A0A087XY05_POEFO Loading...

L-serine ammonia-lyase

AlphaFold DB , UniProt , Accession A0A087XY05, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 322 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
1M42.7Very low86.3Confident241 Ų24189.6 Ų89.6100%1.18746%0.458SS*.  0120.80-127.5179-80.500106.5Q3M1-Q3 PolarHBondContact O-N 3.24Å; M1-Q3 VanDerWaalsContact O-N 3.15Å
2L53.2Low87.3Confident146 Ų14688.5 Ų88.576%0.76445%0.453SS*.  trans-59.9117.1172.2-90.3143.5000107.3H4L2-H4 PolarHBondContact O-N 3.46Å
3Q77.4Confident88.2Confident167 Ų16790.2 Ų90.278%0.7846%0.458SS*.  trans-77.7107-179.7-170.6173.513.600108M1 Q48M1-Q3 PolarHBondContact O-N 3.24Å; M1-Q3 VanDerWaalsContact O-N 3.15Å; Q3-Q48 PolarHBondContact O-NE2 3.32Å
4H90.5Very high88.9Confident100 Ų10083.8 Ų83.846%0.46343%0.426SS..  trans-75.7149.6172.8-61.8-62.6000110.8L2 H6L2-H4 PolarHBondContact O-N 3.46Å; H4-H6 AromaticContact CG-CE1 3.69Å; H4-H6 AromaticContact ND1-CE1 3.96Å
5F96.3Very high89.5Confident35 Ų3584.3 Ų84.315%0.15443%0.434CS..SBendtrans-82-23174.6-65-59.7000113.4I40 Q48 V72 K75 M76F5-I40 HydrophobicContact CB-CD1 4.23Å; F5-I40 HydrophobicContact CB-CG1 4.12Å; F5-I40 VanDerWaalsContact O-CD1 3.26Å; F5-I40 WeakPolarHBondContact O-CD1 3.36Å; F5-Q48 HydrophobicContact CD2-CG 3.87Å; F5-Q48 HydrophobicContact CE2-CG 3.35Å; F5-Q48 VanDerWaalsContact CE2-NE2 3.35Å; F5-Q48 HydrophobicContact CZ-CG 4.26Å; F5-V72 HydrophobicContact CB-CG2 4Å; F5-V72 HydrophobicContact CD2-CB 4.43Å; F5-V72 HydrophobicContact CD2-CG1 3.63Å; F5-V72 HydrophobicContact CD2-CG2 4.11Å; F5-V72 HydrophobicContact CE2-CG1 3.68Å; F5-V72 HydrophobicContact CG-CG1 4.26Å; F5-V72 HydrophobicContact CG-CG2 4.12Å; F5-V72 HydrophobicContact CZ-CG1 4.4Å; F5-K75 HydrophobicContact CD1-CB 3.85Å; F5-K75 HydrophobicContact CD1-CG 4.43Å; F5-K75 HydrophobicContact CE1-CB 3.63Å; F5-M76 HydrophobicContact CE1-CG 4.15Å; F5-M76 HydrophobicContact CE2-CG 3.8Å; F5-M76 HydrophobicContact CE2-SD 3.82Å; F5-M76 HydrophobicContact CZ-CG 3.28Å; F5-M76 HydrophobicContact CZ-SD 3.95Å
6H97.7Very high89.9Confident22 Ų2281.2 Ų81.210%0.10242%0.422CS..SBendtrans-81.4157.817066.8-92.3000110.2H4 I40 R41 S143 E147H4-H6 AromaticContact CG-CE1 3.69Å; H4-H6 AromaticContact ND1-CE1 3.96Å; H6-I40 HydrophobicContact CB-CG2 3.87Å; H6-R41 HydrophobicContact CB-CB 4.48Å; H6-R41 HydrophobicContact CB-CG 3.79Å; H6-R41 PolarHBondContact CD2-NH1 3.38Å; H6-R41 PolarHBondContact NE2-NH1 3.13Å; H6-S143 PolarHBondContact CE1-OG 3.01Å; H6-S143 PolarHBondContact NE2-OG 3.49Å; H6-S143 VanDerWaalsContact NE2-OG 3.1Å; H6-E147 IonicContact CD2-OE1 3.42Å; H6-E147 PolarHBondContact CD2-OE1 3.44Å; H6-E147 IonicContact NE2-OE1 3.53Å
7V97.8Very high90.4Very high66 Ų6676.4 Ų76.440%0.440%0.397SS..  trans-106.6157.6171.8-57.90000110T9 Q33 P34V7-T9 HydrophobicContact CG2-CG2 4.12Å; V7-T9 PolarHBondContact O-N 3.33Å; V7-T9 VanDerWaalsContact O-N 3.14Å; V7-Q33 PolarHBondContact O-NE2 3.27Å; V7-Q33 VanDerWaalsContact O-NE2 3.11Å; V7-P34 HydrophobicContact CG1-CG 3.98Å
8N98Very high90.8Very high107 Ų10773.2 Ų73.257%0.57238%0.382SS*.  trans-72105.1166.9-174.1-2.7000108.9K28 E147N8-K28 PolarHBondContact OD1-NZ 2.8Å; N8-K28 VanDerWaalsContact OD1-NZ 3.07Å; N8-E147 WeakPolarHBondContact CA-OE2 3.46Å; N8-E147 HydrophobicContact CB-CG 4.36Å; N8-E147 PolarHBondContact OD1-OE2 2.57Å
9T98.6Very high91.1Very high3 Ų378.2 Ų78.22%0.01840%0.401CS..  trans-77.9151.3-177.551.60000111.4V7 K28 M29 E30 C32 Q33 R41V7-T9 HydrophobicContact CG2-CG2 4.12Å; V7-T9 PolarHBondContact O-N 3.33Å; V7-T9 VanDerWaalsContact O-N 3.14Å; T9-K28 PolarHBondContact O-NZ 2.76Å; T9-K28 WeakPolarHBondContact OG1-CD 3.13Å; T9-K28 WeakPolarHBondContact OG1-CE 3.41Å; T9-K28 PolarHBondContact OG1-NZ 3.42Å; T9-K28 VanDerWaalsContact OG1-NZ 3.13Å; T9-M29 VanDerWaalsContact CB-O 3.31Å; T9-M29 WeakPolarHBondContact CB-O 3.4Å; T9-M29 VanDerWaalsContact CG2-O 3.29Å; T9-M29 WeakPolarHBondContact CG2-O 3.44Å; T9-E30 WeakPolarHBondContact CG2-OE1 3.37Å; T9-E30 PolarHBondContact OG1-OE1 2.77Å; T9-C32 HydrophobicContact CG2-CB 4.36Å; T9-Q33 HydrophobicContact CG2-CG 3.94Å; T9-R41 PolarHBondContact OG1-NH2 3.4Å
10P98.5Very high91.3Very high63 Ų6377.9 Ų77.941%0.40940%0.398SS..  trans-56.2145.5176.5-26.134.9000113.2L12 M29P10-L12 HydrophobicContact CB-CD2 3.82Å; P10-L12 HydrophobicContact CB-CG 3.98Å; P10-M29 HydrophobicContact CB-CB 4.46Å; P10-M29 HydrophobicContact CB-CG 4.38Å; P10-M29 PolarHBondContact O-N 3Å
11L98.7Very high91.6Very high36 Ų3674.1 Ų74.119%0.18838%0.379CS..EExtended strand (participates in β ladder)trans-107.3107.9163.5-173.671.5000107.4L27 K28 A151 L152 L299L11-L27 WeakPolarHBondContact CA-O 3.24Å; L11-K28 HydrophobicContact CD1-CB 4.15Å; L11-K28 HydrophobicContact CD1-CD 4.41Å; L11-A151 HydrophobicContact CB-CB 3.9Å; L11-A151 HydrophobicContact CD2-CB 3.72Å; L11-A151 HydrophobicContact CG-CB 4.46Å; L11-L152 HydrophobicContact CD2-CD2 3.86Å; L11-L152 HydrophobicContact CD2-CG 3.77Å; L11-L299 HydrophobicContact CD1-CD1 3.51Å
12L98.4Very high94.1Very high76 Ų7666 Ų6640%0.39836%0.357SS..EExtended strand (participates in β ladder)trans-109.6137.9-173.4-56.7-178.4000110.5P10 Y26 L27 M29P10-L12 HydrophobicContact CB-CD2 3.82Å; P10-L12 HydrophobicContact CB-CG 3.98Å; L12-Y26 CarbonylContact O-C 3.53Å; L12-Y26 VanDerWaalsContact O-CA 3.31Å; L12-Y26 WeakPolarHBondContact O-CA 3.26Å; L12-L27 PolarHBondContact N-O 2.73Å; L12-L27 PolarHBondContact O-N 3.07Å; L12-M29 HydrophobicContact CD1-CE 4.47Å; L12-M29 HydrophobicContact CD1-CG 3.74Å; L12-M29 HydrophobicContact CD1-SD 4.27Å; L12-M29 HydrophobicContact CG-CG 3.95Å
13E98.4Very high96.2Very high110 Ų11060.1 Ų60.151%0.51433%0.327SS..EExtended strand (participates in β ladder)trans-82.5125168.3-168.8177.3157.700109.8V25 Y26E13-V25 WeakPolarHBondContact CA-O 3.44Å; E13-Y26 HydrophobicContact CB-CD1 3.95Å; E13-Y26 HydrophobicContact CB-CE1 3.77Å; E13-Y26 HydrophobicContact CG-CD1 4.3Å; E13-Y26 HydrophobicContact CG-CE1 3.96Å
14S98.4Very high97.2Very high1 Ų153.3 Ų53.31%0.00730%0.299CS..  trans-95.2113.8174.3173.10000110.6S16 M17 S18 V25 E262S14-S16 PolarHBondContact OG-OG 2.83Å; S14-M17 WeakPolarHBondContact OG-CB 3.44Å; S14-M17 VanDerWaalsContact OG-CG 3.27Å; S14-M17 WeakPolarHBondContact OG-CG 3.08Å; S14-M17 PolarHBondContact OG-N 3.39Å; S14-S18 WeakPolarHBondContact O-CB 3.44Å; S14-S18 PolarHBondContact O-N 3.13Å; S14-S18 PolarHBondContact O-OG 2.7Å; S14-V25 PolarHBondContact N-O 3.44Å; S14-E262 WeakPolarHBondContact CB-OE1 3.28Å; S14-E262 PolarHBondContact OG-OE1 2.95Å
15V97.4Very high97.6Very high92 Ų9248.5 Ų48.556%0.55828%0.277SS*.Hα-helixtrans-68.9-39.1-179.5177.30000111.7K19V15-K19 WeakPolarHBondContact O-CG 3.45Å; V15-K19 PolarHBondContact O-N 3.35Å
16S96.2Very high97.7Very high34 Ų3449.5 Ų49.524%0.23828%0.28CS..Hα-helixtrans-67.3-49.4-179.9550000111.1S14 S18 K19 M20 E261S14-S16 PolarHBondContact OG-OG 2.83Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.33Å; S16-K19 PolarHBondContact O-N 3.03Å; S16-M20 PolarHBondContact O-N 3.31Å; S16-E261 VanDerWaalsContact CB-OE2 3.28Å; S16-E261 WeakPolarHBondContact CB-OE2 3.17Å; S16-E261 PolarHBondContact OG-OE2 3.42Å
17M98.1Very high97.8Very high0 Ų048.5 Ų48.50%028%0.276CS..Hα-helixtrans-66.4-35.3179.3-62-176.187.300111.3S14 K19 M20 A21 V25 L27 F258 L274 I277 Y278S14-M17 WeakPolarHBondContact OG-CB 3.44Å; S14-M17 VanDerWaalsContact OG-CG 3.27Å; S14-M17 WeakPolarHBondContact OG-CG 3.08Å; S14-M17 PolarHBondContact OG-N 3.39Å; M17-K19 VanDerWaalsContact C-N 3.35Å; M17-K19 PolarHBondContact O-N 2.94Å; M17-M20 PolarHBondContact O-N 3.35Å; M17-A21 WeakPolarHBondContact O-CB 3.35Å; M17-A21 PolarHBondContact O-N 2.88Å; M17-V25 HydrophobicContact CB-CB 4.03Å; M17-V25 HydrophobicContact CB-CG1 3.87Å; M17-V25 HydrophobicContact CB-CG2 4.15Å; M17-V25 HydrophobicContact SD-CG1 4.42Å; M17-L27 HydrophobicContact SD-CD1 4.37Å; M17-L27 HydrophobicContact SD-CD2 3.82Å; M17-F258 HydrophobicContact SD-CD2 4.31Å; M17-F258 HydrophobicContact SD-CE2 4.31Å; M17-L274 HydrophobicContact CE-CD2 3.71Å; M17-L274 HydrophobicContact SD-CD2 4.37Å; M17-I277 HydrophobicContact CB-CG2 4.02Å; M17-I277 HydrophobicContact CE-CB 3.84Å; M17-I277 HydrophobicContact CE-CD1 3.39Å; M17-I277 HydrophobicContact CE-CG1 4.21Å; M17-I277 HydrophobicContact CE-CG2 4.06Å; M17-I277 HydrophobicContact CG-CG2 4.45Å; M17-Y278 HydrophobicContact CE-CD2 4.3Å; M17-Y278 HydrophobicContact CE-CE2 3.76Å; M17-Y278 HydrophobicContact CG-CE1 4.47Å; M17-Y278 HydrophobicContact SD-CE2 4.46Å
18S98.3Very high97.8Very high18 Ų1845.3 Ų45.313%0.12626%0.257CS..Hα-helixtrans-61.3-42175.2-62.10000112.6S14 S16 M20 A21 G22 T23 A24 V25S14-S18 WeakPolarHBondContact O-CB 3.44Å; S14-S18 PolarHBondContact O-N 3.13Å; S14-S18 PolarHBondContact O-OG 2.7Å; S16-S18 VanDerWaalsContact C-N 3.31Å; S16-S18 PolarHBondContact O-N 3.33Å; S18-M20 PolarHBondContact O-N 3.46Å; S18-A21 PolarHBondContact O-N 2.91Å; S18-G22 PolarHBondContact O-N 3.29Å; S18-T23 CarbonylContact C-O 3.57Å; S18-T23 WeakPolarHBondContact CA-O 3.43Å; S18-T23 WeakPolarHBondContact CB-O 3.39Å; S18-T23 PolarHBondContact O-N 3.48Å; S18-T23 VanDerWaalsContact O-O 3.14Å; S18-A24 WeakPolarHBondContact OG-CA 3.29Å; S18-V25 PolarHBondContact OG-N 3.28Å
19K96.2Very high97.9Very high169 Ų16940.5 Ų40.574%0.73523%0.231SC*.Hα-helixtrans-62.6-41.4176-73.3173.3-177.1178.50112.1V15 S16 M17V15-K19 WeakPolarHBondContact O-CG 3.45Å; V15-K19 PolarHBondContact O-N 3.35Å; S16-K19 PolarHBondContact O-N 3.03Å; M17-K19 VanDerWaalsContact C-N 3.35Å; M17-K19 PolarHBondContact O-N 2.94Å
20M95.3Very high97.9Very high71 Ų7140.4 Ų40.435%0.3523%0.23SC..Hα-helixtrans-72.1-38.7178.9-72.9-167-69.400113.2S16 M17 S18 G22 I277 Y278S16-M20 PolarHBondContact O-N 3.31Å; M17-M20 PolarHBondContact O-N 3.35Å; S18-M20 PolarHBondContact O-N 3.46Å; M20-G22 VanDerWaalsContact C-N 3.3Å; M20-I277 HydrophobicContact CB-CG2 4.21Å; M20-I277 HydrophobicContact CE-CG2 4.39Å; M20-Y278 HydrophobicContact CE-CD1 3.19Å; M20-Y278 HydrophobicContact CE-CE1 3.26Å; M20-Y278 HydrophobicContact CE-CG 4.27Å; M20-Y278 HydrophobicContact SD-CD1 4.13Å
21A96.7Very high97.8Very high0 Ų038.9 Ų38.90%022%0.218CC..Hα-helixtrans-75.7-18.9179.600000113.1M17 S18 T23 V25 I277M17-A21 WeakPolarHBondContact O-CB 3.35Å; M17-A21 PolarHBondContact O-N 2.88Å; S18-A21 PolarHBondContact O-N 2.91Å; A21-T23 HydrophobicContact CB-CG2 4.32Å; A21-T23 PolarHBondContact O-N 3.09Å; A21-V25 HydrophobicContact CB-CG2 3.7Å; A21-I277 HydrophobicContact CB-CG2 4.26Å
22G96.1Very high97.8Very high70 Ų7040.4 Ų40.472%0.72223%0.231SC*.THydrogen-bonded Turntrans71.314-174.600000113.9S18 M20S18-G22 PolarHBondContact O-N 3.29Å; M20-G22 VanDerWaalsContact C-N 3.3Å
23T97.4Very high97.8Very high22 Ų2237 Ų3714%0.13521%0.214CC..SBendtrans-151.4162.9175.2-171.10000109S18 A21 V25 L295 R296 L298S18-T23 CarbonylContact C-O 3.57Å; S18-T23 WeakPolarHBondContact CA-O 3.43Å; S18-T23 WeakPolarHBondContact CB-O 3.39Å; S18-T23 PolarHBondContact O-N 3.48Å; S18-T23 VanDerWaalsContact O-O 3.14Å; A21-T23 HydrophobicContact CB-CG2 4.32Å; A21-T23 PolarHBondContact O-N 3.09Å; T23-V25 PolarHBondContact O-N 2.99Å; T23-L295 WeakPolarHBondContact CB-O 3.36Å; T23-L295 HydrophobicContact CG2-CB 4.28Å; T23-L295 HydrophobicContact CG2-CD2 4.11Å; T23-L295 HydrophobicContact CG2-CG 4.4Å; T23-L295 PolarHBondContact OG1-O 3.11Å; T23-R296 PolarHBondContact OG1-O 3.46Å; T23-L298 HydrophobicContact CG2-CB 4.46Å
24A98.2Very high97.7Very high24 Ų2433.9 Ų33.920%0.19820%0.202CC..  trans-60.2136176.500000110.9S18 Y26 P297 L298S18-A24 WeakPolarHBondContact OG-CA 3.29Å; A24-Y26 HydrophobicContact CB-CE2 4.43Å; A24-P297 HydrophobicContact CB-CB 3.95Å; A24-P297 HydrophobicContact CB-CG 4.08Å; A24-P297 CarbonylContact O-C 3.47Å; A24-P297 WeakPolarHBondContact O-CA 3.3Å; A24-L298 PolarHBondContact O-N 3.17Å
25V98.8Very high97.5Very high0 Ų034 Ų340%020%0.204CC..EExtended strand (participates in β ladder)trans-116.8115.8178.41740000108.7E13 S14 M17 S18 A21 T23 L27 I277 L298 V300E13-V25 WeakPolarHBondContact CA-O 3.44Å; S14-V25 PolarHBondContact N-O 3.44Å; M17-V25 HydrophobicContact CB-CB 4.03Å; M17-V25 HydrophobicContact CB-CG1 3.87Å; M17-V25 HydrophobicContact CB-CG2 4.15Å; M17-V25 HydrophobicContact SD-CG1 4.42Å; S18-V25 PolarHBondContact OG-N 3.28Å; A21-V25 HydrophobicContact CB-CG2 3.7Å; T23-V25 PolarHBondContact O-N 2.99Å; V25-L27 HydrophobicContact CG1-CD2 3.88Å; V25-I277 HydrophobicContact CG1-CD1 3.87Å; V25-I277 HydrophobicContact CG2-CD1 4.19Å; V25-L298 HydrophobicContact CG2-CB 4.32Å; V25-L298 HydrophobicContact CG2-CD2 4.39Å; V25-V300 HydrophobicContact CG1-CG2 3.68Å
26Y98.8Very high97.4Very high56 Ų5630.6 Ų30.622%0.2219%0.187CC..EExtended strand (participates in β ladder)trans-101.7126.1173.8-65.4-65.3000110.9L12 E13 A24 L152 P297 L298 L299 V300L12-Y26 CarbonylContact O-C 3.53Å; L12-Y26 VanDerWaalsContact O-CA 3.31Å; L12-Y26 WeakPolarHBondContact O-CA 3.26Å; E13-Y26 HydrophobicContact CB-CD1 3.95Å; E13-Y26 HydrophobicContact CB-CE1 3.77Å; E13-Y26 HydrophobicContact CG-CD1 4.3Å; E13-Y26 HydrophobicContact CG-CE1 3.96Å; A24-Y26 HydrophobicContact CB-CE2 4.43Å; Y26-L152 HydrophobicContact CD2-CD2 3.69Å; Y26-L152 HydrophobicContact CE2-CD2 3.64Å; Y26-L152 HydrophobicContact CG-CD2 4.26Å; Y26-P297 HydrophobicContact CD2-CB 3.61Å; Y26-P297 HydrophobicContact CE2-CB 3.4Å; Y26-P297 VanDerWaalsContact CE2-CB 3.4Å; Y26-P297 HydrophobicContact CE2-CG 3.88Å; Y26-L298 PolarHBondContact N-O 2.92Å; Y26-L299 CarbonylContact O-C 3.54Å; Y26-V300 PolarHBondContact O-N 3.13Å
27L98.9Very high97.5Very high0 Ų029 Ų290%018%0.176CC..EExtended strand (participates in β ladder)trans-98.9114.1179.5-55.3-177.4000109.6L11 L12 M17 V25 M29 F258 E262 V300 V302L11-L27 WeakPolarHBondContact CA-O 3.24Å; L12-L27 PolarHBondContact N-O 2.73Å; L12-L27 PolarHBondContact O-N 3.07Å; M17-L27 HydrophobicContact SD-CD1 4.37Å; M17-L27 HydrophobicContact SD-CD2 3.82Å; V25-L27 HydrophobicContact CG1-CD2 3.88Å; L27-M29 HydrophobicContact CB-SD 3.7Å; L27-M29 HydrophobicContact CD1-SD 4.32Å; L27-M29 PolarHBondContact O-N 3.34Å; L27-F258 HydrophobicContact CD1-CE2 3.76Å; L27-F258 HydrophobicContact CD1-CZ 4.17Å; L27-E262 HydrophobicContact CD1-CG 4.03Å; L27-V300 HydrophobicContact CD2-CB 3.85Å; L27-V300 HydrophobicContact CD2-CG1 4.38Å; L27-V300 HydrophobicContact CD2-CG2 4.09Å; L27-V302 HydrophobicContact CB-CG2 3.88Å; L27-V302 HydrophobicContact CD2-CG2 4.07Å; L27-V302 HydrophobicContact CG-CG2 4.42Å
28K98.9Very high97.5Very high0 Ų030.1 Ų30.10%018%0.181CC..EExtended strand (participates in β ladder)trans-86.1105.1168.9-174.157.5171.1170.90108.5N8 T9 L11 E30 V144 E147 L299 V300 I301 V302N8-K28 PolarHBondContact OD1-NZ 2.8Å; N8-K28 VanDerWaalsContact OD1-NZ 3.07Å; T9-K28 PolarHBondContact O-NZ 2.76Å; T9-K28 WeakPolarHBondContact OG1-CD 3.13Å; T9-K28 WeakPolarHBondContact OG1-CE 3.41Å; T9-K28 PolarHBondContact OG1-NZ 3.42Å; T9-K28 VanDerWaalsContact OG1-NZ 3.13Å; L11-K28 HydrophobicContact CD1-CB 4.15Å; L11-K28 HydrophobicContact CD1-CD 4.41Å; K28-E30 VanDerWaalsContact C-N 3.28Å; K28-E30 HydrophobicContact CG-CG 4.41Å; K28-E30 PolarHBondContact O-N 2.75Å; K28-V144 HydrophobicContact CD-CG2 4.5Å; K28-V144 HydrophobicContact CG-CG2 3.63Å; K28-E147 WeakPolarHBondContact CE-OE2 3.16Å; K28-E147 IonicContact NZ-OE2 2.62Å; K28-E147 PolarHBondContact NZ-OE2 3.49Å; K28-L299 HydrophobicContact CB-CD1 4.14Å; K28-V300 PolarHBondContact N-O 3.35Å; K28-I301 HydrophobicContact CB-CD1 4.02Å; K28-I301 HydrophobicContact CG-CD1 4.35Å; K28-V302 WeakPolarHBondContact O-CB 3.21Å; K28-V302 PolarHBondContact O-N 3.44Å
29M98.7Very high97.5Very high6 Ų630.8 Ų30.83%0.0318%0.181CC..  trans-78.664.8-165-62.3-56.9-75.900113.3T9 P10 L12 L27 N31 C32 F258 V264 V302T9-M29 VanDerWaalsContact CB-O 3.31Å; T9-M29 WeakPolarHBondContact CB-O 3.4Å; T9-M29 VanDerWaalsContact CG2-O 3.29Å; T9-M29 WeakPolarHBondContact CG2-O 3.44Å; P10-M29 HydrophobicContact CB-CB 4.46Å; P10-M29 HydrophobicContact CB-CG 4.38Å; P10-M29 PolarHBondContact O-N 3Å; L12-M29 HydrophobicContact CD1-CE 4.47Å; L12-M29 HydrophobicContact CD1-CG 3.74Å; L12-M29 HydrophobicContact CD1-SD 4.27Å; L12-M29 HydrophobicContact CG-CG 3.95Å; L27-M29 HydrophobicContact CB-SD 3.7Å; L27-M29 HydrophobicContact CD1-SD 4.32Å; L27-M29 PolarHBondContact O-N 3.34Å; M29-N31 WeakPolarHBondContact CA-OD1 3.49Å; M29-N31 VanDerWaalsContact CE-OD1 3.31Å; M29-N31 WeakPolarHBondContact CE-OD1 3.4Å; M29-N31 PolarHBondContact O-N 2.91Å; M29-C32 WeakPolarHBondContact O-CB 3.38Å; M29-C32 PolarHBondContact O-N 2.86Å; M29-F258 HydrophobicContact CE-CZ 4.33Å; M29-V264 HydrophobicContact CE-CG2 3.88Å; M29-V302 HydrophobicContact SD-CB 4.23Å; M29-V302 HydrophobicContact SD-CG1 4.42Å; M29-V302 HydrophobicContact SD-CG2 3.94Å
30E98.8Very high97.6Very high0 Ų022.8 Ų22.80%015%0.146CC..G310 helixtrans-67.5-13.8-179.9-68.1-62107.100114.2T9 K28 C32 Q33 S37 F38 R41 V144 I301 V302T9-E30 WeakPolarHBondContact CG2-OE1 3.37Å; T9-E30 PolarHBondContact OG1-OE1 2.77Å; K28-E30 VanDerWaalsContact C-N 3.28Å; K28-E30 HydrophobicContact CG-CG 4.41Å; K28-E30 PolarHBondContact O-N 2.75Å; E30-C32 PolarHBondContact O-N 3.21Å; E30-Q33 WeakPolarHBondContact O-CB 3.46Å; E30-Q33 VanDerWaalsContact O-CG 3.28Å; E30-Q33 WeakPolarHBondContact O-CG 3.47Å; E30-Q33 PolarHBondContact O-N 2.92Å; E30-Q33 PolarHBondContact OE1-NE2 3.44Å; E30-Q33 WeakPolarHBondContact OE2-CG 3.39Å; E30-Q33 PolarHBondContact OE2-NE2 3.23Å; E30-Q33 VanDerWaalsContact OE2-NE2 3.13Å; E30-S37 CarbonylContact O-C 3.53Å; E30-S37 WeakPolarHBondContact O-CA 3.26Å; E30-F38 HydrophobicContact CB-CB 3.79Å; E30-F38 HydrophobicContact CG-CB 3.83Å; E30-F38 VanDerWaalsContact OE2-CA 3.29Å; E30-F38 WeakPolarHBondContact OE2-CA 3.25Å; E30-F38 WeakPolarHBondContact OE2-CB 3.39Å; E30-R41 IonicContact OE1-CZ 3.53Å; E30-R41 IonicContact OE1-NE 3.9Å; E30-R41 PolarHBondContact OE1-NE 2.92Å; E30-R41 IonicContact OE1-NH2 2.91Å; E30-R41 PolarHBondContact OE1-NH2 3.27Å; E30-R41 WeakPolarHBondContact OE2-CD 3.3Å; E30-R41 IonicContact OE2-CZ 2.99Å; E30-R41 IonicContact OE2-NE 2.83Å; E30-R41 PolarHBondContact OE2-NE 3.28Å; E30-R41 IonicContact OE2-NH2 3.21Å; E30-V144 HydrophobicContact CG-CG2 4.09Å; E30-I301 HydrophobicContact CG-CG2 3.99Å; E30-V302 CarbonylContact C-O 3.48Å; E30-V302 WeakPolarHBondContact CA-O 3.25Å; E30-V302 VanDerWaalsContact CB-O 3.26Å; E30-V302 WeakPolarHBondContact CB-O 3.28Å; E30-V302 PolarHBondContact N-O 2.99Å; E30-V302 VanDerWaalsContact N-O 3.13Å
31N97.8Very high97.8Very high31 Ų3119.4 Ų19.417%0.16613%0.13CC..G310 helixtrans-62-23.2166.868.5-69.6000113M29 Q33 V264 V302M29-N31 WeakPolarHBondContact CA-OD1 3.49Å; M29-N31 VanDerWaalsContact CE-OD1 3.31Å; M29-N31 WeakPolarHBondContact CE-OD1 3.4Å; M29-N31 PolarHBondContact O-N 2.91Å; N31-Q33 VanDerWaalsContact C-N 3.27Å; N31-Q33 PolarHBondContact O-N 3.31Å; N31-V264 HydrophobicContact CB-CG1 4.37Å; N31-V264 WeakPolarHBondContact ND2-CG1 3.43Å; N31-V302 PolarHBondContact N-O 2.86Å; N31-V302 VanDerWaalsContact N-O 3.09Å
32C97.5Very high97.9Very high68 Ų6819.4 Ų19.446%0.45913%0.13SC..G310 helixtrans-82.90.7177.2-63.50000113.6T9 M29 E30T9-C32 HydrophobicContact CG2-CB 4.36Å; M29-C32 WeakPolarHBondContact O-CB 3.38Å; M29-C32 PolarHBondContact O-N 2.86Å; E30-C32 PolarHBondContact O-N 3.21Å
33Q98.3Very high97.9Very high6 Ų616.1 Ų16.13%0.02810%0.096CC..SBendtrans-62.9151.8175.9-75.3-65.2-1.400111.6V7 T9 E30 N31 S35 G36 S37 I40 R41V7-Q33 PolarHBondContact O-NE2 3.27Å; V7-Q33 VanDerWaalsContact O-NE2 3.11Å; T9-Q33 HydrophobicContact CG2-CG 3.94Å; E30-Q33 WeakPolarHBondContact O-CB 3.46Å; E30-Q33 VanDerWaalsContact O-CG 3.28Å; E30-Q33 WeakPolarHBondContact O-CG 3.47Å; E30-Q33 PolarHBondContact O-N 2.92Å; E30-Q33 PolarHBondContact OE1-NE2 3.44Å; E30-Q33 WeakPolarHBondContact OE2-CG 3.39Å; E30-Q33 PolarHBondContact OE2-NE2 3.23Å; E30-Q33 VanDerWaalsContact OE2-NE2 3.13Å; N31-Q33 VanDerWaalsContact C-N 3.27Å; N31-Q33 PolarHBondContact O-N 3.31Å; Q33-S35 PolarHBondContact O-N 3.35Å; Q33-S35 VanDerWaalsContact O-N 3.08Å; Q33-G36 WeakPolarHBondContact O-CA 3.5Å; Q33-G36 PolarHBondContact O-N 3.06Å; Q33-S37 WeakPolarHBondContact CB-O 3.26Å; Q33-S37 WeakPolarHBondContact CG-O 3.32Å; Q33-I40 HydrophobicContact CB-CG2 3.71Å; Q33-I40 HydrophobicContact CG-CG2 3.82Å; Q33-R41 VanDerWaalsContact NE2-CZ 3.3Å
34P96.3Very high97.9Very high43 Ų4315.2 Ų15.228%0.2799%0.09SC..THydrogen-bonded Turntrans-59.8-25.9-176.2-26.233.6000115.8V7 I40 Y71V7-P34 HydrophobicContact CG1-CG 3.98Å; P34-I40 HydrophobicContact CB-CD1 3.99Å; P34-I40 HydrophobicContact CG-CD1 4.19Å; P34-Y71 HydrophobicContact CB-CD1 4.44Å; P34-Y71 HydrophobicContact CB-CD2 4.22Å; P34-Y71 HydrophobicContact CB-CE1 3.76Å; P34-Y71 HydrophobicContact CB-CE2 3.49Å; P34-Y71 VanDerWaalsContact CB-CE2 3.49Å; P34-Y71 VanDerWaalsContact CB-OH 3.29Å; P34-Y71 WeakPolarHBondContact CB-OH 3.34Å
35S95.3Very high97.9Very high5 Ų515.7 Ų15.74%0.0359%0.088CC..THydrogen-bonded Turntrans-958.5173.874.90000113.6Q33 S37 I40Q33-S35 PolarHBondContact O-N 3.35Å; Q33-S35 VanDerWaalsContact O-N 3.08Å; S35-S37 PolarHBondContact O-N 3.29Å; S35-I40 WeakPolarHBondContact OG-CB 3.47Å
36G95.4Very high97.8Very high20 Ų2015.7 Ų15.721%0.2069%0.088CC..SBendtrans81.72.7179.600000116.1Q33 G305Q33-G36 WeakPolarHBondContact O-CA 3.5Å; Q33-G36 PolarHBondContact O-N 3.06Å; G36-G305 PolarHBondContact O-N 2.85Å
37S98.1Very high97.7Very high1 Ų113 Ų131%0.0078%0.078CC..BIsolated β-bridgetrans-159.1169.5176.7660000112.7E30 Q33 S35 K39 C303E30-S37 CarbonylContact O-C 3.53Å; E30-S37 WeakPolarHBondContact O-CA 3.26Å; Q33-S37 WeakPolarHBondContact CB-O 3.26Å; Q33-S37 WeakPolarHBondContact CG-O 3.32Å; S35-S37 PolarHBondContact O-N 3.29Å; S37-K39 PolarHBondContact O-N 2.8Å; S37-C303 VanDerWaalsContact CA-O 3.29Å; S37-C303 WeakPolarHBondContact CA-O 3.3Å; S37-C303 WeakPolarHBondContact CB-O 3.37Å
38F98.5Very high97.5Very high23 Ų2315 Ų1510%0.1019%0.087CC..THydrogen-bonded Turntrans-56.1-17.6175.980.2-82.8000114.8E30 I40 R41 H141 L170 C303E30-F38 HydrophobicContact CB-CB 3.79Å; E30-F38 HydrophobicContact CG-CB 3.83Å; E30-F38 VanDerWaalsContact OE2-CA 3.29Å; E30-F38 WeakPolarHBondContact OE2-CA 3.25Å; E30-F38 WeakPolarHBondContact OE2-CB 3.39Å; F38-I40 PolarHBondContact O-N 3.21Å; F38-I40 VanDerWaalsContact O-N 3.11Å; F38-R41 WeakPolarHBondContact O-CB 3.41Å; F38-R41 PolarHBondContact O-N 3.4Å; F38-H141 AromaticContact CD2-CE1 3.53Å; F38-H141 AromaticContact CD2-ND1 3.6Å; F38-H141 AromaticContact CE2-CE1 3.56Å; F38-H141 AromaticContact CE2-ND1 3.95Å; F38-H141 AromaticContact CE2-NE2 3.72Å; F38-L170 HydrophobicContact CD1-CD2 4.36Å; F38-L170 HydrophobicContact CD2-CB 4.28Å; F38-L170 HydrophobicContact CD2-CD1 3.67Å; F38-L170 HydrophobicContact CD2-CD2 4.37Å; F38-L170 HydrophobicContact CD2-CG 4.3Å; F38-L170 HydrophobicContact CE1-CD2 4.15Å; F38-L170 HydrophobicContact CE2-CB 3.55Å; F38-L170 HydrophobicContact CE2-CD1 3.86Å; F38-L170 HydrophobicContact CE2-CD2 4.2Å; F38-L170 HydrophobicContact CE2-CG 4.05Å; F38-L170 HydrophobicContact CG-CD1 4.23Å; F38-L170 HydrophobicContact CG-CD2 4.43Å; F38-L170 HydrophobicContact CZ-CB 3.73Å; F38-L170 HydrophobicContact CZ-CD2 4.06Å; F38-L170 HydrophobicContact CZ-CG 4.31Å; F38-C303 HydrophobicContact CD1-CB 3.65Å; F38-C303 HydrophobicContact CE1-CB 3.98Å; F38-C303 PolarHBondContact N-O 3.19Å
39K98.3Very high97.3Very high32 Ų3220.1 Ų20.114%0.13911%0.111CC..Hα-helixtrans-54.9-33.8-174.3-71-63.3-173.91080112.4S37 R41 G42 V43 N64 A68 P131S37-K39 PolarHBondContact O-N 2.8Å; K39-R41 PolarHBondContact O-N 3.3Å; K39-G42 PolarHBondContact O-N 2.87Å; K39-V43 WeakPolarHBondContact O-CB 3.43Å; K39-V43 WeakPolarHBondContact O-CG2 3.48Å; K39-V43 PolarHBondContact O-N 2.98Å; K39-N64 HydrophobicContact CG-CB 3.87Å; K39-A68 HydrophobicContact CB-CB 3.83Å; K39-P131 PolarHBondContact NZ-O 2.77Å
40I98.1Very high97Very high0 Ų023.5 Ų23.50%013%0.129CC..Hα-helixtrans-60.5-24.6178.7-166.2162.9000113.9F5 H6 Q33 P34 S35 F38 G44 A68 Y71 V72F5-I40 HydrophobicContact CB-CD1 4.23Å; F5-I40 HydrophobicContact CB-CG1 4.12Å; F5-I40 VanDerWaalsContact O-CD1 3.26Å; F5-I40 WeakPolarHBondContact O-CD1 3.36Å; H6-I40 HydrophobicContact CB-CG2 3.87Å; Q33-I40 HydrophobicContact CB-CG2 3.71Å; Q33-I40 HydrophobicContact CG-CG2 3.82Å; P34-I40 HydrophobicContact CB-CD1 3.99Å; P34-I40 HydrophobicContact CG-CD1 4.19Å; S35-I40 WeakPolarHBondContact OG-CB 3.47Å; F38-I40 PolarHBondContact O-N 3.21Å; F38-I40 VanDerWaalsContact O-N 3.11Å; I40-G44 VanDerWaalsContact O-CA 3.23Å; I40-G44 WeakPolarHBondContact O-CA 3.44Å; I40-G44 PolarHBondContact O-N 3.47Å; I40-A68 HydrophobicContact CB-CB 4.37Å; I40-Y71 HydrophobicContact CD1-CD1 3.38Å; I40-Y71 HydrophobicContact CD1-CE1 3.6Å; I40-Y71 HydrophobicContact CD1-CG 4.17Å; I40-V72 HydrophobicContact CD1-CG2 4.32Å; I40-V72 HydrophobicContact CG1-CG2 3.9Å
