A0A077Z678_TRITR Loading...

Replication factor C subunit 5

AlphaFold DB , UniProt , Accession A0A077Z678, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 332 aa.

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Site Residue pLDDT pLDDT confidence pLDDT10 pLDDT10 confidence SASA SASA [Ų] SASA10 SASA10 [Ų] RSA RSA unformatted RSA10 RSA10 unformatted Surface Surface10 (not used) Disorder (not used) Disorder Sec. str. Secondary structure Isomer Phi (φ) Psi (ψ) Omega (ω) Chi 1 (χ1) Chi 2 (χ2) Chi 3 (χ3) Chi 4 (χ4) Chi 5 (χ5) Tau (τ) Contacts (colored by PAE) Contact details
1M33.1Very low66.9Low240 Ų24095 Ų95100%1.18255%0.547SS*.  0101.60-77.5167.772.400108K3M1-K3 PolarHBondContact O-N 2.88Å
2G43.4Very low69.2Low76 Ų7694 Ų9478%0.78453%0.533SS*.  trans-69.7120.7174.200000108.2T4G2-T4 PolarHBondContact O-N 3.11Å
3K40.8Very low71.2Confident161 Ų16192.5 Ų92.570%0.752%0.517SS*.  trans-55.4113.5164.6-71.5-178.6177.8-178.60106M1 L8M1-K3 PolarHBondContact O-N 2.88Å; K3-L8 HydrophobicContact CB-CD2 4.38Å; K3-L8 HydrophobicContact CD-CD2 3.98Å
4T47.7Very low72.9Confident94 Ų9487 Ų8758%0.57749%0.485SS*.  trans-56.3141.6169.544.30000107.1G2 E6 S7G2-T4 PolarHBondContact O-N 3.11Å; T4-E6 PolarHBondContact O-N 3.41Å; T4-S7 PolarHBondContact O-N 3.34Å; T4-S7 PolarHBondContact O-OG 2.78Å
5A56.7Low74.3Confident68 Ų6885.3 Ų85.356%0.56247%0.468SS*.G310 helixtrans-54.5-21.8-175.100000113.3S7A5-S7 VanDerWaalsContact C-N 3.29Å; A5-S7 PolarHBondContact O-N 3.09Å
6E60.2Low75.4Confident177 Ų17781.3 Ų81.383%0.82745%0.447SS*.G310 helixtrans-63.4-25.4173.3-72.1178.6163.100114.4T4T4-E6 PolarHBondContact O-N 3.41Å
7S79.6Confident76.3Confident69 Ų6980.3 Ų80.348%0.48344%0.444SS..G310 helixtrans-94.73.1-175.290.90000114.2T4 A5T4-S7 PolarHBondContact O-N 3.34Å; T4-S7 PolarHBondContact O-OG 2.78Å; A5-S7 VanDerWaalsContact C-N 3.29Å; A5-S7 PolarHBondContact O-N 3.09Å
8L87.9Confident77.1Confident55 Ų5582.7 Ų82.729%0.28845%0.449SS..SBendtrans-83.9138.5-178.4-69.4176.7000110.5K3 W10 K13K3-L8 HydrophobicContact CB-CD2 4.38Å; K3-L8 HydrophobicContact CD-CD2 3.98Å; L8-W10 PolarHBondContact O-N 2.9Å; L8-K13 HydrophobicContact CB-CB 4.28Å
9P94.4Very high77.6Confident63 Ų6379.1 Ų79.141%0.40943%0.429SS..  trans-51.4142.3165.6-24.834.3000110.5V11 E12 K13P9-V11 PolarHBondContact O-N 2.98Å; P9-V11 VanDerWaalsContact O-N 3.13Å; P9-E12 PolarHBondContact O-N 2.73Å; P9-K13 PolarHBondContact O-N 2.92Å
10W96.2Very high78Confident23 Ų2381.5 Ų81.59%0.08744%0.442CS..Hα-helixtrans-60.7-29.4-174.1-73.23.3000112.8L8 E12 K13 Y14 V177 E181 V183 L208 Q209 V212L8-W10 PolarHBondContact O-N 2.9Å; W10-E12 PolarHBondContact O-N 3.36Å; W10-K13 PolarHBondContact O-N 3.48Å; W10-Y14 HydrophobicContact CB-CD2 3.97Å; W10-Y14 HydrophobicContact CB-CE2 4.39Å; W10-Y14 HydrophobicContact CD2-CE2 4.43Å; W10-Y14 HydrophobicContact CG-CD2 4.2Å; W10-Y14 HydrophobicContact CG-CE2 4.12Å; W10-Y14 WeakPolarHBondContact O-CB 3.33Å; W10-Y14 WeakPolarHBondContact O-CD2 3.46Å; W10-Y14 PolarHBondContact O-N 2.77Å; W10-V177 HydrophobicContact CD2-CG1 4.13Å; W10-V177 HydrophobicContact CE3-CG1 3.53Å; W10-V177 HydrophobicContact CZ3-CG1 3.81Å; W10-E181 HydrophobicContact CD2-CG 4.42Å; W10-E181 HydrophobicContact CH2-CB 3.95Å; W10-E181 HydrophobicContact CH2-CG 3.75Å; W10-E181 HydrophobicContact CZ2-CB 3.93Å; W10-E181 HydrophobicContact CZ2-CG 3.46Å; W10-E181 VanDerWaalsContact CZ2-CG 3.46Å; W10-E181 HydrophobicContact CZ3-CG 4.3Å; W10-E181 PolarHBondContact NE1-OE1 3.49Å; W10-V183 HydrophobicContact CH2-CG2 3.94Å; W10-L208 HydrophobicContact CE3-CD2 3.9Å; W10-L208 HydrophobicContact CE3-CG 4.15Å; W10-L208 HydrophobicContact CZ3-CD2 3.63Å; W10-L208 HydrophobicContact CZ3-CG 3.67Å; W10-Q209 HydrophobicContact CB-CB 4.31Å; W10-Q209 HydrophobicContact CB-CG 4.5Å; W10-Q209 HydrophobicContact CD2-CB 3.73Å; W10-Q209 HydrophobicContact CD2-CG 3.77Å; W10-Q209 HydrophobicContact CE3-CB 3.72Å; W10-Q209 HydrophobicContact CE3-CG 4.23Å; W10-Q209 HydrophobicContact CG-CB 4.03Å; W10-Q209 HydrophobicContact CG-CG 3.9Å; W10-Q209 HydrophobicContact CZ3-CB 4.36Å; W10-V212 HydrophobicContact CH2-CB 4.05Å; W10-V212 HydrophobicContact CH2-CG1 4.06Å; W10-V212 HydrophobicContact CH2-CG2 3.92Å; W10-V212 HydrophobicContact CZ2-CG1 4.47Å; W10-V212 HydrophobicContact CZ3-CG2 4.3Å
11V95.4Very high78.4Confident19 Ų1981 Ų8112%0.11544%0.437CS..Hα-helixtrans-52.5-41.6170.4175.70000112.3P9 R15 R202 L205 N206P9-V11 PolarHBondContact O-N 2.98Å; P9-V11 VanDerWaalsContact O-N 3.13Å; V11-R15 WeakPolarHBondContact O-CB 3.4Å; V11-R15 PolarHBondContact O-N 2.84Å; V11-R202 HydrophobicContact CB-CG 4.48Å; V11-R202 HydrophobicContact CG1-CB 4.39Å; V11-R202 HydrophobicContact CG1-CG 3.78Å; V11-R202 HydrophobicContact CG2-CG 3.82Å; V11-L205 HydrophobicContact CG2-CB 4.03Å; V11-N206 WeakPolarHBondContact CG2-OD1 3.23Å
12E94.5Very high80.9Confident83 Ų8370.6 Ų70.639%0.38839%0.386SS..Hα-helixtrans-87.1-43.4178.7-63.2-49.4130.200112P9 W10 Y14 R15P9-E12 PolarHBondContact O-N 2.73Å; W10-E12 PolarHBondContact O-N 3.36Å; E12-Y14 VanDerWaalsContact C-N 3.27Å; E12-Y14 PolarHBondContact O-N 3.48Å; E12-R15 VanDerWaalsContact CD-NH2 3.28Å; E12-R15 WeakPolarHBondContact O-CB 3.35Å; E12-R15 PolarHBondContact O-N 2.71Å; E12-R15 VanDerWaalsContact O-N 3.17Å; E12-R15 IonicContact OE1-CZ 3.64Å; E12-R15 IonicContact OE1-NE 2.97Å; E12-R15 IonicContact OE1-NH2 3.21Å; E12-R15 PolarHBondContact OE1-NH2 3.15Å; E12-R15 IonicContact OE2-CZ 3.04Å; E12-R15 IonicContact OE2-NE 3Å; E12-R15 PolarHBondContact OE2-NE 3.41Å; E12-R15 IonicContact OE2-NH2 2.63Å; E12-R15 PolarHBondContact OE2-NH2 3.23Å; E12-R15 VanDerWaalsContact OE2-NH2 3.1Å
13K95.3Very high82.5Confident75 Ų7569.2 Ų69.233%0.32636%0.362SS..Hα-helixtrans-56.3-43179.2-176.5178.9173.9-174.70111.6L8 P9 W10 E181L8-K13 HydrophobicContact CB-CB 4.28Å; P9-K13 PolarHBondContact O-N 2.92Å; W10-K13 PolarHBondContact O-N 3.48Å; K13-E181 WeakPolarHBondContact CE-OE1 3.22Å; K13-E181 IonicContact NZ-OE1 3.1Å; K13-E181 PolarHBondContact NZ-OE1 3.05Å; K13-E181 IonicContact NZ-OE2 3.52Å; K13-E181 PolarHBondContact NZ-OE2 2.82Å; K13-E181 VanDerWaalsContact NZ-OE2 3.12Å
14Y94.8Very high84.3Confident15 Ų1562.1 Ų62.16%0.05933%0.333CS..THydrogen-bonded Turntrans-101.816.8-178.7-63.4-75.7000113.2W10 E12 P16 R173 Y176 V177 E180 E181W10-Y14 HydrophobicContact CB-CD2 3.97Å; W10-Y14 HydrophobicContact CB-CE2 4.39Å; W10-Y14 HydrophobicContact CD2-CE2 4.43Å; W10-Y14 HydrophobicContact CG-CD2 4.2Å; W10-Y14 HydrophobicContact CG-CE2 4.12Å; W10-Y14 WeakPolarHBondContact O-CB 3.33Å; W10-Y14 WeakPolarHBondContact O-CD2 3.46Å; W10-Y14 PolarHBondContact O-N 2.77Å; E12-Y14 VanDerWaalsContact C-N 3.27Å; E12-Y14 PolarHBondContact O-N 3.48Å; Y14-P16 VanDerWaalsContact O-CD 3.25Å; Y14-P16 WeakPolarHBondContact O-CD 3.5Å; Y14-R173 PolarHBondContact O-NH2 3.27Å; Y14-Y176 HydrophobicContact CD1-CD1 4.38Å; Y14-Y176 AromaticContact CD1-CE1 3.91Å; Y14-Y176 HydrophobicContact CD1-CE1 3.91Å; Y14-Y176 HydrophobicContact CE1-CE1 4.19Å; Y14-V177 HydrophobicContact CD1-CG2 3.87Å; Y14-V177 HydrophobicContact CD2-CB 4.4Å; Y14-V177 HydrophobicContact CD2-CG1 3.73Å; Y14-V177 HydrophobicContact CD2-CG2 3.86Å; Y14-V177 HydrophobicContact CE1-CG2 4.36Å; Y14-V177 HydrophobicContact CE2-CB 4.48Å; Y14-V177 HydrophobicContact CE2-CG1 3.61Å; Y14-V177 HydrophobicContact CE2-CG2 4.37Å; Y14-V177 HydrophobicContact CG-CG1 4.32Å; Y14-V177 HydrophobicContact CG-CG2 3.6Å; Y14-E180 HydrophobicContact CE1-CB 3.85Å; Y14-E180 HydrophobicContact CE1-CG 4.15Å; Y14-E180 WeakPolarHBondContact OH-CB 3.23Å; Y14-E181 HydrophobicContact CE2-CG 4.02Å; Y14-E181 VanDerWaalsContact CE2-OE1 3.25Å; Y14-E181 WeakPolarHBondContact CE2-OE1 3.42Å; Y14-E181 WeakPolarHBondContact OH-CG 3.38Å; Y14-E181 PolarHBondContact OH-OE1 2.95Å
15R94.4Very high86Confident62 Ų6259.8 Ų59.823%0.23432%0.315CS..  trans-64.1121.2173-171.9-177.6-73.5-141.9-0109.2V11 E12 T17 T56V11-R15 WeakPolarHBondContact O-CB 3.4Å; V11-R15 PolarHBondContact O-N 2.84Å; E12-R15 VanDerWaalsContact CD-NH2 3.28Å; E12-R15 WeakPolarHBondContact O-CB 3.35Å; E12-R15 PolarHBondContact O-N 2.71Å; E12-R15 VanDerWaalsContact O-N 3.17Å; E12-R15 IonicContact OE1-CZ 3.64Å; E12-R15 IonicContact OE1-NE 2.97Å; E12-R15 IonicContact OE1-NH2 3.21Å; E12-R15 PolarHBondContact OE1-NH2 3.15Å; E12-R15 IonicContact OE2-CZ 3.04Å; E12-R15 IonicContact OE2-NE 3Å; E12-R15 PolarHBondContact OE2-NE 3.41Å; E12-R15 IonicContact OE2-NH2 2.63Å; E12-R15 PolarHBondContact OE2-NH2 3.23Å; E12-R15 VanDerWaalsContact OE2-NH2 3.1Å; R15-T17 PolarHBondContact O-N 3.03Å; R15-T56 HydrophobicContact CG-CG2 4.05Å
16P92.8Very high87.3Confident21 Ų2163.8 Ų63.814%0.13632%0.32CS..  trans-52.8135.1176.3-28.335000112.4Y14 Q21 L22 T56Y14-P16 VanDerWaalsContact O-CD 3.25Å; Y14-P16 WeakPolarHBondContact O-CD 3.5Å; P16-Q21 HydrophobicContact CB-CB 3.86Å; P16-L22 HydrophobicContact CB-CD2 3.94Å; P16-L22 HydrophobicContact CG-CD2 4.19Å; P16-T56 HydrophobicContact CB-CG2 3.7Å; P16-T56 HydrophobicContact CG-CG2 3.95Å; P16-T56 WeakPolarHBondContact O-CG2 3.49Å
17T89.9Confident88.8Confident64 Ų6461.7 Ų61.739%0.39332%0.315SS..  trans-106-20.4-179.7580000113R15 Q21R15-T17 PolarHBondContact O-N 3.03Å; T17-Q21 PolarHBondContact OG1-OE1 3.21Å
18K90.2Very high89.3Confident123 Ų12359 Ų5954%0.53530%0.295SS..SBendtrans-123.6157.7-179.5-63.1178.8-179.3-179.90110.5D20 Q21K18-D20 VanDerWaalsContact C-N 3.34Å; K18-D20 WeakPolarHBondContact CB-OD1 3.09Å; K18-D20 PolarHBondContact O-N 2.93Å; K18-Q21 HydrophobicContact CB-CG 4.32Å; K18-Q21 PolarHBondContact O-N 3.34Å
19L86.5Confident89.5Confident14 Ų1457.6 Ų57.67%0.07329%0.288CS..G310 helixtrans-68.6-30.7-178.4-70-177.7000113.7Q21 L22 V29 M36 T57 A60L19-Q21 PolarHBondContact O-N 3.08Å; L19-L22 HydrophobicContact CD2-CD1 3.61Å; L19-L22 WeakPolarHBondContact O-CB 3.26Å; L19-L22 PolarHBondContact O-N 2.92Å; L19-V29 HydrophobicContact CB-CG1 3.92Å; L19-V29 HydrophobicContact CD1-CG1 4.48Å; L19-V29 HydrophobicContact CD2-CG1 4.49Å; L19-M36 HydrophobicContact CD1-CE 3.4Å; L19-T57 HydrophobicContact CD2-CG2 4.42Å; L19-A60 HydrophobicContact CD2-CB 3.67Å; L19-A60 HydrophobicContact CG-CB 4.16Å
20D85.8Confident89.3Confident128 Ų12861 Ų6168%0.68430%0.298SS*.G310 helixtrans-67.4-22.3175.759.5-8.5000113.2K18 L22K18-D20 VanDerWaalsContact C-N 3.34Å; K18-D20 WeakPolarHBondContact CB-OD1 3.09Å; K18-D20 PolarHBondContact O-N 2.93Å; D20-L22 VanDerWaalsContact C-N 3.32Å
21Q86.2Confident89.2Confident70 Ų7062 Ų6233%0.32731%0.308SS..G310 helixtrans-83.4-6.8176.5-65.8175.2-1500113.2P16 T17 K18 L19 V23P16-Q21 HydrophobicContact CB-CB 3.86Å; T17-Q21 PolarHBondContact OG1-OE1 3.21Å; K18-Q21 HydrophobicContact CB-CG 4.32Å; K18-Q21 PolarHBondContact O-N 3.34Å; L19-Q21 PolarHBondContact O-N 3.08Å; Q21-V23 PolarHBondContact O-N 2.97Å
22L86.5Confident89.1Confident23 Ų2361.1 Ų61.112%0.1230%0.302CS..  trans-78.1117175.6-63.9170.5000109.1P16 L19 D20 S24 V29 T56 T57P16-L22 HydrophobicContact CB-CD2 3.94Å; P16-L22 HydrophobicContact CG-CD2 4.19Å; L19-L22 HydrophobicContact CD2-CD1 3.61Å; L19-L22 WeakPolarHBondContact O-CB 3.26Å; L19-L22 PolarHBondContact O-N 2.92Å; D20-L22 VanDerWaalsContact C-N 3.32Å; L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 2.93Å; L22-V29 HydrophobicContact CB-CG2 4.29Å; L22-V29 HydrophobicContact CD1-CG2 3.75Å; L22-T56 HydrophobicContact CD2-CG2 3.82Å; L22-T57 HydrophobicContact CD1-CG2 4Å
23V77.1Confident88.9Confident46 Ų4658.2 Ų58.228%0.27929%0.294SS..  trans-76.8-19.7-174.4-1660000112.5Q21 E169 R173Q21-V23 PolarHBondContact O-N 2.97Å; V23-E169 HydrophobicContact CB-CB 4.44Å; V23-E169 HydrophobicContact CG1-CB 3.79Å; V23-E169 HydrophobicContact CG1-CG 4.27Å; V23-E169 VanDerWaalsContact CG1-O 3.31Å; V23-E169 WeakPolarHBondContact CG1-O 3.32Å; V23-R173 HydrophobicContact CG2-CB 4.11Å; V23-R173 HydrophobicContact CG2-CG 4.48Å
24S78.6Confident88.8Confident12 Ų1257.1 Ų57.18%0.08430%0.296CS..SBendtrans-124.3174.7-172.4680000113.7L22 K26 L165 E169L22-S24 VanDerWaalsContact C-N 3.29Å; L22-S24 PolarHBondContact O-N 2.93Å; S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.3Å; S24-L165 WeakPolarHBondContact OG-CD2 3.4Å; S24-E169 VanDerWaalsContact CB-OE2 3.25Å; S24-E169 WeakPolarHBondContact CB-OE2 3.34Å
25Q82.4Confident88.7Confident46 Ų4658.3 Ų58.322%0.21530%0.302CS..  trans56.941.8174.8-55.5-61.4-15.900112.4D27 I28 V29 F162 G163Q25-D27 PolarHBondContact O-N 3.45Å; Q25-D27 VanDerWaalsContact O-N 3.14Å; Q25-I28 HydrophobicContact CB-CB 4.01Å; Q25-I28 HydrophobicContact CB-CD1 3.87Å; Q25-I28 HydrophobicContact CB-CG1 4.02Å; Q25-I28 HydrophobicContact CG-CD1 4.05Å; Q25-I28 WeakPolarHBondContact O-CA 3.38Å; Q25-I28 WeakPolarHBondContact O-CB 3.29Å; Q25-I28 PolarHBondContact O-N 3.22Å; Q25-V29 PolarHBondContact O-N 2.77Å; Q25-F162 HydrophobicContact CG-CD1 3.87Å; Q25-F162 HydrophobicContact CG-CE1 4.24Å; Q25-G163 PolarHBondContact NE2-O 3.48Å
26K85.4Confident88.5Confident152 Ų15256.1 Ų56.166%0.66129%0.294SS*.Hα-helixtrans-52.6-38.4-176.5-67.4-175179.4179.70112.7S24 V29 H30S24-K26 VanDerWaalsContact C-N 3.29Å; S24-K26 PolarHBondContact O-N 3.3Å; K26-V29 PolarHBondContact O-N 2.95Å; K26-H30 VanDerWaalsContact O-CB 3.23Å; K26-H30 WeakPolarHBondContact O-CB 3.5Å; K26-H30 PolarHBondContact O-N 2.99Å
27D90Very high88.3Confident133 Ų13363.3 Ų63.371%0.71132%0.323SS*.Hα-helixtrans-64.3-43.3176.8-59.2-29.7000111.8Q25 H30 T31Q25-D27 PolarHBondContact O-N 3.45Å; Q25-D27 VanDerWaalsContact O-N 3.14Å; D27-H30 PolarHBondContact O-N 3.09Å; D27-T31 WeakPolarHBondContact O-CB 3.13Å; D27-T31 PolarHBondContact O-N 2.88Å; D27-T31 PolarHBondContact O-OG1 3.12Å
28I91.9Very high88.3Confident12 Ų1266 Ų666%0.06233%0.331CS..Hα-helixtrans-62.7-48.1176.3-56.5-174.5000109.9Q25 H30 T31 L32 F160 R161 F162Q25-I28 HydrophobicContact CB-CB 4.01Å; Q25-I28 HydrophobicContact CB-CD1 3.87Å; Q25-I28 HydrophobicContact CB-CG1 4.02Å; Q25-I28 HydrophobicContact CG-CD1 4.05Å; Q25-I28 WeakPolarHBondContact O-CA 3.38Å; Q25-I28 WeakPolarHBondContact O-CB 3.29Å; Q25-I28 PolarHBondContact O-N 3.22Å; I28-H30 VanDerWaalsContact C-N 3.32Å; I28-H30 PolarHBondContact O-N 3.36Å; I28-T31 PolarHBondContact O-N 3.22Å; I28-L32 HydrophobicContact CG2-CD1 3.76Å; I28-L32 HydrophobicContact CG2-CG 4.28Å; I28-L32 WeakPolarHBondContact O-CB 3.31Å; I28-L32 VanDerWaalsContact O-CG 3.25Å; I28-L32 WeakPolarHBondContact O-CG 3.28Å; I28-L32 PolarHBondContact O-N 3.01Å; I28-F160 HydrophobicContact CB-CD1 4.15Å; I28-F160 HydrophobicContact CD1-CB 4.2Å; I28-F160 HydrophobicContact CD1-CD1 4.26Å; I28-F160 HydrophobicContact CG1-CD1 3.9Å; I28-F160 HydrophobicContact CG2-CB 4.23Å; I28-F160 HydrophobicContact CG2-CD1 3.63Å; I28-F160 HydrophobicContact CG2-CE1 4.14Å; I28-F160 HydrophobicContact CG2-CG 4.01Å; I28-R161 WeakPolarHBondContact CD1-O 3.44Å; I28-F162 HydrophobicContact CD1-CD2 4.27Å; I28-F162 HydrophobicContact CD1-CE2 4.11Å; I28-F162 HydrophobicContact CD1-CZ 4.28Å; I28-F162 HydrophobicContact CG2-CE2 4.39Å; I28-F162 HydrophobicContact CG2-CZ 4.02Å
29V90.4Very high88.1Confident26 Ų2664.4 Ų64.416%0.15833%0.329CS..Hα-helixtrans-60.7-43.4179.1175.80000110.9L19 L22 Q25 K26 G33L19-V29 HydrophobicContact CB-CG1 3.92Å; L19-V29 HydrophobicContact CD1-CG1 4.48Å; L19-V29 HydrophobicContact CD2-CG1 4.49Å; L22-V29 HydrophobicContact CB-CG2 4.29Å; L22-V29 HydrophobicContact CD1-CG2 3.75Å; Q25-V29 PolarHBondContact O-N 2.77Å; K26-V29 PolarHBondContact O-N 2.95Å; V29-G33 PolarHBondContact O-N 3.16Å
30H92Very high88.2Confident133 Ų13368.7 Ų68.762%0.61635%0.351SS*.Hα-helixtrans-62.9-49176.8176.3-93.4000111.9K26 D27 I28 L32 G33 S34K26-H30 VanDerWaalsContact O-CB 3.23Å; K26-H30 WeakPolarHBondContact O-CB 3.5Å; K26-H30 PolarHBondContact O-N 2.99Å; D27-H30 PolarHBondContact O-N 3.09Å; I28-H30 VanDerWaalsContact C-N 3.32Å; I28-H30 PolarHBondContact O-N 3.36Å; H30-L32 PolarHBondContact O-N 3.43Å; H30-G33 PolarHBondContact O-N 2.89Å; H30-S34 PolarHBondContact O-N 2.86Å; H30-S34 PolarHBondContact O-OG 2.94Å
31T93Very high88.6Confident46 Ų4662.7 Ų62.728%0.28232%0.319SS..Hα-helixtrans-61.1-45178-62.70000112D27 I28 G33 S34 F35 F160D27-T31 WeakPolarHBondContact O-CB 3.13Å; D27-T31 PolarHBondContact O-N 2.88Å; D27-T31 PolarHBondContact O-OG1 3.12Å; I28-T31 PolarHBondContact O-N 3.22Å; T31-G33 VanDerWaalsContact C-N 3.33Å; T31-G33 PolarHBondContact O-N 2.81Å; T31-S34 PolarHBondContact O-N 2.78Å; T31-F35 HydrophobicContact CG2-CD2 4.05Å; T31-F35 HydrophobicContact CG2-CE1 4.28Å; T31-F35 HydrophobicContact CG2-CE2 3.4Å; T31-F35 HydrophobicContact CG2-CZ 3.54Å; T31-F35 WeakPolarHBondContact O-CG 3.18Å; T31-F35 PolarHBondContact O-N 2.89Å; T31-F160 HydrophobicContact CG2-CE1 4.07Å; T31-F160 HydrophobicContact CG2-CZ 3.83Å
32L93.3Very high89Confident0 Ų061.1 Ų61.10%032%0.315CS..Hα-helixtrans-62.5-42.2175.3-69171.9000111.1I28 H30 S34 F35 M36 L41 L44 F46 T57 F160I28-L32 HydrophobicContact CG2-CD1 3.76Å; I28-L32 HydrophobicContact CG2-CG 4.28Å; I28-L32 WeakPolarHBondContact O-CB 3.31Å; I28-L32 VanDerWaalsContact O-CG 3.25Å; I28-L32 WeakPolarHBondContact O-CG 3.28Å; I28-L32 PolarHBondContact O-N 3.01Å; H30-L32 PolarHBondContact O-N 3.43Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 2.62Å; L32-F35 PolarHBondContact O-N 2.79Å; L32-M36 HydrophobicContact CB-CE 4.44Å; L32-M36 WeakPolarHBondContact O-CE 3.35Å; L32-M36 VanDerWaalsContact O-CG 3.26Å; L32-M36 WeakPolarHBondContact O-CG 3.49Å; L32-M36 PolarHBondContact O-N 2.78Å; L32-L41 HydrophobicContact CD2-CD1 4.12Å; L32-L44 HydrophobicContact CD2-CD1 3.91Å; L32-L44 HydrophobicContact CD2-CD2 4.04Å; L32-F46 HydrophobicContact CD1-CE1 4.43Å; L32-F46 HydrophobicContact CD1-CZ 3.71Å; L32-F46 HydrophobicContact CD2-CZ 4.28Å; L32-T57 HydrophobicContact CD1-CG2 3.81Å; L32-F160 HydrophobicContact CD2-CE2 4.07Å; L32-F160 HydrophobicContact CD2-CZ 4.32Å
33G90.9Very high89.6Confident22 Ų2260.6 Ų60.623%0.22731%0.311CS..Hα-helixtrans-51.2-51.1172.800000112.4V29 H30 T31 M36 K37V29-G33 PolarHBondContact O-N 3.16Å; H30-G33 PolarHBondContact O-N 2.89Å; T31-G33 VanDerWaalsContact C-N 3.33Å; T31-G33 PolarHBondContact O-N 2.81Å; G33-M36 PolarHBondContact O-N 3.24Å; G33-K37 WeakPolarHBondContact O-CB 3.26Å; G33-K37 PolarHBondContact O-N 3.17Å
34S92.4Very high90.6Very high52 Ų5258.5 Ų58.536%0.36430%0.298SS..Hα-helixtrans-62.8-44.7177.8-63.90000112.6H30 T31 L32 M36 K37 E38H30-S34 PolarHBondContact O-N 2.86Å; H30-S34 PolarHBondContact O-OG 2.94Å; T31-S34 PolarHBondContact O-N 2.78Å; L32-S34 VanDerWaalsContact C-N 3.34Å; L32-S34 PolarHBondContact O-N 2.62Å; S34-M36 VanDerWaalsContact C-N 3.34Å; S34-M36 PolarHBondContact O-N 2.84Å; S34-K37 PolarHBondContact O-N 3.08Å; S34-E38 WeakPolarHBondContact O-CG 3.45Å; S34-E38 PolarHBondContact O-N 2.59Å; S34-E38 VanDerWaalsContact O-N 3.08Å
35F92.5Very high91.5Very high40 Ų4057.9 Ų57.918%0.17529%0.294CS..Hα-helixtrans-65-36.6178.1-66.3-25.6000113.8T31 L32 N39 I40 L41 P42 M158 F160T31-F35 HydrophobicContact CG2-CD2 4.05Å; T31-F35 HydrophobicContact CG2-CE1 4.28Å; T31-F35 HydrophobicContact CG2-CE2 3.4Å; T31-F35 HydrophobicContact CG2-CZ 3.54Å; T31-F35 WeakPolarHBondContact O-CG 3.18Å; T31-F35 PolarHBondContact O-N 2.89Å; L32-F35 PolarHBondContact O-N 2.79Å; F35-N39 PolarHBondContact O-N 3.37Å; F35-N39 VanDerWaalsContact O-N 3.11Å; F35-I40 HydrophobicContact CB-CG1 4.38Å; F35-I40 HydrophobicContact CD1-CD1 4.09Å; F35-I40 HydrophobicContact CD1-CG1 4.04Å; F35-I40 PolarHBondContact O-N 3.39Å; F35-L41 HydrophobicContact CB-CD1 3.84Å; F35-L41 HydrophobicContact CD2-CD1 4.35Å; F35-P42 HydrophobicContact CD2-CG 4.45Å; F35-P42 HydrophobicContact CE2-CG 4.37Å; F35-M158 HydrophobicContact CE2-CE 4.11Å; F35-M158 HydrophobicContact CE2-SD 3.36Å; F35-M158 WeakPolarHBondContact CE2-SD 3.37Å; F35-M158 HydrophobicContact CZ-CE 3.86Å; F35-M158 HydrophobicContact CZ-SD 3.67Å; F35-F160 HydrophobicContact CE2-CZ 4.22Å
36M89.9Confident92.3Very high15 Ų1555.7 Ų55.77%0.07428%0.284CS..Hα-helixtrans-69.8-40.3176.5-68.1-175.9-67.600111.3L19 L32 G33 S34 E38 N39 L41 C61 L65L19-M36 HydrophobicContact CD1-CE 3.4Å; L32-M36 HydrophobicContact CB-CE 4.44Å; L32-M36 WeakPolarHBondContact O-CE 3.35Å; L32-M36 VanDerWaalsContact O-CG 3.26Å; L32-M36 WeakPolarHBondContact O-CG 3.49Å; L32-M36 PolarHBondContact O-N 2.78Å; G33-M36 PolarHBondContact O-N 3.24Å; S34-M36 VanDerWaalsContact C-N 3.34Å; S34-M36 PolarHBondContact O-N 2.84Å; M36-E38 VanDerWaalsContact C-N 3.34Å; M36-E38 PolarHBondContact O-N 3.36Å; M36-N39 PolarHBondContact O-N 3.21Å; M36-L41 HydrophobicContact CG-CD1 4.28Å; M36-C61 HydrophobicContact CE-CB 4.32Å; M36-C61 HydrophobicContact SD-CB 3.66Å; M36-L65 HydrophobicContact CB-CD2 3.85Å; M36-L65 HydrophobicContact CG-CD1 4.13Å; M36-L65 HydrophobicContact CG-CD2 3.79Å; M36-L65 HydrophobicContact CG-CG 4.02Å; M36-L65 HydrophobicContact SD-CD1 4.01Å; M36-L65 HydrophobicContact SD-CD2 4.13Å; M36-L65 HydrophobicContact SD-CG 3.75Å
37K89Confident92.9Very high173 Ų17350.6 Ų50.675%0.75226%0.261SS*.Hα-helixtrans-60.2-44.5177-175.4-178.1175.3-173.40111.8G33 S34 N39G33-K37 WeakPolarHBondContact O-CB 3.26Å; G33-K37 PolarHBondContact O-N 3.17Å; S34-K37 PolarHBondContact O-N 3.08Å; K37-N39 VanDerWaalsContact C-N 3.27Å; K37-N39 PolarHBondContact O-N 3.14Å
38E89.8Confident93.2Very high120 Ų12044.5 Ų44.556%0.56123%0.23SC*.THydrogen-bonded Turntrans-83.2-0.7179.4-59.6-53.1136.600113.1S34 M36 I40S34-E38 WeakPolarHBondContact O-CG 3.45Å; S34-E38 PolarHBondContact O-N 2.59Å; S34-E38 VanDerWaalsContact O-N 3.08Å; M36-E38 VanDerWaalsContact C-N 3.34Å; M36-E38 PolarHBondContact O-N 3.36Å; E38-I40 HydrophobicContact CB-CD1 3.88Å; E38-I40 HydrophobicContact CB-CG1 3.85Å; E38-I40 HydrophobicContact CB-CG2 4.35Å; E38-I40 WeakPolarHBondContact O-CG2 3.41Å; E38-I40 PolarHBondContact O-N 3.31Å
39N85.9Confident93.4Very high90 Ų9046.4 Ų46.448%0.48124%0.243SC..THydrogen-bonded Turntrans54.632.5-176.8-166.544.8000113.8F35 M36 K37 F107F35-N39 PolarHBondContact O-N 3.37Å; F35-N39 VanDerWaalsContact O-N 3.11Å; M36-N39 PolarHBondContact O-N 3.21Å; K37-N39 VanDerWaalsContact C-N 3.27Å; K37-N39 PolarHBondContact O-N 3.14Å; N39-F107 WeakPolarHBondContact OD1-CE1 3.34Å
40I90Very high93.7Very high104 Ų10448.1 Ų48.153%0.53326%0.255SS..  trans-111.819.7-178.862.4-180000112.9F35 E38 P42F35-I40 HydrophobicContact CB-CG1 4.38Å; F35-I40 HydrophobicContact CD1-CD1 4.09Å; F35-I40 HydrophobicContact CD1-CG1 4.04Å; F35-I40 PolarHBondContact O-N 3.39Å; E38-I40 HydrophobicContact CB-CD1 3.88Å; E38-I40 HydrophobicContact CB-CG1 3.85Å; E38-I40 HydrophobicContact CB-CG2 4.35Å; E38-I40 WeakPolarHBondContact O-CG2 3.41Å; E38-I40 PolarHBondContact O-N 3.31Å; I40-P42 WeakPolarHBondContact O-CD 3.39Å; I40-P42 VanDerWaalsContact O-N 3.13Å
41L93Very high93.8Very high2 Ų242.4 Ų42.41%0.0123%0.232CC..  trans-53.2119.5-177.5-166.872.8000110.7L32 F35 M36 L44 L65 F107 R138L32-L41 HydrophobicContact CD2-CD1 4.12Å; F35-L41 HydrophobicContact CB-CD1 3.84Å; F35-L41 HydrophobicContact CD2-CD1 4.35Å; M36-L41 HydrophobicContact CG-CD1 4.28Å; L41-L44 HydrophobicContact CD1-CD1 4.17Å; L41-L44 HydrophobicContact CD1-CD2 4.45Å; L41-L44 HydrophobicContact CD2-CD1 4.35Å; L41-L44 HydrophobicContact CG-CD1 4.37Å; L41-L65 HydrophobicContact CD2-CD1 4.07Å; L41-F107 HydrophobicContact CB-CE1 4.27Å; L41-F107 HydrophobicContact CB-CZ 3.81Å; L41-F107 HydrophobicContact CD2-CE2 4.03Å; L41-F107 HydrophobicContact CD2-CZ 3.87Å; L41-F107 HydrophobicContact CG-CZ 4.5Å; L41-R138 WeakPolarHBondContact O-CD 3.36Å; L41-R138 PolarHBondContact O-NE 3.3Å
42P95.7Very high93.9Very high37 Ų3740.4 Ų40.424%0.2422%0.22CC..  trans-78.8179.4176.832.5-34.8000111.1F35 I40 L44 M158F35-P42 HydrophobicContact CD2-CG 4.45Å; F35-P42 HydrophobicContact CE2-CG 4.37Å; I40-P42 WeakPolarHBondContact O-CD 3.39Å; I40-P42 VanDerWaalsContact O-N 3.13Å; P42-L44 HydrophobicContact CG-CD2 4.12Å; P42-M158 HydrophobicContact CB-CB 4.49Å; P42-M158 HydrophobicContact CG-CB 3.85Å; P42-M158 HydrophobicContact CG-CE 4.4Å; P42-M158 HydrophobicContact CG-SD 4.23Å
43H97.8Very high94Very high12 Ų1241.4 Ų41.46%0.05623%0.229CC..  trans-64.5142.5161.6-52.5-72.8000109T134 V137 F139 R156 C157 M158H43-T134 PolarHBondContact NE2-OG1 3Å; H43-V137 PolarHBondContact CE1-O 2.89Å; H43-V137 VanDerWaalsContact CE1-O 3.24Å; H43-F139 CarbonylContact C-O 3.55Å; H43-F139 WeakPolarHBondContact CA-O 3.3Å; H43-F139 AromaticContact CE1-CD2 3.78Å; H43-F139 AromaticContact ND1-CD2 3.59Å; H43-F139 PolarHBondContact ND1-N 3.48Å; H43-R156 WeakPolarHBondContact CB-O 3.25Å; H43-C157 HydrophobicContact CB-CB 4.44Å; H43-C157 CarbonylContact O-C 3.56Å; H43-C157 WeakPolarHBondContact O-CA 3.48Å; H43-M158 PolarHBondContact O-N 3.19Å
44L98.3Very high94.2Very high1 Ų140.9 Ų40.91%0.00522%0.221CC..EExtended strand (participates in β ladder)trans-119.2145.3-171.9-57.1174.2000110.4L32 L41 P42 F46 I58 F139 C140 L141 M158 F160L32-L44 HydrophobicContact CD2-CD1 3.91Å; L32-L44 HydrophobicContact CD2-CD2 4.04Å; L41-L44 HydrophobicContact CD1-CD1 4.17Å; L41-L44 HydrophobicContact CD1-CD2 4.45Å; L41-L44 HydrophobicContact CD2-CD1 4.35Å; L41-L44 HydrophobicContact CG-CD1 4.37Å; P42-L44 HydrophobicContact CG-CD2 4.12Å; L44-F46 HydrophobicContact CB-CD1 4.3Å; L44-F46 HydrophobicContact CB-CE1 3.92Å; L44-F46 HydrophobicContact CD1-CE1 4.01Å; L44-F46 HydrophobicContact CD1-CZ 4Å; L44-F46 HydrophobicContact CD2-CE1 4.48Å; L44-F46 HydrophobicContact CG-CE1 4.37Å; L44-I58 HydrophobicContact CD1-CD1 3.92Å; L44-F139 PolarHBondContact N-O 2.85Å; L44-C140 HydrophobicContact CB-CB 4.15Å; L44-C140 HydrophobicContact CD1-CB 4.5Å; L44-C140 WeakPolarHBondContact O-CA 3.3Å; L44-L141 PolarHBondContact O-N 3.41Å; L44-M158 CarbonylContact C-O 3.53Å; L44-M158 WeakPolarHBondContact CA-O 3.4Å; L44-M158 HydrophobicContact CD2-CB 4.49Å; L44-F160 HydrophobicContact CD2-CD2 4.16Å; L44-F160 HydrophobicContact CD2-CE2 3.74Å
45L98.4Very high94.3Very high0 Ų039.3 Ų39.30%021%0.209CC..EExtended strand (participates in β ladder)trans-131.2108.7169.2-170.3168.1000108.5Y47 L141 L146 I149 Q154 C157 M158 R159 F160L45-Y47 HydrophobicContact CD2-CD1 3.8Å; L45-Y47 HydrophobicContact CD2-CG 4.19Å; L45-L141 CarbonylContact C-O 3.58Å; L45-L141 WeakPolarHBondContact CA-O 3.42Å; L45-L141 HydrophobicContact CG-CB 4.47Å; L45-L146 HydrophobicContact CD1-CD1 3.86Å; L45-L146 HydrophobicContact CD2-CD1 3.55Å; L45-L146 HydrophobicContact CG-CD1 4.4Å; L45-I149 HydrophobicContact CD1-CG2 4.03Å; L45-Q154 HydrophobicContact CD1-CB 4.49Å; L45-Q154 HydrophobicContact CD1-CG 4.04Å; L45-C157 HydrophobicContact CB-CB 3.67Å; L45-M158 PolarHBondContact N-O 3Å; L45-R159 HydrophobicContact CB-CG 4.34Å; L45-R159 WeakPolarHBondContact O-CA 3.19Å; L45-F160 PolarHBondContact O-N 3.24Å
