 HydrophobicContact CG-CZ 3.78Å; L381-F500 HydrophobicContact CD2-CE1 4.38Å; L381-F500 HydrophobicContact CD2-CE2 4.44Å; L381-F500 HydrophobicContact CD2-CZ 3.92Å; L410-F500 HydrophobicContact CD1-CD1 3.52Å; L410-F500 HydrophobicContact CD1-CE1 4.06Å; L410-F500 HydrophobicContact CD1-CG 4.35Å; L410-F500 HydrophobicContact CD2-CD1 4.49Å; N496-F500 WeakPolarHBondContact O-CD2 3.24Å; N496-F500 PolarHBondContact O-N 3.42Å; V497-F500 PolarHBondContact O-N 2.81Å; A498-F500 VanDerWaalsContact C-N 3.28Å; A498-F500 PolarHBondContact O-N 3.15Å
501G62.4Low62.7Low24 Ų2435.4 Ų35.425%0.24719%0.193CC..Hα-helixtrans-92.8-9.2177.600000114.7F424 A498 H499 V503F424-G501 WeakPolarHBondContact CD1-O 3.49Å; F424-G501 VanDerWaalsContact CE2-C 3.49Å; F424-G501 WeakPolarHBondContact CG-O 3.26Å; F424-G501 VanDerWaalsContact CZ-C 3.41Å; A498-G501 PolarHBondContact O-N 2.93Å; H499-G501 PolarHBondContact O-N 3.14Å; G501-V503 VanDerWaalsContact C-N 3.27Å; G501-V503 PolarHBondContact O-N 3.35Å
502Q60.8Low60.9Low47 Ų4737.5 Ų37.522%0.2220%0.203CC..  trans-73.4-13.2174.9-80.2-174.34.500113.4F424 A498 H499 P504F424-Q502 HydrophobicContact CE1-CB 4.26Å; F424-Q502 HydrophobicContact CE1-CG 3.53Å; F424-Q502 HydrophobicContact CZ-CG 3.81Å; A498-Q502 PolarHBondContact O-N 3.31Å; H499-Q502 PolarHBondContact O-N 3.38Å; H499-Q502 VanDerWaalsContact O-N 3.07Å; Q502-P504 WeakPolarHBondContact O-CD 3.17Å; Q502-P504 WeakPolarHBondContact O-CG 3.09Å
503V55.4Low58.6Low20 Ų2044.1 Ų44.112%0.12124%0.238CC..  trans-70.693178.5-173.70000109.2L410 G501L410-V503 HydrophobicContact CB-CB 4.31Å; L410-V503 HydrophobicContact CB-CG1 4.22Å; L410-V503 HydrophobicContact CB-CG2 4.44Å; L410-V503 HydrophobicContact CD1-CG2 4.02Å; G501-V503 VanDerWaalsContact C-N 3.27Å; G501-V503 PolarHBondContact O-N 3.35Å
504P49.5Very low56.2Low105 Ų10550.9 Ų50.968%0.68227%0.269SS*.  trans-96.9-10.9-168.218.33.7000111.7Q502Q502-P504 WeakPolarHBondContact O-CD 3.17Å; Q502-P504 WeakPolarHBondContact O-CG 3.09Å
505N41.1Very low54.5Low114 Ų11455.8 Ų55.861%0.6131%0.311SS*.SBendtrans-128.6136.2-169.1-79.9-29.5000108.9H507N505-H507 PolarHBondContact O-N 3.19Å
506K45.5Very low53.2Low130 Ų13061.5 Ų61.557%0.56534%0.337SS*.THydrogen-bonded Turntrans-552.7179.6-64.4178.2176-1760115R547K506-R547 PolarHBondContact O-NH1 2.68Å; K506-R547 VanDerWaalsContact O-NH1 3.12Å
507H43.2Very low52Low131 Ų13163.6 Ų63.661%0.60635%0.351SS*.THydrogen-bonded Turntrans-130.31.2-156.9-61.6-43.2000117.4N505 R547N505-H507 PolarHBondContact O-N 3.19Å; H507-R547 VanDerWaalsContact C-NH1 3.29Å; H507-R547 PolarHBondContact O-NH1 2.76Å; H507-R547 PolarHBondContact O-NH2 3.23Å
508A43.9Very low51.6Low20 Ų2066.1 Ų66.117%0.16537%0.367CS..  trans-154.2152.8178.700000116.8V510 L519A508-V510 HydrophobicContact CB-CG2 4.46Å; A508-L519 HydrophobicContact CB-CD1 3.66Å; A508-L519 HydrophobicContact CB-CD2 3.29Å; A508-L519 HydrophobicContact CB-CG 3.99Å
509L44.2Very low51.7Low5 Ų570 Ų703%0.02639%0.388CS..EExtended strand (participates in β ladder)trans-96.9119172.6-153.5155.2000106.2F347 L381 A408 F409 L519 Y520 P522F347-L509 HydrophobicContact CE2-CD2 4.36Å; F347-L509 HydrophobicContact CZ-CD2 4.42Å; L381-L509 HydrophobicContact CD1-CD1 3.87Å; L381-L509 HydrophobicContact CD1-CD2 3.58Å; L381-L509 HydrophobicContact CD1-CG 3.76Å; A408-L509 HydrophobicContact CB-CD1 3.78Å; A408-L509 WeakPolarHBondContact O-CD1 3.42Å; A408-L509 VanDerWaalsContact O-CG 3.26Å; A408-L509 WeakPolarHBondContact O-CG 3.47Å; F409-L509 HydrophobicContact CE1-CB 4.35Å; L509-L519 CarbonylContact O-C 3.51Å; L509-L519 WeakPolarHBondContact O-CA 3.46Å; L509-Y520 HydrophobicContact CB-CD2 4.5Å; L509-Y520 HydrophobicContact CD2-CD2 3.13Å; L509-Y520 HydrophobicContact CD2-CE2 3.87Å; L509-Y520 HydrophobicContact CD2-CG 3.58Å; L509-Y520 HydrophobicContact CG-CD2 4.34Å; L509-Y520 PolarHBondContact O-N 2.97Å; L509-P522 HydrophobicContact CD1-CG 4.23Å
510V45.2Very low52Low14 Ų1471.1 Ų71.19%0.08539%0.392CS..EExtended strand (participates in β ladder)trans-112.4143-159.9179.30000110.1F347 H499 A508 P517 P518 L519F347-V510 WeakPolarHBondContact CZ-O 3.4Å; H499-V510 PolarHBondContact CE1-O 2.74Å; H499-V510 PolarHBondContact NE2-O 3.25Å; A508-V510 HydrophobicContact CB-CG2 4.46Å; V510-P517 HydrophobicContact CG1-CB 3.26Å; V510-P517 HydrophobicContact CG1-CG 3.12Å; V510-P518 CarbonylContact C-O 3.57Å; V510-L519 HydrophobicContact CG2-CD2 4Å
511G37.5Very low52.6Low4 Ų472.1 Ų72.14%0.04140%0.397CS..  trans-121.7141.5174.600000113.1P517 P518G511-P517 CarbonylContact O-C 3.56Å; G511-P517 VanDerWaalsContact O-CA 3.27Å; G511-P517 WeakPolarHBondContact O-CA 3.39Å; G511-P517 WeakPolarHBondContact O-CB 3.39Å; G511-P518 PolarHBondContact N-O 2.9Å; G511-P518 WeakPolarHBondContact O-CD 3.44Å
512I37.2Very low53.6Low48 Ų4871 Ų7125%0.24639%0.385CS..SBendtrans-95.7128.1-169.2-63.1177.8000113.5T346 D348 H499T346-I512 HydrophobicContact CG2-CD1 4.13Å; D348-I512 PolarHBondContact OD2-N 2.82Å; H499-I512 HydrophobicContact CB-CD1 3.85Å; H499-I512 VanDerWaalsContact CG-CD1 3.49Å
513L37.3Very low54.9Low145 Ų14571.7 Ų71.776%0.75939%0.388SS*.SBendtrans171.622.7131.1-91.2171.6000112.8
514Q34.9Very low56.7Low141 Ų14177 Ų7766%0.65941%0.406SS*.SBendtrans-130.3160.9179.6-68.7-177.9-19.500111.2E516Q514-E516 WeakPolarHBondContact CB-O 3.43Å; Q514-E516 PolarHBondContact O-N 2.99Å
515A43Very low58.8Low114 Ų11472 Ų7294%0.94237%0.374SS*.SBendtrans-57.9-33.6179.500000112.4
516E54.1Low61.4Low170 Ų17068.2 Ų68.279%0.79436%0.356SS*.SBendtrans-113.2106.8160-71.6-176.9174.900107.7Q514Q514-E516 WeakPolarHBondContact CB-O 3.43Å; Q514-E516 PolarHBondContact O-N 2.99Å
517P59.9Low63.9Low45 Ų4562 Ų6229%0.29233%0.329SS..PPolyproline II helixtrans-64131.8-179.923.7-33.4000111.1V510 G511V510-P517 HydrophobicContact CG1-CB 3.26Å; V510-P517 HydrophobicContact CG1-CG 3.12Å; G511-P517 CarbonylContact O-C 3.56Å; G511-P517 VanDerWaalsContact O-CA 3.27Å; G511-P517 WeakPolarHBondContact O-CA 3.39Å; G511-P517 WeakPolarHBondContact O-CB 3.39Å
518P67.6Low66.4Low72 Ų7257.8 Ų57.847%0.46831%0.313SS..PPolyproline II helixtrans-57.3146.4-179.522.4-35.6000111.8V510 G511V510-P518 CarbonylContact C-O 3.57Å; G511-P518 PolarHBondContact N-O 2.9Å; G511-P518 WeakPolarHBondContact O-CD 3.44Å
519L75.8Confident69Low86 Ų8656.8 Ų56.845%0.4531%0.305SS..EExtended strand (participates in β ladder)trans-90.1137.1176.9-56.2-176.6000110A508 L509 V510 H521A508-L519 HydrophobicContact CB-CD1 3.66Å; A508-L519 HydrophobicContact CB-CD2 3.29Å; A508-L519 HydrophobicContact CB-CG 3.99Å; L509-L519 CarbonylContact O-C 3.51Å; L509-L519 WeakPolarHBondContact O-CA 3.46Å; V510-L519 HydrophobicContact CG2-CD2 4Å; L519-H521 PolarHBondContact O-CD2 3.2Å; L519-H521 VanDerWaalsContact O-CD2 3.29Å; L519-H521 PolarHBondContact O-NE2 3.49Å
