A0A077Z386_TRITR Loading...

Oxidoreductase, short chain

AlphaFold DB , UniProt , Accession A0A077Z386, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 293 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
1M74.6Confident87.2Confident194 Ų194108.3 Ų108.396%0.95657%0.574SS**  0-50.80-168.6166.86000111V3 A4 I5M1-V3 PolarHBondContact O-N 2.9Å; M1-A4 PolarHBondContact O-N 3.09Å; M1-I5 HydrophobicContact CG-CD1 3.98Å; M1-I5 WeakPolarHBondContact O-CG1 3.45Å; M1-I5 PolarHBondContact O-N 3.26Å; M1-I5 VanDerWaalsContact O-N 3.11Å
2E84.6Confident87.6Confident161 Ų161103.2 Ų103.275%0.75256%0.559SS**Hα-helixtrans-55-48.8178.2-66.2180168.900114A4 I5 S6E2-A4 VanDerWaalsContact C-N 3.28Å; E2-A4 PolarHBondContact O-N 3.43Å; E2-I5 PolarHBondContact O-N 3.23Å; E2-I5 VanDerWaalsContact O-N 3.09Å; E2-S6 PolarHBondContact O-N 3.11Å; E2-S6 PolarHBondContact O-OG 2.96Å
3V86.3Confident87.8Confident124 Ų124105.7 Ų105.775%0.75256%0.564SS**Hα-helixtrans-57.1-40.4178.4179.10000112.4M1 F7M1-V3 PolarHBondContact O-N 2.9Å; V3-F7 WeakPolarHBondContact O-CB 3.34Å; V3-F7 PolarHBondContact O-N 3.31Å
4A85.1Confident88Confident48 Ų48104.1 Ų104.140%0.39757%0.565SS.*Hα-helixtrans-67.5-42.717800000111.2M1 E2 F7 F8M1-A4 PolarHBondContact O-N 3.09Å; E2-A4 VanDerWaalsContact C-N 3.28Å; E2-A4 PolarHBondContact O-N 3.43Å; A4-F7 PolarHBondContact O-N 2.92Å; A4-F8 WeakPolarHBondContact O-CD2 3.48Å; A4-F8 PolarHBondContact O-N 3.29Å
5I87.9Confident88.3Confident86 Ų86101.1 Ų101.144%0.44156%0.561SS.*Hα-helixtrans-61-47.8176.4-66168.9000110.3M1 E2 F7 F8 Q9M1-I5 HydrophobicContact CG-CD1 3.98Å; M1-I5 WeakPolarHBondContact O-CG1 3.45Å; M1-I5 PolarHBondContact O-N 3.26Å; M1-I5 VanDerWaalsContact O-N 3.11Å; E2-I5 PolarHBondContact O-N 3.23Å; E2-I5 VanDerWaalsContact O-N 3.09Å; I5-F7 VanDerWaalsContact C-N 3.32Å; I5-F7 PolarHBondContact O-N 2.89Å; I5-F8 PolarHBondContact O-N 3.3Å; I5-Q9 HydrophobicContact CG2-CG 4.4Å; I5-Q9 WeakPolarHBondContact O-CB 3.32Å; I5-Q9 VanDerWaalsContact O-CG 3.32Å; I5-Q9 WeakPolarHBondContact O-CG 3.33Å; I5-Q9 PolarHBondContact O-N 3.41Å
6S88.3Confident88.4Confident69 Ų69100.7 Ų100.748%0.48356%0.556SS.*Hα-helixtrans-61.8-38.8177.3-58.40000112.4E2 Q9 A10E2-S6 PolarHBondContact O-N 3.11Å; E2-S6 PolarHBondContact O-OG 2.96Å; S6-Q9 PolarHBondContact O-N 3.2Å; S6-A10 WeakPolarHBondContact O-CB 3.05Å; S6-A10 PolarHBondContact O-N 3.48Å
7F90.1Very high88.3Confident124 Ų12496.6 Ų96.654%0.54454%0.542SS..Hα-helixtrans-64-46.6175.4179.1-101.9000112.1V3 A4 I5 Q9 A10 L11V3-F7 WeakPolarHBondContact O-CB 3.34Å; V3-F7 PolarHBondContact O-N 3.31Å; A4-F7 PolarHBondContact O-N 2.92Å; I5-F7 VanDerWaalsContact C-N 3.32Å; I5-F7 PolarHBondContact O-N 2.89Å; F7-Q9 PolarHBondContact O-N 3.49Å; F7-A10 PolarHBondContact O-N 2.95Å; F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CD1-CG 4.48Å; F7-L11 HydrophobicContact CE1-CD1 3.31Å; F7-L11 HydrophobicContact CE1-CG 4.11Å; F7-L11 HydrophobicContact CE2-CD1 4.47Å; F7-L11 HydrophobicContact CE2-CG 4.49Å; F7-L11 HydrophobicContact CZ-CD1 3.65Å; F7-L11 HydrophobicContact CZ-CD2 4.42Å; F7-L11 HydrophobicContact CZ-CG 4.11Å; F7-L11 PolarHBondContact O-N 3.45Å
8F90.6Very high88.3Confident140 Ų14099.7 Ų99.761%0.61455%0.549SS*.Hα-helixtrans-64.6-38.2176.1-76.6-64.7000112.5A4 I5 L11 A12A4-F8 WeakPolarHBondContact O-CD2 3.48Å; A4-F8 PolarHBondContact O-N 3.29Å; I5-F8 PolarHBondContact O-N 3.3Å; F8-L11 PolarHBondContact O-N 2.9Å; F8-A12 WeakPolarHBondContact O-CB 3.4Å; F8-A12 PolarHBondContact O-N 3.34Å
9Q89.7Confident88.4Confident106 Ų106101.3 Ų101.350%0.49555%0.55SS..Hα-helixtrans-62.4-43.7173.2-75.4174-30.800111.9I5 S6 F7 A12 H13I5-Q9 HydrophobicContact CG2-CG 4.4Å; I5-Q9 WeakPolarHBondContact O-CB 3.32Å; I5-Q9 VanDerWaalsContact O-CG 3.32Å; I5-Q9 WeakPolarHBondContact O-CG 3.33Å; I5-Q9 PolarHBondContact O-N 3.41Å; S6-Q9 PolarHBondContact O-N 3.2Å; F7-Q9 PolarHBondContact O-N 3.49Å; Q9-A12 PolarHBondContact O-N 3.45Å; Q9-H13 PolarHBondContact O-N 2.9Å; Q9-H13 PolarHBondContact O-ND1 3.48Å
10A90.5Very high88.2Confident51 Ų51101.5 Ų101.542%0.42155%0.55SS.*Hα-helixtrans-61.9-47.217600000111.5S6 F7 A12 H13 S14S6-A10 WeakPolarHBondContact O-CB 3.05Å; S6-A10 PolarHBondContact O-N 3.48Å; F7-A10 PolarHBondContact O-N 2.95Å; A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 2.95Å; A10-H13 PolarHBondContact O-N 3.43Å; A10-S14 WeakPolarHBondContact O-CB 3.23Å; A10-S14 PolarHBondContact O-N 2.83Å; A10-S14 PolarHBondContact O-OG 3.48Å; A10-S14 VanDerWaalsContact O-OG 3.1Å
11L92.1Very high87.8Confident88 Ų88100.1 Ų100.146%0.46155%0.548SS..Hα-helixtrans-59.6-42.4175.3-74.5179.1000112.3F7 F8 S14 A15F7-L11 HydrophobicContact CD1-CD1 3.9Å; F7-L11 HydrophobicContact CD1-CG 4.48Å; F7-L11 HydrophobicContact CE1-CD1 3.31Å; F7-L11 HydrophobicContact CE1-CG 4.11Å; F7-L11 HydrophobicContact CE2-CD1 4.47Å; F7-L11 HydrophobicContact CE2-CG 4.49Å; F7-L11 HydrophobicContact CZ-CD1 3.65Å; F7-L11 HydrophobicContact CZ-CD2 4.42Å; F7-L11 HydrophobicContact CZ-CG 4.11Å; F7-L11 PolarHBondContact O-N 3.45Å; F8-L11 PolarHBondContact O-N 2.9Å; L11-S14 PolarHBondContact O-N 3.41Å; L11-A15 VanDerWaalsContact O-CB 3.32Å; L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 3.41Å
12A91.4Very high88.4Confident47 Ų4796 Ų9639%0.38853%0.525SS..Hα-helixtrans-63.7-46.4177.100000111.6F8 Q9 A10 S14 A15 I16F8-A12 WeakPolarHBondContact O-CB 3.4Å; F8-A12 PolarHBondContact O-N 3.34Å; Q9-A12 PolarHBondContact O-N 3.45Å; A10-A12 VanDerWaalsContact C-N 3.33Å; A10-A12 PolarHBondContact O-N 2.95Å; A12-S14 PolarHBondContact O-N 3.1Å; A12-A15 PolarHBondContact O-N 2.87Å; A12-I16 WeakPolarHBondContact O-CB 3.47Å; A12-I16 VanDerWaalsContact O-CG1 3.23Å; A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 3.32Å
13H90.5Very high88.4Confident136 Ų13690.9 Ų90.963%0.6350%0.504SS*.Hα-helixtrans-62.8-40.4175.5-69.2157.6000112.3Q9 A10 G17Q9-H13 PolarHBondContact O-N 2.9Å; Q9-H13 PolarHBondContact O-ND1 3.48Å; A10-H13 PolarHBondContact O-N 3.43Å; H13-G17 PolarHBondContact O-N 3.44Å
14S90.8Very high88.1Confident83 Ų8391.4 Ų91.458%0.5850%0.499SS*.Hα-helixtrans-64.4-41.4174.4-63.60000112.2A10 L11 A12 G17 F18A10-S14 WeakPolarHBondContact O-CB 3.23Å; A10-S14 PolarHBondContact O-N 2.83Å; A10-S14 PolarHBondContact O-OG 3.48Å; A10-S14 VanDerWaalsContact O-OG 3.1Å; L11-S14 PolarHBondContact O-N 3.41Å; A12-S14 PolarHBondContact O-N 3.1Å; S14-G17 PolarHBondContact O-N 3.24Å; S14-F18 VanDerWaalsContact O-CB 3.31Å; S14-F18 WeakPolarHBondContact O-CB 3.44Å; S14-F18 PolarHBondContact O-N 2.86Å
15A91.4Very high87.8Confident60 Ų6096.7 Ų96.750%0.49651%0.513SS..Hα-helixtrans-67.1-42.4177.100000112.1L11 A12 F18 F19L11-A15 VanDerWaalsContact O-CB 3.32Å; L11-A15 WeakPolarHBondContact O-CB 3.32Å; L11-A15 PolarHBondContact O-N 3.41Å; A12-A15 PolarHBondContact O-N 2.87Å; A15-F18 PolarHBondContact O-N 2.86Å; A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 2.83Å