46F98.3Very high94.4Very high0 Ų038.4 Ų38.40%021%0.207CC..EExtended strand (participates in β ladder)trans-96.9124.6177.6-680.9000109.2L32 L44 K54 T57 I58 L141 I142 C143 F160 F162L32-F46 HydrophobicContact CD1-CE1 4.43Å; L32-F46 HydrophobicContact CD1-CZ 3.71Å; L32-F46 HydrophobicContact CD2-CZ 4.28Å; L44-F46 HydrophobicContact CB-CD1 4.3Å; L44-F46 HydrophobicContact CB-CE1 3.92Å; L44-F46 HydrophobicContact CD1-CE1 4.01Å; L44-F46 HydrophobicContact CD1-CZ 4Å; L44-F46 HydrophobicContact CD2-CE1 4.48Å; L44-F46 HydrophobicContact CG-CE1 4.37Å; F46-K54 HydrophobicContact CB-CB 4.26Å; F46-K54 HydrophobicContact CB-CG 4.47Å; F46-K54 WeakPolarHBondContact CD2-O 3.4Å; F46-T57 HydrophobicContact CE2-CG2 4.14Å; F46-I58 HydrophobicContact CD2-CB 4.42Å; F46-I58 HydrophobicContact CE2-CB 3.85Å; F46-L141 PolarHBondContact N-O 3.03Å; F46-I142 HydrophobicContact CB-CG1 4.33Å; F46-I142 WeakPolarHBondContact O-CA 3.45Å; F46-C143 PolarHBondContact O-N 2.86Å; F46-F160 WeakPolarHBondContact CA-O 3.36Å; F46-F160 HydrophobicContact CD1-CB 3.74Å; F46-F160 HydrophobicContact CD1-CD2 4.1Å; F46-F160 HydrophobicContact CD1-CG 4.33Å; F46-F160 HydrophobicContact CE1-CB 3.95Å; F46-F160 AromaticContact CE1-CD2 3.64Å; F46-F160 HydrophobicContact CE1-CD2 3.64Å; F46-F160 HydrophobicContact CE1-CG 4.08Å; F46-F162 HydrophobicContact CB-CD2 4.15Å; F46-F162 HydrophobicContact CB-CE2 3.78Å; F46-F162 AromaticContact CD1-CE2 3.89Å; F46-F162 HydrophobicContact CD1-CE2 3.89Å; F46-F162 AromaticContact CD2-CE2 3.68Å; F46-F162 HydrophobicContact CD2-CE2 3.68Å; F46-F162 AromaticContact CD2-CZ 3.81Å; F46-F162 HydrophobicContact CD2-CZ 3.81Å; F46-F162 HydrophobicContact CE1-CE2 4.38Å; F46-F162 HydrophobicContact CE2-CE2 4.19Å; F46-F162 AromaticContact CE2-CZ 3.98Å; F46-F162 HydrophobicContact CE2-CZ 3.98Å; F46-F162 HydrophobicContact CG-CD2 4.36Å; F46-F162 AromaticContact CG-CE2 3.51Å; F46-F162 HydrophobicContact CG-CE2 3.51Å; F46-F162 HydrophobicContact CG-CZ 4.13Å; F46-F162 HydrophobicContact CZ-CZ 4.44Å
47Y97.9Very high94.7Very high44 Ų4437.9 Ų37.917%0.17321%0.205CC..EExtended strand (participates in β ladder)trans-140.5152.4-177.972.6-77.9000112.9L45 C143 L146 R159 F160 R161 F162L45-Y47 HydrophobicContact CD2-CD1 3.8Å; L45-Y47 HydrophobicContact CD2-CG 4.19Å; Y47-C143 VanDerWaalsContact CA-O 3.3Å; Y47-C143 WeakPolarHBondContact CA-O 3.42Å; Y47-L146 HydrophobicContact CD1-CD1 4.32Å; Y47-L146 HydrophobicContact CD2-CB 3.67Å; Y47-L146 HydrophobicContact CD2-CD2 4.26Å; Y47-L146 HydrophobicContact CD2-CG 4.42Å; Y47-L146 HydrophobicContact CE1-CD2 4.23Å; Y47-L146 HydrophobicContact CE2-CB 4.08Å; Y47-L146 HydrophobicContact CE2-CD2 3.91Å; Y47-L146 HydrophobicContact CG-CB 3.98Å; Y47-L146 HydrophobicContact CG-CD1 4.31Å; Y47-R159 HydrophobicContact CE1-CB 4.04Å; Y47-F160 VanDerWaalsContact CD1-O 3.29Å; Y47-F160 WeakPolarHBondContact CD1-O 3.25Å; Y47-F160 PolarHBondContact N-O 3.43Å; Y47-R161 HydrophobicContact CD2-CG 4.28Å; Y47-R161 HydrophobicContact CE1-CB 3.81Å; Y47-R161 HydrophobicContact CE1-CG 4.42Å; Y47-R161 HydrophobicContact CE2-CB 3.99Å; Y47-R161 HydrophobicContact CE2-CG 3.69Å; Y47-R161 CarbonylContact O-C 3.56Å; Y47-R161 WeakPolarHBondContact O-CA 3.29Å; Y47-F162 PolarHBondContact O-N 3.42Å
48G96.8Very high95Very high6 Ų629.7 Ų29.76%0.06217%0.169CC..SBendtrans141.2178179.200000112.6K54 C143 N144 F162G48-K54 PolarHBondContact O-NZ 3.38Å; G48-C143 PolarHBondContact N-O 3.46Å; G48-N144 WeakPolarHBondContact O-CA 3.21Å; G48-N144 PolarHBondContact O-OD1 3.19Å; G48-F162 WeakPolarHBondContact CA-O 3.34Å
49P96Very high95.2Very high52 Ų5224.4 Ų24.434%0.33815%0.145SC..SBendtrans-54.6158.1-176.616.8-29.2000114T52 K54 F162 P164P49-T52 HydrophobicContact CB-CG2 4.38Å; P49-T52 HydrophobicContact CG-CG2 3.89Å; P49-T52 WeakPolarHBondContact O-CG2 3.29Å; P49-T52 PolarHBondContact O-OG1 3.47Å; P49-K54 PolarHBondContact O-NZ 2.86Å; P49-F162 WeakPolarHBondContact CD-O 3.45Å; P49-P164 HydrophobicContact CG-CG 3.97Å
50P95.8Very high95.6Very high62 Ų6220.2 Ų20.240%0.40312%0.122SC..THydrogen-bonded Turntrans-61.9160.8177.828.3-35.9000112.1T52P50-T52 PolarHBondContact O-N 3.22Å
51G95.3Very high95.7Very high13 Ų1315.3 Ų15.313%0.13410%0.098CC..THydrogen-bonded Turntrans65.98.7173.900000116.9G53 D200 M201G51-G53 VanDerWaalsContact C-N 3.35Å; G51-D200 WeakPolarHBondContact CA-OD1 3.45Å; G51-M201 PolarHBondContact O-N 3.04Å
52T94.9Very high95.8Very high4 Ų415.2 Ų15.23%0.02510%0.097CC..SBendtrans-87.51.4179.351.80000114.5P49 P50 G163P49-T52 HydrophobicContact CB-CG2 4.38Å; P49-T52 HydrophobicContact CG-CG2 3.89Å; P49-T52 WeakPolarHBondContact O-CG2 3.29Å; P49-T52 PolarHBondContact O-OG1 3.47Å; P50-T52 PolarHBondContact O-N 3.22Å; T52-G163 VanDerWaalsContact CG2-O 3.23Å; T52-G163 WeakPolarHBondContact CG2-O 3.38Å
53G94.8Very high95.6Very high20 Ų2019 Ų1921%0.20611%0.107CC..SBendtrans98.34.7173.900000116.6G51 T55 T56 T57G51-G53 VanDerWaalsContact C-N 3.35Å; G53-T55 PolarHBondContact O-N 2.84Å; G53-T56 WeakPolarHBondContact O-CB 3.42Å; G53-T56 PolarHBondContact O-N 3.32Å; G53-T56 VanDerWaalsContact O-N 3.16Å; G53-T57 WeakPolarHBondContact O-CB 3.49Å; G53-T57 PolarHBondContact O-N 3.14Å; G53-T57 PolarHBondContact O-OG1 3.37Å
54K95.5Very high95.2Very high11 Ų1124.1 Ų24.15%0.04813%0.13CC..Hα-helixtrans-46.1-58.5-179.2-55.4-174.8-63.5-85.60113.7F46 G48 P49 T57 I58 I142 C143 N144 F162F46-K54 HydrophobicContact CB-CB 4.26Å; F46-K54 HydrophobicContact CB-CG 4.47Å; F46-K54 WeakPolarHBondContact CD2-O 3.4Å; G48-K54 PolarHBondContact O-NZ 3.38Å; P49-K54 PolarHBondContact O-NZ 2.86Å; K54-T57 PolarHBondContact O-N 3.1Å; K54-I58 PolarHBondContact O-N 3.45Å; K54-I142 HydrophobicContact CB-CG2 3.63Å; K54-I142 HydrophobicContact CD-CG2 3.87Å; K54-I142 VanDerWaalsContact CE-CG2 3.48Å; K54-I142 HydrophobicContact CG-CG2 4.37Å; K54-C143 VanDerWaalsContact CE-O 3.3Å; K54-C143 WeakPolarHBondContact CE-O 3.46Å; K54-N144 PolarHBondContact NZ-OD1 3.18Å; K54-F162 HydrophobicContact CD-CB 4.45Å; K54-F162 HydrophobicContact CG-CB 3.86Å; K54-F162 HydrophobicContact CG-CD1 4.16Å; K54-F162 HydrophobicContact CG-CD2 3.91Å; K54-F162 HydrophobicContact CG-CG 3.7Å
55T95.3Very high94.9Very high19 Ų1924.8 Ų24.812%0.11713%0.134CC..Hα-helixtrans-65.1-44.1180-41.60000111.4G53 T57 I58 L59 D113 I142G53-T55 PolarHBondContact O-N 2.84Å; T55-T57 VanDerWaalsContact C-N 3.33Å; T55-T57 PolarHBondContact O-N 2.86Å; T55-I58 VanDerWaalsContact O-CG2 3.3Å; T55-I58 WeakPolarHBondContact O-CG2 3.44Å; T55-I58 PolarHBondContact O-N 3.04Å; T55-L59 HydrophobicContact CG2-CD1 4Å; T55-L59 WeakPolarHBondContact O-CB 3.08Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.5Å; T55-L59 PolarHBondContact O-N 3.02Å; T55-L59 VanDerWaalsContact O-N 3.08Å; T55-D113 WeakPolarHBondContact CG2-OD2 3.41Å; T55-D113 PolarHBondContact OG1-OD2 2.86Å; T55-I142 HydrophobicContact CG2-CD1 4.28Å
56T94.9Very high94.5Very high21 Ų2125 Ų2513%0.12914%0.135CC..Hα-helixtrans-58.1-44177.5-55.20000112.1R15 P16 L22 G53 L59 A60R15-T56 HydrophobicContact CG-CG2 4.05Å; P16-T56 HydrophobicContact CB-CG2 3.7Å; P16-T56 HydrophobicContact CG-CG2 3.95Å; P16-T56 WeakPolarHBondContact O-CG2 3.49Å; L22-T56 HydrophobicContact CD2-CG2 3.82Å; G53-T56 WeakPolarHBondContact O-CB 3.42Å; G53-T56 PolarHBondContact O-N 3.32Å; G53-T56 VanDerWaalsContact O-N 3.16Å; T56-L59 PolarHBondContact O-N 3.36Å; T56-A60 WeakPolarHBondContact O-CB 3.36Å; T56-A60 PolarHBondContact O-N 2.92Å
57T95.5Very high94Very high5 Ų530 Ų303%0.03116%0.161CC..Hα-helixtrans-63-49.2-178.4-61.40000111.6L19 L22 L32 F46 G53 K54 T55 L59 A60 C61 F162L19-T57 HydrophobicContact CD2-CG2 4.42Å; L22-T57 HydrophobicContact CD1-CG2 4Å; L32-T57 HydrophobicContact CD1-CG2 3.81Å; F46-T57 HydrophobicContact CE2-CG2 4.14Å; G53-T57 WeakPolarHBondContact O-CB 3.49Å; G53-T57 PolarHBondContact O-N 3.14Å; G53-T57 PolarHBondContact O-OG1 3.37Å; K54-T57 PolarHBondContact O-N 3.1Å; T55-T57 VanDerWaalsContact C-N 3.33Å; T55-T57 PolarHBondContact O-N 2.86Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.46Å; T57-A60 PolarHBondContact O-N 3.32Å; T57-C61 PolarHBondContact O-N 3.48Å; T57-C61 PolarHBondContact O-SG 3.14Å; T57-C61 VanDerWaalsContact O-SG 3.34Å; T57-F162 HydrophobicContact CG2-CE1 4.42Å; T57-F162 HydrophobicContact CG2-CZ 4.15Å
58I95.2Very high93.5Very high1 Ų134.4 Ų34.41%0.00519%0.193CC..Hα-helixtrans-67.9-34.2-179.9-17164000112.1L44 F46 K54 T55 C61 A62 L109 I111 C140 I142L44-I58 HydrophobicContact CD1-CD1 3.92Å; F46-I58 HydrophobicContact CD2-CB 4.42Å; F46-I58 HydrophobicContact CE2-CB 3.85Å; K54-I58 PolarHBondContact O-N 3.45Å; T55-I58 VanDerWaalsContact O-CG2 3.3Å; T55-I58 WeakPolarHBondContact O-CG2 3.44Å; T55-I58 PolarHBondContact O-N 3.04Å; I58-C61 HydrophobicContact CD1-CB 4.31Å; I58-C61 WeakPolarHBondContact O-CB 3.47Å; I58-C61 PolarHBondContact O-N 2.91Å; I58-A62 WeakPolarHBondContact O-CB 3.36Å; I58-A62 PolarHBondContact O-N 2.97Å; I58-L109 HydrophobicContact CD1-CD2 4.15Å; I58-L109 HydrophobicContact CG1-CD2 4.27Å; I58-I111 HydrophobicContact CB-CD1 4.48Å; I58-I111 HydrophobicContact CG1-CD1 3.78Å; I58-I111 HydrophobicContact CG1-CG1 3.88Å; I58-I111 HydrophobicContact CG2-CD1 4Å; I58-I111 HydrophobicContact CG2-CG1 4.41Å; I58-I111 HydrophobicContact CG2-CG2 3.87Å; I58-C140 HydrophobicContact CD1-CB 3.75Å; I58-C140 HydrophobicContact CG1-CB 3.69Å; I58-C140 VanDerWaalsContact CG1-SG 3.58Å; I58-I142 HydrophobicContact CG2-CD1 3.88Å
59L94.6Very high93Very high9 Ų943.6 Ų43.65%0.04723%0.231CC..Hα-helixtrans-67-38.3175.2-71.3174.7000111.8T55 T56 T57 A62 R63 I111T55-L59 HydrophobicContact CG2-CD1 4Å; T55-L59 WeakPolarHBondContact O-CB 3.08Å; T55-L59 VanDerWaalsContact O-CG 3.28Å; T55-L59 WeakPolarHBondContact O-CG 3.5Å; T55-L59 PolarHBondContact O-N 3.02Å; T55-L59 VanDerWaalsContact O-N 3.08Å; T56-L59 PolarHBondContact O-N 3.36Å; T57-L59 VanDerWaalsContact C-N 3.32Å; T57-L59 PolarHBondContact O-N 3.46Å; L59-A62 PolarHBondContact O-N 3.26Å; L59-R63 WeakPolarHBondContact O-CG 3.32Å; L59-R63 PolarHBondContact O-N 3.14Å; L59-I111 HydrophobicContact CD2-CD1 3.92Å
60A93.4Very high92.6Very high1 Ų143.7 Ų43.71%0.00823%0.227CC..Hα-helixtrans-64.8-42.5172.500000111.6L19 T56 T57 A62 R63 Q64L19-A60 HydrophobicContact CD2-CB 3.67Å; L19-A60 HydrophobicContact CG-CB 4.16Å; T56-A60 WeakPolarHBondContact O-CB 3.36Å; T56-A60 PolarHBondContact O-N 2.92Å; T57-A60 PolarHBondContact O-N 3.32Å; A60-A62 PolarHBondContact O-N 2.77Å; A60-R63 PolarHBondContact O-N 2.82Å; A60-Q64 PolarHBondContact O-N 2.89Å; A60-Q64 VanDerWaalsContact O-N 3.09Å
61C93.1Very high92.3Very high2 Ų243.1 Ų43.11%0.01422%0.218CC..Hα-helixtrans-58.2-46.2171.4-69.80000111.8M36 T57 I58 R63 Q64 L65M36-C61 HydrophobicContact CE-CB 4.32Å; M36-C61 HydrophobicContact SD-CB 3.66Å; T57-C61 PolarHBondContact O-N 3.48Å; T57-C61 PolarHBondContact O-SG 3.14Å; T57-C61 VanDerWaalsContact O-SG 3.34Å; I58-C61 HydrophobicContact CD1-CB 4.31Å; I58-C61 WeakPolarHBondContact O-CB 3.47Å; I58-C61 PolarHBondContact O-N 2.91Å; C61-R63 VanDerWaalsContact C-N 3.33Å; C61-R63 PolarHBondContact O-N 3.23Å; C61-Q64 PolarHBondContact O-N 2.91Å; C61-Q64 VanDerWaalsContact O-N 3.13Å; C61-L65 WeakPolarHBondContact O-CG 3.27Å; C61-L65 PolarHBondContact O-N 3.03Å
62A93.4Very high92Very high0 Ų047.4 Ų47.40%025%0.246CC..Hα-helixtrans-61.1-41.9-179.900000111.9I58 L59 A60 Q64 L65 Y66 F71 V75 L109I58-A62 WeakPolarHBondContact O-CB 3.36Å; I58-A62 PolarHBondContact O-N 2.97Å; L59-A62 PolarHBondContact O-N 3.26Å; A60-A62 PolarHBondContact O-N 2.77Å; A62-Q64 VanDerWaalsContact C-N 3.28Å; A62-Q64 PolarHBondContact O-N 2.8Å; A62-L65 PolarHBondContact O-N 3.26Å; A62-Y66 VanDerWaalsContact O-CD2 3.27Å; A62-Y66 WeakPolarHBondContact O-CD2 3.38Å; A62-Y66 PolarHBondContact O-N 2.85Å; A62-F71 HydrophobicContact CB-CE2 3.68Å; A62-F71 HydrophobicContact CB-CZ 4.03Å; A62-V75 HydrophobicContact CB-CG1 4.39Å; A62-V75 HydrophobicContact CB-CG2 4.02Å; A62-L109 HydrophobicContact CB-CD2 3.78Å
63R92.4Very high91.7Very high117 Ų11749.9 Ų49.944%0.44226%0.263SS..Hα-helixtrans-67.4-26.5176-72.9174.8-178.2141-1.9113.4L59 A60 C61 F71L59-R63 WeakPolarHBondContact O-CG 3.32Å; L59-R63 PolarHBondContact O-N 3.14Å; A60-R63 PolarHBondContact O-N 2.82Å; C61-R63 VanDerWaalsContact C-N 3.33Å; C61-R63 PolarHBondContact O-N 3.23Å; R63-F71 HydrophobicContact CG-CD2 4.39Å; R63-F71 HydrophobicContact CG-CE2 3.81Å
64Q90.4Very high91.6Very high118 Ų11849 Ų4955%0.55125%0.254SS*.Hα-helixtrans-79.6-34.2173.1-177.1173.2-23.700112.2A60 C61 A62A60-Q64 PolarHBondContact O-N 2.89Å; A60-Q64 VanDerWaalsContact O-N 3.09Å; C61-Q64 PolarHBondContact O-N 2.91Å; C61-Q64 VanDerWaalsContact O-N 3.13Å; A62-Q64 VanDerWaalsContact C-N 3.28Å; A62-Q64 PolarHBondContact O-N 2.8Å
65L90.2Very high91.6Very high16 Ų1649 Ų498%0.08426%0.255CS..Hα-helixtrans-75.8-36.2179.8-76170.3000113.4M36 L41 C61 A62 K106 F107M36-L65 HydrophobicContact CB-CD2 3.85Å; M36-L65 HydrophobicContact CG-CD1 4.13Å; M36-L65 HydrophobicContact CG-CD2 3.79Å; M36-L65 HydrophobicContact CG-CG 4.02Å; M36-L65 HydrophobicContact SD-CD1 4.01Å; M36-L65 HydrophobicContact SD-CD2 4.13Å; M36-L65 HydrophobicContact SD-CG 3.75Å; L41-L65 HydrophobicContact CD2-CD1 4.07Å; C61-L65 WeakPolarHBondContact O-CG 3.27Å; C61-L65 PolarHBondContact O-N 3.03Å; A62-L65 PolarHBondContact O-N 3.26Å; L65-K106 PolarHBondContact O-NZ 2.77Å; L65-F107 HydrophobicContact CD1-CE2 4.21Å; L65-F107 HydrophobicContact CD1-CZ 4.03Å; L65-F107 HydrophobicContact CD2-CZ 4.38Å
66Y91.2Very high91.5Very high4 Ų449.7 Ų49.72%0.01626%0.258CS..SBendtrans-126.4137.4-170.9-49.2-67.5000112A62 M74 V75 K106 F107 L109A62-Y66 VanDerWaalsContact O-CD2 3.27Å; A62-Y66 WeakPolarHBondContact O-CD2 3.38Å; A62-Y66 PolarHBondContact O-N 2.85Å; Y66-M74 HydrophobicContact CD1-CB 3.6Å; Y66-M74 HydrophobicContact CD1-CE 3.97Å; Y66-M74 HydrophobicContact CD1-CG 3.86Å; Y66-M74 HydrophobicContact CD2-CB 4.14Å; Y66-M74 HydrophobicContact CE1-CB 3.86Å; Y66-M74 HydrophobicContact CE1-CE 3.48Å; Y66-M74 VanDerWaalsContact CE1-CE 3.48Å; Y66-M74 HydrophobicContact CE1-CG 4.26Å; Y66-M74 HydrophobicContact CE2-CB 4.38Å; Y66-M74 HydrophobicContact CG-CB 3.74Å; Y66-M74 HydrophobicContact CG-CG 4.35Å; Y66-V75 HydrophobicContact CD2-CG2 3.38Å; Y66-V75 HydrophobicContact CE2-CG2 3.66Å; Y66-V75 HydrophobicContact CG-CG2 4.34Å; Y66-K106 HydrophobicContact CD1-CD 4.36Å; Y66-K106 HydrophobicContact CE1-CB 4.22Å; Y66-K106 HydrophobicContact CE1-CD 4.39Å; Y66-F107 VanDerWaalsContact CE1-O 3.32Å; Y66-F107 WeakPolarHBondContact CE1-O 3.48Å; Y66-F107 VanDerWaalsContact OH-CD2 3.26Å; Y66-F107 WeakPolarHBondContact OH-CD2 3.26Å; Y66-F107 VanDerWaalsContact OH-CE2 3.26Å; Y66-F107 WeakPolarHBondContact OH-CE2 3.42Å; Y66-F107 PolarHBondContact OH-O 2.85Å; Y66-L109 HydrophobicContact CE2-CB 3.89Å; Y66-L109 HydrophobicContact CE2-CD2 4.4Å
67D88Confident91.5Very high104 Ų10453.4 Ų53.456%0.55627%0.274SS*.  trans-64.8150174.1-59.5-37.8000110.9K69 Q70 F71D67-K69 PolarHBondContact O-N 3.47Å; D67-K69 VanDerWaalsContact O-N 3.09Å; D67-Q70 PolarHBondContact O-N 2.7Å; D67-F71 PolarHBondContact O-N 2.92Å
68V87.6Confident91.4Very high138 Ų13853.8 Ų53.884%0.83628%0.275SS*.THydrogen-bonded Turntrans-51.9-38.3179.7-179.30000112.2Q70V68-Q70 VanDerWaalsContact C-N 3.31Å; V68-Q70 PolarHBondContact O-N 3.28Å
69K86.5Confident91.1Very high199 Ų19955.8 Ų55.887%0.86529%0.286SS*.THydrogen-bonded Turntrans-67.7-28.9179.1-64.1-177-178.41790113.5D67D67-K69 PolarHBondContact O-N 3.47Å; D67-K69 VanDerWaalsContact O-N 3.09Å
70Q87Confident90.3Very high54 Ų5456 Ų5625%0.25229%0.29SS..THydrogen-bonded Turntrans-97.4-16.1-178-65.7-175.1-19.500112.5D67 V68 S72 S73 M74D67-Q70 PolarHBondContact O-N 2.7Å; V68-Q70 VanDerWaalsContact C-N 3.31Å; V68-Q70 PolarHBondContact O-N 3.28Å; Q70-S72 PolarHBondContact O-N 3.21Å; Q70-S73 WeakPolarHBondContact O-CA 3.26Å; Q70-S73 PolarHBondContact O-N 2.96Å; Q70-S73 PolarHBondContact O-OG 2.89Å; Q70-M74 HydrophobicContact CB-CG 3.99Å; Q70-M74 WeakPolarHBondContact O-CG 3.41Å; Q70-M74 PolarHBondContact O-N 2.88Å
71F89.4Confident89.5Confident49 Ų4958.7 Ų58.722%0.21531%0.308CS..Hα-helixtrans-48.8-51.4-170.2-166.8-87000113.2A62 R63 D67 S73 M74 V75A62-F71 HydrophobicContact CB-CE2 3.68Å; A62-F71 HydrophobicContact CB-CZ 4.03Å; R63-F71 HydrophobicContact CG-CD2 4.39Å; R63-F71 HydrophobicContact CG-CE2 3.81Å; D67-F71 PolarHBondContact O-N 2.92Å; F71-S73 PolarHBondContact O-N 3.26Å; F71-M74 PolarHBondContact O-N 3.31Å; F71-M74 VanDerWaalsContact O-N 3.12Å; F71-V75 HydrophobicContact CD1-CB 4.21Å; F71-V75 HydrophobicContact CD1-CG2 4.39Å; F71-V75 HydrophobicContact CD2-CG2 4.02Å; F71-V75 HydrophobicContact CE1-CB 3.96Å; F71-V75 HydrophobicContact CE1-CG1 4.09Å; F71-V75 HydrophobicContact CE1-CG2 4.26Å; F71-V75 HydrophobicContact CE2-CB 4.46Å; F71-V75 HydrophobicContact CE2-CG2 3.89Å; F71-V75 HydrophobicContact CG-CG2 4.27Å; F71-V75 HydrophobicContact CZ-CB 4.09Å; F71-V75 HydrophobicContact CZ-CG1 4Å; F71-V75 HydrophobicContact CZ-CG2 4.01Å; F71-V75 WeakPolarHBondContact O-CB 3.41Å; F71-V75 PolarHBondContact O-N 2.56Å
72S88.2Confident88.4Confident103 Ų10364.2 Ų64.272%0.7234%0.337SS*.Hα-helixtrans-64.7-24.6-179.657.10000114.6Q70Q70-S72 PolarHBondContact O-N 3.21Å
73S89.7Confident86.9Confident56 Ų5666.1 Ų66.139%0.39235%0.348SS..Hα-helixtrans-88.6-20.3176.9710000113.2Q70 F71 F96Q70-S73 WeakPolarHBondContact O-CA 3.26Å; Q70-S73 PolarHBondContact O-N 2.96Å; Q70-S73 PolarHBondContact O-OG 2.89Å; F71-S73 PolarHBondContact O-N 3.26Å; S73-F96 WeakPolarHBondContact O-CE2 3.26Å
74M92.5Very high85.3Confident2 Ų271.5 Ų71.51%0.0137%0.368CS..Hα-helixtrans-107.7-19.1-173.8-66.1-56.8-61.400113.7Y66 Q70 F71 N101 K106 F107 K108 L109Y66-M74 HydrophobicContact CD1-CB 3.6Å; Y66-M74 HydrophobicContact CD1-CE 3.97Å; Y66-M74 HydrophobicContact CD1-CG 3.86Å; Y66-M74 HydrophobicContact CD2-CB 4.14Å; Y66-M74 HydrophobicContact CE1-CB 3.86Å; Y66-M74 HydrophobicContact CE1-CE 3.48Å; Y66-M74 VanDerWaalsContact CE1-CE 3.48Å; Y66-M74 HydrophobicContact CE1-CG 4.26Å; Y66-M74 HydrophobicContact CE2-CB 4.38Å; Y66-M74 HydrophobicContact CG-CB 3.74Å; Y66-M74 HydrophobicContact CG-CG 4.35Å; Q70-M74 HydrophobicContact CB-CG 3.99Å; Q70-M74 WeakPolarHBondContact O-CG 3.41Å; Q70-M74 PolarHBondContact O-N 2.88Å; F71-M74 PolarHBondContact O-N 3.31Å; F71-M74 VanDerWaalsContact O-N 3.12Å; M74-N101 PolarHBondContact SD-ND2 3.38Å; M74-K106 HydrophobicContact CE-CB 4.16Å; M74-F107 WeakPolarHBondContact CE-O 3.36Å; M74-K108 HydrophobicContact CE-CG 4.08Å; M74-K108 CarbonylContact O-C 3.57Å; M74-K108 WeakPolarHBondContact O-CA 3.46Å; M74-K108 HydrophobicContact SD-CG 4.35Å; M74-L109 PolarHBondContact O-N 2.8Å
75V94.7Very high84.1Confident11 Ų1168.1 Ų68.17%0.06737%0.365CS..EExtended strand (participates in β ladder)trans-126.6123.6-177.6-173.20000109.4A62 Y66 F71 L109 I111A62-V75 HydrophobicContact CB-CG1 4.39Å; A62-V75 HydrophobicContact CB-CG2 4.02Å; Y66-V75 HydrophobicContact CD2-CG2 3.38Å; Y66-V75 HydrophobicContact CE2-CG2 3.66Å; Y66-V75 HydrophobicContact CG-CG2 4.34Å; F71-V75 HydrophobicContact CD1-CB 4.21Å; F71-V75 HydrophobicContact CD1-CG2 4.39Å; F71-V75 HydrophobicContact CD2-CG2 4.02Å; F71-V75 HydrophobicContact CE1-CB 3.96Å; F71-V75 HydrophobicContact CE1-CG1 4.09Å; F71-V75 HydrophobicContact CE1-CG2 4.26Å; F71-V75 HydrophobicContact CE2-CB 4.46Å; F71-V75 HydrophobicContact CE2-CG2 3.89Å; F71-V75 HydrophobicContact CG-CG2 4.27Å; F71-V75 HydrophobicContact CZ-CB 4.09Å; F71-V75 HydrophobicContact CZ-CG1 4Å; F71-V75 HydrophobicContact CZ-CG2 4.01Å; F71-V75 WeakPolarHBondContact O-CB 3.41Å; F71-V75 PolarHBondContact O-N 2.56Å; V75-L109 CarbonylContact C-O 3.51Å; V75-L109 VanDerWaalsContact CA-O 3.29Å; V75-L109 WeakPolarHBondContact CA-O 3.33Å; V75-L109 HydrophobicContact CG2-CB 4.48Å; V75-I111 HydrophobicContact CG1-CD1 3.88Å; V75-I111 HydrophobicContact CG1-CG1 4.43Å
76L94.6Very high82.9Confident33 Ų3370.7 Ų70.717%0.17338%0.378CS..EExtended strand (participates in β ladder)trans-111.3114.1170.6175.865.4000108.5L78 I93 F96 L109 V110 I111L76-L78 HydrophobicContact CD1-CD2 3.94Å; L76-L78 HydrophobicContact CD1-CG 4.22Å; L76-L78 HydrophobicContact CD2-CD1 3.96Å; L76-L78 HydrophobicContact CD2-CG 4.22Å; L76-L78 HydrophobicContact CG-CD1 4.24Å; L76-L78 HydrophobicContact CG-CD2 4.23Å; L76-L78 HydrophobicContact CG-CG 3.94Å; L76-I93 HydrophobicContact CD2-CG1 4.23Å; L76-F96 HydrophobicContact CB-CD1 3.7Å; L76-F96 HydrophobicContact CB-CD2 3.89Å; L76-F96 HydrophobicContact CB-CE1 3.65Å; L76-F96 HydrophobicContact CB-CE2 3.86Å; L76-F96 HydrophobicContact CB-CG 3.79Å; L76-F96 HydrophobicContact CB-CZ 3.72Å; L76-F96 HydrophobicContact CD2-CB 3.66Å; L76-F96 HydrophobicContact CD2-CD1 3.94Å; L76-F96 HydrophobicContact CD2-CD2 4.48Å; L76-F96 HydrophobicContact CD2-CG 3.79Å; L76-F96 HydrophobicContact CG-CD1 4.47Å; L76-F96 HydrophobicContact CG-CG 4.34Å; L76-L109 PolarHBondContact N-O 3.48Å; L76-V110 HydrophobicContact CB-CG2 4.36Å; L76-V110 HydrophobicContact CD2-CG2 4.42Å; L76-V110 CarbonylContact O-C 3.55Å; L76-V110 WeakPolarHBondContact O-CA 3.05Å; L76-I111 PolarHBondContact O-N 2.83Å
77E94.3Very high82Confident100 Ų10072.6 Ų72.647%0.46740%0.399SS..EExtended strand (participates in β ladder)trans-101.1124.6173.4-175.7176.7179.800109I111E77-I111 WeakPolarHBondContact CA-O 3.08Å
78L92.4Very high81.5Confident12 Ų1270.6 Ų70.66%0.06339%0.39CS..EExtended strand (participates in β ladder)trans-128.4139.9178.3-63.2178.2000109.6L76 V89 Q92 I93 I111 L112 D113L76-L78 HydrophobicContact CD1-CD2 3.94Å; L76-L78 HydrophobicContact CD1-CG 4.22Å; L76-L78 HydrophobicContact CD2-CD1 3.96Å; L76-L78 HydrophobicContact CD2-CG 4.22Å; L76-L78 HydrophobicContact CG-CD1 4.24Å; L76-L78 HydrophobicContact CG-CD2 4.23Å; L76-L78 HydrophobicContact CG-CG 3.94Å; L78-V89 HydrophobicContact CD1-CG1 4.03Å; L78-Q92 HydrophobicContact CD1-CB 4.35Å; L78-I93 HydrophobicContact CD1-CD1 4.13Å; L78-I93 HydrophobicContact CD1-CG1 3.69Å; L78-I111 PolarHBondContact N-O 3.25Å; L78-L112 HydrophobicContact CB-CD1 3.72Å; L78-L112 WeakPolarHBondContact O-CA 3.32Å; L78-D113 PolarHBondContact O-N 3.14Å
79N89Confident81.1Confident43 Ų4364.5 Ų64.523%0.2335%0.353CS..EExtended strand (participates in β ladder)trans-100.9115.4169.2-174.2-1.6000109S81 D82 D83N79-S81 PolarHBondContact ND2-OG 3.37Å; N79-S81 PolarHBondContact O-N 2.94Å; N79-S81 PolarHBondContact OD1-N 3.03Å; N79-S81 PolarHBondContact OD1-OG 3.07Å; N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 PolarHBondContact ND2-OD2 2.6Å; N79-D82 PolarHBondContact O-N 2.87Å; N79-D83 PolarHBondContact O-N 2.82Å
80A78.8Confident80.9Confident15 Ų1560.2 Ų60.212%0.12433%0.332CS..THydrogen-bonded Turntrans-67.5-17.6-175.800000113.9L112 D113 M118A80-L112 HydrophobicContact CB-CD1 4.01Å; A80-L112 HydrophobicContact CB-CG 4.26Å; A80-D113 VanDerWaalsContact CB-O 3.32Å; A80-D113 WeakPolarHBondContact CB-O 3.33Å; A80-D113 PolarHBondContact N-O 2.78Å; A80-M118 HydrophobicContact CB-CG 3.7Å; A80-M118 HydrophobicContact CB-SD 4.45Å
81S75.6Confident80.9Confident57 Ų5762.6 Ų62.640%0.39934%0.343SS..THydrogen-bonded Turntrans-84.8-34.7176.658.80000113.9N79 E114N79-S81 PolarHBondContact ND2-OG 3.37Å; N79-S81 PolarHBondContact O-N 2.94Å; N79-S81 PolarHBondContact OD1-N 3.03Å; N79-S81 PolarHBondContact OD1-OG 3.07Å; S81-E114 WeakPolarHBondContact CB-OE2 3.44Å; S81-E114 PolarHBondContact OG-OE2 3.3Å
82D69.6Low80.9Confident117 Ų11763.6 Ų63.663%0.62635%0.348SS*.THydrogen-bonded Turntrans-82.1-33.9-176.6-70.5-35.1000112.8N79 R84N79-D82 HydrophobicContact CB-CB 4.29Å; N79-D82 PolarHBondContact ND2-OD2 2.6Å; N79-D82 PolarHBondContact O-N 2.87Å; D82-R84 PolarHBondContact O-N 3Å
83D62.7Low81Confident41 Ų4158.7 Ų58.722%0.21931%0.314CS..SBendtrans-75.493.8-176.4-76.3-41.5000110.8N79 G85 V88 V89N79-D83 PolarHBondContact O-N 2.82Å; D83-G85 PolarHBondContact O-N 2.92Å; D83-V88 HydrophobicContact CB-CG1 4.47Å; D83-V89 HydrophobicContact CB-CG2 3.51Å
84R58.7Low81Confident230 Ų23057.8 Ų57.887%0.86830%0.304SS*.  trans-45.989.1177.7-64.2176.4-67.5176.7-0.2112.6D82 V88D82-R84 PolarHBondContact O-N 3Å; R84-V88 VanDerWaalsContact O-CG2 3.31Å; R84-V88 WeakPolarHBondContact O-CG2 3.38Å
85G65.3Low80.9Confident46 Ų4661.7 Ų61.747%0.47433%0.329SS..SBendtrans98.3141.8167.500000114.9D83 G87 V88D83-G85 PolarHBondContact O-N 2.92Å; G85-G87 PolarHBondContact O-N 3.41Å; G85-V88 PolarHBondContact O-N 3.45Å
86I65.4Low80.8Confident70 Ų7062.3 Ų62.336%0.35933%0.33SS..Hα-helixtrans-46.8-35.6179.6-51.4177.8000113R90 T119 D121 A122I86-R90 VanDerWaalsContact O-CB 3.26Å; I86-R90 WeakPolarHBondContact O-CB 3.47Å; I86-R90 PolarHBondContact O-N 2.88Å; I86-T119 HydrophobicContact CD1-CG2 4.33Å; I86-T119 WeakPolarHBondContact CD1-OG1 3.38Å; I86-D121 HydrophobicContact CD1-CB 4.37Å; I86-A122 HydrophobicContact CB-CB 4.12Å; I86-A122 HydrophobicContact CD1-CB 3.89Å; I86-A122 HydrophobicContact CG1-CB 3.69Å; I86-A122 HydrophobicContact CG2-CB 3.56Å
87G72.7Confident80.4Confident45 Ų4560.8 Ų60.846%0.46432%0.323SS..Hα-helixtrans-63.3-40179.700000113.2G85 R90 E91G85-G87 PolarHBondContact O-N 3.41Å; G87-R90 PolarHBondContact O-N 3.13Å; G87-E91 WeakPolarHBondContact O-CB 3.32Å; G87-E91 WeakPolarHBondContact O-CG 3.45Å; G87-E91 PolarHBondContact O-N 2.97Å
88V77.5Confident80Confident61 Ų6159.7 Ų59.737%0.3733%0.326SS..Hα-helixtrans-67.9-53.6-175179.10000110.9D83 R84 G85 R90 E91 Q92D83-V88 HydrophobicContact CB-CG1 4.47Å; R84-V88 VanDerWaalsContact O-CG2 3.31Å; R84-V88 WeakPolarHBondContact O-CG2 3.38Å; G85-V88 PolarHBondContact O-N 3.45Å; V88-R90 VanDerWaalsContact C-N 3.25Å; V88-R90 PolarHBondContact O-N 3.09Å; V88-E91 PolarHBondContact O-N 3.1Å; V88-Q92 HydrophobicContact CG1-CG 4.48Å; V88-Q92 WeakPolarHBondContact O-CB 3.35Å; V88-Q92 WeakPolarHBondContact O-CG 3.4Å; V88-Q92 PolarHBondContact O-N 3.29Å
89V79Confident79.5Confident10 Ų1062.8 Ų62.86%0.06135%0.345CS..Hα-helixtrans-56.8-43.4177.4175.90000110.3L78 D83 I93 L112L78-V89 HydrophobicContact CD1-CG1 4.03Å; D83-V89 HydrophobicContact CB-CG2 3.51Å; V89-I93 HydrophobicContact CG1-CD1 3.76Å; V89-I93 WeakPolarHBondContact O-CB 3.24Å; V89-I93 WeakPolarHBondContact O-CD1 3.33Å; V89-I93 WeakPolarHBondContact O-CG1 3.44Å; V89-I93 PolarHBondContact O-N 3.42Å; V89-I93 VanDerWaalsContact O-N 3.08Å; V89-L112 HydrophobicContact CG1-CD1 4Å
90R82.1Confident78.6Confident110 Ų11070 Ų7042%0.41538%0.375SS..Hα-helixtrans-61-51.9177.5171.5171176.3-171.3-3.6112.1I86 G87 V88 I93 L94 I129I86-R90 VanDerWaalsContact O-CB 3.26Å; I86-R90 WeakPolarHBondContact O-CB 3.47Å; I86-R90 PolarHBondContact O-N 2.88Å; G87-R90 PolarHBondContact O-N 3.13Å; V88-R90 VanDerWaalsContact C-N 3.25Å; V88-R90 PolarHBondContact O-N 3.09Å; R90-I93 PolarHBondContact O-N 3.36Å; R90-L94 HydrophobicContact CG-CD1 3.96Å; R90-L94 HydrophobicContact CG-CG 4.36Å; R90-L94 VanDerWaalsContact O-CG 3.28Å; R90-L94 WeakPolarHBondContact O-CG 3.45Å; R90-L94 PolarHBondContact O-N 3.42Å; R90-I129 HydrophobicContact CB-CD1 4.47Å; R90-I129 HydrophobicContact CG-CD1 3.93Å
91E87.2Confident78.1Confident103 Ų10371.8 Ų71.848%0.48138%0.382SS..Hα-helixtrans-66.7-37-176.3-70.7-49130.800112.4G87 V88 L94 T95G87-E91 WeakPolarHBondContact O-CB 3.32Å; G87-E91 WeakPolarHBondContact O-CG 3.45Å; G87-E91 PolarHBondContact O-N 2.97Å; V88-E91 PolarHBondContact O-N 3.1Å; E91-L94 PolarHBondContact O-N 2.92Å; E91-T95 WeakPolarHBondContact O-CB 3.44Å; E91-T95 PolarHBondContact O-N 3.32Å; E91-T95 PolarHBondContact O-OG1 3.11Å
92Q89.3Confident77.4Confident70 Ų7076.2 Ų76.233%0.32740%0.4SS..Hα-helixtrans-62-46.6173.8-73.7171.4-24.500111.6L78 V88 L94 T95 F96L78-Q92 HydrophobicContact CD1-CB 4.35Å; V88-Q92 HydrophobicContact CG1-CG 4.48Å; V88-Q92 WeakPolarHBondContact O-CB 3.35Å; V88-Q92 WeakPolarHBondContact O-CG 3.4Å; V88-Q92 PolarHBondContact O-N 3.29Å; Q92-L94 PolarHBondContact O-N 2.99Å; Q92-T95 PolarHBondContact O-N 2.93Å; Q92-F96 VanDerWaalsContact O-CB 3.29Å; Q92-F96 WeakPolarHBondContact O-CB 3.45Å; Q92-F96 PolarHBondContact O-N 3.36Å
93I89.5Confident77.1Confident1 Ų179.2 Ų79.21%0.00541%0.408CS..Hα-helixtrans-63.3-42.8177-65.5168.7000110.7L76 L78 V89 R90 F96 A97 V110 L126 I129 F139L76-I93 HydrophobicContact CD2-CG1 4.23Å; L78-I93 HydrophobicContact CD1-CD1 4.13Å; L78-I93 HydrophobicContact CD1-CG1 3.69Å; V89-I93 HydrophobicContact CG1-CD1 3.76Å; V89-I93 WeakPolarHBondContact O-CB 3.24Å; V89-I93 WeakPolarHBondContact O-CD1 3.33Å; V89-I93 WeakPolarHBondContact O-CG1 3.44Å; V89-I93 PolarHBondContact O-N 3.42Å; V89-I93 VanDerWaalsContact O-N 3.08Å; R90-I93 PolarHBondContact O-N 3.36Å; I93-F96 PolarHBondContact O-N 3.45Å; I93-A97 WeakPolarHBondContact O-CB 3.42Å; I93-A97 PolarHBondContact O-N 3.21Å; I93-V110 HydrophobicContact CD1-CG1 4.3Å; I93-V110 HydrophobicContact CG1-CG1 4.11Å; I93-L126 HydrophobicContact CD1-CD1 4.09Å; I93-I129 HydrophobicContact CG2-CG2 3.62Å; I93-F139 HydrophobicContact CG2-CE1 3.78Å; I93-F139 HydrophobicContact CG2-CZ 3.89Å