520Y81.2Confident71.5Confident24 Ų2456.6 Ų56.69%0.09430%0.303CS..EExtended strand (participates in β ladder)trans-76.9151.9164.9-65.8-85.3000110F347 D348 A385 E389 L509 P522F347-Y520 AromaticContact CE2-CE2 3.74Å; F347-Y520 HydrophobicContact CE2-CE2 3.74Å; F347-Y520 HydrophobicContact CZ-CE2 4.12Å; D348-Y520 PolarHBondContact OD1-OH 3.06Å; A385-Y520 HydrophobicContact CB-CD1 3.68Å; A385-Y520 HydrophobicContact CB-CE1 3.35Å; A385-Y520 HydrophobicContact CB-CE2 4.24Å; A385-Y520 HydrophobicContact CB-CG 4.25Å; E389-Y520 HydrophobicContact CG-CD1 3.62Å; E389-Y520 HydrophobicContact CG-CE1 3.73Å; L509-Y520 HydrophobicContact CB-CD2 4.5Å; L509-Y520 HydrophobicContact CD2-CD2 3.13Å; L509-Y520 HydrophobicContact CD2-CE2 3.87Å; L509-Y520 HydrophobicContact CD2-CG 3.58Å; L509-Y520 HydrophobicContact CG-CD2 4.34Å; L509-Y520 PolarHBondContact O-N 2.97Å; Y520-P522 VanDerWaalsContact O-CD 3.28Å; Y520-P522 WeakPolarHBondContact O-CD 3.28Å
521H85.5Confident74Confident55 Ų5555.9 Ų55.926%0.25530%0.299SS..  trans-119.377.9-173.7-69.4-76.4000111.1S388 L519 E523 R524S388-H521 WeakPolarHBondContact CB-O 3.46Å; S388-H521 PolarHBondContact OG-O 3.41Å; S388-H521 VanDerWaalsContact OG-O 3.12Å; L519-H521 PolarHBondContact O-CD2 3.2Å; L519-H521 VanDerWaalsContact O-CD2 3.29Å; L519-H521 PolarHBondContact O-NE2 3.49Å; H521-E523 VanDerWaalsContact CA-OE2 3.31Å; H521-E523 WeakPolarHBondContact CA-OE2 3.41Å; H521-E523 HydrophobicContact CB-CG 4.48Å; H521-E523 VanDerWaalsContact CB-OE1 3.3Å; H521-E523 WeakPolarHBondContact CB-OE1 3.25Å; H521-E523 IonicContact CE1-OE1 3.97Å; H521-E523 IonicContact CG-OE1 3.42Å; H521-E523 IonicContact ND1-OE1 2.8Å; H521-E523 PolarHBondContact ND1-OE1 2.89Å; H521-E523 PolarHBondContact O-N 2.86Å; H521-R524 HydrophobicContact CB-CB 4.46Å; H521-R524 HydrophobicContact CB-CG 3.84Å; H521-R524 WeakPolarHBondContact O-CB 3.19Å; H521-R524 PolarHBondContact O-N 3.41Å
522P83.7Confident76.8Confident2 Ų255.7 Ų55.71%0.01330%0.297CS..G310 helixtrans-49.4-28179.9-27.735.1000114.4F384 S388 F409 L509 Y520 R524 N525 L548F384-P522 HydrophobicContact CD1-CB 4.28Å; S388-P522 WeakPolarHBondContact OG-CA 3.2Å; F409-P522 HydrophobicContact CZ-CG 4.23Å; L509-P522 HydrophobicContact CD1-CG 4.23Å; Y520-P522 VanDerWaalsContact O-CD 3.28Å; Y520-P522 WeakPolarHBondContact O-CD 3.28Å; P522-R524 PolarHBondContact O-N 3.37Å; P522-N525 VanDerWaalsContact O-CB 3.24Å; P522-N525 WeakPolarHBondContact O-CB 3.31Å; P522-N525 PolarHBondContact O-N 3.36Å; P522-N525 VanDerWaalsContact O-N 3.11Å; P522-L548 HydrophobicContact CB-CD1 4.14Å; P522-L548 HydrophobicContact CG-CD1 4.49Å
523E87.5Confident79.6Confident60 Ų6053.7 Ų53.728%0.2829%0.288SS..G310 helixtrans-61.9-18174.668.3-83.9-167.500114.9H521 Q551 Q553H521-E523 VanDerWaalsContact CA-OE2 3.31Å; H521-E523 WeakPolarHBondContact CA-OE2 3.41Å; H521-E523 HydrophobicContact CB-CG 4.48Å; H521-E523 VanDerWaalsContact CB-OE1 3.3Å; H521-E523 WeakPolarHBondContact CB-OE1 3.25Å; H521-E523 IonicContact CE1-OE1 3.97Å; H521-E523 IonicContact CG-OE1 3.42Å; H521-E523 IonicContact ND1-OE1 2.8Å; H521-E523 PolarHBondContact ND1-OE1 2.89Å; H521-E523 PolarHBondContact O-N 2.86Å; E523-Q551 WeakPolarHBondContact CA-O 3.11Å; E523-Q553 WeakPolarHBondContact O-CG 3.44Å; E523-Q553 PolarHBondContact O-NE2 3.02Å
524R92.1Very high82.2Confident131 Ų13147.1 Ų47.149%0.49426%0.255SS..G310 helixtrans-85.3-7.1175.7-63.7-177.8-173.9165.94113.3H521 P522 P526H521-R524 HydrophobicContact CB-CB 4.46Å; H521-R524 HydrophobicContact CB-CG 3.84Å; H521-R524 WeakPolarHBondContact O-CB 3.19Å; H521-R524 PolarHBondContact O-N 3.41Å; P522-R524 PolarHBondContact O-N 3.37Å; R524-P526 WeakPolarHBondContact O-CD 3.16Å
525N94Very high84.8Confident1 Ų143.6 Ų43.61%0.00525%0.246CC..  trans-66.9113.3180175.917.7000111.4F387 P522 V527 T529 N554F387-N525 HydrophobicContact CB-CB 4.42Å; F387-N525 WeakPolarHBondContact CB-OD1 3.45Å; P522-N525 VanDerWaalsContact O-CB 3.24Å; P522-N525 WeakPolarHBondContact O-CB 3.31Å; P522-N525 PolarHBondContact O-N 3.36Å; P522-N525 VanDerWaalsContact O-N 3.11Å; N525-V527 VanDerWaalsContact C-N 3.3Å; N525-V527 PolarHBondContact O-N 2.84Å; N525-V527 VanDerWaalsContact OD1-CB 3.25Å; N525-V527 WeakPolarHBondContact OD1-CB 3.34Å; N525-V527 WeakPolarHBondContact OD1-CG2 3.37Å; N525-V527 PolarHBondContact OD1-N 3.09Å; N525-T529 PolarHBondContact ND2-OG1 2.99Å; N525-T529 VanDerWaalsContact ND2-OG1 3.16Å; N525-N554 PolarHBondContact O-ND2 3.09Å
526P95.9Very high87Confident35 Ų3541.4 Ų41.423%0.22722%0.218CC..  trans-84.1-4.1-178.633.5-30.8000113.4P391 A394 K395 R524 N554P391-P526 HydrophobicContact CB-CG 3.98Å; P391-P526 WeakPolarHBondContact O-CG 3.39Å; A394-P526 HydrophobicContact CB-CG 4.31Å; K395-P526 HydrophobicContact CB-CB 4.21Å; K395-P526 HydrophobicContact CB-CG 3.88Å; R524-P526 WeakPolarHBondContact O-CD 3.16Å; P526-N554 VanDerWaalsContact C-ND2 3.3Å; P526-N554 VanDerWaalsContact CA-ND2 3.35Å; P526-N554 WeakPolarHBondContact CA-ND2 3.47Å; P526-N554 PolarHBondContact O-ND2 3.45Å
527V97.1Very high88.6Confident0 Ų033.7 Ų33.70%018%0.183CC..SBendtrans-83.5133.7-170.1-178.60000111.3F387 A394 I398 F401 N525 T529F387-V527 HydrophobicContact CB-CG2 4.46Å; F387-V527 HydrophobicContact CD2-CG2 4.36Å; F387-V527 HydrophobicContact CG-CG2 4.35Å; A394-V527 HydrophobicContact CB-CG2 3.87Å; I398-V527 HydrophobicContact CB-CG1 4.12Å; I398-V527 HydrophobicContact CB-CG2 3.83Å; I398-V527 HydrophobicContact CG2-CB 4.5Å; I398-V527 HydrophobicContact CG2-CG1 3.59Å; I398-V527 HydrophobicContact CG2-CG2 4.1Å; F401-V527 HydrophobicContact CB-CG1 3.83Å; N525-V527 VanDerWaalsContact C-N 3.3Å; N525-V527 PolarHBondContact O-N 2.84Å; N525-V527 VanDerWaalsContact OD1-CB 3.25Å; N525-V527 WeakPolarHBondContact OD1-CB 3.34Å; N525-V527 WeakPolarHBondContact OD1-CG2 3.37Å; N525-V527 PolarHBondContact OD1-N 3.09Å; V527-T529 PolarHBondContact O-N 3.16Å; V527-T529 VanDerWaalsContact O-N 3.09Å; V527-T529 PolarHBondContact O-OG1 3.45Å
528P97.4Very high89.7Confident41 Ų4134.8 Ų34.827%0.26619%0.186SC..  trans-53.4114.6168.4-25.534.8000111.4S400 F401 N554 I556S400-P528 CarbonylContact C-O 3.56Å; S400-P528 VanDerWaalsContact CA-O 3.31Å; S400-P528 WeakPolarHBondContact CA-O 3.27Å; F401-P528 PolarHBondContact N-O 2.76Å; P528-N554 CarbonylContact C-O 2.82Å; P528-N554 WeakPolarHBondContact CA-O 3.25Å; P528-I556 HydrophobicContact CB-CG2 3.68Å
529T97.4Very high90.2Very high0 Ų032.5 Ų32.50%017%0.169CC..EExtended strand (participates in β ladder)trans-121.6126.1-167.2-60.90000111.9F384 F401 N525 V527 L531 T552 N554 L555 I556F384-T529 HydrophobicContact CE1-CG2 4.41Å; F384-T529 HydrophobicContact CZ-CG2 4.1Å; F401-T529 HydrophobicContact CB-CG2 4.32Å; F401-T529 HydrophobicContact CD1-CG2 3.77Å; F401-T529 HydrophobicContact CE1-CG2 4.4Å; F401-T529 HydrophobicContact CG-CG2 4.18Å; F401-T529 CarbonylContact O-C 3.52Å; F401-T529 VanDerWaalsContact O-CA 3.26Å; F401-T529 WeakPolarHBondContact O-CA 3.38Å; N525-T529 PolarHBondContact ND2-OG1 2.99Å; N525-T529 VanDerWaalsContact ND2-OG1 3.16Å; V527-T529 PolarHBondContact O-N 3.16Å; V527-T529 VanDerWaalsContact O-N 3.09Å; V527-T529 PolarHBondContact O-OG1 3.45Å; T529-L531 HydrophobicContact CG2-CD2 3.86Å; T529-T552 HydrophobicContact CG2-CG2 4.1Å; T529-N554 PolarHBondContact N-O 3.31Å; T529-L555 CarbonylContact O-C 3.59Å; T529-L555 WeakPolarHBondContact O-CA 3.16Å; T529-I556 WeakPolarHBondContact O-CG1 3.49Å; T529-I556 PolarHBondContact O-N 2.86Å