16I91Very high87.6Confident94 Ų9496.7 Ų96.748%0.48252%0.517SS..Hα-helixtrans-62.2-47.8173.6-68.6164.5000109.9A12 F18 F19 L20A12-I16 WeakPolarHBondContact O-CB 3.47Å; A12-I16 VanDerWaalsContact O-CG1 3.23Å; A12-I16 WeakPolarHBondContact O-CG1 3.44Å; A12-I16 PolarHBondContact O-N 3.32Å; I16-F18 PolarHBondContact O-N 3.45Å; I16-F19 PolarHBondContact O-N 2.85Å; I16-L20 HydrophobicContact CG2-CD1 3.88Å; I16-L20 HydrophobicContact CG2-CG 4.26Å; I16-L20 WeakPolarHBondContact O-CB 3.36Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.47Å
17G85.5Confident87.5Confident31 Ų3197.5 Ų97.532%0.3252%0.519SS..Hα-helixtrans-58.6-46.717700000112H13 S14 F19 L20 S21H13-G17 PolarHBondContact O-N 3.44Å; S14-G17 PolarHBondContact O-N 3.24Å; G17-F19 PolarHBondContact O-N 3.29Å; G17-L20 PolarHBondContact O-N 3.38Å; G17-S21 WeakPolarHBondContact O-CB 3.33Å; G17-S21 PolarHBondContact O-N 3.13Å; G17-S21 PolarHBondContact O-OG 3.09Å
18F88.5Confident87.3Confident153 Ų15393.6 Ų93.667%0.67151%0.51SS*.Hα-helixtrans-60-45.4175.3-180-94000112S14 A15 I16 S21 F22S14-F18 VanDerWaalsContact O-CB 3.31Å; S14-F18 WeakPolarHBondContact O-CB 3.44Å; S14-F18 PolarHBondContact O-N 2.86Å; A15-F18 PolarHBondContact O-N 2.86Å; I16-F18 PolarHBondContact O-N 3.45Å; F18-S21 PolarHBondContact O-N 3.11Å; F18-F22 VanDerWaalsContact O-CB 3.24Å; F18-F22 WeakPolarHBondContact O-CB 3.46Å; F18-F22 PolarHBondContact O-N 2.89Å
19F90.3Very high87.3Confident129 Ų12997.3 Ų97.357%0.56652%0.52SS*.Hα-helixtrans-63.3-45177.8180-99.4000111.8A15 I16 G17 F22 V23A15-F19 WeakPolarHBondContact O-CB 3.32Å; A15-F19 PolarHBondContact O-N 2.83Å; I16-F19 PolarHBondContact O-N 2.85Å; G17-F19 PolarHBondContact O-N 3.29Å; F19-F22 PolarHBondContact O-N 3.45Å; F19-V23 HydrophobicContact CD1-CG2 4.15Å; F19-V23 HydrophobicContact CE1-CG2 3.73Å; F19-V23 HydrophobicContact CE2-CG2 4.16Å; F19-V23 HydrophobicContact CZ-CG2 3.74Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.3Å; F19-V23 PolarHBondContact O-N 3.44Å
20L85.9Confident87.5Confident106 Ų10695.2 Ų95.256%0.55552%0.515SS*.Hα-helixtrans-62.4-46.3176.9-70.4175.8000111.6I16 G17 F22 V23 E24I16-L20 HydrophobicContact CG2-CD1 3.88Å; I16-L20 HydrophobicContact CG2-CG 4.26Å; I16-L20 WeakPolarHBondContact O-CB 3.36Å; I16-L20 VanDerWaalsContact O-CG 3.32Å; I16-L20 WeakPolarHBondContact O-CG 3.45Å; I16-L20 PolarHBondContact O-N 3.47Å; G17-L20 PolarHBondContact O-N 3.38Å; L20-F22 VanDerWaalsContact C-N 3.3Å; L20-F22 PolarHBondContact O-N 3.26Å; L20-V23 PolarHBondContact O-N 2.87Å; L20-E24 WeakPolarHBondContact O-CB 3.47Å; L20-E24 PolarHBondContact O-N 3.11Å
21S79.7Confident87.7Confident72 Ų7295.4 Ų95.450%0.50351%0.507SS..Hα-helixtrans-63.6-35.2175-64.20000112.4G17 F18 F25G17-S21 WeakPolarHBondContact O-CB 3.33Å; G17-S21 PolarHBondContact O-N 3.13Å; G17-S21 PolarHBondContact O-OG 3.09Å; F18-S21 PolarHBondContact O-N 3.11Å; S21-F25 VanDerWaalsContact O-CB 3.27Å; S21-F25 WeakPolarHBondContact O-CB 3.24Å; S21-F25 PolarHBondContact O-N 3.33Å
22F85.5Confident88Confident108 Ų10895.4 Ų95.447%0.47451%0.514SS..Hα-helixtrans-66.9-44.7174.4-179.6-99.5000111.5F18 F19 L20 F25 V26F18-F22 VanDerWaalsContact O-CB 3.24Å; F18-F22 WeakPolarHBondContact O-CB 3.46Å; F18-F22 PolarHBondContact O-N 2.89Å; F19-F22 PolarHBondContact O-N 3.45Å; L20-F22 VanDerWaalsContact C-N 3.3Å; L20-F22 PolarHBondContact O-N 3.26Å; F22-F25 WeakPolarHBondContact O-CB 3.31Å; F22-F25 PolarHBondContact O-N 2.94Å; F22-V26 HydrophobicContact CE1-CG1 4.07Å; F22-V26 HydrophobicContact CE2-CG1 4.15Å; F22-V26 HydrophobicContact CZ-CG1 3.87Å; F22-V26 WeakPolarHBondContact O-CG1 3.31Å; F22-V26 WeakPolarHBondContact O-CG2 3.48Å; F22-V26 PolarHBondContact O-N 3.36Å
23V84.6Confident88.3Confident53 Ų5393.4 Ų93.432%0.32150%0.497SS..Hα-helixtrans-60.8-47.1174.5170.80000110.5F19 L20 F25 V26 T27F19-V23 HydrophobicContact CD1-CG2 4.15Å; F19-V23 HydrophobicContact CE1-CG2 3.73Å; F19-V23 HydrophobicContact CE2-CG2 4.16Å; F19-V23 HydrophobicContact CZ-CG2 3.74Å; F19-V23 VanDerWaalsContact O-CG2 3.31Å; F19-V23 WeakPolarHBondContact O-CG2 3.3Å; F19-V23 PolarHBondContact O-N 3.44Å; L20-V23 PolarHBondContact O-N 2.87Å; V23-F25 VanDerWaalsContact C-N 3.32Å; V23-F25 PolarHBondContact O-N 3.02Å; V23-V26 WeakPolarHBondContact O-CG2 3.47Å; V23-V26 PolarHBondContact O-N 3.34Å; V23-T27 HydrophobicContact CG1-CG2 4.15Å; V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.3Å; V23-T27 VanDerWaalsContact O-CG2 3.3Å; V23-T27 WeakPolarHBondContact O-CG2 3.31Å; V23-T27 PolarHBondContact O-N 2.89Å; V23-T27 PolarHBondContact O-OG1 2.86Å
24E80.5Confident88.7Confident135 Ų13590.3 Ų90.363%0.63149%0.488SS*.Hα-helixtrans-57.9-46175.8-174.4175.7-168.800110.7L20 V26 T27 A28L20-E24 WeakPolarHBondContact O-CB 3.47Å; L20-E24 PolarHBondContact O-N 3.11Å; E24-V26 PolarHBondContact O-N 2.97Å; E24-T27 PolarHBondContact O-N 2.98Å; E24-A28 WeakPolarHBondContact O-CA 3.38Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 3.42Å
25F79.5Confident89.1Confident160 Ų16091.5 Ų91.570%0.70249%0.487SS*.Hα-helixtrans-59.6-45.4177176.6-99.9000113.3S21 F22 V23S21-F25 VanDerWaalsContact O-CB 3.27Å; S21-F25 WeakPolarHBondContact O-CB 3.24Å; S21-F25 PolarHBondContact O-N 3.33Å; F22-F25 WeakPolarHBondContact O-CB 3.31Å; F22-F25 PolarHBondContact O-N 2.94Å; V23-F25 VanDerWaalsContact C-N 3.32Å; V23-F25 PolarHBondContact O-N 3.02Å
26V84.1Confident89.4Confident86 Ų8694.5 Ų94.552%0.52149%0.486SS..Hα-helixtrans-78.7-21.3-178.6-58.60000113.4F22 V23 E24F22-V26 HydrophobicContact CE1-CG1 4.07Å; F22-V26 HydrophobicContact CE2-CG1 4.15Å; F22-V26 HydrophobicContact CZ-CG1 3.87Å; F22-V26 WeakPolarHBondContact O-CG1 3.31Å; F22-V26 WeakPolarHBondContact O-CG2 3.48Å; F22-V26 PolarHBondContact O-N 3.36Å; V23-V26 WeakPolarHBondContact O-CG2 3.47Å; V23-V26 PolarHBondContact O-N 3.34Å; E24-V26 PolarHBondContact O-N 2.97Å
27T85.7Confident89.8Confident86 Ų8690.3 Ų90.353%0.52846%0.464SS..Hα-helixtrans-99.5-12.5179.760.30000113.5V23 E24 R29V23-T27 HydrophobicContact CG1-CG2 4.15Å; V23-T27 VanDerWaalsContact O-CB 3.31Å; V23-T27 WeakPolarHBondContact O-CB 3.3Å; V23-T27 VanDerWaalsContact O-CG2 3.3Å; V23-T27 WeakPolarHBondContact O-CG2 3.31Å; V23-T27 PolarHBondContact O-N 2.89Å; V23-T27 PolarHBondContact O-OG1 2.86Å; E24-T27 PolarHBondContact O-N 2.98Å; T27-R29 PolarHBondContact O-N 2.83Å
28A85.6Confident90.4Very high42 Ų4288.8 Ų88.835%0.34745%0.449SS..  trans-54.1128.5-179.100000110.7E24 Y273E24-A28 WeakPolarHBondContact O-CA 3.38Å; E24-A28 WeakPolarHBondContact O-CB 3.45Å; E24-A28 PolarHBondContact O-N 3.42Å; A28-Y273 HydrophobicContact CB-CD1 3.97Å; A28-Y273 HydrophobicContact CB-CE1 4.33Å
29R90.1Very high90.9Very high217 Ų21781.5 Ų81.582%0.81942%0.417SS*.  trans-109.4138.8174.2-63.1-65.2-175.5165.2-1.1108.2T27 K31T27-R29 PolarHBondContact O-N 2.83Å; R29-K31 PolarHBondContact O-N 3.04Å
30P94.3Very high91.3Very high63 Ų6375.4 Ų75.441%0.40939%0.39SS..PPolyproline II helixtrans-62.7133.9173.128.1-33.7000108.9L272 Y273P30-L272 WeakPolarHBondContact CA-O 3.42Å; P30-L272 HydrophobicContact CB-CB 3.85Å; P30-L272 HydrophobicContact CB-CD1 4.32Å; P30-Y273 HydrophobicContact CB-CE1 4.38Å; P30-Y273 HydrophobicContact CB-CE2 4.48Å