94L89.7Confident77.3Confident36 Ų3678.6 Ų78.619%0.18841%0.407CS..Hα-helixtrans-62.8-44.8178.5-72.3178.8000112.1R90 E91 Q92 A97 S98 I129 F133R90-L94 HydrophobicContact CG-CD1 3.96Å; R90-L94 HydrophobicContact CG-CG 4.36Å; R90-L94 VanDerWaalsContact O-CG 3.28Å; R90-L94 WeakPolarHBondContact O-CG 3.45Å; R90-L94 PolarHBondContact O-N 3.42Å; E91-L94 PolarHBondContact O-N 2.92Å; Q92-L94 PolarHBondContact O-N 2.99Å; L94-A97 PolarHBondContact O-N 3.48Å; L94-S98 WeakPolarHBondContact O-CB 3.26Å; L94-S98 PolarHBondContact O-N 2.83Å; L94-S98 PolarHBondContact O-OG 2.91Å; L94-I129 HydrophobicContact CD2-CG1 4.34Å; L94-F133 HydrophobicContact CD2-CE2 3.55Å; L94-F133 HydrophobicContact CD2-CZ 3.94Å
95T91.2Very high78Confident85 Ų8578.2 Ų78.252%0.52141%0.411SS..Hα-helixtrans-61.6-45.9177.4-57.20000110.7E91 Q92 S98 T99E91-T95 WeakPolarHBondContact O-CB 3.44Å; E91-T95 PolarHBondContact O-N 3.32Å; E91-T95 PolarHBondContact O-OG1 3.11Å; Q92-T95 PolarHBondContact O-N 2.93Å; T95-S98 PolarHBondContact O-OG 3.18Å; T95-S98 VanDerWaalsContact O-OG 3.09Å; T95-T99 PolarHBondContact O-N 3.08Å; T95-T99 PolarHBondContact O-OG1 3.44Å
96F91.6Very high78.8Confident24 Ų2480.3 Ų80.311%0.10541%0.407CS..Hα-helixtrans-66.7-44.4179.4178.6-104.4000112.8S73 L76 Q92 I93 K108 V110S73-F96 WeakPolarHBondContact O-CE2 3.26Å; L76-F96 HydrophobicContact CB-CD1 3.7Å; L76-F96 HydrophobicContact CB-CD2 3.89Å; L76-F96 HydrophobicContact CB-CE1 3.65Å; L76-F96 HydrophobicContact CB-CE2 3.86Å; L76-F96 HydrophobicContact CB-CG 3.79Å; L76-F96 HydrophobicContact CB-CZ 3.72Å; L76-F96 HydrophobicContact CD2-CB 3.66Å; L76-F96 HydrophobicContact CD2-CD1 3.94Å; L76-F96 HydrophobicContact CD2-CD2 4.48Å; L76-F96 HydrophobicContact CD2-CG 3.79Å; L76-F96 HydrophobicContact CG-CD1 4.47Å; L76-F96 HydrophobicContact CG-CG 4.34Å; Q92-F96 VanDerWaalsContact O-CB 3.29Å; Q92-F96 WeakPolarHBondContact O-CB 3.45Å; Q92-F96 PolarHBondContact O-N 3.36Å; I93-F96 PolarHBondContact O-N 3.45Å; F96-K108 HydrophobicContact CD1-CD 4.26Å; F96-K108 HydrophobicContact CE1-CB 3.68Å; F96-K108 HydrophobicContact CE1-CD 3.84Å; F96-K108 HydrophobicContact CE1-CG 4.36Å; F96-K108 HydrophobicContact CE2-CD 4.19Å; F96-K108 HydrophobicContact CZ-CB 3.88Å; F96-K108 HydrophobicContact CZ-CD 3.8Å; F96-K108 HydrophobicContact CZ-CG 4.27Å; F96-K108 PolarHBondContact O-NZ 3.48Å; F96-V110 HydrophobicContact CD1-CG2 3.69Å; F96-V110 HydrophobicContact CE1-CG2 3.72Å
97A87.3Confident80Confident1 Ų177.9 Ų77.91%0.00839%0.394CS..Hα-helixtrans-71.3-28.8-178.100000113.5I93 L94 F133 N136 V137I93-A97 WeakPolarHBondContact O-CB 3.42Å; I93-A97 PolarHBondContact O-N 3.21Å; L94-A97 PolarHBondContact O-N 3.48Å; A97-F133 HydrophobicContact CB-CB 4.29Å; A97-F133 HydrophobicContact CB-CD1 3.65Å; A97-F133 HydrophobicContact CB-CD2 3.98Å; A97-F133 HydrophobicContact CB-CE1 3.83Å; A97-F133 HydrophobicContact CB-CE2 4.18Å; A97-F133 HydrophobicContact CB-CG 3.71Å; A97-F133 HydrophobicContact CB-CZ 4.09Å; A97-N136 PolarHBondContact O-ND2 2.68Å; A97-N136 VanDerWaalsContact O-ND2 3.15Å; A97-V137 HydrophobicContact CB-CG2 3.78Å
98S85.3Confident81Confident76 Ų7676 Ų7653%0.53137%0.373SS..Hα-helixtrans-82.3-22.1179.957.90000113.9L94 T95 K100L94-S98 WeakPolarHBondContact O-CB 3.26Å; L94-S98 PolarHBondContact O-N 2.83Å; L94-S98 PolarHBondContact O-OG 2.91Å; T95-S98 PolarHBondContact O-OG 3.18Å; T95-S98 VanDerWaalsContact O-OG 3.09Å; S98-K100 PolarHBondContact O-N 3.44Å; S98-K100 VanDerWaalsContact O-N 3.11Å
99T83.1Confident81.8Confident78 Ų7873.2 Ų73.248%0.47936%0.356SS..SBendtrans-67.1110.4178.8-59.80000110.4T95 K108T95-T99 PolarHBondContact O-N 3.08Å; T95-T99 PolarHBondContact O-OG1 3.44Å; T99-K108 WeakPolarHBondContact O-CE 3.34Å; T99-K108 PolarHBondContact O-NZ 2.97Å
100K70Confident82.6Confident194 Ų19472.7 Ų72.784%0.84335%0.353SS*.  trans-68.5132.5177.2-71-175.6179.3179.20110.7S98S98-K100 PolarHBondContact O-N 3.44Å; S98-K100 VanDerWaalsContact O-N 3.11Å
101N67Low83.3Confident52 Ų5267.5 Ų67.528%0.27833%0.333SS..  trans-87.2119.7173.6-69.5-18.3000110.1M74 F103 K108M74-N101 PolarHBondContact SD-ND2 3.38Å; N101-F103 VanDerWaalsContact C-N 3.33Å; N101-K108 VanDerWaalsContact CG-CE 3.48Å; N101-K108 VanDerWaalsContact ND2-CE 3.26Å; N101-K108 WeakPolarHBondContact ND2-CE 3.34Å; N101-K108 WeakPolarHBondContact OD1-CE 3.28Å; N101-K108 PolarHBondContact OD1-NZ 2.99Å
102I60.5Low83.7Confident150 Ų15062.6 Ų62.677%0.76931%0.311SS*.SBendtrans-75.1-28.5175.3-58174.1000110.6
103F63.4Low84Confident181 Ų18160.8 Ų60.879%0.79430%0.303SS*.SBendtrans-111.1-1-164.3-59.5-74.1000115.8N101N101-F103 VanDerWaalsContact C-N 3.33Å
104S67.9Low84.2Confident28 Ų2864.1 Ų64.120%0.19632%0.319CS..  trans-146.2127.8-177.4-175.50000112.4K106S104-K106 WeakPolarHBondContact OG-CB 3.3Å; S104-K106 PolarHBondContact OG-N 2.72Å; S104-K106 VanDerWaalsContact OG-N 3.16Å
105K73Confident84.4Confident221 Ų22162.5 Ų62.596%0.96131%0.31SS*.  trans-80.10.3169.1-66.4-172.1-179.2-1790112.8
106K82.5Confident84.5Confident90 Ų9059.2 Ų59.239%0.39129%0.29SS..SBendtrans-75.4149178-62.1-179.4174178.10110.3L65 Y66 M74 S104L65-K106 PolarHBondContact O-NZ 2.77Å; Y66-K106 HydrophobicContact CD1-CD 4.36Å; Y66-K106 HydrophobicContact CE1-CB 4.22Å; Y66-K106 HydrophobicContact CE1-CD 4.39Å; M74-K106 HydrophobicContact CE-CB 4.16Å; S104-K106 WeakPolarHBondContact OG-CB 3.3Å; S104-K106 PolarHBondContact OG-N 2.72Å; S104-K106 VanDerWaalsContact OG-N 3.16Å
107F90.2Very high84.5Confident19 Ų1961.5 Ų61.58%0.08331%0.309CS..PPolyproline II helixtrans-63.5153.4168.958.4-95.5000110.4N39 L41 L65 Y66 M74 N136 R138N39-F107 WeakPolarHBondContact OD1-CE1 3.34Å; L41-F107 HydrophobicContact CB-CE1 4.27Å; L41-F107 HydrophobicContact CB-CZ 3.81Å; L41-F107 HydrophobicContact CD2-CE2 4.03Å; L41-F107 HydrophobicContact CD2-CZ 3.87Å; L41-F107 HydrophobicContact CG-CZ 4.5Å; L65-F107 HydrophobicContact CD1-CE2 4.21Å; L65-F107 HydrophobicContact CD1-CZ 4.03Å; L65-F107 HydrophobicContact CD2-CZ 4.38Å; Y66-F107 VanDerWaalsContact CE1-O 3.32Å; Y66-F107 WeakPolarHBondContact CE1-O 3.48Å; Y66-F107 VanDerWaalsContact OH-CD2 3.26Å; Y66-F107 WeakPolarHBondContact OH-CD2 3.26Å; Y66-F107 VanDerWaalsContact OH-CE2 3.26Å; Y66-F107 WeakPolarHBondContact OH-CE2 3.42Å; Y66-F107 PolarHBondContact OH-O 2.85Å; M74-F107 WeakPolarHBondContact CE-O 3.36Å; F107-N136 CarbonylContact C-O 3.58Å; F107-N136 VanDerWaalsContact CA-O 3.29Å; F107-N136 WeakPolarHBondContact CA-O 3.41Å; F107-R138 HydrophobicContact CB-CG 4.19Å; F107-R138 HydrophobicContact CD1-CG 4.25Å; F107-R138 HydrophobicContact CD2-CB 3.71Å; F107-R138 HydrophobicContact CD2-CG 3.29Å; F107-R138 HydrophobicContact CE2-CB 3.94Å; F107-R138 HydrophobicContact CE2-CG 3.63Å; F107-R138 HydrophobicContact CG-CG 3.65Å; F107-R138 HydrophobicContact CZ-CG 4.24Å
108K93.6Very high84.7Confident7 Ų762.7 Ų62.73%0.0331%0.314CS..EExtended strand (participates in β ladder)trans-84.3157.2167-62.5-173.3179.7-170.90110.7M74 F96 T99 N101 N136 V137 R138M74-K108 HydrophobicContact CE-CG 4.08Å; M74-K108 CarbonylContact O-C 3.57Å; M74-K108 WeakPolarHBondContact O-CA 3.46Å; M74-K108 HydrophobicContact SD-CG 4.35Å; F96-K108 HydrophobicContact CD1-CD 4.26Å; F96-K108 HydrophobicContact CE1-CB 3.68Å; F96-K108 HydrophobicContact CE1-CD 3.84Å; F96-K108 HydrophobicContact CE1-CG 4.36Å; F96-K108 HydrophobicContact CE2-CD 4.19Å; F96-K108 HydrophobicContact CZ-CB 3.88Å; F96-K108 HydrophobicContact CZ-CD 3.8Å; F96-K108 HydrophobicContact CZ-CG 4.27Å; F96-K108 PolarHBondContact O-NZ 3.48Å; T99-K108 WeakPolarHBondContact O-CE 3.34Å; T99-K108 PolarHBondContact O-NZ 2.97Å; N101-K108 VanDerWaalsContact CG-CE 3.48Å; N101-K108 VanDerWaalsContact ND2-CE 3.26Å; N101-K108 WeakPolarHBondContact ND2-CE 3.34Å; N101-K108 WeakPolarHBondContact OD1-CE 3.28Å; N101-K108 PolarHBondContact OD1-NZ 2.99Å; K108-N136 PolarHBondContact N-O 3.33Å; K108-V137 HydrophobicContact CB-CG2 4.35Å; K108-V137 CarbonylContact O-C 3.53Å; K108-V137 WeakPolarHBondContact O-CA 3.37Å; K108-R138 PolarHBondContact O-N 3.23Å
109L95.2Very high84.9Confident1 Ų162.5 Ų62.51%0.00531%0.31CS..EExtended strand (participates in β ladder)trans-117.1127.8178.2-177.563.6000110.4I58 A62 Y66 M74 V75 L76 I111 R138 C140I58-L109 HydrophobicContact CD1-CD2 4.15Å; I58-L109 HydrophobicContact CG1-CD2 4.27Å; A62-L109 HydrophobicContact CB-CD2 3.78Å; Y66-L109 HydrophobicContact CE2-CB 3.89Å; Y66-L109 HydrophobicContact CE2-CD2 4.4Å; M74-L109 PolarHBondContact O-N 2.8Å; V75-L109 CarbonylContact C-O 3.51Å; V75-L109 VanDerWaalsContact CA-O 3.29Å; V75-L109 WeakPolarHBondContact CA-O 3.33Å; V75-L109 HydrophobicContact CG2-CB 4.48Å; L76-L109 PolarHBondContact N-O 3.48Å; L109-I111 HydrophobicContact CD2-CD1 4.07Å; L109-I111 HydrophobicContact CD2-CG1 4.06Å; L109-I111 HydrophobicContact CG-CG1 4Å; L109-R138 CarbonylContact C-O 3.52Å; L109-R138 WeakPolarHBondContact CA-O 3.44Å; L109-R138 HydrophobicContact CD1-CB 4.2Å; L109-C140 HydrophobicContact CD1-CB 4.46Å
110V95.8Very high85.3Confident0 Ų068 Ų680%032%0.322CS..EExtended strand (participates in β ladder)trans-108.8123.1168.2177.10000107.8L76 I93 F96 V137 R138 F139 C140L76-V110 HydrophobicContact CB-CG2 4.36Å; L76-V110 HydrophobicContact CD2-CG2 4.42Å; L76-V110 CarbonylContact O-C 3.55Å; L76-V110 WeakPolarHBondContact O-CA 3.05Å; I93-V110 HydrophobicContact CD1-CG1 4.3Å; I93-V110 HydrophobicContact CG1-CG1 4.11Å; F96-V110 HydrophobicContact CD1-CG2 3.69Å; F96-V110 HydrophobicContact CE1-CG2 3.72Å; V110-V137 HydrophobicContact CB-CG1 4.46Å; V110-V137 HydrophobicContact CG2-CG1 3.67Å; V110-R138 PolarHBondContact N-O 2.9Å; V110-F139 HydrophobicContact CB-CD1 3.73Å; V110-F139 HydrophobicContact CB-CE1 3.82Å; V110-F139 HydrophobicContact CB-CG 4.42Å; V110-F139 HydrophobicContact CG1-CD1 3.88Å; V110-F139 HydrophobicContact CG1-CE1 3.89Å; V110-F139 HydrophobicContact CG2-CD1 4.4Å; V110-F139 HydrophobicContact CG2-CE1 4.02Å; V110-F139 HydrophobicContact CG2-CZ 4.39Å; V110-F139 CarbonylContact O-C 3.57Å; V110-F139 WeakPolarHBondContact O-CA 3.39Å; V110-C140 PolarHBondContact O-N 2.77Å
111I97Very high86.3Confident0 Ų064.2 Ų64.20%031%0.311CS..EExtended strand (participates in β ladder)trans-108.2120.5175.3-55.7172.3000106.9I58 L59 V75 L76 E77 L78 L109 C140 I142I58-I111 HydrophobicContact CB-CD1 4.48Å; I58-I111 HydrophobicContact CG1-CD1 3.78Å; I58-I111 HydrophobicContact CG1-CG1 3.88Å; I58-I111 HydrophobicContact CG2-CD1 4Å; I58-I111 HydrophobicContact CG2-CG1 4.41Å; I58-I111 HydrophobicContact CG2-CG2 3.87Å; L59-I111 HydrophobicContact CD2-CD1 3.92Å; V75-I111 HydrophobicContact CG1-CD1 3.88Å; V75-I111 HydrophobicContact CG1-CG1 4.43Å; L76-I111 PolarHBondContact O-N 2.83Å; E77-I111 WeakPolarHBondContact CA-O 3.08Å; L78-I111 PolarHBondContact N-O 3.25Å; L109-I111 HydrophobicContact CD2-CD1 4.07Å; L109-I111 HydrophobicContact CD2-CG1 4.06Å; L109-I111 HydrophobicContact CG-CG1 4Å; I111-C140 WeakPolarHBondContact CA-O 3.47Å; I111-I142 HydrophobicContact CG2-CD1 3.89Å
112L95.2Very high87.3Confident1 Ų162 Ų621%0.00530%0.3CS..EExtended strand (participates in β ladder)trans-116.6103177.6-171.164.5000108.7L78 A80 V89 A115 M118 L126 C140 L141 I142L78-L112 HydrophobicContact CB-CD1 3.72Å; L78-L112 WeakPolarHBondContact O-CA 3.32Å; A80-L112 HydrophobicContact CB-CD1 4.01Å; A80-L112 HydrophobicContact CB-CG 4.26Å; V89-L112 HydrophobicContact CG1-CD1 4Å; L112-A115 HydrophobicContact CD2-CB 4.34Å; L112-A115 HydrophobicContact CG-CB 4.42Å; L112-M118 HydrophobicContact CD2-CE 4.28Å; L112-M118 HydrophobicContact CD2-SD 3.44Å; L112-M118 WeakPolarHBondContact CD2-SD 3.37Å; L112-L126 HydrophobicContact CD2-CD2 3.76Å; L112-C140 PolarHBondContact N-O 2.85Å; L112-L141 HydrophobicContact CB-CD2 3.81Å; L112-L141 HydrophobicContact CD2-CD2 4.01Å; L112-I142 PolarHBondContact O-N 3.37Å
113D94.6Very high88.9Confident32 Ų3255 Ų5517%0.17126%0.264CS..EExtended strand (participates in β ladder)trans-81.1152.8175.7-145.5-16.1000111.2T55 L78 A80 A115 I142T55-D113 WeakPolarHBondContact CG2-OD2 3.41Å; T55-D113 PolarHBondContact OG1-OD2 2.86Å; L78-D113 PolarHBondContact O-N 3.14Å; A80-D113 VanDerWaalsContact CB-O 3.32Å; A80-D113 WeakPolarHBondContact CB-O 3.33Å; A80-D113 PolarHBondContact N-O 2.78Å; D113-A115 VanDerWaalsContact C-N 3.27Å; D113-A115 PolarHBondContact O-N 3.47Å; D113-I142 HydrophobicContact CB-CD1 4.44Å; D113-I142 WeakPolarHBondContact OD1-CB 3.35Å; D113-I142 VanDerWaalsContact OD1-CG2 3.26Å; D113-I142 WeakPolarHBondContact OD1-CG2 3.45Å
114E93.8Very high90.3Very high70 Ų7049.1 Ų49.133%0.32724%0.241SC..THydrogen-bonded Turntrans52.639.1-177.2-54.2-168.4165.400114.2S81 D116 S117 I142S81-E114 WeakPolarHBondContact CB-OE2 3.44Å; S81-E114 PolarHBondContact OG-OE2 3.3Å; E114-D116 PolarHBondContact O-N 3.28Å; E114-S117 VanDerWaalsContact O-CB 3.24Å; E114-S117 WeakPolarHBondContact O-CB 3.46Å; E114-S117 PolarHBondContact O-N 2.89Å; E114-S117 PolarHBondContact O-OG 3.24Å; E114-I142 PolarHBondContact N-O 3.01Å
115A94Very high91.4Very high2 Ų248.1 Ų48.12%0.01723%0.234CC..G310 helixtrans-59.9-18.6-178.100000113.7L112 D113 S117 M118 L141 I142 I149L112-A115 HydrophobicContact CD2-CB 4.34Å; L112-A115 HydrophobicContact CG-CB 4.42Å; D113-A115 VanDerWaalsContact C-N 3.27Å; D113-A115 PolarHBondContact O-N 3.47Å; A115-S117 VanDerWaalsContact C-N 3.26Å; A115-S117 PolarHBondContact O-N 3.08Å; A115-M118 HydrophobicContact CB-SD 4.5Å; A115-M118 WeakPolarHBondContact O-CB 3.41Å; A115-M118 WeakPolarHBondContact O-CG 3.45Å; A115-M118 PolarHBondContact O-N 3.19Å; A115-L141 HydrophobicContact CB-CB 4.24Å; A115-I142 WeakPolarHBondContact CB-O 3.39Å; A115-I142 PolarHBondContact N-O 3.15Å; A115-I149 HydrophobicContact CB-CD1 4.1Å
116D93.9Very high92.3Very high16 Ų1637.8 Ų37.89%0.08619%0.19CC..G310 helixtrans-75.3-9.2172.553.4-30.2000114.6E114 M118 C143 N144 Y145 K148 I149E114-D116 PolarHBondContact O-N 3.28Å; D116-M118 VanDerWaalsContact C-N 3.33Å; D116-C143 HydrophobicContact CB-CB 3.73Å; D116-C143 WeakPolarHBondContact OD1-CA 3.41Å; D116-C143 WeakPolarHBondContact OD1-CB 3.35Å; D116-N144 PolarHBondContact OD1-N 3.04Å; D116-N144 PolarHBondContact OD2-N 3.1Å; D116-N144 VanDerWaalsContact OD2-N 3.09Å; D116-Y145 WeakPolarHBondContact OD2-CD2 3.34Å; D116-Y145 PolarHBondContact OD2-N 3.12Å; D116-K148 HydrophobicContact CB-CB 3.66Å; D116-K148 HydrophobicContact CB-CD 3.95Å; D116-K148 HydrophobicContact CB-CG 4.4Å; D116-I149 HydrophobicContact CB-CD1 4.17Å
117S92Very high92.9Very high72 Ų7237.5 Ų37.550%0.50319%0.186SC..G310 helixtrans-82.4-11169.1-59.90000112.6E114 A115E114-S117 VanDerWaalsContact O-CB 3.24Å; E114-S117 WeakPolarHBondContact O-CB 3.46Å; E114-S117 PolarHBondContact O-N 2.89Å; E114-S117 PolarHBondContact O-OG 3.24Å; A115-S117 VanDerWaalsContact C-N 3.26Å; A115-S117 PolarHBondContact O-N 3.08Å
118M90.4Very high93.1Very high26 Ų2643 Ų4313%0.12821%0.206CC..SBendtrans-73.2140.4178-65-178.877.900112.6A80 L112 A115 D116 A122 Q123 L126A80-M118 HydrophobicContact CB-CG 3.7Å; A80-M118 HydrophobicContact CB-SD 4.45Å; L112-M118 HydrophobicContact CD2-CE 4.28Å; L112-M118 HydrophobicContact CD2-SD 3.44Å; L112-M118 WeakPolarHBondContact CD2-SD 3.37Å; A115-M118 HydrophobicContact CB-SD 4.5Å; A115-M118 WeakPolarHBondContact O-CB 3.41Å; A115-M118 WeakPolarHBondContact O-CG 3.45Å; A115-M118 PolarHBondContact O-N 3.19Å; D116-M118 VanDerWaalsContact C-N 3.33Å; M118-A122 HydrophobicContact CB-CB 4.16Å; M118-A122 HydrophobicContact CE-CB 3.55Å; M118-Q123 HydrophobicContact CB-CG 3.78Å; M118-Q123 PolarHBondContact O-NE2 2.96Å; M118-Q123 HydrophobicContact SD-CG 4.33Å; M118-L126 HydrophobicContact CE-CB 4.34Å; M118-L126 HydrophobicContact CE-CD2 4.19Å; M118-L126 HydrophobicContact SD-CD2 4.06Å
119T89.9Confident93.1Very high73 Ų7343.1 Ų43.145%0.44821%0.207SC..  trans-63.8159.217075.70000111.6I86 D121 A122 Q123I86-T119 HydrophobicContact CD1-CG2 4.33Å; I86-T119 WeakPolarHBondContact CD1-OG1 3.38Å; T119-D121 VanDerWaalsContact C-N 3.27Å; T119-D121 PolarHBondContact O-N 3.03Å; T119-A122 WeakPolarHBondContact O-CB 3.45Å; T119-A122 PolarHBondContact O-N 3.44Å; T119-A122 VanDerWaalsContact O-N 3.14Å; T119-A122 WeakPolarHBondContact OG1-CB 2.92Å; T119-A122 PolarHBondContact OG1-N 2.79Å; T119-Q123 PolarHBondContact O-N 2.88Å
120R90.9Very high93Very high193 Ų19343.1 Ų43.173%0.72821%0.207SC*.Hα-helixtrans-58.6-37.9177.3-70.5-174.1174.7-134.1-0.6112.7A122 Q123 N124 I150R120-A122 VanDerWaalsContact C-N 3.35Å; R120-Q123 PolarHBondContact O-N 3.17Å; R120-N124 WeakPolarHBondContact O-CB 3.39Å; R120-N124 PolarHBondContact O-N 3.38Å; R120-N124 PolarHBondContact O-ND2 3.3Å; R120-I150 HydrophobicContact CG-CG2 4.34Å
121D90.5Very high93Very high115 Ų11546.8 Ų46.862%0.61522%0.224SC*.Hα-helixtrans-66.4-38.7177.8-67.7-22.7000112.1I86 T119 N124 A125I86-D121 HydrophobicContact CD1-CB 4.37Å; T119-D121 VanDerWaalsContact C-N 3.27Å; T119-D121 PolarHBondContact O-N 3.03Å; D121-N124 PolarHBondContact O-N 2.66Å; D121-A125 PolarHBondContact O-N 3.12Å
122A89.7Confident92.9Very high5 Ų554 Ų544%0.04126%0.256CS..Hα-helixtrans-63-45.4174.900000111.3I86 M118 T119 R120 N124 A125 L126I86-A122 HydrophobicContact CB-CB 4.12Å; I86-A122 HydrophobicContact CD1-CB 3.89Å; I86-A122 HydrophobicContact CG1-CB 3.69Å; I86-A122 HydrophobicContact CG2-CB 3.56Å; M118-A122 HydrophobicContact CB-CB 4.16Å; M118-A122 HydrophobicContact CE-CB 3.55Å; T119-A122 WeakPolarHBondContact O-CB 3.45Å; T119-A122 PolarHBondContact O-N 3.44Å; T119-A122 VanDerWaalsContact O-N 3.14Å; T119-A122 WeakPolarHBondContact OG1-CB 2.92Å; T119-A122 PolarHBondContact OG1-N 2.79Å; R120-A122 VanDerWaalsContact C-N 3.35Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-N124 PolarHBondContact O-N 2.97Å; A122-A125 PolarHBondContact O-N 3.49Å; A122-L126 WeakPolarHBondContact O-CB 3.32Å; A122-L126 PolarHBondContact O-N 3.32Å
123Q93Very high92.8Very high4 Ų455 Ų552%0.01926%0.26CS..Hα-helixtrans-65.9-36176.6-64.5-173.833.900112.1M118 T119 R120 L126 R127 K148 I149 I150 V153M118-Q123 HydrophobicContact CB-CG 3.78Å; M118-Q123 PolarHBondContact O-NE2 2.96Å; M118-Q123 HydrophobicContact SD-CG 4.33Å; T119-Q123 PolarHBondContact O-N 2.88Å; R120-Q123 PolarHBondContact O-N 3.17Å; Q123-L126 PolarHBondContact O-N 3.3Å; Q123-R127 WeakPolarHBondContact O-CB 3.25Å; Q123-R127 PolarHBondContact O-N 3.4Å; Q123-K148 PolarHBondContact NE2-O 3.23Å; Q123-I149 VanDerWaalsContact OE1-CA 3.29Å; Q123-I150 HydrophobicContact CB-CD1 3.77Å; Q123-I150 HydrophobicContact CB-CG1 3.91Å; Q123-I150 HydrophobicContact CB-CG2 4.38Å; Q123-V153 HydrophobicContact CB-CG2 4.42Å; Q123-V153 WeakPolarHBondContact O-CG2 3.26Å
124N93.1Very high92.7Very high56 Ų5655.8 Ų55.830%0.29927%0.266SS..Hα-helixtrans-64.7-38.3172.8-82.2-49.5000112.4R120 D121 A122 R128 I150R120-N124 WeakPolarHBondContact O-CB 3.39Å; R120-N124 PolarHBondContact O-N 3.38Å; R120-N124 PolarHBondContact O-ND2 3.3Å; D121-N124 PolarHBondContact O-N 2.66Å; A122-N124 VanDerWaalsContact C-N 3.34Å; A122-N124 PolarHBondContact O-N 2.97Å; N124-R128 PolarHBondContact O-N 3.5Å; N124-R128 PolarHBondContact O-NH1 3.32Å; N124-I150 HydrophobicContact CB-CD1 4.48Å; N124-I150 WeakPolarHBondContact OD1-CD1 3.48Å
125A90.8Very high92.5Very high7 Ų759.8 Ų59.86%0.05829%0.289CS..Hα-helixtrans-66.3-46.4172.500000111.4D121 A122 R127 R128 I129D121-A125 PolarHBondContact O-N 3.12Å; A122-A125 PolarHBondContact O-N 3.49Å; A125-R127 VanDerWaalsContact C-N 3.31Å; A125-R127 PolarHBondContact O-N 3.21Å; A125-R128 WeakPolarHBondContact O-CB 3.42Å; A125-R128 PolarHBondContact O-N 3.3Å; A125-R128 VanDerWaalsContact O-N 3.1Å; A125-I129 WeakPolarHBondContact O-CG1 3.48Å; A125-I129 PolarHBondContact O-N 3.49Å; A125-I129 VanDerWaalsContact O-N 3.14Å
126L92.3Very high92.3Very high5 Ų562.9 Ų62.93%0.02631%0.306CS..Hα-helixtrans-57.3-42.8176.6179.962.9000111.7I93 L112 M118 A122 Q123 R128 I129 I130 F139 L141I93-L126 HydrophobicContact CD1-CD1 4.09Å; L112-L126 HydrophobicContact CD2-CD2 3.76Å; M118-L126 HydrophobicContact CE-CB 4.34Å; M118-L126 HydrophobicContact CE-CD2 4.19Å; M118-L126 HydrophobicContact SD-CD2 4.06Å; A122-L126 WeakPolarHBondContact O-CB 3.32Å; A122-L126 PolarHBondContact O-N 3.32Å; Q123-L126 PolarHBondContact O-N 3.3Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 2.86Å; L126-I129 WeakPolarHBondContact O-CA 3.45Å; L126-I129 WeakPolarHBondContact O-CB 3.12Å; L126-I129 PolarHBondContact O-N 3.13Å; L126-I130 HydrophobicContact CD1-CD1 4.43Å; L126-I130 HydrophobicContact CD1-CG1 4.36Å; L126-I130 HydrophobicContact CG-CD1 3.99Å; L126-I130 HydrophobicContact CG-CG1 4.37Å; L126-I130 WeakPolarHBondContact O-CG1 3.48Å; L126-I130 PolarHBondContact O-N 3.43Å; L126-F139 HydrophobicContact CD1-CD1 4.33Å; L126-F139 HydrophobicContact CD1-CE1 4.14Å; L126-L141 HydrophobicContact CD2-CD1 4.11Å; L126-L141 HydrophobicContact CD2-CD2 3.92Å
127R94.4Very high92.3Very high83 Ų8362.1 Ų62.131%0.31330%0.302SS..Hα-helixtrans-51.5-48.1173.8178.5-143.5155.3-178-9.4111.9Q123 A125 I129 I130 E131 P152 V153Q123-R127 WeakPolarHBondContact O-CB 3.25Å; Q123-R127 PolarHBondContact O-N 3.4Å; A125-R127 VanDerWaalsContact C-N 3.31Å; A125-R127 PolarHBondContact O-N 3.21Å; R127-I129 VanDerWaalsContact C-N 3.3Å; R127-I129 PolarHBondContact O-N 3Å; R127-I130 PolarHBondContact O-N 3.31Å; R127-E131 IonicContact CZ-OE1 3.38Å; R127-E131 IonicContact NE-OE1 2.87Å; R127-E131 PolarHBondContact NE-OE1 2.86Å; R127-E131 IonicContact NH2-OE1 3.77Å; R127-E131 PolarHBondContact NH2-OE1 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.46Å; R127-E131 PolarHBondContact O-N 3.43Å; R127-E131 VanDerWaalsContact O-N 3.14Å; R127-P152 HydrophobicContact CG-CB 4.06Å; R127-V153 HydrophobicContact CB-CG2 3.89Å
128R94.5Very high92.5Very high134 Ų13461.2 Ų61.251%0.50629%0.287SS..Hα-helixtrans-64.8-35.5178.8-66.2-172.8-67.2-93.44.4111.9N124 A125 L126 K132N124-R128 PolarHBondContact O-N 3.5Å; N124-R128 PolarHBondContact O-NH1 3.32Å; A125-R128 WeakPolarHBondContact O-CB 3.42Å; A125-R128 PolarHBondContact O-N 3.3Å; A125-R128 VanDerWaalsContact O-N 3.1Å; L126-R128 VanDerWaalsContact C-N 3.31Å; L126-R128 PolarHBondContact O-N 2.86Å; R128-K132 WeakPolarHBondContact O-CB 3.25Å; R128-K132 PolarHBondContact O-N 3.08Å
129I93.4Very high92.8Very high10 Ų1060 Ų605%0.05128%0.281CS..Hα-helixtrans-68.2-44.8177.3-63.5169.9000110.5R90 I93 L94 A125 L126 R127 E131 K132 F133 F139R90-I129 HydrophobicContact CB-CD1 4.47Å; R90-I129 HydrophobicContact CG-CD1 3.93Å; I93-I129 HydrophobicContact CG2-CG2 3.62Å; L94-I129 HydrophobicContact CD2-CG1 4.34Å; A125-I129 WeakPolarHBondContact O-CG1 3.48Å; A125-I129 PolarHBondContact O-N 3.49Å; A125-I129 VanDerWaalsContact O-N 3.14Å; L126-I129 WeakPolarHBondContact O-CA 3.45Å; L126-I129 WeakPolarHBondContact O-CB 3.12Å; L126-I129 PolarHBondContact O-N 3.13Å; R127-I129 VanDerWaalsContact C-N 3.3Å; R127-I129 PolarHBondContact O-N 3Å; I129-E131 VanDerWaalsContact C-N 3.31Å; I129-E131 PolarHBondContact O-N 3.43Å; I129-K132 PolarHBondContact O-N 3.41Å; I129-F133 HydrophobicContact CG2-CD2 3.72Å; I129-F133 HydrophobicContact CG2-CE2 4.09Å; I129-F133 WeakPolarHBondContact O-CD2 3.4Å; I129-F133 PolarHBondContact O-N 2.94Å; I129-F139 HydrophobicContact CG2-CE1 4.45Å; I129-F139 HydrophobicContact CG2-CZ 3.87Å
130I94.8Very high93.2Very high1 Ų156.6 Ų56.61%0.00526%0.26CS..Hα-helixtrans-55.7-47.1175.8-68.6168.5000110.4L126 R127 T134 F139 L141 V153 R156L126-I130 HydrophobicContact CD1-CD1 4.43Å; L126-I130 HydrophobicContact CD1-CG1 4.36Å; L126-I130 HydrophobicContact CG-CD1 3.99Å; L126-I130 HydrophobicContact CG-CG1 4.37Å; L126-I130 WeakPolarHBondContact O-CG1 3.48Å; L126-I130 PolarHBondContact O-N 3.43Å; R127-I130 PolarHBondContact O-N 3.31Å; I130-T134 WeakPolarHBondContact O-CB 3.46Å; I130-T134 PolarHBondContact O-N 2.97Å; I130-T134 VanDerWaalsContact O-N 3.14Å; I130-F139 HydrophobicContact CB-CD2 4.4Å; I130-F139 HydrophobicContact CG1-CB 4.37Å; I130-F139 HydrophobicContact CG1-CD1 4.15Å; I130-F139 HydrophobicContact CG1-CD2 3.81Å; I130-F139 HydrophobicContact CG1-CE1 4.42Å; I130-F139 HydrophobicContact CG1-CE2 4.11Å; I130-F139 HydrophobicContact CG1-CG 3.84Å; I130-F139 HydrophobicContact CG1-CZ 4.41Å; I130-L141 HydrophobicContact CD1-CD1 4.45Å; I130-V153 HydrophobicContact CD1-CG1 4.42Å; I130-R156 HydrophobicContact CG2-CB 4.14Å
131E95.2Very high93.5Very high77 Ų7747.5 Ų47.536%0.3623%0.226SC..Hα-helixtrans-60.6-48176.5-69.9168.7-177.300111.9R127 I129 F133 R156R127-E131 IonicContact CZ-OE1 3.38Å; R127-E131 IonicContact NE-OE1 2.87Å; R127-E131 PolarHBondContact NE-OE1 2.86Å; R127-E131 IonicContact NH2-OE1 3.77Å; R127-E131 PolarHBondContact NH2-OE1 3.46Å; R127-E131 WeakPolarHBondContact O-CG 3.46Å; R127-E131 PolarHBondContact O-N 3.43Å; R127-E131 VanDerWaalsContact O-N 3.14Å; I129-E131 VanDerWaalsContact C-N 3.31Å; I129-E131 PolarHBondContact O-N 3.43Å; E131-F133 PolarHBondContact O-N 3.16Å; E131-R156 VanDerWaalsContact CG-NE 3.29Å; E131-R156 IonicContact OE1-CZ 3Å; E131-R156 IonicContact OE1-NE 2.83Å; E131-R156 PolarHBondContact OE1-NE 3.45Å; E131-R156 IonicContact OE1-NH2 2.6Å; E131-R156 PolarHBondContact OE1-NH2 3.42Å
132K94.3Very high93.8Very high153 Ų15342 Ų4267%0.66520%0.197SC*.Hα-helixtrans-64.5-37.8-175.2-176.7175.9178.8-179.70113.1R128 I129R128-K132 WeakPolarHBondContact O-CB 3.25Å; R128-K132 PolarHBondContact O-N 3.08Å; I129-K132 PolarHBondContact O-N 3.41Å
133F93.1Very high94.2Very high22 Ų2241.8 Ų41.810%0.09620%0.195CC..Hα-helixtrans-108.413.6-172.8-62.9-75.9000113.9L94 A97 I129 E131 N135 N136 V137L94-F133 HydrophobicContact CD2-CE2 3.55Å; L94-F133 HydrophobicContact CD2-CZ 3.94Å; A97-F133 HydrophobicContact CB-CB 4.29Å; A97-F133 HydrophobicContact CB-CD1 3.65Å; A97-F133 HydrophobicContact CB-CD2 3.98Å; A97-F133 HydrophobicContact CB-CE1 3.83Å; A97-F133 HydrophobicContact CB-CE2 4.18Å; A97-F133 HydrophobicContact CB-CG 3.71Å; A97-F133 HydrophobicContact CB-CZ 4.09Å; I129-F133 HydrophobicContact CG2-CD2 3.72Å; I129-F133 HydrophobicContact CG2-CE2 4.09Å; I129-F133 WeakPolarHBondContact O-CD2 3.4Å; I129-F133 PolarHBondContact O-N 2.94Å; E131-F133 PolarHBondContact O-N 3.16Å; F133-N135 PolarHBondContact O-N 3.34Å; F133-N135 VanDerWaalsContact O-N 3.08Å; F133-N136 PolarHBondContact O-N 3.44Å; F133-N136 VanDerWaalsContact O-N 3.17Å; F133-N136 PolarHBondContact O-OD1 3.26Å; F133-V137 HydrophobicContact CB-CB 4.06Å; F133-V137 HydrophobicContact CB-CG2 3.99Å; F133-V137 PolarHBondContact O-N 3.03Å
134T92.5Very high94.4Very high48 Ų4844.1 Ų44.129%0.29421%0.207SC..THydrogen-bonded Turntrans-57.9-26.9-179.4-1650000113.1H43 I130 N136 R138H43-T134 PolarHBondContact NE2-OG1 3Å; I130-T134 WeakPolarHBondContact O-CB 3.46Å; I130-T134 PolarHBondContact O-N 2.97Å; I130-T134 VanDerWaalsContact O-N 3.14Å; T134-N136 VanDerWaalsContact C-N 3.31Å; T134-N136 PolarHBondContact O-N 2.8Å; T134-R138 PolarHBondContact O-NH1 3.35Å; T134-R138 PolarHBondContact OG1-NH1 3.09Å
135N89.5Confident94.5Very high153 Ų15347.9 Ų47.982%0.81822%0.219SC*.THydrogen-bonded Turntrans-72.8-23.4-177.7-68.9-23.6000113.8F133F133-N135 PolarHBondContact O-N 3.34Å; F133-N135 VanDerWaalsContact O-N 3.08Å