530A97.7Very high90.6Very high0 Ų028.5 Ų28.50%015%0.148CC..EExtended strand (participates in β ladder)trans-109.3132.5171.700000110.7F401 A403 Y532 I556 G557 Y559 V586F401-A530 PolarHBondContact O-N 3.35Å; A403-A530 PolarHBondContact N-O 3.05Å; A530-Y532 HydrophobicContact CB-CE2 3.68Å; A530-I556 HydrophobicContact CB-CD1 3.9Å; A530-I556 HydrophobicContact CB-CG1 3.68Å; A530-G557 WeakPolarHBondContact CA-O 3.49Å; A530-Y559 HydrophobicContact CB-CE2 4.29Å; A530-V586 HydrophobicContact CB-CG1 4.3Å
531L97.2Very high90.7Very high0 Ų027.7 Ų27.70%015%0.146CC..EExtended strand (participates in β ladder)trans-107.2131.9179.6-55.2-178000110.1F384 A403 P406 T529 V545 L548 L555 G557 L558 Y559F384-L531 HydrophobicContact CZ-CD2 4.07Å; A403-L531 HydrophobicContact CB-CD2 3.82Å; P406-L531 HydrophobicContact CB-CD2 4.22Å; P406-L531 HydrophobicContact CG-CB 4.46Å; T529-L531 HydrophobicContact CG2-CD2 3.86Å; L531-V545 HydrophobicContact CD1-CG1 4.42Å; L531-L548 HydrophobicContact CD1-CD2 4.33Å; L531-L548 HydrophobicContact CD1-CG 4.31Å; L531-L548 HydrophobicContact CD2-CD2 4.24Å; L531-L555 HydrophobicContact CD1-CD1 3.82Å; L531-L555 HydrophobicContact CG-CD1 3.77Å; L531-G557 PolarHBondContact N-O 3.3Å; L531-L558 HydrophobicContact CB-CD1 3.77Å; L531-L558 HydrophobicContact CD1-CD1 4.37Å; L531-Y559 PolarHBondContact O-N 3.13Å
532Y97.1Very high90.6Very high0 Ų030.8 Ų30.80%016%0.16CC..EExtended strand (participates in β ladder)trans-124.9111.3177.2-50.4-101.6000109.1H402 A403 F404 A405 P406 A530 Y559 Y561 F569 V579 Q582 F583H402-Y532 HydrophobicContact CB-CE2 3.87Å; H402-Y532 AromaticContact ND1-CE2 3.92Å; H402-Y532 PolarHBondContact ND1-OH 3.39Å; A403-Y532 PolarHBondContact O-N 2.9Å; F404-Y532 AromaticContact CD1-CD2 3.5Å; F404-Y532 HydrophobicContact CD1-CD2 3.5Å; F404-Y532 VanDerWaalsContact CD1-CD2 3.5Å; F404-Y532 HydrophobicContact CD1-CE2 4.24Å; F404-Y532 AromaticContact CD1-CG 3.68Å; F404-Y532 HydrophobicContact CD1-CG 3.68Å; F404-Y532 HydrophobicContact CE1-CD1 4.2Å; F404-Y532 AromaticContact CE1-CD2 3.57Å; F404-Y532 HydrophobicContact CE1-CD2 3.57Å; F404-Y532 AromaticContact CE1-CE2 3.89Å; F404-Y532 HydrophobicContact CE1-CE2 3.89Å; F404-Y532 AromaticContact CE1-CG 3.75Å; F404-Y532 HydrophobicContact CE1-CG 3.75Å; A405-Y532 PolarHBondContact N-O 2.95Å; P406-Y532 VanDerWaalsContact CD-O 3.31Å; P406-Y532 WeakPolarHBondContact CD-O 3.05Å; A530-Y532 HydrophobicContact CB-CE2 3.68Å; Y532-Y559 WeakPolarHBondContact CA-O 3.48Å; Y532-Y559 AromaticContact CD1-CD2 3.99Å; Y532-Y559 HydrophobicContact CD1-CD2 3.99Å; Y532-Y559 HydrophobicContact CD1-CG 4.26Å; Y532-Y559 AromaticContact CE1-CD2 3.74Å; Y532-Y559 HydrophobicContact CE1-CD2 3.74Å; Y532-Y559 HydrophobicContact CE1-CE2 4.3Å; Y532-Y559 HydrophobicContact CE1-CG 4.24Å; Y532-Y561 AromaticContact CD1-CE2 3.99Å; Y532-Y561 HydrophobicContact CD1-CE2 3.99Å; Y532-F569 WeakPolarHBondContact O-CE1 3.29Å; Y532-F569 WeakPolarHBondContact O-CZ 3.2Å; Y532-V579 HydrophobicContact CD1-CG1 4.27Å; Y532-V579 HydrophobicContact CG-CG1 4.49Å; Y532-Q582 HydrophobicContact CE1-CG 4.42Å; Y532-F583 HydrophobicContact CE1-CB 3.92Å; Y532-F583 HydrophobicContact CE2-CD2 4.34Å; Y532-F583 WeakPolarHBondContact OH-CA 3.34Å
533C94.6Very high90.6Very high6 Ų635.7 Ų35.74%0.04119%0.186CC..EExtended strand (participates in β ladder)trans-122.1148.8-176.453.40000111.6V545 Y559 E560 Y561C533-V545 HydrophobicContact CB-CG1 4.11Å; C533-V545 HydrophobicContact CB-CG2 4.13Å; C533-Y559 PolarHBondContact N-O 3.34Å; C533-E560 WeakPolarHBondContact O-CA 3.06Å; C533-Y561 WeakPolarHBondContact O-CD2 3.34Å; C533-Y561 PolarHBondContact O-N 3.28Å
534G92.2Very high90.5Very high7 Ų733.1 Ų33.17%0.07217%0.174CC..EExtended strand (participates in β ladder)trans-100.8136.9174.400000109.9D536 D537 Y561 I564G534-D536 PolarHBondContact O-N 2.93Å; G534-D537 WeakPolarHBondContact O-CB 3.22Å; G534-D537 PolarHBondContact O-N 3.13Å; G534-Y561 WeakPolarHBondContact CA-O 2.89Å; G534-I564 CarbonylContact C-O 3.47Å; G534-I564 VanDerWaalsContact CA-O 3.24Å; G534-I564 WeakPolarHBondContact CA-O 3.44Å
535S89.4Confident90.4Very high67 Ų6726.9 Ų26.947%0.46915%0.15SC..THydrogen-bonded Turntrans-60.3-27179570000113.2Y561 E562 G563S535-Y561 PolarHBondContact N-O 3.35Å; S535-Y561 PolarHBondContact OG-O 3.4Å; S535-E562 VanDerWaalsContact OG-CA 3.28Å; S535-E562 WeakPolarHBondContact OG-CA 3.4Å; S535-G563 PolarHBondContact OG-N 3.12Å; S535-G563 VanDerWaalsContact OG-N 3.16Å
536D89Confident90.2Very high68 Ų6832.3 Ų32.336%0.36417%0.174SC..THydrogen-bonded Turntrans-105.210.7-176-61.6-81.3000112.6G534 L538 G563 I564 H565G534-D536 PolarHBondContact O-N 2.93Å; D536-L538 PolarHBondContact O-N 3.36Å; D536-G563 WeakPolarHBondContact OD2-CA 3.35Å; D536-G563 PolarHBondContact OD2-N 2.85Å; D536-I564 PolarHBondContact N-O 2.86Å; D536-H565 PolarHBondContact O-ND1 3.07Å
537D88.7Confident89.7Confident8 Ų833.2 Ų33.24%0.04317%0.173CC..  trans-72.3109.6176.6-170-32.8000111.1A405 D470 G534 M539 S540 H566A405-D537 WeakPolarHBondContact CB-OD2 3.27Å; D470-D537 WeakPolarHBondContact OD2-CA 3.18Å; G534-D537 WeakPolarHBondContact O-CB 3.22Å; G534-D537 PolarHBondContact O-N 3.13Å; D537-M539 VanDerWaalsContact C-N 3.27Å; D537-M539 PolarHBondContact O-N 2.9Å; D537-M539 WeakPolarHBondContact OD1-CA 3.49Å; D537-M539 PolarHBondContact OD1-N 2.59Å; D537-S540 PolarHBondContact OD1-N 3.15Å; D537-S540 WeakPolarHBondContact OD2-CB 3.43Å; D537-H566 VanDerWaalsContact CG-ND1 3.31Å; D537-H566 WeakPolarHBondContact OD1-CB 3.32Å; D537-H566 IonicContact OD1-CG 3.67Å; D537-H566 IonicContact OD1-ND1 3.37Å; D537-H566 PolarHBondContact OD1-ND1 2.87Å; D537-H566 WeakPolarHBondContact OD2-CA 3.36Å; D537-H566 IonicContact OD2-CE1 3.12Å; D537-H566 IonicContact OD2-CG 2.76Å; D537-H566 IonicContact OD2-ND1 2.68Å; D537-H566 PolarHBondContact OD2-ND1 3.46Å
538L81.9Confident89.3Confident68 Ų6833.2 Ų33.236%0.35617%0.173SC..SBendtrans-78.4-7.9-178.1-61.1179.3000113.9K414 S415 D470 D536K414-L538 HydrophobicContact CB-CD2 4.32Å; K414-L538 PolarHBondContact N-O 3.13Å; S415-L538 PolarHBondContact N-O 3.43Å; S415-L538 VanDerWaalsContact N-O 3.17Å; D470-L538 HydrophobicContact CB-CB 4.26Å; D470-L538 HydrophobicContact CB-CD1 4.42Å; D470-L538 HydrophobicContact CB-CG 4.49Å; D470-L538 PolarHBondContact OD2-N 3.14Å; D536-L538 PolarHBondContact O-N 3.36Å
539M79.8Confident89.1Confident23 Ų2332.2 Ų32.211%0.11317%0.167CC..SBendtrans-107-34.6179.6-56.1-162.9-163.200113I407 F417 I468 D537 H566I407-M539 HydrophobicContact CD1-CB 4.16Å; F417-M539 HydrophobicContact CE2-CE 4.43Å; I468-M539 WeakPolarHBondContact O-CE 3.46Å; D537-M539 VanDerWaalsContact C-N 3.27Å; D537-M539 PolarHBondContact O-N 2.9Å; D537-M539 WeakPolarHBondContact OD1-CA 3.49Å; D537-M539 PolarHBondContact OD1-N 2.59Å; M539-H566 HydrophobicContact CG-CB 4.36Å; M539-H566 PolarHBondContact SD-CD2 2.79Å