41R98.6Very high96.4Very high1 Ų123.5 Ų23.50%0.00413%0.129CC..Hα-helixtrans-62.3-58.5177.3-65.4-174.6177.5-81.9-6.7111.2H6 T9 E30 Q33 F38 K39 H45 G140 S143 E147H6-R41 HydrophobicContact CB-CB 4.48Å; H6-R41 HydrophobicContact CB-CG 3.79Å; H6-R41 PolarHBondContact CD2-NH1 3.38Å; H6-R41 PolarHBondContact NE2-NH1 3.13Å; T9-R41 PolarHBondContact OG1-NH2 3.4Å; E30-R41 IonicContact OE1-CZ 3.53Å; E30-R41 IonicContact OE1-NE 3.9Å; E30-R41 PolarHBondContact OE1-NE 2.92Å; E30-R41 IonicContact OE1-NH2 2.91Å; E30-R41 PolarHBondContact OE1-NH2 3.27Å; E30-R41 WeakPolarHBondContact OE2-CD 3.3Å; E30-R41 IonicContact OE2-CZ 2.99Å; E30-R41 IonicContact OE2-NE 2.83Å; E30-R41 PolarHBondContact OE2-NE 3.28Å; E30-R41 IonicContact OE2-NH2 3.21Å; Q33-R41 VanDerWaalsContact NE2-CZ 3.3Å; F38-R41 WeakPolarHBondContact O-CB 3.41Å; F38-R41 PolarHBondContact O-N 3.4Å; K39-R41 PolarHBondContact O-N 3.3Å; R41-H45 PolarHBondContact O-N 3.48Å; R41-G140 WeakPolarHBondContact CB-O 3.29Å; R41-S143 PolarHBondContact NH1-OG 3.48Å; R41-E147 IonicContact CZ-OE1 3.56Å; R41-E147 IonicContact CZ-OE2 3.52Å; R41-E147 IonicContact NH1-OE1 3.31Å; R41-E147 PolarHBondContact NH1-OE1 2.97Å; R41-E147 IonicContact NH1-OE2 3.41Å; R41-E147 PolarHBondContact NH1-OE2 2.96Å; R41-E147 IonicContact NH2-OE1 2.71Å; R41-E147 IonicContact NH2-OE2 3.63Å; R41-E147 PolarHBondContact NH2-OE2 2.88Å
42G98.3Very high95.6Very high0 Ų025.9 Ų25.90%015%0.148CC..Hα-helixtrans-68.8-50.3179.100000111.9K39 G44 H45 L46 L137 H141K39-G42 PolarHBondContact O-N 2.87Å; G42-G44 VanDerWaalsContact C-N 3.31Å; G42-G44 PolarHBondContact O-N 2.64Å; G42-H45 PolarHBondContact O-N 2.98Å; G42-L46 WeakPolarHBondContact O-CB 3.39Å; G42-L46 PolarHBondContact O-N 2.83Å; G42-L137 VanDerWaalsContact CA-O 3.23Å; G42-L137 WeakPolarHBondContact CA-O 3.43Å; G42-L137 WeakPolarHBondContact O-CD2 3.36Å; G42-H141 PolarHBondContact N-CE1 2.74Å; G42-H141 VanDerWaalsContact N-CE1 3.33Å; G42-H141 PolarHBondContact N-ND1 3.28Å
43V97.9Very high94.8Very high1 Ų134.1 Ų34.11%0.00617%0.17CC..Hα-helixtrans-61.8-41.8-178.6171.40000111K39 L46 C47 A68 A69 V72 V129 L137K39-V43 WeakPolarHBondContact O-CB 3.43Å; K39-V43 WeakPolarHBondContact O-CG2 3.48Å; K39-V43 PolarHBondContact O-N 2.98Å; V43-L46 PolarHBondContact O-N 3.11Å; V43-C47 WeakPolarHBondContact O-CB 3.5Å; V43-C47 PolarHBondContact O-N 3.16Å; V43-C47 PolarHBondContact O-SG 3.04Å; V43-A68 HydrophobicContact CB-CB 3.96Å; V43-A68 HydrophobicContact CG1-CB 4.06Å; V43-A68 HydrophobicContact CG2-CB 4.05Å; V43-A69 HydrophobicContact CG1-CB 4.18Å; V43-V72 HydrophobicContact CG1-CG2 4.43Å; V43-V129 HydrophobicContact CB-CG1 4.41Å; V43-V129 HydrophobicContact CG1-CG1 3.78Å; V43-V129 HydrophobicContact CG2-CG1 3.99Å; V43-L137 HydrophobicContact CB-CD2 4.47Å; V43-L137 HydrophobicContact CG2-CD2 3.96Å
44G97.4Very high94.3Very high2 Ų234.8 Ų34.82%0.02118%0.175CC..Hα-helixtrans-57.4-50.9174.500000111.8I40 G42 C47 Q48I40-G44 VanDerWaalsContact O-CA 3.23Å; I40-G44 WeakPolarHBondContact O-CA 3.44Å; I40-G44 PolarHBondContact O-N 3.47Å; G42-G44 VanDerWaalsContact C-N 3.31Å; G42-G44 PolarHBondContact O-N 2.64Å; G44-C47 PolarHBondContact O-N 3.36Å; G44-Q48 VanDerWaalsContact O-CG 3.27Å; G44-Q48 WeakPolarHBondContact O-CG 3.3Å; G44-Q48 PolarHBondContact O-N 3.44Å
45H97.5Very high94.1Very high34 Ų3439 Ų3916%0.15719%0.189CC..Hα-helixtrans-60.7-47.5178.1-17471.7000112.2R41 G42 C47 Q48 Q49 L136 E139R41-H45 PolarHBondContact O-N 3.48Å; G42-H45 PolarHBondContact O-N 2.98Å; H45-C47 PolarHBondContact O-N 3.4Å; H45-Q48 PolarHBondContact O-N 2.9Å; H45-Q49 WeakPolarHBondContact O-CG 3.41Å; H45-Q49 PolarHBondContact O-N 3.31Å; H45-Q49 VanDerWaalsContact O-N 3.07Å; H45-L136 PolarHBondContact CD2-O 3.46Å; H45-E139 IonicContact CD2-OE2 3.67Å; H45-E139 IonicContact CE1-OE2 2.77Å; H45-E139 VanDerWaalsContact NE2-CD 3.32Å; H45-E139 IonicContact NE2-OE2 2.76Å; H45-E139 PolarHBondContact NE2-OE2 2.91Å
46L97.3Very high94.1Very high0 Ų038.8 Ų38.80%019%0.187CC..Hα-helixtrans-57.1-48.5178-177.1152.2000111.7G42 V43 Q48 Q49 L50 T127 V129 P130 H134 L136 L137G42-L46 WeakPolarHBondContact O-CB 3.39Å; G42-L46 PolarHBondContact O-N 2.83Å; V43-L46 PolarHBondContact O-N 3.11Å; L46-Q48 PolarHBondContact O-N 3.43Å; L46-Q49 PolarHBondContact O-N 2.96Å; L46-L50 HydrophobicContact CD2-CD1 4.15Å; L46-L50 HydrophobicContact CG-CD1 4.04Å; L46-L50 WeakPolarHBondContact O-CB 3.16Å; L46-L50 PolarHBondContact O-N 3.13Å; L46-T127 HydrophobicContact CD2-CG2 4.11Å; L46-V129 HydrophobicContact CD2-CG2 4.21Å; L46-P130 HydrophobicContact CD1-CG 4.08Å; L46-H134 HydrophobicContact CD1-CB 4.07Å; L46-L136 HydrophobicContact CB-CB 4.14Å; L46-L136 HydrophobicContact CG-CB 4.39Å; L46-L136 HydrophobicContact CG-CD1 4.49Å; L46-L137 HydrophobicContact CB-CD2 4Å; L46-L137 HydrophobicContact CD1-CD2 3.88Å; L46-L137 HydrophobicContact CD1-CG 3.84Å
47C95.9Very high94.2Very high0 Ų037.9 Ų37.90%018%0.178CC..Hα-helixtrans-64.6-38.3178.8-69.30000112.2V43 G44 H45 Q49 A51 V72 M76V43-C47 WeakPolarHBondContact O-CB 3.5Å; V43-C47 PolarHBondContact O-N 3.16Å; V43-C47 PolarHBondContact O-SG 3.04Å; G44-C47 PolarHBondContact O-N 3.36Å; H45-C47 PolarHBondContact O-N 3.4Å; C47-Q49 VanDerWaalsContact C-N 3.29Å; C47-Q49 PolarHBondContact O-N 2.83Å; C47-A51 HydrophobicContact CB-CB 4.16Å; C47-A51 WeakPolarHBondContact O-CA 3.35Å; C47-A51 WeakPolarHBondContact O-CB 3.5Å; C47-A51 PolarHBondContact O-N 3.1Å; C47-V72 HydrophobicContact CB-CG1 3.48Å; C47-V72 VanDerWaalsContact CB-CG1 3.48Å; C47-M76 HydrophobicContact CB-SD 3.82Å
48Q94.3Very high94.2Very high42 Ų4237.9 Ų37.920%0.19618%0.177CC..Hα-helixtrans-59.9-41175.7-73.7179-26.700112.1Q3 F5 G44 H45 L46Q3-Q48 PolarHBondContact O-NE2 3.32Å; F5-Q48 HydrophobicContact CD2-CG 3.87Å; F5-Q48 HydrophobicContact CE2-CG 3.35Å; F5-Q48 VanDerWaalsContact CE2-NE2 3.35Å; F5-Q48 HydrophobicContact CZ-CG 4.26Å; G44-Q48 VanDerWaalsContact O-CG 3.27Å; G44-Q48 WeakPolarHBondContact O-CG 3.3Å; G44-Q48 PolarHBondContact O-N 3.44Å; H45-Q48 PolarHBondContact O-N 2.9Å; L46-Q48 PolarHBondContact O-N 3.43Å
49Q94.3Very high94.1Very high107 Ų10736.8 Ų36.850%0.517%0.173SC..Hα-helixtrans-75.7-42.4-179-64.1-57-41.400112.6H45 L46 C47 L136H45-Q49 WeakPolarHBondContact O-CG 3.41Å; H45-Q49 PolarHBondContact O-N 3.31Å; H45-Q49 VanDerWaalsContact O-N 3.07Å; L46-Q49 PolarHBondContact O-N 2.96Å; C47-Q49 VanDerWaalsContact C-N 3.29Å; C47-Q49 PolarHBondContact O-N 2.83Å; Q49-L136 HydrophobicContact CB-CD1 3.78Å; Q49-L136 HydrophobicContact CG-CD1 4.21Å; Q49-L136 HydrophobicContact CG-CD2 4.16Å
50L93.2Very high93.8Very high77 Ų7735.3 Ų35.340%0.40317%0.166SC..Hα-helixtrans-106-35.8-167.1-57.7-174.7000113.9L46 S52 T127 L136L46-L50 HydrophobicContact CD2-CD1 4.15Å; L46-L50 HydrophobicContact CG-CD1 4.04Å; L46-L50 WeakPolarHBondContact O-CB 3.16Å; L46-L50 PolarHBondContact O-N 3.13Å; L50-S52 PolarHBondContact O-N 2.85Å; L50-T127 HydrophobicContact CB-CG2 3.78Å; L50-L136 HydrophobicContact CD1-CD1 3.85Å; L50-L136 HydrophobicContact CD2-CD1 3.98Å; L50-L136 HydrophobicContact CG-CD1 3.72Å
51A86.9Confident93.4Very high0 Ų036.3 Ų36.30%017%0.174CC..G310 helixtrans-84.6-11.9-169.200000114.1C47 R53 S54 V57 M76 L78 T127C47-A51 HydrophobicContact CB-CB 4.16Å; C47-A51 WeakPolarHBondContact O-CA 3.35Å; C47-A51 WeakPolarHBondContact O-CB 3.5Å; C47-A51 PolarHBondContact O-N 3.1Å; A51-R53 PolarHBondContact O-N 3.38Å; A51-R53 VanDerWaalsContact O-N 3.09Å; A51-S54 WeakPolarHBondContact O-CB 3.3Å; A51-S54 PolarHBondContact O-N 3.16Å; A51-V57 HydrophobicContact CB-CG1 3.79Å; A51-M76 HydrophobicContact CB-CE 4.28Å; A51-L78 HydrophobicContact CB-CD1 3.88Å; A51-L78 WeakPolarHBondContact O-CD1 3.37Å; A51-T127 WeakPolarHBondContact CA-OG1 3.45Å; A51-T127 HydrophobicContact CB-CG2 4.31Å
52S79.7Confident92.6Very high81 Ų8137.1 Ų37.157%0.56618%0.182SC*.G310 helixtrans-59.6-21.8178.860.20000114L50L50-S52 PolarHBondContact O-N 2.85Å
53R80.5Confident92.2Very high242 Ų24237.9 Ų37.991%0.91319%0.19SC*.G310 helixtrans-109.18.4177.7-59.8-177.9-179.2-179.80.2113.4A51A51-R53 PolarHBondContact O-N 3.38Å; A51-R53 VanDerWaalsContact O-N 3.09Å
54S88.2Confident92Very high19 Ų1938.4 Ų38.413%0.13319%0.193CC..SBendtrans-100.6156.6-172.6-173.30000111.7A51 G56 Q125 L126 T127A51-S54 WeakPolarHBondContact O-CB 3.3Å; A51-S54 PolarHBondContact O-N 3.16Å; S54-G56 WeakPolarHBondContact CB-O 3.24Å; S54-G56 PolarHBondContact O-N 3.31Å; S54-G56 PolarHBondContact OG-N 2.78Å; S54-G56 PolarHBondContact OG-O 3.38Å; S54-Q125 PolarHBondContact OG-O 3.06Å; S54-Q125 VanDerWaalsContact OG-O 3.04Å; S54-L126 WeakPolarHBondContact OG-CA 3.37Å; S54-T127 WeakPolarHBondContact CB-OG1 3.39Å; S54-T127 PolarHBondContact OG-N 2.9Å; S54-T127 PolarHBondContact OG-OG1 3.17Å
55K92.1Very high91.9Very high133 Ų13338.3 Ų38.358%0.57819%0.192SC*.SBendtrans-76.5-9.8173.5-67.5-175.5-177.9168.20113.4P79 Q125 L126K55-P79 WeakPolarHBondContact O-CD 3.44Å; K55-Q125 HydrophobicContact CD-CB 4.32Å; K55-Q125 HydrophobicContact CG-CB 4.45Å; K55-Q125 PolarHBondContact N-O 2.83Å; K55-Q125 VanDerWaalsContact N-O 3.09Å; K55-L126 HydrophobicContact CB-CD2 4.15Å
56G95.3Very high91.8Very high0 Ų036.7 Ų36.70%018%0.184CC..  trans167.4-170.6179.300000111.2S54 P79 T127S54-G56 WeakPolarHBondContact CB-O 3.24Å; S54-G56 PolarHBondContact O-N 3.31Å; S54-G56 PolarHBondContact OG-N 2.78Å; S54-G56 PolarHBondContact OG-O 3.38Å; G56-P79 CarbonylContact C-O 3.54Å; G56-P79 WeakPolarHBondContact CA-O 3.4Å; G56-T127 PolarHBondContact O-N 2.89Å
57V97.4Very high91.8Very high1 Ų137.4 Ų37.41%0.00619%0.188CC..EExtended strand (participates in β ladder)trans-118.8149.4173.4-54.90000110.6A51 A73 P79 A80 T81 T127 V129A51-V57 HydrophobicContact CB-CG1 3.79Å; V57-A73 HydrophobicContact CG2-CB 3.54Å; V57-P79 PolarHBondContact N-O 3Å; V57-A80 HydrophobicContact CG2-CB 3.73Å; V57-A80 WeakPolarHBondContact O-CA 3.25Å; V57-T81 PolarHBondContact O-N 2.78Å; V57-T127 WeakPolarHBondContact CA-O 3.23Å; V57-V129 HydrophobicContact CB-CG2 4.03Å; V57-V129 HydrophobicContact CG1-CG2 4.41Å
58V97.9Very high91.9Very high0 Ų037.4 Ų37.40%019%0.188CC..EExtended strand (participates in β ladder)trans-130.3135.7172.962.70000110.4T81 V83 A117 L120 A121 L126 T127 F128 V129V58-T81 CarbonylContact C-O 3.36Å; V58-T81 VanDerWaalsContact CA-O 3.24Å; V58-T81 WeakPolarHBondContact CA-O 3.37Å; V58-T81 HydrophobicContact CG2-CG2 4.39Å; V58-V83 HydrophobicContact CG2-CG2 3.95Å; V58-A117 WeakPolarHBondContact CG1-O 3.43Å; V58-A117 HydrophobicContact CG2-CB 3.94Å; V58-L120 HydrophobicContact CG2-CB 4.33Å; V58-L120 HydrophobicContact CG2-CD1 4.36Å; V58-A121 HydrophobicContact CG1-CB 3.7Å; V58-L126 HydrophobicContact CB-CB 4.24Å; V58-L126 HydrophobicContact CB-CD1 3.98Å; V58-L126 HydrophobicContact CG1-CB 3.86Å; V58-L126 HydrophobicContact CG1-CD1 4.3Å; V58-T127 PolarHBondContact N-O 3.15Å; V58-F128 HydrophobicContact CG1-CB 4.41Å; V58-F128 HydrophobicContact CG1-CD2 4.29Å; V58-F128 CarbonylContact O-C 3.34Å; V58-F128 WeakPolarHBondContact O-CA 3.5Å; V58-V129 PolarHBondContact O-N 2.73Å
59C96.8Very high92Very high1 Ų135.5 Ų35.51%0.00718%0.179CC..EExtended strand (participates in β ladder)trans-134.4141.5178.6-172.10000109.9S61 A69 T81 V82 V83 V129C59-S61 PolarHBondContact SG-N 2.85Å; C59-A69 HydrophobicContact CB-CB 4.08Å; C59-T81 PolarHBondContact N-O 2.73Å; C59-V82 CarbonylContact O-C 3.5Å; C59-V82 VanDerWaalsContact O-CA 3.32Å; C59-V82 WeakPolarHBondContact O-CA 3.47Å; C59-V83 PolarHBondContact O-N 3.44Å; C59-V129 HydrophobicContact CB-CB 4.29Å; C59-V129 PolarHBondContact SG-O 3.22Å
60S92.9Very high92.1Very high0 Ų030.4 Ų30.40%016%0.155CC..  trans-95.58.4176.454.40000113.6V83 W110 N114S60-V83 CarbonylContact C-O 3.52Å; S60-V83 WeakPolarHBondContact CA-O 3.47Å; S60-W110 PolarHBondContact O-NE1 3.43Å; S60-N114 WeakPolarHBondContact CB-OD1 3.29Å; S60-N114 PolarHBondContact OG-OD1 3.26Å
61S88.7Confident92.3Very high22 Ų2228.4 Ų28.415%0.15414%0.143CC..  trans-103.5115.7-178.6-174.30000110.8C59 G63 G66 V82C59-S61 PolarHBondContact SG-N 2.85Å; S61-G63 PolarHBondContact O-N 3.37Å; S61-G63 PolarHBondContact OG-N 3.48Å; S61-G66 WeakPolarHBondContact O-CA 3.44Å; S61-G66 PolarHBondContact O-N 3.48Å; S61-V82 VanDerWaalsContact O-CG1 3.31Å; S61-V82 WeakPolarHBondContact O-CG1 3.4Å
62G81.9Confident92.7Very high17 Ų1728.4 Ų28.418%0.17514%0.143CC..SBendtrans-70.6-10.6170.100000114.1V92G62-V92 WeakPolarHBondContact O-CG1 3.42Å
63G89.5Confident93.5Very high16 Ų1624.6 Ų24.617%0.16512%0.116CC..SBendtrans-94-147.1-174.800000114.2S61 A65 G66 M67S61-G63 PolarHBondContact O-N 3.37Å; S61-G63 PolarHBondContact OG-N 3.48Å; G63-A65 PolarHBondContact O-N 3.01Å; G63-A65 VanDerWaalsContact O-N 3.13Å; G63-G66 PolarHBondContact O-N 3.23Å; G63-M67 PolarHBondContact O-N 2.77Å
64N94.8Very high94.2Very high13 Ų1318 Ų187%0.079%0.091CC..Hα-helixtrans-57.5-29.8-175.8-72.5-50000114.7K39 A68 C220 E267 S306K39-N64 HydrophobicContact CG-CB 3.87Å; N64-A68 WeakPolarHBondContact O-CB 3.44Å; N64-A68 PolarHBondContact O-N 3.37Å; N64-A68 VanDerWaalsContact O-N 3.09Å; N64-C220 PolarHBondContact ND2-SG 3.42Å; N64-E267 PolarHBondContact ND2-OE1 2.86Å; N64-E267 PolarHBondContact OD1-OE1 3.49Å; N64-S306 PolarHBondContact OD1-N 3.03Å; N64-S306 PolarHBondContact OD1-OG 3.47Å
65A95.4Very high94.5Very high0 Ų022.9 Ų22.90%011%0.11CC..Hα-helixtrans-72.1-41.2175.300000112.2G63 A68 A69 P131G63-A65 PolarHBondContact O-N 3.01Å; G63-A65 VanDerWaalsContact O-N 3.13Å; A65-A68 PolarHBondContact O-N 2.9Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 3.35Å; A65-P131 HydrophobicContact CB-CB 3.98Å
66G95.7Very high94.6Very high0 Ų019.1 Ų19.10%010%0.095CC..Hα-helixtrans-63.2-41.7173.700000112.3S61 G63 A68 A69 A70S61-G66 WeakPolarHBondContact O-CA 3.44Å; S61-G66 PolarHBondContact O-N 3.48Å; G63-G66 PolarHBondContact O-N 3.23Å; G66-A68 VanDerWaalsContact C-N 3.35Å; G66-A68 PolarHBondContact O-N 3.24Å; G66-A69 PolarHBondContact O-N 3.41Å; G66-A70 VanDerWaalsContact O-CB 3.32Å; G66-A70 WeakPolarHBondContact O-CB 3.15Å; G66-A70 PolarHBondContact O-N 3.14Å
67M96.4Very high94.6Very high15 Ų1522.3 Ų22.37%0.07413%0.128CC..Hα-helixtrans-60.9-42.7174.8-69.3-62.8-69.500112.1G63 Y71 R95 L96 Q99G63-M67 PolarHBondContact O-N 2.77Å; M67-Y71 VanDerWaalsContact O-CB 3.31Å; M67-Y71 WeakPolarHBondContact O-CB 3.01Å; M67-Y71 PolarHBondContact O-N 3.23Å; M67-R95 HydrophobicContact CE-CB 4.17Å; M67-R95 HydrophobicContact SD-CB 4.07Å; M67-L96 HydrophobicContact CG-CD2 4.15Å; M67-L96 HydrophobicContact SD-CD2 3.64Å; M67-L96 HydrophobicContact SD-CG 4.09Å; M67-Q99 HydrophobicContact CE-CG 3.43Å; M67-Q99 VanDerWaalsContact CE-CG 3.43Å; M67-Q99 HydrophobicContact SD-CG 4.03Å
68A97.3Very high94.5Very high0 Ų024 Ų240%014%0.137CC..Hα-helixtrans-64.5-43.5174.100000112.1K39 I40 V43 N64 A65 G66 Y71 V72K39-A68 HydrophobicContact CB-CB 3.83Å; I40-A68 HydrophobicContact CB-CB 4.37Å; V43-A68 HydrophobicContact CB-CB 3.96Å; V43-A68 HydrophobicContact CG1-CB 4.06Å; V43-A68 HydrophobicContact CG2-CB 4.05Å; N64-A68 WeakPolarHBondContact O-CB 3.44Å; N64-A68 PolarHBondContact O-N 3.37Å; N64-A68 VanDerWaalsContact O-N 3.09Å; A65-A68 PolarHBondContact O-N 2.9Å; G66-A68 VanDerWaalsContact C-N 3.35Å; G66-A68 PolarHBondContact O-N 3.24Å; A68-Y71 PolarHBondContact O-N 2.85Å; A68-V72 WeakPolarHBondContact O-CB 3.45Å; A68-V72 WeakPolarHBondContact O-CG2 3.5Å; A68-V72 PolarHBondContact O-N 3.14Å
69A97.4Very high94.5Very high1 Ų128 Ų281%0.00816%0.162CC..Hα-helixtrans-62.7-46.4178.600000111.5V43 C59 A65 G66 V72 A73 V129V43-A69 HydrophobicContact CG1-CB 4.18Å; C59-A69 HydrophobicContact CB-CB 4.08Å; A65-A69 WeakPolarHBondContact O-CB 3.35Å; A65-A69 PolarHBondContact O-N 3.35Å; G66-A69 PolarHBondContact O-N 3.41Å; A69-V72 PolarHBondContact O-N 3.47Å; A69-A73 VanDerWaalsContact O-CB 3.26Å; A69-A73 WeakPolarHBondContact O-CB 3.41Å; A69-A73 PolarHBondContact O-N 2.85Å; A69-V129 HydrophobicContact CB-CB 4.35Å; A69-V129 HydrophobicContact CB-CG1 4.17Å; A69-V129 HydrophobicContact CB-CG2 4.4Å
70A96.9Very high94.5Very high1 Ų128.3 Ų28.31%0.00817%0.165CC..Hα-helixtrans-60.2-47.8176.200000111.8G66 V72 R74 Q99 A101G66-A70 VanDerWaalsContact O-CB 3.32Å; G66-A70 WeakPolarHBondContact O-CB 3.15Å; G66-A70 PolarHBondContact O-N 3.14Å; A70-V72 PolarHBondContact O-N 3.38Å; A70-R74 WeakPolarHBondContact O-CB 3.35Å; A70-R74 PolarHBondContact O-N 3.32Å; A70-R74 VanDerWaalsContact O-N 3.08Å; A70-Q99 HydrophobicContact CB-CB 3.68Å; A70-A101 HydrophobicContact CB-CB 3.72Å
71Y96.5Very high94.8Very high35 Ų3529.6 Ų29.614%0.13717%0.173CC..Hα-helixtrans-58.7-49.6177.7-179.1-80.2000111.7P34 I40 M67 A68 R74 K75P34-Y71 HydrophobicContact CB-CD1 4.44Å; P34-Y71 HydrophobicContact CB-CD2 4.22Å; P34-Y71 HydrophobicContact CB-CE1 3.76Å; P34-Y71 HydrophobicContact CB-CE2 3.49Å; P34-Y71 VanDerWaalsContact CB-CE2 3.49Å; P34-Y71 VanDerWaalsContact CB-OH 3.29Å; P34-Y71 WeakPolarHBondContact CB-OH 3.34Å; I40-Y71 HydrophobicContact CD1-CD1 3.38Å; I40-Y71 HydrophobicContact CD1-CE1 3.6Å; I40-Y71 HydrophobicContact CD1-CG 4.17Å; M67-Y71 VanDerWaalsContact O-CB 3.31Å; M67-Y71 WeakPolarHBondContact O-CB 3.01Å; M67-Y71 PolarHBondContact O-N 3.23Å; A68-Y71 PolarHBondContact O-N 2.85Å; Y71-R74 PolarHBondContact O-N 3.29Å; Y71-K75 HydrophobicContact CD1-CG 4.07Å; Y71-K75 HydrophobicContact CE1-CD 4.44Å; Y71-K75 HydrophobicContact CE1-CG 3.58Å; Y71-K75 WeakPolarHBondContact O-CG 3.38Å; Y71-K75 PolarHBondContact O-N 3.35Å; Y71-K75 VanDerWaalsContact O-N 3.08Å; Y71-K75 WeakPolarHBondContact OH-CE 3.38Å
72V96.3Very high95.2Very high0 Ų028.6 Ų28.60%017%0.166CC..Hα-helixtrans-65.5-46.3-176.5168.20000111F5 I40 V43 C47 A68 A69 A70 R74 K75 M76F5-V72 HydrophobicContact CB-CG2 4Å; F5-V72 HydrophobicContact CD2-CB 4.43Å; F5-V72 HydrophobicContact CD2-CG1 3.63Å; F5-V72 HydrophobicContact CD2-CG2 4.11Å; F5-V72 HydrophobicContact CE2-CG1 3.68Å; F5-V72 HydrophobicContact CG-CG1 4.26Å; F5-V72 HydrophobicContact CG-CG2 4.12Å; F5-V72 HydrophobicContact CZ-CG1 4.4Å; I40-V72 HydrophobicContact CD1-CG2 4.32Å; I40-V72 HydrophobicContact CG1-CG2 3.9Å; V43-V72 HydrophobicContact CG1-CG2 4.43Å; C47-V72 HydrophobicContact CB-CG1 3.48Å; C47-V72 VanDerWaalsContact CB-CG1 3.48Å; A68-V72 WeakPolarHBondContact O-CB 3.45Å; A68-V72 WeakPolarHBondContact O-CG2 3.5Å; A68-V72 PolarHBondContact O-N 3.14Å; A69-V72 PolarHBondContact O-N 3.47Å; A70-V72 PolarHBondContact O-N 3.38Å; V72-R74 VanDerWaalsContact C-N 3.34Å; V72-R74 PolarHBondContact O-N 3.26Å; V72-K75 PolarHBondContact O-N 3.3Å; V72-K75 VanDerWaalsContact O-N 3.11Å; V72-M76 HydrophobicContact CG1-CG 4.44Å; V72-M76 HydrophobicContact CG1-SD 3.88Å; V72-M76 WeakPolarHBondContact O-CG 3.46Å; V72-M76 PolarHBondContact O-N 3.47Å
73A95.9Very high95.9Very high0 Ų027.8 Ų27.80%016%0.158CC..Hα-helixtrans-58.5-46.1177.900000111.9V57 A69 K75 M76 G77 L78 A80V57-A73 HydrophobicContact CG2-CB 3.54Å; A69-A73 VanDerWaalsContact O-CB 3.26Å; A69-A73 WeakPolarHBondContact O-CB 3.41Å; A69-A73 PolarHBondContact O-N 2.85Å; A73-K75 VanDerWaalsContact C-N 3.3Å; A73-K75 PolarHBondContact O-N 2.95Å; A73-M76 CarbonylContact O-C 3.53Å; A73-M76 WeakPolarHBondContact O-CA 3.38Å; A73-M76 PolarHBondContact O-N 3.4Å; A73-G77 PolarHBondContact O-N 2.95Å; A73-L78 CarbonylContact C-O 3.58Å; A73-L78 HydrophobicContact CB-CB 4.36Å; A73-L78 WeakPolarHBondContact CB-O 3.49Å; A73-L78 PolarHBondContact O-N 2.86Å; A73-A80 HydrophobicContact CB-CB 3.66Å
74R95.3Very high96.1Very high103 Ų10327 Ų2739%0.38915%0.15SC..Hα-helixtrans-57.8-43174.9-177-174.662-137.9-3.9111.8A70 Y71 V72 M76 G77 Q99A70-R74 WeakPolarHBondContact O-CB 3.35Å; A70-R74 PolarHBondContact O-N 3.32Å; A70-R74 VanDerWaalsContact O-N 3.08Å; Y71-R74 PolarHBondContact O-N 3.29Å; V72-R74 VanDerWaalsContact C-N 3.34Å; V72-R74 PolarHBondContact O-N 3.26Å; R74-M76 VanDerWaalsContact C-N 3.26Å; R74-M76 PolarHBondContact O-N 2.99Å; R74-G77 PolarHBondContact O-N 3.31Å; R74-G77 VanDerWaalsContact O-N 3.16Å; R74-Q99 VanDerWaalsContact CZ-OE1 3.25Å; R74-Q99 VanDerWaalsContact NH1-C 3.31Å; R74-Q99 PolarHBondContact NH1-O 3.47Å
75K95.1Very high95.8Very high122 Ų12227 Ų2753%0.5315%0.151SC..Hα-helixtrans-66.7-27.4176.8-72.4-63.8-171.2179.70113.3F5 Y71 V72 A73 G77F5-K75 HydrophobicContact CD1-CB 3.85Å; F5-K75 HydrophobicContact CD1-CG 4.43Å; F5-K75 HydrophobicContact CE1-CB 3.63Å; Y71-K75 HydrophobicContact CD1-CG 4.07Å; Y71-K75 HydrophobicContact CE1-CD 4.44Å; Y71-K75 HydrophobicContact CE1-CG 3.58Å; Y71-K75 WeakPolarHBondContact O-CG 3.38Å; Y71-K75 PolarHBondContact O-N 3.35Å; Y71-K75 VanDerWaalsContact O-N 3.08Å; Y71-K75 WeakPolarHBondContact OH-CE 3.38Å; V72-K75 PolarHBondContact O-N 3.3Å; V72-K75 VanDerWaalsContact O-N 3.11Å; A73-K75 VanDerWaalsContact C-N 3.3Å; A73-K75 PolarHBondContact O-N 2.95Å; K75-G77 VanDerWaalsContact C-N 3.34Å
76M94.1Very high95.4Very high54 Ų5430.9 Ų30.927%0.26618%0.178SC..Hα-helixtrans-83.6-6.5173.9-68.7179.872.700113.6F5 C47 A51 V72 A73 R74 L78F5-M76 HydrophobicContact CE1-CG 4.15Å; F5-M76 HydrophobicContact CE2-CG 3.8Å; F5-M76 HydrophobicContact CE2-SD 3.82Å; F5-M76 HydrophobicContact CZ-CG 3.28Å; F5-M76 HydrophobicContact CZ-SD 3.95Å; C47-M76 HydrophobicContact CB-SD 3.82Å; A51-M76 HydrophobicContact CB-CE 4.28Å; V72-M76 HydrophobicContact CG1-CG 4.44Å; V72-M76 HydrophobicContact CG1-SD 3.88Å; V72-M76 WeakPolarHBondContact O-CG 3.46Å; V72-M76 PolarHBondContact O-N 3.47Å; A73-M76 CarbonylContact O-C 3.53Å; A73-M76 WeakPolarHBondContact O-CA 3.38Å; A73-M76 PolarHBondContact O-N 3.4Å; R74-M76 VanDerWaalsContact C-N 3.26Å; R74-M76 PolarHBondContact O-N 2.99Å; M76-L78 VanDerWaalsContact C-N 3.25Å; M76-L78 HydrophobicContact CB-CB 4.4Å; M76-L78 HydrophobicContact CB-CD1 3.95Å; M76-L78 HydrophobicContact CB-CG 3.95Å; M76-L78 HydrophobicContact CE-CD1 3.86Å; M76-L78 PolarHBondContact O-N 3.38Å; M76-L78 HydrophobicContact SD-CD1 4.25Å
77G94.4Very high94.7Very high68 Ų6834.9 Ų34.970%0.70121%0.206SC*.THydrogen-bonded Turntrans69.623.4-171.400000113.4A73 R74 K75A73-G77 PolarHBondContact O-N 2.95Å; R74-G77 PolarHBondContact O-N 3.31Å; R74-G77 VanDerWaalsContact O-N 3.16Å; K75-G77 VanDerWaalsContact C-N 3.34Å
78L95.5Very high94.1Very high36 Ų3635.4 Ų35.419%0.18821%0.21CC..  trans-103.1145.1179.8-67175.8000111.2A51 A73 M76A51-L78 HydrophobicContact CB-CD1 3.88Å; A51-L78 WeakPolarHBondContact O-CD1 3.37Å; A73-L78 CarbonylContact C-O 3.58Å; A73-L78 HydrophobicContact CB-CB 4.36Å; A73-L78 WeakPolarHBondContact CB-O 3.49Å; A73-L78 PolarHBondContact O-N 2.86Å; M76-L78 VanDerWaalsContact C-N 3.25Å; M76-L78 HydrophobicContact CB-CB 4.4Å; M76-L78 HydrophobicContact CB-CD1 3.95Å; M76-L78 HydrophobicContact CB-CG 3.95Å; M76-L78 HydrophobicContact CE-CD1 3.86Å; M76-L78 PolarHBondContact O-N 3.38Å; M76-L78 HydrophobicContact SD-CD1 4.25Å
79P96.9Very high93.5Very high83 Ų8339 Ų3954%0.53923%0.233SC..  trans-60.6143.1166.4-20.732.2000111.6K55 G56 V57K55-P79 WeakPolarHBondContact O-CD 3.44Å; G56-P79 CarbonylContact C-O 3.54Å; G56-P79 WeakPolarHBondContact CA-O 3.4Å; V57-P79 PolarHBondContact N-O 3Å
80A97.8Very high93Very high8 Ų844.2 Ų44.27%0.06627%0.267CS..EExtended strand (participates in β ladder)trans-121.8131.7169.600000110.6V57 A73 A101 A102V57-A80 HydrophobicContact CG2-CB 3.73Å; V57-A80 WeakPolarHBondContact O-CA 3.25Å; A73-A80 HydrophobicContact CB-CB 3.66Å; A80-A101 HydrophobicContact CB-CB 4.04Å; A80-A101 CarbonylContact O-C 3.44Å; A80-A101 WeakPolarHBondContact O-CA 3.19Å; A80-A102 PolarHBondContact O-N 3.49Å
81T98.1Very high92.4Very high27 Ų2746.9 Ų46.917%0.16628%0.281CS..EExtended strand (participates in β ladder)trans-113.5125.5169.3-60.20000109.3V57 V58 C59 V83 A102 K104 L120V57-T81 PolarHBondContact O-N 2.78Å; V58-T81 CarbonylContact C-O 3.36Å; V58-T81 VanDerWaalsContact CA-O 3.24Å; V58-T81 WeakPolarHBondContact CA-O 3.37Å; V58-T81 HydrophobicContact CG2-CG2 4.39Å; C59-T81 PolarHBondContact N-O 2.73Å; T81-V83 HydrophobicContact CG2-CG2 4.28Å; T81-A102 CarbonylContact C-O 3.57Å; T81-A102 VanDerWaalsContact CA-O 3.31Å; T81-A102 WeakPolarHBondContact CA-O 3.31Å; T81-K104 HydrophobicContact CG2-CB 4.25Å; T81-L120 HydrophobicContact CG2-CD1 4.36Å
82V97.4Very high91.9Very high1 Ų146 Ų461%0.00628%0.279CS..EExtended strand (participates in β ladder)trans-111.6115.3172.3-175.60000108.7C59 S61 V84 L96 A101 A102 V103 K104C59-V82 CarbonylContact O-C 3.5Å; C59-V82 VanDerWaalsContact O-CA 3.32Å; C59-V82 WeakPolarHBondContact O-CA 3.47Å; S61-V82 VanDerWaalsContact O-CG1 3.31Å; S61-V82 WeakPolarHBondContact O-CG1 3.4Å; V82-V84 HydrophobicContact CG1-CG1 3.85Å; V82-L96 HydrophobicContact CB-CD1 4.2Å; V82-L96 HydrophobicContact CB-CD2 4.42Å; V82-L96 HydrophobicContact CG1-CD1 3.8Å; V82-L96 HydrophobicContact CG1-CD2 4.24Å; V82-L96 HydrophobicContact CG2-CD2 4.12Å; V82-A101 HydrophobicContact CG2-CB 4.1Å; V82-A102 PolarHBondContact N-O 3.46Å; V82-V103 WeakPolarHBondContact O-CA 3.45Å; V82-K104 PolarHBondContact O-N 3.34Å