136N89.6Confident94.9Very high67 Ų6748.9 Ų48.936%0.35822%0.223SC..THydrogen-bonded Turntrans-132.2-10.6-17366.2-39.5000114.4A97 F107 K108 F133 T134A97-N136 PolarHBondContact O-ND2 2.68Å; A97-N136 VanDerWaalsContact O-ND2 3.15Å; F107-N136 CarbonylContact C-O 3.58Å; F107-N136 VanDerWaalsContact CA-O 3.29Å; F107-N136 WeakPolarHBondContact CA-O 3.41Å; K108-N136 PolarHBondContact N-O 3.33Å; F133-N136 PolarHBondContact O-N 3.44Å; F133-N136 VanDerWaalsContact O-N 3.17Å; F133-N136 PolarHBondContact O-OD1 3.26Å; T134-N136 VanDerWaalsContact C-N 3.31Å; T134-N136 PolarHBondContact O-N 2.8Å
137V94Very high95.1Very high0 Ų053.8 Ų53.80%026%0.257CS..EExtended strand (participates in β ladder)trans-128.7131.7-178.7-174.10000110.4H43 A97 K108 V110 F133 F139H43-V137 PolarHBondContact CE1-O 2.89Å; H43-V137 VanDerWaalsContact CE1-O 3.24Å; A97-V137 HydrophobicContact CB-CG2 3.78Å; K108-V137 HydrophobicContact CB-CG2 4.35Å; K108-V137 CarbonylContact O-C 3.53Å; K108-V137 WeakPolarHBondContact O-CA 3.37Å; V110-V137 HydrophobicContact CB-CG1 4.46Å; V110-V137 HydrophobicContact CG2-CG1 3.67Å; F133-V137 HydrophobicContact CB-CB 4.06Å; F133-V137 HydrophobicContact CB-CG2 3.99Å; F133-V137 PolarHBondContact O-N 3.03Å; V137-F139 HydrophobicContact CB-CE2 4.05Å; V137-F139 HydrophobicContact CG1-CD2 4.1Å; V137-F139 HydrophobicContact CG1-CE2 3.62Å; V137-F139 HydrophobicContact CG1-CZ 3.91Å
138R95.9Very high95.2Very high54 Ų5455.4 Ų55.420%0.20427%0.267CS..EExtended strand (participates in β ladder)trans-101.2144.6166.5-63.4-61.2177.2-125.8-7109.5L41 F107 K108 L109 V110 T134L41-R138 WeakPolarHBondContact O-CD 3.36Å; L41-R138 PolarHBondContact O-NE 3.3Å; F107-R138 HydrophobicContact CB-CG 4.19Å; F107-R138 HydrophobicContact CD1-CG 4.25Å; F107-R138 HydrophobicContact CD2-CB 3.71Å; F107-R138 HydrophobicContact CD2-CG 3.29Å; F107-R138 HydrophobicContact CE2-CB 3.94Å; F107-R138 HydrophobicContact CE2-CG 3.63Å; F107-R138 HydrophobicContact CG-CG 3.65Å; F107-R138 HydrophobicContact CZ-CG 4.24Å; K108-R138 PolarHBondContact O-N 3.23Å; L109-R138 CarbonylContact C-O 3.52Å; L109-R138 WeakPolarHBondContact CA-O 3.44Å; L109-R138 HydrophobicContact CD1-CB 4.2Å; V110-R138 PolarHBondContact N-O 2.9Å; T134-R138 PolarHBondContact O-NH1 3.35Å; T134-R138 PolarHBondContact OG1-NH1 3.09Å
139F97.2Very high95.3Very high1 Ų149.2 Ų49.20%0.00424%0.244CC..EExtended strand (participates in β ladder)trans-116.8135.6-178.8-73.5-96.1000107.4H43 L44 I93 V110 L126 I129 I130 V137H43-F139 CarbonylContact C-O 3.55Å; H43-F139 WeakPolarHBondContact CA-O 3.3Å; H43-F139 AromaticContact CE1-CD2 3.78Å; H43-F139 AromaticContact ND1-CD2 3.59Å; H43-F139 PolarHBondContact ND1-N 3.48Å; L44-F139 PolarHBondContact N-O 2.85Å; I93-F139 HydrophobicContact CG2-CE1 3.78Å; I93-F139 HydrophobicContact CG2-CZ 3.89Å; V110-F139 HydrophobicContact CB-CD1 3.73Å; V110-F139 HydrophobicContact CB-CE1 3.82Å; V110-F139 HydrophobicContact CB-CG 4.42Å; V110-F139 HydrophobicContact CG1-CD1 3.88Å; V110-F139 HydrophobicContact CG1-CE1 3.89Å; V110-F139 HydrophobicContact CG2-CD1 4.4Å; V110-F139 HydrophobicContact CG2-CE1 4.02Å; V110-F139 HydrophobicContact CG2-CZ 4.39Å; V110-F139 CarbonylContact O-C 3.57Å; V110-F139 WeakPolarHBondContact O-CA 3.39Å; L126-F139 HydrophobicContact CD1-CD1 4.33Å; L126-F139 HydrophobicContact CD1-CE1 4.14Å; I129-F139 HydrophobicContact CG2-CE1 4.45Å; I129-F139 HydrophobicContact CG2-CZ 3.87Å; I130-F139 HydrophobicContact CB-CD2 4.4Å; I130-F139 HydrophobicContact CG1-CB 4.37Å; I130-F139 HydrophobicContact CG1-CD1 4.15Å; I130-F139 HydrophobicContact CG1-CD2 3.81Å; I130-F139 HydrophobicContact CG1-CE1 4.42Å; I130-F139 HydrophobicContact CG1-CE2 4.11Å; I130-F139 HydrophobicContact CG1-CG 3.84Å; I130-F139 HydrophobicContact CG1-CZ 4.41Å; V137-F139 HydrophobicContact CB-CE2 4.05Å; V137-F139 HydrophobicContact CG1-CD2 4.1Å; V137-F139 HydrophobicContact CG1-CE2 3.62Å; V137-F139 HydrophobicContact CG1-CZ 3.91Å
140C97.8Very high95.5Very high0 Ų049.5 Ų49.50%025%0.245CC..EExtended strand (participates in β ladder)trans-119.7114165.2-1770000108L44 I58 L109 V110 I111 L112L44-C140 HydrophobicContact CB-CB 4.15Å; L44-C140 HydrophobicContact CD1-CB 4.5Å; L44-C140 WeakPolarHBondContact O-CA 3.3Å; I58-C140 HydrophobicContact CD1-CB 3.75Å; I58-C140 HydrophobicContact CG1-CB 3.69Å; I58-C140 VanDerWaalsContact CG1-SG 3.58Å; L109-C140 HydrophobicContact CD1-CB 4.46Å; V110-C140 PolarHBondContact O-N 2.77Å; I111-C140 WeakPolarHBondContact CA-O 3.47Å; L112-C140 PolarHBondContact N-O 2.85Å
141L97.6Very high95.7Very high2 Ų254 Ų541%0.0127%0.274CS..EExtended strand (participates in β ladder)trans-98.5129.3176.4-50.6-175.8000108.6L44 L45 F46 L112 A115 L126 I130 V153L44-L141 PolarHBondContact O-N 3.41Å; L45-L141 CarbonylContact C-O 3.58Å; L45-L141 WeakPolarHBondContact CA-O 3.42Å; L45-L141 HydrophobicContact CG-CB 4.47Å; F46-L141 PolarHBondContact N-O 3.03Å; L112-L141 HydrophobicContact CB-CD2 3.81Å; L112-L141 HydrophobicContact CD2-CD2 4.01Å; A115-L141 HydrophobicContact CB-CB 4.24Å; L126-L141 HydrophobicContact CD2-CD1 4.11Å; L126-L141 HydrophobicContact CD2-CD2 3.92Å; I130-L141 HydrophobicContact CD1-CD1 4.45Å; L141-V153 HydrophobicContact CD1-CG1 3.28Å
142I97.7Very high95.8Very high0 Ų052.3 Ų52.30%027%0.27CS..EExtended strand (participates in β ladder)trans-112.5133.9176.7-55.8162.5000108.3F46 K54 T55 I58 I111 L112 D113 E114 A115F46-I142 HydrophobicContact CB-CG1 4.33Å; F46-I142 WeakPolarHBondContact O-CA 3.45Å; K54-I142 HydrophobicContact CB-CG2 3.63Å; K54-I142 HydrophobicContact CD-CG2 3.87Å; K54-I142 VanDerWaalsContact CE-CG2 3.48Å; K54-I142 HydrophobicContact CG-CG2 4.37Å; T55-I142 HydrophobicContact CG2-CD1 4.28Å; I58-I142 HydrophobicContact CG2-CD1 3.88Å; I111-I142 HydrophobicContact CG2-CD1 3.89Å; L112-I142 PolarHBondContact O-N 3.37Å; D113-I142 HydrophobicContact CB-CD1 4.44Å; D113-I142 WeakPolarHBondContact OD1-CB 3.35Å; D113-I142 VanDerWaalsContact OD1-CG2 3.26Å; D113-I142 WeakPolarHBondContact OD1-CG2 3.45Å; E114-I142 PolarHBondContact N-O 3.01Å; A115-I142 WeakPolarHBondContact CB-O 3.39Å; A115-I142 PolarHBondContact N-O 3.15Å
143C96.8Very high95.9Very high1 Ų145.1 Ų45.11%0.00724%0.239CC..EExtended strand (participates in β ladder)trans-147.5163.5174.462.70000112F46 Y47 G48 K54 D116 I149F46-C143 PolarHBondContact O-N 2.86Å; Y47-C143 VanDerWaalsContact CA-O 3.3Å; Y47-C143 WeakPolarHBondContact CA-O 3.42Å; G48-C143 PolarHBondContact N-O 3.46Å; K54-C143 VanDerWaalsContact CE-O 3.3Å; K54-C143 WeakPolarHBondContact CE-O 3.46Å; D116-C143 HydrophobicContact CB-CB 3.73Å; D116-C143 WeakPolarHBondContact OD1-CA 3.41Å; D116-C143 WeakPolarHBondContact OD1-CB 3.35Å; C143-I149 HydrophobicContact CB-CD1 4.11Å; C143-I149 HydrophobicContact CB-CG1 4.3Å
144N97.1Very high96.2Very high52 Ų5246 Ų4628%0.27824%0.243SC..SBendtrans-87.8-39.3170.7-66.9-38.8000110.9G48 K54 D116G48-N144 WeakPolarHBondContact O-CA 3.21Å; G48-N144 PolarHBondContact O-OD1 3.19Å; K54-N144 PolarHBondContact NZ-OD1 3.18Å; D116-N144 PolarHBondContact OD1-N 3.04Å; D116-N144 PolarHBondContact OD2-N 3.1Å; D116-N144 VanDerWaalsContact OD2-N 3.09Å
145Y96.7Very high96.4Very high136 Ų13648.4 Ų48.453%0.53326%0.262SS..  trans-117.5106.8-176-54-80.5000112.3D116 S147 K148D116-Y145 WeakPolarHBondContact OD2-CD2 3.34Å; D116-Y145 PolarHBondContact OD2-N 3.12Å; Y145-S147 PolarHBondContact O-N 3.28Å; Y145-K148 HydrophobicContact CD2-CD 4.31Å; Y145-K148 PolarHBondContact O-N 3.47Å; Y145-K148 VanDerWaalsContact O-N 3.1Å
146L97.4Very high96.8Very high28 Ų2844.9 Ų44.915%0.14724%0.237CC..G310 helixtrans-57.1-34.6176.8-177.166.2000112.6L45 Y47 K148 I149 Q154L45-L146 HydrophobicContact CD1-CD1 3.86Å; L45-L146 HydrophobicContact CD2-CD1 3.55Å; L45-L146 HydrophobicContact CG-CD1 4.4Å; Y47-L146 HydrophobicContact CD1-CD1 4.32Å; Y47-L146 HydrophobicContact CD2-CB 3.67Å; Y47-L146 HydrophobicContact CD2-CD2 4.26Å; Y47-L146 HydrophobicContact CD2-CG 4.42Å; Y47-L146 HydrophobicContact CE1-CD2 4.23Å; Y47-L146 HydrophobicContact CE2-CB 4.08Å; Y47-L146 HydrophobicContact CE2-CD2 3.91Å; Y47-L146 HydrophobicContact CG-CB 3.98Å; Y47-L146 HydrophobicContact CG-CD1 4.31Å; L146-K148 PolarHBondContact O-N 2.93Å; L146-I149 WeakPolarHBondContact O-CB 3.46Å; L146-I149 PolarHBondContact O-N 3.15Å; L146-Q154 HydrophobicContact CD1-CG 4.05Å; L146-Q154 PolarHBondContact O-NE2 2.96Å; L146-Q154 VanDerWaalsContact O-NE2 3.12Å
147S97.4Very high97.2Very high108 Ų10842.3 Ų42.376%0.75522%0.224SC*.G310 helixtrans-61.8-21.7-179.753.90000113.9Y145 I149Y145-S147 PolarHBondContact O-N 3.28Å; S147-I149 VanDerWaalsContact C-N 3.33Å
148K96.5Very high97.4Very high116 Ų11646.1 Ų46.150%0.50424%0.243SC..G310 helixtrans-82.5-10.8175-66.8-173.9178.1-177.10113D116 Q123 Y145 L146D116-K148 HydrophobicContact CB-CB 3.66Å; D116-K148 HydrophobicContact CB-CD 3.95Å; D116-K148 HydrophobicContact CB-CG 4.4Å; Q123-K148 PolarHBondContact NE2-O 3.23Å; Y145-K148 HydrophobicContact CD2-CD 4.31Å; Y145-K148 PolarHBondContact O-N 3.47Å; Y145-K148 VanDerWaalsContact O-N 3.1Å; L146-K148 PolarHBondContact O-N 2.93Å
149I97.5Very high97.4Very high5 Ų550 Ų503%0.02626%0.257CS..SBendtrans-90.3130.1176-51.8-57000110L45 A115 D116 Q123 C143 L146 S147 V153 Q154L45-I149 HydrophobicContact CD1-CG2 4.03Å; A115-I149 HydrophobicContact CB-CD1 4.1Å; D116-I149 HydrophobicContact CB-CD1 4.17Å; Q123-I149 VanDerWaalsContact OE1-CA 3.29Å; C143-I149 HydrophobicContact CB-CD1 4.11Å; C143-I149 HydrophobicContact CB-CG1 4.3Å; L146-I149 WeakPolarHBondContact O-CB 3.46Å; L146-I149 PolarHBondContact O-N 3.15Å; S147-I149 VanDerWaalsContact C-N 3.33Å; I149-V153 HydrophobicContact CG2-CB 4Å; I149-V153 HydrophobicContact CG2-CG1 3.86Å; I149-Q154 HydrophobicContact CB-CG 4.15Å; I149-Q154 HydrophobicContact CG2-CG 3.86Å; I149-Q154 PolarHBondContact O-NE2 3.36Å
150I97.3Very high97.4Very high15 Ų1550.9 Ų50.98%0.07726%0.261CS..  trans-66.4141.7-17866.2174.4000111.6R120 Q123 N124 P152 V153 Q154R120-I150 HydrophobicContact CG-CG2 4.34Å; Q123-I150 HydrophobicContact CB-CD1 3.77Å; Q123-I150 HydrophobicContact CB-CG1 3.91Å; Q123-I150 HydrophobicContact CB-CG2 4.38Å; N124-I150 HydrophobicContact CB-CD1 4.48Å; N124-I150 WeakPolarHBondContact OD1-CD1 3.48Å; I150-P152 VanDerWaalsContact C-CD 3.41Å; I150-P152 VanDerWaalsContact C-N 3.32Å; I150-P152 HydrophobicContact CD1-CB 4.49Å; I150-P152 HydrophobicContact CD1-CG 4.46Å; I150-V153 HydrophobicContact CD1-CG2 3.95Å; I150-V153 HydrophobicContact CG1-CB 4.03Å; I150-V153 HydrophobicContact CG1-CG2 3.63Å; I150-V153 PolarHBondContact O-N 2.9Å; I150-Q154 PolarHBondContact O-N 2.71Å
151P98.1Very high97.4Very high95 Ų9558.7 Ų58.762%0.61729%0.291SS*.Hα-helixtrans-53-37.3-179.7-26.133.1000115.4V153 Q154 S155P151-V153 VanDerWaalsContact C-N 3.29Å; P151-V153 PolarHBondContact O-N 2.93Å; P151-Q154 PolarHBondContact O-N 3.39Å; P151-S155 WeakPolarHBondContact O-CB 3.2Å; P151-S155 PolarHBondContact O-N 3.39Å
152P97.8Very high97.3Very high43 Ų4358.6 Ų58.628%0.27929%0.29SS..Hα-helixtrans-60.2-33.6176.4-27.736.8000114.7R127 I150 R156R127-P152 HydrophobicContact CG-CB 4.06Å; I150-P152 VanDerWaalsContact C-CD 3.41Å; I150-P152 VanDerWaalsContact C-N 3.32Å; I150-P152 HydrophobicContact CD1-CB 4.49Å; I150-P152 HydrophobicContact CD1-CG 4.46Å; P152-R156 WeakPolarHBondContact O-CD 3.47Å; P152-R156 PolarHBondContact O-NH1 3.45Å
153V97.2Very high97.2Very high1 Ų159.3 Ų59.31%0.00630%0.298CS..Hα-helixtrans-75.2-45.7175.4171.80000109.8Q123 R127 I130 L141 I149 I150 P151 S155 R156 C157Q123-V153 HydrophobicContact CB-CG2 4.42Å; Q123-V153 WeakPolarHBondContact O-CG2 3.26Å; R127-V153 HydrophobicContact CB-CG2 3.89Å; I130-V153 HydrophobicContact CD1-CG1 4.42Å; L141-V153 HydrophobicContact CD1-CG1 3.28Å; I149-V153 HydrophobicContact CG2-CB 4Å; I149-V153 HydrophobicContact CG2-CG1 3.86Å; I150-V153 HydrophobicContact CD1-CG2 3.95Å; I150-V153 HydrophobicContact CG1-CB 4.03Å; I150-V153 HydrophobicContact CG1-CG2 3.63Å; I150-V153 PolarHBondContact O-N 2.9Å; P151-V153 VanDerWaalsContact C-N 3.29Å; P151-V153 PolarHBondContact O-N 2.93Å; V153-S155 VanDerWaalsContact C-N 3.26Å; V153-S155 PolarHBondContact O-N 2.97Å; V153-R156 PolarHBondContact O-N 3.49Å; V153-R156 VanDerWaalsContact O-N 3.08Å; V153-C157 PolarHBondContact O-SG 2.86Å; V153-C157 VanDerWaalsContact O-SG 3.37Å
154Q98.2Very high97.1Very high41 Ų4162.8 Ų62.819%0.19232%0.321CS..Hα-helixtrans-55.8-41.9176.7-61.4-170.931.100111.9L45 L146 I149 I150 P151 R156 C157L45-Q154 HydrophobicContact CD1-CB 4.49Å; L45-Q154 HydrophobicContact CD1-CG 4.04Å; L146-Q154 HydrophobicContact CD1-CG 4.05Å; L146-Q154 PolarHBondContact O-NE2 2.96Å; L146-Q154 VanDerWaalsContact O-NE2 3.12Å; I149-Q154 HydrophobicContact CB-CG 4.15Å; I149-Q154 HydrophobicContact CG2-CG 3.86Å; I149-Q154 PolarHBondContact O-NE2 3.36Å; I150-Q154 PolarHBondContact O-N 2.71Å; P151-Q154 PolarHBondContact O-N 3.39Å; Q154-R156 PolarHBondContact O-N 3.32Å; Q154-R156 VanDerWaalsContact O-N 3.15Å; Q154-C157 PolarHBondContact O-N 2.98Å; Q154-C157 VanDerWaalsContact O-N 3.14Å; Q154-C157 VanDerWaalsContact O-O 3.05Å
155S97.6Very high97Very high98 Ų9861.3 Ų61.369%0.68531%0.313SS*.THydrogen-bonded Turntrans-62.2-19.9180175.90000114.4P151 V153P151-S155 WeakPolarHBondContact O-CB 3.2Å; P151-S155 PolarHBondContact O-N 3.39Å; V153-S155 VanDerWaalsContact C-N 3.26Å; V153-S155 PolarHBondContact O-N 2.97Å
156R97.3Very high96.9Very high80 Ų8061.8 Ų61.830%0.30232%0.318SS..THydrogen-bonded Turntrans-96-7.5-179.7-76.5155.4-177.356.317.3112.9H43 I130 E131 P152 V153 Q154H43-R156 WeakPolarHBondContact CB-O 3.25Å; I130-R156 HydrophobicContact CG2-CB 4.14Å; E131-R156 VanDerWaalsContact CG-NE 3.29Å; E131-R156 IonicContact OE1-CZ 3Å; E131-R156 IonicContact OE1-NE 2.83Å; E131-R156 PolarHBondContact OE1-NE 3.45Å; E131-R156 IonicContact OE1-NH2 2.6Å; E131-R156 PolarHBondContact OE1-NH2 3.42Å; P152-R156 WeakPolarHBondContact O-CD 3.47Å; P152-R156 PolarHBondContact O-NH1 3.45Å; V153-R156 PolarHBondContact O-N 3.49Å; V153-R156 VanDerWaalsContact O-N 3.08Å; Q154-R156 PolarHBondContact O-N 3.32Å; Q154-R156 VanDerWaalsContact O-N 3.15Å
157C98Very high96.8Very high12 Ų1264.3 Ų64.38%0.08134%0.337CS..SBendtrans-118.7138.2-173.3-550000110.8H43 L45 V153 Q154 R159H43-C157 HydrophobicContact CB-CB 4.44Å; H43-C157 CarbonylContact O-C 3.56Å; H43-C157 WeakPolarHBondContact O-CA 3.48Å; L45-C157 HydrophobicContact CB-CB 3.67Å; V153-C157 PolarHBondContact O-SG 2.86Å; V153-C157 VanDerWaalsContact O-SG 3.37Å; Q154-C157 PolarHBondContact O-N 2.98Å; Q154-C157 VanDerWaalsContact O-N 3.14Å; Q154-C157 VanDerWaalsContact O-O 3.05Å; C157-R159 PolarHBondContact O-N 3.5Å
158M97.5Very high96.7Very high80 Ų8065.4 Ų65.439%0.39434%0.335SS..EExtended strand (participates in β ladder)trans-70.6126.9162.5-176.1169-75.700109.1F35 P42 H43 L44 L45 F160F35-M158 HydrophobicContact CE2-CE 4.11Å; F35-M158 HydrophobicContact CE2-SD 3.36Å; F35-M158 WeakPolarHBondContact CE2-SD 3.37Å; F35-M158 HydrophobicContact CZ-CE 3.86Å; F35-M158 HydrophobicContact CZ-SD 3.67Å; P42-M158 HydrophobicContact CB-CB 4.49Å; P42-M158 HydrophobicContact CG-CB 3.85Å; P42-M158 HydrophobicContact CG-CE 4.4Å; P42-M158 HydrophobicContact CG-SD 4.23Å; H43-M158 PolarHBondContact O-N 3.19Å; L44-M158 CarbonylContact C-O 3.53Å; L44-M158 WeakPolarHBondContact CA-O 3.4Å; L44-M158 HydrophobicContact CD2-CB 4.49Å; L45-M158 PolarHBondContact N-O 3Å; M158-F160 HydrophobicContact CB-CE2 4.32Å; M158-F160 HydrophobicContact CG-CD2 4.31Å; M158-F160 HydrophobicContact CG-CE2 3.67Å; M158-F160 HydrophobicContact CG-CZ 4.08Å; M158-F160 HydrophobicContact SD-CE2 3.76Å; M158-F160 HydrophobicContact SD-CZ 3.67Å
159R97.4Very high96.6Very high135 Ų13561.7 Ų61.751%0.50932%0.319SS..EExtended strand (participates in β ladder)trans-95.1131.7-173.8-64178.8-66.2140.22.6110.5L45 Y47 C157L45-R159 HydrophobicContact CB-CG 4.34Å; L45-R159 WeakPolarHBondContact O-CA 3.19Å; Y47-R159 HydrophobicContact CE1-CB 4.04Å; C157-R159 PolarHBondContact O-N 3.5Å
160F97.3Very high96.5Very high20 Ų2061.4 Ų61.49%0.08832%0.318CS..EExtended strand (participates in β ladder)trans-124.6120.7173.8-73-78.9000109.5I28 T31 L32 F35 L44 L45 F46 Y47 M158 F162I28-F160 HydrophobicContact CB-CD1 4.15Å; I28-F160 HydrophobicContact CD1-CB 4.2Å; I28-F160 HydrophobicContact CD1-CD1 4.26Å; I28-F160 HydrophobicContact CG1-CD1 3.9Å; I28-F160 HydrophobicContact CG2-CB 4.23Å; I28-F160 HydrophobicContact CG2-CD1 3.63Å; I28-F160 HydrophobicContact CG2-CE1 4.14Å; I28-F160 HydrophobicContact CG2-CG 4.01Å; T31-F160 HydrophobicContact CG2-CE1 4.07Å; T31-F160 HydrophobicContact CG2-CZ 3.83Å; L32-F160 HydrophobicContact CD2-CE2 4.07Å; L32-F160 HydrophobicContact CD2-CZ 4.32Å; F35-F160 HydrophobicContact CE2-CZ 4.22Å; L44-F160 HydrophobicContact CD2-CD2 4.16Å; L44-F160 HydrophobicContact CD2-CE2 3.74Å; L45-F160 PolarHBondContact O-N 3.24Å; F46-F160 WeakPolarHBondContact CA-O 3.36Å; F46-F160 HydrophobicContact CD1-CB 3.74Å; F46-F160 HydrophobicContact CD1-CD2 4.1Å; F46-F160 HydrophobicContact CD1-CG 4.33Å; F46-F160 HydrophobicContact CE1-CB 3.95Å; F46-F160 AromaticContact CE1-CD2 3.64Å; F46-F160 HydrophobicContact CE1-CD2 3.64Å; F46-F160 HydrophobicContact CE1-CG 4.08Å; Y47-F160 VanDerWaalsContact CD1-O 3.29Å; Y47-F160 WeakPolarHBondContact CD1-O 3.25Å; Y47-F160 PolarHBondContact N-O 3.43Å; M158-F160 HydrophobicContact CB-CE2 4.32Å; M158-F160 HydrophobicContact CG-CD2 4.31Å; M158-F160 HydrophobicContact CG-CE2 3.67Å; M158-F160 HydrophobicContact CG-CZ 4.08Å; M158-F160 HydrophobicContact SD-CE2 3.76Å; M158-F160 HydrophobicContact SD-CZ 3.67Å; F160-F162 HydrophobicContact CB-CE2 4.04Å
161R96.3Very high96.5Very high164 Ų16461.6 Ų61.662%0.61932%0.319SS*.EExtended strand (participates in β ladder)trans-92.4120.1179.1-172-180177.1-149.4-0.8109.9I28 Y47I28-R161 WeakPolarHBondContact CD1-O 3.44Å; Y47-R161 HydrophobicContact CD2-CG 4.28Å; Y47-R161 HydrophobicContact CE1-CB 3.81Å; Y47-R161 HydrophobicContact CE1-CG 4.42Å; Y47-R161 HydrophobicContact CE2-CB 3.99Å; Y47-R161 HydrophobicContact CE2-CG 3.69Å; Y47-R161 CarbonylContact O-C 3.56Å; Y47-R161 WeakPolarHBondContact O-CA 3.29Å
162F96.5Very high96.4Very high0 Ų060.2 Ų60.20%031%0.312CS..  trans-94.6104.2172.1-72-108.2000108.4Q25 I28 F46 Y47 G48 P49 K54 T57 F160Q25-F162 HydrophobicContact CG-CD1 3.87Å; Q25-F162 HydrophobicContact CG-CE1 4.24Å; I28-F162 HydrophobicContact CD1-CD2 4.27Å; I28-F162 HydrophobicContact CD1-CE2 4.11Å; I28-F162 HydrophobicContact CD1-CZ 4.28Å; I28-F162 HydrophobicContact CG2-CE2 4.39Å; I28-F162 HydrophobicContact CG2-CZ 4.02Å; F46-F162 HydrophobicContact CB-CD2 4.15Å; F46-F162 HydrophobicContact CB-CE2 3.78Å; F46-F162 AromaticContact CD1-CE2 3.89Å; F46-F162 HydrophobicContact CD1-CE2 3.89Å; F46-F162 AromaticContact CD2-CE2 3.68Å; F46-F162 HydrophobicContact CD2-CE2 3.68Å; F46-F162 AromaticContact CD2-CZ 3.81Å; F46-F162 HydrophobicContact CD2-CZ 3.81Å; F46-F162 HydrophobicContact CE1-CE2 4.38Å; F46-F162 HydrophobicContact CE2-CE2 4.19Å; F46-F162 AromaticContact CE2-CZ 3.98Å; F46-F162 HydrophobicContact CE2-CZ 3.98Å; F46-F162 HydrophobicContact CG-CD2 4.36Å; F46-F162 AromaticContact CG-CE2 3.51Å; F46-F162 HydrophobicContact CG-CE2 3.51Å; F46-F162 HydrophobicContact CG-CZ 4.13Å; F46-F162 HydrophobicContact CZ-CZ 4.44Å; Y47-F162 PolarHBondContact O-N 3.42Å; G48-F162 WeakPolarHBondContact CA-O 3.34Å; P49-F162 WeakPolarHBondContact CD-O 3.45Å; K54-F162 HydrophobicContact CD-CB 4.45Å; K54-F162 HydrophobicContact CG-CB 3.86Å; K54-F162 HydrophobicContact CG-CD1 4.16Å; K54-F162 HydrophobicContact CG-CD2 3.91Å; K54-F162 HydrophobicContact CG-CG 3.7Å; T57-F162 HydrophobicContact CG2-CE1 4.42Å; T57-F162 HydrophobicContact CG2-CZ 4.15Å; F160-F162 HydrophobicContact CB-CE2 4.04Å
163G94.3Very high96.2Very high16 Ų1659.7 Ų59.717%0.16530%0.304CS..PPolyproline II helixtrans-77.1165.4171.700000112.1Q25 T52Q25-G163 PolarHBondContact NE2-O 3.48Å; T52-G163 VanDerWaalsContact CG2-O 3.23Å; T52-G163 WeakPolarHBondContact CG2-O 3.38Å
164P95.8Very high96.2Very high74 Ų7459.6 Ų59.648%0.48130%0.304SS..PPolyproline II helixtrans-49.5144.5167.5-23.933.6000111.4P49P49-P164 HydrophobicContact CG-CG 3.97Å
165L95Very high96.2Very high21 Ų2162.3 Ų62.311%0.1131%0.312CS..PPolyproline II helixtrans-63.9141.9175.9-60177.3000110.5S24 A170 G199 M201S24-L165 WeakPolarHBondContact OG-CD2 3.4Å; L165-A170 HydrophobicContact CB-CB 4.32Å; L165-G199 WeakPolarHBondContact CB-O 3.24Å; L165-G199 VanDerWaalsContact CG-O 3.27Å; L165-G199 WeakPolarHBondContact CG-O 3.4Å; L165-G199 PolarHBondContact N-O 3.44Å; L165-G199 VanDerWaalsContact N-O 3.11Å; L165-M201 HydrophobicContact CD1-CB 3.66Å; L165-M201 HydrophobicContact CD1-CG 4.27Å; L165-M201 HydrophobicContact CD1-SD 4.1Å
166K95.2Very high96.1Very high146 Ų14662.2 Ų62.264%0.63530%0.297SS*.PPolyproline II helixtrans-67148.6169.8-64.2178.5179.3177.20109.2D168 E169 A170K166-D168 VanDerWaalsContact C-N 3.25Å; K166-D168 PolarHBondContact O-N 3.39Å; K166-E169 HydrophobicContact CB-CB 4.45Å; K166-E169 HydrophobicContact CB-CG 4.06Å; K166-E169 PolarHBondContact N-OE2 3.31Å; K166-E169 VanDerWaalsContact N-OE2 3.11Å; K166-E169 WeakPolarHBondContact O-CB 3.43Å; K166-E169 PolarHBondContact O-N 2.83Å; K166-A170 PolarHBondContact O-N 3.42Å
167S95.1Very high96.1Very high80 Ų8058.4 Ų58.456%0.55928%0.283SS*.Hα-helixtrans-53.6-42.8-179.2-530000112.4E169 A170 L171S167-E169 PolarHBondContact O-N 2.94Å; S167-A170 PolarHBondContact O-N 3.44Å; S167-L171 WeakPolarHBondContact O-CB 3.39Å; S167-L171 PolarHBondContact O-N 3.24Å
168D95.4Very high96Very high131 Ų13157.8 Ų57.870%0.70128%0.279SS*.Hα-helixtrans-64.9-37178.8-60.2-24.3000113.1K166 S172K166-D168 VanDerWaalsContact C-N 3.25Å; K166-D168 PolarHBondContact O-N 3.39Å; D168-S172 VanDerWaalsContact O-CB 3.31Å; D168-S172 WeakPolarHBondContact O-CB 3.31Å; D168-S172 PolarHBondContact O-N 2.95Å
169E94Very high96Very high38 Ų3858.6 Ų58.618%0.17829%0.285CS..Hα-helixtrans-68-47177.8-65172.316000110.3V23 S24 K166 S167 R173V23-E169 HydrophobicContact CB-CB 4.44Å; V23-E169 HydrophobicContact CG1-CB 3.79Å; V23-E169 HydrophobicContact CG1-CG 4.27Å; V23-E169 VanDerWaalsContact CG1-O 3.31Å; V23-E169 WeakPolarHBondContact CG1-O 3.32Å; S24-E169 VanDerWaalsContact CB-OE2 3.25Å; S24-E169 WeakPolarHBondContact CB-OE2 3.34Å; K166-E169 HydrophobicContact CB-CB 4.45Å; K166-E169 HydrophobicContact CB-CG 4.06Å; K166-E169 PolarHBondContact N-OE2 3.31Å; K166-E169 VanDerWaalsContact N-OE2 3.11Å; K166-E169 WeakPolarHBondContact O-CB 3.43Å; K166-E169 PolarHBondContact O-N 2.83Å; S167-E169 PolarHBondContact O-N 2.94Å; E169-R173 PolarHBondContact O-N 3.43Å
170A96.1Very high95.9Very high0 Ų057 Ų570%028%0.283CS..Hα-helixtrans-63.1-46.1176.300000111.3L165 K166 S167 S172 R173 V174 V194L165-A170 HydrophobicContact CB-CB 4.32Å; K166-A170 PolarHBondContact O-N 3.42Å; S167-A170 PolarHBondContact O-N 3.44Å; A170-S172 PolarHBondContact O-N 2.91Å; A170-R173 PolarHBondContact O-N 3.45Å; A170-R173 VanDerWaalsContact O-N 3.1Å; A170-V174 WeakPolarHBondContact O-CG2 3.24Å; A170-V174 PolarHBondContact O-N 2.81Å; A170-V194 HydrophobicContact CB-CG1 3.96Å; A170-V194 HydrophobicContact CB-CG2 4.14Å
171L96.8Very high95.9Very high18 Ų1858.6 Ų58.69%0.09429%0.291CS..Hα-helixtrans-62-41.6-179.9-174.459000112.1S167 R173 V174 R175 L190 V194S167-L171 WeakPolarHBondContact O-CB 3.39Å; S167-L171 PolarHBondContact O-N 3.24Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 2.96Å; L171-V174 PolarHBondContact O-N 3.4Å; L171-R175 WeakPolarHBondContact O-CB 3.34Å; L171-R175 WeakPolarHBondContact O-CG 3.45Å; L171-R175 PolarHBondContact O-N 3.05Å; L171-L190 HydrophobicContact CD1-CB 3.66Å; L171-L190 HydrophobicContact CD1-CD1 4.48Å; L171-V194 HydrophobicContact CB-CG2 4Å; L171-V194 HydrophobicContact CD1-CG2 4.1Å
172S94.8Very high95.9Very high67 Ų6759.4 Ų59.447%0.46930%0.299SS..Hα-helixtrans-58.3-42.1174177.30000111.6D168 A170 Y176D168-S172 VanDerWaalsContact O-CB 3.31Å; D168-S172 WeakPolarHBondContact O-CB 3.31Å; D168-S172 PolarHBondContact O-N 2.95Å; A170-S172 PolarHBondContact O-N 2.91Å; S172-Y176 PolarHBondContact O-N 3.39Å; S172-Y176 VanDerWaalsContact O-N 3.12Å
173R95.1Very high95.8Very high31 Ų3160.1 Ų60.112%0.11730%0.303CS..Hα-helixtrans-70.7-41.2177.9-168.857.9177.2168.92.8112.6Y14 V23 E169 A170 L171 R175 Y176 V177 M201Y14-R173 PolarHBondContact O-NH2 3.27Å; V23-R173 HydrophobicContact CG2-CB 4.11Å; V23-R173 HydrophobicContact CG2-CG 4.48Å; E169-R173 PolarHBondContact O-N 3.43Å; A170-R173 PolarHBondContact O-N 3.45Å; A170-R173 VanDerWaalsContact O-N 3.1Å; L171-R173 VanDerWaalsContact C-N 3.29Å; L171-R173 PolarHBondContact O-N 2.96Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R173-Y176 WeakPolarHBondContact O-CB 3.43Å; R173-Y176 PolarHBondContact O-N 2.95Å; R173-V177 WeakPolarHBondContact O-CG2 3.34Å; R173-V177 PolarHBondContact O-N 2.92Å; R173-V177 VanDerWaalsContact O-N 3.15Å; R173-M201 HydrophobicContact CB-CE 4.04Å; R173-M201 HydrophobicContact CB-SD 3.79Å; R173-M201 HydrophobicContact CG-CE 3.91Å; R173-M201 HydrophobicContact CG-CG 4.4Å; R173-M201 HydrophobicContact CG-SD 3.83Å
174V97.4Very high96Very high0 Ų065.7 Ų65.70%033%0.325CS..Hα-helixtrans-58.7-46.9175.1169.10000110.3A170 L171 Y176 V177 V178 L190 I193 V194 M201 A204 L208A170-V174 WeakPolarHBondContact O-CG2 3.24Å; A170-V174 PolarHBondContact O-N 2.81Å; L171-V174 PolarHBondContact O-N 3.4Å; V174-Y176 PolarHBondContact O-N 2.84Å; V174-V177 PolarHBondContact O-N 3.41Å; V174-V177 VanDerWaalsContact O-N 3.08Å; V174-V178 PolarHBondContact O-N 3.04Å; V174-L190 HydrophobicContact CG1-CB 4.36Å; V174-L190 HydrophobicContact CG1-CD1 4.39Å; V174-L190 HydrophobicContact CG1-CD2 3.8Å; V174-L190 HydrophobicContact CG1-CG 4.4Å; V174-I193 HydrophobicContact CG2-CG2 4.42Å; V174-V194 HydrophobicContact CG2-CG2 4.17Å; V174-M201 HydrophobicContact CG2-CE 3.77Å; V174-A204 HydrophobicContact CG2-CB 4.27Å; V174-L208 HydrophobicContact CG1-CD1 4.36Å; V174-L208 HydrophobicContact CG1-CD2 4.21Å
175R96.8Very high96.1Very high98 Ų9866.2 Ų66.237%0.3732%0.318SS..Hα-helixtrans-56.2-47.7176.1-77.9-179.7-177145.20.6112.3L171 R173 V177 V178 D179 L190L171-R175 WeakPolarHBondContact O-CB 3.34Å; L171-R175 WeakPolarHBondContact O-CG 3.45Å; L171-R175 PolarHBondContact O-N 3.05Å; R173-R175 VanDerWaalsContact C-N 3.34Å; R175-V177 VanDerWaalsContact C-N 3.26Å; R175-V177 PolarHBondContact O-N 2.9Å; R175-V178 WeakPolarHBondContact O-CG2 3.38Å; R175-V178 PolarHBondContact O-N 3.35Å; R175-D179 WeakPolarHBondContact O-CB 3.45Å; R175-D179 PolarHBondContact O-N 2.89Å; R175-L190 HydrophobicContact CG-CD1 3.7Å
176Y96Very high96.2Very high95 Ų9568.3 Ų68.337%0.37333%0.329SS..Hα-helixtrans-54.7-42.6175175-100.6000112.6Y14 S172 R173 V174 E180Y14-Y176 HydrophobicContact CD1-CD1 4.38Å; Y14-Y176 AromaticContact CD1-CE1 3.91Å; Y14-Y176 HydrophobicContact CD1-CE1 3.91Å; Y14-Y176 HydrophobicContact CE1-CE1 4.19Å; S172-Y176 PolarHBondContact O-N 3.39Å; S172-Y176 VanDerWaalsContact O-N 3.12Å; R173-Y176 WeakPolarHBondContact O-CB 3.43Å; R173-Y176 PolarHBondContact O-N 2.95Å; V174-Y176 PolarHBondContact O-N 2.84Å; Y176-E180 HydrophobicContact CD1-CG 4.4Å; Y176-E180 HydrophobicContact CD2-CG 4.23Å; Y176-E180 HydrophobicContact CE1-CG 3.94Å; Y176-E180 HydrophobicContact CE2-CG 3.71Å; Y176-E180 VanDerWaalsContact CE2-OE1 3.26Å; Y176-E180 WeakPolarHBondContact CE2-OE1 3.34Å; Y176-E180 WeakPolarHBondContact O-CB 3.46Å; Y176-E180 WeakPolarHBondContact O-CG 3.42Å; Y176-E180 PolarHBondContact O-N 2.74Å; Y176-E180 VanDerWaalsContact O-N 3.1Å; Y176-E180 PolarHBondContact OH-OE1 3.01Å