540S82.7Confident88.8Confident3 Ų339 Ų392%0.02120%0.198CC..SBendtrans-104.870.2176.8-176.60000109.8P406 D537 V545P406-S540 WeakPolarHBondContact CD-OG 3.47Å; P406-S540 PolarHBondContact O-OG 2.9Å; D537-S540 PolarHBondContact OD1-N 3.15Å; D537-S540 WeakPolarHBondContact OD2-CB 3.43Å; S540-V545 VanDerWaalsContact OG-CG2 3.31Å; S540-V545 WeakPolarHBondContact OG-CG2 3.46Å
541D82.8Confident88.4Confident7 Ų741.6 Ų41.64%0.03721%0.21CC..  trans-61.6138.9-174.1-174.9-94.6000112.6N412 K414 L543 D544 V545N412-D541 HydrophobicContact CB-CB 4.04Å; N412-D541 WeakPolarHBondContact CB-OD1 3.45Å; K414-D541 WeakPolarHBondContact CE-OD2 3.45Å; K414-D541 IonicContact NZ-OD2 2.79Å; K414-D541 PolarHBondContact NZ-OD2 3.34Å; D541-L543 PolarHBondContact O-N 3.13Å; D541-L543 VanDerWaalsContact O-N 3.15Å; D541-L543 WeakPolarHBondContact OD1-CB 3.25Å; D541-L543 PolarHBondContact OD1-N 2.97Å; D541-D544 WeakPolarHBondContact O-CA 3.43Å; D541-D544 WeakPolarHBondContact O-CB 3.14Å; D541-D544 PolarHBondContact O-N 2.69Å; D541-V545 WeakPolarHBondContact O-CG2 3.5Å; D541-V545 PolarHBondContact O-N 3.35Å
542E84.5Confident88.1Confident120 Ų12041.9 Ų41.956%0.56121%0.212SC*.Hα-helixtrans-51.6-38.6-177.4-168.4-169.3153.900113.3V545 K546E542-V545 PolarHBondContact O-N 3.14Å; E542-K546 VanDerWaalsContact O-CB 3.3Å; E542-K546 WeakPolarHBondContact O-CB 3.43Å; E542-K546 PolarHBondContact O-N 3.41Å
543L84.2Confident87.6Confident105 Ų10548.8 Ų48.855%0.5525%0.245SC..Hα-helixtrans-68-37.8178.6-65175.2000112.1D541 R547D541-L543 PolarHBondContact O-N 3.13Å; D541-L543 VanDerWaalsContact O-N 3.15Å; D541-L543 WeakPolarHBondContact OD1-CB 3.25Å; D541-L543 PolarHBondContact OD1-N 2.97Å; L543-R547 WeakPolarHBondContact O-CB 3.4Å; L543-R547 PolarHBondContact O-N 2.99Å; L543-R547 VanDerWaalsContact O-N 3.08Å
544D85.6Confident87.5Confident5 Ų551.8 Ų51.83%0.02726%0.26CS..Hα-helixtrans-70.3-37.9177.5-76-18.7000110.4F409 G411 N412 D541 L548F409-D544 HydrophobicContact CB-CB 3.91Å; G411-D544 PolarHBondContact N-OD2 3Å; G411-D544 VanDerWaalsContact N-OD2 3.14Å; N412-D544 PolarHBondContact N-OD2 2.87Å; N412-D544 PolarHBondContact ND2-OD1 3.18Å; D541-D544 WeakPolarHBondContact O-CA 3.43Å; D541-D544 WeakPolarHBondContact O-CB 3.14Å; D541-D544 PolarHBondContact O-N 2.69Å; D544-L548 WeakPolarHBondContact O-CB 3.38Å; D544-L548 PolarHBondContact O-N 2.79Å
545V88.9Confident87.7Confident1 Ų154.4 Ų54.41%0.00627%0.272CS..Hα-helixtrans-68.2-45.3174.5-178.30000111.8P406 L531 C533 S540 D541 E542 R547 L548 S549 L558P406-V545 HydrophobicContact CG-CB 4.45Å; P406-V545 HydrophobicContact CG-CG1 3.89Å; P406-V545 HydrophobicContact CG-CG2 3.79Å; L531-V545 HydrophobicContact CD1-CG1 4.42Å; C533-V545 HydrophobicContact CB-CG1 4.11Å; C533-V545 HydrophobicContact CB-CG2 4.13Å; S540-V545 VanDerWaalsContact OG-CG2 3.31Å; S540-V545 WeakPolarHBondContact OG-CG2 3.46Å; D541-V545 WeakPolarHBondContact O-CG2 3.5Å; D541-V545 PolarHBondContact O-N 3.35Å; E542-V545 PolarHBondContact O-N 3.14Å; V545-R547 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 2.83Å; V545-L548 WeakPolarHBondContact O-CB 3.46Å; V545-L548 PolarHBondContact O-N 3.34Å; V545-L548 VanDerWaalsContact O-N 3.15Å; V545-S549 PolarHBondContact O-N 3.09Å; V545-L558 HydrophobicContact CG1-CD1 3.73Å
546K89.1Confident88Confident114 Ų11454 Ų5450%0.49626%0.264SS..Hα-helixtrans-57.6-47.4177.1-178.4176.4179.8177.20110.8E542 L548 S549 E550E542-K546 VanDerWaalsContact O-CB 3.3Å; E542-K546 WeakPolarHBondContact O-CB 3.43Å; E542-K546 PolarHBondContact O-N 3.41Å; K546-L548 VanDerWaalsContact C-N 3.33Å; K546-L548 PolarHBondContact O-N 2.65Å; K546-S549 WeakPolarHBondContact O-CB 3.39Å; K546-S549 PolarHBondContact O-N 3.03Å; K546-S549 VanDerWaalsContact O-N 3.12Å; K546-S549 PolarHBondContact O-OG 3.17Å; K546-E550 WeakPolarHBondContact CE-OE1 3.11Å; K546-E550 WeakPolarHBondContact O-CG 3.35Å; K546-E550 PolarHBondContact O-N 3.47Å
547R86.9Confident88.3Confident54 Ų5451.4 Ų51.420%0.20425%0.254CS..Hα-helixtrans-59.5-43.5175.7-177.5177.7-179.1-138.8-7.7112.7F409 K506 H507 L543 V545 S549 E550 Q551F409-R547 HydrophobicContact CD2-CG 4.43Å; F409-R547 HydrophobicContact CE2-CG 4.26Å; K506-R547 PolarHBondContact O-NH1 2.68Å; K506-R547 VanDerWaalsContact O-NH1 3.12Å; H507-R547 VanDerWaalsContact C-NH1 3.29Å; H507-R547 PolarHBondContact O-NH1 2.76Å; H507-R547 PolarHBondContact O-NH2 3.23Å; L543-R547 WeakPolarHBondContact O-CB 3.4Å; L543-R547 PolarHBondContact O-N 2.99Å; L543-R547 VanDerWaalsContact O-N 3.08Å; V545-R547 VanDerWaalsContact C-N 3.31Å; V545-R547 PolarHBondContact O-N 2.83Å; R547-S549 VanDerWaalsContact C-N 3.29Å; R547-S549 PolarHBondContact O-N 3.33Å; R547-E550 PolarHBondContact O-N 3.43Å; R547-Q551 WeakPolarHBondContact O-CG 3.26Å; R547-Q551 PolarHBondContact O-N 3.14Å; R547-Q551 VanDerWaalsContact O-N 3.14Å
548L88.8Confident88.7Confident1 Ų153.8 Ų53.81%0.00527%0.266CS..Hα-helixtrans-61.3-40175.6179.463.5000111.6F384 P406 A408 F409 P522 L531 D544 V545 K546 E550 Q551 T552F384-L548 HydrophobicContact CD1-CD1 4.25Å; F384-L548 HydrophobicContact CD2-CD1 4.46Å; F384-L548 HydrophobicContact CD2-CD2 4.45Å; F384-L548 HydrophobicContact CE1-CD1 3.86Å; F384-L548 HydrophobicContact CE1-CG 4.48Å; F384-L548 HydrophobicContact CE2-CD1 4.12Å; F384-L548 HydrophobicContact CE2-CD2 3.64Å; F384-L548 HydrophobicContact CE2-CG 4.32Å; F384-L548 HydrophobicContact CZ-CD1 3.81Å; F384-L548 HydrophobicContact CZ-CD2 3.74Å; F384-L548 HydrophobicContact CZ-CG 4Å; P406-L548 HydrophobicContact CB-CD2 3.84Å; A408-L548 HydrophobicContact CB-CD1 3.59Å; A408-L548 HydrophobicContact CB-CD2 3.68Å; A408-L548 HydrophobicContact CB-CG 4.15Å; F409-L548 HydrophobicContact CD2-CB 4.26Å; F409-L548 HydrophobicContact CE2-CB 4.07Å; F409-L548 HydrophobicContact CE2-CD1 4.14Å; P522-L548 HydrophobicContact CB-CD1 4.14Å; P522-L548 HydrophobicContact CG-CD1 4.49Å; L531-L548 HydrophobicContact CD1-CD2 4.33Å; L531-L548 HydrophobicContact CD1-CG 4.31Å; L531-L548 HydrophobicContact CD2-CD2 4.24Å; D544-L548 WeakPolarHBondContact O-CB 3.38Å; D544-L548 PolarHBondContact O-N 2.79Å; V545-L548 WeakPolarHBondContact O-CB 3.46Å; V545-L548 PolarHBondContact O-N 3.34Å; V545-L548 VanDerWaalsContact O-N 3.15Å; K546-L548 VanDerWaalsContact C-N 3.33Å; K546-L548 PolarHBondContact O-N 2.65Å; L548-E550 VanDerWaalsContact C-N 3.34Å; L548-E550 PolarHBondContact O-N 3.26Å; L548-Q551 PolarHBondContact O-N 3.49Å; L548-T552 WeakPolarHBondContact O-CB 3.1Å; L548-T552 PolarHBondContact O-N 3.03Å; L548-T552 PolarHBondContact O-OG1 3.12Å
549S92Very high89.4Confident20 Ų2053.2 Ų53.214%0.1426%0.26CS..Hα-helixtrans-62.9-40.4177.280.60000112V545 K546 R547 Q551 T552V545-S549 PolarHBondContact O-N 3.09Å; K546-S549 WeakPolarHBondContact O-CB 3.39Å; K546-S549 PolarHBondContact O-N 3.03Å; K546-S549 VanDerWaalsContact O-N 3.12Å; K546-S549 PolarHBondContact O-OG 3.17Å; R547-S549 VanDerWaalsContact C-N 3.29Å; R547-S549 PolarHBondContact O-N 3.33Å; S549-Q551 VanDerWaalsContact C-N 3.31Å; S549-Q551 PolarHBondContact O-N 3.32Å; S549-T552 PolarHBondContact O-N 3.46Å