31K95.8Very high91.9Very high55 Ų5570.4 Ų70.424%0.23936%0.364CS..PPolyproline II helixtrans-66.4149173.272.4-173.7175-175.20110.9R29 H167 V271 L272 E274R29-K31 PolarHBondContact O-N 3.04Å; K31-H167 PolarHBondContact NZ-ND1 2.98Å; K31-V271 WeakPolarHBondContact CE-O 3.39Å; K31-L272 PolarHBondContact N-O 3.45Å; K31-L272 WeakPolarHBondContact O-CD2 3.36Å; K31-E274 HydrophobicContact CD-CG 3.91Å; K31-E274 VanDerWaalsContact CD-OE1 3.25Å; K31-E274 WeakPolarHBondContact CD-OE1 3.49Å; K31-E274 IonicContact NZ-OE1 3.77Å; K31-E274 PolarHBondContact NZ-OE1 3.01Å
32S97.4Very high92.7Very high87 Ų8767.7 Ų67.761%0.60835%0.348SS*.PPolyproline II helixtrans-75.7136173.7-177.60000111V34S32-V34 PolarHBondContact OG-N 2.86Å
33V98.3Very high93.3Very high6 Ų662.5 Ų62.54%0.03633%0.325CS..  trans-114.69.4174.7-65.90000112.7D35 R36 I38 F55 L58 A60 I117 L272V33-D35 PolarHBondContact O-N 3.48Å; V33-R36 WeakPolarHBondContact O-CB 3.46Å; V33-R36 PolarHBondContact O-N 3.16Å; V33-R36 VanDerWaalsContact O-N 3.09Å; V33-I38 HydrophobicContact CB-CD1 4.29Å; V33-I38 HydrophobicContact CG1-CD1 4.34Å; V33-F55 HydrophobicContact CG1-CE1 4.3Å; V33-F55 HydrophobicContact CG2-CD1 4.16Å; V33-L58 HydrophobicContact CG2-CB 3.66Å; V33-L58 HydrophobicContact CG2-CD1 4.14Å; V33-A60 HydrophobicContact CB-CB 4.3Å; V33-A60 HydrophobicContact CG2-CB 4.36Å; V33-A60 WeakPolarHBondContact O-CA 3.31Å; V33-A60 WeakPolarHBondContact O-CB 3.5Å; V33-I117 HydrophobicContact CG1-CD1 4.16Å; V33-L272 HydrophobicContact CG1-CD2 3.69Å; V33-L272 HydrophobicContact CG2-CD2 4.16Å
34V98.4Very high93.9Very high71 Ų7160.2 Ų60.243%0.4331%0.311SS..THydrogen-bonded Turntrans-57.6128.3176.8-179.40000109.5S32 R36 K59S32-V34 PolarHBondContact OG-N 2.86Å; V34-R36 PolarHBondContact O-N 2.66Å; V34-K59 HydrophobicContact CG1-CB 4.21Å; V34-K59 HydrophobicContact CG2-CB 4.34Å
35D98.1Very high94.6Very high107 Ų10757.4 Ų57.457%0.57230%0.298SS*.THydrogen-bonded Turntrans58.87.7-177.6-63.3-50.5000116V33 K59V33-D35 PolarHBondContact O-N 3.48Å; D35-K59 PolarHBondContact N-O 3.24Å
36R98.4Very high95.3Very high123 Ų12351 Ų5146%0.46428%0.277SS..  trans-75142.1175.8-62.1-61-178.6175.7-7111V33 V34 K61 D116V33-R36 WeakPolarHBondContact O-CB 3.46Å; V33-R36 PolarHBondContact O-N 3.16Å; V33-R36 VanDerWaalsContact O-N 3.09Å; V34-R36 PolarHBondContact O-N 2.66Å; R36-K61 PolarHBondContact O-N 3.48Å; R36-D116 WeakPolarHBondContact CA-OD2 3.37Å; R36-D116 HydrophobicContact CB-CB 4.08Å; R36-D116 VanDerWaalsContact CD-CG 3.47Å; R36-D116 WeakPolarHBondContact CD-OD2 3.38Å; R36-D116 IonicContact NH1-OD1 3.41Å; R36-D116 PolarHBondContact NH1-OD1 3.26Å; R36-D116 VanDerWaalsContact NH1-OD1 3.08Å
37V98.8Very high95.8Very high6 Ų648 Ų484%0.03626%0.258CS..EExtended strand (participates in β ladder)trans-86.2115177-179.60000109.2V39 K61 V63 I106 L112 D116 I117V37-V39 HydrophobicContact CG1-CG2 4.39Å; V37-K61 WeakPolarHBondContact CA-O 3.31Å; V37-V63 HydrophobicContact CG1-CG2 3.99Å; V37-I106 HydrophobicContact CG1-CG2 4.32Å; V37-L112 HydrophobicContact CG1-CD2 4.28Å; V37-L112 HydrophobicContact CG2-CB 4.31Å; V37-L112 HydrophobicContact CG2-CD2 4.1Å; V37-D116 PolarHBondContact N-OD2 3.1Å; V37-D116 PolarHBondContact O-N 2.91Å; V37-I117 PolarHBondContact O-N 2.86Å; V37-I117 VanDerWaalsContact O-N 3.16Å
38I98.9Very high96.4Very high0 Ų044 Ų440%023%0.234CC..EExtended strand (participates in β ladder)trans-115.3111.2-179.5-55.5-174.7000108.9V33 I40 F55 A60 K61 V62 V63 I117 I119V33-I38 HydrophobicContact CB-CD1 4.29Å; V33-I38 HydrophobicContact CG1-CD1 4.34Å; I38-I40 HydrophobicContact CG2-CD1 4.14Å; I38-I40 HydrophobicContact CG2-CG1 3.98Å; I38-F55 HydrophobicContact CD1-CB 3.9Å; I38-F55 HydrophobicContact CD1-CD1 3.42Å; I38-F55 VanDerWaalsContact CD1-CD1 3.42Å; I38-F55 HydrophobicContact CD1-CD2 4Å; I38-F55 HydrophobicContact CD1-CE1 3.89Å; I38-F55 HydrophobicContact CD1-CE2 4.41Å; I38-F55 HydrophobicContact CD1-CG 3.5Å; I38-F55 VanDerWaalsContact CD1-CG 3.5Å; I38-F55 HydrophobicContact CD1-CZ 4.37Å; I38-F55 HydrophobicContact CG2-CD2 4.17Å; I38-F55 HydrophobicContact CG2-CE2 4.48Å; I38-A60 HydrophobicContact CD1-CB 3.65Å; I38-A60 HydrophobicContact CG1-CB 4.13Å; I38-K61 PolarHBondContact N-O 2.9Å; I38-V62 HydrophobicContact CB-CG1 4.46Å; I38-V62 CarbonylContact O-C 3.59Å; I38-V62 WeakPolarHBondContact O-CA 3.21Å; I38-V63 PolarHBondContact O-N 2.8Å; I38-I117 CarbonylContact C-O 3.54Å; I38-I117 WeakPolarHBondContact CA-O 3.32Å; I38-I117 HydrophobicContact CB-CB 4.42Å; I38-I117 HydrophobicContact CD1-CD1 4Å; I38-I117 HydrophobicContact CG1-CB 4.05Å; I38-I117 HydrophobicContact CG1-CD1 4.21Å; I38-I117 HydrophobicContact CG1-CG1 4.25Å; I38-I117 HydrophobicContact CG2-CB 4.12Å; I38-I117 HydrophobicContact CG2-CG2 4.27Å; I38-I119 HydrophobicContact CG2-CD1 4.01Å; I38-I119 HydrophobicContact CG2-CG1 4.31Å
39V98.9Very high96.9Very high0 Ų044.7 Ų44.70%023%0.229CC..EExtended strand (participates in β ladder)trans-94.1130.6178.9-178.80000109.7V37 V63 L65 I106 A115 I117 V118 I119 F156V37-V39 HydrophobicContact CG1-CG2 4.39Å; V39-V63 WeakPolarHBondContact CA-O 3.42Å; V39-V63 HydrophobicContact CG2-CB 4.09Å; V39-V63 HydrophobicContact CG2-CG2 4.44Å; V39-L65 HydrophobicContact CG1-CD1 3.4Å; V39-L65 HydrophobicContact CG1-CG 3.88Å; V39-I106 HydrophobicContact CG1-CD1 4.31Å; V39-I106 HydrophobicContact CG2-CD1 4.16Å; V39-I106 HydrophobicContact CG2-CG2 4.3Å; V39-A115 HydrophobicContact CG2-CB 3.6Å; V39-I117 PolarHBondContact N-O 2.81Å; V39-V118 HydrophobicContact CB-CG2 4.29Å; V39-V118 CarbonylContact O-C 3.57Å; V39-V118 WeakPolarHBondContact O-CA 3.5Å; V39-I119 PolarHBondContact O-N 3.36Å; V39-F156 HydrophobicContact CB-CZ 4.38Å; V39-F156 HydrophobicContact CG1-CE2 4.1Å; V39-F156 HydrophobicContact CG1-CZ 3.8Å; V39-F156 HydrophobicContact CG2-CE1 4.05Å; V39-F156 HydrophobicContact CG2-CZ 4.16Å
40I98.9Very high97.3Very high0 Ų037 Ų370%020%0.203CC..EExtended strand (participates in β ladder)trans-132.4120.5-176.1-52.8169000108.9I38 A43 V51 A52 V63 L65 I119I38-I40 HydrophobicContact CG2-CD1 4.14Å; I38-I40 HydrophobicContact CG2-CG1 3.98Å; I40-A43 HydrophobicContact CB-CB 4.09Å; I40-A43 HydrophobicContact CG2-CB 3.99Å; I40-A43 WeakPolarHBondContact O-CB 3.5Å; I40-V51 HydrophobicContact CD1-CG1 4.09Å; I40-A52 HydrophobicContact CD1-CB 3.61Å; I40-V63 PolarHBondContact N-O 3.29Å; I40-L65 WeakPolarHBondContact O-CB 3.45Å; I40-L65 PolarHBondContact O-N 2.97Å; I40-I119 HydrophobicContact CD1-CD1 4.41Å; I40-I119 HydrophobicContact CG1-CB 4.15Å; I40-I119 HydrophobicContact CG1-CD1 4.1Å; I40-I119 HydrophobicContact CG1-CG1 4.24Å; I40-I119 HydrophobicContact CG2-CB 4.31Å
41T98.7Very high97.5Very high1 Ų134.1 Ų34.11%0.00618%0.184CC..EExtended strand (participates in β ladder)trans-87.2147.7172.664.80000111A43 L65 V93 I119 S121 A122 T152T41-A43 VanDerWaalsContact C-N 3.3Å; T41-L65 CarbonylContact C-O 3.59Å; T41-L65 WeakPolarHBondContact CA-O 3.49Å; T41-L65 HydrophobicContact CG2-CB 4.38Å; T41-L65 HydrophobicContact CG2-CD1 4.33Å; T41-V93 HydrophobicContact CG2-CG1 4Å; T41-I119 PolarHBondContact N-O 2.83Å; T41-I119 PolarHBondContact OG1-O 3.45Å; T41-S121 CarbonylContact O-C 3.36Å; T41-S121 VanDerWaalsContact O-CB 3.28Å; T41-S121 WeakPolarHBondContact O-CB 3.48Å; T41-S121 PolarHBondContact OG1-N 2.84Å; T41-A122 PolarHBondContact O-N 3.11Å; T41-A122 VanDerWaalsContact O-N 3.15Å; T41-A122 PolarHBondContact OG1-N 3.47Å; T41-A122 VanDerWaalsContact OG1-N 3.1Å; T41-T152 HydrophobicContact CG2-CG2 3.79Å