177V96.6Very high96.2Very high0 Ų064.9 Ų64.90%032%0.321CS..Hα-helixtrans-68.6-44.1179.41760000112.3W10 Y14 R173 V174 R175 D179 E180 E181 L205 L208W10-V177 HydrophobicContact CD2-CG1 4.13Å; W10-V177 HydrophobicContact CE3-CG1 3.53Å; W10-V177 HydrophobicContact CZ3-CG1 3.81Å; Y14-V177 HydrophobicContact CD1-CG2 3.87Å; Y14-V177 HydrophobicContact CD2-CB 4.4Å; Y14-V177 HydrophobicContact CD2-CG1 3.73Å; Y14-V177 HydrophobicContact CD2-CG2 3.86Å; Y14-V177 HydrophobicContact CE1-CG2 4.36Å; Y14-V177 HydrophobicContact CE2-CB 4.48Å; Y14-V177 HydrophobicContact CE2-CG1 3.61Å; Y14-V177 HydrophobicContact CE2-CG2 4.37Å; Y14-V177 HydrophobicContact CG-CG1 4.32Å; Y14-V177 HydrophobicContact CG-CG2 3.6Å; R173-V177 WeakPolarHBondContact O-CG2 3.34Å; R173-V177 PolarHBondContact O-N 2.92Å; R173-V177 VanDerWaalsContact O-N 3.15Å; V174-V177 PolarHBondContact O-N 3.41Å; V174-V177 VanDerWaalsContact O-N 3.08Å; R175-V177 VanDerWaalsContact C-N 3.26Å; R175-V177 PolarHBondContact O-N 2.9Å; V177-D179 VanDerWaalsContact C-N 3.29Å; V177-D179 PolarHBondContact O-N 3.01Å; V177-E180 PolarHBondContact O-N 2.8Å; V177-E181 HydrophobicContact CG1-CG 4.23Å; V177-E181 WeakPolarHBondContact O-CB 3.41Å; V177-E181 WeakPolarHBondContact O-CG 3.29Å; V177-E181 PolarHBondContact O-N 3.19Å; V177-L205 HydrophobicContact CB-CD2 4.2Å; V177-L205 HydrophobicContact CG1-CD2 4.26Å; V177-L205 HydrophobicContact CG2-CD2 3.65Å; V177-L208 HydrophobicContact CB-CD2 4.12Å; V177-L208 HydrophobicContact CG1-CD2 3.83Å
178V97.2Very high96.3Very high0 Ų063.5 Ų63.50%031%0.309CS..Hα-helixtrans-65.7-33.1178.9-65.70000112.5V174 R175 K182 V183 Y185 L190 L208V174-V178 PolarHBondContact O-N 3.04Å; R175-V178 WeakPolarHBondContact O-CG2 3.38Å; R175-V178 PolarHBondContact O-N 3.35Å; V178-K182 WeakPolarHBondContact O-CA 3.49Å; V178-K182 PolarHBondContact O-N 3.21Å; V178-V183 HydrophobicContact CB-CB 4.05Å; V178-V183 HydrophobicContact CG1-CB 4.2Å; V178-V183 HydrophobicContact CG1-CG1 4.3Å; V178-V183 PolarHBondContact O-N 2.68Å; V178-Y185 HydrophobicContact CB-CD1 3.83Å; V178-Y185 HydrophobicContact CB-CE1 4.07Å; V178-Y185 HydrophobicContact CG1-CD1 4.41Å; V178-Y185 HydrophobicContact CG2-CD1 3.55Å; V178-Y185 HydrophobicContact CG2-CE1 3.36Å; V178-Y185 HydrophobicContact CG2-CG 4.4Å; V178-L190 HydrophobicContact CG1-CD2 4.11Å; V178-L190 HydrophobicContact CG2-CD1 4.26Å; V178-L208 HydrophobicContact CG1-CD1 3.61Å; V178-L208 HydrophobicContact CG1-CD2 3.88Å; V178-L208 HydrophobicContact CG1-CG 4.28Å
179D96.9Very high96.4Very high96 Ų9657.3 Ų57.351%0.51328%0.276SS..Hα-helixtrans-68.3-46.2175.7-67.1-23.1000111.2R175 V177 E181 K182R175-D179 WeakPolarHBondContact O-CB 3.45Å; R175-D179 PolarHBondContact O-N 2.89Å; V177-D179 VanDerWaalsContact C-N 3.29Å; V177-D179 PolarHBondContact O-N 3.01Å; D179-E181 VanDerWaalsContact C-N 3.34Å; D179-E181 PolarHBondContact O-N 2.98Å; D179-K182 PolarHBondContact O-N 3.14Å
180E96.5Very high96.6Very high103 Ų10355.5 Ų55.548%0.48127%0.267SS..Hα-helixtrans-64.2-37.4177.7-70.7-73.8159.900112.4Y14 Y176 V177 K182Y14-E180 HydrophobicContact CE1-CB 3.85Å; Y14-E180 HydrophobicContact CE1-CG 4.15Å; Y14-E180 WeakPolarHBondContact OH-CB 3.23Å; Y176-E180 HydrophobicContact CD1-CG 4.4Å; Y176-E180 HydrophobicContact CD2-CG 4.23Å; Y176-E180 HydrophobicContact CE1-CG 3.94Å; Y176-E180 HydrophobicContact CE2-CG 3.71Å; Y176-E180 VanDerWaalsContact CE2-OE1 3.26Å; Y176-E180 WeakPolarHBondContact CE2-OE1 3.34Å; Y176-E180 WeakPolarHBondContact O-CB 3.46Å; Y176-E180 WeakPolarHBondContact O-CG 3.42Å; Y176-E180 PolarHBondContact O-N 2.74Å; Y176-E180 VanDerWaalsContact O-N 3.1Å; Y176-E180 PolarHBondContact OH-OE1 3.01Å; V177-E180 PolarHBondContact O-N 2.8Å; E180-K182 VanDerWaalsContact C-N 3.33Å
181E95.6Very high96.7Very high53 Ų5360 Ų6025%0.24829%0.288CS..THydrogen-bonded Turntrans-86.6-2.1177.3-61-72.1-167.400113.1W10 K13 Y14 V177 D179 V183W10-E181 HydrophobicContact CD2-CG 4.42Å; W10-E181 HydrophobicContact CH2-CB 3.95Å; W10-E181 HydrophobicContact CH2-CG 3.75Å; W10-E181 HydrophobicContact CZ2-CB 3.93Å; W10-E181 HydrophobicContact CZ2-CG 3.46Å; W10-E181 VanDerWaalsContact CZ2-CG 3.46Å; W10-E181 HydrophobicContact CZ3-CG 4.3Å; W10-E181 PolarHBondContact NE1-OE1 3.49Å; K13-E181 WeakPolarHBondContact CE-OE1 3.22Å; K13-E181 IonicContact NZ-OE1 3.1Å; K13-E181 PolarHBondContact NZ-OE1 3.05Å; K13-E181 IonicContact NZ-OE2 3.52Å; K13-E181 PolarHBondContact NZ-OE2 2.82Å; K13-E181 VanDerWaalsContact NZ-OE2 3.12Å; Y14-E181 HydrophobicContact CE2-CG 4.02Å; Y14-E181 VanDerWaalsContact CE2-OE1 3.25Å; Y14-E181 WeakPolarHBondContact CE2-OE1 3.42Å; Y14-E181 WeakPolarHBondContact OH-CG 3.38Å; Y14-E181 PolarHBondContact OH-OE1 2.95Å; V177-E181 HydrophobicContact CG1-CG 4.23Å; V177-E181 WeakPolarHBondContact O-CB 3.41Å; V177-E181 WeakPolarHBondContact O-CG 3.29Å; V177-E181 PolarHBondContact O-N 3.19Å; D179-E181 VanDerWaalsContact C-N 3.34Å; D179-E181 PolarHBondContact O-N 2.98Å; E181-V183 HydrophobicContact CB-CG2 3.72Å; E181-V183 PolarHBondContact O-N 3.34Å
182K96.1Very high96.7Very high180 Ų18059.6 Ų59.678%0.78329%0.286SS*.THydrogen-bonded Turntrans53.238.7-178.3-55.7178.3-1771760113.6V178 D179 E180V178-K182 WeakPolarHBondContact O-CA 3.49Å; V178-K182 PolarHBondContact O-N 3.21Å; D179-K182 PolarHBondContact O-N 3.14Å; E180-K182 VanDerWaalsContact C-N 3.33Å
183V96.2Very high96.9Very high15 Ų1556.4 Ų56.49%0.09126%0.264CS..  trans-77.4135.8-178.2171.60000109.9W10 V178 E181 Y185 V212 V218W10-V183 HydrophobicContact CH2-CG2 3.94Å; V178-V183 HydrophobicContact CB-CB 4.05Å; V178-V183 HydrophobicContact CG1-CB 4.2Å; V178-V183 HydrophobicContact CG1-CG1 4.3Å; V178-V183 PolarHBondContact O-N 2.68Å; E181-V183 HydrophobicContact CB-CG2 3.72Å; E181-V183 PolarHBondContact O-N 3.34Å; V183-Y185 WeakPolarHBondContact O-CD1 3.42Å; V183-V212 HydrophobicContact CB-CG2 4.33Å; V183-V212 HydrophobicContact CG1-CG2 3.52Å; V183-V212 HydrophobicContact CG2-CG1 3.94Å; V183-V212 HydrophobicContact CG2-CG2 3.81Å; V183-V218 HydrophobicContact CG1-CB 4.47Å; V183-V218 HydrophobicContact CG1-CG2 3.66Å
184Q97.3Very high97Very high133 Ų13355.4 Ų55.462%0.62126%0.261SS*.EExtended strand (participates in β ladder)trans-75.6129.9169.9-64.5-61.1-43.400109.6V217 V218Q184-V217 HydrophobicContact CB-CG1 4.26Å; Q184-V217 HydrophobicContact CB-CG2 4.14Å; Q184-V217 CarbonylContact O-C 3.52Å; Q184-V217 WeakPolarHBondContact O-CA 3.38Å; Q184-V218 PolarHBondContact O-N 2.93Å
185Y97.8Very high96.9Very high86 Ų8658.7 Ų58.734%0.33729%0.288SS..EExtended strand (participates in β ladder)trans-147159.4-179.769.5-94.9000112.3V178 V183 L190 V218V178-Y185 HydrophobicContact CB-CD1 3.83Å; V178-Y185 HydrophobicContact CB-CE1 4.07Å; V178-Y185 HydrophobicContact CG1-CD1 4.41Å; V178-Y185 HydrophobicContact CG2-CD1 3.55Å; V178-Y185 HydrophobicContact CG2-CE1 3.36Å; V178-Y185 HydrophobicContact CG2-CG 4.4Å; V183-Y185 WeakPolarHBondContact O-CD1 3.42Å; Y185-L190 HydrophobicContact CD2-CD1 3.44Å; Y185-L190 VanDerWaalsContact CD2-CD1 3.44Å; Y185-L190 HydrophobicContact CD2-CD2 4.15Å; Y185-L190 HydrophobicContact CD2-CG 3.64Å; Y185-L190 HydrophobicContact CE1-CD1 4.49Å; Y185-L190 HydrophobicContact CE2-CD1 3.44Å; Y185-L190 VanDerWaalsContact CE2-CD1 3.44Å; Y185-L190 HydrophobicContact CE2-CG 4.14Å; Y185-L190 HydrophobicContact CG-CD1 4.03Å; Y185-L190 HydrophobicContact CG-CD2 4.1Å; Y185-L190 HydrophobicContact CG-CG 4.11Å; Y185-V218 CarbonylContact C-O 3.52Å; Y185-V218 WeakPolarHBondContact CA-O 3.44Å; Y185-V218 WeakPolarHBondContact CB-O 3.31Å
186D97.2Very high96.8Very high64 Ų6454.9 Ų54.934%0.34228%0.275SS..  trans-109.5162.5160.272.336.8000111.2T188 G189 V218 N219D186-T188 PolarHBondContact O-N 2.65Å; D186-T188 WeakPolarHBondContact OD1-CA 3.34Å; D186-T188 PolarHBondContact OD1-N 3.19Å; D186-T188 PolarHBondContact OD1-OG1 3.1Å; D186-G189 PolarHBondContact O-N 2.91Å; D186-G189 PolarHBondContact OD1-N 3.42Å; D186-V218 PolarHBondContact N-O 2.89Å; D186-N219 WeakPolarHBondContact OD2-CB 3.49Å
187T96.1Very high96.8Very high75 Ų7550.4 Ų50.446%0.4626%0.258SS..Hα-helixtrans-60.4-36.4-177.4-51.80000112G189 L190 E191T187-G189 PolarHBondContact O-N 2.98Å; T187-L190 PolarHBondContact O-N 2.88Å; T187-E191 HydrophobicContact CG2-CG 4.28Å; T187-E191 WeakPolarHBondContact CG2-OE1 3.25Å; T187-E191 WeakPolarHBondContact O-CG 3.38Å; T187-E191 PolarHBondContact O-N 3.08Å
188T96.1Very high96.7Very high51 Ų5153.1 Ų53.131%0.31329%0.286SS..Hα-helixtrans-65.7-40.2-177.266.30000112D186 L190 E191 D192D186-T188 PolarHBondContact O-N 2.65Å; D186-T188 WeakPolarHBondContact OD1-CA 3.34Å; D186-T188 PolarHBondContact OD1-N 3.19Å; D186-T188 PolarHBondContact OD1-OG1 3.1Å; T188-L190 VanDerWaalsContact C-N 3.34Å; T188-L190 PolarHBondContact O-N 3.37Å; T188-E191 PolarHBondContact O-N 2.94Å; T188-D192 WeakPolarHBondContact O-CB 3.47Å; T188-D192 PolarHBondContact O-N 3.37Å
189G97.7Very high96.6Very high0 Ų053.6 Ų53.60%029%0.291CS..Hα-helixtrans-62.6-40.6177.200000112.1D186 T187 I193D186-G189 PolarHBondContact O-N 2.91Å; D186-G189 PolarHBondContact OD1-N 3.42Å; T187-G189 PolarHBondContact O-N 2.98Å; G189-I193 VanDerWaalsContact O-CG1 3.23Å; G189-I193 WeakPolarHBondContact O-CG1 3.08Å; G189-I193 PolarHBondContact O-N 2.81Å
190L98.2Very high96.6Very high1 Ų150.2 Ų50.21%0.00527%0.273CS..Hα-helixtrans-69.5-41.1177.4-56.5-165.5000112.3L171 V174 R175 V178 Y185 T187 T188 I193 V194 L208 V218L171-L190 HydrophobicContact CD1-CB 3.66Å; L171-L190 HydrophobicContact CD1-CD1 4.48Å; V174-L190 HydrophobicContact CG1-CB 4.36Å; V174-L190 HydrophobicContact CG1-CD1 4.39Å; V174-L190 HydrophobicContact CG1-CD2 3.8Å; V174-L190 HydrophobicContact CG1-CG 4.4Å; R175-L190 HydrophobicContact CG-CD1 3.7Å; V178-L190 HydrophobicContact CG1-CD2 4.11Å; V178-L190 HydrophobicContact CG2-CD1 4.26Å; Y185-L190 HydrophobicContact CD2-CD1 3.44Å; Y185-L190 VanDerWaalsContact CD2-CD1 3.44Å; Y185-L190 HydrophobicContact CD2-CD2 4.15Å; Y185-L190 HydrophobicContact CD2-CG 3.64Å; Y185-L190 HydrophobicContact CE1-CD1 4.49Å; Y185-L190 HydrophobicContact CE2-CD1 3.44Å; Y185-L190 VanDerWaalsContact CE2-CD1 3.44Å; Y185-L190 HydrophobicContact CE2-CG 4.14Å; Y185-L190 HydrophobicContact CG-CD1 4.03Å; Y185-L190 HydrophobicContact CG-CD2 4.1Å; Y185-L190 HydrophobicContact CG-CG 4.11Å; T187-L190 PolarHBondContact O-N 2.88Å; T188-L190 VanDerWaalsContact C-N 3.34Å; T188-L190 PolarHBondContact O-N 3.37Å; L190-I193 PolarHBondContact O-N 3.02Å; L190-V194 WeakPolarHBondContact O-CG2 3.4Å; L190-V194 PolarHBondContact O-N 3.24Å; L190-L208 HydrophobicContact CD2-CD1 4.35Å; L190-V218 HydrophobicContact CD2-CG1 3.86Å
191E97.6Very high96.6Very high93 Ų9346.6 Ų46.644%0.43526%0.256SS..Hα-helixtrans-62.2-43.3175.7-73.1173.5173.500111.5T187 T188 V194 A195T187-E191 HydrophobicContact CG2-CG 4.28Å; T187-E191 WeakPolarHBondContact CG2-OE1 3.25Å; T187-E191 WeakPolarHBondContact O-CG 3.38Å; T187-E191 PolarHBondContact O-N 3.08Å; T188-E191 PolarHBondContact O-N 2.94Å; E191-V194 PolarHBondContact O-N 3.12Å; E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.74Å
192D97.3Very high96.7Very high10 Ų1049.2 Ų49.25%0.05326%0.264CS..Hα-helixtrans-66.1-40.2178.3-65.9-24.5000111.1T188 V194 A195 L196 R220 V223 Y224T188-D192 WeakPolarHBondContact O-CB 3.47Å; T188-D192 PolarHBondContact O-N 3.37Å; D192-V194 VanDerWaalsContact C-N 3.34Å; D192-V194 PolarHBondContact O-N 2.9Å; D192-A195 PolarHBondContact O-N 3.27Å; D192-L196 VanDerWaalsContact O-CB 3.29Å; D192-L196 WeakPolarHBondContact O-CB 3.29Å; D192-L196 WeakPolarHBondContact O-CD1 3.31Å; D192-L196 WeakPolarHBondContact O-CG 3.39Å; D192-L196 PolarHBondContact O-N 3.45Å; D192-R220 IonicContact OD1-CZ 3.77Å; D192-R220 IonicContact OD1-NE 2.77Å; D192-R220 IonicContact OD1-NH2 3.1Å; D192-R220 PolarHBondContact OD1-NH2 3.26Å; D192-R220 VanDerWaalsContact OD2-CB 3.27Å; D192-R220 WeakPolarHBondContact OD2-CB 3.24Å; D192-R220 VanDerWaalsContact OD2-CG 3.24Å; D192-R220 WeakPolarHBondContact OD2-CG 3.23Å; D192-R220 IonicContact OD2-CZ 3.17Å; D192-R220 IonicContact OD2-NE 2.81Å; D192-R220 PolarHBondContact OD2-NE 2.85Å; D192-R220 IonicContact OD2-NH2 3.68Å; D192-V223 HydrophobicContact CB-CG1 4.29Å; D192-Y224 HydrophobicContact CB-CE2 3.89Å; D192-Y224 WeakPolarHBondContact OD2-CE2 3.47Å
193I98.3Very high96.8Very high0 Ų046.4 Ų46.40%025%0.248CC..Hα-helixtrans-58.2-47.2172.7-73.1168.3000111V174 G189 L190 L196 S197 A204 I207 L208 V218 V223V174-I193 HydrophobicContact CG2-CG2 4.42Å; G189-I193 VanDerWaalsContact O-CG1 3.23Å; G189-I193 WeakPolarHBondContact O-CG1 3.08Å; G189-I193 PolarHBondContact O-N 2.81Å; L190-I193 PolarHBondContact O-N 3.02Å; I193-L196 PolarHBondContact O-N 3.15Å; I193-S197 WeakPolarHBondContact O-CB 3.23Å; I193-S197 PolarHBondContact O-N 3.35Å; I193-A204 HydrophobicContact CG2-CB 4.13Å; I193-A204 WeakPolarHBondContact CG2-O 3.27Å; I193-I207 HydrophobicContact CG1-CG2 3.87Å; I193-I207 HydrophobicContact CG2-CB 4.48Å; I193-L208 HydrophobicContact CD1-CB 4.04Å; I193-L208 HydrophobicContact CD1-CD1 3.51Å; I193-L208 HydrophobicContact CD1-CG 4.39Å; I193-V218 HydrophobicContact CD1-CG1 3.56Å; I193-V223 HydrophobicContact CD1-CG2 3.88Å; I193-V223 HydrophobicContact CG1-CG1 3.89Å; I193-V223 HydrophobicContact CG1-CG2 3.71Å
194V97.8Very high96.9Very high10 Ų1045.7 Ų45.76%0.06124%0.244CC..Hα-helixtrans-63.9-44.1179.81690000110.7A170 L171 V174 L190 E191 D192 S197A170-V194 HydrophobicContact CB-CG1 3.96Å; A170-V194 HydrophobicContact CB-CG2 4.14Å; L171-V194 HydrophobicContact CB-CG2 4Å; L171-V194 HydrophobicContact CD1-CG2 4.1Å; V174-V194 HydrophobicContact CG2-CG2 4.17Å; L190-V194 WeakPolarHBondContact O-CG2 3.4Å; L190-V194 PolarHBondContact O-N 3.24Å; E191-V194 PolarHBondContact O-N 3.12Å; D192-V194 VanDerWaalsContact C-N 3.34Å; D192-V194 PolarHBondContact O-N 2.9Å; V194-S197 PolarHBondContact O-N 3.02Å; V194-S197 PolarHBondContact O-OG 3.1Å
195A95.1Very high96.9Very high69 Ų6939.7 Ų39.757%0.5722%0.216SC*.Hα-helixtrans-60.4-51.8176.500000111.5E191 D192 S197 G198E191-A195 WeakPolarHBondContact O-CB 3.36Å; E191-A195 PolarHBondContact O-N 2.74Å; D192-A195 PolarHBondContact O-N 3.27Å; A195-S197 PolarHBondContact O-N 2.94Å; A195-G198 PolarHBondContact O-N 3.24Å; A195-G198 VanDerWaalsContact O-N 3.14Å
196L95.4Very high96.9Very high18 Ų1839 Ų399%0.09422%0.218CC..Hα-helixtrans-62.4-27.6178.8-71.2166.9000112.7D192 I193 G198 R203 I207 V223 Y224 V227 Y229D192-L196 VanDerWaalsContact O-CB 3.29Å; D192-L196 WeakPolarHBondContact O-CB 3.29Å; D192-L196 WeakPolarHBondContact O-CD1 3.31Å; D192-L196 WeakPolarHBondContact O-CG 3.39Å; D192-L196 PolarHBondContact O-N 3.45Å; I193-L196 PolarHBondContact O-N 3.15Å; L196-G198 VanDerWaalsContact C-N 3.29Å; L196-G198 PolarHBondContact O-N 3.44Å; L196-R203 PolarHBondContact O-NE 3.31Å; L196-R203 PolarHBondContact O-NH1 2.92Å; L196-R203 PolarHBondContact O-NH2 2.66Å; L196-I207 HydrophobicContact CB-CD1 3.98Å; L196-V223 HydrophobicContact CD1-CG1 3.65Å; L196-Y224 HydrophobicContact CD1-CE1 4.26Å; L196-Y224 HydrophobicContact CD2-CE1 4.17Å; L196-V227 HydrophobicContact CD1-CG1 4.44Å; L196-V227 HydrophobicContact CD1-CG2 3.83Å; L196-Y229 HydrophobicContact CD2-CD1 3.81Å; L196-Y229 HydrophobicContact CD2-CE1 4.34Å; L196-Y229 HydrophobicContact CD2-CG 3.92Å
197S96.4Very high96.9Very high2 Ų236.7 Ų36.71%0.01421%0.205CC..Hα-helixtrans-69.3-24.5177.880.90000114I193 V194 A195 G199 D200I193-S197 WeakPolarHBondContact O-CB 3.23Å; I193-S197 PolarHBondContact O-N 3.35Å; V194-S197 PolarHBondContact O-N 3.02Å; V194-S197 PolarHBondContact O-OG 3.1Å; A195-S197 PolarHBondContact O-N 2.94Å; S197-G199 PolarHBondContact O-N 2.88Å; S197-G199 PolarHBondContact OG-N 3.41Å; S197-D200 WeakPolarHBondContact CB-O 3.45Å; S197-D200 WeakPolarHBondContact O-CB 3.22Å; S197-D200 PolarHBondContact O-N 3.33Å; S197-D200 VanDerWaalsContact O-N 3.11Å
198G93.7Very high97Very high57 Ų5733.1 Ų33.159%0.58818%0.184SC*.THydrogen-bonded Turntrans58.527-175.400000114.2A195 L196A195-G198 PolarHBondContact O-N 3.24Å; A195-G198 VanDerWaalsContact O-N 3.14Å; L196-G198 VanDerWaalsContact C-N 3.29Å; L196-G198 PolarHBondContact O-N 3.44Å
199G95.6Very high97.1Very high9 Ų932.2 Ų32.29%0.09318%0.176CC..THydrogen-bonded Turntrans82.710.5-177.400000114.9L165 S197L165-G199 WeakPolarHBondContact CB-O 3.24Å; L165-G199 VanDerWaalsContact CG-O 3.27Å; L165-G199 WeakPolarHBondContact CG-O 3.4Å; L165-G199 PolarHBondContact N-O 3.44Å; L165-G199 VanDerWaalsContact N-O 3.11Å; S197-G199 PolarHBondContact O-N 2.88Å; S197-G199 PolarHBondContact OG-N 3.41Å
200D97.5Very high97.1Very high26 Ų2635 Ų3514%0.13920%0.195CC..  trans-91.2109.9169.4-178.6-39000109.9G51 S197 R202 R203 A204G51-D200 WeakPolarHBondContact CA-OD1 3.45Å; S197-D200 WeakPolarHBondContact CB-O 3.45Å; S197-D200 WeakPolarHBondContact O-CB 3.22Å; S197-D200 PolarHBondContact O-N 3.33Å; S197-D200 VanDerWaalsContact O-N 3.11Å; D200-R202 VanDerWaalsContact C-N 3.31Å; D200-R202 PolarHBondContact O-N 3.18Å; D200-R202 WeakPolarHBondContact OD1-CA 3.32Å; D200-R202 VanDerWaalsContact OD1-CB 3.24Å; D200-R202 WeakPolarHBondContact OD1-CB 3.48Å; D200-R202 PolarHBondContact OD1-N 2.96Å; D200-R203 HydrophobicContact CB-CB 3.87Å; D200-R203 PolarHBondContact O-N 3.39Å; D200-R203 PolarHBondContact OD1-N 2.94Å; D200-A204 PolarHBondContact O-N 3.32Å
201M96.7Very high97.1Very high26 Ų2635 Ų3513%0.12820%0.195CC..Hα-helixtrans-67.3-32.1-177.9-162.162.2-123.500113.1G51 L165 R173 V174 R203 A204 L205G51-M201 PolarHBondContact O-N 3.04Å; L165-M201 HydrophobicContact CD1-CB 3.66Å; L165-M201 HydrophobicContact CD1-CG 4.27Å; L165-M201 HydrophobicContact CD1-SD 4.1Å; R173-M201 HydrophobicContact CB-CE 4.04Å; R173-M201 HydrophobicContact CB-SD 3.79Å; R173-M201 HydrophobicContact CG-CE 3.91Å; R173-M201 HydrophobicContact CG-CG 4.4Å; R173-M201 HydrophobicContact CG-SD 3.83Å; V174-M201 HydrophobicContact CG2-CE 3.77Å; M201-R203 VanDerWaalsContact C-N 3.33Å; M201-A204 HydrophobicContact CE-CB 3.78Å; M201-A204 PolarHBondContact O-N 3.38Å; M201-A204 HydrophobicContact SD-CB 4.49Å; M201-L205 HydrophobicContact CE-CD1 4.36Å; M201-L205 HydrophobicContact CE-CD2 3.62Å; M201-L205 HydrophobicContact CE-CG 3.6Å; M201-L205 WeakPolarHBondContact O-CG 3.47Å; M201-L205 PolarHBondContact O-N 3.14Å
202R97.1Very high97Very high108 Ų10831.5 Ų31.541%0.40818%0.181SC..Hα-helixtrans-64.5-45177178.6-172.8-58.8128.3-10.5109.1V11 D200 L205 N206V11-R202 HydrophobicContact CB-CG 4.48Å; V11-R202 HydrophobicContact CG1-CB 4.39Å; V11-R202 HydrophobicContact CG1-CG 3.78Å; V11-R202 HydrophobicContact CG2-CG 3.82Å; D200-R202 VanDerWaalsContact C-N 3.31Å; D200-R202 PolarHBondContact O-N 3.18Å; D200-R202 WeakPolarHBondContact OD1-CA 3.32Å; D200-R202 VanDerWaalsContact OD1-CB 3.24Å; D200-R202 WeakPolarHBondContact OD1-CB 3.48Å; D200-R202 PolarHBondContact OD1-N 2.96Å; R202-L205 PolarHBondContact O-N 2.95Å; R202-N206 WeakPolarHBondContact O-CB 3.25Å; R202-N206 VanDerWaalsContact O-CG 3.25Å; R202-N206 PolarHBondContact O-N 3.19Å; R202-N206 PolarHBondContact O-ND2 3.14Å
203R97.4Very high96.9Very high122 Ų12238.1 Ų38.146%0.4621%0.213SC..Hα-helixtrans-61.6-46.9174.7-173.6173.5178.7-175.40.9111.1L196 D200 M201 L205 N206 I207L196-R203 PolarHBondContact O-NE 3.31Å; L196-R203 PolarHBondContact O-NH1 2.92Å; L196-R203 PolarHBondContact O-NH2 2.66Å; D200-R203 HydrophobicContact CB-CB 3.87Å; D200-R203 PolarHBondContact O-N 3.39Å; D200-R203 PolarHBondContact OD1-N 2.94Å; M201-R203 VanDerWaalsContact C-N 3.33Å; R203-L205 PolarHBondContact O-N 3.45Å; R203-N206 PolarHBondContact O-N 3.44Å; R203-I207 HydrophobicContact CG-CD1 3.9Å; R203-I207 HydrophobicContact CG-CG1 4.39Å; R203-I207 VanDerWaalsContact O-CG1 3.31Å; R203-I207 WeakPolarHBondContact O-CG1 2.94Å; R203-I207 PolarHBondContact O-N 3.11Å
204A98Very high96.8Very high0 Ų041 Ų410%024%0.237CC..Hα-helixtrans-56.2-48.217700000112.3V174 I193 D200 M201 I207 L208V174-A204 HydrophobicContact CG2-CB 4.27Å; I193-A204 HydrophobicContact CG2-CB 4.13Å; I193-A204 WeakPolarHBondContact CG2-O 3.27Å; D200-A204 PolarHBondContact O-N 3.32Å; M201-A204 HydrophobicContact CE-CB 3.78Å; M201-A204 PolarHBondContact O-N 3.38Å; M201-A204 HydrophobicContact SD-CB 4.49Å; A204-I207 PolarHBondContact O-N 3.23Å; A204-L208 VanDerWaalsContact O-CB 3.29Å; A204-L208 WeakPolarHBondContact O-CB 3.23Å; A204-L208 PolarHBondContact O-N 3.23Å
205L97.8Very high96.8Very high6 Ų644.7 Ų44.73%0.03125%0.252CS..Hα-helixtrans-67.5-35.9178.2-67.7-178.9000113V11 V177 M201 R202 R203 L208 Q209V11-L205 HydrophobicContact CG2-CB 4.03Å; V177-L205 HydrophobicContact CB-CD2 4.2Å; V177-L205 HydrophobicContact CG1-CD2 4.26Å; V177-L205 HydrophobicContact CG2-CD2 3.65Å; M201-L205 HydrophobicContact CE-CD1 4.36Å; M201-L205 HydrophobicContact CE-CD2 3.62Å; M201-L205 HydrophobicContact CE-CG 3.6Å; M201-L205 WeakPolarHBondContact O-CG 3.47Å; M201-L205 PolarHBondContact O-N 3.14Å; R202-L205 PolarHBondContact O-N 2.95Å; R203-L205 PolarHBondContact O-N 3.45Å; L205-L208 HydrophobicContact CD2-CD2 4.38Å; L205-L208 PolarHBondContact O-N 3.35Å; L205-Q209 VanDerWaalsContact O-CB 3.24Å; L205-Q209 WeakPolarHBondContact O-CB 3.32Å; L205-Q209 PolarHBondContact O-N 3.3Å
206N97.7Very high96.8Very high71 Ų7147 Ų4738%0.3826%0.255SS..Hα-helixtrans-64.9-44.7175-77.7-16.6000111.6V11 R202 R203 S210V11-N206 WeakPolarHBondContact CG2-OD1 3.23Å; R202-N206 WeakPolarHBondContact O-CB 3.25Å; R202-N206 VanDerWaalsContact O-CG 3.25Å; R202-N206 PolarHBondContact O-N 3.19Å; R202-N206 PolarHBondContact O-ND2 3.14Å; R203-N206 PolarHBondContact O-N 3.44Å; N206-S210 WeakPolarHBondContact O-CB 3.49Å; N206-S210 PolarHBondContact O-N 3.14Å; N206-S210 PolarHBondContact O-OG 2.9Å
207I97.9Very high96.9Very high16 Ų1648.8 Ų48.88%0.08227%0.267CS..Hα-helixtrans-63.2-46.8176.7-64.3168.5000109.8I193 L196 R203 A204 S210 T211 V223 V227I193-I207 HydrophobicContact CG1-CG2 3.87Å; I193-I207 HydrophobicContact CG2-CB 4.48Å; L196-I207 HydrophobicContact CB-CD1 3.98Å; R203-I207 HydrophobicContact CG-CD1 3.9Å; R203-I207 HydrophobicContact CG-CG1 4.39Å; R203-I207 VanDerWaalsContact O-CG1 3.31Å; R203-I207 WeakPolarHBondContact O-CG1 2.94Å; R203-I207 PolarHBondContact O-N 3.11Å; A204-I207 PolarHBondContact O-N 3.23Å; I207-S210 PolarHBondContact O-N 2.99Å; I207-T211 WeakPolarHBondContact O-CB 3.41Å; I207-T211 PolarHBondContact O-N 3.32Å; I207-T211 PolarHBondContact O-OG1 3.31Å; I207-V223 HydrophobicContact CG2-CG1 4.2Å; I207-V227 HydrophobicContact CB-CG1 4.34Å; I207-V227 HydrophobicContact CD1-CG1 4.1Å; I207-V227 HydrophobicContact CG1-CG1 3.85Å; I207-V227 HydrophobicContact CG2-CG1 3.6Å
208L98.3Very high97Very high0 Ų048.7 Ų48.70%027%0.266CS..Hα-helixtrans-57.6-53.2178.7-178.769.9000111.3W10 V174 V177 V178 L190 I193 A204 L205 S210 T211 V212 V218W10-L208 HydrophobicContact CE3-CD2 3.9Å; W10-L208 HydrophobicContact CE3-CG 4.15Å; W10-L208 HydrophobicContact CZ3-CD2 3.63Å; W10-L208 HydrophobicContact CZ3-CG 3.67Å; V174-L208 HydrophobicContact CG1-CD1 4.36Å; V174-L208 HydrophobicContact CG1-CD2 4.21Å; V177-L208 HydrophobicContact CB-CD2 4.12Å; V177-L208 HydrophobicContact CG1-CD2 3.83Å; V178-L208 HydrophobicContact CG1-CD1 3.61Å; V178-L208 HydrophobicContact CG1-CD2 3.88Å; V178-L208 HydrophobicContact CG1-CG 4.28Å; L190-L208 HydrophobicContact CD2-CD1 4.35Å; I193-L208 HydrophobicContact CD1-CB 4.04Å; I193-L208 HydrophobicContact CD1-CD1 3.51Å; I193-L208 HydrophobicContact CD1-CG 4.39Å; A204-L208 VanDerWaalsContact O-CB 3.29Å; A204-L208 WeakPolarHBondContact O-CB 3.23Å; A204-L208 PolarHBondContact O-N 3.23Å; L205-L208 HydrophobicContact CD2-CD2 4.38Å; L205-L208 PolarHBondContact O-N 3.35Å; L208-S210 PolarHBondContact O-N 3.1Å; L208-T211 PolarHBondContact O-N 3.47Å; L208-V212 WeakPolarHBondContact O-CG2 3.09Å; L208-V212 PolarHBondContact O-N 2.93Å; L208-V218 HydrophobicContact CD1-CG1 4.16Å; L208-V218 HydrophobicContact CD1-CG2 3.85Å
209Q97.5Very high97.2Very high32 Ų3247.9 Ų47.915%0.1525%0.248CC..Hα-helixtrans-60.6-45.7-179-174.217413.400111.4W10 L205 T211 V212 M213W10-Q209 HydrophobicContact CB-CB 4.31Å; W10-Q209 HydrophobicContact CB-CG 4.5Å; W10-Q209 HydrophobicContact CD2-CB 3.73Å; W10-Q209 HydrophobicContact CD2-CG 3.77Å; W10-Q209 HydrophobicContact CE3-CB 3.72Å; W10-Q209 HydrophobicContact CE3-CG 4.23Å; W10-Q209 HydrophobicContact CG-CB 4.03Å; W10-Q209 HydrophobicContact CG-CG 3.9Å; W10-Q209 HydrophobicContact CZ3-CB 4.36Å; L205-Q209 VanDerWaalsContact O-CB 3.24Å; L205-Q209 WeakPolarHBondContact O-CB 3.32Å; L205-Q209 PolarHBondContact O-N 3.3Å; Q209-T211 VanDerWaalsContact C-N 3.34Å; Q209-T211 PolarHBondContact O-N 3.11Å; Q209-V212 PolarHBondContact O-N 3.45Å; Q209-M213 HydrophobicContact CG-CG 4.37Å; Q209-M213 HydrophobicContact CG-SD 3.86Å; Q209-M213 WeakPolarHBondContact O-CB 3.5Å; Q209-M213 VanDerWaalsContact O-CG 3.25Å; Q209-M213 WeakPolarHBondContact O-CG 3.44Å; Q209-M213 PolarHBondContact O-N 2.98Å
210S97.1Very high97.2Very high59 Ų5951.6 Ų51.641%0.41326%0.259SS..Hα-helixtrans-62.4-40.7178.3-630000112.3N206 I207 L208 V212 M213 A214 C226N206-S210 WeakPolarHBondContact O-CB 3.49Å; N206-S210 PolarHBondContact O-N 3.14Å; N206-S210 PolarHBondContact O-OG 2.9Å; I207-S210 PolarHBondContact O-N 2.99Å; L208-S210 PolarHBondContact O-N 3.1Å; S210-V212 PolarHBondContact O-N 3.3Å; S210-M213 PolarHBondContact O-N 3.29Å; S210-A214 WeakPolarHBondContact O-CB 3.15Å; S210-A214 PolarHBondContact O-N 2.91Å; S210-C226 VanDerWaalsContact C-SG 3.59Å; S210-C226 WeakPolarHBondContact CB-SG 3.41Å
211T98Very high97.2Very high0 Ų055.2 Ų55.20%028%0.275CS..Hα-helixtrans-62.3-45177.4-55.80000110.8I207 L208 Q209 A214 F215 V218 N222 V223I207-T211 WeakPolarHBondContact O-CB 3.41Å; I207-T211 PolarHBondContact O-N 3.32Å; I207-T211 PolarHBondContact O-OG1 3.31Å; L208-T211 PolarHBondContact O-N 3.47Å; Q209-T211 VanDerWaalsContact C-N 3.34Å; Q209-T211 PolarHBondContact O-N 3.11Å; T211-A214 PolarHBondContact O-N 3.01Å; T211-F215 HydrophobicContact CG2-CD2 4.42Å; T211-F215 PolarHBondContact O-N 3.1Å; T211-V218 HydrophobicContact CG2-CG2 4.18Å; T211-N222 HydrophobicContact CG2-CB 3.88Å; T211-V223 HydrophobicContact CG2-CG2 3.98Å
212V97.2Very high97.2Very high21 Ų2155.2 Ų55.213%0.12728%0.276CS..Hα-helixtrans-65.1-44.1177.8174.10000111.3W10 V183 L208 Q209 S210 A214 N216 V218W10-V212 HydrophobicContact CH2-CB 4.05Å; W10-V212 HydrophobicContact CH2-CG1 4.06Å; W10-V212 HydrophobicContact CH2-CG2 3.92Å; W10-V212 HydrophobicContact CZ2-CG1 4.47Å; W10-V212 HydrophobicContact CZ3-CG2 4.3Å; V183-V212 HydrophobicContact CB-CG2 4.33Å; V183-V212 HydrophobicContact CG1-CG2 3.52Å; V183-V212 HydrophobicContact CG2-CG1 3.94Å; V183-V212 HydrophobicContact CG2-CG2 3.81Å; L208-V212 WeakPolarHBondContact O-CG2 3.09Å; L208-V212 PolarHBondContact O-N 2.93Å; Q209-V212 PolarHBondContact O-N 3.45Å; S210-V212 PolarHBondContact O-N 3.3Å; V212-A214 VanDerWaalsContact C-N 3.28Å; V212-A214 PolarHBondContact O-N 3.47Å; V212-N216 VanDerWaalsContact O-CA 3.25Å; V212-N216 WeakPolarHBondContact O-CA 3.17Å; V212-N216 PolarHBondContact O-N 2.85Å; V212-V218 HydrophobicContact CG2-CG2 3.5Å; V212-V218 VanDerWaalsContact CG2-CG2 3.5Å
213M95.6Very high97.2Very high148 Ų14850.1 Ų50.173%0.72926%0.257SS*.Hα-helixtrans-63.2-33.8178.3-72.8175.664.800112.8Q209 S210Q209-M213 HydrophobicContact CG-CG 4.37Å; Q209-M213 HydrophobicContact CG-SD 3.86Å; Q209-M213 WeakPolarHBondContact O-CB 3.5Å; Q209-M213 VanDerWaalsContact O-CG 3.25Å; Q209-M213 WeakPolarHBondContact O-CG 3.44Å; Q209-M213 PolarHBondContact O-N 2.98Å; S210-M213 PolarHBondContact O-N 3.29Å
214A95.8Very high97.2Very high62 Ų6245.3 Ų45.351%0.51224%0.239SC..Hα-helixtrans-84.6-39-178.700000113.4S210 T211 V212S210-A214 WeakPolarHBondContact O-CB 3.15Å; S210-A214 PolarHBondContact O-N 2.91Å; T211-A214 PolarHBondContact O-N 3.01Å; V212-A214 VanDerWaalsContact C-N 3.28Å; V212-A214 PolarHBondContact O-N 3.47Å