83V96.8Very high91.7Very high0 Ų047.5 Ų47.50%029%0.288CS..EExtended strand (participates in β ladder)trans-90.6125.4178.7-166.50000108.5V58 C59 S60 T81 K104 A106 A113 E116 A117 L120V58-V83 HydrophobicContact CG2-CG2 3.95Å; C59-V83 PolarHBondContact O-N 3.44Å; S60-V83 CarbonylContact C-O 3.52Å; S60-V83 WeakPolarHBondContact CA-O 3.47Å; T81-V83 HydrophobicContact CG2-CG2 4.28Å; V83-K104 CarbonylContact C-O 3.53Å; V83-K104 VanDerWaalsContact CA-O 3.25Å; V83-K104 WeakPolarHBondContact CA-O 3.18Å; V83-K104 HydrophobicContact CG2-CB 4.43Å; V83-A106 HydrophobicContact CG1-CB 3.6Å; V83-A113 HydrophobicContact CG1-CB 3.96Å; V83-A113 WeakPolarHBondContact CG1-O 3.48Å; V83-E116 HydrophobicContact CG1-CB 4.15Å; V83-E116 HydrophobicContact CG1-CG 4.06Å; V83-A117 HydrophobicContact CB-CB 4.17Å; V83-A117 HydrophobicContact CG2-CB 3.86Å; V83-L120 HydrophobicContact CG2-CD1 3.84Å
84V93.3Very high91.5Very high0 Ų054.9 Ų54.90%032%0.316CS..EExtended strand (participates in β ladder)trans-132.7149.8-175.7-55.60000110.5V82 T88 V93 L96 V103 K104 V105 A106V82-V84 HydrophobicContact CG1-CG1 3.85Å; V84-T88 HydrophobicContact CB-CG2 4.11Å; V84-T88 WeakPolarHBondContact CB-OG1 3.38Å; V84-T88 HydrophobicContact CG1-CG2 4.43Å; V84-T88 HydrophobicContact CG2-CG2 4.16Å; V84-V93 HydrophobicContact CG2-CG2 4.47Å; V84-L96 HydrophobicContact CG1-CD1 4.24Å; V84-V103 HydrophobicContact CG1-CG1 4.28Å; V84-V103 HydrophobicContact CG2-CG1 3.63Å; V84-K104 PolarHBondContact N-O 3.35Å; V84-V105 HydrophobicContact CG2-CG2 4.2Å; V84-V105 CarbonylContact O-C 3.56Å; V84-V105 VanDerWaalsContact O-CA 3.25Å; V84-V105 WeakPolarHBondContact O-CA 3.36Å; V84-A106 PolarHBondContact O-N 3.17Å
85P88.8Confident91.2Very high14 Ų1452.3 Ų52.39%0.09131%0.306CS..  trans-71.716117429.1-35.1000111.8S87 T88P85-S87 PolarHBondContact O-N 2.77Å; P85-S87 VanDerWaalsContact O-N 3.09Å; P85-T88 VanDerWaalsContact CD-OG1 3.31Å; P85-T88 WeakPolarHBondContact CD-OG1 3.19Å; P85-T88 VanDerWaalsContact O-CB 3.27Å; P85-T88 WeakPolarHBondContact O-CB 3.4Å; P85-T88 PolarHBondContact O-N 3.03Å; P85-T88 PolarHBondContact O-OG1 3.27Å
86S87.7Confident91.2Very high80 Ų8046.5 Ų46.556%0.55928%0.281SS*.THydrogen-bonded Turntrans-62-17.7178.6670000114.3T88 G107S86-T88 VanDerWaalsContact C-N 3.25Å; S86-T88 PolarHBondContact O-N 2.68Å; S86-G107 PolarHBondContact N-O 3.14Å; S86-G107 PolarHBondContact OG-O 2.92Å
87S81.3Confident91.2Very high85 Ų8549 Ų4959%0.59429%0.292SS*.THydrogen-bonded Turntrans-78.3-5175.351.90000113.8P85 K108P85-S87 PolarHBondContact O-N 2.77Å; P85-S87 VanDerWaalsContact O-N 3.09Å; S87-K108 PolarHBondContact OG-O 3.25Å
88T83.1Confident91.1Very high25 Ų2551.3 Ų51.315%0.15328%0.284CS..SBendtrans-66.7127.5-177-580000111.2V84 P85 S86 V92 V93V84-T88 HydrophobicContact CB-CG2 4.11Å; V84-T88 WeakPolarHBondContact CB-OG1 3.38Å; V84-T88 HydrophobicContact CG1-CG2 4.43Å; V84-T88 HydrophobicContact CG2-CG2 4.16Å; P85-T88 VanDerWaalsContact CD-OG1 3.31Å; P85-T88 WeakPolarHBondContact CD-OG1 3.19Å; P85-T88 VanDerWaalsContact O-CB 3.27Å; P85-T88 WeakPolarHBondContact O-CB 3.4Å; P85-T88 PolarHBondContact O-N 3.03Å; P85-T88 PolarHBondContact O-OG1 3.27Å; S86-T88 VanDerWaalsContact C-N 3.25Å; S86-T88 PolarHBondContact O-N 2.68Å; T88-V92 HydrophobicContact CG2-CB 3.81Å; T88-V92 HydrophobicContact CG2-CG1 3.66Å; T88-V93 HydrophobicContact CG2-CG2 4.08Å
89P84.2Confident90.8Very high76 Ų7651.4 Ų51.449%0.49428%0.284SS..  trans-58.5141.3-179.4-26.534.8000112.6L91 V92 V93P89-L91 PolarHBondContact O-N 3.07Å; P89-L91 VanDerWaalsContact O-N 3.12Å; P89-V92 HydrophobicContact CB-CG2 4.26Å; P89-V92 HydrophobicContact CG-CG2 4.38Å; P89-V92 WeakPolarHBondContact O-CB 3.42Å; P89-V92 PolarHBondContact O-N 3.13Å; P89-V93 PolarHBondContact O-N 2.93Å
90P87Confident90.6Very high110 Ų11050.3 Ų50.371%0.71429%0.288SS*.Hα-helixtrans-55.3-33.3178.8-28.735.5000114.1V92 V93 R94P90-V92 VanDerWaalsContact C-N 3.3Å; P90-V92 PolarHBondContact O-N 2.73Å; P90-V93 PolarHBondContact O-N 2.78Å; P90-R94 WeakPolarHBondContact O-CB 3.33Å; P90-R94 PolarHBondContact O-N 3.31Å
91L85.3Confident90.6Very high57 Ų5750.3 Ų50.330%0.29829%0.287SS..Hα-helixtrans-60.2-39.6175.8179.362.8000112.3P89 R95P89-L91 PolarHBondContact O-N 3.07Å; P89-L91 VanDerWaalsContact O-N 3.12Å; L91-R95 WeakPolarHBondContact O-CG 3.37Å; L91-R95 PolarHBondContact O-N 3.05Å
92V86.3Confident90.6Very high18 Ų1851.8 Ų51.811%0.10930%0.302CS..Hα-helixtrans-67.5-46.5178.5172.20000110.3G62 T88 P89 P90 R94 R95 L96G62-V92 WeakPolarHBondContact O-CG1 3.42Å; T88-V92 HydrophobicContact CG2-CB 3.81Å; T88-V92 HydrophobicContact CG2-CG1 3.66Å; P89-V92 HydrophobicContact CB-CG2 4.26Å; P89-V92 HydrophobicContact CG-CG2 4.38Å; P89-V92 WeakPolarHBondContact O-CB 3.42Å; P89-V92 PolarHBondContact O-N 3.13Å; P90-V92 VanDerWaalsContact C-N 3.3Å; P90-V92 PolarHBondContact O-N 2.73Å; V92-R94 VanDerWaalsContact C-N 3.32Å; V92-R94 PolarHBondContact O-N 2.86Å; V92-R95 PolarHBondContact O-N 3.26Å; V92-L96 HydrophobicContact CG1-CD1 4.16Å; V92-L96 WeakPolarHBondContact O-CG 3.23Å; V92-L96 PolarHBondContact O-N 3.34Å; V92-L96 VanDerWaalsContact O-N 3.11Å
93V91.3Very high90.5Very high30 Ų3053.2 Ų53.218%0.18231%0.311CS..Hα-helixtrans-56.6-48.1175.7174.80000110.7V84 T88 P89 P90 R95 L96 Q97 V103V84-V93 HydrophobicContact CG2-CG2 4.47Å; T88-V93 HydrophobicContact CG2-CG2 4.08Å; P89-V93 PolarHBondContact O-N 2.93Å; P90-V93 PolarHBondContact O-N 2.78Å; V93-R95 PolarHBondContact O-N 3.2Å; V93-L96 PolarHBondContact O-N 3.49Å; V93-Q97 WeakPolarHBondContact O-CG 3.33Å; V93-Q97 PolarHBondContact O-N 3.02Å; V93-V103 HydrophobicContact CG1-CB 4.14Å; V93-V103 HydrophobicContact CG1-CG1 3.98Å; V93-V103 HydrophobicContact CG1-CG2 4.3Å; V93-V103 HydrophobicContact CG2-CG1 4.24Å
94R91.1Very high90.5Very high156 Ų15657 Ų5759%0.58933%0.328SS*.Hα-helixtrans-60.5-45.7179.1-178.5-179.8168.1176.61.7112.1P90 V92 L96 Q97 E98P90-R94 WeakPolarHBondContact O-CB 3.33Å; P90-R94 PolarHBondContact O-N 3.31Å; V92-R94 VanDerWaalsContact C-N 3.32Å; V92-R94 PolarHBondContact O-N 2.86Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.3Å; R94-Q97 PolarHBondContact O-N 3.28Å; R94-E98 HydrophobicContact CG-CG 4.38Å; R94-E98 IonicContact CZ-OE1 3.47Å; R94-E98 IonicContact NE-OE1 2.79Å; R94-E98 PolarHBondContact NE-OE1 2.96Å; R94-E98 IonicContact NH2-OE1 3.33Å; R94-E98 PolarHBondContact NH2-OE1 2.83Å; R94-E98 WeakPolarHBondContact O-CG 3.47Å; R94-E98 PolarHBondContact O-N 3.12Å
95R90.1Very high90.6Very high48 Ų4861.1 Ų61.118%0.18135%0.353CS..Hα-helixtrans-60.4-39.4178.5-78.7178.8172.9158.60.2112.4M67 L91 V92 V93 E98 Q99 S306M67-R95 HydrophobicContact CE-CB 4.17Å; M67-R95 HydrophobicContact SD-CB 4.07Å; L91-R95 WeakPolarHBondContact O-CG 3.37Å; L91-R95 PolarHBondContact O-N 3.05Å; V92-R95 PolarHBondContact O-N 3.26Å; V93-R95 PolarHBondContact O-N 3.2Å; R95-E98 PolarHBondContact O-N 3.1Å; R95-Q99 WeakPolarHBondContact O-CG 3.46Å; R95-Q99 PolarHBondContact O-N 2.72Å; R95-S306 PolarHBondContact NH1-O 3.29Å
96L94Very high90.8Very high0 Ų061.2 Ų61.20%035%0.354CS..Hα-helixtrans-66.3-42.4175.8-68.4164.9000111.7M67 V82 V84 V92 V93 R94 Q99 G100 A101 V103M67-L96 HydrophobicContact CG-CD2 4.15Å; M67-L96 HydrophobicContact SD-CD2 3.64Å; M67-L96 HydrophobicContact SD-CG 4.09Å; V82-L96 HydrophobicContact CB-CD1 4.2Å; V82-L96 HydrophobicContact CB-CD2 4.42Å; V82-L96 HydrophobicContact CG1-CD1 3.8Å; V82-L96 HydrophobicContact CG1-CD2 4.24Å; V82-L96 HydrophobicContact CG2-CD2 4.12Å; V84-L96 HydrophobicContact CG1-CD1 4.24Å; V92-L96 HydrophobicContact CG1-CD1 4.16Å; V92-L96 WeakPolarHBondContact O-CG 3.23Å; V92-L96 PolarHBondContact O-N 3.34Å; V92-L96 VanDerWaalsContact O-N 3.11Å; V93-L96 PolarHBondContact O-N 3.49Å; R94-L96 VanDerWaalsContact C-N 3.31Å; R94-L96 PolarHBondContact O-N 3.3Å; L96-Q99 WeakPolarHBondContact O-CA 3.32Å; L96-Q99 WeakPolarHBondContact O-CB 3.36Å; L96-Q99 PolarHBondContact O-N 2.77Å; L96-Q99 VanDerWaalsContact O-N 3.08Å; L96-G100 PolarHBondContact O-N 2.91Å; L96-A101 PolarHBondContact O-N 3.48Å; L96-V103 HydrophobicContact CB-CG2 3.6Å; L96-V103 HydrophobicContact CD1-CG2 4.16Å
97Q94.8Very high90.7Very high108 Ų10859.1 Ų59.151%0.50535%0.346SS..Hα-helixtrans-64.8-38.7175.8-70.4171.9-2500112.3V93 R94 Q99 G100 V103V93-Q97 WeakPolarHBondContact O-CG 3.33Å; V93-Q97 PolarHBondContact O-N 3.02Å; R94-Q97 PolarHBondContact O-N 3.28Å; Q97-Q99 PolarHBondContact O-N 2.81Å; Q97-G100 WeakPolarHBondContact O-CA 3.36Å; Q97-G100 PolarHBondContact O-N 2.59Å; Q97-V103 HydrophobicContact CG-CG2 3.83Å
98E91.6Very high90.6Very high115 Ų11562.9 Ų62.954%0.53735%0.352SS..Hα-helixtrans-62.5-25.2172.6-74.1170.9176.400111.9R94 R95 G100R94-E98 HydrophobicContact CG-CG 4.38Å; R94-E98 IonicContact CZ-OE1 3.47Å; R94-E98 IonicContact NE-OE1 2.79Å; R94-E98 PolarHBondContact NE-OE1 2.96Å; R94-E98 IonicContact NH2-OE1 3.33Å; R94-E98 PolarHBondContact NH2-OE1 2.83Å; R94-E98 WeakPolarHBondContact O-CG 3.47Å; R94-E98 PolarHBondContact O-N 3.12Å; R95-E98 PolarHBondContact O-N 3.1Å; E98-G100 PolarHBondContact O-N 2.96Å
99Q90.8Very high90.3Very high39 Ų3965.4 Ų65.418%0.18237%0.367CS..THydrogen-bonded Turntrans-79.1-4.9169.5-64-62.1-30.600113.8M67 A70 R74 R95 L96 Q97M67-Q99 HydrophobicContact CE-CG 3.43Å; M67-Q99 VanDerWaalsContact CE-CG 3.43Å; M67-Q99 HydrophobicContact SD-CG 4.03Å; A70-Q99 HydrophobicContact CB-CB 3.68Å; R74-Q99 VanDerWaalsContact CZ-OE1 3.25Å; R74-Q99 VanDerWaalsContact NH1-C 3.31Å; R74-Q99 PolarHBondContact NH1-O 3.47Å; R95-Q99 WeakPolarHBondContact O-CG 3.46Å; R95-Q99 PolarHBondContact O-N 2.72Å; L96-Q99 WeakPolarHBondContact O-CA 3.32Å; L96-Q99 WeakPolarHBondContact O-CB 3.36Å; L96-Q99 PolarHBondContact O-N 2.77Å; L96-Q99 VanDerWaalsContact O-N 3.08Å; Q97-Q99 PolarHBondContact O-N 2.81Å
100G92.6Very high90.2Very high60 Ų6067 Ų6762%0.61936%0.363SS*.THydrogen-bonded Turntrans86.412.9-178.400000114.2L96 Q97 E98L96-G100 PolarHBondContact O-N 2.91Å; Q97-G100 WeakPolarHBondContact O-CA 3.36Å; Q97-G100 PolarHBondContact O-N 2.59Å; E98-G100 PolarHBondContact O-N 2.96Å
101A96.9Very high89.9Confident7 Ų766.4 Ų66.46%0.05835%0.354CS..PPolyproline II helixtrans-83141.6174.900000111.8A70 A80 V82 L96A70-A101 HydrophobicContact CB-CB 3.72Å; A80-A101 HydrophobicContact CB-CB 4.04Å; A80-A101 CarbonylContact O-C 3.44Å; A80-A101 WeakPolarHBondContact O-CA 3.19Å; V82-A101 HydrophobicContact CG2-CB 4.1Å; L96-A101 PolarHBondContact O-N 3.48Å
102A97.4Very high89.9Confident58 Ų5867.1 Ų67.148%0.47936%0.358SS..EExtended strand (participates in β ladder)trans-71.1125.8161.700000108.6A80 T81 V82A80-A102 PolarHBondContact O-N 3.49Å; T81-A102 CarbonylContact C-O 3.57Å; T81-A102 VanDerWaalsContact CA-O 3.31Å; T81-A102 WeakPolarHBondContact CA-O 3.31Å; V82-A102 PolarHBondContact N-O 3.46Å
103V97.1Very high90.1Very high32 Ų3266.3 Ų66.319%0.19435%0.353CS..EExtended strand (participates in β ladder)trans-102.2118.5176.2-177.10000108.8V82 V84 V93 L96 Q97V82-V103 WeakPolarHBondContact O-CA 3.45Å; V84-V103 HydrophobicContact CG1-CG1 4.28Å; V84-V103 HydrophobicContact CG2-CG1 3.63Å; V93-V103 HydrophobicContact CG1-CB 4.14Å; V93-V103 HydrophobicContact CG1-CG1 3.98Å; V93-V103 HydrophobicContact CG1-CG2 4.3Å; V93-V103 HydrophobicContact CG2-CG1 4.24Å; L96-V103 HydrophobicContact CB-CG2 3.6Å; L96-V103 HydrophobicContact CD1-CG2 4.16Å; Q97-V103 HydrophobicContact CG-CG2 3.83Å
104K96.4Very high90Very high79 Ų7966.4 Ų66.434%0.34335%0.352SS..EExtended strand (participates in β ladder)trans-105.5123.5177-172.6176.7-170.5169.70109.3T81 V82 V83 V84 E116 L120T81-K104 HydrophobicContact CG2-CB 4.25Å; V82-K104 PolarHBondContact O-N 3.34Å; V83-K104 CarbonylContact C-O 3.53Å; V83-K104 VanDerWaalsContact CA-O 3.25Å; V83-K104 WeakPolarHBondContact CA-O 3.18Å; V83-K104 HydrophobicContact CG2-CB 4.43Å; V84-K104 PolarHBondContact N-O 3.35Å; K104-E116 HydrophobicContact CD-CG 4.36Å; K104-E116 WeakPolarHBondContact CE-OE1 3.42Å; K104-E116 IonicContact NZ-OE1 2.73Å; K104-E116 PolarHBondContact NZ-OE1 2.89Å; K104-L120 HydrophobicContact CD-CD1 3.87Å
105V94.4Very high90.1Very high87 Ų8761.8 Ų61.853%0.52735%0.347SS..EExtended strand (participates in β ladder)trans-86124.9172.8-178.50000109V84V84-V105 HydrophobicContact CG2-CG2 4.2Å; V84-V105 CarbonylContact O-C 3.56Å; V84-V105 VanDerWaalsContact O-CA 3.25Å; V84-V105 WeakPolarHBondContact O-CA 3.36Å
106A92.9Very high90.4Very high15 Ų1561 Ų6112%0.12435%0.346CS..  trans-140.8123.8176.900000111.1V83 V84 E116V83-A106 HydrophobicContact CG1-CB 3.6Å; V84-A106 PolarHBondContact O-N 3.17Å; A106-E116 HydrophobicContact CB-CB 3.79Å; A106-E116 HydrophobicContact CB-CG 3.8Å
107G85.5Confident90.5Very high37 Ų3761 Ų6138%0.38135%0.346SS..SBendtrans65.6-171.9178.400000115.5S86 D112S86-G107 PolarHBondContact N-O 3.14Å; S86-G107 PolarHBondContact OG-O 2.92Å; G107-D112 WeakPolarHBondContact CA-OD2 3.06Å
108K79.5Confident90.6Very high164 Ų16459.2 Ų59.271%0.71334%0.34SS*.SBendtrans-103.7-26.3-174.5-64.8-177.7-178.5178.70112.1S87 D112S87-K108 PolarHBondContact OG-O 3.25Å; K108-D112 PolarHBondContact N-OD2 3.27Å
109V77.3Confident90.8Very high77 Ų7758.7 Ų58.747%0.46733%0.333SS..SBendtrans-122.9165.5-177.5-61.70000111.1D111 D112 A113V109-D111 VanDerWaalsContact C-N 3.28Å; V109-D111 HydrophobicContact CG2-CB 4.32Å; V109-D111 PolarHBondContact O-N 3.2Å; V109-D112 WeakPolarHBondContact CG2-OD2 3.38Å; V109-D112 PolarHBondContact N-OD2 3.5Å; V109-D112 PolarHBondContact O-N 3.14Å; V109-A113 PolarHBondContact O-N 2.88Å
110W82.9Confident91.1Very high109 Ų10957 Ų5741%0.41333%0.325SS..Hα-helixtrans-60.6-36.2-177.9179.379.6000112.9S60 D112 A113 N114S60-W110 PolarHBondContact O-NE1 3.43Å; W110-D112 VanDerWaalsContact C-N 3.29Å; W110-D112 PolarHBondContact O-N 3.38Å; W110-A113 WeakPolarHBondContact O-CB 3.48Å; W110-A113 PolarHBondContact O-N 3.1Å; W110-A113 VanDerWaalsContact O-N 3.13Å; W110-N114 HydrophobicContact CD2-CB 4.41Å; W110-N114 HydrophobicContact CE3-CB 4.33Å; W110-N114 HydrophobicContact CH2-CB 3.93Å; W110-N114 HydrophobicContact CZ2-CB 3.98Å; W110-N114 HydrophobicContact CZ3-CB 4.1Å; W110-N114 WeakPolarHBondContact O-CB 3.21Å; W110-N114 PolarHBondContact O-N 3.31Å
111D80Confident91.3Very high99 Ų9954.8 Ų54.853%0.52930%0.301SS..Hα-helixtrans-60-38.3179.2-64.3-50000112.4V109 N114 A115V109-D111 VanDerWaalsContact C-N 3.28Å; V109-D111 HydrophobicContact CG2-CB 4.32Å; V109-D111 PolarHBondContact O-N 3.2Å; D111-N114 PolarHBondContact O-N 2.88Å; D111-A115 WeakPolarHBondContact O-CB 3.43Å; D111-A115 PolarHBondContact O-N 3.18Å
112D85.1Confident91.2Very high72 Ų7262 Ų6239%0.38533%0.333SS..Hα-helixtrans-64-45.3175.4-58.4-33000111.2G107 K108 V109 W110 N114 A115 E116G107-D112 WeakPolarHBondContact CA-OD2 3.06Å; K108-D112 PolarHBondContact N-OD2 3.27Å; V109-D112 WeakPolarHBondContact CG2-OD2 3.38Å; V109-D112 PolarHBondContact N-OD2 3.5Å; V109-D112 PolarHBondContact O-N 3.14Å; W110-D112 VanDerWaalsContact C-N 3.29Å; W110-D112 PolarHBondContact O-N 3.38Å; D112-N114 VanDerWaalsContact C-N 3.28Å; D112-N114 PolarHBondContact O-N 3.26Å; D112-A115 PolarHBondContact O-N 3.43Å; D112-E116 PolarHBondContact O-N 3.22Å
113A89.7Confident91.1Very high0 Ų063.2 Ų63.20%034%0.335CS..Hα-helixtrans-64.5-35.5177.700000111.5V83 V109 W110 A117V83-A113 HydrophobicContact CG1-CB 3.96Å; V83-A113 WeakPolarHBondContact CG1-O 3.48Å; V109-A113 PolarHBondContact O-N 2.88Å; W110-A113 WeakPolarHBondContact O-CB 3.48Å; W110-A113 PolarHBondContact O-N 3.1Å; W110-A113 VanDerWaalsContact O-N 3.13Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 3.23Å
114N90.9Very high91Very high32 Ų3266 Ų6617%0.17135%0.346CS..Hα-helixtrans-69.3-45.6175.7-170.864.4000112.4S60 W110 D111 D112 E116 A117 L118 F128S60-N114 WeakPolarHBondContact CB-OD1 3.29Å; S60-N114 PolarHBondContact OG-OD1 3.26Å; W110-N114 HydrophobicContact CD2-CB 4.41Å; W110-N114 HydrophobicContact CE3-CB 4.33Å; W110-N114 HydrophobicContact CH2-CB 3.93Å; W110-N114 HydrophobicContact CZ2-CB 3.98Å; W110-N114 HydrophobicContact CZ3-CB 4.1Å; W110-N114 WeakPolarHBondContact O-CB 3.21Å; W110-N114 PolarHBondContact O-N 3.31Å; D111-N114 PolarHBondContact O-N 2.88Å; D112-N114 VanDerWaalsContact C-N 3.28Å; D112-N114 PolarHBondContact O-N 3.26Å; N114-E116 VanDerWaalsContact C-N 3.29Å; N114-E116 PolarHBondContact O-N 3.46Å; N114-A117 PolarHBondContact O-N 2.87Å; N114-L118 WeakPolarHBondContact O-CG 3.35Å; N114-L118 PolarHBondContact O-N 3.46Å; N114-F128 WeakPolarHBondContact OD1-CZ 3.29Å
115A93.1Very high90.8Very high59 Ų5968.3 Ų68.349%0.48836%0.358SS..Hα-helixtrans-58.2-43.5175.100000111.3D111 D112 L118 R119D111-A115 WeakPolarHBondContact O-CB 3.43Å; D111-A115 PolarHBondContact O-N 3.18Å; D112-A115 PolarHBondContact O-N 3.43Å; A115-L118 PolarHBondContact O-N 3.26Å; A115-R119 WeakPolarHBondContact O-CB 3.39Å; A115-R119 PolarHBondContact O-N 3.28Å
116E96.1Very high90.9Very high33 Ų3365.1 Ų65.115%0.15434%0.338CS..Hα-helixtrans-67.4-38.8175.9176.759.7-172.600112.6V83 K104 A106 D112 N114 L118 R119 L120V83-E116 HydrophobicContact CG1-CB 4.15Å; V83-E116 HydrophobicContact CG1-CG 4.06Å; K104-E116 HydrophobicContact CD-CG 4.36Å; K104-E116 WeakPolarHBondContact CE-OE1 3.42Å; K104-E116 IonicContact NZ-OE1 2.73Å; K104-E116 PolarHBondContact NZ-OE1 2.89Å; A106-E116 HydrophobicContact CB-CB 3.79Å; A106-E116 HydrophobicContact CB-CG 3.8Å; D112-E116 PolarHBondContact O-N 3.22Å; N114-E116 VanDerWaalsContact C-N 3.29Å; N114-E116 PolarHBondContact O-N 3.46Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.95Å; E116-R119 PolarHBondContact O-N 3.43Å; E116-R119 IonicContact OE1-CZ 2.74Å; E116-R119 IonicContact OE1-NE 3.81Å; E116-R119 IonicContact OE1-NH2 3.69Å; E116-R119 PolarHBondContact OE1-NH2 3.23Å; E116-R119 IonicContact OE2-CZ 3.11Å; E116-R119 IonicContact OE2-NE 2.83Å; E116-R119 PolarHBondContact OE2-NE 2.88Å; E116-R119 IonicContact OE2-NH2 2.64Å; E116-R119 PolarHBondContact OE2-NH2 3.11Å; E116-L120 HydrophobicContact CG-CD1 4.16Å; E116-L120 HydrophobicContact CG-CG 4.43Å; E116-L120 WeakPolarHBondContact O-CB 3.05Å; E116-L120 VanDerWaalsContact O-CG 3.25Å; E116-L120 WeakPolarHBondContact O-CG 3.44Å; E116-L120 PolarHBondContact O-N 3.28Å
117A96.1Very high91.1Very high0 Ų065.3 Ų65.30%034%0.337CS..Hα-helixtrans-61.7-41.1175.300000112.3V58 V83 A113 N114 L120 A121 F128V58-A117 WeakPolarHBondContact CG1-O 3.43Å; V58-A117 HydrophobicContact CG2-CB 3.94Å; V83-A117 HydrophobicContact CB-CB 4.17Å; V83-A117 HydrophobicContact CG2-CB 3.86Å; A113-A117 WeakPolarHBondContact O-CB 3.37Å; A113-A117 PolarHBondContact O-N 3.23Å; N114-A117 PolarHBondContact O-N 2.87Å; A117-L120 PolarHBondContact O-N 2.93Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.03Å; A117-F128 HydrophobicContact CB-CD2 4.2Å; A117-F128 HydrophobicContact CB-CE2 3.86Å
118L95.9Very high91.7Very high70 Ų7065.8 Ų65.837%0.36633%0.329SS..Hα-helixtrans-65.6-45.3175.2-69.8170.8000111.2N114 A115 E116 L120 A121 E122 F128N114-L118 WeakPolarHBondContact O-CG 3.35Å; N114-L118 PolarHBondContact O-N 3.46Å; A115-L118 PolarHBondContact O-N 3.26Å; E116-L118 VanDerWaalsContact C-N 3.34Å; E116-L118 PolarHBondContact O-N 2.95Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 3.02Å; L118-A121 WeakPolarHBondContact O-CB 3.29Å; L118-A121 PolarHBondContact O-N 3.05Å; L118-A121 VanDerWaalsContact O-N 3.15Å; L118-E122 PolarHBondContact O-N 2.6Å; L118-E122 VanDerWaalsContact O-N 3.11Å; L118-F128 HydrophobicContact CD2-CD1 3.79Å; L118-F128 HydrophobicContact CD2-CD2 4.18Å; L118-F128 HydrophobicContact CD2-CE1 3.89Å; L118-F128 HydrophobicContact CD2-CE2 4.28Å; L118-F128 HydrophobicContact CD2-CG 3.94Å; L118-F128 HydrophobicContact CD2-CZ 4.14Å
119R97.3Very high92.5Very high104 Ų10458 Ų5839%0.39230%0.295SS..Hα-helixtrans-57.2-45175.3-164.9-163.16666.55.2111.3A115 E116 E122 T123A115-R119 WeakPolarHBondContact O-CB 3.39Å; A115-R119 PolarHBondContact O-N 3.28Å; E116-R119 PolarHBondContact O-N 3.43Å; E116-R119 IonicContact OE1-CZ 2.74Å; E116-R119 IonicContact OE1-NE 3.81Å; E116-R119 IonicContact OE1-NH2 3.69Å; E116-R119 PolarHBondContact OE1-NH2 3.23Å; E116-R119 IonicContact OE2-CZ 3.11Å; E116-R119 IonicContact OE2-NE 2.83Å; E116-R119 PolarHBondContact OE2-NE 2.88Å; E116-R119 IonicContact OE2-NH2 2.64Å; E116-R119 PolarHBondContact OE2-NH2 3.11Å; R119-E122 PolarHBondContact O-N 3.24Å; R119-T123 HydrophobicContact CG-CG2 4.37Å; R119-T123 PolarHBondContact NH1-OG1 2.95Å; R119-T123 WeakPolarHBondContact O-CG2 3.27Å; R119-T123 PolarHBondContact O-N 3.46Å; R119-T123 PolarHBondContact O-OG1 3.07Å
120L96.3Very high93.4Very high3 Ų355 Ų552%0.01628%0.277CS..Hα-helixtrans-64-41.5176.6-70.8171.6000112.2V58 T81 V83 K104 E116 A117 L118 E122 T123 E124 L126V58-L120 HydrophobicContact CG2-CB 4.33Å; V58-L120 HydrophobicContact CG2-CD1 4.36Å; T81-L120 HydrophobicContact CG2-CD1 4.36Å; V83-L120 HydrophobicContact CG2-CD1 3.84Å; K104-L120 HydrophobicContact CD-CD1 3.87Å; E116-L120 HydrophobicContact CG-CD1 4.16Å; E116-L120 HydrophobicContact CG-CG 4.43Å; E116-L120 WeakPolarHBondContact O-CB 3.05Å; E116-L120 VanDerWaalsContact O-CG 3.25Å; E116-L120 WeakPolarHBondContact O-CG 3.44Å; E116-L120 PolarHBondContact O-N 3.28Å; A117-L120 PolarHBondContact O-N 2.93Å; L118-L120 VanDerWaalsContact C-N 3.3Å; L118-L120 PolarHBondContact O-N 3.02Å; L120-E122 VanDerWaalsContact C-N 3.26Å; L120-E122 PolarHBondContact O-N 3.2Å; L120-T123 PolarHBondContact O-N 3.3Å; L120-E124 HydrophobicContact CD2-CG 4.42Å; L120-E124 WeakPolarHBondContact CD2-OE1 3.45Å; L120-E124 WeakPolarHBondContact O-CB 3.31Å; L120-E124 PolarHBondContact O-N 2.85Å; L120-L126 HydrophobicContact CB-CD1 4.41Å
121A96.3Very high93.8Very high14 Ų1450.6 Ų50.612%0.11626%0.263CS..Hα-helixtrans-54.2-46.2176.200000111.5V58 A117 L118 Q125 L126 F128V58-A121 HydrophobicContact CG1-CB 3.7Å; A117-A121 WeakPolarHBondContact O-CB 3.43Å; A117-A121 PolarHBondContact O-N 3.03Å; L118-A121 WeakPolarHBondContact O-CB 3.29Å; L118-A121 PolarHBondContact O-N 3.05Å; L118-A121 VanDerWaalsContact O-N 3.15Å; A121-Q125 WeakPolarHBondContact O-CA 3.35Å; A121-Q125 PolarHBondContact O-N 3.1Å; A121-L126 WeakPolarHBondContact CA-O 3.44Å; A121-L126 WeakPolarHBondContact CB-O 3.5Å; A121-L126 PolarHBondContact O-N 2.81Å; A121-F128 HydrophobicContact CB-CB 3.85Å
122E94.8Very high94.5Very high157 Ų15747.9 Ų47.973%0.73425%0.246SC*.Hα-helixtrans-70.8-53.7177.9-67.2176.9-178.800112.4L118 R119 L120 E124L118-E122 PolarHBondContact O-N 2.6Å; L118-E122 VanDerWaalsContact O-N 3.11Å; R119-E122 PolarHBondContact O-N 3.24Å; L120-E122 VanDerWaalsContact C-N 3.26Å; L120-E122 PolarHBondContact O-N 3.2Å; E122-E124 PolarHBondContact O-N 3.28Å
123T95.8Very high95Very high84 Ų8448.1 Ų48.152%0.51525%0.248SC..Hα-helixtrans-72.9-28-170.659.30000113.7R119 L120R119-T123 HydrophobicContact CG-CG2 4.37Å; R119-T123 PolarHBondContact NH1-OG1 2.95Å; R119-T123 WeakPolarHBondContact O-CG2 3.27Å; R119-T123 PolarHBondContact O-N 3.46Å; R119-T123 PolarHBondContact O-OG1 3.07Å; L120-T123 PolarHBondContact O-N 3.3Å
124E94.7Very high95.4Very high92 Ų9250.7 Ų50.743%0.4326%0.259SS..Hα-helixtrans-108.85.2-175.7-62.2-177-162.400113.1L120 E122 L126L120-E124 HydrophobicContact CD2-CG 4.42Å; L120-E124 WeakPolarHBondContact CD2-OE1 3.45Å; L120-E124 WeakPolarHBondContact O-CB 3.31Å; L120-E124 PolarHBondContact O-N 2.85Å; E122-E124 PolarHBondContact O-N 3.28Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 HydrophobicContact CB-CD1 4Å; E124-L126 HydrophobicContact CB-CD2 4.32Å; E124-L126 HydrophobicContact CB-CG 3.78Å; E124-L126 PolarHBondContact O-N 3.35Å
125Q93.3Very high95.7Very high126 Ų12652.8 Ų52.859%0.58928%0.275SS*.THydrogen-bonded Turntrans55.148-176.7-57172.6-2.500111.5S54 K55 A121S54-Q125 PolarHBondContact OG-O 3.06Å; S54-Q125 VanDerWaalsContact OG-O 3.04Å; K55-Q125 HydrophobicContact CD-CB 4.32Å; K55-Q125 HydrophobicContact CG-CB 4.45Å; K55-Q125 PolarHBondContact N-O 2.83Å; K55-Q125 VanDerWaalsContact N-O 3.09Å; A121-Q125 WeakPolarHBondContact O-CA 3.35Å; A121-Q125 PolarHBondContact O-N 3.1Å
126L96.3Very high96Very high21 Ų2151.4 Ų51.411%0.1126%0.259CS..PPolyproline II helixtrans-100.1149.6176.5-48.8174.2000109.9S54 K55 V58 L120 A121 E124 F128S54-L126 WeakPolarHBondContact OG-CA 3.37Å; K55-L126 HydrophobicContact CB-CD2 4.15Å; V58-L126 HydrophobicContact CB-CB 4.24Å; V58-L126 HydrophobicContact CB-CD1 3.98Å; V58-L126 HydrophobicContact CG1-CB 3.86Å; V58-L126 HydrophobicContact CG1-CD1 4.3Å; L120-L126 HydrophobicContact CB-CD1 4.41Å; A121-L126 WeakPolarHBondContact CA-O 3.44Å; A121-L126 WeakPolarHBondContact CB-O 3.5Å; A121-L126 PolarHBondContact O-N 2.81Å; E124-L126 VanDerWaalsContact C-N 3.32Å; E124-L126 HydrophobicContact CB-CD1 4Å; E124-L126 HydrophobicContact CB-CD2 4.32Å; E124-L126 HydrophobicContact CB-CG 3.78Å; E124-L126 PolarHBondContact O-N 3.35Å; L126-F128 PolarHBondContact O-N 2.94Å
127T97.1Very high96.1Very high18 Ų1849.8 Ų49.811%0.1125%0.252CS..EExtended strand (participates in β ladder)trans-81.5116.5172.3-64.20000108.5L46 L50 A51 S54 G56 V57 V58 V129L46-T127 HydrophobicContact CD2-CG2 4.11Å; L50-T127 HydrophobicContact CB-CG2 3.78Å; A51-T127 WeakPolarHBondContact CA-OG1 3.45Å; A51-T127 HydrophobicContact CB-CG2 4.31Å; S54-T127 WeakPolarHBondContact CB-OG1 3.39Å; S54-T127 PolarHBondContact OG-N 2.9Å; S54-T127 PolarHBondContact OG-OG1 3.17Å; G56-T127 PolarHBondContact O-N 2.89Å; V57-T127 WeakPolarHBondContact CA-O 3.23Å; V58-T127 PolarHBondContact N-O 3.15Å; T127-V129 PolarHBondContact O-N 3.15Å