42G97.3Very high97.7Very high15 Ų1531.5 Ų31.516%0.15517%0.172CC..SBendtrans70.133-176.200000111.5L65 D66G42-L65 PolarHBondContact N-O 2.82Å; G42-D66 VanDerWaalsContact CA-OD2 3.23Å; G42-D66 WeakPolarHBondContact CA-OD2 3.25Å
43A97.9Very high97.7Very high0 Ų029 Ų290%016%0.157CC..THydrogen-bonded Turntrans-89.3-2.1-169.600000114.1I40 T41 Q45 K49 L64 L65 D66I40-A43 HydrophobicContact CB-CB 4.09Å; I40-A43 HydrophobicContact CG2-CB 3.99Å; I40-A43 WeakPolarHBondContact O-CB 3.5Å; T41-A43 VanDerWaalsContact C-N 3.3Å; A43-Q45 VanDerWaalsContact C-N 3.3Å; A43-Q45 PolarHBondContact O-N 2.83Å; A43-K49 VanDerWaalsContact O-CA 3.27Å; A43-K49 WeakPolarHBondContact O-CA 3.5Å; A43-K49 VanDerWaalsContact O-CB 3.3Å; A43-K49 WeakPolarHBondContact O-CB 3.36Å; A43-L64 HydrophobicContact CB-CB 3.63Å; A43-L64 HydrophobicContact CB-CD2 4.11Å; A43-L64 HydrophobicContact CB-CG 3.7Å; A43-L65 PolarHBondContact N-O 2.78Å; A43-D66 PolarHBondContact N-OD2 3.27Å
44A96.9Very high97.7Very high4 Ų430 Ų303%0.03316%0.161CC..THydrogen-bonded Turntrans-73.3-20.9179.100000113.4D66 M71 N72A44-D66 HydrophobicContact CB-CB 3.72Å; A44-D66 VanDerWaalsContact CB-OD2 3.23Å; A44-D66 WeakPolarHBondContact CB-OD2 3.35Å; A44-D66 PolarHBondContact N-OD2 3.18Å; A44-M71 HydrophobicContact CB-CB 3.8Å; A44-N72 HydrophobicContact CB-CB 4.02Å
45Q94.9Very high97.8Very high76 Ų7626.7 Ų26.736%0.35514%0.14SC..SBendtrans-154.4172.8-176.663.8176.237.900113.8A43 K49 M71 N226A43-Q45 VanDerWaalsContact C-N 3.3Å; A43-Q45 PolarHBondContact O-N 2.83Å; Q45-K49 PolarHBondContact O-N 3.3Å; Q45-M71 HydrophobicContact CB-CE 3.97Å; Q45-M71 VanDerWaalsContact OE1-CE 3.27Å; Q45-N226 PolarHBondContact OE1-ND2 2.93Å
46G93.8Very high97.8Very high25 Ų2521.6 Ų21.626%0.25811%0.114SC..Hα-helixtrans58.5-140.9171.300000113.5G48 K49 E50 V260G46-G48 VanDerWaalsContact C-N 3.33Å; G46-G48 PolarHBondContact O-N 3.25Å; G46-K49 PolarHBondContact O-N 3.43Å; G46-E50 PolarHBondContact O-N 2.87Å; G46-V260 VanDerWaalsContact C-CG1 3.49Å; G46-V260 WeakPolarHBondContact O-CG1 3.32Å
47I95.3Very high97.8Very high24 Ų2419.3 Ų19.312%0.12312%0.121CC..Hα-helixtrans-59.7-43.2-176.9-62.5166.3000111.1K49 E50 V51 P220 T223 T225 T263 V267I47-K49 PolarHBondContact O-N 3.05Å; I47-E50 PolarHBondContact O-N 3.42Å; I47-V51 HydrophobicContact CG2-CG2 3.91Å; I47-V51 WeakPolarHBondContact O-CB 3.34Å; I47-V51 WeakPolarHBondContact O-CG2 3.25Å; I47-V51 PolarHBondContact O-N 3.03Å; I47-P220 HydrophobicContact CD1-CG 4.46Å; I47-T223 HydrophobicContact CD1-CG2 4.3Å; I47-T223 HydrophobicContact CG1-CG2 4.18Å; I47-T225 HydrophobicContact CG1-CG2 4.25Å; I47-T263 HydrophobicContact CD1-CG2 3.66Å; I47-T263 HydrophobicContact CG1-CG2 3.95Å; I47-T263 HydrophobicContact CG2-CG2 4.41Å; I47-V267 HydrophobicContact CG2-CG2 4.22Å
48G97.2Very high97.8Very high2 Ų222.4 Ų22.42%0.02114%0.137CC..Hα-helixtrans-59.9-46.4-177.800000112.8G46 A52G46-G48 VanDerWaalsContact C-N 3.33Å; G46-G48 PolarHBondContact O-N 3.25Å; G48-A52 PolarHBondContact O-N 2.9Å
49K97.6Very high97.7Very high57 Ų5728.5 Ų28.525%0.24816%0.163CC..Hα-helixtrans-60.5-48.6176.2178.1177.7174.6-178.60112.3A43 Q45 G46 I47 A52 A53 A75 E78A43-K49 VanDerWaalsContact O-CA 3.27Å; A43-K49 WeakPolarHBondContact O-CA 3.5Å; A43-K49 VanDerWaalsContact O-CB 3.3Å; A43-K49 WeakPolarHBondContact O-CB 3.36Å; Q45-K49 PolarHBondContact O-N 3.3Å; G46-K49 PolarHBondContact O-N 3.43Å; I47-K49 PolarHBondContact O-N 3.05Å; K49-A52 WeakPolarHBondContact O-CB 3.25Å; K49-A52 PolarHBondContact O-N 2.99Å; K49-A53 PolarHBondContact O-N 3.26Å; K49-A75 HydrophobicContact CD-CB 3.93Å; K49-A75 HydrophobicContact CG-CB 4.04Å; K49-E78 WeakPolarHBondContact CE-OE2 3.36Å; K49-E78 IonicContact NZ-OE1 3.59Å; K49-E78 IonicContact NZ-OE2 2.62Å; K49-E78 PolarHBondContact NZ-OE2 2.99Å
50E98.1Very high97.7Very high56 Ų5628.5 Ų28.526%0.26216%0.163SC..Hα-helixtrans-68.4-37.2-176.8-174.961.8-153.800111.7G46 I47 A52 A53 K54 V260 A264G46-E50 PolarHBondContact O-N 2.87Å; I47-E50 PolarHBondContact O-N 3.42Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 3.35Å; E50-A53 PolarHBondContact O-N 2.82Å; E50-K54 WeakPolarHBondContact O-CG 3.28Å; E50-K54 PolarHBondContact O-N 3.23Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.09Å; E50-V260 HydrophobicContact CB-CG1 3.68Å; E50-V260 HydrophobicContact CG-CG1 4.16Å; E50-A264 HydrophobicContact CB-CB 3.65Å; E50-A264 HydrophobicContact CG-CB 3.29Å
51V98.5Very high97.7Very high2 Ų230.8 Ų30.81%0.01217%0.173CC..Hα-helixtrans-61.4-42.3171.91700000110.8I40 I47 K54 F55 I119 A264 V267I40-V51 HydrophobicContact CD1-CG1 4.09Å; I47-V51 HydrophobicContact CG2-CG2 3.91Å; I47-V51 WeakPolarHBondContact O-CB 3.34Å; I47-V51 WeakPolarHBondContact O-CG2 3.25Å; I47-V51 PolarHBondContact O-N 3.03Å; V51-K54 PolarHBondContact O-N 3.2Å; V51-F55 HydrophobicContact CG1-CD2 3.59Å; V51-F55 HydrophobicContact CG1-CE2 3.51Å; V51-F55 VanDerWaalsContact O-CD2 3.29Å; V51-F55 WeakPolarHBondContact O-CD2 3.49Å; V51-F55 PolarHBondContact O-N 2.89Å; V51-I119 HydrophobicContact CG1-CD1 3.78Å; V51-A264 HydrophobicContact CG2-CB 3.71Å; V51-V267 HydrophobicContact CG1-CG1 4.15Å; V51-V267 HydrophobicContact CG2-CB 3.81Å; V51-V267 HydrophobicContact CG2-CG1 3.76Å; V51-V267 HydrophobicContact CG2-CG2 4.23Å
52A98.8Very high97.7Very high0 Ų030.7 Ų30.70%017%0.173CC..Hα-helixtrans-60.6-46.4175.200000111.6I40 G48 K49 E50 K54 F55 A56 V62 L64 I79I40-A52 HydrophobicContact CD1-CB 3.61Å; G48-A52 PolarHBondContact O-N 2.9Å; K49-A52 WeakPolarHBondContact O-CB 3.25Å; K49-A52 PolarHBondContact O-N 2.99Å; E50-A52 VanDerWaalsContact C-N 3.33Å; E50-A52 PolarHBondContact O-N 3.35Å; A52-K54 PolarHBondContact O-N 3.2Å; A52-F55 PolarHBondContact O-N 3.09Å; A52-A56 WeakPolarHBondContact O-CB 3.43Å; A52-A56 PolarHBondContact O-N 3.34Å; A52-V62 HydrophobicContact CB-CB 4.41Å; A52-V62 HydrophobicContact CB-CG2 4.36Å; A52-V62 WeakPolarHBondContact O-CG1 3.48Å; A52-L64 HydrophobicContact CB-CD1 4.15Å; A52-L64 HydrophobicContact CB-CD2 4.37Å; A52-L64 HydrophobicContact CB-CG 4.11Å; A52-I79 HydrophobicContact CB-CD1 3.79Å
53A98.7Very high97.8Very high34 Ų3430 Ų3028%0.28117%0.165SC..Hα-helixtrans-60.4-45.4177.800000112.3K49 E50 A56 A57 I79K49-A53 PolarHBondContact O-N 3.26Å; E50-A53 PolarHBondContact O-N 2.82Å; A53-A56 PolarHBondContact O-N 3.19Å; A53-A57 PolarHBondContact O-N 3.42Å; A53-I79 HydrophobicContact CB-CD1 4.41Å; A53-I79 HydrophobicContact CB-CG1 4.12Å
54K98.5Very high97.9Very high28 Ų2830 Ų3012%0.12217%0.165CC..Hα-helixtrans-64.3-41.4178.5-71.6-179.5-177.7-65.20112.7E50 V51 A52 A57 L58 E261 A264 Q265 V268E50-K54 WeakPolarHBondContact O-CG 3.28Å; E50-K54 PolarHBondContact O-N 3.23Å; E50-K54 WeakPolarHBondContact OE1-CE 3.42Å; E50-K54 IonicContact OE1-NZ 3.09Å; V51-K54 PolarHBondContact O-N 3.2Å; A52-K54 PolarHBondContact O-N 3.2Å; K54-A57 WeakPolarHBondContact O-CB 3.2Å; K54-A57 PolarHBondContact O-N 3.18Å; K54-L58 WeakPolarHBondContact O-CG 3.46Å; K54-L58 PolarHBondContact O-N 2.98Å; K54-E261 WeakPolarHBondContact CE-O 3.13Å; K54-E261 IonicContact NZ-OE1 2.81Å; K54-A264 HydrophobicContact CD-CB 3.97Å; K54-Q265 HydrophobicContact CD-CB 4.4Å; K54-V268 HydrophobicContact CB-CG2 3.75Å; K54-V268 HydrophobicContact CD-CG2 4.22Å