215F96.8Very high96.9Very high86 Ų8648.1 Ų48.138%0.37726%0.262SS..Hα-helixtrans-129.4-6.5-166.8-56.2-74.6000115.3T211 V217 N222 A225 C226T211-F215 HydrophobicContact CG2-CD2 4.42Å; T211-F215 PolarHBondContact O-N 3.1Å; F215-V217 PolarHBondContact O-N 3.45Å; F215-N222 HydrophobicContact CB-CB 3.88Å; F215-N222 WeakPolarHBondContact CB-ND2 3.33Å; F215-N222 HydrophobicContact CD2-CB 3.66Å; F215-N222 HydrophobicContact CE2-CB 4.34Å; F215-N222 WeakPolarHBondContact CE2-O 3.5Å; F215-N222 HydrophobicContact CG-CB 3.8Å; F215-A225 HydrophobicContact CE2-CB 4.24Å; F215-A225 HydrophobicContact CZ-CB 3.92Å; F215-C226 HydrophobicContact CE2-CB 4.09Å
216N94.9Very high96.7Very high119 Ų11949.9 Ų49.964%0.63627%0.274SS*.SBendtrans61.6-15.1-179.2-15950.9000116.4V212V212-N216 VanDerWaalsContact O-CA 3.25Å; V212-N216 WeakPolarHBondContact O-CA 3.17Å; V212-N216 PolarHBondContact O-N 2.85Å
217V97.3Very high96.4Very high55 Ų5549 Ų4933%0.33327%0.271SS..EExtended strand (participates in β ladder)trans-125.9134.1178-177.20000109.4Q184 F215 N222Q184-V217 HydrophobicContact CB-CG1 4.26Å; Q184-V217 HydrophobicContact CB-CG2 4.14Å; Q184-V217 CarbonylContact O-C 3.52Å; Q184-V217 WeakPolarHBondContact O-CA 3.38Å; F215-V217 PolarHBondContact O-N 3.45Å; V217-N222 PolarHBondContact O-ND2 2.81Å
218V98.4Very high96.1Very high0 Ų049.8 Ų49.80%028%0.283CS..EExtended strand (participates in β ladder)trans-99.2103.9179.4-179.60000109.9V183 Q184 Y185 D186 L190 I193 L208 T211 V212 V223V183-V218 HydrophobicContact CG1-CB 4.47Å; V183-V218 HydrophobicContact CG1-CG2 3.66Å; Q184-V218 PolarHBondContact O-N 2.93Å; Y185-V218 CarbonylContact C-O 3.52Å; Y185-V218 WeakPolarHBondContact CA-O 3.44Å; Y185-V218 WeakPolarHBondContact CB-O 3.31Å; D186-V218 PolarHBondContact N-O 2.89Å; L190-V218 HydrophobicContact CD2-CG1 3.86Å; I193-V218 HydrophobicContact CD1-CG1 3.56Å; L208-V218 HydrophobicContact CD1-CG1 4.16Å; L208-V218 HydrophobicContact CD1-CG2 3.85Å; T211-V218 HydrophobicContact CG2-CG2 4.18Å; V212-V218 HydrophobicContact CG2-CG2 3.5Å; V212-V218 VanDerWaalsContact CG2-CG2 3.5Å; V218-V223 HydrophobicContact CG1-CG2 3.95Å
219N97.9Very high95.9Very high39 Ų3951.7 Ų51.721%0.20929%0.291CS..  trans-137.6171.1173.160.629.9000109.5D186 E221 N222 V223D186-N219 WeakPolarHBondContact OD2-CB 3.49Å; N219-E221 VanDerWaalsContact C-N 3.32Å; N219-E221 PolarHBondContact O-N 3.34Å; N219-E221 PolarHBondContact OD1-N 3.39Å; N219-N222 PolarHBondContact O-N 2.96Å; N219-N222 VanDerWaalsContact OD1-CB 3.24Å; N219-N222 WeakPolarHBondContact OD1-CB 3.35Å; N219-N222 PolarHBondContact OD1-N 3.42Å; N219-N222 PolarHBondContact OD1-ND2 3.01Å; N219-V223 WeakPolarHBondContact O-CB 3.24Å; N219-V223 VanDerWaalsContact O-CG2 3.24Å; N219-V223 WeakPolarHBondContact O-CG2 3.48Å; N219-V223 PolarHBondContact O-N 3.3Å
220R97.1Very high95.7Very high87 Ų8750.2 Ų50.233%0.32828%0.284SS..Hα-helixtrans-49.2-51.5178.5174.4165.1-69.21691.7112.6D192 N222 V223 Y224D192-R220 IonicContact OD1-CZ 3.77Å; D192-R220 IonicContact OD1-NE 2.77Å; D192-R220 IonicContact OD1-NH2 3.1Å; D192-R220 PolarHBondContact OD1-NH2 3.26Å; D192-R220 VanDerWaalsContact OD2-CB 3.27Å; D192-R220 WeakPolarHBondContact OD2-CB 3.24Å; D192-R220 VanDerWaalsContact OD2-CG 3.24Å; D192-R220 WeakPolarHBondContact OD2-CG 3.23Å; D192-R220 IonicContact OD2-CZ 3.17Å; D192-R220 IonicContact OD2-NE 2.81Å; D192-R220 PolarHBondContact OD2-NE 2.85Å; D192-R220 IonicContact OD2-NH2 3.68Å; R220-N222 PolarHBondContact O-N 3.32Å; R220-V223 PolarHBondContact O-N 3.07Å; R220-Y224 HydrophobicContact CG-CD2 3.77Å; R220-Y224 HydrophobicContact CG-CE2 3.95Å; R220-Y224 VanDerWaalsContact O-CD2 3.3Å; R220-Y224 WeakPolarHBondContact O-CD2 3.38Å; R220-Y224 PolarHBondContact O-N 3.43Å
221E95.9Very high95.6Very high102 Ų10248.9 Ų48.948%0.47727%0.271SS..Hα-helixtrans-57.5-49.6-176-17262.1-161.900111.7N219 A225 K231N219-E221 VanDerWaalsContact C-N 3.32Å; N219-E221 PolarHBondContact O-N 3.34Å; N219-E221 PolarHBondContact OD1-N 3.39Å; E221-A225 VanDerWaalsContact O-CB 3.23Å; E221-A225 WeakPolarHBondContact O-CB 3.21Å; E221-A225 PolarHBondContact O-N 3.31Å; E221-K231 IonicContact OE1-NZ 3.2Å; E221-K231 IonicContact OE2-NZ 2.91Å; E221-K231 PolarHBondContact OE2-NZ 3.5Å
222N97.3Very high95.3Very high27 Ų2751.5 Ų51.514%0.14429%0.288CS..Hα-helixtrans-69.4-36.6-177.8-66.9-12.8000112.2T211 F215 V217 N219 R220 C226T211-N222 HydrophobicContact CG2-CB 3.88Å; F215-N222 HydrophobicContact CB-CB 3.88Å; F215-N222 WeakPolarHBondContact CB-ND2 3.33Å; F215-N222 HydrophobicContact CD2-CB 3.66Å; F215-N222 HydrophobicContact CE2-CB 4.34Å; F215-N222 WeakPolarHBondContact CE2-O 3.5Å; F215-N222 HydrophobicContact CG-CB 3.8Å; V217-N222 PolarHBondContact O-ND2 2.81Å; N219-N222 PolarHBondContact O-N 2.96Å; N219-N222 VanDerWaalsContact OD1-CB 3.24Å; N219-N222 WeakPolarHBondContact OD1-CB 3.35Å; N219-N222 PolarHBondContact OD1-N 3.42Å; N219-N222 PolarHBondContact OD1-ND2 3.01Å; R220-N222 PolarHBondContact O-N 3.32Å; N222-C226 VanDerWaalsContact O-CB 3.22Å; N222-C226 WeakPolarHBondContact O-CB 3.29Å; N222-C226 PolarHBondContact O-N 2.96Å
223V97.8Very high95.2Very high0 Ų054.4 Ų54.40%030%0.303CS..Hα-helixtrans-63.1-52.2177.5169.50000110.2D192 I193 L196 I207 T211 V218 N219 R220 C226 V227D192-V223 HydrophobicContact CB-CG1 4.29Å; I193-V223 HydrophobicContact CD1-CG2 3.88Å; I193-V223 HydrophobicContact CG1-CG1 3.89Å; I193-V223 HydrophobicContact CG1-CG2 3.71Å; L196-V223 HydrophobicContact CD1-CG1 3.65Å; I207-V223 HydrophobicContact CG2-CG1 4.2Å; T211-V223 HydrophobicContact CG2-CG2 3.98Å; V218-V223 HydrophobicContact CG1-CG2 3.95Å; N219-V223 WeakPolarHBondContact O-CB 3.24Å; N219-V223 VanDerWaalsContact O-CG2 3.24Å; N219-V223 WeakPolarHBondContact O-CG2 3.48Å; N219-V223 PolarHBondContact O-N 3.3Å; R220-V223 PolarHBondContact O-N 3.07Å; V223-C226 WeakPolarHBondContact O-CB 3.44Å; V223-C226 PolarHBondContact O-N 2.82Å; V223-V227 WeakPolarHBondContact O-CG2 3.16Å; V223-V227 PolarHBondContact O-N 3.43Å
224Y96Very high95.1Very high22 Ų2248 Ų489%0.08627%0.271CS..Hα-helixtrans-68-37.9-178.9-79.4-81.5000112.6D192 L196 R220 C226 V227 G228 Y229 P230 K231 P232D192-Y224 HydrophobicContact CB-CE2 3.89Å; D192-Y224 WeakPolarHBondContact OD2-CE2 3.47Å; L196-Y224 HydrophobicContact CD1-CE1 4.26Å; L196-Y224 HydrophobicContact CD2-CE1 4.17Å; R220-Y224 HydrophobicContact CG-CD2 3.77Å; R220-Y224 HydrophobicContact CG-CE2 3.95Å; R220-Y224 VanDerWaalsContact O-CD2 3.3Å; R220-Y224 WeakPolarHBondContact O-CD2 3.38Å; R220-Y224 PolarHBondContact O-N 3.43Å; Y224-C226 VanDerWaalsContact C-N 3.27Å; Y224-C226 PolarHBondContact O-N 3.01Å; Y224-V227 PolarHBondContact O-N 2.97Å; Y224-G228 PolarHBondContact O-N 3.31Å; Y224-Y229 VanDerWaalsContact CD1-O 3.31Å; Y224-Y229 WeakPolarHBondContact CD1-O 3.38Å; Y224-Y229 HydrophobicContact CE1-CD1 4.14Å; Y224-P230 WeakPolarHBondContact CD1-O 3.23Å; Y224-P230 WeakPolarHBondContact CE1-O 3.49Å; Y224-K231 HydrophobicContact CD1-CG 4.15Å; Y224-K231 HydrophobicContact CD2-CG 3.84Å; Y224-K231 HydrophobicContact CG-CB 4.42Å; Y224-K231 HydrophobicContact CG-CG 3.6Å; Y224-P232 HydrophobicContact CE2-CG 4.49Å; Y224-P232 WeakPolarHBondContact OH-CD 3.35Å
225A93.1Very high95.1Very high59 Ų5945.4 Ų45.449%0.48825%0.249SC..Hα-helixtrans-60.7-36.7171.700000112.2F215 E221F215-A225 HydrophobicContact CE2-CB 4.24Å; F215-A225 HydrophobicContact CZ-CB 3.92Å; E221-A225 VanDerWaalsContact O-CB 3.23Å; E221-A225 WeakPolarHBondContact O-CB 3.21Å; E221-A225 PolarHBondContact O-N 3.31Å
226C92.6Very high95Very high42 Ų4244.4 Ų44.428%0.28425%0.247SC..Hα-helixtrans-71.9-39.7178.5-171.90000113S210 F215 N222 V223 Y224S210-C226 VanDerWaalsContact C-SG 3.59Å; S210-C226 WeakPolarHBondContact CB-SG 3.41Å; F215-C226 HydrophobicContact CE2-CB 4.09Å; N222-C226 VanDerWaalsContact O-CB 3.22Å; N222-C226 WeakPolarHBondContact O-CB 3.29Å; N222-C226 PolarHBondContact O-N 2.96Å; V223-C226 WeakPolarHBondContact O-CB 3.44Å; V223-C226 PolarHBondContact O-N 2.82Å; Y224-C226 VanDerWaalsContact C-N 3.27Å; Y224-C226 PolarHBondContact O-N 3.01Å
227V92.7Very high95Very high52 Ų5242 Ų4232%0.31524%0.236SC..Hα-helixtrans-86.4-16.2-177.6-62.70000113.7L196 I207 V223 Y224 Y229L196-V227 HydrophobicContact CD1-CG1 4.44Å; L196-V227 HydrophobicContact CD1-CG2 3.83Å; I207-V227 HydrophobicContact CB-CG1 4.34Å; I207-V227 HydrophobicContact CD1-CG1 4.1Å; I207-V227 HydrophobicContact CG1-CG1 3.85Å; I207-V227 HydrophobicContact CG2-CG1 3.6Å; V223-V227 WeakPolarHBondContact O-CG2 3.16Å; V223-V227 PolarHBondContact O-N 3.43Å; Y224-V227 PolarHBondContact O-N 2.97Å; V227-Y229 PolarHBondContact O-N 3.06Å
228G91.4Very high94.9Very high33 Ų3339.4 Ų39.434%0.3422%0.221SC..THydrogen-bonded Turntrans69.422.3-17600000113.7Y224Y224-G228 PolarHBondContact O-N 3.31Å
229Y93.3Very high94.8Very high40 Ų4039.6 Ų39.616%0.15722%0.222CC..PPolyproline II helixtrans-98.1149.3-177.6-153.2-91.4000109.6L196 Y224 V227 D267 S271L196-Y229 HydrophobicContact CD2-CD1 3.81Å; L196-Y229 HydrophobicContact CD2-CE1 4.34Å; L196-Y229 HydrophobicContact CD2-CG 3.92Å; Y224-Y229 VanDerWaalsContact CD1-O 3.31Å; Y224-Y229 WeakPolarHBondContact CD1-O 3.38Å; Y224-Y229 HydrophobicContact CE1-CD1 4.14Å; V227-Y229 PolarHBondContact O-N 3.06Å; Y229-D267 HydrophobicContact CD2-CB 3.72Å; Y229-D267 HydrophobicContact CE2-CB 3.45Å; Y229-D267 VanDerWaalsContact CE2-CB 3.45Å; Y229-D267 VanDerWaalsContact CE2-CG 3.45Å; Y229-D267 VanDerWaalsContact CE2-OD1 3.23Å; Y229-D267 WeakPolarHBondContact CE2-OD1 3.41Å; Y229-D267 HydrophobicContact CG-CB 4.43Å; Y229-D267 PolarHBondContact OH-O 3.34Å; Y229-S271 WeakPolarHBondContact CE1-OG 3.31Å; Y229-S271 PolarHBondContact OH-OG 2.87Å; Y229-S271 VanDerWaalsContact OH-OG 3.06Å
230P94.2Very high94.6Very high2 Ų241.3 Ų41.31%0.01323%0.23CC..PPolyproline II helixtrans-68.5137.817826.6-36.4000112.3Y224 E234 I235 L263 D267 I268Y224-P230 WeakPolarHBondContact CD1-O 3.23Å; Y224-P230 WeakPolarHBondContact CE1-O 3.49Å; P230-E234 WeakPolarHBondContact CA-OE2 3.42Å; P230-I235 HydrophobicContact CB-CD1 3.54Å; P230-I235 HydrophobicContact CB-CG1 3.82Å; P230-I235 HydrophobicContact CG-CD1 3.51Å; P230-I235 HydrophobicContact CG-CG1 3.97Å; P230-L263 HydrophobicContact CB-CD1 4.08Å; P230-L263 HydrophobicContact CB-CD2 4.04Å; P230-D267 HydrophobicContact CG-CB 4.37Å; P230-I268 HydrophobicContact CG-CG1 4.32Å
231K94.4Very high94.5Very high30 Ų3037.6 Ų37.613%0.1322%0.218CC..PPolyproline II helixtrans-70.7156.5175.9-65.1-175.7-70.9-176.60111.6E221 Y224 D233 E234 I235E221-K231 IonicContact OE1-NZ 3.2Å; E221-K231 IonicContact OE2-NZ 2.91Å; E221-K231 PolarHBondContact OE2-NZ 3.5Å; Y224-K231 HydrophobicContact CD1-CG 4.15Å; Y224-K231 HydrophobicContact CD2-CG 3.84Å; Y224-K231 HydrophobicContact CG-CB 4.42Å; Y224-K231 HydrophobicContact CG-CG 3.6Å; K231-D233 VanDerWaalsContact C-N 3.29Å; K231-D233 WeakPolarHBondContact CB-OD1 3.36Å; K231-D233 PolarHBondContact O-N 3.3Å; K231-E234 HydrophobicContact CB-CB 4.47Å; K231-E234 HydrophobicContact CB-CG 3.98Å; K231-E234 VanDerWaalsContact CE-CD 3.5Å; K231-E234 WeakPolarHBondContact CE-OE1 3.45Å; K231-E234 PolarHBondContact N-OE2 3.11Å; K231-E234 IonicContact NZ-OE1 3.65Å; K231-E234 WeakPolarHBondContact O-CB 3.09Å; K231-E234 PolarHBondContact O-N 3.45Å; K231-E234 VanDerWaalsContact O-N 3.08Å; K231-I235 PolarHBondContact O-N 3.27Å
232P92.4Very high94.6Very high56 Ų5632.8 Ų32.836%0.36420%0.196SC..Hα-helixtrans-59-36.5-179.7-2636.1000114.1Y224 L236Y224-P232 HydrophobicContact CE2-CG 4.49Å; Y224-P232 WeakPolarHBondContact OH-CD 3.35Å; P232-L236 WeakPolarHBondContact O-CB 3.3Å; P232-L236 PolarHBondContact O-N 2.93Å
233D94Very high94.4Very high82 Ų8233 Ų3344%0.43920%0.196SC..Hα-helixtrans-68.2-37.1176.159-50.9000112K231 L236 T237K231-D233 VanDerWaalsContact C-N 3.29Å; K231-D233 WeakPolarHBondContact CB-OD1 3.36Å; K231-D233 PolarHBondContact O-N 3.3Å; D233-L236 WeakPolarHBondContact O-CB 3.13Å; D233-L236 PolarHBondContact O-N 3.1Å; D233-T237 PolarHBondContact O-N 3.06Å; D233-T237 PolarHBondContact O-OG1 2.86Å; D233-T237 VanDerWaalsContact O-OG1 3.12Å
234E94.6Very high94.1Very high13 Ų1338 Ų386%0.06122%0.223CC..Hα-helixtrans-66.8-43.9176.2-61.6169.416800111.5P230 K231 L236 T237 M238 M257 K261P230-E234 WeakPolarHBondContact CA-OE2 3.42Å; K231-E234 HydrophobicContact CB-CB 4.47Å; K231-E234 HydrophobicContact CB-CG 3.98Å; K231-E234 VanDerWaalsContact CE-CD 3.5Å; K231-E234 WeakPolarHBondContact CE-OE1 3.45Å; K231-E234 PolarHBondContact N-OE2 3.11Å; K231-E234 IonicContact NZ-OE1 3.65Å; K231-E234 WeakPolarHBondContact O-CB 3.09Å; K231-E234 PolarHBondContact O-N 3.45Å; K231-E234 VanDerWaalsContact O-N 3.08Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 3.39Å; E234-T237 WeakPolarHBondContact O-CB 3.04Å; E234-T237 PolarHBondContact O-N 3Å; E234-M238 WeakPolarHBondContact O-CG 3.31Å; E234-M238 PolarHBondContact O-N 3.21Å; E234-M257 HydrophobicContact CB-SD 4.12Å; E234-K261 HydrophobicContact CG-CD 4.47Å; E234-K261 VanDerWaalsContact CG-NZ 3.34Å; E234-K261 WeakPolarHBondContact OE1-CD 3.13Å; E234-K261 VanDerWaalsContact OE1-CE 3.32Å; E234-K261 WeakPolarHBondContact OE1-CE 3.3Å; E234-K261 IonicContact OE1-NZ 2.72Å; E234-K261 PolarHBondContact OE1-NZ 2.97Å
235I95.3Very high94.1Very high8 Ų839.1 Ų39.14%0.04123%0.229CC..Hα-helixtrans-61.6-40.4174.2-66.9-58.4000110.9P230 K231 M238 F239 I268 V272P230-I235 HydrophobicContact CB-CD1 3.54Å; P230-I235 HydrophobicContact CB-CG1 3.82Å; P230-I235 HydrophobicContact CG-CD1 3.51Å; P230-I235 HydrophobicContact CG-CG1 3.97Å; K231-I235 PolarHBondContact O-N 3.27Å; I235-M238 HydrophobicContact CD1-SD 4.44Å; I235-M238 PolarHBondContact O-N 2.85Å; I235-F239 WeakPolarHBondContact O-CB 3.45Å; I235-F239 PolarHBondContact O-N 3.37Å; I235-I268 HydrophobicContact CD1-CG1 4.49Å; I235-I268 HydrophobicContact CD1-CG2 4.44Å; I235-V272 HydrophobicContact CG2-CG2 4.41Å
236L94Very high94.2Very high65 Ų6540.7 Ų40.734%0.3423%0.23SC..Hα-helixtrans-62.2-43.9175.2-179.357.1000111.6P232 D233 E234 F239 N240 Y275P232-L236 WeakPolarHBondContact O-CB 3.3Å; P232-L236 PolarHBondContact O-N 2.93Å; D233-L236 WeakPolarHBondContact O-CB 3.13Å; D233-L236 PolarHBondContact O-N 3.1Å; E234-L236 VanDerWaalsContact C-N 3.29Å; E234-L236 PolarHBondContact O-N 3.39Å; L236-F239 PolarHBondContact O-N 2.95Å; L236-N240 WeakPolarHBondContact O-CB 3.21Å; L236-N240 VanDerWaalsContact O-CG 3.27Å; L236-N240 PolarHBondContact O-N 3.06Å; L236-N240 PolarHBondContact O-ND2 2.83Å; L236-Y275 HydrophobicContact CD1-CE1 3.91Å; L236-Y275 VanDerWaalsContact CD1-OH 3.31Å; L236-Y275 WeakPolarHBondContact CD1-OH 3.41Å
237T95.3Very high94.4Very high67 Ų6742.3 Ų42.341%0.41124%0.238SC..Hα-helixtrans-59.7-49.9174-58.50000111.1D233 E234 F239 N240 C241 M257D233-T237 PolarHBondContact O-N 3.06Å; D233-T237 PolarHBondContact O-OG1 2.86Å; D233-T237 VanDerWaalsContact O-OG1 3.12Å; E234-T237 WeakPolarHBondContact O-CB 3.04Å; E234-T237 PolarHBondContact O-N 3Å; T237-F239 VanDerWaalsContact C-N 3.33Å; T237-F239 PolarHBondContact O-N 2.77Å; T237-N240 WeakPolarHBondContact O-CB 3.33Å; T237-N240 PolarHBondContact O-N 3.33Å; T237-N240 VanDerWaalsContact O-N 3.16Å; T237-C241 PolarHBondContact O-N 3.13Å; T237-C241 PolarHBondContact O-SG 3.49Å; T237-M257 HydrophobicContact CG2-CE 3.74Å
238M96.2Very high94.6Very high1 Ų144.1 Ų44.11%0.00525%0.253CS..Hα-helixtrans-60.4-41.9178.1-67.9-175.6-168.700112.1E234 I235 N240 C241 L242 I254 M257 L263 I268E234-M238 WeakPolarHBondContact O-CG 3.31Å; E234-M238 PolarHBondContact O-N 3.21Å; I235-M238 HydrophobicContact CD1-SD 4.44Å; I235-M238 PolarHBondContact O-N 2.85Å; M238-N240 VanDerWaalsContact C-N 3.31Å; M238-N240 PolarHBondContact O-N 2.97Å; M238-C241 WeakPolarHBondContact O-CB 3.46Å; M238-C241 PolarHBondContact O-N 3.3Å; M238-L242 WeakPolarHBondContact O-CB 3.34Å; M238-L242 VanDerWaalsContact O-CG 3.25Å; M238-L242 WeakPolarHBondContact O-CG 3.37Å; M238-L242 PolarHBondContact O-N 2.81Å; M238-I254 HydrophobicContact CG-CG1 4.35Å; M238-I254 HydrophobicContact SD-CG2 4.35Å; M238-M257 HydrophobicContact CE-CB 4.25Å; M238-M257 HydrophobicContact CE-CG 3.8Å; M238-M257 HydrophobicContact CE-SD 3.31Å; M238-M257 WeakPolarHBondContact CE-SD 3.3Å; M238-M257 HydrophobicContact CG-SD 3.9Å; M238-M257 HydrophobicContact SD-SD 4.47Å; M238-L263 HydrophobicContact CE-CD1 3.57Å; M238-I268 HydrophobicContact CE-CD1 3.75Å; M238-I268 HydrophobicContact CE-CG1 4.16Å; M238-I268 HydrophobicContact SD-CB 4.4Å; M238-I268 HydrophobicContact SD-CD1 3.72Å; M238-I268 HydrophobicContact SD-CG1 3.84Å; M238-I268 HydrophobicContact SD-CG2 3.65Å
239F94.9Very high94.9Very high5 Ų545.7 Ų45.72%0.02225%0.251CS..Hα-helixtrans-62.3-39.6177-168.8-97.8000111.8I235 L236 T237 L242 L243 V272 Y275 I276 V279 F317I235-F239 WeakPolarHBondContact O-CB 3.45Å; I235-F239 PolarHBondContact O-N 3.37Å; L236-F239 PolarHBondContact O-N 2.95Å; T237-F239 VanDerWaalsContact C-N 3.33Å; T237-F239 PolarHBondContact O-N 2.77Å; F239-L242 PolarHBondContact O-N 3.35Å; F239-L243 HydrophobicContact CD1-CD1 3.72Å; F239-L243 HydrophobicContact CD1-CG 4.45Å; F239-L243 HydrophobicContact CE1-CD1 3.19Å; F239-L243 HydrophobicContact CE1-CG 4.14Å; F239-L243 HydrophobicContact CZ-CD1 3.75Å; F239-L243 HydrophobicContact CZ-CG 4.43Å; F239-L243 PolarHBondContact O-N 3.27Å; F239-V272 HydrophobicContact CD2-CG1 4.07Å; F239-V272 HydrophobicContact CE2-CG1 4.38Å; F239-Y275 HydrophobicContact CB-CD1 4.39Å; F239-Y275 AromaticContact CD1-CD1 3.67Å; F239-Y275 HydrophobicContact CD1-CD1 3.67Å; F239-Y275 AromaticContact CD1-CE1 3.84Å; F239-Y275 HydrophobicContact CD1-CE1 3.84Å; F239-Y275 AromaticContact CD2-CD1 3.96Å; F239-Y275 HydrophobicContact CD2-CD1 3.96Å; F239-Y275 AromaticContact CE1-CD1 3.8Å; F239-Y275 HydrophobicContact CE1-CD1 3.8Å; F239-Y275 HydrophobicContact CE1-CE1 4.06Å; F239-Y275 HydrophobicContact CE2-CD1 4.11Å; F239-Y275 AromaticContact CG-CD1 3.74Å; F239-Y275 HydrophobicContact CG-CD1 3.74Å; F239-Y275 HydrophobicContact CG-CE1 4.26Å; F239-Y275 HydrophobicContact CZ-CD1 4.04Å; F239-I276 HydrophobicContact CE2-CG1 3.86Å; F239-I276 HydrophobicContact CZ-CG1 4.45Å; F239-V279 HydrophobicContact CE1-CB 4.43Å; F239-V279 HydrophobicContact CE1-CG1 4.35Å; F239-V279 HydrophobicContact CE1-CG2 3.92Å; F239-V279 HydrophobicContact CZ-CB 4.38Å; F239-V279 HydrophobicContact CZ-CG2 4.14Å; F239-F317 HydrophobicContact CD2-CE1 4.07Å; F239-F317 HydrophobicContact CD2-CZ 4.17Å; F239-F317 AromaticContact CE2-CE1 3.68Å; F239-F317 HydrophobicContact CE2-CE1 3.68Å; F239-F317 AromaticContact CE2-CZ 3.87Å; F239-F317 HydrophobicContact CE2-CZ 3.87Å; F239-F317 HydrophobicContact CZ-CE1 4.28Å
240N93.8Very high95.1Very high74 Ų7443.8 Ų43.840%0.39624%0.244SC..Hα-helixtrans-67.1-40.9174.1-72.9-29.3000112.2L236 T237 M238 L243 N244L236-N240 WeakPolarHBondContact O-CB 3.21Å; L236-N240 VanDerWaalsContact O-CG 3.27Å; L236-N240 PolarHBondContact O-N 3.06Å; L236-N240 PolarHBondContact O-ND2 2.83Å; T237-N240 WeakPolarHBondContact O-CB 3.33Å; T237-N240 PolarHBondContact O-N 3.33Å; T237-N240 VanDerWaalsContact O-N 3.16Å; M238-N240 VanDerWaalsContact C-N 3.31Å; M238-N240 PolarHBondContact O-N 2.97Å; N240-L243 PolarHBondContact O-N 3.47Å; N240-N244 VanDerWaalsContact O-CB 3.31Å; N240-N244 WeakPolarHBondContact O-CB 3.24Å; N240-N244 PolarHBondContact O-N 3.3Å; N240-N244 PolarHBondContact O-ND2 3.31Å
241C96.1Very high95.2Very high10 Ų1046.9 Ų46.97%0.06826%0.256CS..Hα-helixtrans-58.8-48.8172.8-61.50000110.4T237 M238 L243 N244 E245T237-C241 PolarHBondContact O-N 3.13Å; T237-C241 PolarHBondContact O-SG 3.49Å; M238-C241 WeakPolarHBondContact O-CB 3.46Å; M238-C241 PolarHBondContact O-N 3.3Å; C241-L243 VanDerWaalsContact C-N 3.3Å; C241-L243 PolarHBondContact O-N 2.96Å; C241-N244 PolarHBondContact O-N 3.24Å; C241-E245 HydrophobicContact CB-CG 4.41Å; C241-E245 WeakPolarHBondContact CB-OE2 3.27Å; C241-E245 WeakPolarHBondContact O-CB 3.18Å; C241-E245 PolarHBondContact O-N 3.46Å; C241-E245 PolarHBondContact SG-OE1 2.93Å
242L96.6Very high95.4Very high1 Ų150 Ų501%0.00527%0.269CS..Hα-helixtrans-58.1-39179.2-72.4169.1000113M238 F239 I254 V272 L313 I314 F317M238-L242 WeakPolarHBondContact O-CB 3.34Å; M238-L242 VanDerWaalsContact O-CG 3.25Å; M238-L242 WeakPolarHBondContact O-CG 3.37Å; M238-L242 PolarHBondContact O-N 2.81Å; F239-L242 PolarHBondContact O-N 3.35Å; L242-I254 HydrophobicContact CD2-CD1 3.71Å; L242-I254 HydrophobicContact CG-CD1 3.84Å; L242-V272 HydrophobicContact CD1-CG1 4.4Å; L242-V272 HydrophobicContact CD1-CG2 4.33Å; L242-L313 HydrophobicContact CD1-CD2 4.49Å; L242-L313 HydrophobicContact CD2-CG 4.41Å; L242-I314 HydrophobicContact CD2-CB 4.27Å; L242-I314 HydrophobicContact CD2-CG1 3.64Å; L242-F317 HydrophobicContact CB-CB 4.08Å; L242-F317 HydrophobicContact CB-CD1 3.63Å; L242-F317 HydrophobicContact CB-CD2 4.21Å; L242-F317 HydrophobicContact CB-CE1 4.06Å; L242-F317 HydrophobicContact CB-CG 3.71Å; L242-F317 HydrophobicContact CD1-CD2 4.1Å; L242-F317 HydrophobicContact CD1-CE1 4.4Å; L242-F317 HydrophobicContact CD1-CE2 3.91Å; L242-F317 HydrophobicContact CD1-CG 4.44Å; L242-F317 HydrophobicContact CD1-CZ 4.06Å; L242-F317 HydrophobicContact CD2-CB 4.45Å; L242-F317 HydrophobicContact CD2-CD2 4.2Å; L242-F317 HydrophobicContact CD2-CG 4.33Å; L242-F317 HydrophobicContact CG-CD2 4.41Å; L242-F317 HydrophobicContact CG-CG 4.38Å; L242-F317 WeakPolarHBondContact O-CB 3.47Å
243L93.1Very high95.6Very high31 Ų3150.3 Ų50.316%0.16227%0.266CS..Hα-helixtrans-84.9-20.6-178.1-78.3179000115.1F239 N240 C241 F317 R321 I324F239-L243 HydrophobicContact CD1-CD1 3.72Å; F239-L243 HydrophobicContact CD1-CG 4.45Å; F239-L243 HydrophobicContact CE1-CD1 3.19Å; F239-L243 HydrophobicContact CE1-CG 4.14Å; F239-L243 HydrophobicContact CZ-CD1 3.75Å; F239-L243 HydrophobicContact CZ-CG 4.43Å; F239-L243 PolarHBondContact O-N 3.27Å; N240-L243 PolarHBondContact O-N 3.47Å; C241-L243 VanDerWaalsContact C-N 3.3Å; C241-L243 PolarHBondContact O-N 2.96Å; L243-F317 HydrophobicContact CD2-CD1 3.78Å; L243-F317 HydrophobicContact CD2-CE1 4.15Å; L243-F317 HydrophobicContact CG-CD1 4.05Å; L243-F317 HydrophobicContact CG-CE1 4.21Å; L243-R321 HydrophobicContact CD2-CG 4.38Å; L243-R321 WeakPolarHBondContact O-CD 3.32Å; L243-R321 WeakPolarHBondContact O-CG 3.43Å; L243-R321 PolarHBondContact O-NE 3Å; L243-I324 HydrophobicContact CD2-CD1 4.36Å
244N93.2Very high95.8Very high105 Ų10546.5 Ų46.556%0.56125%0.245SC*.Hα-helixtrans-124.7-31-167.7-59.5-64.5000114.2N240 C241 R321N240-N244 VanDerWaalsContact O-CB 3.31Å; N240-N244 WeakPolarHBondContact O-CB 3.24Å; N240-N244 PolarHBondContact O-N 3.3Å; N240-N244 PolarHBondContact O-ND2 3.31Å; C241-N244 PolarHBondContact O-N 3.24Å; N244-R321 PolarHBondContact O-NH2 2.72Å
245E95.7Very high95.9Very high46 Ų4647.4 Ų47.422%0.21525%0.252CS..SBendtrans-84.9156.7-176.7-64.5174.3-169.400111.8C241 E249 A250 H253 Q318 R321C241-E245 HydrophobicContact CB-CG 4.41Å; C241-E245 WeakPolarHBondContact CB-OE2 3.27Å; C241-E245 WeakPolarHBondContact O-CB 3.18Å; C241-E245 PolarHBondContact O-N 3.46Å; C241-E245 PolarHBondContact SG-OE1 2.93Å; E245-E249 HydrophobicContact CB-CB 4.39Å; E245-A250 HydrophobicContact CB-CB 4.09Å; E245-A250 WeakPolarHBondContact OE2-CA 2.87Å; E245-A250 PolarHBondContact OE2-N 3.39Å; E245-H253 VanDerWaalsContact CD-ND1 3.26Å; E245-H253 IonicContact OE1-CE1 2.77Å; E245-H253 IonicContact OE1-ND1 3.59Å; E245-H253 PolarHBondContact OE1-ND1 3.01Å; E245-H253 VanDerWaalsContact OE1-ND1 3.1Å; E245-H253 IonicContact OE2-CE1 3.62Å; E245-H253 IonicContact OE2-CG 3.7Å; E245-H253 IonicContact OE2-ND1 3.5Å; E245-H253 PolarHBondContact OE2-ND1 3.34Å; E245-Q318 PolarHBondContact O-NE2 2.88Å; E245-R321 PolarHBondContact O-NH1 3.23Å
246D95.4Very high96Very high92 Ų9251 Ų5149%0.49227%0.268SS..  trans-69.5168.3169.571.882.7000111.2S248 E249 A250D246-S248 VanDerWaalsContact C-N 3.29Å; D246-S248 PolarHBondContact O-N 3.33Å; D246-S248 WeakPolarHBondContact OD1-CB 3.46Å; D246-S248 PolarHBondContact OD1-N 3.41Å; D246-E249 PolarHBondContact O-N 3.13Å; D246-E249 PolarHBondContact OD1-N 3.19Å; D246-A250 VanDerWaalsContact O-CB 3.29Å; D246-A250 WeakPolarHBondContact O-CB 3.5Å; D246-A250 PolarHBondContact O-N 2.86Å
247V95.7Very high96Very high75 Ų7549.3 Ų49.346%0.45526%0.259SS..Hα-helixtrans-56.5-41.8-174.5176.90000112.7Y251 I314 Q318V247-Y251 VanDerWaalsContact O-CB 3.28Å; V247-Y251 WeakPolarHBondContact O-CB 3.03Å; V247-Y251 PolarHBondContact O-N 3.25Å; V247-Y251 VanDerWaalsContact O-N 3.1Å; V247-I314 HydrophobicContact CB-CG2 4.5Å; V247-I314 HydrophobicContact CG1-CG2 4.26Å; V247-Q318 HydrophobicContact CG2-CG 3.65Å
248S97Very high96Very high90 Ų9047.7 Ų47.763%0.62925%0.245SC*.Hα-helixtrans-73.3-43.7-172.9-56.50000110.7D246 Y251 K252D246-S248 VanDerWaalsContact C-N 3.29Å; D246-S248 PolarHBondContact O-N 3.33Å; D246-S248 WeakPolarHBondContact OD1-CB 3.46Å; D246-S248 PolarHBondContact OD1-N 3.41Å; S248-Y251 PolarHBondContact O-N 2.96Å; S248-K252 WeakPolarHBondContact O-CB 3.17Å; S248-K252 PolarHBondContact O-N 3.46Å
249E97.3Very high96Very high66 Ų6653.9 Ų53.931%0.30828%0.277SS..Hα-helixtrans-69.9-44.6-179.6-163.466.1177.700111.6E245 D246 Y251 K252 H253E245-E249 HydrophobicContact CB-CB 4.39Å; D246-E249 PolarHBondContact O-N 3.13Å; D246-E249 PolarHBondContact OD1-N 3.19Å; E249-Y251 VanDerWaalsContact C-N 3.29Å; E249-Y251 PolarHBondContact O-N 3.23Å; E249-K252 PolarHBondContact O-N 3.49Å; E249-K252 VanDerWaalsContact O-N 3.17Å; E249-H253 WeakPolarHBondContact O-CB 3.28Å; E249-H253 PolarHBondContact O-N 3.1Å; E249-H253 IonicContact OE1-CD2 2.7Å; E249-H253 IonicContact OE1-CE1 2.83Å; E249-H253 PolarHBondContact OE1-CE1 3.01Å; E249-H253 IonicContact OE1-NE2 3.78Å; E249-H253 PolarHBondContact OE1-NE2 3.37Å
250A97.3Very high95.9Very high0 Ų061 Ų610%031%0.31CS..Hα-helixtrans-58.6-42.2175.200000111.8E245 D246 I254 I314E245-A250 HydrophobicContact CB-CB 4.09Å; E245-A250 WeakPolarHBondContact OE2-CA 2.87Å; E245-A250 PolarHBondContact OE2-N 3.39Å; D246-A250 VanDerWaalsContact O-CB 3.29Å; D246-A250 WeakPolarHBondContact O-CB 3.5Å; D246-A250 PolarHBondContact O-N 2.86Å; A250-I254 WeakPolarHBondContact O-CB 3.43Å; A250-I254 WeakPolarHBondContact O-CD1 3.41Å; A250-I254 VanDerWaalsContact O-CG1 3.23Å; A250-I254 WeakPolarHBondContact O-CG1 3.45Å; A250-I254 PolarHBondContact O-N 3.3Å; A250-I314 HydrophobicContact CB-CG1 4.48Å; A250-I314 HydrophobicContact CB-CG2 4.01Å
251Y97.8Very high95.8Very high67 Ų6761.8 Ų61.826%0.26331%0.31SS..Hα-helixtrans-63.5-45.6177.9-176.2-86.5000111.6V247 S248 E249 T255 L310 S311 I314V247-Y251 VanDerWaalsContact O-CB 3.28Å; V247-Y251 WeakPolarHBondContact O-CB 3.03Å; V247-Y251 PolarHBondContact O-N 3.25Å; V247-Y251 VanDerWaalsContact O-N 3.1Å; S248-Y251 PolarHBondContact O-N 2.96Å; E249-Y251 VanDerWaalsContact C-N 3.29Å; E249-Y251 PolarHBondContact O-N 3.23Å; Y251-T255 WeakPolarHBondContact O-CB 3.31Å; Y251-T255 PolarHBondContact O-N 3.33Å; Y251-T255 PolarHBondContact O-OG1 2.63Å; Y251-L310 HydrophobicContact CD2-CD2 4.06Å; Y251-L310 HydrophobicContact CD2-CG 4.11Å; Y251-L310 HydrophobicContact CE2-CB 4.42Å; Y251-L310 HydrophobicContact CE2-CD2 3.92Å; Y251-L310 HydrophobicContact CE2-CG 4.12Å; Y251-S311 VanDerWaalsContact CE2-OG 3.3Å; Y251-S311 WeakPolarHBondContact CE2-OG 3.46Å; Y251-I314 VanDerWaalsContact CA-CD1 3.42Å; Y251-I314 HydrophobicContact CD2-CD1 3.86Å; Y251-I314 HydrophobicContact CG-CD1 4.25Å