128F97.5Very high96.2Very high48 Ų4851.5 Ų51.521%0.21126%0.258CS..EExtended strand (participates in β ladder)trans-70.3127.7170.8-178.9-113.4000110.2V58 N114 A117 L118 A121 L126 P130V58-F128 HydrophobicContact CG1-CB 4.41Å; V58-F128 HydrophobicContact CG1-CD2 4.29Å; V58-F128 CarbonylContact O-C 3.34Å; V58-F128 WeakPolarHBondContact O-CA 3.5Å; N114-F128 WeakPolarHBondContact OD1-CZ 3.29Å; A117-F128 HydrophobicContact CB-CD2 4.2Å; A117-F128 HydrophobicContact CB-CE2 3.86Å; L118-F128 HydrophobicContact CD2-CD1 3.79Å; L118-F128 HydrophobicContact CD2-CD2 4.18Å; L118-F128 HydrophobicContact CD2-CE1 3.89Å; L118-F128 HydrophobicContact CD2-CE2 4.28Å; L118-F128 HydrophobicContact CD2-CG 3.94Å; L118-F128 HydrophobicContact CD2-CZ 4.14Å; A121-F128 HydrophobicContact CB-CB 3.85Å; L126-F128 PolarHBondContact O-N 2.94Å; F128-P130 HydrophobicContact CD1-CB 4.47Å; F128-P130 HydrophobicContact CE1-CB 3.96Å; F128-P130 VanDerWaalsContact O-CD 3.26Å; F128-P130 WeakPolarHBondContact O-CD 3.39Å
129V97.3Very high96.3Very high0 Ų051.6 Ų51.60%026%0.256CS..  trans-104.998.9176.8-178.20000108.5V43 L46 V57 V58 C59 A69 T127V43-V129 HydrophobicContact CB-CG1 4.41Å; V43-V129 HydrophobicContact CG1-CG1 3.78Å; V43-V129 HydrophobicContact CG2-CG1 3.99Å; L46-V129 HydrophobicContact CD2-CG2 4.21Å; V57-V129 HydrophobicContact CB-CG2 4.03Å; V57-V129 HydrophobicContact CG1-CG2 4.41Å; V58-V129 PolarHBondContact O-N 2.73Å; C59-V129 HydrophobicContact CB-CB 4.29Å; C59-V129 PolarHBondContact SG-O 3.22Å; A69-V129 HydrophobicContact CB-CB 4.35Å; A69-V129 HydrophobicContact CB-CG1 4.17Å; A69-V129 HydrophobicContact CB-CG2 4.4Å; T127-V129 PolarHBondContact O-N 3.15Å
130P95Very high96.3Very high13 Ų1346.9 Ų46.98%0.08424%0.24CC..  trans-65.4152.5175.822.8-29000111L46 F128 F132 H134 L137L46-P130 HydrophobicContact CD1-CG 4.08Å; F128-P130 HydrophobicContact CD1-CB 4.47Å; F128-P130 HydrophobicContact CE1-CB 3.96Å; F128-P130 VanDerWaalsContact O-CD 3.26Å; F128-P130 WeakPolarHBondContact O-CD 3.39Å; P130-F132 PolarHBondContact O-N 3.39Å; P130-H134 HydrophobicContact CG-CB 3.68Å; P130-L137 HydrophobicContact CB-CD1 4.41Å; P130-L137 HydrophobicContact CG-CD1 3.99Å; P130-L137 VanDerWaalsContact O-CD1 3.3Å; P130-L137 WeakPolarHBondContact O-CD1 3.19Å
131P91.2Very high96.5Very high18 Ų1846.9 Ų46.912%0.11724%0.24CC..SBendtrans-75.7-20.4-178.126.8-32.9000114.3K39 A65K39-P131 PolarHBondContact NZ-O 2.77Å; A65-P131 HydrophobicContact CB-CB 3.98Å
132F94.3Very high96.6Very high42 Ų4246.6 Ų46.618%0.18424%0.238CC..SBendtrans-162.2-34.3-177.758.3-97.1000116.3P130 H134 W138 G167 A223 C227P130-F132 PolarHBondContact O-N 3.39Å; F132-H134 PolarHBondContact O-N 3.27Å; F132-W138 PolarHBondContact O-NE1 3.14Å; F132-G167 WeakPolarHBondContact CD2-O 3.45Å; F132-G167 WeakPolarHBondContact CE2-O 3.42Å; F132-A223 HydrophobicContact CE1-CB 4.11Å; F132-A223 HydrophobicContact CZ-CB 4.22Å; F132-C227 HydrophobicContact CD2-CB 4.03Å; F132-C227 HydrophobicContact CE2-CB 4Å
133D96Very high96.8Very high77 Ų7740.4 Ų40.441%0.41221%0.212SC..  trans-92.380.4-169.5-163.60.9000112.3W138 C227D133-W138 VanDerWaalsContact OD1-CZ2 3.23Å; D133-W138 WeakPolarHBondContact OD1-CZ2 3.28Å; D133-C227 HydrophobicContact CB-CB 3.89Å; D133-C227 VanDerWaalsContact CG-CB 3.41Å; D133-C227 WeakPolarHBondContact OD2-CB 3.26Å
134H97.8Very high96.9Very high53 Ų5336.5 Ų36.525%0.24519%0.188CC..  trans-160.5135.8173.4-166-82.6000111L46 P130 F132 L136 L137 W138L46-H134 HydrophobicContact CD1-CB 4.07Å; P130-H134 HydrophobicContact CG-CB 3.68Å; F132-H134 PolarHBondContact O-N 3.27Å; H134-L136 VanDerWaalsContact C-N 3.28Å; H134-L136 WeakPolarHBondContact ND1-CB 3.42Å; H134-L136 PolarHBondContact ND1-N 3.1Å; H134-L136 VanDerWaalsContact ND1-N 3.14Å; H134-L136 PolarHBondContact O-N 2.8Å; H134-L137 HydrophobicContact CB-CB 4.41Å; H134-L137 HydrophobicContact CB-CD1 3.95Å; H134-L137 HydrophobicContact CB-CG 3.95Å; H134-L137 WeakPolarHBondContact O-CB 3.39Å; H134-L137 PolarHBondContact O-N 3.44Å; H134-W138 PolarHBondContact O-N 3.07Å
135P98.3Very high97.1Very high76 Ų7632.1 Ų32.149%0.49417%0.168SC..Hα-helixtrans-53.6-39.7-179.8-29.535.9000114.6L137 W138 E139P135-L137 VanDerWaalsContact C-N 3.35Å; P135-L137 PolarHBondContact O-N 3.44Å; P135-W138 HydrophobicContact CB-CE3 4.37Å; P135-W138 HydrophobicContact CB-CZ3 4.46Å; P135-W138 HydrophobicContact CG-CZ3 4.14Å; P135-W138 PolarHBondContact O-N 3.48Å; P135-E139 PolarHBondContact O-N 3.17Å
136L97.9Very high97.3Very high30 Ų3029.1 Ų29.116%0.15716%0.164CC..Hα-helixtrans-65.9-32.1175.4-61.1177.6000113.4H45 L46 Q49 L50 H134 W138 G140H45-L136 PolarHBondContact CD2-O 3.46Å; L46-L136 HydrophobicContact CB-CB 4.14Å; L46-L136 HydrophobicContact CG-CB 4.39Å; L46-L136 HydrophobicContact CG-CD1 4.49Å; Q49-L136 HydrophobicContact CB-CD1 3.78Å; Q49-L136 HydrophobicContact CG-CD1 4.21Å; Q49-L136 HydrophobicContact CG-CD2 4.16Å; L50-L136 HydrophobicContact CD1-CD1 3.85Å; L50-L136 HydrophobicContact CD2-CD1 3.98Å; L50-L136 HydrophobicContact CG-CD1 3.72Å; H134-L136 VanDerWaalsContact C-N 3.28Å; H134-L136 WeakPolarHBondContact ND1-CB 3.42Å; H134-L136 PolarHBondContact ND1-N 3.1Å; H134-L136 VanDerWaalsContact ND1-N 3.14Å; H134-L136 PolarHBondContact O-N 2.8Å; L136-W138 VanDerWaalsContact C-N 3.34Å; L136-G140 PolarHBondContact O-N 3.42Å
137L98.2Very high97.4Very high0 Ų029.2 Ų29.20%016%0.164CC..Hα-helixtrans-65.2-44.6173.9-67.1174.9000110G42 V43 L46 P130 H134 P135 E139 G140 H141G42-L137 VanDerWaalsContact CA-O 3.23Å; G42-L137 WeakPolarHBondContact CA-O 3.43Å; G42-L137 WeakPolarHBondContact O-CD2 3.36Å; V43-L137 HydrophobicContact CB-CD2 4.47Å; V43-L137 HydrophobicContact CG2-CD2 3.96Å; L46-L137 HydrophobicContact CB-CD2 4Å; L46-L137 HydrophobicContact CD1-CD2 3.88Å; L46-L137 HydrophobicContact CD1-CG 3.84Å; P130-L137 HydrophobicContact CB-CD1 4.41Å; P130-L137 HydrophobicContact CG-CD1 3.99Å; P130-L137 VanDerWaalsContact O-CD1 3.3Å; P130-L137 WeakPolarHBondContact O-CD1 3.19Å; H134-L137 HydrophobicContact CB-CB 4.41Å; H134-L137 HydrophobicContact CB-CD1 3.95Å; H134-L137 HydrophobicContact CB-CG 3.95Å; H134-L137 WeakPolarHBondContact O-CB 3.39Å; H134-L137 PolarHBondContact O-N 3.44Å; P135-L137 VanDerWaalsContact C-N 3.35Å; P135-L137 PolarHBondContact O-N 3.44Å; L137-E139 VanDerWaalsContact C-N 3.35Å; L137-E139 PolarHBondContact O-N 3.11Å; L137-G140 PolarHBondContact O-N 2.9Å; L137-H141 WeakPolarHBondContact O-CB 3.48Å; L137-H141 PolarHBondContact O-CD2 2.61Å; L137-H141 PolarHBondContact O-N 3.39Å
138W98.6Very high97.4Very high36 Ų3628.4 Ų28.414%0.13616%0.159CC..Hα-helixtrans-64.8-40.7179.8-47.3-25.7000111.5F132 D133 H134 P135 L136 H141 A142 C172 G173 R229F132-W138 PolarHBondContact O-NE1 3.14Å; D133-W138 VanDerWaalsContact OD1-CZ2 3.23Å; D133-W138 WeakPolarHBondContact OD1-CZ2 3.28Å; H134-W138 PolarHBondContact O-N 3.07Å; P135-W138 HydrophobicContact CB-CE3 4.37Å; P135-W138 HydrophobicContact CB-CZ3 4.46Å; P135-W138 HydrophobicContact CG-CZ3 4.14Å; P135-W138 PolarHBondContact O-N 3.48Å; L136-W138 VanDerWaalsContact C-N 3.34Å; W138-H141 PolarHBondContact O-N 3.38Å; W138-A142 PolarHBondContact O-N 2.68Å; W138-C172 HydrophobicContact CB-CB 4.05Å; W138-C172 HydrophobicContact CD2-CB 3.71Å; W138-C172 HydrophobicContact CE3-CB 4.36Å; W138-C172 HydrophobicContact CG-CB 3.52Å; W138-G173 WeakPolarHBondContact O-CA 3.27Å; W138-R229 HydrophobicContact CE3-CB 4.49Å; W138-R229 HydrophobicContact CE3-CG 4.15Å; W138-R229 HydrophobicContact CH2-CB 3.34Å; W138-R229 HydrophobicContact CH2-CG 3.89Å; W138-R229 HydrophobicContact CZ2-CB 3.89Å; W138-R229 HydrophobicContact CZ3-CB 3.69Å; W138-R229 HydrophobicContact CZ3-CG 3.66Å
139E98.5Very high97.5Very high71 Ų7127.2 Ų27.233%0.33216%0.158SC..Hα-helixtrans-58-48.9173-174162.1-134.400112.3H45 P135 L137 H141 A142 R176H45-E139 IonicContact CD2-OE2 3.67Å; H45-E139 IonicContact CE1-OE2 2.77Å; H45-E139 VanDerWaalsContact NE2-CD 3.32Å; H45-E139 IonicContact NE2-OE2 2.76Å; H45-E139 PolarHBondContact NE2-OE2 2.91Å; P135-E139 PolarHBondContact O-N 3.17Å; L137-E139 VanDerWaalsContact C-N 3.35Å; L137-E139 PolarHBondContact O-N 3.11Å; E139-H141 PolarHBondContact O-N 3.33Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 3.01Å; E139-R176 VanDerWaalsContact CB-NH1 3.34Å; E139-R176 IonicContact OE1-CZ 3.15Å; E139-R176 IonicContact OE1-NH1 2.68Å; E139-R176 IonicContact OE1-NH2 2.7Å; E139-R176 PolarHBondContact OE1-NH2 3.46Å
140G98.3Very high97.4Very high5 Ų530.9 Ų30.95%0.05219%0.188CC..Hα-helixtrans-64.2-41.3176.700000112R41 L136 L137 A142 S143R41-G140 WeakPolarHBondContact CB-O 3.29Å; L136-G140 PolarHBondContact O-N 3.42Å; L137-G140 PolarHBondContact O-N 2.9Å; G140-A142 VanDerWaalsContact C-N 3.27Å; G140-A142 PolarHBondContact O-N 3.4Å; G140-S143 WeakPolarHBondContact O-CB 3.36Å; G140-S143 PolarHBondContact O-N 3.2Å; G140-S143 PolarHBondContact O-OG 3.18Å; G140-S143 VanDerWaalsContact O-OG 3.05Å
141H98.8Very high97.6Very high3 Ų333 Ų331%0.01421%0.207CC..Hα-helixtrans-62.9-29.9176.9-69.8-33.2000113.3F38 G42 L137 W138 E139 S143 V144 G169F38-H141 AromaticContact CD2-CE1 3.53Å; F38-H141 AromaticContact CD2-ND1 3.6Å; F38-H141 AromaticContact CE2-CE1 3.56Å; F38-H141 AromaticContact CE2-ND1 3.95Å; F38-H141 AromaticContact CE2-NE2 3.72Å; G42-H141 PolarHBondContact N-CE1 2.74Å; G42-H141 VanDerWaalsContact N-CE1 3.33Å; G42-H141 PolarHBondContact N-ND1 3.28Å; L137-H141 WeakPolarHBondContact O-CB 3.48Å; L137-H141 PolarHBondContact O-CD2 2.61Å; L137-H141 PolarHBondContact O-N 3.39Å; W138-H141 PolarHBondContact O-N 3.38Å; E139-H141 PolarHBondContact O-N 3.33Å; H141-S143 PolarHBondContact O-N 3.17Å; H141-S143 VanDerWaalsContact O-N 3.1Å; H141-V144 WeakPolarHBondContact O-CG1 3.3Å; H141-V144 PolarHBondContact O-N 3.44Å; H141-V144 VanDerWaalsContact O-N 3.12Å; H141-G169 PolarHBondContact CD2-O 3.23Å
142A98.6Very high97.8Very high9 Ų933.9 Ų33.97%0.07421%0.211CC..Hα-helixtrans-58.6-23.4177.700000113.3W138 E139 G140 V144 V145 G173 R176W138-A142 PolarHBondContact O-N 2.68Å; E139-A142 WeakPolarHBondContact O-CB 3.37Å; E139-A142 PolarHBondContact O-N 3.01Å; G140-A142 VanDerWaalsContact C-N 3.27Å; G140-A142 PolarHBondContact O-N 3.4Å; A142-V144 PolarHBondContact O-N 3.31Å; A142-V144 VanDerWaalsContact O-N 3.13Å; A142-V145 PolarHBondContact O-N 3Å; A142-V145 VanDerWaalsContact O-N 3.1Å; A142-G173 VanDerWaalsContact CA-O 3.25Å; A142-G173 WeakPolarHBondContact CA-O 3.48Å; A142-G173 WeakPolarHBondContact CB-O 3.08Å; A142-R176 HydrophobicContact CB-CB 4.38Å; A142-R176 HydrophobicContact CB-CG 4.24Å
143S98.5Very high97.8Very high27 Ų2732.9 Ų32.919%0.18921%0.212CC..Hα-helixtrans-60.6-23.7177.377.50000113.4H6 R41 G140 H141 V145 A146 E147H6-S143 PolarHBondContact CE1-OG 3.01Å; H6-S143 PolarHBondContact NE2-OG 3.49Å; H6-S143 VanDerWaalsContact NE2-OG 3.1Å; R41-S143 PolarHBondContact NH1-OG 3.48Å; G140-S143 WeakPolarHBondContact O-CB 3.36Å; G140-S143 PolarHBondContact O-N 3.2Å; G140-S143 PolarHBondContact O-OG 3.18Å; G140-S143 VanDerWaalsContact O-OG 3.05Å; H141-S143 PolarHBondContact O-N 3.17Å; H141-S143 VanDerWaalsContact O-N 3.1Å; S143-V145 VanDerWaalsContact C-N 3.25Å; S143-V145 PolarHBondContact O-N 2.71Å; S143-A146 PolarHBondContact O-N 3.13Å; S143-E147 WeakPolarHBondContact O-CG 3.36Å; S143-E147 PolarHBondContact O-N 2.87Å
144V98.7Very high97.5Very high1 Ų136 Ų361%0.00624%0.236CC..Hα-helixtrans-60.7-37176.677.10000111.9K28 E30 H141 A142 A148 V174 I301K28-V144 HydrophobicContact CD-CG2 4.5Å; K28-V144 HydrophobicContact CG-CG2 3.63Å; E30-V144 HydrophobicContact CG-CG2 4.09Å; H141-V144 WeakPolarHBondContact O-CG1 3.3Å; H141-V144 PolarHBondContact O-N 3.44Å; H141-V144 VanDerWaalsContact O-N 3.12Å; A142-V144 PolarHBondContact O-N 3.31Å; A142-V144 VanDerWaalsContact O-N 3.13Å; V144-A148 WeakPolarHBondContact O-CB 3.4Å; V144-A148 PolarHBondContact O-N 2.94Å; V144-A148 VanDerWaalsContact O-N 3.11Å; V144-V174 HydrophobicContact CG1-CG2 3.91Å; V144-I301 HydrophobicContact CG1-CD1 4.46Å; V144-I301 HydrophobicContact CG2-CD1 4.01Å
145V98.7Very high97Very high1 Ų137.7 Ų37.71%0.00627%0.268CS..Hα-helixtrans-76.8-42.1-179.7-178.90000110.4A142 S143 E147 A148 A149 V174 G177 L178 A181 W183A142-V145 PolarHBondContact O-N 3Å; A142-V145 VanDerWaalsContact O-N 3.1Å; S143-V145 VanDerWaalsContact C-N 3.25Å; S143-V145 PolarHBondContact O-N 2.71Å; V145-E147 VanDerWaalsContact C-N 3.28Å; V145-E147 PolarHBondContact O-N 3.13Å; V145-A148 PolarHBondContact O-N 3.34Å; V145-A148 VanDerWaalsContact O-N 3.16Å; V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 2.67Å; V145-V174 HydrophobicContact CG2-CB 4.4Å; V145-V174 HydrophobicContact CG2-CG1 4.16Å; V145-V174 HydrophobicContact CG2-CG2 4.4Å; V145-G177 WeakPolarHBondContact CG1-O 3.15Å; V145-L178 HydrophobicContact CG1-CD2 3.96Å; V145-L178 HydrophobicContact CG1-CG 4.4Å; V145-L178 HydrophobicContact CG2-CG 4.46Å; V145-A181 HydrophobicContact CG1-CB 4.25Å; V145-W183 HydrophobicContact CG1-CE3 4.17Å; V145-W183 HydrophobicContact CG1-CZ3 4.2Å
146A97.9Very high96.8Very high62 Ų6236 Ų3651%0.51226%0.261SS..Hα-helixtrans-57.7-43.4176.800000111.6S143 A149 A150S143-A146 PolarHBondContact O-N 3.13Å; A146-A149 PolarHBondContact O-N 2.73Å; A146-A150 WeakPolarHBondContact O-CB 3.35Å; A146-A150 PolarHBondContact O-N 3.49Å
147E98.1Very high96.7Very high24 Ų2437.8 Ų37.811%0.11227%0.266CS..Hα-helixtrans-67.9-39.8175.6-71.2174-163.900113H6 N8 K28 R41 S143 V145 A149 A150 A151H6-E147 IonicContact CD2-OE1 3.42Å; H6-E147 PolarHBondContact CD2-OE1 3.44Å; H6-E147 IonicContact NE2-OE1 3.53Å; N8-E147 WeakPolarHBondContact CA-OE2 3.46Å; N8-E147 HydrophobicContact CB-CG 4.36Å; N8-E147 PolarHBondContact OD1-OE2 2.57Å; K28-E147 WeakPolarHBondContact CE-OE2 3.16Å; K28-E147 IonicContact NZ-OE2 2.62Å; K28-E147 PolarHBondContact NZ-OE2 3.49Å; R41-E147 IonicContact CZ-OE1 3.56Å; R41-E147 IonicContact CZ-OE2 3.52Å; R41-E147 IonicContact NH1-OE1 3.31Å; R41-E147 PolarHBondContact NH1-OE1 2.97Å; R41-E147 IonicContact NH1-OE2 3.41Å; R41-E147 PolarHBondContact NH1-OE2 2.96Å; R41-E147 IonicContact NH2-OE1 2.71Å; R41-E147 IonicContact NH2-OE2 3.63Å; R41-E147 PolarHBondContact NH2-OE2 2.88Å; S143-E147 WeakPolarHBondContact O-CG 3.36Å; S143-E147 PolarHBondContact O-N 2.87Å; V145-E147 VanDerWaalsContact C-N 3.28Å; V145-E147 PolarHBondContact O-N 3.13Å; E147-A149 VanDerWaalsContact C-N 3.34Å; E147-A150 PolarHBondContact O-N 2.74Å; E147-A151 WeakPolarHBondContact O-CB 3.44Å; E147-A151 PolarHBondContact O-N 3.3Å
148A98.3Very high96.7Very high0 Ų038 Ų380%027%0.266CS..Hα-helixtrans-63.5-41.2175.700000111.3V144 V145 A151 L152 L299V144-A148 WeakPolarHBondContact O-CB 3.4Å; V144-A148 PolarHBondContact O-N 2.94Å; V144-A148 VanDerWaalsContact O-N 3.11Å; V145-A148 PolarHBondContact O-N 3.34Å; V145-A148 VanDerWaalsContact O-N 3.16Å; A148-A151 PolarHBondContact O-N 3.06Å; A148-L152 WeakPolarHBondContact O-CB 3.19Å; A148-L152 VanDerWaalsContact O-CG 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.27Å; A148-L152 PolarHBondContact O-N 2.98Å; A148-L299 HydrophobicContact CB-CD1 4.19Å; A148-L299 HydrophobicContact CB-CD2 3.73Å
149A97.7Very high96.7Very high23 Ų2336.8 Ų36.819%0.1927%0.265CS..Hα-helixtrans-62.7-44.6174.800000112.4V145 A146 E147 A151 L152 G153 W183V145-A149 WeakPolarHBondContact O-CB 3.25Å; V145-A149 PolarHBondContact O-N 2.67Å; A146-A149 PolarHBondContact O-N 2.73Å; E147-A149 VanDerWaalsContact C-N 3.34Å; A149-A151 VanDerWaalsContact C-N 3.31Å; A149-A151 PolarHBondContact O-N 3.16Å; A149-L152 PolarHBondContact O-N 3.24Å; A149-G153 PolarHBondContact O-N 3.16Å; A149-G153 VanDerWaalsContact O-N 3.09Å; A149-W183 VanDerWaalsContact CA-CH2 3.49Å; A149-W183 HydrophobicContact CB-CH2 3.39Å; A149-W183 HydrophobicContact CB-CZ2 3.66Å; A149-W183 HydrophobicContact CB-CZ3 4.1Å
150A97.2Very high96.7Very high77 Ų7733.4 Ų33.464%0.63625%0.25SC*.Hα-helixtrans-61.3-40.1175.300000112.1A146 E147 G153A146-A150 WeakPolarHBondContact O-CB 3.35Å; A146-A150 PolarHBondContact O-N 3.49Å; E147-A150 PolarHBondContact O-N 2.74Å; A150-G153 PolarHBondContact O-N 3.11Å
151A97.4Very high96.7Very high59 Ų5933.1 Ų33.149%0.48825%0.247SC..Hα-helixtrans-72.9-36.2179.500000113.5L11 E147 A148 A149 G153L11-A151 HydrophobicContact CB-CB 3.9Å; L11-A151 HydrophobicContact CD2-CB 3.72Å; L11-A151 HydrophobicContact CG-CB 4.46Å; E147-A151 WeakPolarHBondContact O-CB 3.44Å; E147-A151 PolarHBondContact O-N 3.3Å; A148-A151 PolarHBondContact O-N 3.06Å; A149-A151 VanDerWaalsContact C-N 3.31Å; A149-A151 PolarHBondContact O-N 3.16Å; A151-G153 VanDerWaalsContact C-N 3.26Å; A151-G153 PolarHBondContact O-N 3.21Å
152L95.8Very high96.7Very high36 Ų3633 Ų3319%0.18825%0.246CC..Hα-helixtrans-68.4-27.6174.1-74.3172000112.4L11 Y26 A148 A149 A156 W183L11-L152 HydrophobicContact CD2-CD2 3.86Å; L11-L152 HydrophobicContact CD2-CG 3.77Å; Y26-L152 HydrophobicContact CD2-CD2 3.69Å; Y26-L152 HydrophobicContact CE2-CD2 3.64Å; Y26-L152 HydrophobicContact CG-CD2 4.26Å; A148-L152 WeakPolarHBondContact O-CB 3.19Å; A148-L152 VanDerWaalsContact O-CG 3.3Å; A148-L152 WeakPolarHBondContact O-CG 3.27Å; A148-L152 PolarHBondContact O-N 2.98Å; A149-L152 PolarHBondContact O-N 3.24Å; L152-A156 HydrophobicContact CB-CB 3.95Å; L152-A156 WeakPolarHBondContact O-CB 3.36Å; L152-W183 HydrophobicContact CD1-CH2 3.99Å
153G93.7Very high96.7Very high21 Ų2132.6 Ų32.622%0.21624%0.243CC..  trans87.6170.2178.300000114A149 A150 A151 G155 A156A149-G153 PolarHBondContact O-N 3.16Å; A149-G153 VanDerWaalsContact O-N 3.09Å; A150-G153 PolarHBondContact O-N 3.11Å; A151-G153 VanDerWaalsContact C-N 3.26Å; A151-G153 PolarHBondContact O-N 3.21Å; G153-G155 PolarHBondContact O-N 3.41Å; G153-A156 PolarHBondContact O-N 2.87Å
154P90.6Very high96.7Very high141 Ų14131.7 Ų31.792%0.91624%0.237SC*.THydrogen-bonded Turntrans-60.3135.5-174.9-22.733.6000112.8A156P154-A156 PolarHBondContact O-N 2.88Å
155G87.6Confident96.7Very high89 Ų8931.7 Ų31.792%0.91824%0.237SC*.THydrogen-bonded Turntrans78.3-9.3177.400000115.2G153G153-G155 PolarHBondContact O-N 3.41Å
156A93.5Very high96.6Very high40 Ų4032.3 Ų32.333%0.33124%0.244SC..  trans-86.6142.9171.300000110.8L152 G153 P154 W183L152-A156 HydrophobicContact CB-CB 3.95Å; L152-A156 WeakPolarHBondContact O-CB 3.36Å; G153-A156 PolarHBondContact O-N 2.87Å; P154-A156 PolarHBondContact O-N 2.88Å; A156-W183 VanDerWaalsContact O-CZ2 3.24Å; A156-W183 WeakPolarHBondContact O-CZ2 3.41Å
157R96.1Very high96.5Very high69 Ų6929.7 Ų29.726%0.2622%0.222SC..  trans-151.8151.5171.373.2176.3-167.6173.46110.5W183 D185R157-W183 HydrophobicContact CB-CD2 3.91Å; R157-W183 VanDerWaalsContact CB-CE2 3.49Å; R157-W183 HydrophobicContact CB-CG 4.25Å; R157-W183 HydrophobicContact CB-CH2 4.37Å; R157-W183 HydrophobicContact CB-CZ2 3.76Å; R157-D185 IonicContact CZ-OD1 3.56Å; R157-D185 IonicContact CZ-OD2 3.52Å; R157-D185 IonicContact NH1-OD1 3.58Å; R157-D185 PolarHBondContact NH1-OD1 3.45Å; R157-D185 IonicContact NH1-OD2 3.4Å; R157-D185 PolarHBondContact NH1-OD2 2.87Å; R157-D185 IonicContact NH2-OD1 3.46Å; R157-D185 IonicContact NH2-OD2 2.77Å; R157-D185 PolarHBondContact NH2-OD2 2.85Å
158P98Very high96.4Very high3 Ų328.6 Ų28.62%0.01922%0.218CC..  trans-70.1158.6176.129.2-33.4000112.3V161 W183 V186 P297 L299P158-V161 HydrophobicContact CG-CG2 4.21Å; P158-W183 HydrophobicContact CG-CE3 4.08Å; P158-W183 HydrophobicContact CG-CZ3 3.92Å; P158-V186 HydrophobicContact CG-CG1 4.17Å; P158-P297 CarbonylContact C-O 3.51Å; P158-P297 WeakPolarHBondContact CA-O 3.19Å; P158-P297 VanDerWaalsContact CB-O 3.26Å; P158-P297 WeakPolarHBondContact CB-O 3.44Å; P158-L299 HydrophobicContact CB-CB 3.83Å; P158-L299 HydrophobicContact CG-CB 4.15Å; P158-L299 HydrophobicContact CG-CD2 4.46Å
159G98.2Very high96.5Very high11 Ų1128.8 Ų28.811%0.11322%0.219CC..SBendtrans-81.9-25.4170.200000113.4P187 P297G159-P187 VanDerWaalsContact O-CD 3.26Å; G159-P187 WeakPolarHBondContact O-CD 3.34Å; G159-P187 WeakPolarHBondContact O-CG 3.34Å; G159-P297 PolarHBondContact N-O 3.49Å
160A98.8Very high96.5Very high0 Ų028.1 Ų28.10%021%0.213CC..EExtended strand (participates in β ladder)trans-159.5159.1172.200000109.6P187 I189 L291 L298 L299A160-P187 CarbonylContact C-O 3.38Å; A160-P187 VanDerWaalsContact CA-O 3.25Å; A160-P187 WeakPolarHBondContact CA-O 3.28Å; A160-P187 HydrophobicContact CB-CG 3.96Å; A160-I189 HydrophobicContact CB-CD1 4.12Å; A160-I189 HydrophobicContact CB-CG1 4.39Å; A160-L291 HydrophobicContact CB-CD2 4.2Å; A160-L298 HydrophobicContact CB-CD1 3.7Å; A160-L299 PolarHBondContact O-N 2.78Å
161V98.9Very high96.6Very high0 Ų024.5 Ų24.50%018%0.182CC..EExtended strand (participates in β ladder)trans-112.1130.2168.1-174.90000109.7P158 V174 L178 V186 P187 V188 I189 L299 I301P158-V161 HydrophobicContact CG-CG2 4.21Å; V161-V174 HydrophobicContact CB-CG1 4.35Å; V161-V174 HydrophobicContact CG1-CG1 3.89Å; V161-L178 HydrophobicContact CG2-CD1 4.13Å; V161-L178 HydrophobicContact CG2-CD2 3.9Å; V161-L178 HydrophobicContact CG2-CG 4.49Å; V161-V186 HydrophobicContact CG2-CG1 4.03Å; V161-P187 PolarHBondContact N-O 2.87Å; V161-V188 CarbonylContact O-C 3.57Å; V161-V188 VanDerWaalsContact O-CA 3.3Å; V161-V188 WeakPolarHBondContact O-CA 3.31Å; V161-I189 PolarHBondContact O-N 2.85Å; V161-L299 CarbonylContact C-O 3.56Å; V161-L299 VanDerWaalsContact CA-O 3.3Å; V161-L299 WeakPolarHBondContact CA-O 3.49Å; V161-L299 HydrophobicContact CG1-CD2 4.39Å; V161-L299 HydrophobicContact CG1-CG 4.44Å; V161-L299 HydrophobicContact CG2-CB 4.31Å; V161-L299 HydrophobicContact CG2-CD2 4.13Å; V161-I301 HydrophobicContact CG1-CD1 4.29Å; V161-I301 HydrophobicContact CG1-CG1 4.01Å
162L98.8Very high96.6Very high0 Ų022 Ų220%016%0.161CC..EExtended strand (participates in β ladder)trans-109.5125.9-179.5175.261.3000109.9I189 M191 A273 A276 I277 L298 L299 V300 I301L162-I189 HydrophobicContact CD1-CB 3.83Å; L162-I189 HydrophobicContact CD1-CG2 3.76Å; L162-M191 HydrophobicContact CD1-CG 3.48Å; L162-M191 VanDerWaalsContact CD1-CG 3.48Å; L162-M191 HydrophobicContact CD1-SD 4.16Å; L162-A273 VanDerWaalsContact CD2-O 3.32Å; L162-A273 WeakPolarHBondContact CD2-O 3.31Å; L162-A273 HydrophobicContact CG-CB 4.49Å; L162-A276 HydrophobicContact CD1-CB 3.57Å; L162-A276 HydrophobicContact CD2-CB 3.77Å; L162-A276 HydrophobicContact CG-CB 4.32Å; L162-I277 HydrophobicContact CD2-CD1 3.9Å; L162-I277 HydrophobicContact CD2-CG1 4.08Å; L162-L298 HydrophobicContact CB-CD1 4.25Å; L162-L298 HydrophobicContact CD2-CD2 4.2Å; L162-L299 PolarHBondContact N-O 2.82Å; L162-V300 HydrophobicContact CB-CG1 4.41Å; L162-V300 HydrophobicContact CB-CG2 4.35Å; L162-V300 HydrophobicContact CD2-CG1 4.01Å; L162-V300 HydrophobicContact CD2-CG2 4Å; L162-V300 HydrophobicContact CG-CG1 4.23Å; L162-I301 PolarHBondContact O-N 3.49Å
163L98.9Very high96.8Very high0 Ų020.2 Ų20.20%015%0.152CC..EExtended strand (participates in β ladder)trans-149.2162.6179.361.185.1000110.8V165 L170 L171 V174 V188 I189 M191 I301L163-V165 HydrophobicContact CD1-CG2 3.67Å; L163-L170 HydrophobicContact CB-CD2 4.03Å; L163-L170 HydrophobicContact CB-CG 4.49Å; L163-L170 HydrophobicContact CD2-CG 4.34Å; L163-L171 HydrophobicContact CD1-CB 4.11Å; L163-L171 HydrophobicContact CD1-CD1 4.4Å; L163-L171 HydrophobicContact CD2-CD1 4.49Å; L163-V174 HydrophobicContact CD2-CB 3.79Å; L163-V174 HydrophobicContact CD2-CG1 3.89Å; L163-V174 HydrophobicContact CD2-CG2 3.74Å; L163-V188 HydrophobicContact CD1-CG1 4.47Å; L163-V188 HydrophobicContact CD2-CG1 3.63Å; L163-V188 HydrophobicContact CG-CG1 3.89Å; L163-I189 PolarHBondContact N-O 3.37Å; L163-I189 VanDerWaalsContact N-O 3.07Å; L163-I189 VanDerWaalsContact O-O 3.12Å; L163-M191 PolarHBondContact O-N 3.41Å; L163-I301 HydrophobicContact CB-CB 4.29Å; L163-I301 HydrophobicContact CB-CG1 4.31Å
164S98.6Very high97Very high8 Ų819.2 Ų19.26%0.05614%0.142CC..EExtended strand (participates in β ladder)trans-97.9154.4169.456.50000112.5M191 A269S164-M191 CarbonylContact C-O 3.44Å; S164-M191 WeakPolarHBondContact CA-O 3.39Å; S164-M191 WeakPolarHBondContact CB-O 3.45Å; S164-A269 WeakPolarHBondContact CB-O 3.45Å; S164-A269 PolarHBondContact OG-O 3.27Å
165V98.6Very high97.4Very high1 Ų113.2 Ų13.21%0.00610%0.102CC..  trans-118.1118.5-177178.80000109.9L163 L171 A190 M191 E192 F199 L221 V226L163-V165 HydrophobicContact CD1-CG2 3.67Å; V165-L171 HydrophobicContact CG2-CB 4.29Å; V165-L171 HydrophobicContact CG2-CD2 4.21Å; V165-A190 HydrophobicContact CG2-CB 3.68Å; V165-M191 PolarHBondContact N-O 3.11Å; V165-E192 HydrophobicContact CB-CG 3.92Å; V165-E192 WeakPolarHBondContact O-CG 3.48Å; V165-F199 HydrophobicContact CB-CD1 4.46Å; V165-F199 HydrophobicContact CG1-CB 3.65Å; V165-F199 HydrophobicContact CG1-CD1 4.13Å; V165-F199 HydrophobicContact CG1-CG 3.99Å; V165-F199 HydrophobicContact CG2-CD1 4.26Å; V165-L221 WeakPolarHBondContact O-CD2 3.47Å; V165-V226 HydrophobicContact CG1-CG2 4.47Å