550E91.9Very high90.1Very high141 Ų14157.6 Ų57.666%0.65928%0.28SS*.Hα-helixtrans-67.3-30.4177.1-69.6169.8-178.600112.6K546 R547 L548K546-E550 WeakPolarHBondContact CE-OE1 3.11Å; K546-E550 WeakPolarHBondContact O-CG 3.35Å; K546-E550 PolarHBondContact O-N 3.47Å; R547-E550 PolarHBondContact O-N 3.43Å; L548-E550 VanDerWaalsContact C-N 3.34Å; L548-E550 PolarHBondContact O-N 3.26Å
551Q88.6Confident90.6Very high55 Ų5558.8 Ų58.826%0.25728%0.284SS..Hα-helixtrans-87.7-17.8178-68.7-173.5-34.900113.5E523 R547 L548 S549 Q553E523-Q551 WeakPolarHBondContact CA-O 3.11Å; R547-Q551 WeakPolarHBondContact O-CG 3.26Å; R547-Q551 PolarHBondContact O-N 3.14Å; R547-Q551 VanDerWaalsContact O-N 3.14Å; L548-Q551 PolarHBondContact O-N 3.49Å; S549-Q551 VanDerWaalsContact C-N 3.31Å; S549-Q551 PolarHBondContact O-N 3.32Å; Q551-Q553 PolarHBondContact O-N 3.41Å
552T90.6Very high91Very high7 Ų767.2 Ų67.24%0.04332%0.323CS..  trans-80.9101.4-179-58.70000109.9T529 L548 S549 N554 L555T529-T552 HydrophobicContact CG2-CG2 4.1Å; L548-T552 WeakPolarHBondContact O-CB 3.1Å; L548-T552 PolarHBondContact O-N 3.03Å; L548-T552 PolarHBondContact O-OG1 3.12Å; S549-T552 PolarHBondContact O-N 3.46Å; T552-N554 VanDerWaalsContact C-N 3.32Å; T552-N554 PolarHBondContact O-N 3.04Å; T552-L555 HydrophobicContact CG2-CB 4.2Å; T552-L555 HydrophobicContact CG2-CD1 4.28Å; T552-L555 PolarHBondContact O-N 3.18Å
553Q88.4Confident91.3Very high145 Ų14563 Ų6368%0.67831%0.312SS*.THydrogen-bonded Turntrans-61.7-36.5-176.4-66.5-172.1-7.100113.7E523 Q551E523-Q553 WeakPolarHBondContact O-CG 3.44Å; E523-Q553 PolarHBondContact O-NE2 3.02Å; Q551-Q553 PolarHBondContact O-N 3.41Å
554N92.3Very high91.7Very high68 Ų6858.4 Ų58.436%0.36429%0.288SS..THydrogen-bonded Turntrans-103.345.1-177.6-62.6-61.5000112.1N525 P526 P528 T529 T552 I556N525-N554 PolarHBondContact O-ND2 3.09Å; P526-N554 VanDerWaalsContact C-ND2 3.3Å; P526-N554 VanDerWaalsContact CA-ND2 3.35Å; P526-N554 WeakPolarHBondContact CA-ND2 3.47Å; P526-N554 PolarHBondContact O-ND2 3.45Å; P528-N554 CarbonylContact C-O 2.82Å; P528-N554 WeakPolarHBondContact CA-O 3.25Å; T529-N554 PolarHBondContact N-O 3.31Å; T552-N554 VanDerWaalsContact C-N 3.32Å; T552-N554 PolarHBondContact O-N 3.04Å; N554-I556 PolarHBondContact O-N 3.11Å
555L95.9Very high91.9Very high62 Ų6259.5 Ų59.533%0.32529%0.293SS..EExtended strand (participates in β ladder)trans-71.6116.9178.9-171.974.3000110.6T529 L531 T552T529-L555 CarbonylContact O-C 3.59Å; T529-L555 WeakPolarHBondContact O-CA 3.16Å; L531-L555 HydrophobicContact CD1-CD1 3.82Å; L531-L555 HydrophobicContact CG-CD1 3.77Å; T552-L555 HydrophobicContact CG2-CB 4.2Å; T552-L555 HydrophobicContact CG2-CD1 4.28Å; T552-L555 PolarHBondContact O-N 3.18Å
556I95.5Very high91.9Very high58 Ų5859.7 Ų59.730%0.29729%0.293SS..EExtended strand (participates in β ladder)trans-91.2-14.7175.369.3-174.9000112.8P528 T529 A530 N554 V586 Q590P528-I556 HydrophobicContact CB-CG2 3.68Å; T529-I556 WeakPolarHBondContact O-CG1 3.49Å; T529-I556 PolarHBondContact O-N 2.86Å; A530-I556 HydrophobicContact CB-CD1 3.9Å; A530-I556 HydrophobicContact CB-CG1 3.68Å; N554-I556 PolarHBondContact O-N 3.11Å; I556-V586 HydrophobicContact CD1-CG1 3.76Å; I556-V586 HydrophobicContact CG1-CG1 4.31Å; I556-Q590 HydrophobicContact CD1-CG 4.29Å
557G95.5Very high91.9Very high14 Ų1454.5 Ų54.514%0.14427%0.271CS..EExtended strand (participates in β ladder)trans172.3148.2173.800000113.5A530 L531A530-G557 WeakPolarHBondContact CA-O 3.49Å; L531-G557 PolarHBondContact N-O 3.3Å
558L96.3Very high92.2Very high58 Ų5852 Ų5230%0.30426%0.262SS..EExtended strand (participates in β ladder)trans-114.2120168.2173.261.5000107.6L531 V545 E560L531-L558 HydrophobicContact CB-CD1 3.77Å; L531-L558 HydrophobicContact CD1-CD1 4.37Å; V545-L558 HydrophobicContact CG1-CD1 3.73Å; L558-E560 HydrophobicContact CG-CG 4.36Å
559Y96.2Very high92.4Very high57 Ų5752 Ų5222%0.22426%0.262CS..EExtended strand (participates in β ladder)trans-120.4115.1-176-56.5-84.4000109.9A530 L531 Y532 C533 Y561 Q582 V586A530-Y559 HydrophobicContact CB-CE2 4.29Å; L531-Y559 PolarHBondContact O-N 3.13Å; Y532-Y559 WeakPolarHBondContact CA-O 3.48Å; Y532-Y559 AromaticContact CD1-CD2 3.99Å; Y532-Y559 HydrophobicContact CD1-CD2 3.99Å; Y532-Y559 HydrophobicContact CD1-CG 4.26Å; Y532-Y559 AromaticContact CE1-CD2 3.74Å; Y532-Y559 HydrophobicContact CE1-CD2 3.74Å; Y532-Y559 HydrophobicContact CE1-CE2 4.3Å; Y532-Y559 HydrophobicContact CE1-CG 4.24Å; C533-Y559 PolarHBondContact N-O 3.34Å; Y559-Y561 WeakPolarHBondContact CB-OH 3.33Å; Y559-Y561 WeakPolarHBondContact O-CE2 3.22Å; Y559-Q582 HydrophobicContact CD1-CG 3.59Å; Y559-Q582 HydrophobicContact CE1-CG 3.74Å; Y559-Q582 VanDerWaalsContact CE1-NE2 3.33Å; Y559-Q582 HydrophobicContact CG-CG 4.07Å; Y559-V586 HydrophobicContact CE1-CG2 4.43Å; Y559-V586 HydrophobicContact CE2-CG2 3.94Å; Y559-V586 VanDerWaalsContact OH-CG2 3.25Å; Y559-V586 WeakPolarHBondContact OH-CG2 2.77Å
560E95Very high92.4Very high114 Ų11451 Ų5153%0.53326%0.255SS..EExtended strand (participates in β ladder)trans-105.4135.7-178.6-44.1-166.1155.100110.1C533 L558C533-E560 WeakPolarHBondContact O-CA 3.06Å; L558-E560 HydrophobicContact CG-CG 4.36Å
561Y94.2Very high92.3Very high29 Ų2944.4 Ų44.411%0.11422%0.224CC..EExtended strand (participates in β ladder)trans-125.1120.5-175.9-58.2-89.6000111.3Y532 C533 G534 S535 Y559 I564 V579 Q582Y532-Y561 AromaticContact CD1-CE2 3.99Å; Y532-Y561 HydrophobicContact CD1-CE2 3.99Å; C533-Y561 WeakPolarHBondContact O-CD2 3.34Å; C533-Y561 PolarHBondContact O-N 3.28Å; G534-Y561 WeakPolarHBondContact CA-O 2.89Å; S535-Y561 PolarHBondContact N-O 3.35Å; S535-Y561 PolarHBondContact OG-O 3.4Å; Y559-Y561 WeakPolarHBondContact CB-OH 3.33Å; Y559-Y561 WeakPolarHBondContact O-CE2 3.22Å; Y561-I564 HydrophobicContact CG-CG1 4.46Å; Y561-V579 HydrophobicContact CD1-CG2 3.98Å; Y561-V579 HydrophobicContact CD2-CG2 3.79Å; Y561-V579 HydrophobicContact CE1-CG2 4.14Å; Y561-V579 HydrophobicContact CE2-CB 4.42Å; Y561-V579 HydrophobicContact CE2-CG1 4.29Å; Y561-V579 HydrophobicContact CE2-CG2 3.99Å; Y561-V579 HydrophobicContact CG-CG2 3.79Å; Y561-Q582 WeakPolarHBondContact OH-CB 3.16Å; Y561-Q582 VanDerWaalsContact OH-CG 3.3Å; Y561-Q582 WeakPolarHBondContact OH-CG 3.19Å
562E91.8Very high92.3Very high184 Ų18441.9 Ų41.986%0.8621%0.213SC*.THydrogen-bonded Turntrans-67.4136.2177-165.1-177.6172.100111.6S535 I564S535-E562 VanDerWaalsContact OG-CA 3.28Å; S535-E562 WeakPolarHBondContact OG-CA 3.4Å; E562-I564 PolarHBondContact O-N 3.18Å
563G89.4Confident92.2Very high32 Ų3243.6 Ų43.633%0.3322%0.221SC..THydrogen-bonded Turntrans75.46.717500000114.9S535 D536S535-G563 PolarHBondContact OG-N 3.12Å; S535-G563 VanDerWaalsContact OG-N 3.16Å; D536-G563 WeakPolarHBondContact OD2-CA 3.35Å; D536-G563 PolarHBondContact OD2-N 2.85Å
564I92.1Very high92.2Very high7 Ų741 Ų414%0.03621%0.212CC..  trans-91.9122.5175.9-62.3-56.1000109.4G534 D536 Y561 E562 D568 F569 V575 V579G534-I564 CarbonylContact C-O 3.47Å; G534-I564 VanDerWaalsContact CA-O 3.24Å; G534-I564 WeakPolarHBondContact CA-O 3.44Å; D536-I564 PolarHBondContact N-O 2.86Å; Y561-I564 HydrophobicContact CG-CG1 4.46Å; E562-I564 PolarHBondContact O-N 3.18Å; I564-D568 HydrophobicContact CG2-CB 4.13Å; I564-F569 HydrophobicContact CG2-CD2 3.97Å; I564-F569 HydrophobicContact CG2-CE1 4.34Å; I564-F569 HydrophobicContact CG2-CE2 3.56Å; I564-F569 HydrophobicContact CG2-CZ 3.76Å; I564-V575 HydrophobicContact CD1-CG1 3.9Å; I564-V579 HydrophobicContact CG1-CG2 4.37Å