55F98.8Very high97.9Very high0 Ų029.8 Ų29.80%016%0.164CC..Hα-helixtrans-67.5-37.7175.1-83.2-56.2000113V33 I38 V51 A52 A57 L58 K59 A60 V62 I119 V268 V271 L272V33-F55 HydrophobicContact CG1-CE1 4.3Å; V33-F55 HydrophobicContact CG2-CD1 4.16Å; I38-F55 HydrophobicContact CD1-CB 3.9Å; I38-F55 HydrophobicContact CD1-CD1 3.42Å; I38-F55 VanDerWaalsContact CD1-CD1 3.42Å; I38-F55 HydrophobicContact CD1-CD2 4Å; I38-F55 HydrophobicContact CD1-CE1 3.89Å; I38-F55 HydrophobicContact CD1-CE2 4.41Å; I38-F55 HydrophobicContact CD1-CG 3.5Å; I38-F55 VanDerWaalsContact CD1-CG 3.5Å; I38-F55 HydrophobicContact CD1-CZ 4.37Å; I38-F55 HydrophobicContact CG2-CD2 4.17Å; I38-F55 HydrophobicContact CG2-CE2 4.48Å; V51-F55 HydrophobicContact CG1-CD2 3.59Å; V51-F55 HydrophobicContact CG1-CE2 3.51Å; V51-F55 VanDerWaalsContact O-CD2 3.29Å; V51-F55 WeakPolarHBondContact O-CD2 3.49Å; V51-F55 PolarHBondContact O-N 2.89Å; A52-F55 PolarHBondContact O-N 3.09Å; F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 3.5Å; F55-L58 HydrophobicContact CD1-CD1 4.36Å; F55-L58 CarbonylContact O-C 3.37Å; F55-L58 WeakPolarHBondContact O-CA 3.49Å; F55-L58 WeakPolarHBondContact O-CB 3.43Å; F55-L58 PolarHBondContact O-N 2.91Å; F55-L58 VanDerWaalsContact O-N 3.07Å; F55-K59 PolarHBondContact O-N 2.96Å; F55-A60 HydrophobicContact CB-CB 4.17Å; F55-A60 VanDerWaalsContact O-CB 3.29Å; F55-A60 WeakPolarHBondContact O-CB 3.2Å; F55-A60 PolarHBondContact O-N 2.76Å; F55-A60 VanDerWaalsContact O-N 3.1Å; F55-V62 HydrophobicContact CB-CG1 3.76Å; F55-I119 HydrophobicContact CD2-CD1 4.31Å; F55-I119 HydrophobicContact CE2-CD1 3.66Å; F55-V268 HydrophobicContact CD2-CG2 4.21Å; F55-V268 HydrophobicContact CE1-CG1 4.1Å; F55-V268 HydrophobicContact CE1-CG2 4.38Å; F55-V268 HydrophobicContact CE2-CG2 3.93Å; F55-V268 HydrophobicContact CZ-CB 4.34Å; F55-V268 HydrophobicContact CZ-CG1 4.32Å; F55-V268 HydrophobicContact CZ-CG2 4.01Å; F55-V271 HydrophobicContact CE1-CG1 4.27Å; F55-V271 HydrophobicContact CZ-CB 3.85Å; F55-V271 HydrophobicContact CZ-CG1 3.72Å; F55-V271 HydrophobicContact CZ-CG2 4.28Å; F55-L272 HydrophobicContact CE1-CD2 4.32Å
56A98.7Very high98.1Very high1 Ų127.2 Ų27.21%0.00815%0.152CC..Hα-helixtrans-64.1-36.3174.800000112A52 A53 L58 K59 V62 I79A52-A56 WeakPolarHBondContact O-CB 3.43Å; A52-A56 PolarHBondContact O-N 3.34Å; A53-A56 PolarHBondContact O-N 3.19Å; A56-L58 PolarHBondContact O-N 3.4Å; A56-K59 WeakPolarHBondContact O-CA 3.27Å; A56-K59 PolarHBondContact O-N 3.41Å; A56-V62 HydrophobicContact CB-CG1 4.31Å; A56-V62 HydrophobicContact CB-CG2 4.01Å; A56-I79 HydrophobicContact CB-CG2 3.3Å
57A98.4Very high98.3Very high74 Ų7430.5 Ų30.561%0.61216%0.163SC*.Hα-helixtrans-61.9-31.317200000112.4A53 K54 F55 K59A53-A57 PolarHBondContact O-N 3.42Å; K54-A57 WeakPolarHBondContact O-CB 3.2Å; K54-A57 PolarHBondContact O-N 3.18Å; F55-A57 VanDerWaalsContact C-N 3.3Å; F55-A57 PolarHBondContact O-N 3.5Å; A57-K59 PolarHBondContact O-N 3.12Å
58L98.3Very high98.4Very high72 Ų7232.4 Ų32.438%0.37717%0.174SC..THydrogen-bonded Turntrans-81.614.4172-61.1173.8000113.8V33 K54 F55 A56 A60 V268 L272V33-L58 HydrophobicContact CG2-CB 3.66Å; V33-L58 HydrophobicContact CG2-CD1 4.14Å; K54-L58 WeakPolarHBondContact O-CG 3.46Å; K54-L58 PolarHBondContact O-N 2.98Å; F55-L58 HydrophobicContact CD1-CD1 4.36Å; F55-L58 CarbonylContact O-C 3.37Å; F55-L58 WeakPolarHBondContact O-CA 3.49Å; F55-L58 WeakPolarHBondContact O-CB 3.43Å; F55-L58 PolarHBondContact O-N 2.91Å; F55-L58 VanDerWaalsContact O-N 3.07Å; A56-L58 PolarHBondContact O-N 3.4Å; L58-A60 VanDerWaalsContact C-N 3.28Å; L58-A60 PolarHBondContact O-N 3.35Å; L58-V268 HydrophobicContact CD1-CG1 3.91Å; L58-L272 HydrophobicContact CD1-CD1 3.9Å; L58-L272 HydrophobicContact CD1-CD2 4.42Å
59K98.4Very high98.4Very high127 Ų12735.7 Ų35.755%0.55220%0.196SC*.THydrogen-bonded Turntrans64.824.4178.6-48.7-57.3-177.9-175.20114.6V34 D35 F55 A56 A57V34-K59 HydrophobicContact CG1-CB 4.21Å; V34-K59 HydrophobicContact CG2-CB 4.34Å; D35-K59 PolarHBondContact N-O 3.24Å; F55-K59 PolarHBondContact O-N 2.96Å; A56-K59 WeakPolarHBondContact O-CA 3.27Å; A56-K59 PolarHBondContact O-N 3.41Å; A57-K59 PolarHBondContact O-N 3.12Å
60A98.7Very high98.4Very high0 Ų040.4 Ų40.40%022%0.219CC..  trans-76.6157.2166.700000111.3V33 I38 F55 L58 V62V33-A60 HydrophobicContact CB-CB 4.3Å; V33-A60 HydrophobicContact CG2-CB 4.36Å; V33-A60 WeakPolarHBondContact O-CA 3.31Å; V33-A60 WeakPolarHBondContact O-CB 3.5Å; I38-A60 HydrophobicContact CD1-CB 3.65Å; I38-A60 HydrophobicContact CG1-CB 4.13Å; F55-A60 HydrophobicContact CB-CB 4.17Å; F55-A60 VanDerWaalsContact O-CB 3.29Å; F55-A60 WeakPolarHBondContact O-CB 3.2Å; F55-A60 PolarHBondContact O-N 2.76Å; F55-A60 VanDerWaalsContact O-N 3.1Å; L58-A60 VanDerWaalsContact C-N 3.28Å; L58-A60 PolarHBondContact O-N 3.35Å; A60-V62 HydrophobicContact CB-CG1 4.49Å
61K98.8Very high98.4Very high48 Ų4841.1 Ų41.121%0.20922%0.223CC..EExtended strand (participates in β ladder)trans-92.5103.2169-61178.4-179177.40108.1R36 V37 I38 C85 D111 L112R36-K61 PolarHBondContact O-N 3.48Å; V37-K61 WeakPolarHBondContact CA-O 3.31Å; I38-K61 PolarHBondContact N-O 2.9Å; K61-C85 HydrophobicContact CG-CB 4.39Å; K61-D111 PolarHBondContact NZ-O 3.09Å; K61-L112 HydrophobicContact CB-CD2 4.02Å; K61-L112 HydrophobicContact CD-CD2 4.23Å
62V98.9Very high98.4Very high0 Ų041 Ų410%022%0.223CC..EExtended strand (participates in β ladder)trans-91135.4-176.9-62.30000111.1I38 A52 F55 A56 A60 L64 I79 C85 A86 Y87I38-V62 HydrophobicContact CB-CG1 4.46Å; I38-V62 CarbonylContact O-C 3.59Å; I38-V62 WeakPolarHBondContact O-CA 3.21Å; A52-V62 HydrophobicContact CB-CB 4.41Å; A52-V62 HydrophobicContact CB-CG2 4.36Å; A52-V62 WeakPolarHBondContact O-CG1 3.48Å; F55-V62 HydrophobicContact CB-CG1 3.76Å; A56-V62 HydrophobicContact CB-CG1 4.31Å; A56-V62 HydrophobicContact CB-CG2 4.01Å; A60-V62 HydrophobicContact CB-CG1 4.49Å; V62-L64 HydrophobicContact CB-CD1 4.17Å; V62-L64 HydrophobicContact CG2-CD1 3.67Å; V62-I79 HydrophobicContact CG2-CD1 4.24Å; V62-I79 HydrophobicContact CG2-CG2 4.35Å; V62-C85 WeakPolarHBondContact CG2-O 3.42Å; V62-C85 PolarHBondContact N-O 3.09Å; V62-A86 HydrophobicContact CG2-CB 3.68Å; V62-A86 WeakPolarHBondContact O-CA 3.28Å; V62-Y87 PolarHBondContact O-N 3.45Å
63V98.9Very high98.4Very high0 Ų042.8 Ų42.80%024%0.237CC..EExtended strand (participates in β ladder)trans-115.6109.1176.5-177.60000108V37 I38 V39 I40 L65 Y87 F89 I106 L112V37-V63 HydrophobicContact CG1-CG2 3.99Å; I38-V63 PolarHBondContact O-N 2.8Å; V39-V63 WeakPolarHBondContact CA-O 3.42Å; V39-V63 HydrophobicContact CG2-CB 4.09Å; V39-V63 HydrophobicContact CG2-CG2 4.44Å; I40-V63 PolarHBondContact N-O 3.29Å; V63-L65 HydrophobicContact CG1-CD2 4.12Å; V63-Y87 CarbonylContact C-O 3.21Å; V63-Y87 WeakPolarHBondContact CA-O 3.45Å; V63-F89 HydrophobicContact CG1-CD2 3.6Å; V63-F89 HydrophobicContact CG1-CE2 3.74Å; V63-I106 HydrophobicContact CG1-CD1 3.75Å; V63-I106 HydrophobicContact CG1-CG1 4.01Å; V63-I106 HydrophobicContact CG2-CG2 4.48Å; V63-L112 HydrophobicContact CG2-CD1 3.7Å; V63-L112 HydrophobicContact CG2-CD2 4.06Å