166G95.9Very high97.9Very high15 Ų1513.4 Ų13.416%0.1558%0.075CC..SBendtrans-94.7-108.2158.600000108.6G168 L221G166-G168 PolarHBondContact O-N 3.12Å; G166-G168 VanDerWaalsContact O-N 3.16Å; G166-L221 WeakPolarHBondContact CA-O 3.25Å
167G94.9Very high98.2Very high6 Ų611.6 Ų11.66%0.0626%0.061CC..SBendtrans-76.48.6172.400000116.2F132 C227F132-G167 WeakPolarHBondContact CD2-O 3.45Å; F132-G167 WeakPolarHBondContact CE2-O 3.42Å; G167-C227 WeakPolarHBondContact O-CB 3.18Å; G167-C227 PolarHBondContact O-N 3.09Å; G167-C227 PolarHBondContact O-SG 3.04Å
168G97.9Very high98.3Very high2 Ų28.5 Ų8.52%0.0215%0.05CC..SBendtrans86.90.6175.200000117.4G166 L170 L171 C172G166-G168 PolarHBondContact O-N 3.12Å; G166-G168 VanDerWaalsContact O-N 3.16Å; G168-L170 PolarHBondContact O-N 3.44Å; G168-L171 WeakPolarHBondContact O-CB 3.37Å; G168-L171 PolarHBondContact O-N 2.95Å; G168-C172 PolarHBondContact O-N 3.22Å; G168-C172 PolarHBondContact O-SG 2.99Å
169G98.4Very high98.3Very high3 Ų314.6 Ų14.63%0.0318%0.076CC..Hα-helixtrans-62.9-39.9-178.700000114.7H141 G173H141-G169 PolarHBondContact CD2-O 3.23Å; G169-G173 PolarHBondContact O-N 2.94Å; G169-G173 VanDerWaalsContact O-N 3.14Å
170L98.8Very high98.3Very high9 Ų919.5 Ų19.55%0.04710%0.099CC..Hα-helixtrans-65.2-46.2174.1179.955000111.2F38 L163 G168 C172 G173 V174 I301F38-L170 HydrophobicContact CD1-CD2 4.36Å; F38-L170 HydrophobicContact CD2-CB 4.28Å; F38-L170 HydrophobicContact CD2-CD1 3.67Å; F38-L170 HydrophobicContact CD2-CD2 4.37Å; F38-L170 HydrophobicContact CD2-CG 4.3Å; F38-L170 HydrophobicContact CE1-CD2 4.15Å; F38-L170 HydrophobicContact CE2-CB 3.55Å; F38-L170 HydrophobicContact CE2-CD1 3.86Å; F38-L170 HydrophobicContact CE2-CD2 4.2Å; F38-L170 HydrophobicContact CE2-CG 4.05Å; F38-L170 HydrophobicContact CG-CD1 4.23Å; F38-L170 HydrophobicContact CG-CD2 4.43Å; F38-L170 HydrophobicContact CZ-CB 3.73Å; F38-L170 HydrophobicContact CZ-CD2 4.06Å; F38-L170 HydrophobicContact CZ-CG 4.31Å; L163-L170 HydrophobicContact CB-CD2 4.03Å; L163-L170 HydrophobicContact CB-CG 4.49Å; L163-L170 HydrophobicContact CD2-CG 4.34Å; G168-L170 PolarHBondContact O-N 3.44Å; L170-C172 PolarHBondContact O-N 2.87Å; L170-G173 PolarHBondContact O-N 2.8Å; L170-V174 HydrophobicContact CD1-CG2 3.85Å; L170-V174 HydrophobicContact CG-CG2 4.29Å; L170-V174 WeakPolarHBondContact O-CB 3.42Å; L170-V174 WeakPolarHBondContact O-CG2 3.33Å; L170-V174 PolarHBondContact O-N 2.85Å; L170-I301 HydrophobicContact CD1-CG2 4.42Å; L170-I301 HydrophobicContact CD2-CG2 4.09Å
171L98.9Very high98.2Very high1 Ų121.3 Ų21.31%0.00511%0.114CC..Hα-helixtrans-56-49.6177.6173.361.7000111.2L163 V165 G168 G173 V174 V175 V188 F199 A230 I241L163-L171 HydrophobicContact CD1-CB 4.11Å; L163-L171 HydrophobicContact CD1-CD1 4.4Å; L163-L171 HydrophobicContact CD2-CD1 4.49Å; V165-L171 HydrophobicContact CG2-CB 4.29Å; V165-L171 HydrophobicContact CG2-CD2 4.21Å; G168-L171 WeakPolarHBondContact O-CB 3.37Å; G168-L171 PolarHBondContact O-N 2.95Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 2.84Å; L171-V174 PolarHBondContact O-N 3.09Å; L171-V175 HydrophobicContact CD1-CG2 3.98Å; L171-V175 WeakPolarHBondContact O-CB 3.26Å; L171-V175 WeakPolarHBondContact O-CG2 3.36Å; L171-V175 PolarHBondContact O-N 3.5Å; L171-V188 HydrophobicContact CD1-CB 4.29Å; L171-V188 HydrophobicContact CD1-CG1 3.65Å; L171-F199 HydrophobicContact CD2-CD1 4.4Å; L171-F199 HydrophobicContact CD2-CE1 3.74Å; L171-F199 HydrophobicContact CD2-CE2 3.95Å; L171-F199 HydrophobicContact CD2-CZ 3.46Å; L171-F199 VanDerWaalsContact CD2-CZ 3.46Å; L171-A230 HydrophobicContact CD2-CB 4.1Å; L171-I241 HydrophobicContact CD1-CD1 4.04Å; L171-I241 HydrophobicContact CD1-CG1 4.31Å; L171-I241 HydrophobicContact CD1-CG2 4.4Å; L171-I241 HydrophobicContact CD2-CD1 4.24Å; L171-I241 HydrophobicContact CG-CD1 4.41Å
172C98.8Very high98.1Very high6 Ų624.1 Ų24.14%0.04114%0.143CC..Hα-helixtrans-59.1-43.2177.7-66.20000112.1W138 G168 L170 R176 C227 A230 L233W138-C172 HydrophobicContact CB-CB 4.05Å; W138-C172 HydrophobicContact CD2-CB 3.71Å; W138-C172 HydrophobicContact CE3-CB 4.36Å; W138-C172 HydrophobicContact CG-CB 3.52Å; G168-C172 PolarHBondContact O-N 3.22Å; G168-C172 PolarHBondContact O-SG 2.99Å; L170-C172 PolarHBondContact O-N 2.87Å; C172-R176 WeakPolarHBondContact O-CB 3.43Å; C172-R176 PolarHBondContact O-N 3Å; C172-C227 VanDerWaalsContact SG-SG 3.69Å; C172-A230 PolarHBondContact SG-N 2.77Å; C172-L233 HydrophobicContact CB-CD1 4.38Å
173G98.8Very high98Very high0 Ų025.2 Ų25.20%015%0.148CC..Hα-helixtrans-66.7-43.3177.800000113.2W138 A142 G169 L170 L171 R176 G177W138-G173 WeakPolarHBondContact O-CA 3.27Å; A142-G173 VanDerWaalsContact CA-O 3.25Å; A142-G173 WeakPolarHBondContact CA-O 3.48Å; A142-G173 WeakPolarHBondContact CB-O 3.08Å; G169-G173 PolarHBondContact O-N 2.94Å; G169-G173 VanDerWaalsContact O-N 3.14Å; L170-G173 PolarHBondContact O-N 2.8Å; L171-G173 VanDerWaalsContact C-N 3.32Å; L171-G173 PolarHBondContact O-N 2.84Å; G173-R176 PolarHBondContact O-N 2.98Å; G173-G177 PolarHBondContact O-N 3.17Å
174V98.9Very high97.9Very high0 Ų027.7 Ų27.70%017%0.168CC..Hα-helixtrans-63.9-46.6177167.10000110.9V144 V145 V161 L163 L170 L171 R176 G177 L178 V188V144-V174 HydrophobicContact CG1-CG2 3.91Å; V145-V174 HydrophobicContact CG2-CB 4.4Å; V145-V174 HydrophobicContact CG2-CG1 4.16Å; V145-V174 HydrophobicContact CG2-CG2 4.4Å; V161-V174 HydrophobicContact CB-CG1 4.35Å; V161-V174 HydrophobicContact CG1-CG1 3.89Å; L163-V174 HydrophobicContact CD2-CB 3.79Å; L163-V174 HydrophobicContact CD2-CG1 3.89Å; L163-V174 HydrophobicContact CD2-CG2 3.74Å; L170-V174 HydrophobicContact CD1-CG2 3.85Å; L170-V174 HydrophobicContact CG-CG2 4.29Å; L170-V174 WeakPolarHBondContact O-CB 3.42Å; L170-V174 WeakPolarHBondContact O-CG2 3.33Å; L170-V174 PolarHBondContact O-N 2.85Å; L171-V174 PolarHBondContact O-N 3.09Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.2Å; V174-G177 PolarHBondContact O-N 2.84Å; V174-G177 VanDerWaalsContact O-N 3.16Å; V174-L178 HydrophobicContact CG1-CD1 3.97Å; V174-L178 HydrophobicContact CG1-CG 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 VanDerWaalsContact O-CG 3.29Å; V174-L178 WeakPolarHBondContact O-CG 3.21Å; V174-L178 PolarHBondContact O-N 3.3Å; V174-V188 HydrophobicContact CG1-CG2 4.32Å
175V98.8Very high97.7Very high14 Ų1431.5 Ų31.59%0.08519%0.188CC..Hα-helixtrans-60.1-42.1177.5170.40000111.3L171 L178 K179 V188 L233 A239 I241L171-V175 HydrophobicContact CD1-CG2 3.98Å; L171-V175 WeakPolarHBondContact O-CB 3.26Å; L171-V175 WeakPolarHBondContact O-CG2 3.36Å; L171-V175 PolarHBondContact O-N 3.5Å; V175-L178 PolarHBondContact O-N 3.41Å; V175-K179 PolarHBondContact O-N 2.83Å; V175-V188 HydrophobicContact CG2-CG2 4.15Å; V175-L233 HydrophobicContact CB-CD1 4.03Å; V175-L233 HydrophobicContact CG1-CD1 4.01Å; V175-L233 HydrophobicContact CG1-CD2 3.77Å; V175-L233 HydrophobicContact CG1-CG 4.46Å; V175-L233 HydrophobicContact CG2-CD1 4.32Å; V175-A239 HydrophobicContact CG1-CB 3.72Å; V175-A239 HydrophobicContact CG2-CB 4.16Å; V175-I241 HydrophobicContact CG2-CD1 4.39Å
176R98.6Very high97.7Very high93 Ų9331.7 Ų31.735%0.35119%0.189SC..Hα-helixtrans-60.1-50.5172.7178.3172176.5177.9-6.6111.6E139 A142 C172 G173 V174 L178 K179 D180E139-R176 VanDerWaalsContact CB-NH1 3.34Å; E139-R176 IonicContact OE1-CZ 3.15Å; E139-R176 IonicContact OE1-NH1 2.68Å; E139-R176 IonicContact OE1-NH2 2.7Å; E139-R176 PolarHBondContact OE1-NH2 3.46Å; A142-R176 HydrophobicContact CB-CB 4.38Å; A142-R176 HydrophobicContact CB-CG 4.24Å; C172-R176 WeakPolarHBondContact O-CB 3.43Å; C172-R176 PolarHBondContact O-N 3Å; G173-R176 PolarHBondContact O-N 2.98Å; V174-R176 VanDerWaalsContact C-N 3.31Å; V174-R176 PolarHBondContact O-N 3.2Å; R176-L178 VanDerWaalsContact C-N 3.29Å; R176-L178 PolarHBondContact O-N 2.95Å; R176-K179 WeakPolarHBondContact O-CB 3.23Å; R176-K179 PolarHBondContact O-N 3.11Å; R176-K179 VanDerWaalsContact O-N 3.13Å; R176-D180 IonicContact NE-OD2 2.68Å; R176-D180 VanDerWaalsContact O-CG 3.26Å; R176-D180 PolarHBondContact O-N 3.21Å
177G98.6Very high97.8Very high3 Ų331.8 Ų31.83%0.03119%0.187CC..Hα-helixtrans-61.6-35.7179.800000113.3V145 G173 V174 D180 A181V145-G177 WeakPolarHBondContact CG1-O 3.15Å; G173-G177 PolarHBondContact O-N 3.17Å; V174-G177 PolarHBondContact O-N 2.84Å; V174-G177 VanDerWaalsContact O-N 3.16Å; G177-D180 PolarHBondContact O-N 3.47Å; G177-A181 WeakPolarHBondContact O-CB 3.21Å; G177-A181 PolarHBondContact O-N 3.33Å
178L98.6Very high98Very high4 Ų431.6 Ų31.62%0.02118%0.184CC..Hα-helixtrans-63.2-46.1173.3-74.3175.7000110.9V145 V161 V174 V175 R176 A181 G182 W183 V186 V188V145-L178 HydrophobicContact CG1-CD2 3.96Å; V145-L178 HydrophobicContact CG1-CG 4.4Å; V145-L178 HydrophobicContact CG2-CG 4.46Å; V161-L178 HydrophobicContact CG2-CD1 4.13Å; V161-L178 HydrophobicContact CG2-CD2 3.9Å; V161-L178 HydrophobicContact CG2-CG 4.49Å; V174-L178 HydrophobicContact CG1-CD1 3.97Å; V174-L178 HydrophobicContact CG1-CG 4.19Å; V174-L178 WeakPolarHBondContact O-CB 3.41Å; V174-L178 VanDerWaalsContact O-CG 3.29Å; V174-L178 WeakPolarHBondContact O-CG 3.21Å; V174-L178 PolarHBondContact O-N 3.3Å; V175-L178 PolarHBondContact O-N 3.41Å; R176-L178 VanDerWaalsContact C-N 3.29Å; R176-L178 PolarHBondContact O-N 2.95Å; L178-A181 PolarHBondContact O-N 3.01Å; L178-G182 PolarHBondContact O-N 3.09Å; L178-W183 HydrophobicContact CB-CB 4.39Å; L178-W183 HydrophobicContact CD2-CB 3.95Å; L178-W183 HydrophobicContact CD2-CE3 3.72Å; L178-W183 CarbonylContact O-C 3.51Å; L178-W183 WeakPolarHBondContact O-CA 3.49Å; L178-W183 WeakPolarHBondContact O-CB 3.43Å; L178-W183 PolarHBondContact O-N 2.82Å; L178-V186 HydrophobicContact CD2-CB 4.28Å; L178-V186 HydrophobicContact CD2-CG1 4.38Å; L178-V188 HydrophobicContact CD1-CG2 3.56Å
179K97.9Very high98.1Very high131 Ų13131.5 Ų31.557%0.5718%0.183SC*.Hα-helixtrans-60.6-45.9175.7-173.4176.6-178173.40111.7V175 R176 A181 G182V175-K179 PolarHBondContact O-N 2.83Å; R176-K179 WeakPolarHBondContact O-CB 3.23Å; R176-K179 PolarHBondContact O-N 3.11Å; R176-K179 VanDerWaalsContact O-N 3.13Å; K179-A181 PolarHBondContact O-N 2.97Å; K179-G182 PolarHBondContact O-N 3.29Å
180D97.3Very high98.1Very high113 Ų11331.3 Ų31.360%0.60418%0.182SC*.Hα-helixtrans-63-31.8179.5-65.1-17.1000112R176 G177 G182R176-D180 IonicContact NE-OD2 2.68Å; R176-D180 VanDerWaalsContact O-CG 3.26Å; R176-D180 PolarHBondContact O-N 3.21Å; G177-D180 PolarHBondContact O-N 3.47Å; D180-G182 VanDerWaalsContact C-N 3.3Å; D180-G182 PolarHBondContact O-N 3.48Å
181A96.8Very high98.1Very high38 Ų3830.9 Ų30.931%0.31418%0.179SC..THydrogen-bonded Turntrans-81.8-0.6174.800000114.3V145 G177 L178 K179 W183V145-A181 HydrophobicContact CG1-CB 4.25Å; G177-A181 WeakPolarHBondContact O-CB 3.21Å; G177-A181 PolarHBondContact O-N 3.33Å; L178-A181 PolarHBondContact O-N 3.01Å; K179-A181 PolarHBondContact O-N 2.97Å; A181-W183 VanDerWaalsContact C-N 3.35Å; A181-W183 HydrophobicContact CB-CD2 3.97Å; A181-W183 HydrophobicContact CB-CE3 4.3Å; A181-W183 HydrophobicContact CB-CG 4.14Å; A181-W183 VanDerWaalsContact O-CD1 3.25Å; A181-W183 PolarHBondContact O-NE1 3.21Å
182G96.6Very high98.1Very high59 Ų5930.9 Ų30.961%0.60818%0.179SC*.THydrogen-bonded Turntrans73.723.7-174.900000114L178 K179 D180L178-G182 PolarHBondContact O-N 3.09Å; K179-G182 PolarHBondContact O-N 3.29Å; D180-G182 VanDerWaalsContact C-N 3.3Å; D180-G182 PolarHBondContact O-N 3.48Å
183W97.4Very high98.1Very high24 Ų2430.6 Ų30.69%0.09118%0.177CC..  trans-11333.1-176.2-60.8-6.2000112.3V145 A149 L152 A156 R157 P158 L178 A181 D185 V186V145-W183 HydrophobicContact CG1-CE3 4.17Å; V145-W183 HydrophobicContact CG1-CZ3 4.2Å; A149-W183 VanDerWaalsContact CA-CH2 3.49Å; A149-W183 HydrophobicContact CB-CH2 3.39Å; A149-W183 HydrophobicContact CB-CZ2 3.66Å; A149-W183 HydrophobicContact CB-CZ3 4.1Å; L152-W183 HydrophobicContact CD1-CH2 3.99Å; A156-W183 VanDerWaalsContact O-CZ2 3.24Å; A156-W183 WeakPolarHBondContact O-CZ2 3.41Å; R157-W183 HydrophobicContact CB-CD2 3.91Å; R157-W183 VanDerWaalsContact CB-CE2 3.49Å; R157-W183 HydrophobicContact CB-CG 4.25Å; R157-W183 HydrophobicContact CB-CH2 4.37Å; R157-W183 HydrophobicContact CB-CZ2 3.76Å; P158-W183 HydrophobicContact CG-CE3 4.08Å; P158-W183 HydrophobicContact CG-CZ3 3.92Å; L178-W183 HydrophobicContact CB-CB 4.39Å; L178-W183 HydrophobicContact CD2-CB 3.95Å; L178-W183 HydrophobicContact CD2-CE3 3.72Å; L178-W183 CarbonylContact O-C 3.51Å; L178-W183 WeakPolarHBondContact O-CA 3.49Å; L178-W183 WeakPolarHBondContact O-CB 3.43Å; L178-W183 PolarHBondContact O-N 2.82Å; A181-W183 VanDerWaalsContact C-N 3.35Å; A181-W183 HydrophobicContact CB-CD2 3.97Å; A181-W183 HydrophobicContact CB-CE3 4.3Å; A181-W183 HydrophobicContact CB-CG 4.14Å; A181-W183 VanDerWaalsContact O-CD1 3.25Å; A181-W183 PolarHBondContact O-NE1 3.21Å; W183-D185 PolarHBondContact O-N 3.41Å; W183-D185 VanDerWaalsContact O-N 3.13Å; W183-V186 HydrophobicContact CB-CB 4.37Å; W183-V186 HydrophobicContact CB-CG2 3.76Å; W183-V186 HydrophobicContact CG-CG2 4.37Å; W183-V186 WeakPolarHBondContact O-CB 3.49Å; W183-V186 PolarHBondContact O-N 3.28Å
184A96.3Very high98.1Very high51 Ų5134.3 Ų34.342%0.42120%0.2SC..THydrogen-bonded Turntrans-61.4-21.2-176.800000113.9
185D95.8Very high98Very high89 Ų8934.7 Ų34.748%0.47620%0.204SC..THydrogen-bonded Turntrans-87.2-4176.465.7-42.4000113.8R157 W183 P187R157-D185 IonicContact CZ-OD1 3.56Å; R157-D185 IonicContact CZ-OD2 3.52Å; R157-D185 IonicContact NH1-OD1 3.58Å; R157-D185 PolarHBondContact NH1-OD1 3.45Å; R157-D185 IonicContact NH1-OD2 3.4Å; R157-D185 PolarHBondContact NH1-OD2 2.87Å; R157-D185 IonicContact NH2-OD1 3.46Å; R157-D185 IonicContact NH2-OD2 2.77Å; R157-D185 PolarHBondContact NH2-OD2 2.85Å; W183-D185 PolarHBondContact O-N 3.41Å; W183-D185 VanDerWaalsContact O-N 3.13Å; D185-P187 WeakPolarHBondContact O-CD 3.19Å
186V98.3Very high97.9Very high5 Ų534 Ų343%0.0320%0.199CC..SBendtrans-75.6119.8176.31750000109.3P158 V161 L178 W183P158-V186 HydrophobicContact CG-CG1 4.17Å; V161-V186 HydrophobicContact CG2-CG1 4.03Å; L178-V186 HydrophobicContact CD2-CB 4.28Å; L178-V186 HydrophobicContact CD2-CG1 4.38Å; W183-V186 HydrophobicContact CB-CB 4.37Å; W183-V186 HydrophobicContact CB-CG2 3.76Å; W183-V186 HydrophobicContact CG-CG2 4.37Å; W183-V186 WeakPolarHBondContact O-CB 3.49Å; W183-V186 PolarHBondContact O-N 3.28Å
187P98.4Very high97.9Very high17 Ų1731 Ų3111%0.1119%0.19CC..  trans-68.8144.2179.527.9-34.7000111.7G159 A160 V161 D185 T240 I242 L291G159-P187 VanDerWaalsContact O-CD 3.26Å; G159-P187 WeakPolarHBondContact O-CD 3.34Å; G159-P187 WeakPolarHBondContact O-CG 3.34Å; A160-P187 CarbonylContact C-O 3.38Å; A160-P187 VanDerWaalsContact CA-O 3.25Å; A160-P187 WeakPolarHBondContact CA-O 3.28Å; A160-P187 HydrophobicContact CB-CG 3.96Å; V161-P187 PolarHBondContact N-O 2.87Å; D185-P187 WeakPolarHBondContact O-CD 3.19Å; P187-T240 CarbonylContact C-O 3.4Å; P187-T240 VanDerWaalsContact CA-O 3.28Å; P187-T240 WeakPolarHBondContact CA-O 3.31Å; P187-T240 HydrophobicContact CB-CG2 3.98Å; P187-I242 HydrophobicContact CB-CD1 4.18Å; P187-L291 HydrophobicContact CB-CD2 4.4Å; P187-L291 HydrophobicContact CG-CD2 3.81Å
188V98.9Very high97.8Very high1 Ų130.8 Ų30.81%0.00619%0.189CC..EExtended strand (participates in β ladder)trans-105.6121.5172.9-177.30000109.4V161 L163 L171 V174 V175 L178 T240 I241 I242V161-V188 CarbonylContact O-C 3.57Å; V161-V188 VanDerWaalsContact O-CA 3.3Å; V161-V188 WeakPolarHBondContact O-CA 3.31Å; L163-V188 HydrophobicContact CD1-CG1 4.47Å; L163-V188 HydrophobicContact CD2-CG1 3.63Å; L163-V188 HydrophobicContact CG-CG1 3.89Å; L171-V188 HydrophobicContact CD1-CB 4.29Å; L171-V188 HydrophobicContact CD1-CG1 3.65Å; V174-V188 HydrophobicContact CG1-CG2 4.32Å; V175-V188 HydrophobicContact CG2-CG2 4.15Å; L178-V188 HydrophobicContact CD1-CG2 3.56Å; V188-T240 PolarHBondContact N-O 3.09Å; V188-I241 HydrophobicContact CB-CG1 4.5Å; V188-I241 CarbonylContact O-C 3.57Å; V188-I241 WeakPolarHBondContact O-CA 3.43Å; V188-I242 PolarHBondContact O-N 3.06Å
189I98.9Very high97.9Very high0 Ų030.6 Ų30.60%019%0.188CC..EExtended strand (participates in β ladder)trans-90.5109.4172.8-52170.7000107.2A160 V161 L162 L163 M191 I242 I282 L285 L291 L298A160-I189 HydrophobicContact CB-CD1 4.12Å; A160-I189 HydrophobicContact CB-CG1 4.39Å; V161-I189 PolarHBondContact O-N 2.85Å; L162-I189 HydrophobicContact CD1-CB 3.83Å; L162-I189 HydrophobicContact CD1-CG2 3.76Å; L163-I189 PolarHBondContact N-O 3.37Å; L163-I189 VanDerWaalsContact N-O 3.07Å; L163-I189 VanDerWaalsContact O-O 3.12Å; I189-M191 HydrophobicContact CG2-CG 4.42Å; I189-M191 HydrophobicContact CG2-SD 3.65Å; I189-I242 WeakPolarHBondContact CA-O 3.15Å; I189-I282 HydrophobicContact CD1-CD1 3.47Å; I189-I282 VanDerWaalsContact CD1-CD1 3.47Å; I189-L285 HydrophobicContact CD1-CD1 4.2Å; I189-L285 HydrophobicContact CG2-CD1 4.44Å; I189-L291 HydrophobicContact CD1-CD1 3.86Å; I189-L298 HydrophobicContact CD1-CD1 4.37Å
190A98.8Very high97.9Very high0 Ų024.9 Ų24.90%016%0.163CC..EExtended strand (participates in β ladder)trans-101107.2-174.800000109.7V165 F199 I241 I242 S243 E244V165-A190 HydrophobicContact CG2-CB 3.68Å; A190-F199 HydrophobicContact CB-CD1 4.16Å; A190-F199 HydrophobicContact CB-CE1 3.72Å; A190-I241 HydrophobicContact CB-CG2 3.86Å; A190-I242 PolarHBondContact N-O 3.31Å; A190-S243 WeakPolarHBondContact O-CA 3.21Å; A190-E244 PolarHBondContact O-N 2.94Å
191M98.9Very high97.9Very high0 Ų020.5 Ų20.50%014%0.143CC..EExtended strand (participates in β ladder)trans-97.9134.7-174.9-58.5-54.2-65.400112.4L162 L163 S164 V165 I189 E244 V246 A272 A276 L281L162-M191 HydrophobicContact CD1-CG 3.48Å; L162-M191 VanDerWaalsContact CD1-CG 3.48Å; L162-M191 HydrophobicContact CD1-SD 4.16Å; L163-M191 PolarHBondContact O-N 3.41Å; S164-M191 CarbonylContact C-O 3.44Å; S164-M191 WeakPolarHBondContact CA-O 3.39Å; S164-M191 WeakPolarHBondContact CB-O 3.45Å; V165-M191 PolarHBondContact N-O 3.11Å; I189-M191 HydrophobicContact CG2-CG 4.42Å; I189-M191 HydrophobicContact CG2-SD 3.65Å; M191-E244 WeakPolarHBondContact CA-O 3.47Å; M191-E244 HydrophobicContact CE-CB 3.97Å; M191-E244 HydrophobicContact SD-CB 3.67Å; M191-V246 HydrophobicContact CE-CG1 3.62Å; M191-A272 WeakPolarHBondContact CB-O 3.26Å; M191-A276 HydrophobicContact CE-CB 3.97Å; M191-A276 HydrophobicContact CG-CB 4.21Å; M191-A276 HydrophobicContact SD-CB 3.87Å; M191-L281 HydrophobicContact CE-CD2 3.54Å; M191-L281 HydrophobicContact SD-CD2 3.8Å
192E98.8Very high98Very high0 Ų018.7 Ų18.70%013%0.128CC..EExtended strand (participates in β ladder)trans-130.6161.6169.8-69.4171.4115.300110.3V165 D197 C198 F199 N200 E244 L245 V246V165-E192 HydrophobicContact CB-CG 3.92Å; V165-E192 WeakPolarHBondContact O-CG 3.48Å; E192-D197 HydrophobicContact CB-CB 4.09Å; E192-D197 VanDerWaalsContact OE1-C 3.25Å; E192-D197 WeakPolarHBondContact OE1-CA 3.34Å; E192-C198 PolarHBondContact OE1-N 3.13Å; E192-C198 VanDerWaalsContact OE1-N 3.12Å; E192-F199 VanDerWaalsContact OE1-CB 3.29Å; E192-F199 WeakPolarHBondContact OE1-CB 3.4Å; E192-F199 PolarHBondContact OE1-N 2.92Å; E192-F199 WeakPolarHBondContact OE2-CB 3.43Å; E192-N200 WeakPolarHBondContact OE2-CB 3.35Å; E192-N200 PolarHBondContact OE2-N 2.83Å; E192-E244 PolarHBondContact N-O 2.76Å; E192-E244 VanDerWaalsContact N-O 3.15Å; E192-L245 HydrophobicContact CB-CD2 3.66Å; E192-L245 WeakPolarHBondContact O-CA 3.46Å; E192-V246 PolarHBondContact O-N 2.86Å
193T98.7Very high98.1Very high0 Ų018 Ų180%011%0.11CC..EExtended strand (participates in β ladder)trans-91.8143.4166.345.30000110.6G195 A196 D197 S216 A218 L221 V246 D248 A251 A272T193-G195 PolarHBondContact O-N 2.87Å; T193-A196 CarbonylContact O-C 3.56Å; T193-A196 PolarHBondContact O-N 3.38Å; T193-D197 PolarHBondContact O-N 3.15Å; T193-S216 WeakPolarHBondContact CB-OG 3.43Å; T193-S216 WeakPolarHBondContact OG1-CB 3.39Å; T193-S216 PolarHBondContact OG1-OG 3.37Å; T193-A218 HydrophobicContact CG2-CB 3.93Å; T193-A218 WeakPolarHBondContact OG1-CB 3.42Å; T193-L221 HydrophobicContact CG2-CD1 4.29Å; T193-V246 CarbonylContact C-O 3.57Å; T193-V246 WeakPolarHBondContact CA-O 3.36Å; T193-V246 HydrophobicContact CG2-CG2 4.22Å; T193-D248 WeakPolarHBondContact CB-OD1 3.24Å; T193-D248 WeakPolarHBondContact CG2-OD1 3.42Å; T193-A251 HydrophobicContact CG2-CB 3.84Å; T193-A272 HydrophobicContact CG2-CB 4.01Å
194V98.5Very high98.1Very high78 Ų7824.3 Ų24.347%0.47314%0.138SC..THydrogen-bonded Turntrans-56.4123.4169.5178.10000109S216 L245 V246V194-S216 WeakPolarHBondContact O-CB 3.5Å; V194-L245 HydrophobicContact CG2-CB 4.15Å; V194-L245 HydrophobicContact CG2-CD1 4.3Å; V194-V246 PolarHBondContact N-O 2.91Å
195G96.9Very high98.2Very high8 Ų824.4 Ų24.48%0.08214%0.139CC..THydrogen-bonded Turntrans97.2-1-174.700000114.7T193 D197 I214 T215 S216T193-G195 PolarHBondContact O-N 2.87Å; G195-D197 PolarHBondContact N-OD1 2.99Å; G195-I214 CarbonylContact O-C 3.48Å; G195-I214 WeakPolarHBondContact O-CA 3.19Å; G195-T215 WeakPolarHBondContact CA-OG1 3.32Å; G195-T215 PolarHBondContact O-N 3.48Å; G195-S216 PolarHBondContact O-N 3.2Å
196A97.2Very high98.3Very high0 Ų022.2 Ų22.20%014%0.137CC..SBendtrans-141.736.4166.900000110.7T193 I214 L221T193-A196 CarbonylContact O-C 3.56Å; T193-A196 PolarHBondContact O-N 3.38Å; A196-I214 HydrophobicContact CB-CG2 4.19Å; A196-L221 HydrophobicContact CB-CB 3.87Å
197D98.2Very high98.3Very high29 Ų2928.1 Ų28.116%0.15516%0.164CC..  trans-102.943.9-167.153.6-54.2000113.9E192 T193 G195 F199 N200 A201 L245E192-D197 HydrophobicContact CB-CB 4.09Å; E192-D197 VanDerWaalsContact OE1-C 3.25Å; E192-D197 WeakPolarHBondContact OE1-CA 3.34Å; T193-D197 PolarHBondContact O-N 3.15Å; G195-D197 PolarHBondContact N-OD1 2.99Å; D197-F199 VanDerWaalsContact C-N 3.27Å; D197-F199 PolarHBondContact O-N 3.48Å; D197-N200 HydrophobicContact CB-CB 4.28Å; D197-N200 PolarHBondContact O-N 3.36Å; D197-A201 WeakPolarHBondContact O-CB 3.3Å; D197-A201 PolarHBondContact O-N 3.49Å; D197-L245 HydrophobicContact CB-CD1 4.16Å; D197-L245 HydrophobicContact CB-CD2 3.51Å
198C97.9Very high98.3Very high0 Ų029.8 Ų29.80%017%0.172CC..Hα-helixtrans-62.6-31.2-174.570.40000113.4E192 A202 L211 A223 K224 V226E192-C198 PolarHBondContact OE1-N 3.13Å; E192-C198 VanDerWaalsContact OE1-N 3.12Å; C198-A202 WeakPolarHBondContact O-CB 3.29Å; C198-A202 PolarHBondContact O-N 3.48Å; C198-A202 VanDerWaalsContact O-N 3.1Å; C198-L211 HydrophobicContact CB-CD1 3.96Å; C198-L211 HydrophobicContact CB-CG 4.1Å; C198-A223 VanDerWaalsContact CB-O 3.27Å; C198-A223 WeakPolarHBondContact CB-O 3.49Å; C198-A223 PolarHBondContact SG-O 2.87Å; C198-K224 WeakPolarHBondContact CB-O 3.16Å; C198-V226 PolarHBondContact SG-N 3.41Å
199F98.6Very high98.2Very high0 Ų031.9 Ų31.90%019%0.185CC..Hα-helixtrans-75.8-43.9178.8175.6-119.3000111.5V165 L171 A190 E192 D197 A201 A202 I203 V226 A230 I241V165-F199 HydrophobicContact CB-CD1 4.46Å; V165-F199 HydrophobicContact CG1-CB 3.65Å; V165-F199 HydrophobicContact CG1-CD1 4.13Å; V165-F199 HydrophobicContact CG1-CG 3.99Å; V165-F199 HydrophobicContact CG2-CD1 4.26Å; L171-F199 HydrophobicContact CD2-CD1 4.4Å; L171-F199 HydrophobicContact CD2-CE1 3.74Å; L171-F199 HydrophobicContact CD2-CE2 3.95Å; L171-F199 HydrophobicContact CD2-CZ 3.46Å; L171-F199 VanDerWaalsContact CD2-CZ 3.46Å; A190-F199 HydrophobicContact CB-CD1 4.16Å; A190-F199 HydrophobicContact CB-CE1 3.72Å; E192-F199 VanDerWaalsContact OE1-CB 3.29Å; E192-F199 WeakPolarHBondContact OE1-CB 3.4Å; E192-F199 PolarHBondContact OE1-N 2.92Å; E192-F199 WeakPolarHBondContact OE2-CB 3.43Å; D197-F199 VanDerWaalsContact C-N 3.27Å; D197-F199 PolarHBondContact O-N 3.48Å; F199-A201 VanDerWaalsContact C-N 3.34Å; F199-A202 PolarHBondContact O-N 2.9Å; F199-I203 HydrophobicContact CD1-CD1 3.93Å; F199-I203 HydrophobicContact CD2-CD1 4.17Å; F199-I203 HydrophobicContact CD2-CG1 4.44Å; F199-I203 HydrophobicContact CE1-CD1 3.46Å; F199-I203 VanDerWaalsContact CE1-CD1 3.46Å; F199-I203 HydrophobicContact CE2-CD1 3.73Å; F199-I203 HydrophobicContact CE2-CG1 4.13Å; F199-I203 HydrophobicContact CG-CD1 4.28Å; F199-I203 HydrophobicContact CZ-CD1 3.37Å; F199-I203 HydrophobicContact CZ-CG1 4.25Å; F199-I203 WeakPolarHBondContact O-CG1 3.41Å; F199-I203 PolarHBondContact O-N 2.77Å; F199-V226 HydrophobicContact CB-CB 4.14Å; F199-V226 HydrophobicContact CB-CG2 3.88Å; F199-V226 HydrophobicContact CD2-CB 4.42Å; F199-V226 HydrophobicContact CD2-CG1 4.23Å; F199-V226 HydrophobicContact CD2-CG2 3.85Å; F199-V226 HydrophobicContact CG-CG2 4.24Å; F199-A230 HydrophobicContact CD2-CB 4.45Å; F199-A230 HydrophobicContact CE2-CB 4.3Å; F199-A230 WeakPolarHBondContact CE2-O 3.13Å; F199-I241 HydrophobicContact CE1-CG2 3.77Å; F199-I241 HydrophobicContact CZ-CD1 4.5Å; F199-I241 HydrophobicContact CZ-CG2 3.8Å