565H90.5Very high92.2Very high28 Ų2837.7 Ų37.713%0.1320%0.195CC..  trans-98169.7175.1-69.5-99.5000112D470 D536 L567 D568D470-H565 IonicContact OD1-CE1 3.93Å; D470-H565 IonicContact OD1-CG 2.68Å; D470-H565 IonicContact OD1-ND1 2.82Å; D470-H565 PolarHBondContact OD1-ND1 3.45Å; D470-H565 IonicContact OD2-ND1 3.57Å; D536-H565 PolarHBondContact O-ND1 3.07Å; H565-L567 PolarHBondContact O-N 3.35Å; H565-D568 IonicContact CD2-OD2 3.2Å; H565-D568 PolarHBondContact N-OD2 3.3Å; H565-D568 WeakPolarHBondContact O-CB 3.5Å; H565-D568 PolarHBondContact O-N 2.72Å
566H90Very high92.1Very high5 Ų536 Ų362%0.02319%0.187CC..THydrogen-bonded Turntrans-52.9-45.5-175.2-162.964.5000114.6Y376 S377 A405 D470 D537 M539 D568Y376-H566 VanDerWaalsContact CE2-O 3.25Å; Y376-H566 WeakPolarHBondContact CE2-O 3.2Å; Y376-H566 AromaticContact CZ-NE2 3.96Å; Y376-H566 PolarHBondContact OH-CD2 2.56Å; Y376-H566 VanDerWaalsContact OH-CD2 3.29Å; Y376-H566 PolarHBondContact OH-O 3.4Å; S377-H566 VanDerWaalsContact CB-NE2 3.33Å; S377-H566 WeakPolarHBondContact CB-NE2 3.44Å; S377-H566 PolarHBondContact OG-CE1 2.91Å; S377-H566 PolarHBondContact OG-NE2 2.69Å; A405-H566 WeakPolarHBondContact CB-ND1 3.46Å; D470-H566 HydrophobicContact CB-CB 3.93Å; D470-H566 PolarHBondContact O-N 3.22Å; D470-H566 WeakPolarHBondContact OD2-CB 3.26Å; D470-H566 PolarHBondContact OD2-N 3.04Å; D537-H566 VanDerWaalsContact CG-ND1 3.31Å; D537-H566 WeakPolarHBondContact OD1-CB 3.32Å; D537-H566 IonicContact OD1-CG 3.67Å; D537-H566 IonicContact OD1-ND1 3.37Å; D537-H566 PolarHBondContact OD1-ND1 2.87Å; D537-H566 WeakPolarHBondContact OD2-CA 3.36Å; D537-H566 IonicContact OD2-CE1 3.12Å; D537-H566 IonicContact OD2-CG 2.76Å; D537-H566 IonicContact OD2-ND1 2.68Å; D537-H566 PolarHBondContact OD2-ND1 3.46Å; M539-H566 HydrophobicContact CG-CB 4.36Å; M539-H566 PolarHBondContact SD-CD2 2.79Å; H566-D568 VanDerWaalsContact C-N 3.35Å
567L88.9Confident92Very high6 Ų640 Ų403%0.03121%0.208CC..THydrogen-bonded Turntrans-80.1-16.1179.3-73.9173.8000114.1G469 D470 Y471 H565 F569 T570 W571G469-L567 VanDerWaalsContact CA-CD1 3.43Å; G469-L567 WeakPolarHBondContact O-CD1 3.4Å; G469-L567 WeakPolarHBondContact O-CG 3.49Å; D470-L567 WeakPolarHBondContact O-CB 3.28Å; D470-L567 PolarHBondContact O-N 2.81Å; Y471-L567 HydrophobicContact CD1-CD1 4.4Å; H565-L567 PolarHBondContact O-N 3.35Å; L567-F569 PolarHBondContact O-N 3.1Å; L567-T570 PolarHBondContact O-N 3.45Å; L567-T570 VanDerWaalsContact O-N 3.08Å; L567-T570 PolarHBondContact O-OG1 3.03Å; L567-W571 HydrophobicContact CB-CE3 4.42Å; L567-W571 HydrophobicContact CD1-CE3 3.96Å; L567-W571 HydrophobicContact CD1-CH2 4.43Å; L567-W571 HydrophobicContact CD1-CZ3 3.85Å; L567-W571 PolarHBondContact O-N 2.98Å
568D91.6Very high91.9Very high1 Ų142 Ų421%0.00522%0.218CC..Hα-helixtrans-64.2-29.4-176.8-71.5-13.6000110.6S475 I564 H565 H566 T570 G572 V575S475-D568 WeakPolarHBondContact CB-OD1 3.25Å; S475-D568 WeakPolarHBondContact CB-OD2 3.39Å; S475-D568 PolarHBondContact OG-OD2 3.4Å; I564-D568 HydrophobicContact CG2-CB 4.13Å; H565-D568 IonicContact CD2-OD2 3.2Å; H565-D568 PolarHBondContact N-OD2 3.3Å; H565-D568 WeakPolarHBondContact O-CB 3.5Å; H565-D568 PolarHBondContact O-N 2.72Å; H566-D568 VanDerWaalsContact C-N 3.35Å; D568-T570 PolarHBondContact O-N 3.36Å; D568-G572 WeakPolarHBondContact O-CA 3.5Å; D568-G572 PolarHBondContact O-N 3.12Å; D568-V575 HydrophobicContact CB-CG1 4.29Å; D568-V575 WeakPolarHBondContact O-CG1 3.46Å; D568-V575 WeakPolarHBondContact O-CG2 3.38Å
569F93.7Very high91.9Very high0 Ų039.3 Ų39.30%020%0.204CC..Hα-helixtrans-55-21173.3-72.9-82.5000115.4Y376 F404 A405 Y532 I564 L567 V579 Y580Y376-F569 HydrophobicContact CD2-CB 4.02Å; Y376-F569 HydrophobicContact CE2-CB 3.82Å; Y376-F569 HydrophobicContact CE2-CG 4.46Å; F404-F569 HydrophobicContact CB-CB 4.34Å; F404-F569 HydrophobicContact CB-CD1 3.65Å; F404-F569 HydrophobicContact CB-CE1 4.23Å; F404-F569 HydrophobicContact CB-CG 4.16Å; F404-F569 HydrophobicContact CD1-CD1 4.34Å; F404-F569 AromaticContact CG-CD1 3.98Å; F404-F569 HydrophobicContact CG-CD1 3.98Å; A405-F569 HydrophobicContact CB-CD2 3.79Å; A405-F569 HydrophobicContact CB-CE2 3.82Å; A405-F569 HydrophobicContact CB-CG 4.42Å; A405-F569 HydrophobicContact CB-CZ 4.47Å; Y532-F569 WeakPolarHBondContact O-CE1 3.29Å; Y532-F569 WeakPolarHBondContact O-CZ 3.2Å; I564-F569 HydrophobicContact CG2-CD2 3.97Å; I564-F569 HydrophobicContact CG2-CE1 4.34Å; I564-F569 HydrophobicContact CG2-CE2 3.56Å; I564-F569 HydrophobicContact CG2-CZ 3.76Å; L567-F569 PolarHBondContact O-N 3.1Å; F569-V579 HydrophobicContact CD1-CG1 3.95Å; F569-V579 HydrophobicContact CE1-CG1 3.87Å; F569-V579 HydrophobicContact CE1-CG2 4.19Å; F569-Y580 PolarHBondContact O-OH 2.85Å
570T91.7Very high92Very high1 Ų136.7 Ų36.71%0.00619%0.194CC..Hα-helixtrans-123.7-37.317856.70000112.9D297 W298 Y376 L567 D568D297-T570 HydrophobicContact CB-CG2 4.24Å; W298-T570 HydrophobicContact CZ3-CG2 4.37Å; Y376-T570 HydrophobicContact CD1-CG2 3.78Å; Y376-T570 HydrophobicContact CD2-CG2 4.36Å; Y376-T570 HydrophobicContact CE1-CG2 3.9Å; Y376-T570 HydrophobicContact CE2-CG2 4.47Å; Y376-T570 HydrophobicContact CG-CG2 4.02Å; L567-T570 PolarHBondContact O-N 3.45Å; L567-T570 VanDerWaalsContact O-N 3.08Å; L567-T570 PolarHBondContact O-OG1 3.03Å; D568-T570 PolarHBondContact O-N 3.36Å
571W89.2Confident92.1Very high2 Ų233.1 Ų33.11%0.00818%0.183CC..Hα-helixtrans-99.3-21.8-176.1-68.36.7000113.4R293 D297 N301 I476 Y484 L567R293-W571 VanDerWaalsContact NH1-CE2 3.26Å; D297-W571 PolarHBondContact OD1-NE1 3.48Å; N301-W571 PolarHBondContact ND2-O 3.46Å; I476-W571 HydrophobicContact CG2-CB 4Å; Y484-W571 HydrophobicContact CD1-CD2 4.02Å; Y484-W571 HydrophobicContact CD1-CG 4.09Å; Y484-W571 HydrophobicContact CD2-CD2 4.49Å; Y484-W571 HydrophobicContact CD2-CE3 4.25Å; Y484-W571 HydrophobicContact CE1-CB 4.45Å; Y484-W571 HydrophobicContact CE1-CG 4.3Å; Y484-W571 AromaticContact CG-CD2 3.98Å; Y484-W571 HydrophobicContact CG-CD2 3.98Å; Y484-W571 HydrophobicContact CG-CE3 4.05Å; Y484-W571 HydrophobicContact CG-CG 4.46Å; Y484-W571 HydrophobicContact CG-CH2 4.47Å; Y484-W571 HydrophobicContact CG-CZ2 4.35Å; Y484-W571 HydrophobicContact CG-CZ3 4.32Å; L567-W571 HydrophobicContact CB-CE3 4.42Å; L567-W571 HydrophobicContact CD1-CE3 3.96Å; L567-W571 HydrophobicContact CD1-CH2 4.43Å; L567-W571 HydrophobicContact CD1-CZ3 3.85Å; L567-W571 PolarHBondContact O-N 2.98Å
572G90.1Very high92.2Very high1 Ų134.5 Ų34.51%0.0119%0.191CC..  trans-62.4145.6-175.600000111.9S475 D568 V575S475-G572 CarbonylContact O-C 3.5Å; S475-G572 WeakPolarHBondContact O-CA 3.27Å; D568-G572 WeakPolarHBondContact O-CA 3.5Å; D568-G572 PolarHBondContact O-N 3.12Å; G572-V575 VanDerWaalsContact O-CG2 3.27Å; G572-V575 WeakPolarHBondContact O-CG2 3.35Å