64L98.8Very high98.4Very high0 Ų047.5 Ų47.50%025%0.251CS..EExtended strand (participates in β ladder)trans-90.8117.6-177.2-70.475.7000109.4A43 A52 V62 N72 A75 A76 I79 A86 Y87 D88 F89A43-L64 HydrophobicContact CB-CB 3.63Å; A43-L64 HydrophobicContact CB-CD2 4.11Å; A43-L64 HydrophobicContact CB-CG 3.7Å; A52-L64 HydrophobicContact CB-CD1 4.15Å; A52-L64 HydrophobicContact CB-CD2 4.37Å; A52-L64 HydrophobicContact CB-CG 4.11Å; V62-L64 HydrophobicContact CB-CD1 4.17Å; V62-L64 HydrophobicContact CG2-CD1 3.67Å; L64-N72 VanDerWaalsContact CB-OD1 3.28Å; L64-N72 WeakPolarHBondContact CB-OD1 3.07Å; L64-N72 PolarHBondContact O-ND2 3.3Å; L64-A75 HydrophobicContact CD2-CB 3.84Å; L64-A76 HydrophobicContact CD1-CB 4.49Å; L64-A76 HydrophobicContact CD2-CB 4.3Å; L64-I79 HydrophobicContact CD1-CD1 4.16Å; L64-I79 HydrophobicContact CD2-CD1 4.11Å; L64-A86 HydrophobicContact CD1-CB 4.04Å; L64-Y87 PolarHBondContact N-O 2.81Å; L64-D88 WeakPolarHBondContact O-CA 3.37Å; L64-F89 PolarHBondContact O-N 2.89Å
65L98.8Very high98.4Very high0 Ų046.2 Ų46.20%025%0.246CC..EExtended strand (participates in β ladder)trans-109.7123.9176.4-61.3-172.1000109.5V39 I40 T41 G42 A43 V63 F89 V91 M99 I102 I106V39-L65 HydrophobicContact CG1-CD1 3.4Å; V39-L65 HydrophobicContact CG1-CG 3.88Å; I40-L65 WeakPolarHBondContact O-CB 3.45Å; I40-L65 PolarHBondContact O-N 2.97Å; T41-L65 CarbonylContact C-O 3.59Å; T41-L65 WeakPolarHBondContact CA-O 3.49Å; T41-L65 HydrophobicContact CG2-CB 4.38Å; T41-L65 HydrophobicContact CG2-CD1 4.33Å; G42-L65 PolarHBondContact N-O 2.82Å; A43-L65 PolarHBondContact N-O 2.78Å; V63-L65 HydrophobicContact CG1-CD2 4.12Å; L65-F89 HydrophobicContact CD2-CB 3.69Å; L65-F89 HydrophobicContact CD2-CD2 4.16Å; L65-F89 HydrophobicContact CD2-CG 4.39Å; L65-V91 HydrophobicContact CB-CG1 3.68Å; L65-V91 HydrophobicContact CD1-CG1 4.18Å; L65-V91 HydrophobicContact CD2-CG1 4.1Å; L65-V91 HydrophobicContact CG-CG1 4.2Å; L65-M99 HydrophobicContact CD1-CE 4.29Å; L65-I102 HydrophobicContact CD1-CG2 4.44Å; L65-I102 HydrophobicContact CD2-CG1 3.91Å; L65-I106 HydrophobicContact CD1-CD1 4.43Å; L65-I106 HydrophobicContact CD2-CD1 4.29Å
66D98.6Very high98.4Very high21 Ų2146.2 Ų46.211%0.11225%0.246CC..EExtended strand (participates in β ladder)trans-154.6160.1176-151.4-73.8000111.2G42 A43 A44 N68 N72 F89 V90 V91G42-D66 VanDerWaalsContact CA-OD2 3.23Å; G42-D66 WeakPolarHBondContact CA-OD2 3.25Å; A43-D66 PolarHBondContact N-OD2 3.27Å; A44-D66 HydrophobicContact CB-CB 3.72Å; A44-D66 VanDerWaalsContact CB-OD2 3.23Å; A44-D66 WeakPolarHBondContact CB-OD2 3.35Å; A44-D66 PolarHBondContact N-OD2 3.18Å; D66-N68 PolarHBondContact OD1-N 3.35Å; D66-N72 HydrophobicContact CB-CB 3.89Å; D66-F89 PolarHBondContact N-O 3.15Å; D66-V90 CarbonylContact O-C 3.39Å; D66-V90 VanDerWaalsContact O-CA 3.29Å; D66-V90 WeakPolarHBondContact O-CA 3.42Å; D66-V91 CarbonylContact C-O 3.55Å; D66-V91 PolarHBondContact O-N 3.45Å
67I97.8Very high98.4Very high95 Ų9549.8 Ų49.849%0.48726%0.262SS..SBendtrans-80.2-27.6174.4-166.2170.9000111.4S69 V91 D92I67-S69 PolarHBondContact O-N 3.21Å; I67-V91 PolarHBondContact N-O 3.04Å; I67-D92 HydrophobicContact CD1-CB 4Å; I67-D92 HydrophobicContact CG1-CB 4.37Å
68N97.3Very high98.4Very high64 Ų6449.4 Ų49.434%0.34225%0.248SC..  trans-86.599.4179.6-172.1-40.2000110.8D66 E70 M71 N72D66-N68 PolarHBondContact OD1-N 3.35Å; N68-E70 PolarHBondContact O-N 2.75Å; N68-E70 PolarHBondContact OD1-N 3.47Å; N68-M71 HydrophobicContact CB-CB 4.26Å; N68-M71 PolarHBondContact ND2-SD 3.08Å; N68-M71 VanDerWaalsContact ND2-SD 3.36Å; N68-M71 PolarHBondContact OD1-N 3.23Å; N68-N72 WeakPolarHBondContact O-CB 3.4Å; N68-N72 PolarHBondContact O-N 2.97Å
69S97.3Very high98.4Very high70 Ų7046.4 Ų46.449%0.4923%0.232SC..Hα-helixtrans-58.8-44.1-176.760.80000114I67 A73 V90I67-S69 PolarHBondContact O-N 3.21Å; S69-A73 VanDerWaalsContact O-CB 3.29Å; S69-A73 WeakPolarHBondContact O-CB 3.31Å; S69-A73 PolarHBondContact O-N 3.21Å; S69-V90 VanDerWaalsContact CB-CG2 3.49Å
70E98.1Very high98.4Very high157 Ų15744.7 Ų44.773%0.73422%0.222SC*.Hα-helixtrans-69.2-48.4-175.4-174.6-177.217000111.3N68 N72 K74N68-E70 PolarHBondContact O-N 2.75Å; N68-E70 PolarHBondContact OD1-N 3.47Å; E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 2.83Å; E70-K74 WeakPolarHBondContact O-CB 3.16Å; E70-K74 PolarHBondContact O-N 3.1Å
71M97.6Very high98.4Very high71 Ų7151.4 Ų51.435%0.3525%0.254SS..Hα-helixtrans-66.2-36.2178.7-67.1-175.663.900111.8A44 Q45 N68 A75A44-M71 HydrophobicContact CB-CB 3.8Å; Q45-M71 HydrophobicContact CB-CE 3.97Å; Q45-M71 VanDerWaalsContact OE1-CE 3.27Å; N68-M71 HydrophobicContact CB-CB 4.26Å; N68-M71 PolarHBondContact ND2-SD 3.08Å; N68-M71 VanDerWaalsContact ND2-SD 3.36Å; N68-M71 PolarHBondContact OD1-N 3.23Å; M71-A75 WeakPolarHBondContact O-CB 3.24Å; M71-A75 PolarHBondContact O-N 2.85Å
72N98.2Very high98.3Very high0 Ų054.3 Ų54.30%028%0.28CS..Hα-helixtrans-68.4-46.7179.1-158.336.8000111.9A44 L64 D66 N68 E70 K74 A75 A76 F89A44-N72 HydrophobicContact CB-CB 4.02Å; L64-N72 VanDerWaalsContact CB-OD1 3.28Å; L64-N72 WeakPolarHBondContact CB-OD1 3.07Å; L64-N72 PolarHBondContact O-ND2 3.3Å; D66-N72 HydrophobicContact CB-CB 3.89Å; N68-N72 WeakPolarHBondContact O-CB 3.4Å; N68-N72 PolarHBondContact O-N 2.97Å; E70-N72 VanDerWaalsContact C-N 3.32Å; E70-N72 PolarHBondContact O-N 2.83Å; N72-K74 VanDerWaalsContact C-N 3.31Å; N72-K74 PolarHBondContact O-N 3.46Å; N72-A75 PolarHBondContact O-N 2.97Å; N72-A76 PolarHBondContact O-N 3.33Å; N72-F89 PolarHBondContact ND2-O 3.45Å; N72-F89 VanDerWaalsContact ND2-O 3.12Å
73A98.5Very high98.3Very high37 Ų3756.8 Ų56.831%0.30631%0.305SS..Hα-helixtrans-60.9-41.6175.900000111.5S69 A76 E77S69-A73 VanDerWaalsContact O-CB 3.29Å; S69-A73 WeakPolarHBondContact O-CB 3.31Å; S69-A73 PolarHBondContact O-N 3.21Å; A73-A76 PolarHBondContact O-N 2.88Å; A73-E77 WeakPolarHBondContact O-CB 3.49Å; A73-E77 PolarHBondContact O-N 2.79Å
74K98.4Very high98.2Very high133 Ų13357.6 Ų57.658%0.57831%0.314SS*.Hα-helixtrans-61.5-45.6174.2-177.2178.1177.6179.20112.1E70 N72 A76 E77 E78E70-K74 WeakPolarHBondContact O-CB 3.16Å; E70-K74 PolarHBondContact O-N 3.1Å; N72-K74 VanDerWaalsContact C-N 3.31Å; N72-K74 PolarHBondContact O-N 3.46Å; K74-A76 PolarHBondContact O-N 2.92Å; K74-E77 PolarHBondContact O-N 2.94Å; K74-E78 WeakPolarHBondContact CE-OE1 3.35Å; K74-E78 WeakPolarHBondContact O-CG 3.37Å; K74-E78 PolarHBondContact O-N 2.89Å
75A98.5Very high98.2Very high0 Ų059.9 Ų59.90%033%0.329CS..Hα-helixtrans-61.5-43.7178.200000112.2K49 L64 M71 N72 E77 E78 I79K49-A75 HydrophobicContact CD-CB 3.93Å; K49-A75 HydrophobicContact CG-CB 4.04Å; L64-A75 HydrophobicContact CD2-CB 3.84Å; M71-A75 WeakPolarHBondContact O-CB 3.24Å; M71-A75 PolarHBondContact O-N 2.85Å; N72-A75 PolarHBondContact O-N 2.97Å; A75-E77 VanDerWaalsContact C-N 3.34Å; A75-E78 PolarHBondContact O-N 3.33Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.9Å