200N98.7Very high98.1Very high11 Ų1136 Ų366%0.05921%0.21CC..Hα-helixtrans-61-43173.4-169.9-96000112E192 D197 A202 I203 K204 S243 L245E192-N200 WeakPolarHBondContact OE2-CB 3.35Å; E192-N200 PolarHBondContact OE2-N 2.83Å; D197-N200 HydrophobicContact CB-CB 4.28Å; D197-N200 PolarHBondContact O-N 3.36Å; N200-A202 PolarHBondContact O-N 2.96Å; N200-I203 PolarHBondContact O-N 3.3Å; N200-K204 WeakPolarHBondContact O-CB 3.44Å; N200-K204 WeakPolarHBondContact O-CG 3.41Å; N200-K204 PolarHBondContact O-N 2.94Å; N200-K204 WeakPolarHBondContact OD1-CD 3.5Å; N200-K204 WeakPolarHBondContact OD1-CE 3.31Å; N200-K204 PolarHBondContact OD1-NZ 2.83Å; N200-S243 WeakPolarHBondContact CB-OG 3.5Å; N200-S243 PolarHBondContact ND2-OG 3.04Å; N200-L245 HydrophobicContact CB-CD1 4.38Å; N200-L245 HydrophobicContact CB-CD2 3.7Å; N200-L245 HydrophobicContact CB-CG 4.25Å
201A98.5Very high97.9Very high21 Ų2137.3 Ų37.317%0.17422%0.217CC..Hα-helixtrans-58.5-46.3175.200000111.5D197 F199 K204 A205 L211D197-A201 WeakPolarHBondContact O-CB 3.3Å; D197-A201 PolarHBondContact O-N 3.49Å; F199-A201 VanDerWaalsContact C-N 3.34Å; A201-K204 PolarHBondContact O-N 3.41Å; A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 3.41Å; A201-L211 HydrophobicContact CB-CD2 4.1Å
202A98.6Very high97.7Very high0 Ų045 Ų450%026%0.258CS..Hα-helixtrans-63.2-42.617700000112.7C198 F199 N200 A205 G206 E207 V226 F231C198-A202 WeakPolarHBondContact O-CB 3.29Å; C198-A202 PolarHBondContact O-N 3.48Å; C198-A202 VanDerWaalsContact O-N 3.1Å; F199-A202 PolarHBondContact O-N 2.9Å; N200-A202 PolarHBondContact O-N 2.96Å; A202-A205 PolarHBondContact O-N 2.93Å; A202-G206 PolarHBondContact O-N 2.58Å; A202-E207 CarbonylContact C-O 3.5Å; A202-E207 WeakPolarHBondContact CA-O 3.38Å; A202-E207 WeakPolarHBondContact CB-O 3.4Å; A202-E207 PolarHBondContact O-N 3.42Å; A202-E207 VanDerWaalsContact O-O 3.11Å; A202-V226 HydrophobicContact CB-CG1 4.02Å; A202-F231 HydrophobicContact CB-CD2 3.95Å; A202-F231 WeakPolarHBondContact O-CE2 3.39Å
203I98.1Very high97.4Very high45 Ų4550 Ų5023%0.23129%0.285CS..Hα-helixtrans-60.7-47.2175.9-74168.9000111.3F199 N200 A205 G206 S234F199-I203 HydrophobicContact CD1-CD1 3.93Å; F199-I203 HydrophobicContact CD2-CD1 4.17Å; F199-I203 HydrophobicContact CD2-CG1 4.44Å; F199-I203 HydrophobicContact CE1-CD1 3.46Å; F199-I203 VanDerWaalsContact CE1-CD1 3.46Å; F199-I203 HydrophobicContact CE2-CD1 3.73Å; F199-I203 HydrophobicContact CE2-CG1 4.13Å; F199-I203 HydrophobicContact CG-CD1 4.28Å; F199-I203 HydrophobicContact CZ-CD1 3.37Å; F199-I203 HydrophobicContact CZ-CG1 4.25Å; F199-I203 WeakPolarHBondContact O-CG1 3.41Å; F199-I203 PolarHBondContact O-N 2.77Å; N200-I203 PolarHBondContact O-N 3.3Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 2.75Å; I203-G206 PolarHBondContact O-N 2.71Å; I203-S234 WeakPolarHBondContact CG1-OG 3.22Å
204K98Very high97.1Very high155 Ų15551.1 Ų51.167%0.67429%0.29SS*.Hα-helixtrans-64.7-37-179.3-77.5174.3173.9160.30112.3N200 A201N200-K204 WeakPolarHBondContact O-CB 3.44Å; N200-K204 WeakPolarHBondContact O-CG 3.41Å; N200-K204 PolarHBondContact O-N 2.94Å; N200-K204 WeakPolarHBondContact OD1-CD 3.5Å; N200-K204 WeakPolarHBondContact OD1-CE 3.31Å; N200-K204 PolarHBondContact OD1-NZ 2.83Å; A201-K204 PolarHBondContact O-N 3.41Å
205A98Very high97Very high54 Ų5452.1 Ų52.145%0.44630%0.297SS..Hα-helixtrans-76.6-23.4178.200000113.1A201 A202 I203 E207 V209A201-A205 WeakPolarHBondContact O-CB 3.33Å; A201-A205 PolarHBondContact O-N 3.41Å; A202-A205 PolarHBondContact O-N 2.93Å; I203-A205 VanDerWaalsContact C-N 3.32Å; I203-A205 PolarHBondContact O-N 2.75Å; A205-E207 HydrophobicContact CB-CG 4.27Å; A205-E207 PolarHBondContact O-N 2.98Å; A205-V209 HydrophobicContact CB-CG2 3.5Å; A205-V209 VanDerWaalsContact CB-CG2 3.5Å
206G97.9Very high96.9Very high43 Ų4351.8 Ų51.844%0.44329%0.293SS..THydrogen-bonded Turntrans72.615.8-172.300000113.4A202 I203 F231A202-G206 PolarHBondContact O-N 2.58Å; I203-G206 PolarHBondContact O-N 2.71Å; G206-F231 VanDerWaalsContact C-CZ 3.42Å; G206-F231 VanDerWaalsContact O-CZ 3.32Å; G206-F231 WeakPolarHBondContact O-CZ 3.43Å
207E98.3Very high96.8Very high128 Ų12853.6 Ų53.660%0.59830%0.302SS*.SBendtrans-154.5168.4175.464.4-178.8166.200111.1A202 A205 V209 F231A202-E207 CarbonylContact C-O 3.5Å; A202-E207 WeakPolarHBondContact CA-O 3.38Å; A202-E207 WeakPolarHBondContact CB-O 3.4Å; A202-E207 PolarHBondContact O-N 3.42Å; A202-E207 VanDerWaalsContact O-O 3.11Å; A205-E207 HydrophobicContact CB-CG 4.27Å; A205-E207 PolarHBondContact O-N 2.98Å; E207-V209 PolarHBondContact O-N 3.38Å; E207-F231 VanDerWaalsContact CA-CZ 3.49Å
208L98.1Very high96.6Very high53 Ų5352.3 Ų52.328%0.27730%0.295SS..  trans-67.2124.5175.3-72174.7000110.4T225 V226 R228 F231L208-T225 HydrophobicContact CB-CG2 4.5Å; L208-V226 HydrophobicContact CD2-CG1 3.73Å; L208-R228 HydrophobicContact CD1-CB 4.08Å; L208-R228 HydrophobicContact CD1-CG 4.37Å; L208-F231 HydrophobicContact CD2-CB 3.64Å; L208-F231 HydrophobicContact CD2-CD1 4.31Å; L208-F231 HydrophobicContact CD2-CG 3.99Å; L208-F231 HydrophobicContact CG-CB 4.48Å; L208-F231 HydrophobicContact CG-CD1 4.28Å; L208-F231 HydrophobicContact CG-CG 4.41Å
209V96.8Very high96.2Very high44 Ų4458 Ų5827%0.26732%0.32SS..  trans-115.9143.61771770000109.7A205 E207A205-V209 HydrophobicContact CB-CG2 3.5Å; A205-V209 VanDerWaalsContact CB-CG2 3.5Å; E207-V209 PolarHBondContact O-N 3.38Å
210T97.5Very high95.7Very high86 Ų8660.2 Ų60.253%0.52834%0.335SS..  trans-105.4119.8171.4-57.30000108.7K224 T225T210-K224 CarbonylContact C-O 3.49Å; T210-K224 WeakPolarHBondContact CA-O 3.48Å; T210-K224 HydrophobicContact CG2-CB 3.92Å; T210-T225 WeakPolarHBondContact CB-OG1 3.37Å; T210-T225 WeakPolarHBondContact CG2-OG1 3.42Å; T210-T225 PolarHBondContact OG1-OG1 3.44Å
211L94.7Very high95.4Very high28 Ų2859.9 Ų59.915%0.14733%0.333CS..  trans-65138172.4-59179.5000110.3C198 A201 D213 I214 K224C198-L211 HydrophobicContact CB-CD1 3.96Å; C198-L211 HydrophobicContact CB-CG 4.1Å; A201-L211 HydrophobicContact CB-CD2 4.1Å; L211-D213 VanDerWaalsContact C-N 3.31Å; L211-D213 PolarHBondContact O-N 2.98Å; L211-I214 HydrophobicContact CD1-CD1 4.02Å; L211-K224 HydrophobicContact CB-CB 4.5Å; L211-K224 PolarHBondContact N-O 3.41Å; L211-K224 WeakPolarHBondContact O-CD 3.36Å
212D93.8Very high95Very high161 Ų16160.2 Ų60.286%0.86134%0.338SS*.SBendtrans-60.5-43.2177.7-68.8-31.8000111.4K224D212-K224 PolarHBondContact O-NZ 3.47Å
213D92.8Very high94.7Very high106 Ų10661 Ų6157%0.56735%0.345SS*.  trans-150.5164.2177.3-15915000113L211L211-D213 VanDerWaalsContact C-N 3.31Å; L211-D213 PolarHBondContact O-N 2.98Å
214I92.2Very high94.5Very high23 Ų2362.5 Ų62.512%0.11835%0.349CS..  trans-101.597.6175-55.4-56.9000109.7G195 A196 L211 K219 K224G195-I214 CarbonylContact O-C 3.48Å; G195-I214 WeakPolarHBondContact O-CA 3.19Å; A196-I214 HydrophobicContact CB-CG2 4.19Å; L211-I214 HydrophobicContact CD1-CD1 4.02Å; I214-K219 PolarHBondContact O-NZ 3.02Å; I214-K224 HydrophobicContact CD1-CG 3.91Å; I214-K224 HydrophobicContact CG1-CG 4.08Å
215T95.8Very high94.4Very high99 Ų9957.3 Ų57.361%0.60733%0.331SS*.  trans-88.3-21.8-177.857.40000113.2G195G195-T215 WeakPolarHBondContact CA-OG1 3.32Å; G195-T215 PolarHBondContact O-N 3.48Å
216S96.1Very high94.4Very high1 Ų155 Ų551%0.00731%0.311CS..SBendtrans-67.1146.1177.3169.30000112.4T193 V194 G195 A218 K219 D248T193-S216 WeakPolarHBondContact CB-OG 3.43Å; T193-S216 WeakPolarHBondContact OG1-CB 3.39Å; T193-S216 PolarHBondContact OG1-OG 3.37Å; V194-S216 WeakPolarHBondContact O-CB 3.5Å; G195-S216 PolarHBondContact O-N 3.2Å; S216-A218 VanDerWaalsContact C-N 3.26Å; S216-A218 PolarHBondContact O-N 3.14Å; S216-A218 WeakPolarHBondContact OG-CB 3.48Å; S216-A218 PolarHBondContact OG-N 2.72Å; S216-K219 WeakPolarHBondContact O-CD 3.43Å; S216-K219 VanDerWaalsContact O-CE 3.28Å; S216-K219 WeakPolarHBondContact O-CE 3.31Å; S216-K219 PolarHBondContact O-NZ 2.93Å; S216-D248 VanDerWaalsContact CA-OD2 3.25Å; S216-D248 WeakPolarHBondContact CA-OD2 3.12Å; S216-D248 PolarHBondContact OG-OD1 2.95Å; S216-D248 PolarHBondContact OG-OD2 3.42Å
217E94.9Very high94.4Very high39 Ų3953 Ų5318%0.18229%0.291CS..SBendtrans-73.1-15.2170.4-64.5-54.7122.100113.2K219 D248 L316 K319 L320E217-K219 PolarHBondContact O-N 3.04Å; E217-D248 PolarHBondContact N-OD2 3.44Å; E217-L316 HydrophobicContact CB-CD2 3.76Å; E217-L316 HydrophobicContact CG-CD2 4.11Å; E217-K319 VanDerWaalsContact CD-CE 3.47Å; E217-K319 HydrophobicContact CG-CD 4.42Å; E217-K319 WeakPolarHBondContact OE1-CE 3.43Å; E217-K319 IonicContact OE1-NZ 2.84Å; E217-K319 PolarHBondContact OE1-NZ 3.21Å; E217-K319 IonicContact OE2-NZ 2.65Å; E217-K319 PolarHBondContact OE2-NZ 3.03Å; E217-L320 HydrophobicContact CG-CD2 4.07Å
218A93.6Very high94.4Very high1 Ų154.2 Ų54.21%0.00829%0.29CS..  trans-75.762.6173.400000111.9T193 S216 C220 L221 M268T193-A218 HydrophobicContact CG2-CB 3.93Å; T193-A218 WeakPolarHBondContact OG1-CB 3.42Å; S216-A218 VanDerWaalsContact C-N 3.26Å; S216-A218 PolarHBondContact O-N 3.14Å; S216-A218 WeakPolarHBondContact OG-CB 3.48Å; S216-A218 PolarHBondContact OG-N 2.72Å; A218-C220 PolarHBondContact O-N 3.5Å; A218-L221 HydrophobicContact CB-CD1 3.93Å; A218-L221 HydrophobicContact CB-CG 4.12Å; A218-L221 WeakPolarHBondContact O-CB 3.48Å; A218-L221 PolarHBondContact O-N 3.35Å; A218-M268 HydrophobicContact CB-CB 3.7Å
219K89.1Confident94.4Very high119 Ų11955.1 Ų55.152%0.51729%0.289SS..G310 helixtrans-55.2-26-172.4-58.6-54.5-179.6-164.60114.7I214 S216 E217 L221 G222I214-K219 PolarHBondContact O-NZ 3.02Å; S216-K219 WeakPolarHBondContact O-CD 3.43Å; S216-K219 VanDerWaalsContact O-CE 3.28Å; S216-K219 WeakPolarHBondContact O-CE 3.31Å; S216-K219 PolarHBondContact O-NZ 2.93Å; E217-K219 PolarHBondContact O-N 3.04Å; K219-L221 PolarHBondContact O-N 3.11Å; K219-G222 PolarHBondContact O-N 3.16Å
220C87.8Confident94.4Very high48 Ų4853 Ų5332%0.32428%0.277SS..G310 helixtrans-69.1-17.6174.3-86.20000114.9N64 A218 E267 A269N64-C220 PolarHBondContact ND2-SG 3.42Å; A218-C220 PolarHBondContact O-N 3.5Å; C220-E267 PolarHBondContact SG-OE2 2.84Å; C220-A269 HydrophobicContact CB-CB 3.68Å
221L93.7Very high94.5Very high4 Ų450.2 Ų50.22%0.02126%0.257CS..G310 helixtrans-87.6-11.7170.1-54.4-177.1000112.2V165 G166 T193 A196 A218 K219 A223 A269 A272V165-L221 WeakPolarHBondContact O-CD2 3.47Å; G166-L221 WeakPolarHBondContact CA-O 3.25Å; T193-L221 HydrophobicContact CG2-CD1 4.29Å; A196-L221 HydrophobicContact CB-CB 3.87Å; A218-L221 HydrophobicContact CB-CD1 3.93Å; A218-L221 HydrophobicContact CB-CG 4.12Å; A218-L221 WeakPolarHBondContact O-CB 3.48Å; A218-L221 PolarHBondContact O-N 3.35Å; K219-L221 PolarHBondContact O-N 3.11Å; L221-A223 PolarHBondContact O-N 3.08Å; L221-A269 HydrophobicContact CD1-CB 4.44Å; L221-A269 HydrophobicContact CD2-CB 3.55Å; L221-A269 HydrophobicContact CG-CB 3.7Å; L221-A272 HydrophobicContact CD1-CB 3.87Å
222G90.1Very high94.7Very high27 Ų2752.5 Ų52.528%0.27827%0.267SS..  trans-71.244.1-168.500000117.2K219K219-G222 PolarHBondContact O-N 3.16Å
223A91.2Very high94.9Very high16 Ų1644.9 Ų44.913%0.13223%0.227CC..  trans-73.2130.9159.600000108.2F132 C198 L221 T225F132-A223 HydrophobicContact CE1-CB 4.11Å; F132-A223 HydrophobicContact CZ-CB 4.22Å; C198-A223 VanDerWaalsContact CB-O 3.27Å; C198-A223 WeakPolarHBondContact CB-O 3.49Å; C198-A223 PolarHBondContact SG-O 2.87Å; L221-A223 PolarHBondContact O-N 3.08Å; A223-T225 VanDerWaalsContact C-N 3.31Å
224K94.6Very high95Very high77 Ų7741.2 Ų41.234%0.33521%0.209SC..SBendtrans-72.7-28.8176.2-70.5-173.8169.9-162.30112.4C198 T210 L211 D212 I214C198-K224 WeakPolarHBondContact CB-O 3.16Å; T210-K224 CarbonylContact C-O 3.49Å; T210-K224 WeakPolarHBondContact CA-O 3.48Å; T210-K224 HydrophobicContact CG2-CB 3.92Å; L211-K224 HydrophobicContact CB-CB 4.5Å; L211-K224 PolarHBondContact N-O 3.41Å; L211-K224 WeakPolarHBondContact O-CD 3.36Å; D212-K224 PolarHBondContact O-NZ 3.47Å; I214-K224 HydrophobicContact CD1-CG 3.91Å; I214-K224 HydrophobicContact CG1-CG 4.08Å
225T96.4Very high95.2Very high47 Ų4744.9 Ų44.929%0.28823%0.225SC..SBendtrans-133.1129.8179.7-42.90000108L208 T210 A223L208-T225 HydrophobicContact CB-CG2 4.5Å; T210-T225 WeakPolarHBondContact CB-OG1 3.37Å; T210-T225 WeakPolarHBondContact CG2-OG1 3.42Å; T210-T225 PolarHBondContact OG1-OG1 3.44Å; A223-T225 VanDerWaalsContact C-N 3.31Å
226V97.4Very high95.1Very high4 Ų443 Ų432%0.02422%0.216CC..  trans-69153.1173.572.10000110.4V165 C198 F199 A202 L208 A230 F231V165-V226 HydrophobicContact CG1-CG2 4.47Å; C198-V226 PolarHBondContact SG-N 3.41Å; F199-V226 HydrophobicContact CB-CB 4.14Å; F199-V226 HydrophobicContact CB-CG2 3.88Å; F199-V226 HydrophobicContact CD2-CB 4.42Å; F199-V226 HydrophobicContact CD2-CG1 4.23Å; F199-V226 HydrophobicContact CD2-CG2 3.85Å; F199-V226 HydrophobicContact CG-CG2 4.24Å; A202-V226 HydrophobicContact CB-CG1 4.02Å; L208-V226 HydrophobicContact CD2-CG1 3.73Å; V226-A230 HydrophobicContact CG2-CB 3.69Å; V226-F231 HydrophobicContact CG1-CB 4.26Å
227C97.3Very high94.9Very high2 Ų246.2 Ų46.21%0.01425%0.25CC..  trans-61.7146.9172.472.10000111.7F132 D133 G167 C172 R229 A230 F231F132-C227 HydrophobicContact CD2-CB 4.03Å; F132-C227 HydrophobicContact CE2-CB 4Å; D133-C227 HydrophobicContact CB-CB 3.89Å; D133-C227 VanDerWaalsContact CG-CB 3.41Å; D133-C227 WeakPolarHBondContact OD2-CB 3.26Å; G167-C227 WeakPolarHBondContact O-CB 3.18Å; G167-C227 PolarHBondContact O-N 3.09Å; G167-C227 PolarHBondContact O-SG 3.04Å; C172-C227 VanDerWaalsContact SG-SG 3.69Å; C227-R229 VanDerWaalsContact C-N 3.26Å; C227-R229 PolarHBondContact O-N 2.94Å; C227-A230 PolarHBondContact O-N 2.63Å; C227-A230 VanDerWaalsContact O-N 3.14Å; C227-A230 VanDerWaalsContact SG-CB 3.54Å; C227-A230 PolarHBondContact SG-N 2.9Å; C227-F231 PolarHBondContact O-N 2.91Å
228R98.1Very high94.8Very high154 Ų15448.3 Ų48.358%0.58126%0.26SS*.Hα-helixtrans-54.2-42.4-179.6178.7177.3-67.3-87.6-3.2112.4L208 A230 F231 E232L208-R228 HydrophobicContact CD1-CB 4.08Å; L208-R228 HydrophobicContact CD1-CG 4.37Å; R228-A230 VanDerWaalsContact C-N 3.35Å; R228-A230 PolarHBondContact O-N 2.99Å; R228-F231 PolarHBondContact O-N 3.41Å; R228-E232 WeakPolarHBondContact CD-OE1 3.29Å; R228-E232 HydrophobicContact CG-CG 4.22Å; R228-E232 VanDerWaalsContact CG-OE1 3.24Å; R228-E232 WeakPolarHBondContact CG-OE1 3.44Å; R228-E232 WeakPolarHBondContact O-CG 3.46Å; R228-E232 PolarHBondContact O-N 3.48Å
229R98.2Very high94.9Very high71 Ų7149 Ų4927%0.26827%0.265SS..Hα-helixtrans-63.9-38.2-178.4-177.757.71781603.7112.6W138 C227 F231 E232 L233 E238W138-R229 HydrophobicContact CE3-CB 4.49Å; W138-R229 HydrophobicContact CE3-CG 4.15Å; W138-R229 HydrophobicContact CH2-CB 3.34Å; W138-R229 HydrophobicContact CH2-CG 3.89Å; W138-R229 HydrophobicContact CZ2-CB 3.89Å; W138-R229 HydrophobicContact CZ3-CB 3.69Å; W138-R229 HydrophobicContact CZ3-CG 3.66Å; C227-R229 VanDerWaalsContact C-N 3.26Å; C227-R229 PolarHBondContact O-N 2.94Å; R229-F231 VanDerWaalsContact C-N 3.34Å; R229-E232 PolarHBondContact O-N 3.42Å; R229-L233 HydrophobicContact CG-CD1 4.24Å; R229-L233 HydrophobicContact CG-CG 4.38Å; R229-L233 WeakPolarHBondContact O-CB 3.34Å; R229-L233 VanDerWaalsContact O-CG 3.25Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 3.5Å; R229-E238 IonicContact CZ-OE1 2.78Å; R229-E238 IonicContact NH1-OE1 3.67Å; R229-E238 PolarHBondContact NH1-OE1 3.24Å; R229-E238 IonicContact NH2-OE1 3.72Å; R229-E238 PolarHBondContact NH2-OE1 2.88Å; R229-E238 IonicContact NH2-OE2 3.27Å; R229-E238 PolarHBondContact NH2-OE2 3.46Å
230A98.3Very high95.3Very high0 Ų047 Ų470%026%0.263CS..Hα-helixtrans-64.4-41.5177.300000111.3L171 C172 F199 V226 C227 R228 L233 S234L171-A230 HydrophobicContact CD2-CB 4.1Å; C172-A230 PolarHBondContact SG-N 2.77Å; F199-A230 HydrophobicContact CD2-CB 4.45Å; F199-A230 HydrophobicContact CE2-CB 4.3Å; F199-A230 WeakPolarHBondContact CE2-O 3.13Å; V226-A230 HydrophobicContact CG2-CB 3.69Å; C227-A230 PolarHBondContact O-N 2.63Å; C227-A230 VanDerWaalsContact O-N 3.14Å; C227-A230 VanDerWaalsContact SG-CB 3.54Å; C227-A230 PolarHBondContact SG-N 2.9Å; R228-A230 VanDerWaalsContact C-N 3.35Å; R228-A230 PolarHBondContact O-N 2.99Å; A230-L233 PolarHBondContact O-N 3.08Å; A230-S234 PolarHBondContact O-N 3.09Å
231F98.4Very high95.8Very high27 Ų2746.1 Ų46.112%0.11826%0.255CS..Hα-helixtrans-62.7-47.6172.8172.4-104.9000112A202 G206 E207 L208 V226 C227 R228 R229 L233 S234 Q235A202-F231 HydrophobicContact CB-CD2 3.95Å; A202-F231 WeakPolarHBondContact O-CE2 3.39Å; G206-F231 VanDerWaalsContact C-CZ 3.42Å; G206-F231 VanDerWaalsContact O-CZ 3.32Å; G206-F231 WeakPolarHBondContact O-CZ 3.43Å; E207-F231 VanDerWaalsContact CA-CZ 3.49Å; L208-F231 HydrophobicContact CD2-CB 3.64Å; L208-F231 HydrophobicContact CD2-CD1 4.31Å; L208-F231 HydrophobicContact CD2-CG 3.99Å; L208-F231 HydrophobicContact CG-CB 4.48Å; L208-F231 HydrophobicContact CG-CD1 4.28Å; L208-F231 HydrophobicContact CG-CG 4.41Å; V226-F231 HydrophobicContact CG1-CB 4.26Å; C227-F231 PolarHBondContact O-N 2.91Å; R228-F231 PolarHBondContact O-N 3.41Å; R229-F231 VanDerWaalsContact C-N 3.34Å; F231-L233 VanDerWaalsContact C-N 3.29Å; F231-L233 PolarHBondContact O-N 2.81Å; F231-S234 PolarHBondContact O-N 3.48Å; F231-S234 PolarHBondContact O-OG 2.94Å; F231-Q235 HydrophobicContact CD2-CG 4.25Å; F231-Q235 HydrophobicContact CE1-CG 4.17Å; F231-Q235 HydrophobicContact CE2-CG 3.68Å; F231-Q235 HydrophobicContact CZ-CG 3.61Å; F231-Q235 PolarHBondContact O-N 3.13Å
232E98.2Very high96Very high76 Ų7646.3 Ų46.336%0.35526%0.256SS..Hα-helixtrans-59.2-39176.7-71.7169176.300112.6R228 R229 S234 Q235 S236R228-E232 WeakPolarHBondContact CD-OE1 3.29Å; R228-E232 HydrophobicContact CG-CG 4.22Å; R228-E232 VanDerWaalsContact CG-OE1 3.24Å; R228-E232 WeakPolarHBondContact CG-OE1 3.44Å; R228-E232 WeakPolarHBondContact O-CG 3.46Å; R228-E232 PolarHBondContact O-N 3.48Å; R229-E232 PolarHBondContact O-N 3.42Å; E232-S234 VanDerWaalsContact C-N 3.26Å; E232-S234 PolarHBondContact O-N 2.98Å; E232-Q235 PolarHBondContact O-N 2.84Å; E232-S236 WeakPolarHBondContact O-CB 3.26Å; E232-S236 PolarHBondContact O-N 3.28Å; E232-S236 PolarHBondContact O-OG 3Å
233L98.1Very high96.4Very high2 Ų245.7 Ų45.71%0.0125%0.247CC..Hα-helixtrans-62.2-32.3176.3-76.6173.3000112.7C172 V175 R229 A230 F231 E238 I241C172-L233 HydrophobicContact CB-CD1 4.38Å; V175-L233 HydrophobicContact CB-CD1 4.03Å; V175-L233 HydrophobicContact CG1-CD1 4.01Å; V175-L233 HydrophobicContact CG1-CD2 3.77Å; V175-L233 HydrophobicContact CG1-CG 4.46Å; V175-L233 HydrophobicContact CG2-CD1 4.32Å; R229-L233 HydrophobicContact CG-CD1 4.24Å; R229-L233 HydrophobicContact CG-CG 4.38Å; R229-L233 WeakPolarHBondContact O-CB 3.34Å; R229-L233 VanDerWaalsContact O-CG 3.25Å; R229-L233 WeakPolarHBondContact O-CG 3.47Å; R229-L233 PolarHBondContact O-N 3.5Å; A230-L233 PolarHBondContact O-N 3.08Å; F231-L233 VanDerWaalsContact C-N 3.29Å; F231-L233 PolarHBondContact O-N 2.81Å; L233-E238 HydrophobicContact CD2-CB 4.31Å; L233-I241 HydrophobicContact CB-CD1 3.86Å
234S96.5Very high96.8Very high28 Ų2846.6 Ų46.620%0.19625%0.249CC..Hα-helixtrans-78.6-23.1178.475.90000113.3I203 A230 F231 E232I203-S234 WeakPolarHBondContact CG1-OG 3.22Å; A230-S234 PolarHBondContact O-N 3.09Å; F231-S234 PolarHBondContact O-N 3.48Å; F231-S234 PolarHBondContact O-OG 2.94Å; E232-S234 VanDerWaalsContact C-N 3.26Å; E232-S234 PolarHBondContact O-N 2.98Å
235Q95.5Very high97Very high100 Ų10045 Ų4547%0.46724%0.244SC..Hα-helixtrans-99.5-25.3-177.9-58.4-54.3-65.700113.9F231 E232 G237F231-Q235 HydrophobicContact CD2-CG 4.25Å; F231-Q235 HydrophobicContact CE1-CG 4.17Å; F231-Q235 HydrophobicContact CE2-CG 3.68Å; F231-Q235 HydrophobicContact CZ-CG 3.61Å; F231-Q235 PolarHBondContact O-N 3.13Å; E232-Q235 PolarHBondContact O-N 2.84Å; Q235-G237 PolarHBondContact O-N 3.48Å
236S93.8Very high97.1Very high59 Ų5943 Ų4341%0.41323%0.231SC..SBendtrans-77.2-17.4-169.855.60000115.3E232 E238E232-S236 WeakPolarHBondContact O-CB 3.26Å; E232-S236 PolarHBondContact O-N 3.28Å; E232-S236 PolarHBondContact O-OG 3Å; S236-E238 PolarHBondContact O-N 3.3Å; S236-E238 WeakPolarHBondContact OG-CB 3.5Å; S236-E238 WeakPolarHBondContact OG-CG 3.34Å; S236-E238 PolarHBondContact OG-N 2.9Å
237G91.9Very high97.1Very high69 Ų6945.3 Ų45.371%0.71125%0.246SC*.SBendtrans73.23.8-169.300000114.2Q235 A239Q235-G237 PolarHBondContact O-N 3.48Å; G237-A239 PolarHBondContact O-N 3.32Å
238E91.8Very high97.2Very high84 Ų8446 Ų4639%0.39325%0.249SC..SBendtrans-63.7-24.9174.1-71.6-175.6-108.200112.6R229 L233 S236R229-E238 IonicContact CZ-OE1 2.78Å; R229-E238 IonicContact NH1-OE1 3.67Å; R229-E238 PolarHBondContact NH1-OE1 3.24Å; R229-E238 IonicContact NH2-OE1 3.72Å; R229-E238 PolarHBondContact NH2-OE1 2.88Å; R229-E238 IonicContact NH2-OE2 3.27Å; R229-E238 PolarHBondContact NH2-OE2 3.46Å; L233-E238 HydrophobicContact CD2-CB 4.31Å; S236-E238 PolarHBondContact O-N 3.3Å; S236-E238 WeakPolarHBondContact OG-CB 3.5Å; S236-E238 WeakPolarHBondContact OG-CG 3.34Å; S236-E238 PolarHBondContact OG-N 2.9Å
239A96.1Very high97.2Very high15 Ų1543.3 Ų43.312%0.12424%0.243CC..SBendtrans-148.5151.3177.800000110.5V175 G237 I241V175-A239 HydrophobicContact CG1-CB 3.72Å; V175-A239 HydrophobicContact CG2-CB 4.16Å; G237-A239 PolarHBondContact O-N 3.32Å; A239-I241 HydrophobicContact CB-CG1 4.32Å
240T97.6Very high97.2Very high78 Ų7843.3 Ų43.348%0.47925%0.246SC..  trans-87.5107.8169-57.40000109.4P187 V188 I242P187-T240 CarbonylContact C-O 3.4Å; P187-T240 VanDerWaalsContact CA-O 3.28Å; P187-T240 WeakPolarHBondContact CA-O 3.31Å; P187-T240 HydrophobicContact CB-CG2 3.98Å; V188-T240 PolarHBondContact N-O 3.09Å; T240-I242 HydrophobicContact CG2-CG1 4.48Å
241I98.5Very high97.2Very high28 Ų2843.3 Ų43.314%0.14425%0.246CC..EExtended strand (participates in β ladder)trans-112122.5177.6-58.4167.6000109.5L171 V175 V188 A190 F199 L233 A239L171-I241 HydrophobicContact CD1-CD1 4.04Å; L171-I241 HydrophobicContact CD1-CG1 4.31Å; L171-I241 HydrophobicContact CD1-CG2 4.4Å; L171-I241 HydrophobicContact CD2-CD1 4.24Å; L171-I241 HydrophobicContact CG-CD1 4.41Å; V175-I241 HydrophobicContact CG2-CD1 4.39Å; V188-I241 HydrophobicContact CB-CG1 4.5Å; V188-I241 CarbonylContact O-C 3.57Å; V188-I241 WeakPolarHBondContact O-CA 3.43Å; A190-I241 HydrophobicContact CB-CG2 3.86Å; F199-I241 HydrophobicContact CE1-CG2 3.77Å; F199-I241 HydrophobicContact CZ-CD1 4.5Å; F199-I241 HydrophobicContact CZ-CG2 3.8Å; L233-I241 HydrophobicContact CB-CD1 3.86Å; A239-I241 HydrophobicContact CB-CG1 4.32Å
242I98.5Very high97.2Very high9 Ų942.5 Ų42.55%0.04624%0.243CC..EExtended strand (participates in β ladder)trans-10498.8178.9-57.1177000106.7P187 V188 I189 A190 T240 E244 L285 R290 L291P187-I242 HydrophobicContact CB-CD1 4.18Å; V188-I242 PolarHBondContact O-N 3.06Å; I189-I242 WeakPolarHBondContact CA-O 3.15Å; A190-I242 PolarHBondContact N-O 3.31Å; T240-I242 HydrophobicContact CG2-CG1 4.48Å; I242-E244 HydrophobicContact CG2-CG 4.07Å; I242-L285 HydrophobicContact CG2-CD1 4.09Å; I242-L285 HydrophobicContact CG2-CD2 3.99Å; I242-R290 WeakPolarHBondContact CD1-O 3.47Å; I242-L291 HydrophobicContact CD1-CD2 3.75Å; I242-L291 HydrophobicContact CD1-CG 4.16Å
243S98.5Very high97.2Very high14 Ų1446.7 Ų46.710%0.09826%0.256CS..EExtended strand (participates in β ladder)trans-83.2125.7177.11770000110.6A190 N200A190-S243 WeakPolarHBondContact O-CA 3.21Å; N200-S243 WeakPolarHBondContact CB-OG 3.5Å; N200-S243 PolarHBondContact ND2-OG 3.04Å
244E98.6Very high97.2Very high35 Ų3546.6 Ų46.616%0.16426%0.255CS..EExtended strand (participates in β ladder)trans-138.9150.5-177.7-70.6-64.8144.500110.8A190 M191 E192 I242 L281 L285 R290A190-E244 PolarHBondContact O-N 2.94Å; M191-E244 WeakPolarHBondContact CA-O 3.47Å; M191-E244 HydrophobicContact CE-CB 3.97Å; M191-E244 HydrophobicContact SD-CB 3.67Å; E192-E244 PolarHBondContact N-O 2.76Å; E192-E244 VanDerWaalsContact N-O 3.15Å; I242-E244 HydrophobicContact CG2-CG 4.07Å; E244-L281 HydrophobicContact CB-CD2 3.75Å; E244-L281 HydrophobicContact CG-CD1 4.27Å; E244-L281 HydrophobicContact CG-CD2 3.91Å; E244-L285 HydrophobicContact CG-CD2 4.46Å; E244-R290 IonicContact OE1-CZ 3.62Å; E244-R290 IonicContact OE1-NH1 2.73Å; E244-R290 PolarHBondContact OE1-NH1 2.99Å; E244-R290 IonicContact OE1-NH2 3.93Å; E244-R290 PolarHBondContact OE1-NH2 3.45Å
245L98.6Very high97.3Very high44 Ų4445.3 Ų45.323%0.2325%0.246CC..EExtended strand (participates in β ladder)trans-116.1147.9-177.1-59-174.9000111.1E192 V194 D197 N200E192-L245 HydrophobicContact CB-CD2 3.66Å; E192-L245 WeakPolarHBondContact O-CA 3.46Å; V194-L245 HydrophobicContact CG2-CB 4.15Å; V194-L245 HydrophobicContact CG2-CD1 4.3Å; D197-L245 HydrophobicContact CB-CD1 4.16Å; D197-L245 HydrophobicContact CB-CD2 3.51Å; N200-L245 HydrophobicContact CB-CD1 4.38Å; N200-L245 HydrophobicContact CB-CD2 3.7Å; N200-L245 HydrophobicContact CB-CG 4.25Å