252K97.6Very high95.6Very high97 Ų9764.4 Ų64.442%0.42234%0.339SS..Hα-helixtrans-62.2-54.2178.5-179-173.6167.4-158.70111.1S248 E249 I254 T255 E256S248-K252 WeakPolarHBondContact O-CB 3.17Å; S248-K252 PolarHBondContact O-N 3.46Å; E249-K252 PolarHBondContact O-N 3.49Å; E249-K252 VanDerWaalsContact O-N 3.17Å; K252-I254 PolarHBondContact O-N 3.31Å; K252-T255 PolarHBondContact O-N 2.78Å; K252-E256 WeakPolarHBondContact CE-OE1 3.26Å; K252-E256 HydrophobicContact CG-CG 4.46Å; K252-E256 WeakPolarHBondContact CG-OE1 3.35Å; K252-E256 WeakPolarHBondContact O-CB 3.37Å; K252-E256 WeakPolarHBondContact O-CG 3.48Å; K252-E256 PolarHBondContact O-N 2.85Å
253H97Very high95.5Very high61 Ų6164.8 Ų64.828%0.28234%0.341SS..Hα-helixtrans-59.1-47.8-178.2-75.2165.9000113E245 E249 T255 E256 M257E245-H253 VanDerWaalsContact CD-ND1 3.26Å; E245-H253 IonicContact OE1-CE1 2.77Å; E245-H253 IonicContact OE1-ND1 3.59Å; E245-H253 PolarHBondContact OE1-ND1 3.01Å; E245-H253 VanDerWaalsContact OE1-ND1 3.1Å; E245-H253 IonicContact OE2-CE1 3.62Å; E245-H253 IonicContact OE2-CG 3.7Å; E245-H253 IonicContact OE2-ND1 3.5Å; E245-H253 PolarHBondContact OE2-ND1 3.34Å; E249-H253 WeakPolarHBondContact O-CB 3.28Å; E249-H253 PolarHBondContact O-N 3.1Å; E249-H253 IonicContact OE1-CD2 2.7Å; E249-H253 IonicContact OE1-CE1 2.83Å; E249-H253 PolarHBondContact OE1-CE1 3.01Å; E249-H253 IonicContact OE1-NE2 3.78Å; E249-H253 PolarHBondContact OE1-NE2 3.37Å; H253-T255 VanDerWaalsContact C-N 3.33Å; H253-T255 PolarHBondContact O-N 3.49Å; H253-E256 PolarHBondContact O-N 3.33Å; H253-M257 WeakPolarHBondContact O-CB 3.34Å; H253-M257 PolarHBondContact O-N 3.03Å
254I97.4Very high95.6Very high3 Ų365.4 Ų65.42%0.01535%0.351CS..Hα-helixtrans-66.2-39.9179.4-63.8168.3000110.2M238 L242 A250 K252 R258 L310 I314M238-I254 HydrophobicContact CG-CG1 4.35Å; M238-I254 HydrophobicContact SD-CG2 4.35Å; L242-I254 HydrophobicContact CD2-CD1 3.71Å; L242-I254 HydrophobicContact CG-CD1 3.84Å; A250-I254 WeakPolarHBondContact O-CB 3.43Å; A250-I254 WeakPolarHBondContact O-CD1 3.41Å; A250-I254 VanDerWaalsContact O-CG1 3.23Å; A250-I254 WeakPolarHBondContact O-CG1 3.45Å; A250-I254 PolarHBondContact O-N 3.3Å; K252-I254 PolarHBondContact O-N 3.31Å; I254-R258 HydrophobicContact CG2-CG 4.3Å; I254-R258 WeakPolarHBondContact O-CB 3.48Å; I254-R258 WeakPolarHBondContact O-CG 3.07Å; I254-R258 PolarHBondContact O-N 2.7Å; I254-L310 HydrophobicContact CB-CD1 4.39Å; I254-L310 HydrophobicContact CG2-CD1 3.72Å; I254-L310 HydrophobicContact CG2-CD2 4.27Å; I254-I314 HydrophobicContact CD1-CD1 4.47Å; I254-I314 HydrophobicContact CD1-CG1 4.28Å
255T97.2Very high95.7Very high32 Ų3260.5 Ų60.520%0.19632%0.324CS..Hα-helixtrans-63.6-45177-61.40000111.9Y251 K252 H253 R258 I259 L310Y251-T255 WeakPolarHBondContact O-CB 3.31Å; Y251-T255 PolarHBondContact O-N 3.33Å; Y251-T255 PolarHBondContact O-OG1 2.63Å; K252-T255 PolarHBondContact O-N 2.78Å; H253-T255 VanDerWaalsContact C-N 3.33Å; H253-T255 PolarHBondContact O-N 3.49Å; T255-R258 PolarHBondContact O-N 2.77Å; T255-I259 HydrophobicContact CG2-CD1 3.77Å; T255-I259 HydrophobicContact CG2-CG1 4.44Å; T255-I259 VanDerWaalsContact O-CG1 3.3Å; T255-I259 WeakPolarHBondContact O-CG1 3.4Å; T255-I259 PolarHBondContact O-N 3.27Å; T255-L310 WeakPolarHBondContact OG1-CD2 3.34Å
256E96.7Very high95.8Very high82 Ų8263.2 Ų63.238%0.38334%0.337SS..Hα-helixtrans-62.1-47.1177.9-75174179.100111.3K252 H253 R258 I259 Q260K252-E256 WeakPolarHBondContact CE-OE1 3.26Å; K252-E256 HydrophobicContact CG-CG 4.46Å; K252-E256 WeakPolarHBondContact CG-OE1 3.35Å; K252-E256 WeakPolarHBondContact O-CB 3.37Å; K252-E256 WeakPolarHBondContact O-CG 3.48Å; K252-E256 PolarHBondContact O-N 2.85Å; H253-E256 PolarHBondContact O-N 3.33Å; E256-R258 VanDerWaalsContact C-N 3.31Å; E256-R258 PolarHBondContact O-N 3.04Å; E256-I259 PolarHBondContact O-N 3.01Å; E256-Q260 WeakPolarHBondContact O-CB 3.45Å; E256-Q260 VanDerWaalsContact O-CG 3.28Å; E256-Q260 WeakPolarHBondContact O-CG 3.15Å; E256-Q260 PolarHBondContact O-N 3.01Å
257M95.3Very high95.7Very high31 Ų3161 Ų6115%0.15333%0.325CS..Hα-helixtrans-60.3-41.9177.2-170.8178.1-58.600111.8E234 T237 M238 H253 K261E234-M257 HydrophobicContact CB-SD 4.12Å; T237-M257 HydrophobicContact CG2-CE 3.74Å; M238-M257 HydrophobicContact CE-CB 4.25Å; M238-M257 HydrophobicContact CE-CG 3.8Å; M238-M257 HydrophobicContact CE-SD 3.31Å; M238-M257 WeakPolarHBondContact CE-SD 3.3Å; M238-M257 HydrophobicContact CG-SD 3.9Å; M238-M257 HydrophobicContact SD-SD 4.47Å; H253-M257 WeakPolarHBondContact O-CB 3.34Å; H253-M257 PolarHBondContact O-N 3.03Å; M257-K261 HydrophobicContact CG-CD 4.1Å; M257-K261 WeakPolarHBondContact O-CB 3.31Å; M257-K261 PolarHBondContact O-N 3.39Å; M257-K261 VanDerWaalsContact O-N 3.1Å
258R95.3Very high95.8Very high32 Ų3257.5 Ų57.512%0.12130%0.304CS..Hα-helixtrans-62.6-45.1176.8-75.6176.166.4-153.6-3.4112.7I254 T255 E256 G262 L263 I268 D306I254-R258 HydrophobicContact CG2-CG 4.3Å; I254-R258 WeakPolarHBondContact O-CB 3.48Å; I254-R258 WeakPolarHBondContact O-CG 3.07Å; I254-R258 PolarHBondContact O-N 2.7Å; T255-R258 PolarHBondContact O-N 2.77Å; E256-R258 VanDerWaalsContact C-N 3.31Å; E256-R258 PolarHBondContact O-N 3.04Å; R258-G262 WeakPolarHBondContact O-CA 3.29Å; R258-G262 PolarHBondContact O-N 2.98Å; R258-L263 HydrophobicContact CG-CB 4.24Å; R258-L263 PolarHBondContact NE-O 3.27Å; R258-L263 PolarHBondContact O-N 2.63Å; R258-I268 HydrophobicContact CG-CD1 3.47Å; R258-I268 VanDerWaalsContact CG-CD1 3.47Å; R258-D306 IonicContact CZ-OD1 2.66Å; R258-D306 IonicContact CZ-OD2 3.12Å; R258-D306 IonicContact NH1-OD1 3.03Å; R258-D306 PolarHBondContact NH1-OD1 3.15Å; R258-D306 IonicContact NH1-OD2 3.91Å; R258-D306 IonicContact NH2-OD1 2.65Å; R258-D306 PolarHBondContact NH2-OD1 2.83Å; R258-D306 IonicContact NH2-OD2 3.81Å; R258-D306 PolarHBondContact NH2-OD2 3.08Å
259I94.6Very high95.8Very high132 Ų13253.5 Ų53.568%0.67728%0.276SS*.Hα-helixtrans-65.5-46.1179.7-69.9167.8000110.4T255 E256 K261T255-I259 HydrophobicContact CG2-CD1 3.77Å; T255-I259 HydrophobicContact CG2-CG1 4.44Å; T255-I259 VanDerWaalsContact O-CG1 3.3Å; T255-I259 WeakPolarHBondContact O-CG1 3.4Å; T255-I259 PolarHBondContact O-N 3.27Å; E256-I259 PolarHBondContact O-N 3.01Å; I259-K261 VanDerWaalsContact C-N 3.28Å; I259-K261 PolarHBondContact O-N 3.34Å
260Q93.4Very high95.6Very high153 Ų15352.6 Ų52.672%0.71528%0.275SS*.Hα-helixtrans-64.3-33.7-177.8-72.21753.700112.7E256E256-Q260 WeakPolarHBondContact O-CB 3.45Å; E256-Q260 VanDerWaalsContact O-CG 3.28Å; E256-Q260 WeakPolarHBondContact O-CG 3.15Å; E256-Q260 PolarHBondContact O-N 3.01Å
261K91.3Very high95.5Very high91 Ų9153.2 Ų53.240%0.39628%0.279SS..Hα-helixtrans-109.1-1.8-172.9-60.6-175.8177.9-175.60114.7E234 M257 I259 L263E234-K261 HydrophobicContact CG-CD 4.47Å; E234-K261 VanDerWaalsContact CG-NZ 3.34Å; E234-K261 WeakPolarHBondContact OE1-CD 3.13Å; E234-K261 VanDerWaalsContact OE1-CE 3.32Å; E234-K261 WeakPolarHBondContact OE1-CE 3.3Å; E234-K261 IonicContact OE1-NZ 2.72Å; E234-K261 PolarHBondContact OE1-NZ 2.97Å; M257-K261 HydrophobicContact CG-CD 4.1Å; M257-K261 WeakPolarHBondContact O-CB 3.31Å; M257-K261 PolarHBondContact O-N 3.39Å; M257-K261 VanDerWaalsContact O-N 3.1Å; I259-K261 VanDerWaalsContact C-N 3.28Å; I259-K261 PolarHBondContact O-N 3.34Å; K261-L263 HydrophobicContact CB-CD1 3.97Å; K261-L263 HydrophobicContact CB-CD2 4.31Å; K261-L263 HydrophobicContact CB-CG 3.77Å; K261-L263 HydrophobicContact CD-CD1 4.39Å
262G92.6Very high95.3Very high65 Ų6550 Ų5067%0.6727%0.266SS*.THydrogen-bonded Turntrans68.830179.900000114.7R258R258-G262 WeakPolarHBondContact O-CA 3.29Å; R258-G262 PolarHBondContact O-N 2.98Å
263L94.6Very high95.2Very high10 Ų1048.6 Ų48.65%0.05226%0.261CS..  trans-85128.5-170.9-57172.3000112.9P230 M238 R258 K261 I268P230-L263 HydrophobicContact CB-CD1 4.08Å; P230-L263 HydrophobicContact CB-CD2 4.04Å; M238-L263 HydrophobicContact CE-CD1 3.57Å; R258-L263 HydrophobicContact CG-CB 4.24Å; R258-L263 PolarHBondContact NE-O 3.27Å; R258-L263 PolarHBondContact O-N 2.63Å; K261-L263 HydrophobicContact CB-CD1 3.97Å; K261-L263 HydrophobicContact CB-CD2 4.31Å; K261-L263 HydrophobicContact CB-CG 3.77Å; K261-L263 HydrophobicContact CD-CD1 4.39Å; L263-I268 HydrophobicContact CB-CD1 4.03Å; L263-I268 HydrophobicContact CB-CG1 4.49Å
264A94.9Very high94.9Very high44 Ų4450.6 Ų50.636%0.36427%0.271SS..  trans-75.1140.217300000111.3Q266 D267 I268A264-Q266 PolarHBondContact O-N 2.86Å; A264-D267 PolarHBondContact O-N 3.22Å; A264-I268 PolarHBondContact O-N 3Å
265L96.6Very high94.6Very high1 Ų153.7 Ų53.71%0.00528%0.283CS..Hα-helixtrans-63-32177.7179.659.9000112I268 L269 L300 D306 Q309 L310 L313L265-I268 PolarHBondContact O-N 3.45Å; L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 PolarHBondContact O-N 2.7Å; L265-L300 HydrophobicContact CD2-CD1 4.21Å; L265-L300 HydrophobicContact CD2-CD2 4.2Å; L265-L300 HydrophobicContact CG-CD1 4.14Å; L265-D306 VanDerWaalsContact CB-OD2 3.23Å; L265-D306 WeakPolarHBondContact CB-OD2 3.22Å; L265-D306 WeakPolarHBondContact CD2-O 3.45Å; L265-Q309 HydrophobicContact CD2-CB 3.76Å; L265-L310 HydrophobicContact CD1-CB 4.39Å; L265-L310 HydrophobicContact CD1-CD1 4.06Å; L265-L310 HydrophobicContact CD2-CB 4.04Å; L265-L313 HydrophobicContact CD1-CD2 4.3Å
266Q95.9Very high94.3Very high103 Ų10352.2 Ų52.248%0.48127%0.273SS..Hα-helixtrans-60.3-46.2177.7-174.6172.71.600111.6A264 I268 L269 T270A264-Q266 PolarHBondContact O-N 2.86Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 2.83Å; Q266-L269 WeakPolarHBondContact O-CB 3.27Å; Q266-L269 PolarHBondContact O-N 3.4Å; Q266-T270 PolarHBondContact O-N 3.29Å; Q266-T270 PolarHBondContact O-OG1 3.11Å; Q266-T270 VanDerWaalsContact O-OG1 3.13Å
267D94.9Very high93.9Very high45 Ų4553 Ų5324%0.24128%0.277CS..Hα-helixtrans-67.1-37.3179.3-62.3-35.8000111.8Y229 P230 A264 S271Y229-D267 HydrophobicContact CD2-CB 3.72Å; Y229-D267 HydrophobicContact CE2-CB 3.45Å; Y229-D267 VanDerWaalsContact CE2-CB 3.45Å; Y229-D267 VanDerWaalsContact CE2-CG 3.45Å; Y229-D267 VanDerWaalsContact CE2-OD1 3.23Å; Y229-D267 WeakPolarHBondContact CE2-OD1 3.41Å; Y229-D267 HydrophobicContact CG-CB 4.43Å; Y229-D267 PolarHBondContact OH-O 3.34Å; P230-D267 HydrophobicContact CG-CB 4.37Å; A264-D267 PolarHBondContact O-N 3.22Å; D267-S271 WeakPolarHBondContact O-CB 3.49Å; D267-S271 PolarHBondContact O-N 3.47Å; D267-S271 PolarHBondContact O-OG 3.5Å
268I96.6Very high93.5Very high2 Ų260.3 Ų60.31%0.0130%0.303CS..Hα-helixtrans-63.1-47.2173-65.6165.8000110.2P230 I235 M238 R258 L263 A264 L265 Q266 T270 S271 V272P230-I268 HydrophobicContact CG-CG1 4.32Å; I235-I268 HydrophobicContact CD1-CG1 4.49Å; I235-I268 HydrophobicContact CD1-CG2 4.44Å; M238-I268 HydrophobicContact CE-CD1 3.75Å; M238-I268 HydrophobicContact CE-CG1 4.16Å; M238-I268 HydrophobicContact SD-CB 4.4Å; M238-I268 HydrophobicContact SD-CD1 3.72Å; M238-I268 HydrophobicContact SD-CG1 3.84Å; M238-I268 HydrophobicContact SD-CG2 3.65Å; R258-I268 HydrophobicContact CG-CD1 3.47Å; R258-I268 VanDerWaalsContact CG-CD1 3.47Å; L263-I268 HydrophobicContact CB-CD1 4.03Å; L263-I268 HydrophobicContact CB-CG1 4.49Å; A264-I268 PolarHBondContact O-N 3Å; L265-I268 PolarHBondContact O-N 3.45Å; Q266-I268 VanDerWaalsContact C-N 3.34Å; Q266-I268 PolarHBondContact O-N 2.83Å; I268-T270 PolarHBondContact O-N 2.98Å; I268-S271 PolarHBondContact O-N 3.26Å; I268-V272 HydrophobicContact CG2-CG2 4.1Å; I268-V272 WeakPolarHBondContact O-CB 3.48Å; I268-V272 VanDerWaalsContact O-CG2 3.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.5Å; I268-V272 PolarHBondContact O-N 3.45Å
269L96.7Very high93.1Very high6 Ų660.7 Ų60.73%0.03131%0.309CS..Hα-helixtrans-59-48.6179.7-173.477.4000111.1L265 Q266 S271 V272 H273 M293 I296 E297 L300 L313L265-L269 VanDerWaalsContact O-CB 3.31Å; L265-L269 WeakPolarHBondContact O-CB 3.44Å; L265-L269 PolarHBondContact O-N 2.7Å; Q266-L269 WeakPolarHBondContact O-CB 3.27Å; Q266-L269 PolarHBondContact O-N 3.4Å; L269-S271 VanDerWaalsContact C-N 3.35Å; L269-S271 PolarHBondContact O-N 3.35Å; L269-V272 PolarHBondContact O-N 2.67Å; L269-H273 WeakPolarHBondContact O-CB 3.44Å; L269-H273 PolarHBondContact O-N 3.36Å; L269-M293 HydrophobicContact CD1-CB 4.04Å; L269-M293 HydrophobicContact CD1-CE 3.57Å; L269-M293 HydrophobicContact CD1-CG 3.89Å; L269-M293 HydrophobicContact CG-CE 3.99Å; L269-M293 WeakPolarHBondContact O-CE 3.27Å; L269-I296 HydrophobicContact CD1-CB 4.29Å; L269-I296 HydrophobicContact CD1-CG2 3.96Å; L269-I296 HydrophobicContact CD2-CB 4.29Å; L269-I296 HydrophobicContact CD2-CG2 3.9Å; L269-E297 HydrophobicContact CD2-CB 3.73Å; L269-E297 HydrophobicContact CD2-CG 4.47Å; L269-L300 HydrophobicContact CD2-CD1 4.21Å; L269-L313 HydrophobicContact CD1-CD1 3.83Å; L269-L313 HydrophobicContact CD1-CD2 4.26Å
270T94.3Very high92.8Very high47 Ų4764.1 Ų64.129%0.28832%0.319SS..Hα-helixtrans-59.1-46176.7-59.40000111.2Q266 I268 H273 E274Q266-T270 PolarHBondContact O-N 3.29Å; Q266-T270 PolarHBondContact O-OG1 3.11Å; Q266-T270 VanDerWaalsContact O-OG1 3.13Å; I268-T270 PolarHBondContact O-N 2.98Å; T270-H273 WeakPolarHBondContact O-CB 3.43Å; T270-H273 PolarHBondContact O-N 3.29Å; T270-E274 PolarHBondContact O-N 3.48Å; T270-E274 VanDerWaalsContact O-N 3.13Å
271S93.8Very high92.6Very high13 Ų1357.4 Ų57.49%0.09129%0.288CS..Hα-helixtrans-69-40.7-178-53.60000113.2Y229 D267 I268 L269 H273 E274 Y275Y229-S271 WeakPolarHBondContact CE1-OG 3.31Å; Y229-S271 PolarHBondContact OH-OG 2.87Å; Y229-S271 VanDerWaalsContact OH-OG 3.06Å; D267-S271 WeakPolarHBondContact O-CB 3.49Å; D267-S271 PolarHBondContact O-N 3.47Å; D267-S271 PolarHBondContact O-OG 3.5Å; I268-S271 PolarHBondContact O-N 3.26Å; L269-S271 VanDerWaalsContact C-N 3.35Å; L269-S271 PolarHBondContact O-N 3.35Å; S271-H273 VanDerWaalsContact C-N 3.28Å; S271-H273 PolarHBondContact O-N 2.88Å; S271-E274 PolarHBondContact O-N 3.46Å; S271-Y275 PolarHBondContact O-N 3.13Å; S271-Y275 VanDerWaalsContact O-N 3.11Å
272V95.3Very high92.7Very high0 Ų054.6 Ų54.60%028%0.279CS..Hα-helixtrans-62.2-39.1174166.40000110.4I235 F239 L242 I268 L269 E274 Y275 I276 M293 F317I235-V272 HydrophobicContact CG2-CG2 4.41Å; F239-V272 HydrophobicContact CD2-CG1 4.07Å; F239-V272 HydrophobicContact CE2-CG1 4.38Å; L242-V272 HydrophobicContact CD1-CG1 4.4Å; L242-V272 HydrophobicContact CD1-CG2 4.33Å; I268-V272 HydrophobicContact CG2-CG2 4.1Å; I268-V272 WeakPolarHBondContact O-CB 3.48Å; I268-V272 VanDerWaalsContact O-CG2 3.26Å; I268-V272 WeakPolarHBondContact O-CG2 3.5Å; I268-V272 PolarHBondContact O-N 3.45Å; L269-V272 PolarHBondContact O-N 2.67Å; V272-E274 PolarHBondContact O-N 2.7Å; V272-Y275 WeakPolarHBondContact O-CB 3.36Å; V272-Y275 PolarHBondContact O-N 3.02Å; V272-Y275 VanDerWaalsContact O-N 3.13Å; V272-I276 HydrophobicContact CG1-CD1 4.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.48Å; V272-I276 PolarHBondContact O-N 3.32Å; V272-M293 HydrophobicContact CB-CE 4Å; V272-M293 HydrophobicContact CG1-CE 3.74Å; V272-M293 HydrophobicContact CG1-SD 4.35Å; V272-F317 HydrophobicContact CG1-CE2 3.93Å; V272-F317 HydrophobicContact CG1-CZ 3.59Å
273H94.7Very high92.7Very high67 Ų6755.3 Ų55.331%0.3127%0.273SS..Hα-helixtrans-63.5-42.8178.6170.3-103.4000111.2L269 T270 S271 Y275 I276 H277 M293L269-H273 WeakPolarHBondContact O-CB 3.44Å; L269-H273 PolarHBondContact O-N 3.36Å; T270-H273 WeakPolarHBondContact O-CB 3.43Å; T270-H273 PolarHBondContact O-N 3.29Å; S271-H273 VanDerWaalsContact C-N 3.28Å; S271-H273 PolarHBondContact O-N 2.88Å; H273-Y275 VanDerWaalsContact C-N 3.26Å; H273-Y275 PolarHBondContact O-N 2.94Å; H273-I276 PolarHBondContact O-N 3.49Å; H273-H277 AromaticContact CD2-NE2 3.77Å; H273-H277 AromaticContact CE1-CD2 3.86Å; H273-H277 AromaticContact CE1-NE2 3.32Å; H273-H277 PolarHBondContact CE1-NE2 3Å; H273-H277 VanDerWaalsContact CE1-NE2 3.32Å; H273-H277 AromaticContact NE2-CD2 3.86Å; H273-H277 AromaticContact NE2-NE2 3.02Å; H273-H277 PolarHBondContact NE2-NE2 3.17Å; H273-H277 PolarHBondContact O-CD2 3.46Å; H273-M293 HydrophobicContact CB-CE 3.63Å; H273-M293 HydrophobicContact CB-SD 4.39Å
274E91Very high92.8Very high104 Ų10459.6 Ų59.649%0.48630%0.296SS..Hα-helixtrans-60.6-37.6173.1-68.9-172.3179.500112.4T270 S271 V272 H277T270-E274 PolarHBondContact O-N 3.48Å; T270-E274 VanDerWaalsContact O-N 3.13Å; S271-E274 PolarHBondContact O-N 3.46Å; V272-E274 PolarHBondContact O-N 2.7Å; E274-H277 PolarHBondContact O-N 3.44Å
275Y90.6Very high92.8Very high68 Ų6857.5 Ų57.527%0.26728%0.278SS..Hα-helixtrans-69.3-36.1179.5-150.7-102.6000112.5L236 F239 S271 V272 H273 H277 R278 V279L236-Y275 HydrophobicContact CD1-CE1 3.91Å; L236-Y275 VanDerWaalsContact CD1-OH 3.31Å; L236-Y275 WeakPolarHBondContact CD1-OH 3.41Å; F239-Y275 HydrophobicContact CB-CD1 4.39Å; F239-Y275 AromaticContact CD1-CD1 3.67Å; F239-Y275 HydrophobicContact CD1-CD1 3.67Å; F239-Y275 AromaticContact CD1-CE1 3.84Å; F239-Y275 HydrophobicContact CD1-CE1 3.84Å; F239-Y275 AromaticContact CD2-CD1 3.96Å; F239-Y275 HydrophobicContact CD2-CD1 3.96Å; F239-Y275 AromaticContact CE1-CD1 3.8Å; F239-Y275 HydrophobicContact CE1-CD1 3.8Å; F239-Y275 HydrophobicContact CE1-CE1 4.06Å; F239-Y275 HydrophobicContact CE2-CD1 4.11Å; F239-Y275 AromaticContact CG-CD1 3.74Å; F239-Y275 HydrophobicContact CG-CD1 3.74Å; F239-Y275 HydrophobicContact CG-CE1 4.26Å; F239-Y275 HydrophobicContact CZ-CD1 4.04Å; S271-Y275 PolarHBondContact O-N 3.13Å; S271-Y275 VanDerWaalsContact O-N 3.11Å; V272-Y275 WeakPolarHBondContact O-CB 3.36Å; V272-Y275 PolarHBondContact O-N 3.02Å; V272-Y275 VanDerWaalsContact O-N 3.13Å; H273-Y275 VanDerWaalsContact C-N 3.26Å; H273-Y275 PolarHBondContact O-N 2.94Å; Y275-H277 PolarHBondContact O-N 2.97Å; Y275-R278 PolarHBondContact O-N 2.95Å; Y275-V279 HydrophobicContact CD1-CG2 3.5Å; Y275-V279 HydrophobicContact CE1-CG2 3.36Å; Y275-V279 HydrophobicContact CG-CG2 4.46Å; Y275-V279 WeakPolarHBondContact O-CG2 3.22Å; Y275-V279 PolarHBondContact O-N 2.88Å; Y275-V279 VanDerWaalsContact O-N 3.1Å
276I91.5Very high92.7Very high0 Ų060.5 Ų60.50%029%0.29CS..Hα-helixtrans-55.6-36.6175.3-75167.5000112.1F239 V272 H273 R278 I281 R286 L289 M293 F317F239-I276 HydrophobicContact CE2-CG1 3.86Å; F239-I276 HydrophobicContact CZ-CG1 4.45Å; V272-I276 HydrophobicContact CG1-CD1 4.24Å; V272-I276 WeakPolarHBondContact O-CG1 3.48Å; V272-I276 PolarHBondContact O-N 3.32Å; H273-I276 PolarHBondContact O-N 3.49Å; I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 3.02Å; I276-I281 HydrophobicContact CG2-CD1 3.82Å; I276-R286 HydrophobicContact CG2-CG 4.04Å; I276-L289 HydrophobicContact CD1-CB 3.97Å; I276-L289 HydrophobicContact CD1-CD1 4.06Å; I276-L289 HydrophobicContact CG1-CD1 4.42Å; I276-M293 HydrophobicContact CD1-CE 4.33Å; I276-M293 HydrophobicContact CD1-SD 3.31Å; I276-M293 WeakPolarHBondContact CD1-SD 3.28Å; I276-F317 HydrophobicContact CD1-CZ 4.03Å; I276-F317 HydrophobicContact CG1-CZ 4.42Å
277H87.4Confident92.7Very high98 Ų9860.9 Ų60.945%0.45429%0.294SS..Hα-helixtrans-71.3-21.3177.6-69.6-64.7000113.4H273 E274 Y275H273-H277 AromaticContact CD2-NE2 3.77Å; H273-H277 AromaticContact CE1-CD2 3.86Å; H273-H277 AromaticContact CE1-NE2 3.32Å; H273-H277 PolarHBondContact CE1-NE2 3Å; H273-H277 VanDerWaalsContact CE1-NE2 3.32Å; H273-H277 AromaticContact NE2-CD2 3.86Å; H273-H277 AromaticContact NE2-NE2 3.02Å; H273-H277 PolarHBondContact NE2-NE2 3.17Å; H273-H277 PolarHBondContact O-CD2 3.46Å; E274-H277 PolarHBondContact O-N 3.44Å; Y275-H277 PolarHBondContact O-N 2.97Å
278R87.7Confident92.9Very high185 Ų18560.3 Ų60.370%0.69829%0.29SS*.Hα-helixtrans-92.5-22.5-179.6-60.1179-171.6-178.46.1112.7Y275 I276Y275-R278 PolarHBondContact O-N 2.95Å; I276-R278 VanDerWaalsContact C-N 3.26Å; I276-R278 PolarHBondContact O-N 3.02Å
279V87.6Confident92.9Very high40 Ų4060.2 Ų60.224%0.24229%0.29CS..SBendtrans-93.4139-177.8-178.20000111.3F239 Y275 I281 R286F239-V279 HydrophobicContact CE1-CB 4.43Å; F239-V279 HydrophobicContact CE1-CG1 4.35Å; F239-V279 HydrophobicContact CE1-CG2 3.92Å; F239-V279 HydrophobicContact CZ-CB 4.38Å; F239-V279 HydrophobicContact CZ-CG2 4.14Å; Y275-V279 HydrophobicContact CD1-CG2 3.5Å; Y275-V279 HydrophobicContact CE1-CG2 3.36Å; Y275-V279 HydrophobicContact CG-CG2 4.46Å; Y275-V279 WeakPolarHBondContact O-CG2 3.22Å; Y275-V279 PolarHBondContact O-N 2.88Å; Y275-V279 VanDerWaalsContact O-N 3.1Å; V279-I281 HydrophobicContact CG1-CG2 4.11Å; V279-I281 PolarHBondContact O-N 3.39Å; V279-R286 PolarHBondContact O-NH2 3.03Å
280K87Confident92.9Very high205 Ų20563.3 Ų63.389%0.89131%0.305SS*.  trans-75.790173.4-169.6-178.7-179.9-176.10110
281I89.5Confident93.1Very high12 Ų1266 Ų666%0.06232%0.318CS..  trans-108.2152165.858.2171.4000110.6I276 V279 R286 L289 I324I276-I281 HydrophobicContact CG2-CD1 3.82Å; V279-I281 HydrophobicContact CG1-CG2 4.11Å; V279-I281 PolarHBondContact O-N 3.39Å; I281-R286 HydrophobicContact CD1-CB 3.68Å; I281-R286 HydrophobicContact CD1-CG 4.02Å; I281-R286 HydrophobicContact CG1-CB 3.9Å; I281-R286 HydrophobicContact CG1-CG 4.33Å; I281-R286 VanDerWaalsContact O-CZ 3.26Å; I281-R286 PolarHBondContact O-NH1 3.35Å; I281-R286 PolarHBondContact O-NH2 3.12Å; I281-L289 HydrophobicContact CD1-CD1 3.92Å; I281-I324 HydrophobicContact CG2-CD1 4.29Å
282P93.1Very high93.3Very high32 Ų3271 Ų7121%0.20834%0.335CS..  trans-64.4153.8176.6-1327.1000112.3L284 A285 R286 I324 E327P282-L284 VanDerWaalsContact C-N 3.34Å; P282-L284 PolarHBondContact O-N 2.87Å; P282-A285 PolarHBondContact O-N 3.22Å; P282-R286 PolarHBondContact O-N 2.93Å; P282-I324 HydrophobicContact CG-CG1 4.08Å; P282-E327 HydrophobicContact CB-CB 4.45Å; P282-E327 VanDerWaalsContact CB-CD 3.48Å; P282-E327 WeakPolarHBondContact CB-OE2 3.44Å; P282-E327 HydrophobicContact CG-CB 4.39Å
283S93.7Very high93.4Very high80 Ų8071.2 Ų71.256%0.55934%0.336SS*.Hα-helixtrans-60.1-41.4-169.5-630000112.8R286 I287S283-R286 PolarHBondContact O-N 3.31Å; S283-I287 WeakPolarHBondContact O-CD1 3.47Å; S283-I287 WeakPolarHBondContact O-CG1 3.46Å; S283-I287 PolarHBondContact O-N 3.05Å
284L95.3Very high93.6Very high99 Ų9970.6 Ų70.652%0.51834%0.342SS..Hα-helixtrans-66.6-40.9-178.9-17365.1000111.8P282 I287 L288 I323 E327P282-L284 VanDerWaalsContact C-N 3.34Å; P282-L284 PolarHBondContact O-N 2.87Å; L284-I287 PolarHBondContact O-N 2.86Å; L284-L288 WeakPolarHBondContact O-CB 3.23Å; L284-L288 PolarHBondContact O-N 3.25Å; L284-I323 HydrophobicContact CB-CG2 3.87Å; L284-I323 HydrophobicContact CD2-CD1 4.45Å; L284-I323 HydrophobicContact CD2-CG2 3.9Å; L284-I323 HydrophobicContact CG-CD1 4.27Å; L284-I323 HydrophobicContact CG-CG2 4Å; L284-E327 WeakPolarHBondContact CB-OE1 3.02Å
285A95.7Very high93.9Very high0 Ų070.2 Ų70.20%034%0.34CS..Hα-helixtrans-64.3-4217400000111.6P282 L288 L289 A320 I323 I324P282-A285 PolarHBondContact O-N 3.22Å; A285-L288 PolarHBondContact O-N 3.45Å; A285-L289 WeakPolarHBondContact O-CG 3.25Å; A285-L289 PolarHBondContact O-N 3.45Å; A285-A320 HydrophobicContact CB-CB 4.24Å; A285-I323 HydrophobicContact CB-CB 4.27Å; A285-I323 HydrophobicContact CB-CG2 3.99Å; A285-I324 HydrophobicContact CB-CD1 4.31Å; A285-I324 HydrophobicContact CB-CG1 3.83Å
286R95.3Very high94.3Very high65 Ų6567.2 Ų67.225%0.24533%0.329CS..Hα-helixtrans-60.5-48.3175.9-169179.6-68.7100.83.2111.9I276 V279 I281 P282 S283 L288 L289 M290I276-R286 HydrophobicContact CG2-CG 4.04Å; V279-R286 PolarHBondContact O-NH2 3.03Å; I281-R286 HydrophobicContact CD1-CB 3.68Å; I281-R286 HydrophobicContact CD1-CG 4.02Å; I281-R286 HydrophobicContact CG1-CB 3.9Å; I281-R286 HydrophobicContact CG1-CG 4.33Å; I281-R286 VanDerWaalsContact O-CZ 3.26Å; I281-R286 PolarHBondContact O-NH1 3.35Å; I281-R286 PolarHBondContact O-NH2 3.12Å; P282-R286 PolarHBondContact O-N 2.93Å; S283-R286 PolarHBondContact O-N 3.31Å; R286-L288 VanDerWaalsContact C-N 3.34Å; R286-L288 PolarHBondContact O-N 2.8Å; R286-L289 PolarHBondContact O-N 3.39Å; R286-M290 HydrophobicContact CG-CG 4.41Å; R286-M290 HydrophobicContact CG-SD 3.9Å; R286-M290 WeakPolarHBondContact O-CB 3.48Å; R286-M290 VanDerWaalsContact O-CG 3.27Å; R286-M290 WeakPolarHBondContact O-CG 3.48Å; R286-M290 PolarHBondContact O-N 3.13Å
287I96.3Very high94.6Very high110 Ų11071.9 Ų71.956%0.56435%0.351SS*.Hα-helixtrans-59.3-47.4179.7-69.8162.8000110.2S283 L284 L289 M290 D291S283-I287 WeakPolarHBondContact O-CD1 3.47Å; S283-I287 WeakPolarHBondContact O-CG1 3.46Å; S283-I287 PolarHBondContact O-N 3.05Å; L284-I287 PolarHBondContact O-N 2.86Å; I287-L289 PolarHBondContact O-N 2.97Å; I287-M290 PolarHBondContact O-N 3.22Å; I287-D291 WeakPolarHBondContact O-CB 3.39Å; I287-D291 PolarHBondContact O-N 3.41Å
288L97.6Very high95.1Very high33 Ų3370 Ų7017%0.17334%0.344CS..Hα-helixtrans-58-50.2177.2174.770.4000111.8L284 A285 R286 M290 D291 R292 I319 A320 I323L284-L288 WeakPolarHBondContact O-CB 3.23Å; L284-L288 PolarHBondContact O-N 3.25Å; A285-L288 PolarHBondContact O-N 3.45Å; R286-L288 VanDerWaalsContact C-N 3.34Å; R286-L288 PolarHBondContact O-N 2.8Å; L288-M290 VanDerWaalsContact C-N 3.34Å; L288-M290 PolarHBondContact O-N 2.89Å; L288-D291 PolarHBondContact O-N 3.32Å; L288-R292 HydrophobicContact CD1-CG 3.94Å; L288-R292 HydrophobicContact CG-CG 4.34Å; L288-R292 WeakPolarHBondContact O-CB 3.43Å; L288-R292 VanDerWaalsContact O-CG 3.24Å; L288-R292 WeakPolarHBondContact O-CG 3.48Å; L288-R292 PolarHBondContact O-N 3.1Å; L288-I319 HydrophobicContact CD2-CB 3.81Å; L288-I319 HydrophobicContact CD2-CG2 3.41Å; L288-I319 VanDerWaalsContact CD2-CG2 3.41Å; L288-A320 HydrophobicContact CD2-CB 4.42Å; L288-I323 HydrophobicContact CB-CD1 4.49Å; L288-I323 HydrophobicContact CD2-CD1 3.68Å
289L97.7Very high95.6Very high1 Ų163.4 Ų63.41%0.00532%0.323CS..Hα-helixtrans-61.9-43.7-178.6-71.7175.6000111.3I276 I281 A285 R286 I287 R292 M293 F317 A320I276-L289 HydrophobicContact CD1-CB 3.97Å; I276-L289 HydrophobicContact CD1-CD1 4.06Å; I276-L289 HydrophobicContact CG1-CD1 4.42Å; I281-L289 HydrophobicContact CD1-CD1 3.92Å; A285-L289 WeakPolarHBondContact O-CG 3.25Å; A285-L289 PolarHBondContact O-N 3.45Å; R286-L289 PolarHBondContact O-N 3.39Å; I287-L289 PolarHBondContact O-N 2.97Å; L289-R292 PolarHBondContact O-N 2.93Å; L289-M293 VanDerWaalsContact O-CB 3.27Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 WeakPolarHBondContact O-CG 3.44Å; L289-M293 PolarHBondContact O-N 3.38Å; L289-F317 HydrophobicContact CD1-CD1 4.43Å; L289-F317 HydrophobicContact CD1-CE1 4.11Å; L289-F317 HydrophobicContact CD1-CZ 4.2Å; L289-F317 HydrophobicContact CD2-CD1 4.29Å; L289-F317 HydrophobicContact CD2-CD2 3.65Å; L289-F317 HydrophobicContact CD2-CE1 4.44Å; L289-F317 HydrophobicContact CD2-CE2 3.81Å; L289-F317 HydrophobicContact CD2-CG 3.91Å; L289-F317 HydrophobicContact CD2-CZ 4.21Å; L289-A320 HydrophobicContact CD1-CB 3.94Å; L289-A320 HydrophobicContact CD2-CB 3.75Å; L289-A320 HydrophobicContact CG-CB 3.73Å
290M96.6Very high96.1Very high70 Ų7062.9 Ų62.935%0.34532%0.318SS..Hα-helixtrans-61.1-45.9178.1-71176.469.900112.2R286 I287 L288 A294R286-M290 HydrophobicContact CG-CG 4.41Å; R286-M290 HydrophobicContact CG-SD 3.9Å; R286-M290 WeakPolarHBondContact O-CB 3.48Å; R286-M290 VanDerWaalsContact O-CG 3.27Å; R286-M290 WeakPolarHBondContact O-CG 3.48Å; R286-M290 PolarHBondContact O-N 3.13Å; I287-M290 PolarHBondContact O-N 3.22Å; L288-M290 VanDerWaalsContact C-N 3.34Å; L288-M290 PolarHBondContact O-N 2.89Å; M290-A294 WeakPolarHBondContact O-CB 3.47Å; M290-A294 PolarHBondContact O-N 3.17Å
291D97.9Very high96.5Very high105 Ų10557.2 Ų57.256%0.56130%0.304SS*.Hα-helixtrans-62.9-47.1178.3-177.563.1000111.8I287 L288 M293 A294 Q295I287-D291 WeakPolarHBondContact O-CB 3.39Å; I287-D291 PolarHBondContact O-N 3.41Å; L288-D291 PolarHBondContact O-N 3.32Å; D291-M293 PolarHBondContact O-N 3.17Å; D291-A294 PolarHBondContact O-N 3.04Å; D291-Q295 PolarHBondContact O-N 3.31Å; D291-Q295 VanDerWaalsContact O-N 3.1Å