76A98.7Very high98.2Very high0 Ų060.1 Ų60.10%033%0.331CS..Hα-helixtrans-65.8-37.3176.200000112.2L64 N72 A73 K74 I79 R80 A86 D88L64-A76 HydrophobicContact CD1-CB 4.49Å; L64-A76 HydrophobicContact CD2-CB 4.3Å; N72-A76 PolarHBondContact O-N 3.33Å; A73-A76 PolarHBondContact O-N 2.88Å; K74-A76 PolarHBondContact O-N 2.92Å; A76-I79 PolarHBondContact O-N 3.02Å; A76-R80 WeakPolarHBondContact O-CG 3.45Å; A76-R80 PolarHBondContact O-N 2.71Å; A76-A86 HydrophobicContact CB-CB 4.1Å; A76-D88 HydrophobicContact CB-CB 3.79Å
77E98.6Very high98.2Very high77 Ų7761.4 Ų61.436%0.3634%0.335SS..Hα-helixtrans-64.3-44.6176-177.255.5-156.600112.5A73 K74 A75 I79 R80 Q81A73-E77 WeakPolarHBondContact O-CB 3.49Å; A73-E77 PolarHBondContact O-N 2.79Å; K74-E77 PolarHBondContact O-N 2.94Å; A75-E77 VanDerWaalsContact C-N 3.34Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 2.62Å; E77-R80 PolarHBondContact O-N 2.89Å; E77-R80 VanDerWaalsContact O-N 3.13Å; E77-R80 IonicContact OE2-CZ 3.79Å; E77-R80 IonicContact OE2-NE 3.44Å; E77-R80 PolarHBondContact OE2-NE 2.7Å; E77-R80 IonicContact OE2-NH2 2.61Å; E77-R80 PolarHBondContact OE2-NH2 3.37Å; E77-Q81 HydrophobicContact CG-CG 4.44Å; E77-Q81 WeakPolarHBondContact O-CB 3.35Å; E77-Q81 VanDerWaalsContact O-CG 3.31Å; E77-Q81 WeakPolarHBondContact O-CG 3.45Å; E77-Q81 PolarHBondContact O-N 3.35Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.22Å; E77-Q81 PolarHBondContact OE1-NE2 3.17Å
78E98.4Very high98.2Very high66 Ų6659.3 Ų59.331%0.30833%0.325SS..Hα-helixtrans-58.6-38.2175-71.3171-167.100112.1K49 K74 A75 S82K49-E78 WeakPolarHBondContact CE-OE2 3.36Å; K49-E78 IonicContact NZ-OE1 3.59Å; K49-E78 IonicContact NZ-OE2 2.62Å; K49-E78 PolarHBondContact NZ-OE2 2.99Å; K74-E78 WeakPolarHBondContact CE-OE1 3.35Å; K74-E78 WeakPolarHBondContact O-CG 3.37Å; K74-E78 PolarHBondContact O-N 2.89Å; A75-E78 PolarHBondContact O-N 3.33Å; E78-S82 PolarHBondContact O-N 3.23Å; E78-S82 VanDerWaalsContact O-N 3.16Å; E78-S82 PolarHBondContact O-OG 3.49Å
79I98.7Very high98.3Very high9 Ų958.3 Ų58.35%0.04632%0.317CS..Hα-helixtrans-66.7-43.9175.2-66.6169.7000111.2A52 A53 A56 V62 L64 A75 A76 E77 S82 G84 A86A52-I79 HydrophobicContact CB-CD1 3.79Å; A53-I79 HydrophobicContact CB-CD1 4.41Å; A53-I79 HydrophobicContact CB-CG1 4.12Å; A56-I79 HydrophobicContact CB-CG2 3.3Å; V62-I79 HydrophobicContact CG2-CD1 4.24Å; V62-I79 HydrophobicContact CG2-CG2 4.35Å; L64-I79 HydrophobicContact CD1-CD1 4.16Å; L64-I79 HydrophobicContact CD2-CD1 4.11Å; A75-I79 WeakPolarHBondContact O-CG1 3.3Å; A75-I79 PolarHBondContact O-N 2.9Å; A76-I79 PolarHBondContact O-N 3.02Å; E77-I79 VanDerWaalsContact C-N 3.26Å; E77-I79 PolarHBondContact O-N 2.62Å; I79-S82 PolarHBondContact O-N 2.92Å; I79-G84 PolarHBondContact O-N 3.39Å; I79-A86 HydrophobicContact CB-CB 3.88Å; I79-A86 HydrophobicContact CD1-CB 4.38Å; I79-A86 HydrophobicContact CG2-CB 3.68Å
80R98.6Very high98.3Very high90 Ų9059 Ų5934%0.3432%0.319SS..Hα-helixtrans-63.3-41.9177-72.3-174.8-63.5-100.12.4111.8A76 E77 S82 G83 A86 D88A76-R80 WeakPolarHBondContact O-CG 3.45Å; A76-R80 PolarHBondContact O-N 2.71Å; E77-R80 PolarHBondContact O-N 2.89Å; E77-R80 VanDerWaalsContact O-N 3.13Å; E77-R80 IonicContact OE2-CZ 3.79Å; E77-R80 IonicContact OE2-NE 3.44Å; E77-R80 PolarHBondContact OE2-NE 2.7Å; E77-R80 IonicContact OE2-NH2 2.61Å; E77-R80 PolarHBondContact OE2-NH2 3.37Å; R80-S82 PolarHBondContact O-N 3.11Å; R80-G83 WeakPolarHBondContact O-CA 3.28Å; R80-G83 PolarHBondContact O-N 2.93Å; R80-A86 HydrophobicContact CG-CB 4.29Å; R80-A86 PolarHBondContact NH1-O 3.5Å; R80-A86 VanDerWaalsContact NH1-O 3.13Å; R80-D88 IonicContact NH1-OD1 3.95Å; R80-D88 PolarHBondContact NH1-OD1 2.61Å
81Q98.2Very high98.3Very high142 Ų14251.8 Ų51.866%0.66429%0.285SS*.Hα-helixtrans-62.3-28.7176-72.2176.24.800112.6E77 G83E77-Q81 HydrophobicContact CG-CG 4.44Å; E77-Q81 WeakPolarHBondContact O-CB 3.35Å; E77-Q81 VanDerWaalsContact O-CG 3.31Å; E77-Q81 WeakPolarHBondContact O-CG 3.45Å; E77-Q81 PolarHBondContact O-N 3.35Å; E77-Q81 WeakPolarHBondContact OE1-CG 3.22Å; E77-Q81 PolarHBondContact OE1-NE2 3.17Å; Q81-G83 PolarHBondContact O-N 2.87Å
82S97.8Very high98.4Very high109 Ų10949.7 Ų49.776%0.76228%0.275SS*.THydrogen-bonded Turntrans-80.64.4173.5-55.60000113.6E78 I79 R80E78-S82 PolarHBondContact O-N 3.23Å; E78-S82 VanDerWaalsContact O-N 3.16Å; E78-S82 PolarHBondContact O-OG 3.49Å; I79-S82 PolarHBondContact O-N 2.92Å; R80-S82 PolarHBondContact O-N 3.11Å
83G97.7Very high98.4Very high52 Ų5250.3 Ų50.354%0.53628%0.279SS..THydrogen-bonded Turntrans82.214.4-179.700000114.8R80 Q81R80-G83 WeakPolarHBondContact O-CA 3.28Å; R80-G83 PolarHBondContact O-N 2.93Å; Q81-G83 PolarHBondContact O-N 2.87Å
84G98.2Very high98.4Very high17 Ų1749.9 Ų49.918%0.17527%0.273CS..  trans-86.4169.1173.800000113.2I79I79-G84 PolarHBondContact O-N 3.39Å
85C98.4Very high98.4Very high47 Ų4750.3 Ų50.332%0.31827%0.27SS..EExtended strand (participates in β ladder)trans-108.3107.4175.5-172.10000109.9K61 V62 Y87K61-C85 HydrophobicContact CG-CB 4.39Å; V62-C85 WeakPolarHBondContact CG2-O 3.42Å; V62-C85 PolarHBondContact N-O 3.09Å; C85-Y87 VanDerWaalsContact SG-CE2 3.55Å
86A98.7Very high98.4Very high6 Ų652 Ų525%0.0528%0.282CS..EExtended strand (participates in β ladder)trans-132136.2-176.500000112.7V62 L64 A76 I79 R80V62-A86 HydrophobicContact CG2-CB 3.68Å; V62-A86 WeakPolarHBondContact O-CA 3.28Å; L64-A86 HydrophobicContact CD1-CB 4.04Å; A76-A86 HydrophobicContact CB-CB 4.1Å; I79-A86 HydrophobicContact CB-CB 3.88Å; I79-A86 HydrophobicContact CD1-CB 4.38Å; I79-A86 HydrophobicContact CG2-CB 3.68Å; R80-A86 HydrophobicContact CG-CB 4.29Å; R80-A86 PolarHBondContact NH1-O 3.5Å; R80-A86 VanDerWaalsContact NH1-O 3.13Å
87Y98.7Very high98.3Very high47 Ų4758.1 Ų58.118%0.18431%0.31CS..EExtended strand (participates in β ladder)trans-120.5141.4173.1-58.3-96.7000108.3V62 V63 L64 C85 H109 D111 L112V62-Y87 PolarHBondContact O-N 3.45Å; V63-Y87 CarbonylContact C-O 3.21Å; V63-Y87 WeakPolarHBondContact CA-O 3.45Å; L64-Y87 PolarHBondContact N-O 2.81Å; C85-Y87 VanDerWaalsContact SG-CE2 3.55Å; Y87-H109 AromaticContact CD1-CE1 3.96Å; Y87-H109 AromaticContact CE1-CE1 3.5Å; Y87-H109 VanDerWaalsContact CE1-CE1 3.5Å; Y87-H109 WeakPolarHBondContact CE1-CE1 3.41Å; Y87-D111 HydrophobicContact CE1-CB 4.34Å; Y87-D111 WeakPolarHBondContact OH-CB 3.27Å; Y87-L112 HydrophobicContact CD1-CD1 4.43Å; Y87-L112 HydrophobicContact CD2-CD1 4.21Å; Y87-L112 HydrophobicContact CD2-CD2 3.61Å; Y87-L112 HydrophobicContact CD2-CG 4.19Å; Y87-L112 HydrophobicContact CE2-CD2 3.49Å; Y87-L112 VanDerWaalsContact CE2-CD2 3.49Å; Y87-L112 HydrophobicContact CE2-CG 4.12Å; Y87-L112 HydrophobicContact CG-CD1 4.11Å; Y87-L112 HydrophobicContact CG-CD2 4.33Å; Y87-L112 HydrophobicContact CG-CG 4.46Å
88D98.5Very high98.3Very high52 Ų5258.7 Ų58.728%0.27831%0.313SS..EExtended strand (participates in β ladder)trans-120.1139.5177.454.7-73.9000111L64 A76 R80L64-D88 WeakPolarHBondContact O-CA 3.37Å; A76-D88 HydrophobicContact CB-CB 3.79Å; R80-D88 IonicContact NH1-OD1 3.95Å; R80-D88 PolarHBondContact NH1-OD1 2.61Å