246V98.6Very high97.4Very high4 Ų443.3 Ų43.32%0.02424%0.237CC..EExtended strand (participates in β ladder)trans-130158.2167.5-66.70000109.8M191 E192 T193 V194 E250 A251 A272 A275M191-V246 HydrophobicContact CE-CG1 3.62Å; E192-V246 PolarHBondContact O-N 2.86Å; T193-V246 CarbonylContact C-O 3.57Å; T193-V246 WeakPolarHBondContact CA-O 3.36Å; T193-V246 HydrophobicContact CG2-CG2 4.22Å; V194-V246 PolarHBondContact N-O 2.91Å; V246-E250 WeakPolarHBondContact CA-OE2 3.45Å; V246-E250 HydrophobicContact CB-CB 4.04Å; V246-A251 HydrophobicContact CG2-CB 4.47Å; V246-A272 HydrophobicContact CG2-CB 4.11Å; V246-A275 HydrophobicContact CB-CB 4.27Å; V246-A275 HydrophobicContact CG1-CB 3.89Å; V246-A275 HydrophobicContact CG2-CB 4.11Å
247T98.4Very high97.6Very high53 Ų5342.7 Ų42.733%0.32523%0.228SC..  trans-76.2161.8171.5600000111.1Q249 E250 A251T247-Q249 PolarHBondContact O-N 3.04Å; T247-E250 PolarHBondContact N-OE2 2.89Å; T247-E250 PolarHBondContact O-N 3.29Å; T247-E250 WeakPolarHBondContact OG1-CB 3.01Å; T247-E250 VanDerWaalsContact OG1-CG 3.25Å; T247-E250 WeakPolarHBondContact OG1-CG 3.45Å; T247-E250 PolarHBondContact OG1-N 2.99Å; T247-E250 VanDerWaalsContact OG1-N 3.14Å; T247-E250 PolarHBondContact OG1-OE2 3.34Å; T247-A251 PolarHBondContact O-N 3.38Å
248D98.4Very high97.9Very high17 Ų1739.4 Ų39.49%0.09119%0.194CC..Hα-helixtrans-60.9-34170.5-77.8-20.4000111.7T193 S216 E217 E250 A251 L252 M268 L320T193-D248 WeakPolarHBondContact CB-OD1 3.24Å; T193-D248 WeakPolarHBondContact CG2-OD1 3.42Å; S216-D248 VanDerWaalsContact CA-OD2 3.25Å; S216-D248 WeakPolarHBondContact CA-OD2 3.12Å; S216-D248 PolarHBondContact OG-OD1 2.95Å; S216-D248 PolarHBondContact OG-OD2 3.42Å; E217-D248 PolarHBondContact N-OD2 3.44Å; D248-E250 VanDerWaalsContact C-N 3.35Å; D248-E250 PolarHBondContact O-N 3.45Å; D248-A251 PolarHBondContact O-N 3.11Å; D248-L252 VanDerWaalsContact O-CB 3.29Å; D248-L252 WeakPolarHBondContact O-CB 3.42Å; D248-L252 PolarHBondContact O-N 2.94Å; D248-M268 HydrophobicContact CB-CE 4.16Å; D248-M268 WeakPolarHBondContact O-CE 3.18Å; D248-L320 HydrophobicContact CB-CD1 3.84Å; D248-L320 HydrophobicContact CB-CD2 3.88Å
249Q98Very high98.2Very high97 Ų9737.3 Ų37.345%0.45319%0.185SC..Hα-helixtrans-62.5-41.8174.7-72.476.613.500111.9T247 L252 R253 L320T247-Q249 PolarHBondContact O-N 3.04Å; Q249-L252 PolarHBondContact O-N 3.37Å; Q249-R253 VanDerWaalsContact O-CB 3.31Å; Q249-R253 WeakPolarHBondContact O-CB 3.36Å; Q249-R253 PolarHBondContact O-N 2.89Å; Q249-L320 HydrophobicContact CG-CB 4.34Å; Q249-L320 PolarHBondContact NE2-O 3.19Å
250E98.2Very high98.3Very high71 Ų7141.4 Ų41.433%0.33221%0.205SC..Hα-helixtrans-67.1-42.8176.4-73.9168.6130.800111.8V246 T247 D248 R253 A254V246-E250 WeakPolarHBondContact CA-OE2 3.45Å; V246-E250 HydrophobicContact CB-CB 4.04Å; T247-E250 PolarHBondContact N-OE2 2.89Å; T247-E250 PolarHBondContact O-N 3.29Å; T247-E250 WeakPolarHBondContact OG1-CB 3.01Å; T247-E250 VanDerWaalsContact OG1-CG 3.25Å; T247-E250 WeakPolarHBondContact OG1-CG 3.45Å; T247-E250 PolarHBondContact OG1-N 2.99Å; T247-E250 VanDerWaalsContact OG1-N 3.14Å; T247-E250 PolarHBondContact OG1-OE2 3.34Å; D248-E250 VanDerWaalsContact C-N 3.35Å; D248-E250 PolarHBondContact O-N 3.45Å; E250-R253 PolarHBondContact O-N 2.93Å; E250-A254 WeakPolarHBondContact O-CB 3.48Å; E250-A254 PolarHBondContact O-N 3.44Å
251A98.4Very high98.2Very high0 Ų040.8 Ų40.80%020%0.197CC..Hα-helixtrans-63-42.4175.200000111.8T193 V246 T247 D248 A254 V255 M268 A272T193-A251 HydrophobicContact CG2-CB 3.84Å; V246-A251 HydrophobicContact CG2-CB 4.47Å; T247-A251 PolarHBondContact O-N 3.38Å; D248-A251 PolarHBondContact O-N 3.11Å; A251-A254 WeakPolarHBondContact O-CB 3.41Å; A251-A254 PolarHBondContact O-N 3.15Å; A251-V255 WeakPolarHBondContact O-CG2 3.37Å; A251-V255 PolarHBondContact O-N 3Å; A251-M268 HydrophobicContact CB-CE 3.86Å; A251-A272 HydrophobicContact CB-CB 4.49Å
252L98.2Very high98.2Very high10 Ų1041.7 Ų41.75%0.05220%0.2CC..Hα-helixtrans-64.6-44.4177.3176.262.7000111.1D248 Q249 A254 V255 Q256 M268 L313 L316 Q317 L320D248-L252 VanDerWaalsContact O-CB 3.29Å; D248-L252 WeakPolarHBondContact O-CB 3.42Å; D248-L252 PolarHBondContact O-N 2.94Å; Q249-L252 PolarHBondContact O-N 3.37Å; L252-A254 VanDerWaalsContact C-N 3.28Å; L252-A254 PolarHBondContact O-N 3.45Å; L252-V255 WeakPolarHBondContact O-CB 3.46Å; L252-V255 PolarHBondContact O-N 3.46Å; L252-V255 VanDerWaalsContact O-N 3.13Å; L252-Q256 WeakPolarHBondContact O-CG 3.38Å; L252-Q256 PolarHBondContact O-N 3.42Å; L252-M268 HydrophobicContact CB-CE 3.78Å; L252-M268 HydrophobicContact CB-SD 3.81Å; L252-M268 HydrophobicContact CD1-SD 4Å; L252-L313 HydrophobicContact CD1-CD1 3.59Å; L252-L316 HydrophobicContact CD1-CB 4.09Å; L252-L316 HydrophobicContact CD2-CB 4.49Å; L252-Q317 HydrophobicContact CD1-CG 4.44Å; L252-Q317 HydrophobicContact CD2-CB 4.45Å; L252-Q317 HydrophobicContact CD2-CG 3.99Å; L252-L320 HydrophobicContact CB-CD1 4.05Å; L252-L320 HydrophobicContact CD2-CB 4.23Å; L252-L320 HydrophobicContact CD2-CD1 3.83Å
253R98.1Very high98.1Very high164 Ų16450.2 Ų50.262%0.61923%0.232SC*.Hα-helixtrans-60-41.7175.8-175.6176.8179170.41.2111.2Q249 E250 V255 Q256 M257Q249-R253 VanDerWaalsContact O-CB 3.31Å; Q249-R253 WeakPolarHBondContact O-CB 3.36Å; Q249-R253 PolarHBondContact O-N 2.89Å; E250-R253 PolarHBondContact O-N 2.93Å; R253-V255 VanDerWaalsContact C-N 3.34Å; R253-V255 PolarHBondContact O-N 2.82Å; R253-Q256 PolarHBondContact O-N 3.32Å; R253-M257 HydrophobicContact CG-CG 4.38Å; R253-M257 HydrophobicContact CG-SD 4.05Å; R253-M257 VanDerWaalsContact O-CG 3.32Å; R253-M257 WeakPolarHBondContact O-CG 3.32Å; R253-M257 PolarHBondContact O-N 3.13Å
254A98.4Very high98Very high0 Ų050.9 Ų50.90%024%0.235CC..Hα-helixtrans-62.6-38.8174.900000112.3E250 A251 L252 F258 G271 L274 A275 Y278E250-A254 WeakPolarHBondContact O-CB 3.48Å; E250-A254 PolarHBondContact O-N 3.44Å; A251-A254 WeakPolarHBondContact O-CB 3.41Å; A251-A254 PolarHBondContact O-N 3.15Å; L252-A254 VanDerWaalsContact C-N 3.28Å; L252-A254 PolarHBondContact O-N 3.45Å; A254-F258 WeakPolarHBondContact O-CB 3.31Å; A254-F258 PolarHBondContact O-N 3Å; A254-G271 WeakPolarHBondContact CB-O 3.47Å; A254-L274 HydrophobicContact CB-CB 4.04Å; A254-A275 HydrophobicContact CB-CB 3.9Å; A254-Y278 HydrophobicContact CB-CD2 3.73Å; A254-Y278 HydrophobicContact CB-CE2 4.5Å; A254-Y278 HydrophobicContact CB-CG 4.46Å
255V98.5Very high98Very high0 Ų051.4 Ų51.40%024%0.239CC..Hα-helixtrans-60.4-46.1172.7172.80000111.2A251 L252 R253 L259 L265 V266 M268 L313A251-V255 WeakPolarHBondContact O-CG2 3.37Å; A251-V255 PolarHBondContact O-N 3Å; L252-V255 WeakPolarHBondContact O-CB 3.46Å; L252-V255 PolarHBondContact O-N 3.46Å; L252-V255 VanDerWaalsContact O-N 3.13Å; R253-V255 VanDerWaalsContact C-N 3.34Å; R253-V255 PolarHBondContact O-N 2.82Å; V255-L259 WeakPolarHBondContact O-CB 3.28Å; V255-L259 PolarHBondContact O-N 2.81Å; V255-L265 HydrophobicContact CG1-CD1 3.95Å; V255-V266 VanDerWaalsContact CG1-O 3.28Å; V255-V266 WeakPolarHBondContact CG1-O 3.39Å; V255-V266 HydrophobicContact CG2-CG2 4.21Å; V255-M268 HydrophobicContact CG2-SD 4.32Å; V255-L313 HydrophobicContact CG1-CD1 3.95Å
256Q98.2Very high98Very high58 Ų5849.3 Ų49.327%0.27123%0.228SC..Hα-helixtrans-64.1-47.3179.7-67.8170.7-54.100111.7L252 R253 F258 L259 D260 L313 Q317L252-Q256 WeakPolarHBondContact O-CG 3.38Å; L252-Q256 PolarHBondContact O-N 3.42Å; R253-Q256 PolarHBondContact O-N 3.32Å; Q256-F258 PolarHBondContact O-N 2.85Å; Q256-L259 WeakPolarHBondContact O-CB 3.4Å; Q256-L259 PolarHBondContact O-N 3.23Å; Q256-D260 PolarHBondContact O-N 3.25Å; Q256-L313 HydrophobicContact CG-CD1 4.38Å; Q256-Q317 VanDerWaalsContact NE2-CD 3.33Å
257M98.1Very high97.9Very high46 Ų4649.8 Ų49.823%0.22723%0.23CC..Hα-helixtrans-63.7-42178.8-68.3-178.872.300111.6R253 L259 D260 E261 Y278R253-M257 HydrophobicContact CG-CG 4.38Å; R253-M257 HydrophobicContact CG-SD 4.05Å; R253-M257 VanDerWaalsContact O-CG 3.32Å; R253-M257 WeakPolarHBondContact O-CG 3.32Å; R253-M257 PolarHBondContact O-N 3.13Å; M257-L259 VanDerWaalsContact C-N 3.33Å; M257-L259 PolarHBondContact O-N 2.98Å; M257-D260 PolarHBondContact O-N 2.96Å; M257-E261 WeakPolarHBondContact O-CB 3.46Å; M257-E261 VanDerWaalsContact O-CG 3.3Å; M257-E261 WeakPolarHBondContact O-CG 3.47Å; M257-E261 PolarHBondContact O-N 3.34Å; M257-Y278 HydrophobicContact CB-CD1 3.93Å; M257-Y278 HydrophobicContact CB-CE1 3.63Å; M257-Y278 HydrophobicContact CB-CE2 4.26Å; M257-Y278 HydrophobicContact CB-CG 4.38Å; M257-Y278 HydrophobicContact CE-CD1 3.35Å; M257-Y278 HydrophobicContact CE-CE1 3.69Å; M257-Y278 HydrophobicContact CE-CG 4.36Å; M257-Y278 HydrophobicContact CG-CD1 4.41Å; M257-Y278 HydrophobicContact SD-CD1 3.64Å; M257-Y278 HydrophobicContact SD-CE1 4.24Å; M257-Y278 HydrophobicContact SD-CG 4.09Å
258F98.4Very high97.8Very high0 Ų047.7 Ų47.70%022%0.217CC..Hα-helixtrans-65.2-36.7177.3-167.6-106.7000112.5M17 L27 M29 A254 Q256 E262 R263 V264 V266 L274 Y278 V302M17-F258 HydrophobicContact SD-CD2 4.31Å; M17-F258 HydrophobicContact SD-CE2 4.31Å; L27-F258 HydrophobicContact CD1-CE2 3.76Å; L27-F258 HydrophobicContact CD1-CZ 4.17Å; M29-F258 HydrophobicContact CE-CZ 4.33Å; A254-F258 WeakPolarHBondContact O-CB 3.31Å; A254-F258 PolarHBondContact O-N 3Å; Q256-F258 PolarHBondContact O-N 2.85Å; F258-E262 HydrophobicContact CD2-CB 4.12Å; F258-E262 HydrophobicContact CD2-CG 3.73Å; F258-E262 HydrophobicContact CE1-CB 4.34Å; F258-E262 HydrophobicContact CE2-CB 3.9Å; F258-E262 HydrophobicContact CE2-CG 3.51Å; F258-E262 HydrophobicContact CG-CB 4.46Å; F258-E262 HydrophobicContact CG-CG 4.5Å; F258-E262 HydrophobicContact CZ-CB 3.99Å; F258-E262 HydrophobicContact CZ-CG 4.09Å; F258-E262 WeakPolarHBondContact O-CA 3.46Å; F258-E262 WeakPolarHBondContact O-CB 3.44Å; F258-E262 PolarHBondContact O-N 3.47Å; F258-R263 PolarHBondContact O-N 3.4Å; F258-V264 HydrophobicContact CD1-CB 4.24Å; F258-V264 WeakPolarHBondContact CD1-O 3.33Å; F258-V264 HydrophobicContact CE1-CB 3.75Å; F258-V264 HydrophobicContact CE1-CG1 3.94Å; F258-V266 HydrophobicContact CD1-CG1 3.97Å; F258-V266 HydrophobicContact CD1-CG2 4.04Å; F258-V266 HydrophobicContact CE1-CG1 3.81Å; F258-L274 HydrophobicContact CB-CD1 3.82Å; F258-L274 HydrophobicContact CD1-CD1 3.89Å; F258-L274 HydrophobicContact CD2-CD1 3.77Å; F258-L274 HydrophobicContact CD2-CD2 3.78Å; F258-L274 HydrophobicContact CD2-CG 4.4Å; F258-L274 HydrophobicContact CE1-CD1 4.38Å; F258-L274 HydrophobicContact CE2-CD1 4.26Å; F258-L274 HydrophobicContact CE2-CD2 3.8Å; F258-L274 HydrophobicContact CG-CD1 3.56Å; F258-L274 HydrophobicContact CG-CD2 4.43Å; F258-L274 HydrophobicContact CZ-CD2 4.49Å; F258-Y278 HydrophobicContact CB-CE2 4.25Å; F258-V302 HydrophobicContact CE1-CG1 3.83Å; F258-V302 HydrophobicContact CZ-CG1 3.71Å; F258-V302 HydrophobicContact CZ-CG2 4.06Å
259L98.1Very high97.8Very high40 Ų4047.2 Ų47.221%0.20922%0.215CC..Hα-helixtrans-61.7-44.1171.9175.363.1000111.6V255 Q256 M257 R263 V264 L265 L313V255-L259 WeakPolarHBondContact O-CB 3.28Å; V255-L259 PolarHBondContact O-N 2.81Å; Q256-L259 WeakPolarHBondContact O-CB 3.4Å; Q256-L259 PolarHBondContact O-N 3.23Å; M257-L259 VanDerWaalsContact C-N 3.33Å; M257-L259 PolarHBondContact O-N 2.98Å; L259-R263 WeakPolarHBondContact O-CA 3.38Å; L259-R263 PolarHBondContact O-N 2.87Å; L259-R263 VanDerWaalsContact O-N 3.09Å; L259-V264 WeakPolarHBondContact CA-O 3.25Å; L259-L265 HydrophobicContact CD1-CB 4.13Å; L259-L265 HydrophobicContact CD2-CD1 4.35Å; L259-L313 HydrophobicContact CD2-CD2 4.06Å
260D97.4Very high97.8Very high102 Ų10242.6 Ų42.655%0.54519%0.194SC..Hα-helixtrans-73.8-34.3-178.6-75.5-24.9000113Q256 M257 R263Q256-D260 PolarHBondContact O-N 3.25Å; M257-D260 PolarHBondContact O-N 2.96Å; D260-R263 PolarHBondContact O-NE 3.4Å; D260-R263 PolarHBondContact O-NH1 2.85Å; D260-R263 PolarHBondContact O-NH2 3.44Å; D260-R263 VanDerWaalsContact O-NH2 3.13Å
261E96.7Very high97.8Very high65 Ų6539.2 Ų39.230%0.30418%0.178SC..Hα-helixtrans-86.4-50-176.6-68.8177.6-175.200112.1S16 M257 Y278S16-E261 VanDerWaalsContact CB-OE2 3.28Å; S16-E261 WeakPolarHBondContact CB-OE2 3.17Å; S16-E261 PolarHBondContact OG-OE2 3.42Å; M257-E261 WeakPolarHBondContact O-CB 3.46Å; M257-E261 VanDerWaalsContact O-CG 3.3Å; M257-E261 WeakPolarHBondContact O-CG 3.47Å; M257-E261 PolarHBondContact O-N 3.34Å; E261-Y278 VanDerWaalsContact OE2-CE1 3.29Å; E261-Y278 WeakPolarHBondContact OE2-CE1 3.29Å; E261-Y278 PolarHBondContact OE2-OH 2.96Å
262E97.8Very high97.8Very high46 Ų4639.2 Ų39.222%0.21518%0.178CC..Hα-helixtrans-103.2-3.5-172-57.7-60.8159.600113S14 L27 F258 V264S14-E262 WeakPolarHBondContact CB-OE1 3.28Å; S14-E262 PolarHBondContact OG-OE1 2.95Å; L27-E262 HydrophobicContact CD1-CG 4.03Å; F258-E262 HydrophobicContact CD2-CB 4.12Å; F258-E262 HydrophobicContact CD2-CG 3.73Å; F258-E262 HydrophobicContact CE1-CB 4.34Å; F258-E262 HydrophobicContact CE2-CB 3.9Å; F258-E262 HydrophobicContact CE2-CG 3.51Å; F258-E262 HydrophobicContact CG-CB 4.46Å; F258-E262 HydrophobicContact CG-CG 4.5Å; F258-E262 HydrophobicContact CZ-CB 3.99Å; F258-E262 HydrophobicContact CZ-CG 4.09Å; F258-E262 WeakPolarHBondContact O-CA 3.46Å; F258-E262 WeakPolarHBondContact O-CB 3.44Å; F258-E262 PolarHBondContact O-N 3.47Å; E262-V264 PolarHBondContact O-N 3.18Å
263R97.2Very high97.8Very high189 Ų18938.8 Ų38.871%0.71318%0.175SC*.SBendtrans61.229.5178.3-47.9-55.2179.8-174.3-6.7113.7F258 L259 D260F258-R263 PolarHBondContact O-N 3.4Å; L259-R263 WeakPolarHBondContact O-CA 3.38Å; L259-R263 PolarHBondContact O-N 2.87Å; L259-R263 VanDerWaalsContact O-N 3.09Å; D260-R263 PolarHBondContact O-NE 3.4Å; D260-R263 PolarHBondContact O-NH1 2.85Å; D260-R263 PolarHBondContact O-NH2 3.44Å; D260-R263 VanDerWaalsContact O-NH2 3.13Å
264V96.7Very high97.9Very high27 Ų2731 Ų3116%0.16415%0.146CC..  trans-125124179.41770000109.8M29 N31 F258 L259 E262 V266M29-V264 HydrophobicContact CE-CG2 3.88Å; N31-V264 HydrophobicContact CB-CG1 4.37Å; N31-V264 WeakPolarHBondContact ND2-CG1 3.43Å; F258-V264 HydrophobicContact CD1-CB 4.24Å; F258-V264 WeakPolarHBondContact CD1-O 3.33Å; F258-V264 HydrophobicContact CE1-CB 3.75Å; F258-V264 HydrophobicContact CE1-CG1 3.94Å; L259-V264 WeakPolarHBondContact CA-O 3.25Å; E262-V264 PolarHBondContact O-N 3.18Å; V264-V266 HydrophobicContact CG1-CG1 3.78Å
265L97.8Very high97.9Very high46 Ų4631 Ų3124%0.24115%0.146CC..  trans-83.9129.9169.8-176.361000110V255 L259 I308 L313V255-L265 HydrophobicContact CG1-CD1 3.95Å; L259-L265 HydrophobicContact CD1-CB 4.13Å; L259-L265 HydrophobicContact CD2-CD1 4.35Å; L265-I308 HydrophobicContact CD1-CG1 4.07Å; L265-I308 HydrophobicContact CD2-CG1 4.1Å; L265-I308 HydrophobicContact CD2-CG2 4.19Å; L265-I308 HydrophobicContact CG-CG1 4.03Å; L265-I308 HydrophobicContact CG-CG2 3.86Å; L265-L313 HydrophobicContact CD1-CD2 3.98Å
266V97.9Very high97.8Very high0 Ų031 Ų310%015%0.146CC..  trans-131.1161.4179-59.80000111.4V255 F258 V264 C270 L274 V302V255-V266 VanDerWaalsContact CG1-O 3.28Å; V255-V266 WeakPolarHBondContact CG1-O 3.39Å; V255-V266 HydrophobicContact CG2-CG2 4.21Å; F258-V266 HydrophobicContact CD1-CG1 3.97Å; F258-V266 HydrophobicContact CD1-CG2 4.04Å; F258-V266 HydrophobicContact CE1-CG1 3.81Å; V264-V266 HydrophobicContact CG1-CG1 3.78Å; V266-C270 HydrophobicContact CB-CB 3.68Å; V266-C270 HydrophobicContact CG1-CB 4.45Å; V266-C270 HydrophobicContact CG2-CB 3.72Å; V266-L274 HydrophobicContact CG2-CD1 3.89Å; V266-V302 HydrophobicContact CG1-CG1 4.1Å
267E96.5Very high97.8Very high15 Ų1528.4 Ų28.47%0.0713%0.134CC..  trans-73.1162177.2-77.3-176.5-134.800112.4N64 C220 A269 C270 G271 G304 G305 S306 S307 I308N64-E267 PolarHBondContact ND2-OE1 2.86Å; N64-E267 PolarHBondContact OD1-OE1 3.49Å; C220-E267 PolarHBondContact SG-OE2 2.84Å; E267-A269 PolarHBondContact O-N 3.31Å; E267-A269 VanDerWaalsContact O-N 3.15Å; E267-C270 WeakPolarHBondContact O-CA 3.37Å; E267-C270 VanDerWaalsContact O-CB 3.31Å; E267-C270 WeakPolarHBondContact O-CB 3.46Å; E267-C270 PolarHBondContact O-N 3.34Å; E267-G271 PolarHBondContact O-N 3.25Å; E267-G304 PolarHBondContact N-O 3.47Å; E267-G305 WeakPolarHBondContact OE1-CA 3.38Å; E267-S306 PolarHBondContact OE1-N 3.2Å; E267-S307 WeakPolarHBondContact OE1-CB 3.36Å; E267-S307 PolarHBondContact OE1-N 3.06Å; E267-I308 HydrophobicContact CG-CB 3.88Å; E267-I308 HydrophobicContact CG-CG2 3.97Å
268M97.3Very high97.8Very high9 Ų927.6 Ų27.64%0.04413%0.129CC..Hα-helixtrans-50.4-37.3173-69.6-62.5-73.800113.4A218 D248 A251 L252 V255 C270 G271 A272 L316 L320A218-M268 HydrophobicContact CB-CB 3.7Å; D248-M268 HydrophobicContact CB-CE 4.16Å; D248-M268 WeakPolarHBondContact O-CE 3.18Å; A251-M268 HydrophobicContact CB-CE 3.86Å; L252-M268 HydrophobicContact CB-CE 3.78Å; L252-M268 HydrophobicContact CB-SD 3.81Å; L252-M268 HydrophobicContact CD1-SD 4Å; V255-M268 HydrophobicContact CG2-SD 4.32Å; M268-C270 VanDerWaalsContact C-N 3.29Å; M268-C270 PolarHBondContact O-N 3.27Å; M268-G271 CarbonylContact O-C 3.58Å; M268-G271 WeakPolarHBondContact O-CA 3.32Å; M268-G271 PolarHBondContact O-N 3.5Å; M268-G271 VanDerWaalsContact O-N 3.11Å; M268-A272 PolarHBondContact O-N 2.74Å; M268-L316 HydrophobicContact CG-CD1 3.74Å; M268-L316 HydrophobicContact SD-CD1 4.11Å; M268-L320 HydrophobicContact CE-CD1 4.09Å
269A97.1Very high97.7Very high7 Ų729.2 Ų29.26%0.05814%0.14CC..Hα-helixtrans-61.6-34.9175.400000113.1S164 C220 L221 E267S164-A269 WeakPolarHBondContact CB-O 3.45Å; S164-A269 PolarHBondContact OG-O 3.27Å; C220-A269 HydrophobicContact CB-CB 3.68Å; L221-A269 HydrophobicContact CD1-CB 4.44Å; L221-A269 HydrophobicContact CD2-CB 3.55Å; L221-A269 HydrophobicContact CG-CB 3.7Å; E267-A269 PolarHBondContact O-N 3.31Å; E267-A269 VanDerWaalsContact O-N 3.15Å
270C98.6Very high97.6Very high0 Ų028.7 Ų28.70%015%0.145CC..Hα-helixtrans-76.3-38.7172.2-167.10000110.8V266 E267 M268 A272 A273 L274 C303 G304V266-C270 HydrophobicContact CB-CB 3.68Å; V266-C270 HydrophobicContact CG1-CB 4.45Å; V266-C270 HydrophobicContact CG2-CB 3.72Å; E267-C270 WeakPolarHBondContact O-CA 3.37Å; E267-C270 VanDerWaalsContact O-CB 3.31Å; E267-C270 WeakPolarHBondContact O-CB 3.46Å; E267-C270 PolarHBondContact O-N 3.34Å; M268-C270 VanDerWaalsContact C-N 3.29Å; M268-C270 PolarHBondContact O-N 3.27Å; C270-A272 PolarHBondContact O-N 3.34Å; C270-A273 WeakPolarHBondContact O-CB 3.35Å; C270-A273 PolarHBondContact O-N 3.13Å; C270-A273 VanDerWaalsContact O-N 3.11Å; C270-L274 WeakPolarHBondContact O-CG 3.41Å; C270-L274 PolarHBondContact O-N 2.75Å; C270-C303 WeakPolarHBondContact CA-SG 3.15Å; C270-C303 WeakPolarHBondContact CB-SG 3.28Å; C270-G304 WeakPolarHBondContact CB-O 3.5Å
271G98.5Very high97.6Very high0 Ų024 Ų240%012%0.119CC..Hα-helixtrans-52-40171.400000113A254 E267 M268 A273 L274 A275A254-G271 WeakPolarHBondContact CB-O 3.47Å; E267-G271 PolarHBondContact O-N 3.25Å; M268-G271 CarbonylContact O-C 3.58Å; M268-G271 WeakPolarHBondContact O-CA 3.32Å; M268-G271 PolarHBondContact O-N 3.5Å; M268-G271 VanDerWaalsContact O-N 3.11Å; G271-A273 VanDerWaalsContact C-N 3.35Å; G271-A273 PolarHBondContact O-N 2.62Å; G271-L274 PolarHBondContact O-N 2.83Å; G271-A275 VanDerWaalsContact O-CB 3.25Å; G271-A275 WeakPolarHBondContact O-CB 3.09Å; G271-A275 PolarHBondContact O-N 2.81Å
272A98.7Very high97.6Very high0 Ų020.9 Ų20.90%011%0.105CC..Hα-helixtrans-59.1-42.9176.800000112.9M191 T193 L221 V246 A251 M268 C270M191-A272 WeakPolarHBondContact CB-O 3.26Å; T193-A272 HydrophobicContact CG2-CB 4.01Å; L221-A272 HydrophobicContact CD1-CB 3.87Å; V246-A272 HydrophobicContact CG2-CB 4.11Å; A251-A272 HydrophobicContact CB-CB 4.49Å; M268-A272 PolarHBondContact O-N 2.74Å; C270-A272 PolarHBondContact O-N 3.34Å
273A98.6Very high97.6Very high0 Ų021.2 Ų21.20%011%0.111CC..Hα-helixtrans-64.1-52.317400000110.6L162 C270 G271 A275 A276L162-A273 VanDerWaalsContact CD2-O 3.32Å; L162-A273 WeakPolarHBondContact CD2-O 3.31Å; L162-A273 HydrophobicContact CG-CB 4.49Å; C270-A273 WeakPolarHBondContact O-CB 3.35Å; C270-A273 PolarHBondContact O-N 3.13Å; C270-A273 VanDerWaalsContact O-N 3.11Å; G271-A273 VanDerWaalsContact C-N 3.35Å; G271-A273 PolarHBondContact O-N 2.62Å; A273-A275 PolarHBondContact O-N 3.22Å; A273-A276 WeakPolarHBondContact O-CB 3.39Å; A273-A276 PolarHBondContact O-N 3.08Å; A273-A276 VanDerWaalsContact O-N 3.11Å
274L98.8Very high97.6Very high0 Ų017.5 Ų17.50%010%0.097CC..Hα-helixtrans-60.2-32.6-178.2-64.7167.6000112.8M17 A254 F258 V266 C270 G271 A276 I277 Y278 V300M17-L274 HydrophobicContact CE-CD2 3.71Å; M17-L274 HydrophobicContact SD-CD2 4.37Å; A254-L274 HydrophobicContact CB-CB 4.04Å; F258-L274 HydrophobicContact CB-CD1 3.82Å; F258-L274 HydrophobicContact CD1-CD1 3.89Å; F258-L274 HydrophobicContact CD2-CD1 3.77Å; F258-L274 HydrophobicContact CD2-CD2 3.78Å; F258-L274 HydrophobicContact CD2-CG 4.4Å; F258-L274 HydrophobicContact CE1-CD1 4.38Å; F258-L274 HydrophobicContact CE2-CD1 4.26Å; F258-L274 HydrophobicContact CE2-CD2 3.8Å; F258-L274 HydrophobicContact CG-CD1 3.56Å; F258-L274 HydrophobicContact CG-CD2 4.43Å; F258-L274 HydrophobicContact CZ-CD2 4.49Å; V266-L274 HydrophobicContact CG2-CD1 3.89Å; C270-L274 WeakPolarHBondContact O-CG 3.41Å; C270-L274 PolarHBondContact O-N 2.75Å; G271-L274 PolarHBondContact O-N 2.83Å; L274-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact O-N 3.16Å; L274-I277 PolarHBondContact O-N 2.92Å; L274-Y278 HydrophobicContact CB-CD2 4.07Å; L274-Y278 HydrophobicContact CB-CE2 4.1Å; L274-Y278 WeakPolarHBondContact O-CD2 3.4Å; L274-Y278 PolarHBondContact O-N 2.9Å; L274-V300 HydrophobicContact CD2-CG1 4.15Å
275A98.5Very high97.6Very high1 Ų116.2 Ų16.21%0.0089%0.089CC..Hα-helixtrans-59.7-25178.600000112.5V246 A254 G271 A273 I277 Y278 S279V246-A275 HydrophobicContact CB-CB 4.27Å; V246-A275 HydrophobicContact CG1-CB 3.89Å; V246-A275 HydrophobicContact CG2-CB 4.11Å; A254-A275 HydrophobicContact CB-CB 3.9Å; G271-A275 VanDerWaalsContact O-CB 3.25Å; G271-A275 WeakPolarHBondContact O-CB 3.09Å; G271-A275 PolarHBondContact O-N 2.81Å; A273-A275 PolarHBondContact O-N 3.22Å; A275-I277 PolarHBondContact O-N 2.97Å; A275-Y278 PolarHBondContact O-N 2.71Å; A275-S279 WeakPolarHBondContact O-CB 3.25Å; A275-S279 PolarHBondContact O-N 3.21Å; A275-S279 PolarHBondContact O-OG 2.9Å
276A97.8Very high97.6Very high0 Ų015.5 Ų15.50%09%0.085CC..Hα-helixtrans-58.2-31.6173.200000112.6L162 M191 A273 L274 L281 I282L162-A276 HydrophobicContact CD1-CB 3.57Å; L162-A276 HydrophobicContact CD2-CB 3.77Å; L162-A276 HydrophobicContact CG-CB 4.32Å; M191-A276 HydrophobicContact CE-CB 3.97Å; M191-A276 HydrophobicContact CG-CB 4.21Å; M191-A276 HydrophobicContact SD-CB 3.87Å; A273-A276 WeakPolarHBondContact O-CB 3.39Å; A273-A276 PolarHBondContact O-N 3.08Å; A273-A276 VanDerWaalsContact O-N 3.11Å; L274-A276 PolarHBondContact O-N 3.42Å; L274-A276 VanDerWaalsContact O-N 3.16Å; A276-L281 HydrophobicContact CB-CB 4.42Å; A276-L281 HydrophobicContact CB-CD2 3.89Å; A276-L281 WeakPolarHBondContact O-CA 3.46Å; A276-L281 WeakPolarHBondContact O-CB 3.25Å; A276-L281 PolarHBondContact O-N 2.97Å; A276-I282 HydrophobicContact CB-CD1 4.38Å; A276-I282 PolarHBondContact O-N 3.45Å
277I98.3Very high97.6Very high3 Ų320 Ų202%0.01512%0.122CC..Hα-helixtrans-88.1-50.7176.8-63.1160000109.7M17 M20 A21 V25 L162 L274 A275 S279 G280 I282 L298 V300M17-I277 HydrophobicContact CB-CG2 4.02Å; M17-I277 HydrophobicContact CE-CB 3.84Å; M17-I277 HydrophobicContact CE-CD1 3.39Å; M17-I277 HydrophobicContact CE-CG1 4.21Å; M17-I277 HydrophobicContact CE-CG2 4.06Å; M17-I277 HydrophobicContact CG-CG2 4.45Å; M20-I277 HydrophobicContact CB-CG2 4.21Å; M20-I277 HydrophobicContact CE-CG2 4.39Å; A21-I277 HydrophobicContact CB-CG2 4.26Å; V25-I277 HydrophobicContact CG1-CD1 3.87Å; V25-I277 HydrophobicContact CG2-CD1 4.19Å; L162-I277 HydrophobicContact CD2-CD1 3.9Å; L162-I277 HydrophobicContact CD2-CG1 4.08Å; L274-I277 PolarHBondContact O-N 2.92Å; A275-I277 PolarHBondContact O-N 2.97Å; I277-S279 VanDerWaalsContact C-N 3.28Å; I277-S279 PolarHBondContact O-N 2.83Å; I277-G280 PolarHBondContact O-N 2.83Å; I277-I282 HydrophobicContact CG1-CG1 3.97Å; I277-L298 HydrophobicContact CD1-CD2 3.64Å; I277-L298 HydrophobicContact CG1-CD2 3.81Å; I277-V300 HydrophobicContact CD1-CG2 3.66Å
278Y97.9Very high97.7Very high29 Ų2924.2 Ų24.211%0.11414%0.141CC..Hα-helixtrans-65-24.9-175.3-70.9-63.8000114.7M17 M20 A254 M257 F258 E261 L274 A275M17-Y278 HydrophobicContact CE-CD2 4.3Å; M17-Y278 HydrophobicContact CE-CE2 3.76Å; M17-Y278 HydrophobicContact CG-CE1 4.47Å; M17-Y278 HydrophobicContact SD-CE2 4.46Å; M20-Y278 HydrophobicContact CE-CD1 3.19Å; M20-Y278 HydrophobicContact CE-CE1 3.26Å; M20-Y278 HydrophobicContact CE-CG 4.27Å; M20-Y278 HydrophobicContact SD-CD1 4.13Å; A254-Y278 HydrophobicContact CB-CD2 3.73Å; A254-Y278 HydrophobicContact CB-CE2 4.5Å; A254-Y278 HydrophobicContact CB-CG 4.46Å; M257-Y278 HydrophobicContact CB-CD1 3.93Å; M257-Y278 HydrophobicContact CB-CE1 3.63Å; M257-Y278 HydrophobicContact CB-CE2 4.26Å; M257-Y278 HydrophobicContact CB-CG 4.38Å; M257-Y278 HydrophobicContact CE-CD1 3.35Å; M257-Y278 HydrophobicContact CE-CE1 3.69Å; M257-Y278 HydrophobicContact CE-CG 4.36Å; M257-Y278 HydrophobicContact CG-CD1 4.41Å; M257-Y278 HydrophobicContact SD-CD1 3.64Å; M257-Y278 HydrophobicContact SD-CE1 4.24Å; M257-Y278 HydrophobicContact SD-CG 4.09Å; F258-Y278 HydrophobicContact CB-CE2 4.25Å; E261-Y278 VanDerWaalsContact OE2-CE1 3.29Å; E261-Y278 WeakPolarHBondContact OE2-CE1 3.29Å; E261-Y278 PolarHBondContact OE2-OH 2.96Å; L274-Y278 HydrophobicContact CB-CD2 4.07Å; L274-Y278 HydrophobicContact CB-CE2 4.1Å; L274-Y278 WeakPolarHBondContact O-CD2 3.4Å; L274-Y278 PolarHBondContact O-N 2.9Å; A275-Y278 PolarHBondContact O-N 2.71Å