292R98.1Very high96.8Very high116 Ų11663.7 Ų63.744%0.43833%0.332SS..Hα-helixtrans-64.9-42.2179.1-67.5-64.4-177.6-178-0112.5L288 L289 Q295 I296 S316L288-R292 HydrophobicContact CD1-CG 3.94Å; L288-R292 HydrophobicContact CG-CG 4.34Å; L288-R292 WeakPolarHBondContact O-CB 3.43Å; L288-R292 VanDerWaalsContact O-CG 3.24Å; L288-R292 WeakPolarHBondContact O-CG 3.48Å; L288-R292 PolarHBondContact O-N 3.1Å; L289-R292 PolarHBondContact O-N 2.93Å; R292-Q295 PolarHBondContact O-N 3.46Å; R292-I296 WeakPolarHBondContact O-CD1 3.42Å; R292-I296 WeakPolarHBondContact O-CG1 3.39Å; R292-I296 PolarHBondContact O-N 2.9Å; R292-S316 VanDerWaalsContact CB-OG 3.27Å; R292-S316 WeakPolarHBondContact CB-OG 3.47Å; R292-S316 WeakPolarHBondContact CG-OG 3.45Å
293M97.8Very high96.9Very high6 Ų665.4 Ų65.43%0.0336%0.356CS..Hα-helixtrans-66.8-36.9178-70177.579.500112L269 V272 H273 I276 L289 D291 Q295 I296 E297 L313L269-M293 HydrophobicContact CD1-CB 4.04Å; L269-M293 HydrophobicContact CD1-CE 3.57Å; L269-M293 HydrophobicContact CD1-CG 3.89Å; L269-M293 HydrophobicContact CG-CE 3.99Å; L269-M293 WeakPolarHBondContact O-CE 3.27Å; V272-M293 HydrophobicContact CB-CE 4Å; V272-M293 HydrophobicContact CG1-CE 3.74Å; V272-M293 HydrophobicContact CG1-SD 4.35Å; H273-M293 HydrophobicContact CB-CE 3.63Å; H273-M293 HydrophobicContact CB-SD 4.39Å; I276-M293 HydrophobicContact CD1-CE 4.33Å; I276-M293 HydrophobicContact CD1-SD 3.31Å; I276-M293 WeakPolarHBondContact CD1-SD 3.28Å; L289-M293 VanDerWaalsContact O-CB 3.27Å; L289-M293 WeakPolarHBondContact O-CB 3.46Å; L289-M293 WeakPolarHBondContact O-CG 3.44Å; L289-M293 PolarHBondContact O-N 3.38Å; D291-M293 PolarHBondContact O-N 3.17Å; M293-Q295 VanDerWaalsContact C-N 3.35Å; M293-Q295 PolarHBondContact O-N 3.1Å; M293-I296 PolarHBondContact O-N 3.27Å; M293-E297 WeakPolarHBondContact O-CB 3.29Å; M293-E297 PolarHBondContact O-N 3.44Å; M293-L313 HydrophobicContact CE-CD1 4.35Å; M293-L313 HydrophobicContact CG-CD1 3.92Å; M293-L313 HydrophobicContact SD-CD1 4.44Å
294A98Very high97.1Very high53 Ų5363.3 Ų63.344%0.43834%0.344SS..Hα-helixtrans-62.3-41.8173.600000111.8M290 D291 E297 D298M290-A294 WeakPolarHBondContact O-CB 3.47Å; M290-A294 PolarHBondContact O-N 3.17Å; D291-A294 PolarHBondContact O-N 3.04Å; A294-E297 PolarHBondContact O-N 3.12Å; A294-D298 WeakPolarHBondContact O-CB 3.47Å; A294-D298 PolarHBondContact O-N 3.13Å
295Q98.2Very high97.1Very high96 Ų9661.6 Ų61.645%0.44934%0.34SS..Hα-helixtrans-65.4-38.3174.9-17460.871.200112.3D291 R292 M293 D298 N299D291-Q295 PolarHBondContact O-N 3.31Å; D291-Q295 VanDerWaalsContact O-N 3.1Å; R292-Q295 PolarHBondContact O-N 3.46Å; M293-Q295 VanDerWaalsContact C-N 3.35Å; M293-Q295 PolarHBondContact O-N 3.1Å; Q295-D298 PolarHBondContact NE2-OD2 3.01Å; Q295-N299 PolarHBondContact NE2-OD1 3.39Å; Q295-N299 VanDerWaalsContact NE2-OD1 3.1Å; Q295-N299 WeakPolarHBondContact O-CB 3.45Å; Q295-N299 PolarHBondContact O-N 3.27Å; Q295-N299 PolarHBondContact O-ND2 3.39Å; Q295-N299 PolarHBondContact O-OD1 2.97Å
296I98.4Very high97.1Very high5 Ų564.3 Ų64.33%0.02635%0.354CS..Hα-helixtrans-65.3-44.1176-68.2162.5000110.4L269 R292 M293 N299 L300 Q309 A312 L313L269-I296 HydrophobicContact CD1-CB 4.29Å; L269-I296 HydrophobicContact CD1-CG2 3.96Å; L269-I296 HydrophobicContact CD2-CB 4.29Å; L269-I296 HydrophobicContact CD2-CG2 3.9Å; R292-I296 WeakPolarHBondContact O-CD1 3.42Å; R292-I296 WeakPolarHBondContact O-CG1 3.39Å; R292-I296 PolarHBondContact O-N 2.9Å; M293-I296 PolarHBondContact O-N 3.27Å; I296-N299 PolarHBondContact O-N 3.11Å; I296-L300 HydrophobicContact CG2-CD1 3.99Å; I296-L300 HydrophobicContact CG2-CG 4.36Å; I296-L300 WeakPolarHBondContact O-CB 3.39Å; I296-L300 VanDerWaalsContact O-CG 3.32Å; I296-L300 WeakPolarHBondContact O-CG 3.44Å; I296-L300 PolarHBondContact O-N 2.96Å; I296-Q309 HydrophobicContact CG2-CB 4.01Å; I296-Q309 HydrophobicContact CG2-CG 4.5Å; I296-A312 HydrophobicContact CD1-CB 4.15Å; I296-A312 HydrophobicContact CG1-CB 4.2Å; I296-L313 HydrophobicContact CD1-CB 3.96Å; I296-L313 HydrophobicContact CD1-CD1 4.24Å
297E98Very high97.1Very high98 Ų9868 Ų6846%0.45837%0.372SS..Hα-helixtrans-59.4-47.1176.4-174.1175.8-148.700111.4L269 M293 A294 N299 L300 S301L269-E297 HydrophobicContact CD2-CB 3.73Å; L269-E297 HydrophobicContact CD2-CG 4.47Å; M293-E297 WeakPolarHBondContact O-CB 3.29Å; M293-E297 PolarHBondContact O-N 3.44Å; A294-E297 PolarHBondContact O-N 3.12Å; E297-N299 PolarHBondContact O-N 3.02Å; E297-L300 PolarHBondContact O-N 3.5Å; E297-S301 WeakPolarHBondContact O-CB 3.35Å; E297-S301 PolarHBondContact O-N 3.48Å
298D98.2Very high97.2Very high60 Ų6067.9 Ų67.932%0.32137%0.372SS..Hα-helixtrans-60.2-44.2175.8176.962.2000111.9A294 Q295 S301 K302A294-D298 WeakPolarHBondContact O-CB 3.47Å; A294-D298 PolarHBondContact O-N 3.13Å; Q295-D298 PolarHBondContact NE2-OD2 3.01Å; D298-S301 PolarHBondContact O-N 2.91Å; D298-S301 PolarHBondContact O-OG 3.47Å; D298-K302 WeakPolarHBondContact O-CG 3.24Å; D298-K302 PolarHBondContact O-N 3.15Å; D298-K302 WeakPolarHBondContact OD1-CE 3.44Å; D298-K302 IonicContact OD1-NZ 3.71Å; D298-K302 PolarHBondContact OD1-NZ 3.45Å; D298-K302 IonicContact OD2-NZ 2.68Å; D298-K302 PolarHBondContact OD2-NZ 3.22Å
299N98.3Very high97.2Very high45 Ų4567 Ų6724%0.24137%0.366CS..Hα-helixtrans-62.2-45.4176.4-70.9-19000112.2Q295 I296 E297 S301 K302 G303 A304 Q309Q295-N299 PolarHBondContact NE2-OD1 3.39Å; Q295-N299 VanDerWaalsContact NE2-OD1 3.1Å; Q295-N299 WeakPolarHBondContact O-CB 3.45Å; Q295-N299 PolarHBondContact O-N 3.27Å; Q295-N299 PolarHBondContact O-ND2 3.39Å; Q295-N299 PolarHBondContact O-OD1 2.97Å; I296-N299 PolarHBondContact O-N 3.11Å; E297-N299 PolarHBondContact O-N 3.02Å; N299-S301 VanDerWaalsContact C-N 3.31Å; N299-S301 PolarHBondContact O-N 3.47Å; N299-K302 PolarHBondContact O-N 3.06Å; N299-K302 VanDerWaalsContact O-N 3.14Å; N299-G303 PolarHBondContact O-N 2.94Å; N299-A304 HydrophobicContact CB-CB 3.79Å; N299-A304 WeakPolarHBondContact O-CB 3.27Å; N299-A304 PolarHBondContact O-N 3.39Å; N299-Q309 HydrophobicContact CB-CG 4.31Å; N299-Q309 PolarHBondContact ND2-OE1 3.04Å
300L97.2Very high97.2Very high29 Ų2967 Ų6715%0.15237%0.366CS..Hα-helixtrans-61.4-41.5177.1-72.6172.7000110.9L265 L269 I296 E297 K302 G303 Q309L265-L300 HydrophobicContact CD2-CD1 4.21Å; L265-L300 HydrophobicContact CD2-CD2 4.2Å; L265-L300 HydrophobicContact CG-CD1 4.14Å; L269-L300 HydrophobicContact CD2-CD1 4.21Å; I296-L300 HydrophobicContact CG2-CD1 3.99Å; I296-L300 HydrophobicContact CG2-CG 4.36Å; I296-L300 WeakPolarHBondContact O-CB 3.39Å; I296-L300 VanDerWaalsContact O-CG 3.32Å; I296-L300 WeakPolarHBondContact O-CG 3.44Å; I296-L300 PolarHBondContact O-N 2.96Å; E297-L300 PolarHBondContact O-N 3.5Å; L300-K302 PolarHBondContact O-N 3.32Å; L300-G303 PolarHBondContact O-N 3Å; L300-Q309 HydrophobicContact CD2-CB 3.88Å; L300-Q309 HydrophobicContact CD2-CG 3.74Å; L300-Q309 HydrophobicContact CG-CB 4.24Å; L300-Q309 HydrophobicContact CG-CG 4.03Å
301S96.1Very high97.3Very high86 Ų8666.1 Ų66.160%0.60137%0.367SS*.Hα-helixtrans-61.4-25.7176.783.10000113.4E297 D298 N299E297-S301 WeakPolarHBondContact O-CB 3.35Å; E297-S301 PolarHBondContact O-N 3.48Å; D298-S301 PolarHBondContact O-N 2.91Å; D298-S301 PolarHBondContact O-OG 3.47Å; N299-S301 VanDerWaalsContact C-N 3.31Å; N299-S301 PolarHBondContact O-N 3.47Å
302K96.5Very high97.3Very high148 Ų14862.8 Ų62.864%0.64335%0.354SS*.THydrogen-bonded Turntrans-92.64.6177.6-67.6168-176.4165.80113.5D298 N299 L300D298-K302 WeakPolarHBondContact O-CG 3.24Å; D298-K302 PolarHBondContact O-N 3.15Å; D298-K302 WeakPolarHBondContact OD1-CE 3.44Å; D298-K302 IonicContact OD1-NZ 3.71Å; D298-K302 PolarHBondContact OD1-NZ 3.45Å; D298-K302 IonicContact OD2-NZ 2.68Å; D298-K302 PolarHBondContact OD2-NZ 3.22Å; N299-K302 PolarHBondContact O-N 3.06Å; N299-K302 VanDerWaalsContact O-N 3.14Å; L300-K302 PolarHBondContact O-N 3.32Å
303G94.8Very high97.3Very high68 Ų6857.4 Ų57.470%0.70133%0.334SS*.THydrogen-bonded Turntrans79.224.8179.300000114.4N299 L300N299-G303 PolarHBondContact O-N 2.94Å; L300-G303 PolarHBondContact O-N 3Å
304A96.4Very high97.3Very high37 Ų3757.1 Ų57.131%0.30633%0.333SS..  trans-62.7155.5173.100000111.9N299 D306 Q309N299-A304 HydrophobicContact CB-CB 3.79Å; N299-A304 WeakPolarHBondContact O-CB 3.27Å; N299-A304 PolarHBondContact O-N 3.39Å; A304-D306 PolarHBondContact O-N 2.83Å; A304-D306 VanDerWaalsContact O-N 3.14Å; A304-Q309 HydrophobicContact CB-CG 4.2Å
305S96.7Very high97.3Very high62 Ų6257.3 Ų57.343%0.43433%0.331SS..  trans-58.4117.9-179.1174.70000112.1K307 I308 Q309S305-K307 VanDerWaalsContact C-N 3.3Å; S305-K307 PolarHBondContact O-N 3.03Å; S305-I308 PolarHBondContact O-N 3.17Å; S305-I308 VanDerWaalsContact O-N 3.1Å; S305-Q309 WeakPolarHBondContact O-CG 3.47Å; S305-Q309 PolarHBondContact O-N 3.1Å
306D94.7Very high97.3Very high57 Ų5753 Ų5331%0.30531%0.311SS..Hα-helixtrans-51.7-44.9177.2176.8-81.4000112.7R258 L265 A304 I308 Q309 L310R258-D306 IonicContact CZ-OD1 2.66Å; R258-D306 IonicContact CZ-OD2 3.12Å; R258-D306 IonicContact NH1-OD1 3.03Å; R258-D306 PolarHBondContact NH1-OD1 3.15Å; R258-D306 IonicContact NH1-OD2 3.91Å; R258-D306 IonicContact NH2-OD1 2.65Å; R258-D306 PolarHBondContact NH2-OD1 2.83Å; R258-D306 IonicContact NH2-OD2 3.81Å; R258-D306 PolarHBondContact NH2-OD2 3.08Å; L265-D306 VanDerWaalsContact CB-OD2 3.23Å; L265-D306 WeakPolarHBondContact CB-OD2 3.22Å; L265-D306 WeakPolarHBondContact CD2-O 3.45Å; A304-D306 PolarHBondContact O-N 2.83Å; A304-D306 VanDerWaalsContact O-N 3.14Å; D306-I308 PolarHBondContact O-N 3.02Å; D306-Q309 PolarHBondContact O-N 3.16Å; D306-L310 PolarHBondContact O-N 3.42Å
307K96.2Very high97.2Very high142 Ų14252.8 Ų52.862%0.61731%0.31SS*.Hα-helixtrans-61.3-42.4178.7-67.5-178.4179.5179.20112.3S305 L310 S311S305-K307 VanDerWaalsContact C-N 3.3Å; S305-K307 PolarHBondContact O-N 3.03Å; K307-L310 PolarHBondContact O-N 2.99Å; K307-S311 PolarHBondContact O-N 3.23Å; K307-S311 VanDerWaalsContact O-N 3.13Å; K307-S311 PolarHBondContact O-OG 2.92Å
308I97.4Very high97.2Very high109 Ų10949.9 Ų49.956%0.55930%0.297SS*.Hα-helixtrans-67.5-41178.7-63.7178.8000110.1S305 D306 S311 A312S305-I308 PolarHBondContact O-N 3.17Å; S305-I308 VanDerWaalsContact O-N 3.1Å; D306-I308 PolarHBondContact O-N 3.02Å; I308-S311 PolarHBondContact O-N 2.88Å; I308-A312 PolarHBondContact O-N 3.36Å
309Q98.2Very high97.1Very high14 Ų1450.3 Ų50.37%0.06530%0.298CS..Hα-helixtrans-67.4-35.7178.4-65.7-40.2-61.100112.3L265 I296 N299 L300 A304 S305 D306 A312 L313L265-Q309 HydrophobicContact CD2-CB 3.76Å; I296-Q309 HydrophobicContact CG2-CB 4.01Å; I296-Q309 HydrophobicContact CG2-CG 4.5Å; N299-Q309 HydrophobicContact CB-CG 4.31Å; N299-Q309 PolarHBondContact ND2-OE1 3.04Å; L300-Q309 HydrophobicContact CD2-CB 3.88Å; L300-Q309 HydrophobicContact CD2-CG 3.74Å; L300-Q309 HydrophobicContact CG-CB 4.24Å; L300-Q309 HydrophobicContact CG-CG 4.03Å; A304-Q309 HydrophobicContact CB-CG 4.2Å; S305-Q309 WeakPolarHBondContact O-CG 3.47Å; S305-Q309 PolarHBondContact O-N 3.1Å; D306-Q309 PolarHBondContact O-N 3.16Å; Q309-A312 WeakPolarHBondContact O-CB 3.41Å; Q309-A312 PolarHBondContact O-N 2.73Å; Q309-L313 PolarHBondContact O-N 3.33Å
310L98.1Very high97Very high1 Ų148.2 Ų48.21%0.00529%0.287CS..Hα-helixtrans-62.3-46.8171.8175.459.3000111.2Y251 I254 T255 L265 D306 K307 A312 L313 I314Y251-L310 HydrophobicContact CD2-CD2 4.06Å; Y251-L310 HydrophobicContact CD2-CG 4.11Å; Y251-L310 HydrophobicContact CE2-CB 4.42Å; Y251-L310 HydrophobicContact CE2-CD2 3.92Å; Y251-L310 HydrophobicContact CE2-CG 4.12Å; I254-L310 HydrophobicContact CB-CD1 4.39Å; I254-L310 HydrophobicContact CG2-CD1 3.72Å; I254-L310 HydrophobicContact CG2-CD2 4.27Å; T255-L310 WeakPolarHBondContact OG1-CD2 3.34Å; L265-L310 HydrophobicContact CD1-CB 4.39Å; L265-L310 HydrophobicContact CD1-CD1 4.06Å; L265-L310 HydrophobicContact CD2-CB 4.04Å; D306-L310 PolarHBondContact O-N 3.42Å; K307-L310 PolarHBondContact O-N 2.99Å; L310-A312 VanDerWaalsContact C-N 3.26Å; L310-A312 PolarHBondContact O-N 2.92Å; L310-L313 WeakPolarHBondContact O-CB 3.49Å; L310-L313 PolarHBondContact O-N 3.44Å; L310-L313 VanDerWaalsContact O-N 3.17Å; L310-I314 HydrophobicContact CD1-CD1 3.93Å; L310-I314 HydrophobicContact CD1-CG1 4.28Å; L310-I314 HydrophobicContact CG-CD1 3.9Å; L310-I314 WeakPolarHBondContact O-CG1 3.48Å; L310-I314 PolarHBondContact O-N 3.42Å
311S97.8Very high96.9Very high51 Ų5150.1 Ų50.136%0.35729%0.292SS..Hα-helixtrans-60.2-38.1175.3-58.50000112.1Y251 K307 I308 I314 S315Y251-S311 VanDerWaalsContact CE2-OG 3.3Å; Y251-S311 WeakPolarHBondContact CE2-OG 3.46Å; K307-S311 PolarHBondContact O-N 3.23Å; K307-S311 VanDerWaalsContact O-N 3.13Å; K307-S311 PolarHBondContact O-OG 2.92Å; I308-S311 PolarHBondContact O-N 2.88Å; S311-I314 PolarHBondContact O-N 3.24Å; S311-S315 VanDerWaalsContact O-CB 3.29Å; S311-S315 WeakPolarHBondContact O-CB 3.31Å; S311-S315 PolarHBondContact O-N 3.42Å
312A98.1Very high96.8Very high36 Ų3650.7 Ų50.730%0.29829%0.288SS..Hα-helixtrans-64.6-40.6175.500000112.1I296 I308 Q309 L310 S316I296-A312 HydrophobicContact CD1-CB 4.15Å; I296-A312 HydrophobicContact CG1-CB 4.2Å; I308-A312 PolarHBondContact O-N 3.36Å; Q309-A312 WeakPolarHBondContact O-CB 3.41Å; Q309-A312 PolarHBondContact O-N 2.73Å; L310-A312 VanDerWaalsContact C-N 3.26Å; L310-A312 PolarHBondContact O-N 2.92Å; A312-S316 WeakPolarHBondContact O-CB 3.5Å; A312-S316 PolarHBondContact O-N 2.94Å; A312-S316 PolarHBondContact O-OG 3.48Å
313L98.3Very high96.7Very high2 Ų244.9 Ų44.91%0.0126%0.264CS..Hα-helixtrans-60.9-51.5174.7-177.961.1000110.8L242 L265 L269 M293 I296 Q309 L310 S315 S316 F317L242-L313 HydrophobicContact CD1-CD2 4.49Å; L242-L313 HydrophobicContact CD2-CG 4.41Å; L265-L313 HydrophobicContact CD1-CD2 4.3Å; L269-L313 HydrophobicContact CD1-CD1 3.83Å; L269-L313 HydrophobicContact CD1-CD2 4.26Å; M293-L313 HydrophobicContact CE-CD1 4.35Å; M293-L313 HydrophobicContact CG-CD1 3.92Å; M293-L313 HydrophobicContact SD-CD1 4.44Å; I296-L313 HydrophobicContact CD1-CB 3.96Å; I296-L313 HydrophobicContact CD1-CD1 4.24Å; Q309-L313 PolarHBondContact O-N 3.33Å; L310-L313 WeakPolarHBondContact O-CB 3.49Å; L310-L313 PolarHBondContact O-N 3.44Å; L310-L313 VanDerWaalsContact O-N 3.17Å; L313-S315 PolarHBondContact O-N 2.77Å; L313-S316 WeakPolarHBondContact O-CB 3.41Å; L313-S316 PolarHBondContact O-N 2.88Å; L313-S316 VanDerWaalsContact O-N 3.11Å; L313-F317 HydrophobicContact CD1-CD2 4.11Å; L313-F317 HydrophobicContact CD1-CE2 3.85Å; L313-F317 HydrophobicContact CG-CD2 4.47Å; L313-F317 HydrophobicContact CG-CE2 4.49Å; L313-F317 WeakPolarHBondContact O-CD2 3.4Å; L313-F317 PolarHBondContact O-N 3.21Å; L313-F317 VanDerWaalsContact O-N 3.13Å
314I98.1Very high96.6Very high0 Ų044 Ų440%024%0.243CC..Hα-helixtrans-58.8-48.8179.1-66.5160.3000110.4L242 V247 A250 Y251 I254 L310 S311 S316 F317 Q318L242-I314 HydrophobicContact CD2-CB 4.27Å; L242-I314 HydrophobicContact CD2-CG1 3.64Å; V247-I314 HydrophobicContact CB-CG2 4.5Å; V247-I314 HydrophobicContact CG1-CG2 4.26Å; A250-I314 HydrophobicContact CB-CG1 4.48Å; A250-I314 HydrophobicContact CB-CG2 4.01Å; Y251-I314 VanDerWaalsContact CA-CD1 3.42Å; Y251-I314 HydrophobicContact CD2-CD1 3.86Å; Y251-I314 HydrophobicContact CG-CD1 4.25Å; I254-I314 HydrophobicContact CD1-CD1 4.47Å; I254-I314 HydrophobicContact CD1-CG1 4.28Å; L310-I314 HydrophobicContact CD1-CD1 3.93Å; L310-I314 HydrophobicContact CD1-CG1 4.28Å; L310-I314 HydrophobicContact CG-CD1 3.9Å; L310-I314 WeakPolarHBondContact O-CG1 3.48Å; L310-I314 PolarHBondContact O-N 3.42Å; S311-I314 PolarHBondContact O-N 3.24Å; I314-S316 PolarHBondContact O-N 3.2Å; I314-F317 PolarHBondContact O-N 3.41Å; I314-F317 VanDerWaalsContact O-N 3.12Å; I314-Q318 WeakPolarHBondContact O-CG 3.31Å; I314-Q318 PolarHBondContact O-N 3.3Å
315S97.7Very high96.4Very high57 Ų5744.5 Ų44.540%0.39925%0.247SC..Hα-helixtrans-58.7-36.3177.6-178.10000112.4S311 L313 F317 Q318 I319S311-S315 VanDerWaalsContact O-CB 3.29Å; S311-S315 WeakPolarHBondContact O-CB 3.31Å; S311-S315 PolarHBondContact O-N 3.42Å; L313-S315 PolarHBondContact O-N 2.77Å; S315-F317 VanDerWaalsContact C-N 3.34Å; S315-Q318 PolarHBondContact O-N 3.44Å; S315-I319 WeakPolarHBondContact O-CG1 3.35Å; S315-I319 PolarHBondContact O-N 3.22Å; S315-I319 VanDerWaalsContact O-N 3.15Å
316S98Very high96.2Very high6 Ų648.5 Ų48.54%0.04226%0.257CS..Hα-helixtrans-65.8-39.7178.3-590000111.5R292 A312 L313 I314 I319 A320R292-S316 VanDerWaalsContact CB-OG 3.27Å; R292-S316 WeakPolarHBondContact CB-OG 3.47Å; R292-S316 WeakPolarHBondContact CG-OG 3.45Å; A312-S316 WeakPolarHBondContact O-CB 3.5Å; A312-S316 PolarHBondContact O-N 2.94Å; A312-S316 PolarHBondContact O-OG 3.48Å; L313-S316 WeakPolarHBondContact O-CB 3.41Å; L313-S316 PolarHBondContact O-N 2.88Å; L313-S316 VanDerWaalsContact O-N 3.11Å; I314-S316 PolarHBondContact O-N 3.2Å; S316-I319 PolarHBondContact O-N 3.46Å; S316-A320 WeakPolarHBondContact O-CB 3.26Å; S316-A320 PolarHBondContact O-N 3.29Å
317F97.5Very high95.8Very high0 Ų049.2 Ų49.20%026%0.259CS..Hα-helixtrans-66.8-36.4173.4-87.7-100.1000112.7F239 L242 L243 V272 I276 L289 L313 I314 S315 I319 A320 R321F239-F317 HydrophobicContact CD2-CE1 4.07Å; F239-F317 HydrophobicContact CD2-CZ 4.17Å; F239-F317 AromaticContact CE2-CE1 3.68Å; F239-F317 HydrophobicContact CE2-CE1 3.68Å; F239-F317 AromaticContact CE2-CZ 3.87Å; F239-F317 HydrophobicContact CE2-CZ 3.87Å; F239-F317 HydrophobicContact CZ-CE1 4.28Å; L242-F317 HydrophobicContact CB-CB 4.08Å; L242-F317 HydrophobicContact CB-CD1 3.63Å; L242-F317 HydrophobicContact CB-CD2 4.21Å; L242-F317 HydrophobicContact CB-CE1 4.06Å; L242-F317 HydrophobicContact CB-CG 3.71Å; L242-F317 HydrophobicContact CD1-CD2 4.1Å; L242-F317 HydrophobicContact CD1-CE1 4.4Å; L242-F317 HydrophobicContact CD1-CE2 3.91Å; L242-F317 HydrophobicContact CD1-CG 4.44Å; L242-F317 HydrophobicContact CD1-CZ 4.06Å; L242-F317 HydrophobicContact CD2-CB 4.45Å; L242-F317 HydrophobicContact CD2-CD2 4.2Å; L242-F317 HydrophobicContact CD2-CG 4.33Å; L242-F317 HydrophobicContact CG-CD2 4.41Å; L242-F317 HydrophobicContact CG-CG 4.38Å; L242-F317 WeakPolarHBondContact O-CB 3.47Å; L243-F317 HydrophobicContact CD2-CD1 3.78Å; L243-F317 HydrophobicContact CD2-CE1 4.15Å; L243-F317 HydrophobicContact CG-CD1 4.05Å; L243-F317 HydrophobicContact CG-CE1 4.21Å; V272-F317 HydrophobicContact CG1-CE2 3.93Å; V272-F317 HydrophobicContact CG1-CZ 3.59Å; I276-F317 HydrophobicContact CD1-CZ 4.03Å; I276-F317 HydrophobicContact CG1-CZ 4.42Å; L289-F317 HydrophobicContact CD1-CD1 4.43Å; L289-F317 HydrophobicContact CD1-CE1 4.11Å; L289-F317 HydrophobicContact CD1-CZ 4.2Å; L289-F317 HydrophobicContact CD2-CD1 4.29Å; L289-F317 HydrophobicContact CD2-CD2 3.65Å; L289-F317 HydrophobicContact CD2-CE1 4.44Å; L289-F317 HydrophobicContact CD2-CE2 3.81Å; L289-F317 HydrophobicContact CD2-CG 3.91Å; L289-F317 HydrophobicContact CD2-CZ 4.21Å; L313-F317 HydrophobicContact CD1-CD2 4.11Å; L313-F317 HydrophobicContact CD1-CE2 3.85Å; L313-F317 HydrophobicContact CG-CD2 4.47Å; L313-F317 HydrophobicContact CG-CE2 4.49Å; L313-F317 WeakPolarHBondContact O-CD2 3.4Å; L313-F317 PolarHBondContact O-N 3.21Å; L313-F317 VanDerWaalsContact O-N 3.13Å; I314-F317 PolarHBondContact O-N 3.41Å; I314-F317 VanDerWaalsContact O-N 3.12Å; S315-F317 VanDerWaalsContact C-N 3.34Å; F317-I319 PolarHBondContact O-N 2.94Å; F317-A320 WeakPolarHBondContact O-CB 3.45Å; F317-A320 PolarHBondContact O-N 3.28Å; F317-R321 VanDerWaalsContact O-CG 3.26Å; F317-R321 WeakPolarHBondContact O-CG 3.46Å; F317-R321 PolarHBondContact O-N 2.88Å
318Q97Very high95.1Very high37 Ų3745.2 Ų45.217%0.17325%0.252CS..Hα-helixtrans-60.4-46.3174-62.1-57-38.100112.3E245 V247 I314 S315 A320 R321 D322E245-Q318 PolarHBondContact O-NE2 2.88Å; V247-Q318 HydrophobicContact CG2-CG 3.65Å; I314-Q318 WeakPolarHBondContact O-CG 3.31Å; I314-Q318 PolarHBondContact O-N 3.3Å; S315-Q318 PolarHBondContact O-N 3.44Å; Q318-A320 VanDerWaalsContact C-N 3.29Å; Q318-A320 PolarHBondContact O-N 3.19Å; Q318-R321 WeakPolarHBondContact O-CB 3.42Å; Q318-R321 PolarHBondContact O-N 2.84Å; Q318-D322 PolarHBondContact O-N 3.25Å
319I96.5Very high94Very high70 Ų7047.5 Ų47.536%0.35926%0.257SS..Hα-helixtrans-64.5-38.6176.7-59165.8000110.4L288 S315 S316 F317 R321 D322 I323L288-I319 HydrophobicContact CD2-CB 3.81Å; L288-I319 HydrophobicContact CD2-CG2 3.41Å; L288-I319 VanDerWaalsContact CD2-CG2 3.41Å; S315-I319 WeakPolarHBondContact O-CG1 3.35Å; S315-I319 PolarHBondContact O-N 3.22Å; S315-I319 VanDerWaalsContact O-N 3.15Å; S316-I319 PolarHBondContact O-N 3.46Å; F317-I319 PolarHBondContact O-N 2.94Å; I319-R321 VanDerWaalsContact C-N 3.33Å; I319-R321 PolarHBondContact O-N 3.4Å; I319-D322 PolarHBondContact O-N 3.32Å; I319-I323 HydrophobicContact CG2-CD1 4.39Å; I319-I323 WeakPolarHBondContact O-CG1 3.49Å; I319-I323 PolarHBondContact O-N 3.19Å
320A96.2Very high92.4Very high0 Ų052.6 Ų52.60%029%0.289CS..Hα-helixtrans-62.8-38.517600000112.2A285 L288 L289 S316 F317 Q318 D322 I323 I324A285-A320 HydrophobicContact CB-CB 4.24Å; L288-A320 HydrophobicContact CD2-CB 4.42Å; L289-A320 HydrophobicContact CD1-CB 3.94Å; L289-A320 HydrophobicContact CD2-CB 3.75Å; L289-A320 HydrophobicContact CG-CB 3.73Å; S316-A320 WeakPolarHBondContact O-CB 3.26Å; S316-A320 PolarHBondContact O-N 3.29Å; F317-A320 WeakPolarHBondContact O-CB 3.45Å; F317-A320 PolarHBondContact O-N 3.28Å; Q318-A320 VanDerWaalsContact C-N 3.29Å; Q318-A320 PolarHBondContact O-N 3.19Å; A320-D322 PolarHBondContact O-N 3.3Å; A320-I323 WeakPolarHBondContact O-CB 3.06Å; A320-I323 PolarHBondContact O-N 2.87Å; A320-I324 WeakPolarHBondContact O-CD1 3.23Å; A320-I324 WeakPolarHBondContact O-CG1 3.01Å; A320-I324 PolarHBondContact O-N 3.05Å
321R94.8Very high90.8Very high69 Ų6958.8 Ų58.826%0.2633%0.327SS..Hα-helixtrans-61-42.5174.6-69.1165.767.7176.218112.2L243 N244 E245 F317 Q318 I319 I323 I324 A325L243-R321 HydrophobicContact CD2-CG 4.38Å; L243-R321 WeakPolarHBondContact O-CD 3.32Å; L243-R321 WeakPolarHBondContact O-CG 3.43Å; L243-R321 PolarHBondContact O-NE 3Å; N244-R321 PolarHBondContact O-NH2 2.72Å; E245-R321 PolarHBondContact O-NH1 3.23Å; F317-R321 VanDerWaalsContact O-CG 3.26Å; F317-R321 WeakPolarHBondContact O-CG 3.46Å; F317-R321 PolarHBondContact O-N 2.88Å; Q318-R321 WeakPolarHBondContact O-CB 3.42Å; Q318-R321 PolarHBondContact O-N 2.84Å; I319-R321 VanDerWaalsContact C-N 3.33Å; I319-R321 PolarHBondContact O-N 3.4Å; R321-I323 VanDerWaalsContact C-N 3.28Å; R321-I323 PolarHBondContact O-N 3.19Å; R321-I324 WeakPolarHBondContact O-CB 3.5Å; R321-I324 PolarHBondContact O-N 2.9Å; R321-A325 WeakPolarHBondContact O-CB 3.41Å; R321-A325 PolarHBondContact O-N 3.26Å
322D94.1Very high88.6Confident98 Ų9867 Ų6752%0.52436%0.36SS..Hα-helixtrans-62.1-38.8177-71.7-21.1000111.8Q318 I319 A320 K326Q318-D322 PolarHBondContact O-N 3.25Å; I319-D322 PolarHBondContact O-N 3.32Å; A320-D322 PolarHBondContact O-N 3.3Å; D322-K326 WeakPolarHBondContact O-CB 3.47Å; D322-K326 VanDerWaalsContact O-CG 3.23Å; D322-K326 WeakPolarHBondContact O-CG 3.2Å; D322-K326 PolarHBondContact O-N 3.5Å
323I94.5Very high88.1Confident27 Ų2768.6 Ų68.614%0.13836%0.363CS..Hα-helixtrans-65.4-46.9174.3-65.6166.4000110.2L284 A285 L288 I319 A320 R321 A325 K326 E327L284-I323 HydrophobicContact CB-CG2 3.87Å; L284-I323 HydrophobicContact CD2-CD1 4.45Å; L284-I323 HydrophobicContact CD2-CG2 3.9Å; L284-I323 HydrophobicContact CG-CD1 4.27Å; L284-I323 HydrophobicContact CG-CG2 4Å; A285-I323 HydrophobicContact CB-CB 4.27Å; A285-I323 HydrophobicContact CB-CG2 3.99Å; L288-I323 HydrophobicContact CB-CD1 4.49Å; L288-I323 HydrophobicContact CD2-CD1 3.68Å; I319-I323 HydrophobicContact CG2-CD1 4.39Å; I319-I323 WeakPolarHBondContact O-CG1 3.49Å; I319-I323 PolarHBondContact O-N 3.19Å; A320-I323 WeakPolarHBondContact O-CB 3.06Å; A320-I323 PolarHBondContact O-N 2.87Å; R321-I323 VanDerWaalsContact C-N 3.28Å; R321-I323 PolarHBondContact O-N 3.19Å; I323-A325 VanDerWaalsContact C-N 3.34Å; I323-A325 PolarHBondContact O-N 2.94Å; I323-K326 PolarHBondContact O-N 3.25Å; I323-E327 PolarHBondContact O-N 2.96Å
324I93.2Very high87.6Confident48 Ų4872.1 Ų72.125%0.24638%0.382CS..Hα-helixtrans-57.3-47.9177.9-68.1161.8000110.9L243 I281 P282 A285 A320 R321 K326 E327 A328L243-I324 HydrophobicContact CD2-CD1 4.36Å; I281-I324 HydrophobicContact CG2-CD1 4.29Å; P282-I324 HydrophobicContact CG-CG1 4.08Å; A285-I324 HydrophobicContact CB-CD1 4.31Å; A285-I324 HydrophobicContact CB-CG1 3.83Å; A320-I324 WeakPolarHBondContact O-CD1 3.23Å; A320-I324 WeakPolarHBondContact O-CG1 3.01Å; A320-I324 PolarHBondContact O-N 3.05Å; R321-I324 WeakPolarHBondContact O-CB 3.5Å; R321-I324 PolarHBondContact O-N 2.9Å; I324-K326 VanDerWaalsContact C-N 3.34Å; I324-K326 PolarHBondContact O-N 3.42Å; I324-E327 PolarHBondContact O-N 3.46Å; I324-A328 WeakPolarHBondContact O-CB 3.38Å; I324-A328 PolarHBondContact O-N 3.38Å
325A92.1Very high87Confident49 Ų4976.1 Ų76.141%0.40540%0.403SS..Hα-helixtrans-65.7-36.1-179.400000112.6R321 I323 K329R321-A325 WeakPolarHBondContact O-CB 3.41Å; R321-A325 PolarHBondContact O-N 3.26Å; I323-A325 VanDerWaalsContact C-N 3.34Å; I323-A325 PolarHBondContact O-N 2.94Å; A325-K329 WeakPolarHBondContact O-CG 3.43Å; A325-K329 PolarHBondContact O-N 3.15Å
326K91.6Very high86.3Confident146 Ų14677.2 Ų77.264%0.63540%0.403SS*.Hα-helixtrans-67.6-44.9175.2-76170.7-176174.10111.8D322 I323 I324 K329 V330D322-K326 WeakPolarHBondContact O-CB 3.47Å; D322-K326 VanDerWaalsContact O-CG 3.23Å; D322-K326 WeakPolarHBondContact O-CG 3.2Å; D322-K326 PolarHBondContact O-N 3.5Å; I323-K326 PolarHBondContact O-N 3.25Å; I324-K326 VanDerWaalsContact C-N 3.34Å; I324-K326 PolarHBondContact O-N 3.42Å; K326-K329 PolarHBondContact O-N 3.32Å; K326-V330 WeakPolarHBondContact O-CG2 3.41Å; K326-V330 PolarHBondContact O-N 3.34Å
327E86.1Confident85.6Confident72 Ų7281.7 Ų81.734%0.33643%0.426SS..Hα-helixtrans-68.4-36178.7-72.9-166.9-145.400112.2P282 L284 I323 I324 K329 V330P282-E327 HydrophobicContact CB-CB 4.45Å; P282-E327 VanDerWaalsContact CB-CD 3.48Å; P282-E327 WeakPolarHBondContact CB-OE2 3.44Å; P282-E327 HydrophobicContact CG-CB 4.39Å; L284-E327 WeakPolarHBondContact CB-OE1 3.02Å; I323-E327 PolarHBondContact O-N 2.96Å; I324-E327 PolarHBondContact O-N 3.46Å; E327-K329 VanDerWaalsContact C-N 3.26Å; E327-K329 PolarHBondContact O-N 3.45Å; E327-V330 PolarHBondContact O-N 3.39Å; E327-V330 VanDerWaalsContact O-N 3.15Å
328A82.5Confident84.8Confident57 Ų5787.1 Ų87.147%0.47145%0.454SS..Hα-helixtrans-58.8-37.1174.700000112.5I324 V330I324-A328 WeakPolarHBondContact O-CB 3.38Å; I324-A328 PolarHBondContact O-N 3.38Å; A328-V330 VanDerWaalsContact C-N 3.34Å; A328-V330 PolarHBondContact O-N 3.49Å
329K74.1Confident83.9Confident157 Ų15790.7 Ų90.768%0.68347%0.474SS*.Hα-helixtrans-75-16.7178-69.9177.6-177.7-174.70114.8A325 K326 E327A325-K329 WeakPolarHBondContact O-CG 3.43Å; A325-K329 PolarHBondContact O-N 3.15Å; K326-K329 PolarHBondContact O-N 3.32Å; E327-K329 VanDerWaalsContact C-N 3.26Å; E327-K329 PolarHBondContact O-N 3.45Å
330V64.6Low83Confident121 Ų12192.3 Ų92.373%0.73348%0.483SS*.Hα-helixtrans-86.1-16.6179174.60000111.4K326 E327 A328K326-V330 WeakPolarHBondContact O-CG2 3.41Å; K326-V330 PolarHBondContact O-N 3.34Å; E327-V330 PolarHBondContact O-N 3.39Å; E327-V330 VanDerWaalsContact O-N 3.15Å; A328-V330 VanDerWaalsContact C-N 3.34Å; A328-V330 PolarHBondContact O-N 3.49Å
331V64.6Low81.9Confident131 Ų131100 Ų10079%0.79452%0.523SS*.  trans-91.4-14.2-178.9-178.70000112.5
332E50.4Low80.7Confident225 Ų225102.8 Ų102.8100%1.05155%0.547SS*.  trans-82.20172.2-68.6-178167.800112.3

Retrieved 332 of 332 residues in 277.9 ms (Link to these results)

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