573L88.5Confident92.5Very high43 Ų4325.8 Ų25.823%0.22515%0.15CC..SBendtrans-89-31.3173.4-55.5-177.9000110.9S475 N477 V575S475-L573 WeakPolarHBondContact O-CG 3.21Å; S475-L573 PolarHBondContact O-N 3.44Å; N477-L573 HydrophobicContact CB-CD1 4.11Å; N477-L573 HydrophobicContact CB-CD2 4.39Å; L573-V575 VanDerWaalsContact C-N 3.3Å; L573-V575 PolarHBondContact O-N 3.2Å
574N87.6Confident92.9Very high90 Ų9026.1 Ų26.148%0.48114%0.144SC..G310 helixtrans-75.2-19.2-177-64.2-6.6000113V576 N577 T578N574-V576 PolarHBondContact O-N 2.81Å; N574-N577 PolarHBondContact O-N 3.2Å; N574-T578 PolarHBondContact O-OG1 2.64Å
575V92.5Very high93.1Very high0 Ų031.5 Ų31.50%017%0.169CC..G310 helixtrans-65.7-21.4-179.6-66.10000113.2I564 D568 G572 L573 N577 T578 V579 Y580I564-V575 HydrophobicContact CD1-CG1 3.9Å; D568-V575 HydrophobicContact CB-CG1 4.29Å; D568-V575 WeakPolarHBondContact O-CG1 3.46Å; D568-V575 WeakPolarHBondContact O-CG2 3.38Å; G572-V575 VanDerWaalsContact O-CG2 3.27Å; G572-V575 WeakPolarHBondContact O-CG2 3.35Å; L573-V575 VanDerWaalsContact C-N 3.3Å; L573-V575 PolarHBondContact O-N 3.2Å; V575-N577 PolarHBondContact O-N 2.92Å; V575-T578 WeakPolarHBondContact CA-OG1 3.47Å; V575-T578 PolarHBondContact O-N 3.47Å; V575-V579 HydrophobicContact CB-CB 4.18Å; V575-V579 HydrophobicContact CB-CG2 4.24Å; V575-V579 HydrophobicContact CG1-CB 4.42Å; V575-V579 HydrophobicContact CG1-CG2 3.98Å; V575-V579 PolarHBondContact O-N 3.4Å; V575-V579 VanDerWaalsContact O-N 3.12Å; V575-Y580 HydrophobicContact CG2-CD2 4.27Å; V575-Y580 HydrophobicContact CG2-CE1 4.24Å; V575-Y580 HydrophobicContact CG2-CE2 3.84Å; V575-Y580 WeakPolarHBondContact O-CB 3.24Å; V575-Y580 PolarHBondContact O-N 3.26Å
576V93.2Very high93.4Very high26 Ų2630.7 Ų30.716%0.15817%0.166CC..G310 helixtrans-60.6-48.7179.7-178.30000111.6Q305 L310 N574 T578 Y580 A581Q305-V576 HydrophobicContact CB-CG2 4.24Å; Q305-V576 HydrophobicContact CG-CG2 4.39Å; L310-V576 HydrophobicContact CD1-CG1 4.23Å; N574-V576 PolarHBondContact O-N 2.81Å; V576-T578 VanDerWaalsContact C-N 3.34Å; V576-Y580 HydrophobicContact CG2-CD2 4.33Å; V576-A581 PolarHBondContact O-N 3.42Å
577N93.4Very high93.8Very high141 Ų14130.4 Ų30.475%0.75417%0.165SC*.G310 helixtrans-90.30.2-175.9-63.8-26.6000113.2N574 V575N574-N577 PolarHBondContact O-N 3.2Å; V575-N577 PolarHBondContact O-N 2.92Å
578T94.8Very high94Very high58 Ų5833 Ų3336%0.35618%0.183SC..THydrogen-bonded Turntrans-121.4-88.5-177.853.10000109.6N574 V575 V576 Y580 A581 Q582N574-T578 PolarHBondContact O-OG1 2.64Å; V575-T578 WeakPolarHBondContact CA-OG1 3.47Å; V575-T578 PolarHBondContact O-N 3.47Å; V576-T578 VanDerWaalsContact C-N 3.34Å; T578-Y580 PolarHBondContact O-N 3.24Å; T578-A581 PolarHBondContact O-N 2.94Å; T578-Q582 PolarHBondContact O-N 3.22Å; T578-Q582 VanDerWaalsContact O-N 3.07Å
579V96.6Very high94.1Very high0 Ų035.5 Ų35.50%020%0.204CC..Hα-helixtrans-58.7-51-176.5-174.50000112F404 Y532 Y561 I564 F569 V575 F583F404-V579 HydrophobicContact CD1-CG1 4.18Å; F404-V579 HydrophobicContact CE1-CG1 3.95Å; F404-V579 HydrophobicContact CZ-CG1 4.49Å; Y532-V579 HydrophobicContact CD1-CG1 4.27Å; Y532-V579 HydrophobicContact CG-CG1 4.49Å; Y561-V579 HydrophobicContact CD1-CG2 3.98Å; Y561-V579 HydrophobicContact CD2-CG2 3.79Å; Y561-V579 HydrophobicContact CE1-CG2 4.14Å; Y561-V579 HydrophobicContact CE2-CB 4.42Å; Y561-V579 HydrophobicContact CE2-CG1 4.29Å; Y561-V579 HydrophobicContact CE2-CG2 3.99Å; Y561-V579 HydrophobicContact CG-CG2 3.79Å; I564-V579 HydrophobicContact CG1-CG2 4.37Å; F569-V579 HydrophobicContact CD1-CG1 3.95Å; F569-V579 HydrophobicContact CE1-CG1 3.87Å; F569-V579 HydrophobicContact CE1-CG2 4.19Å; V575-V579 HydrophobicContact CB-CB 4.18Å; V575-V579 HydrophobicContact CB-CG2 4.24Å; V575-V579 HydrophobicContact CG1-CB 4.42Å; V575-V579 HydrophobicContact CG1-CG2 3.98Å; V575-V579 PolarHBondContact O-N 3.4Å; V575-V579 VanDerWaalsContact O-N 3.12Å; V579-F583 VanDerWaalsContact O-CB 3.22Å; V579-F583 WeakPolarHBondContact O-CB 3.17Å; V579-F583 PolarHBondContact O-N 3.11Å
580Y97.5Very high93.8Very high3 Ų337.7 Ų37.71%0.01221%0.214CC..Hα-helixtrans-69.6-36.5-177.7-64.6-11.2000111.8L307 L310 F404 F569 V575 V576 T578 F583 M584L307-Y580 HydrophobicContact CB-CD2 4.37Å; L307-Y580 HydrophobicContact CB-CE1 4.2Å; L307-Y580 HydrophobicContact CB-CE2 3.87Å; L307-Y580 HydrophobicContact CD1-CD1 4.06Å; L307-Y580 HydrophobicContact CD1-CD2 4.25Å; L307-Y580 HydrophobicContact CD1-CE1 4.39Å; L307-Y580 HydrophobicContact CD1-CG 4Å; L307-Y580 HydrophobicContact CD2-CD1 4.46Å; L307-Y580 HydrophobicContact CD2-CE1 4.15Å; L310-Y580 HydrophobicContact CD1-CD2 3.74Å; L310-Y580 HydrophobicContact CD1-CG 4.49Å; F404-Y580 HydrophobicContact CE2-CD1 4.36Å; F404-Y580 HydrophobicContact CE2-CE1 4Å; F404-Y580 HydrophobicContact CZ-CD1 4.26Å; F404-Y580 HydrophobicContact CZ-CE1 4.35Å; F569-Y580 PolarHBondContact O-OH 2.85Å; V575-Y580 HydrophobicContact CG2-CD2 4.27Å; V575-Y580 HydrophobicContact CG2-CE1 4.24Å; V575-Y580 HydrophobicContact CG2-CE2 3.84Å; V575-Y580 WeakPolarHBondContact O-CB 3.24Å; V575-Y580 PolarHBondContact O-N 3.26Å; V576-Y580 HydrophobicContact CG2-CD2 4.33Å; T578-Y580 PolarHBondContact O-N 3.24Å; Y580-F583 PolarHBondContact O-N 3.33Å; Y580-M584 WeakPolarHBondContact O-CB 3.31Å; Y580-M584 WeakPolarHBondContact O-CG 3.28Å; Y580-M584 PolarHBondContact O-N 2.83Å
581A96.6Very high92.8Very high38 Ų3840.3 Ų40.331%0.31423%0.232SC..Hα-helixtrans-60.9-49.5175.700000111.5V576 T578 M584 Q585V576-A581 PolarHBondContact O-N 3.42Å; T578-A581 PolarHBondContact O-N 2.94Å; A581-M584 PolarHBondContact O-N 3.42Å; A581-Q585 WeakPolarHBondContact O-CG 3.39Å; A581-Q585 PolarHBondContact O-N 3.38Å
582Q97.4Very high91.1Very high59 Ų5948.1 Ų48.128%0.27628%0.28SS..Hα-helixtrans-63.7-45.1175.5-175.363.548.500111.3Y532 Y559 Y561 T578 M584 Q585 V586Y532-Q582 HydrophobicContact CE1-CG 4.42Å; Y559-Q582 HydrophobicContact CD1-CG 3.59Å; Y559-Q582 HydrophobicContact CE1-CG 3.74Å; Y559-Q582 VanDerWaalsContact CE1-NE2 3.33Å; Y559-Q582 HydrophobicContact CG-CG 4.07Å; Y561-Q582 WeakPolarHBondContact OH-CB 3.16Å; Y561-Q582 VanDerWaalsContact OH-CG 3.3Å; Y561-Q582 WeakPolarHBondContact OH-CG 3.19Å; T578-Q582 PolarHBondContact O-N 3.22Å; T578-Q582 VanDerWaalsContact O-N 3.07Å; Q582-M584 VanDerWaalsContact C-N 3.33Å; Q582-M584 PolarHBondContact O-N 3.41Å; Q582-Q585 WeakPolarHBondContact O-CB 3.22Å; Q582-Q585 PolarHBondContact O-N 2.95Å; Q582-V586 HydrophobicContact CG-CG2 4.43Å; Q582-V586 WeakPolarHBondContact O-CG2 3.38Å; Q582-V586 PolarHBondContact O-N 2.65Å