279S95.2Very high97.7Very high34 Ų3426.9 Ų26.924%0.23817%0.171CC..THydrogen-bonded Turntrans-91.61175.669.20000114A275 I277 L281 R284A275-S279 WeakPolarHBondContact O-CB 3.25Å; A275-S279 PolarHBondContact O-N 3.21Å; A275-S279 PolarHBondContact O-OG 2.9Å; I277-S279 VanDerWaalsContact C-N 3.28Å; I277-S279 PolarHBondContact O-N 2.83Å; S279-L281 VanDerWaalsContact C-N 3.34Å; S279-R284 PolarHBondContact O-NH2 3.41Å; S279-R284 VanDerWaalsContact O-NH2 3.17Å
280G95.8Very high97.7Very high30 Ų3031.4 Ų31.431%0.30919%0.187SC..THydrogen-bonded Turntrans70.126.2-176.700000114.2I277 R284I277-G280 PolarHBondContact O-N 2.83Å; G280-R284 PolarHBondContact O-N 3.42Å
281L97.4Very high97.6Very high2 Ų231.6 Ų31.61%0.0119%0.188CC..Hα-helixtrans-68.3-35.5177.1177.166000111.8M191 E244 A276 S279 R284 L285M191-L281 HydrophobicContact CE-CD2 3.54Å; M191-L281 HydrophobicContact SD-CD2 3.8Å; E244-L281 HydrophobicContact CB-CD2 3.75Å; E244-L281 HydrophobicContact CG-CD1 4.27Å; E244-L281 HydrophobicContact CG-CD2 3.91Å; A276-L281 HydrophobicContact CB-CB 4.42Å; A276-L281 HydrophobicContact CB-CD2 3.89Å; A276-L281 WeakPolarHBondContact O-CA 3.46Å; A276-L281 WeakPolarHBondContact O-CB 3.25Å; A276-L281 PolarHBondContact O-N 2.97Å; S279-L281 VanDerWaalsContact C-N 3.34Å; L281-R284 WeakPolarHBondContact O-CB 3.36Å; L281-R284 PolarHBondContact O-N 2.92Å; L281-R284 VanDerWaalsContact O-N 3.14Å; L281-L285 HydrophobicContact CD1-CD1 4.34Å; L281-L285 HydrophobicContact CD1-CD2 4.33Å; L281-L285 HydrophobicContact CD1-CG 3.99Å; L281-L285 HydrophobicContact CG-CD1 4.01Å; L281-L285 HydrophobicContact CG-CG 4.12Å; L281-L285 WeakPolarHBondContact O-CG 3.45Å; L281-L285 PolarHBondContact O-N 2.76Å
282I97.7Very high97.4Very high0 Ų035.4 Ų35.40%021%0.212CC..Hα-helixtrans-58.6-54.2179.2-55.6-58.1000112.1I189 A276 I277 R284 L285 Q286 L291 L295 L298I189-I282 HydrophobicContact CD1-CD1 3.47Å; I189-I282 VanDerWaalsContact CD1-CD1 3.47Å; A276-I282 HydrophobicContact CB-CD1 4.38Å; A276-I282 PolarHBondContact O-N 3.45Å; I277-I282 HydrophobicContact CG1-CG1 3.97Å; I282-R284 VanDerWaalsContact C-N 3.25Å; I282-R284 PolarHBondContact O-N 3.36Å; I282-L285 PolarHBondContact O-N 2.77Å; I282-Q286 PolarHBondContact O-N 2.75Å; I282-Q286 VanDerWaalsContact O-N 3.13Å; I282-L291 HydrophobicContact CG2-CD1 4.44Å; I282-L295 HydrophobicContact CG2-CD2 3.91Å; I282-L298 HydrophobicContact CD1-CD2 3.91Å; I282-L298 HydrophobicContact CG1-CD2 3.94Å
283P96.8Very high97.2Very high53 Ų5340.5 Ų40.534%0.34424%0.244SC..Hα-helixtrans-59.9-33173.5-25.334.8000113.8Q286 A287P283-Q286 WeakPolarHBondContact O-CB 3.38Å; P283-Q286 PolarHBondContact O-N 3.36Å; P283-A287 WeakPolarHBondContact O-CB 2.93Å; P283-A287 PolarHBondContact O-N 2.92Å
284R97.3Very high97Very high111 Ų11146.2 Ų46.242%0.41928%0.281SS..Hα-helixtrans-65.5-44.3177.8-168.7-171-52.2149.67111.7S279 G280 L281 I282 Q286 A287 Q288S279-R284 PolarHBondContact O-NH2 3.41Å; S279-R284 VanDerWaalsContact O-NH2 3.17Å; G280-R284 PolarHBondContact O-N 3.42Å; L281-R284 WeakPolarHBondContact O-CB 3.36Å; L281-R284 PolarHBondContact O-N 2.92Å; L281-R284 VanDerWaalsContact O-N 3.14Å; I282-R284 VanDerWaalsContact C-N 3.25Å; I282-R284 PolarHBondContact O-N 3.36Å; R284-Q286 VanDerWaalsContact C-N 3.31Å; R284-Q286 PolarHBondContact O-N 3.01Å; R284-A287 PolarHBondContact O-N 3.44Å; R284-Q288 WeakPolarHBondContact O-CB 3.34Å; R284-Q288 VanDerWaalsContact O-CG 3.26Å; R284-Q288 WeakPolarHBondContact O-CG 3.48Å; R284-Q288 PolarHBondContact O-N 3.29Å
285L98Very high96.8Very high0 Ų046.8 Ų46.80%028%0.284CS..Hα-helixtrans-64.4-36.5176-70.7175.1000111.7I189 I242 E244 L281 I282 Q288 G289 R290 L291I189-L285 HydrophobicContact CD1-CD1 4.2Å; I189-L285 HydrophobicContact CG2-CD1 4.44Å; I242-L285 HydrophobicContact CG2-CD1 4.09Å; I242-L285 HydrophobicContact CG2-CD2 3.99Å; E244-L285 HydrophobicContact CG-CD2 4.46Å; L281-L285 HydrophobicContact CD1-CD1 4.34Å; L281-L285 HydrophobicContact CD1-CD2 4.33Å; L281-L285 HydrophobicContact CD1-CG 3.99Å; L281-L285 HydrophobicContact CG-CD1 4.01Å; L281-L285 HydrophobicContact CG-CG 4.12Å; L281-L285 WeakPolarHBondContact O-CG 3.45Å; L281-L285 PolarHBondContact O-N 2.76Å; I282-L285 PolarHBondContact O-N 2.77Å; L285-Q288 PolarHBondContact O-N 3.01Å; L285-G289 PolarHBondContact O-N 2.87Å; L285-R290 HydrophobicContact CD2-CB 4.2Å; L285-R290 VanDerWaalsContact CD2-NH1 3.34Å; L285-R290 PolarHBondContact O-N 2.84Å; L285-L291 HydrophobicContact CB-CB 4.33Å; L285-L291 HydrophobicContact CB-CD1 3.7Å; L285-L291 HydrophobicContact CB-CG 3.9Å; L285-L291 HydrophobicContact CD1-CD1 3.88Å; L285-L291 HydrophobicContact CD1-CG 4.42Å; L285-L291 HydrophobicContact CG-CD1 4.47Å; L285-L291 PolarHBondContact O-N 3.36Å
286Q97.6Very high96.8Very high32 Ų3253.1 Ų53.115%0.1531%0.307CS..Hα-helixtrans-63.2-46.2171.9-74.3-176.7-6400112.3I282 P283 R284 Q288 G289 L291 P292 T293I282-Q286 PolarHBondContact O-N 2.75Å; I282-Q286 VanDerWaalsContact O-N 3.13Å; P283-Q286 WeakPolarHBondContact O-CB 3.38Å; P283-Q286 PolarHBondContact O-N 3.36Å; R284-Q286 VanDerWaalsContact C-N 3.31Å; R284-Q286 PolarHBondContact O-N 3.01Å; Q286-Q288 VanDerWaalsContact C-N 3.25Å; Q286-Q288 PolarHBondContact O-N 3.38Å; Q286-G289 PolarHBondContact O-N 3.36Å; Q286-L291 HydrophobicContact CG-CB 3.87Å; Q286-P292 PolarHBondContact NE2-O 3.49Å; Q286-T293 WeakPolarHBondContact CB-OG1 3.31Å
287A97.5Very high96.8Very high94 Ų9455 Ų5578%0.77732%0.319SS*.Hα-helixtrans-63.8-30.3176.800000112.8P283 R284 G289P283-A287 WeakPolarHBondContact O-CB 2.93Å; P283-A287 PolarHBondContact O-N 2.92Å; R284-A287 PolarHBondContact O-N 3.44Å; A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 3.42Å
288Q97.6Very high96.8Very high103 Ų10354.8 Ų54.848%0.48132%0.319SS..THydrogen-bonded Turntrans-79.9-2.4174.4-69.8172.50.300113.6R284 L285 Q286 R290R284-Q288 WeakPolarHBondContact O-CB 3.34Å; R284-Q288 VanDerWaalsContact O-CG 3.26Å; R284-Q288 WeakPolarHBondContact O-CG 3.48Å; R284-Q288 PolarHBondContact O-N 3.29Å; L285-Q288 PolarHBondContact O-N 3.01Å; Q286-Q288 VanDerWaalsContact C-N 3.25Å; Q286-Q288 PolarHBondContact O-N 3.38Å; Q288-R290 HydrophobicContact CB-CG 4.19Å; Q288-R290 PolarHBondContact O-N 3.38Å
289G97.3Very high96.8Very high65 Ų6553.5 Ų53.567%0.6731%0.314SS*.THydrogen-bonded Turntrans69.912.6-175.800000114.5L285 Q286 A287L285-G289 PolarHBondContact O-N 2.87Å; Q286-G289 PolarHBondContact O-N 3.36Å; A287-G289 VanDerWaalsContact C-N 3.26Å; A287-G289 PolarHBondContact O-N 3.42Å
290R97.4Very high97Very high102 Ų10251.9 Ų51.939%0.38530%0.302SS..SBendtrans-86.6-15.1178-66.6172.767.9-160.62.2112.6I242 E244 L285 Q288I242-R290 WeakPolarHBondContact CD1-O 3.47Å; E244-R290 IonicContact OE1-CZ 3.62Å; E244-R290 IonicContact OE1-NH1 2.73Å; E244-R290 PolarHBondContact OE1-NH1 2.99Å; E244-R290 IonicContact OE1-NH2 3.93Å; E244-R290 PolarHBondContact OE1-NH2 3.45Å; L285-R290 HydrophobicContact CD2-CB 4.2Å; L285-R290 VanDerWaalsContact CD2-NH1 3.34Å; L285-R290 PolarHBondContact O-N 2.84Å; Q288-R290 HydrophobicContact CB-CG 4.19Å; Q288-R290 PolarHBondContact O-N 3.38Å
291L97.6Very high97.1Very high5 Ų550.4 Ų50.43%0.02629%0.288CS..SBendtrans-129.9148.9168-73177000110.6A160 P187 I189 I242 I282 L285 Q286 L295A160-L291 HydrophobicContact CB-CD2 4.2Å; P187-L291 HydrophobicContact CB-CD2 4.4Å; P187-L291 HydrophobicContact CG-CD2 3.81Å; I189-L291 HydrophobicContact CD1-CD1 3.86Å; I242-L291 HydrophobicContact CD1-CD2 3.75Å; I242-L291 HydrophobicContact CD1-CG 4.16Å; I282-L291 HydrophobicContact CG2-CD1 4.44Å; L285-L291 HydrophobicContact CB-CB 4.33Å; L285-L291 HydrophobicContact CB-CD1 3.7Å; L285-L291 HydrophobicContact CB-CG 3.9Å; L285-L291 HydrophobicContact CD1-CD1 3.88Å; L285-L291 HydrophobicContact CD1-CG 4.42Å; L285-L291 HydrophobicContact CG-CD1 4.47Å; L285-L291 PolarHBondContact O-N 3.36Å; Q286-L291 HydrophobicContact CG-CB 3.87Å; L291-L295 HydrophobicContact CB-CD1 4.43Å; L291-L295 HydrophobicContact CD1-CD2 4.26Å; L291-L295 HydrophobicContact CD2-CD1 4.48Å
292P94.8Very high97.2Very high79 Ų7950.3 Ų50.351%0.51329%0.287SS..  trans-62.1149.9175.8-23.833.4000114.2Q286 P294 L295Q286-P292 PolarHBondContact NE2-O 3.49Å; P292-P294 CarbonylContact O-C 3.49Å; P292-L295 HydrophobicContact CG-CD1 4.47Å; P292-L295 PolarHBondContact O-N 2.96Å
293T94.4Very high97.2Very high107 Ų10750.7 Ų50.766%0.65629%0.29SS*.SBendtrans-129114.2171.5-54.50000108.9Q286Q286-T293 WeakPolarHBondContact CB-OG1 3.31Å
294P93.2Very high97.1Very high120 Ų12048.3 Ų48.378%0.77928%0.275SS*.SBendcis-72.3151.10.331.6-35.5000113P292P292-P294 CarbonylContact O-C 3.49Å
295L95.9Very high96.7Very high12 Ų1243.7 Ų43.76%0.06326%0.261CS..PPolyproline II helixtrans-90.2133.5175.4-169.262.6000109.8T23 I282 L291 P292T23-L295 WeakPolarHBondContact CB-O 3.36Å; T23-L295 HydrophobicContact CG2-CB 4.28Å; T23-L295 HydrophobicContact CG2-CD2 4.11Å; T23-L295 HydrophobicContact CG2-CG 4.4Å; T23-L295 PolarHBondContact OG1-O 3.11Å; I282-L295 HydrophobicContact CG2-CD2 3.91Å; L291-L295 HydrophobicContact CB-CD1 4.43Å; L291-L295 HydrophobicContact CD1-CD2 4.26Å; L291-L295 HydrophobicContact CD2-CD1 4.48Å; P292-L295 HydrophobicContact CG-CD1 4.47Å; P292-L295 PolarHBondContact O-N 2.96Å
296R96.9Very high96.1Very high134 Ų13444.8 Ų44.851%0.50627%0.269SS..PPolyproline II helixtrans-62.2170.4166-69.4-176.6-169.6-172.67.4110.5T23 L298T23-R296 PolarHBondContact OG1-O 3.46Å; R296-L298 PolarHBondContact O-N 2.95Å
297P97.9Very high95.3Very high39 Ų3944.5 Ų44.525%0.25327%0.271SS..PPolyproline II helixtrans-54.9139.2-175.8-27.735.6000113.7A24 Y26 P158 G159A24-P297 HydrophobicContact CB-CB 3.95Å; A24-P297 HydrophobicContact CB-CG 4.08Å; A24-P297 CarbonylContact O-C 3.47Å; A24-P297 WeakPolarHBondContact O-CA 3.3Å; Y26-P297 HydrophobicContact CD2-CB 3.61Å; Y26-P297 HydrophobicContact CE2-CB 3.4Å; Y26-P297 VanDerWaalsContact CE2-CB 3.4Å; Y26-P297 HydrophobicContact CE2-CG 3.88Å; P158-P297 CarbonylContact C-O 3.51Å; P158-P297 WeakPolarHBondContact CA-O 3.19Å; P158-P297 VanDerWaalsContact CB-O 3.26Å; P158-P297 WeakPolarHBondContact CB-O 3.44Å; G159-P297 PolarHBondContact N-O 3.49Å
298L98.4Very high95Very high0 Ų041 Ų410%024%0.239CC..EExtended strand (participates in β ladder)trans-83.9131.2176.3-176.465000109.6T23 A24 V25 Y26 A160 L162 I189 I277 I282 R296 V300T23-L298 HydrophobicContact CG2-CB 4.46Å; A24-L298 PolarHBondContact O-N 3.17Å; V25-L298 HydrophobicContact CG2-CB 4.32Å; V25-L298 HydrophobicContact CG2-CD2 4.39Å; Y26-L298 PolarHBondContact N-O 2.92Å; A160-L298 HydrophobicContact CB-CD1 3.7Å; L162-L298 HydrophobicContact CB-CD1 4.25Å; L162-L298 HydrophobicContact CD2-CD2 4.2Å; I189-L298 HydrophobicContact CD1-CD1 4.37Å; I277-L298 HydrophobicContact CD1-CD2 3.64Å; I277-L298 HydrophobicContact CG1-CD2 3.81Å; I282-L298 HydrophobicContact CD1-CD2 3.91Å; I282-L298 HydrophobicContact CG1-CD2 3.94Å; R296-L298 PolarHBondContact O-N 2.95Å; L298-V300 HydrophobicContact CD2-CG2 4.2Å; L298-V300 HydrophobicContact CG-CG2 4.14Å
299L98.8Very high94.7Very high1 Ų138 Ų381%0.00523%0.226CC..EExtended strand (participates in β ladder)trans-100.1117.4171.217664.2000109.6L11 Y26 K28 A148 P158 A160 V161 L162 I301L11-L299 HydrophobicContact CD1-CD1 3.51Å; Y26-L299 CarbonylContact O-C 3.54Å; K28-L299 HydrophobicContact CB-CD1 4.14Å; A148-L299 HydrophobicContact CB-CD1 4.19Å; A148-L299 HydrophobicContact CB-CD2 3.73Å; P158-L299 HydrophobicContact CB-CB 3.83Å; P158-L299 HydrophobicContact CG-CB 4.15Å; P158-L299 HydrophobicContact CG-CD2 4.46Å; A160-L299 PolarHBondContact O-N 2.78Å; V161-L299 CarbonylContact C-O 3.56Å; V161-L299 VanDerWaalsContact CA-O 3.3Å; V161-L299 WeakPolarHBondContact CA-O 3.49Å; V161-L299 HydrophobicContact CG1-CD2 4.39Å; V161-L299 HydrophobicContact CG1-CG 4.44Å; V161-L299 HydrophobicContact CG2-CB 4.31Å; V161-L299 HydrophobicContact CG2-CD2 4.13Å; L162-L299 PolarHBondContact N-O 2.82Å; L299-I301 HydrophobicContact CD2-CD1 4.4Å; L299-I301 HydrophobicContact CG-CD1 4.29Å
300V98.9Very high94.6Very high0 Ų040.1 Ų40.10%022%0.219CC..EExtended strand (participates in β ladder)trans-105.6123.8179-169.80000109.5V25 Y26 L27 K28 L162 L274 I277 L298 V302V25-V300 HydrophobicContact CG1-CG2 3.68Å; Y26-V300 PolarHBondContact O-N 3.13Å; L27-V300 HydrophobicContact CD2-CB 3.85Å; L27-V300 HydrophobicContact CD2-CG1 4.38Å; L27-V300 HydrophobicContact CD2-CG2 4.09Å; K28-V300 PolarHBondContact N-O 3.35Å; L162-V300 HydrophobicContact CB-CG1 4.41Å; L162-V300 HydrophobicContact CB-CG2 4.35Å; L162-V300 HydrophobicContact CD2-CG1 4.01Å; L162-V300 HydrophobicContact CD2-CG2 4Å; L162-V300 HydrophobicContact CG-CG1 4.23Å; L274-V300 HydrophobicContact CD2-CG1 4.15Å; I277-V300 HydrophobicContact CD1-CG2 3.66Å; L298-V300 HydrophobicContact CD2-CG2 4.2Å; L298-V300 HydrophobicContact CG-CG2 4.14Å; V300-V302 PolarHBondContact O-N 3.43Å
301I98.9Very high94.4Very high0 Ų042.5 Ų42.50%024%0.235CC..EExtended strand (participates in β ladder)trans-84.3101.4172.3-50.8-56.2000108.3K28 E30 V144 V161 L162 L163 L170 L299 C303K28-I301 HydrophobicContact CB-CD1 4.02Å; K28-I301 HydrophobicContact CG-CD1 4.35Å; E30-I301 HydrophobicContact CG-CG2 3.99Å; V144-I301 HydrophobicContact CG1-CD1 4.46Å; V144-I301 HydrophobicContact CG2-CD1 4.01Å; V161-I301 HydrophobicContact CG1-CD1 4.29Å; V161-I301 HydrophobicContact CG1-CG1 4.01Å; L162-I301 PolarHBondContact O-N 3.49Å; L163-I301 HydrophobicContact CB-CB 4.29Å; L163-I301 HydrophobicContact CB-CG1 4.31Å; L170-I301 HydrophobicContact CD1-CG2 4.42Å; L170-I301 HydrophobicContact CD2-CG2 4.09Å; L299-I301 HydrophobicContact CD2-CD1 4.4Å; L299-I301 HydrophobicContact CG-CD1 4.29Å; I301-C303 PolarHBondContact O-N 3.08Å
302V98.8Very high94.2Very high0 Ų044.8 Ų44.80%025%0.245CC..  trans-77.377.9176.6-174.80000108.1L27 K28 M29 E30 N31 F258 V266 V300 G304L27-V302 HydrophobicContact CB-CG2 3.88Å; L27-V302 HydrophobicContact CD2-CG2 4.07Å; L27-V302 HydrophobicContact CG-CG2 4.42Å; K28-V302 WeakPolarHBondContact O-CB 3.21Å; K28-V302 PolarHBondContact O-N 3.44Å; M29-V302 HydrophobicContact SD-CB 4.23Å; M29-V302 HydrophobicContact SD-CG1 4.42Å; M29-V302 HydrophobicContact SD-CG2 3.94Å; E30-V302 CarbonylContact C-O 3.48Å; E30-V302 WeakPolarHBondContact CA-O 3.25Å; E30-V302 VanDerWaalsContact CB-O 3.26Å; E30-V302 WeakPolarHBondContact CB-O 3.28Å; E30-V302 PolarHBondContact N-O 2.99Å; E30-V302 VanDerWaalsContact N-O 3.13Å; N31-V302 PolarHBondContact N-O 2.86Å; N31-V302 VanDerWaalsContact N-O 3.09Å; F258-V302 HydrophobicContact CE1-CG1 3.83Å; F258-V302 HydrophobicContact CZ-CG1 3.71Å; F258-V302 HydrophobicContact CZ-CG2 4.06Å; V266-V302 HydrophobicContact CG1-CG1 4.1Å; V300-V302 PolarHBondContact O-N 3.43Å; V302-G304 PolarHBondContact O-N 3.28Å
303C97.9Very high94.2Very high8 Ų841.2 Ų41.25%0.05422%0.222CC..  trans-57.9-20.2-169.167.80000113.9S37 F38 C270 I301S37-C303 VanDerWaalsContact CA-O 3.29Å; S37-C303 WeakPolarHBondContact CA-O 3.3Å; S37-C303 WeakPolarHBondContact CB-O 3.37Å; F38-C303 HydrophobicContact CD1-CB 3.65Å; F38-C303 HydrophobicContact CE1-CB 3.98Å; F38-C303 PolarHBondContact N-O 3.19Å; C270-C303 WeakPolarHBondContact CA-SG 3.15Å; C270-C303 WeakPolarHBondContact CB-SG 3.28Å; I301-C303 PolarHBondContact O-N 3.08Å
304G95.3Very high94.3Very high3 Ų339.7 Ų39.73%0.03121%0.209CC..BIsolated β-bridgetrans78.6-128.517400000112.1E267 C270 V302E267-G304 PolarHBondContact N-O 3.47Å; C270-G304 WeakPolarHBondContact CB-O 3.5Å; V302-G304 PolarHBondContact O-N 3.28Å
305G88.6Confident94.3Very high13 Ų1337.1 Ų37.113%0.13419%0.194CC..  trans130.8137-179.400000112.2G36 E267G36-G305 PolarHBondContact O-N 2.85Å; E267-G305 WeakPolarHBondContact OE1-CA 3.38Å
306S83.9Confident94.3Very high23 Ų2337.7 Ų37.716%0.16120%0.197CC..SBendtrans-99.3-2.9-176.759.50000113.4N64 R95 E267N64-S306 PolarHBondContact OD1-N 3.03Å; N64-S306 PolarHBondContact OD1-OG 3.47Å; R95-S306 PolarHBondContact NH1-O 3.29Å; E267-S306 PolarHBondContact OE1-N 3.2Å
307S82.6Confident94.2Very high27 Ų2733.5 Ų33.519%0.18918%0.183CC..SBendtrans-101.120-173.8-61.50000114.2E267 Q312E267-S307 WeakPolarHBondContact OE1-CB 3.36Å; E267-S307 PolarHBondContact OE1-N 3.06Å; S307-Q312 PolarHBondContact O-NE2 2.94Å; S307-Q312 PolarHBondContact O-OE1 3.38Å
308I90.5Very high94Very high21 Ų2137.8 Ų37.811%0.10820%0.2CC..  trans-120.8148.6176.2-165.868.5000111.1L265 E267 Q312 L313 L316L265-I308 HydrophobicContact CD1-CG1 4.07Å; L265-I308 HydrophobicContact CD2-CG1 4.1Å; L265-I308 HydrophobicContact CD2-CG2 4.19Å; L265-I308 HydrophobicContact CG-CG1 4.03Å; L265-I308 HydrophobicContact CG-CG2 3.86Å; E267-I308 HydrophobicContact CG-CB 3.88Å; E267-I308 HydrophobicContact CG-CG2 3.97Å; I308-Q312 HydrophobicContact CD1-CB 3.9Å; I308-L313 HydrophobicContact CD1-CB 4.47Å; I308-L316 HydrophobicContact CD1-CD1 3.97Å
309N91.7Very high93.8Very high38 Ų3842.9 Ų42.920%0.20322%0.222CC..  trans-153.8-178.6168.267.322.5000108.6E311 Q312 L313N309-E311 PolarHBondContact O-N 3.11Å; N309-E311 WeakPolarHBondContact OD1-CB 3.47Å; N309-E311 PolarHBondContact OD1-N 2.65Å; N309-Q312 PolarHBondContact O-N 3.28Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.35Å; N309-Q312 VanDerWaalsContact OD1-CG 3.31Å; N309-Q312 WeakPolarHBondContact OD1-CG 3.36Å; N309-Q312 PolarHBondContact OD1-N 3.42Å; N309-Q312 PolarHBondContact OD1-OE1 3.12Å; N309-L313 WeakPolarHBondContact O-CB 3.38Å; N309-L313 PolarHBondContact O-N 3.01Å
310M94.3Very high93.5Very high110 Ų11044 Ų4454%0.54223%0.228SC..Hα-helixtrans-61-40.7-179.1-70.9-55.6-65.700113.6L313 I314M310-L313 PolarHBondContact O-N 2.92Å; M310-I314 VanDerWaalsContact O-CG1 3.29Å; M310-I314 WeakPolarHBondContact O-CG1 3.38Å; M310-I314 PolarHBondContact O-N 3.33Å
311E93.6Very high92.6Very high152 Ų15251.6 Ų51.671%0.7126%0.263SS*.Hα-helixtrans-63.5-45178.7-176.2-177.6-179.100111.2N309 I314 S315N309-E311 PolarHBondContact O-N 3.11Å; N309-E311 WeakPolarHBondContact OD1-CB 3.47Å; N309-E311 PolarHBondContact OD1-N 2.65Å; E311-I314 PolarHBondContact O-N 2.99Å; E311-S315 WeakPolarHBondContact O-CB 3.29Å; E311-S315 PolarHBondContact O-N 3.49Å
312Q92.3Very high90.5Very high53 Ų5358.3 Ų58.325%0.24831%0.311CS..Hα-helixtrans-65.4-39.3176.8-66.6173.5-66.300111.6S307 I308 N309 S315 L316S307-Q312 PolarHBondContact O-NE2 2.94Å; S307-Q312 PolarHBondContact O-OE1 3.38Å; I308-Q312 HydrophobicContact CD1-CB 3.9Å; N309-Q312 PolarHBondContact O-N 3.28Å; N309-Q312 WeakPolarHBondContact OD1-CB 3.35Å; N309-Q312 VanDerWaalsContact OD1-CG 3.31Å; N309-Q312 WeakPolarHBondContact OD1-CG 3.36Å; N309-Q312 PolarHBondContact OD1-N 3.42Å; N309-Q312 PolarHBondContact OD1-OE1 3.12Å; Q312-S315 PolarHBondContact O-N 3.31Å; Q312-L316 WeakPolarHBondContact O-CB 3.25Å; Q312-L316 VanDerWaalsContact O-CG 3.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.27Å; Q312-L316 PolarHBondContact O-N 3.41Å
313L95.2Very high90Very high4 Ų461.3 Ų61.32%0.02133%0.326CS..Hα-helixtrans-62.2-45.1175.7-179.463.7000111.5L252 V255 Q256 L259 L265 I308 N309 M310 L316 Q317L252-L313 HydrophobicContact CD1-CD1 3.59Å; V255-L313 HydrophobicContact CG1-CD1 3.95Å; Q256-L313 HydrophobicContact CG-CD1 4.38Å; L259-L313 HydrophobicContact CD2-CD2 4.06Å; L265-L313 HydrophobicContact CD1-CD2 3.98Å; I308-L313 HydrophobicContact CD1-CB 4.47Å; N309-L313 WeakPolarHBondContact O-CB 3.38Å; N309-L313 PolarHBondContact O-N 3.01Å; M310-L313 PolarHBondContact O-N 2.92Å; L313-L316 PolarHBondContact O-N 2.85Å; L313-Q317 VanDerWaalsContact O-CG 3.3Å; L313-Q317 WeakPolarHBondContact O-CG 3.31Å; L313-Q317 PolarHBondContact O-N 3.06Å
314I95.9Very high89.6Confident76 Ų7664.1 Ų64.139%0.3934%0.34SS..Hα-helixtrans-64.1-42.3176.6-67.6164.6000110.7M310 E311 L316 Q317 Q318M310-I314 VanDerWaalsContact O-CG1 3.29Å; M310-I314 WeakPolarHBondContact O-CG1 3.38Å; M310-I314 PolarHBondContact O-N 3.33Å; E311-I314 PolarHBondContact O-N 2.99Å; I314-L316 PolarHBondContact O-N 3.34Å; I314-Q317 WeakPolarHBondContact O-CB 3.48Å; I314-Q317 PolarHBondContact O-N 2.93Å; I314-Q318 WeakPolarHBondContact O-CG 3.46Å; I314-Q318 PolarHBondContact O-N 3.01Å
315S94.4Very high89.3Confident66 Ų6667.4 Ų67.446%0.46236%0.358SS..Hα-helixtrans-61.2-43176.8-179.40000112.1E311 Q312 Q317 Q318 K319E311-S315 WeakPolarHBondContact O-CB 3.29Å; E311-S315 PolarHBondContact O-N 3.49Å; Q312-S315 PolarHBondContact O-N 3.31Å; S315-Q317 VanDerWaalsContact C-N 3.34Å; S315-Q317 PolarHBondContact O-N 2.91Å; S315-Q318 PolarHBondContact O-N 3.47Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 PolarHBondContact O-N 3.39Å
316L95.1Very high89.3Confident23 Ų2370.6 Ų70.612%0.1237%0.371CS..Hα-helixtrans-62.8-40174.7-73.6167.7000111.9E217 L252 M268 I308 Q312 L313 I314 K319 L320E217-L316 HydrophobicContact CB-CD2 3.76Å; E217-L316 HydrophobicContact CG-CD2 4.11Å; L252-L316 HydrophobicContact CD1-CB 4.09Å; L252-L316 HydrophobicContact CD2-CB 4.49Å; M268-L316 HydrophobicContact CG-CD1 3.74Å; M268-L316 HydrophobicContact SD-CD1 4.11Å; I308-L316 HydrophobicContact CD1-CD1 3.97Å; Q312-L316 WeakPolarHBondContact O-CB 3.25Å; Q312-L316 VanDerWaalsContact O-CG 3.3Å; Q312-L316 WeakPolarHBondContact O-CG 3.27Å; Q312-L316 PolarHBondContact O-N 3.41Å; L313-L316 PolarHBondContact O-N 2.85Å; I314-L316 PolarHBondContact O-N 3.34Å; L316-K319 PolarHBondContact O-N 2.97Å; L316-L320 WeakPolarHBondContact O-CB 3.42Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.09Å
317Q94.5Very high89.7Confident47 Ų4773.6 Ų73.622%0.2238%0.384CS..Hα-helixtrans-60.3-48175.5-71.5167.710.900111.7L252 Q256 L313 I314 S315 K319 L320 Q321L252-Q317 HydrophobicContact CD1-CG 4.44Å; L252-Q317 HydrophobicContact CD2-CB 4.45Å; L252-Q317 HydrophobicContact CD2-CG 3.99Å; Q256-Q317 VanDerWaalsContact NE2-CD 3.33Å; L313-Q317 VanDerWaalsContact O-CG 3.3Å; L313-Q317 WeakPolarHBondContact O-CG 3.31Å; L313-Q317 PolarHBondContact O-N 3.06Å; I314-Q317 WeakPolarHBondContact O-CB 3.48Å; I314-Q317 PolarHBondContact O-N 2.93Å; S315-Q317 VanDerWaalsContact C-N 3.34Å; S315-Q317 PolarHBondContact O-N 2.91Å; Q317-K319 VanDerWaalsContact C-N 3.33Å; Q317-K319 PolarHBondContact O-N 3.33Å; Q317-L320 PolarHBondContact O-N 3Å; Q317-Q321 VanDerWaalsContact O-CB 3.28Å; Q317-Q321 WeakPolarHBondContact O-CB 3.42Å; Q317-Q321 WeakPolarHBondContact O-CG 3.41Å; Q317-Q321 PolarHBondContact O-N 3.21Å; Q317-Q321 VanDerWaalsContact O-N 3.11Å
318Q94.9Very high90.2Very high129 Ų12976.7 Ų76.760%0.60340%0.397SS*.Hα-helixtrans-62.3-42.4178.8-69.8171.4-9.700111.7I314 S315 S322I314-Q318 WeakPolarHBondContact O-CG 3.46Å; I314-Q318 PolarHBondContact O-N 3.01Å; S315-Q318 PolarHBondContact O-N 3.47Å; Q318-S322 PolarHBondContact O-N 2.86Å
319K93.8Very high90.1Very high106 Ų10680.7 Ų80.746%0.46142%0.418SS..Hα-helixtrans-70-33.5-178.1-173.1175.5-179.7-178.80113.7E217 S315 L316 Q317 S322E217-K319 VanDerWaalsContact CD-CE 3.47Å; E217-K319 HydrophobicContact CG-CD 4.42Å; E217-K319 WeakPolarHBondContact OE1-CE 3.43Å; E217-K319 IonicContact OE1-NZ 2.84Å; E217-K319 PolarHBondContact OE1-NZ 3.21Å; E217-K319 IonicContact OE2-NZ 2.65Å; E217-K319 PolarHBondContact OE2-NZ 3.03Å; S315-K319 WeakPolarHBondContact O-CB 3.43Å; S315-K319 PolarHBondContact O-N 3.39Å; L316-K319 PolarHBondContact O-N 2.97Å; Q317-K319 VanDerWaalsContact C-N 3.33Å; Q317-K319 PolarHBondContact O-N 3.33Å; K319-S322 PolarHBondContact O-OG 2.79Å
320L92.3Very high90Very high25 Ų2584 Ų8413%0.13143%0.434CS..Hα-helixtrans-95.1-6.1-176.6-65.3176.3000113.7E217 D248 Q249 L252 M268 L316 Q317E217-L320 HydrophobicContact CG-CD2 4.07Å; D248-L320 HydrophobicContact CB-CD1 3.84Å; D248-L320 HydrophobicContact CB-CD2 3.88Å; Q249-L320 HydrophobicContact CG-CB 4.34Å; Q249-L320 PolarHBondContact NE2-O 3.19Å; L252-L320 HydrophobicContact CB-CD1 4.05Å; L252-L320 HydrophobicContact CD2-CB 4.23Å; L252-L320 HydrophobicContact CD2-CD1 3.83Å; M268-L320 HydrophobicContact CE-CD1 4.09Å; L316-L320 WeakPolarHBondContact O-CB 3.42Å; L316-L320 WeakPolarHBondContact O-CG 3.35Å; L316-L320 PolarHBondContact O-N 3.09Å; Q317-L320 PolarHBondContact O-N 3Å
321Q79.6Confident89.7Confident159 Ų15981.8 Ų81.874%0.74343%0.425SS*.Hα-helixtrans-92.3-18.6171.2-75.2176.8-5.400113.5Q317Q317-Q321 VanDerWaalsContact O-CB 3.28Å; Q317-Q321 WeakPolarHBondContact O-CB 3.42Å; Q317-Q321 WeakPolarHBondContact O-CG 3.41Å; Q317-Q321 PolarHBondContact O-N 3.21Å; Q317-Q321 VanDerWaalsContact O-N 3.11Å
322S54.5Low89.3Confident142 Ų14275.5 Ų75.599%0.99340%0.399SS*.  trans-82.10173.561.90000112Q318 K319Q318-S322 PolarHBondContact O-N 2.86Å; K319-S322 PolarHBondContact O-OG 2.79Å

Retrieved 322 of 322 residues in 315.8 ms (Link to these results)

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