583F97.8Very high91.2Very high0 Ų050.5 Ų50.50%029%0.293CS..Hα-helixtrans-56-46.3177.1159.5-99.2000112.4L307 L311 V374 H402 F404 Y532 V579 Y580 Q585 V586 L587L307-F583 HydrophobicContact CD1-CD1 3.88Å; L307-F583 HydrophobicContact CD1-CE1 3.72Å; L307-F583 HydrophobicContact CD2-CE1 4.27Å; L307-F583 HydrophobicContact CG-CE1 4.44Å; L311-F583 HydrophobicContact CD1-CE1 4.48Å; L311-F583 HydrophobicContact CD2-CE1 3.98Å; L311-F583 HydrophobicContact CD2-CZ 4.32Å; L311-F583 HydrophobicContact CG-CE1 4.43Å; V374-F583 HydrophobicContact CG1-CE2 4.44Å; V374-F583 HydrophobicContact CG2-CE2 3.79Å; V374-F583 HydrophobicContact CG2-CZ 3.74Å; H402-F583 HydrophobicContact CB-CD2 3.88Å; H402-F583 HydrophobicContact CB-CE2 3.66Å; H402-F583 AromaticContact CD2-CE2 3.73Å; H402-F583 AromaticContact CG-CD2 3.8Å; H402-F583 AromaticContact CG-CE2 3.51Å; H402-F583 AromaticContact ND1-CD2 3.91Å; H402-F583 AromaticContact ND1-CE2 4Å; F404-F583 HydrophobicContact CE1-CB 4.05Å; F404-F583 HydrophobicContact CE1-CD2 4.03Å; F404-F583 HydrophobicContact CE1-CG 4.1Å; F404-F583 HydrophobicContact CZ-CB 3.99Å; F404-F583 HydrophobicContact CZ-CD1 4.18Å; F404-F583 AromaticContact CZ-CD2 3.8Å; F404-F583 HydrophobicContact CZ-CD2 3.8Å; F404-F583 HydrophobicContact CZ-CE2 4.35Å; F404-F583 AromaticContact CZ-CG 3.7Å; F404-F583 HydrophobicContact CZ-CG 3.7Å; Y532-F583 HydrophobicContact CE1-CB 3.92Å; Y532-F583 HydrophobicContact CE2-CD2 4.34Å; Y532-F583 WeakPolarHBondContact OH-CA 3.34Å; V579-F583 VanDerWaalsContact O-CB 3.22Å; V579-F583 WeakPolarHBondContact O-CB 3.17Å; V579-F583 PolarHBondContact O-N 3.11Å; Y580-F583 PolarHBondContact O-N 3.33Å; F583-Q585 VanDerWaalsContact C-N 3.3Å; F583-Q585 PolarHBondContact O-N 3.12Å; F583-V586 PolarHBondContact O-N 3.11Å; F583-L587 HydrophobicContact CE1-CD2 4.04Å; F583-L587 HydrophobicContact CE2-CB 4.33Å; F583-L587 HydrophobicContact CE2-CD1 4.39Å; F583-L587 HydrophobicContact CE2-CD2 4.49Å; F583-L587 HydrophobicContact CZ-CB 4.34Å; F583-L587 HydrophobicContact CZ-CD1 4.32Å; F583-L587 HydrophobicContact CZ-CD2 3.76Å; F583-L587 HydrophobicContact CZ-CG 4.37Å; F583-L587 WeakPolarHBondContact O-CB 3.48Å; F583-L587 PolarHBondContact O-N 3.22Å
584M97.4Very high91.3Very high40 Ų4050.8 Ų50.820%0.19730%0.297CS..Hα-helixtrans-63.2-37.2179.8-71.2-63.7-67.200111.7L311 A314 Y316 Y580 A581 Q582 L587 S588L311-M584 HydrophobicContact CD2-CE 4.25Å; L311-M584 HydrophobicContact CD2-SD 3.64Å; L311-M584 HydrophobicContact CG-SD 4.22Å; A314-M584 HydrophobicContact CB-CE 3.47Å; A314-M584 VanDerWaalsContact CB-CE 3.47Å; Y316-M584 HydrophobicContact CE2-CE 4.1Å; Y580-M584 WeakPolarHBondContact O-CB 3.31Å; Y580-M584 WeakPolarHBondContact O-CG 3.28Å; Y580-M584 PolarHBondContact O-N 2.83Å; A581-M584 PolarHBondContact O-N 3.42Å; Q582-M584 VanDerWaalsContact C-N 3.33Å; Q582-M584 PolarHBondContact O-N 3.41Å; M584-L587 HydrophobicContact SD-CD2 4.46Å; M584-S588 WeakPolarHBondContact O-CB 3.3Å; M584-S588 PolarHBondContact O-N 2.86Å; M584-S588 PolarHBondContact O-OG 3.16Å
585Q96.6Very high91.5Very high119 Ų11948.7 Ų48.756%0.55629%0.287SS*.Hα-helixtrans-63.3-51.8174.2-69.4176.68.800111.1A581 Q582 F583 L587 S588 A589A581-Q585 WeakPolarHBondContact O-CG 3.39Å; A581-Q585 PolarHBondContact O-N 3.38Å; Q582-Q585 WeakPolarHBondContact O-CB 3.22Å; Q582-Q585 PolarHBondContact O-N 2.95Å; F583-Q585 VanDerWaalsContact C-N 3.3Å; F583-Q585 PolarHBondContact O-N 3.12Å; Q585-L587 PolarHBondContact O-N 3.24Å; Q585-S588 PolarHBondContact O-N 2.6Å; Q585-S588 PolarHBondContact O-OG 3.32Å; Q585-A589 PolarHBondContact O-N 2.72Å; Q585-A589 VanDerWaalsContact O-N 3.07Å
586V97.1Very high91.5Very high11 Ų1151.5 Ų51.57%0.06730%0.304CS..Hα-helixtrans-61.4-44.5-180-178.60000110.9A530 I556 Y559 Q582 F583 S588 A589 Q590A530-V586 HydrophobicContact CB-CG1 4.3Å; I556-V586 HydrophobicContact CD1-CG1 3.76Å; I556-V586 HydrophobicContact CG1-CG1 4.31Å; Y559-V586 HydrophobicContact CE1-CG2 4.43Å; Y559-V586 HydrophobicContact CE2-CG2 3.94Å; Y559-V586 VanDerWaalsContact OH-CG2 3.25Å; Y559-V586 WeakPolarHBondContact OH-CG2 2.77Å; Q582-V586 HydrophobicContact CG-CG2 4.43Å; Q582-V586 WeakPolarHBondContact O-CG2 3.38Å; Q582-V586 PolarHBondContact O-N 2.65Å; F583-V586 PolarHBondContact O-N 3.11Å; V586-S588 PolarHBondContact O-N 2.8Å; V586-A589 PolarHBondContact O-N 2.82Å; V586-Q590 WeakPolarHBondContact O-CG 3.2Å; V586-Q590 PolarHBondContact O-N 2.79Å
587L97Very high91.4Very high0 Ų053.1 Ų53.10%031%0.313CS..Hα-helixtrans-58.1-47.6177.3-177.473000111.4V285 L311 Y316 H372 H402 F583 M584 Q585 A589 Q590V285-L587 HydrophobicContact CG2-CD2 4.31Å; L311-L587 HydrophobicContact CD2-CD2 3.5Å; L311-L587 VanDerWaalsContact CD2-CD2 3.5Å; Y316-L587 HydrophobicContact CD2-CD2 4.37Å; Y316-L587 HydrophobicContact CE1-CD2 3.93Å; Y316-L587 HydrophobicContact CE1-CG 4.27Å; Y316-L587 HydrophobicContact CE2-CD2 3.79Å; H372-L587 HydrophobicContact CB-CD1 3.69Å; H372-L587 VanDerWaalsContact CG-CD1 3.44Å; H402-L587 WeakPolarHBondContact NE2-CD1 2.83Å; F583-L587 HydrophobicContact CE1-CD2 4.04Å; F583-L587 HydrophobicContact CE2-CB 4.33Å; F583-L587 HydrophobicContact CE2-CD1 4.39Å; F583-L587 HydrophobicContact CE2-CD2 4.49Å; F583-L587 HydrophobicContact CZ-CB 4.34Å; F583-L587 HydrophobicContact CZ-CD1 4.32Å; F583-L587 HydrophobicContact CZ-CD2 3.76Å; F583-L587 HydrophobicContact CZ-CG 4.37Å; F583-L587 WeakPolarHBondContact O-CB 3.48Å; F583-L587 PolarHBondContact O-N 3.22Å; M584-L587 HydrophobicContact SD-CD2 4.46Å; Q585-L587 PolarHBondContact O-N 3.24Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 3.36Å; L587-Q590 WeakPolarHBondContact O-CB 3.27Å; L587-Q590 PolarHBondContact O-N 3.39Å; L587-Q590 VanDerWaalsContact O-N 3.08Å
588S93.7Very high91.2Very high60 Ų6047.3 Ų47.342%0.4228%0.283SS..Hα-helixtrans-64.9-34.6-179.670.60000113M584 Q585 V586 Q590 C591M584-S588 WeakPolarHBondContact O-CB 3.3Å; M584-S588 PolarHBondContact O-N 2.86Å; M584-S588 PolarHBondContact O-OG 3.16Å; Q585-S588 PolarHBondContact O-N 2.6Å; Q585-S588 PolarHBondContact O-OG 3.32Å; V586-S588 PolarHBondContact O-N 2.8Å; S588-Q590 PolarHBondContact O-N 2.8Å; S588-C591 WeakPolarHBondContact O-CB 3.44Å; S588-C591 PolarHBondContact O-N 3.29Å
589A93Very high91Very high54 Ų5446.5 Ų46.545%0.44628%0.278SS..Hα-helixtrans-68.5-18.6174.900000113Q585 V586 L587 C591 T592Q585-A589 PolarHBondContact O-N 2.72Å; Q585-A589 VanDerWaalsContact O-N 3.07Å; V586-A589 PolarHBondContact O-N 2.82Å; L587-A589 VanDerWaalsContact C-N 3.32Å; L587-A589 PolarHBondContact O-N 3.36Å; A589-C591 VanDerWaalsContact C-N 3.35Å; A589-T592 PolarHBondContact O-OG1 3.29Å
590Q87.7Confident90.5Very high46 Ų4650.1 Ų50.122%0.21530%0.299CS..THydrogen-bonded Turntrans-84.4-8.1170.9-58.2-52-69.700112.5R399 I556 V586 L587 S588R399-Q590 PolarHBondContact NE-O 3.47Å; R399-Q590 PolarHBondContact NH2-O 2.88Å; I556-Q590 HydrophobicContact CD1-CG 4.29Å; V586-Q590 WeakPolarHBondContact O-CG 3.2Å; V586-Q590 PolarHBondContact O-N 2.79Å; L587-Q590 WeakPolarHBondContact O-CB 3.27Å; L587-Q590 PolarHBondContact O-N 3.39Å; L587-Q590 VanDerWaalsContact O-N 3.08Å; S588-Q590 PolarHBondContact O-N 2.8Å
591C71.6Confident90Very high56 Ų5654 Ų5438%0.37832%0.323SS..THydrogen-bonded Turntrans-87.7-23178.9-62.60000113.2S588 A589S588-C591 WeakPolarHBondContact O-CB 3.44Å; S588-C591 PolarHBondContact O-N 3.29Å; A589-C591 VanDerWaalsContact C-N 3.35Å
592T53.8Low89.4Confident165 Ų16555.5 Ų55.5100%1.01232%0.324SS*.  trans-760167.1530000110.4A589A589-T592 PolarHBondContact O-OG1 3.29Å

Retrieved 592 of 592 residues in 807.5 ms (Link to these results)

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