89F98.4Very high98.3Very high42 Ų4255.6 Ų55.618%0.18430%0.298CS..EExtended strand (participates in β ladder)trans-137.2143.6170.7-58.8-89.6000110.5V63 L64 L65 D66 N72 I102 T105 I106V63-F89 HydrophobicContact CG1-CD2 3.6Å; V63-F89 HydrophobicContact CG1-CE2 3.74Å; L64-F89 PolarHBondContact O-N 2.89Å; L65-F89 HydrophobicContact CD2-CB 3.69Å; L65-F89 HydrophobicContact CD2-CD2 4.16Å; L65-F89 HydrophobicContact CD2-CG 4.39Å; D66-F89 PolarHBondContact N-O 3.15Å; N72-F89 PolarHBondContact ND2-O 3.45Å; N72-F89 VanDerWaalsContact ND2-O 3.12Å; F89-I102 HydrophobicContact CB-CD1 3.48Å; F89-I102 VanDerWaalsContact CB-CD1 3.48Å; F89-I102 HydrophobicContact CB-CG1 4.11Å; F89-I102 HydrophobicContact CD1-CD1 3.55Å; F89-I102 HydrophobicContact CD2-CD1 4.11Å; F89-I102 HydrophobicContact CE1-CD1 4.24Å; F89-I102 HydrophobicContact CG-CD1 3.47Å; F89-I102 VanDerWaalsContact CG-CD1 3.47Å; F89-I102 HydrophobicContact CG-CG1 4.36Å; F89-T105 HydrophobicContact CE1-CG2 3.96Å; F89-T105 HydrophobicContact CZ-CG2 4.45Å; F89-I106 HydrophobicContact CD2-CG1 4.28Å; F89-I106 HydrophobicContact CE2-CG1 3.94Å
90V98.2Very high98.3Very high86 Ų8660.2 Ų60.252%0.52132%0.315SS..EExtended strand (participates in β ladder)trans-86.9125.7176.5-173.90000109D66 S69D66-V90 CarbonylContact O-C 3.39Å; D66-V90 VanDerWaalsContact O-CA 3.29Å; D66-V90 WeakPolarHBondContact O-CA 3.42Å; S69-V90 VanDerWaalsContact CB-CG2 3.49Å
91V98.1Very high98.3Very high4 Ų461.1 Ų61.12%0.02432%0.323CS..  trans-154.4137.9176.463.70000111.4L65 D66 I67 E98 M99 I102L65-V91 HydrophobicContact CB-CG1 3.68Å; L65-V91 HydrophobicContact CD1-CG1 4.18Å; L65-V91 HydrophobicContact CD2-CG1 4.1Å; L65-V91 HydrophobicContact CG-CG1 4.2Å; D66-V91 CarbonylContact C-O 3.55Å; D66-V91 PolarHBondContact O-N 3.45Å; I67-V91 PolarHBondContact N-O 3.04Å; V91-E98 HydrophobicContact CG2-CB 3.95Å; V91-M99 HydrophobicContact CB-SD 4.45Å; V91-M99 HydrophobicContact CG1-SD 4.11Å; V91-M99 HydrophobicContact CG2-CG 4.39Å; V91-M99 HydrophobicContact CG2-SD 3.48Å; V91-M99 WeakPolarHBondContact CG2-SD 3.44Å; V91-I102 HydrophobicContact CG2-CG2 4.13Å
92D98.3Very high98.3Very high28 Ų2855 Ų5515%0.1530%0.295CS..  trans-89.4110.5167.2-177.8-6.3000109.5I67 T94 R95 E98I67-D92 HydrophobicContact CD1-CB 4Å; I67-D92 HydrophobicContact CG1-CB 4.37Å; D92-T94 PolarHBondContact O-N 2.93Å; D92-T94 WeakPolarHBondContact OD1-CB 3.34Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.31Å; D92-T94 PolarHBondContact OD1-N 3.36Å; D92-T94 PolarHBondContact OD1-OG1 3.28Å; D92-T94 PolarHBondContact OD2-OG1 3.18Å; D92-R95 HydrophobicContact CB-CB 4.5Å; D92-R95 HydrophobicContact CB-CG 3.82Å; D92-R95 WeakPolarHBondContact O-CB 3.46Å; D92-R95 PolarHBondContact O-N 3.11Å; D92-R95 IonicContact OD2-NE 3.72Å; D92-E98 PolarHBondContact N-OE2 3.07Å
93V98.5Very high98.3Very high13 Ų1349.9 Ų49.98%0.07926%0.259CS..THydrogen-bonded Turntrans-58.5-19.5179.9-63.10000113.1T41 R95 M99 A122 V144 G148 W151T41-V93 HydrophobicContact CG2-CG1 4Å; V93-R95 PolarHBondContact O-N 3.11Å; V93-M99 HydrophobicContact CB-SD 4.5Å; V93-M99 HydrophobicContact CG1-SD 4.18Å; V93-A122 HydrophobicContact CG1-CB 4.02Å; V93-A122 HydrophobicContact CG2-CB 4.04Å; V93-V144 HydrophobicContact CG2-CG1 4.16Å; V93-G148 WeakPolarHBondContact O-CA 3.33Å; V93-W151 VanDerWaalsContact O-CD1 3.23Å
94T98.4Very high98.4Very high27 Ų2753 Ų5317%0.16626%0.258CS..THydrogen-bonded Turntrans-76.1-8.3177.372.30000113.5D92 P96 R140 D143 V144D92-T94 PolarHBondContact O-N 2.93Å; D92-T94 WeakPolarHBondContact OD1-CB 3.34Å; D92-T94 WeakPolarHBondContact OD1-CG2 3.31Å; D92-T94 PolarHBondContact OD1-N 3.36Å; D92-T94 PolarHBondContact OD1-OG1 3.28Å; D92-T94 PolarHBondContact OD2-OG1 3.18Å; T94-P96 WeakPolarHBondContact O-CD 3.43Å; T94-R140 VanDerWaalsContact CG2-NH1 3.26Å; T94-D143 HydrophobicContact CG2-CB 3.92Å; T94-V144 HydrophobicContact CG2-CG2 3.96Å
95R98.4Very high98.4Very high142 Ų14254.8 Ų54.854%0.53627%0.266SS..  trans-103.7100.5-176.9-58.2-64.7-176.9169.72.7110.3D92 V93 E97 E98 M99D92-R95 HydrophobicContact CB-CB 4.5Å; D92-R95 HydrophobicContact CB-CG 3.82Å; D92-R95 WeakPolarHBondContact O-CB 3.46Å; D92-R95 PolarHBondContact O-N 3.11Å; D92-R95 IonicContact OD2-NE 3.72Å; V93-R95 PolarHBondContact O-N 3.11Å; R95-E97 VanDerWaalsContact C-N 3.33Å; R95-E97 PolarHBondContact O-N 3.44Å; R95-E98 HydrophobicContact CB-CB 3.86Å; R95-E98 HydrophobicContact CB-CG 3.72Å; R95-E98 HydrophobicContact CG-CG 4.44Å; R95-E98 WeakPolarHBondContact CG-OE1 3.39Å; R95-E98 PolarHBondContact O-N 3.01Å; R95-M99 PolarHBondContact O-N 3.44Å
96P98Very high98.4Very high37 Ų3752.6 Ų52.624%0.2425%0.251CS..Hα-helixtrans-61.3-37-17521.1-32.3000113.7T94 M99 R100 W151T94-P96 WeakPolarHBondContact O-CD 3.43Å; P96-M99 PolarHBondContact O-N 2.91Å; P96-R100 WeakPolarHBondContact O-CG 3.39Å; P96-R100 PolarHBondContact O-N 3.23Å; P96-W151 HydrophobicContact CB-CB 4.45Å; P96-W151 HydrophobicContact CB-CD2 3.74Å; P96-W151 HydrophobicContact CB-CE3 3.98Å; P96-W151 HydrophobicContact CB-CG 3.92Å; P96-W151 HydrophobicContact CG-CD2 4.4Å
97E98.4Very high98.3Very high128 Ų12856.9 Ų56.960%0.59827%0.268SS*.Hα-helixtrans-68.3-39.8177.7-59.2-50.6144.700112.3R95 M99 R100 Q101R95-E97 VanDerWaalsContact C-N 3.33Å; R95-E97 PolarHBondContact O-N 3.44Å; E97-M99 VanDerWaalsContact C-N 3.33Å; E97-M99 PolarHBondContact O-N 3.15Å; E97-R100 PolarHBondContact O-N 3.35Å; E97-R100 IonicContact OE1-CZ 3.73Å; E97-R100 IonicContact OE1-NH1 2.79Å; E97-R100 PolarHBondContact OE1-NH1 3.36Å; E97-R100 IonicContact OE2-NH1 3.17Å; E97-R100 PolarHBondContact OE2-NH1 3.06Å; E97-Q101 WeakPolarHBondContact O-CB 3.3Å; E97-Q101 PolarHBondContact O-N 3.34Å
98E98.1Very high98.3Very high89 Ų8959.5 Ų59.542%0.41629%0.285SS..Hα-helixtrans-63-42174.9-64.3-177.6-154.200110.9V91 D92 R95 R100 Q101 I102V91-E98 HydrophobicContact CG2-CB 3.95Å; D92-E98 PolarHBondContact N-OE2 3.07Å; R95-E98 HydrophobicContact CB-CB 3.86Å; R95-E98 HydrophobicContact CB-CG 3.72Å; R95-E98 HydrophobicContact CG-CG 4.44Å; R95-E98 WeakPolarHBondContact CG-OE1 3.39Å; R95-E98 PolarHBondContact O-N 3.01Å; E98-R100 PolarHBondContact O-N 2.83Å; E98-Q101 PolarHBondContact O-N 3.4Å; E98-I102 WeakPolarHBondContact O-CG2 3.46Å; E98-I102 PolarHBondContact O-N 3.1Å
99M98.6Very high98.3Very high0 Ų059.5 Ų59.50%028%0.284CS..Hα-helixtrans-61.3-40.9175.7-74.4-52.8-55.300112.8L65 V91 V93 R95 P96 E97 I102 A103 W151 T152 A155 F156L65-M99 HydrophobicContact CD1-CE 4.29Å; V91-M99 HydrophobicContact CB-SD 4.45Å; V91-M99 HydrophobicContact CG1-SD 4.11Å; V91-M99 HydrophobicContact CG2-CG 4.39Å; V91-M99 HydrophobicContact CG2-SD 3.48Å; V91-M99 WeakPolarHBondContact CG2-SD 3.44Å; V93-M99 HydrophobicContact CB-SD 4.5Å; V93-M99 HydrophobicContact CG1-SD 4.18Å; R95-M99 PolarHBondContact O-N 3.44Å; P96-M99 PolarHBondContact O-N 2.91Å; E97-M99 VanDerWaalsContact C-N 3.33Å; E97-M99 PolarHBondContact O-N 3.15Å; M99-I102 HydrophobicContact CE-CG2 4.27Å; M99-I102 VanDerWaalsContact O-CG2 3.29Å; M99-I102 WeakPolarHBondContact O-CG2 3.46Å; M99-I102 HydrophobicContact SD-CG2 4.31Å; M99-A103 WeakPolarHBondContact O-CB 3.49Å; M99-A103 PolarHBondContact O-N 3.49Å; M99-A103 VanDerWaalsContact O-N 3.11Å; M99-W151 HydrophobicContact CB-CB 4.23Å; M99-W151 HydrophobicContact CG-CB 4.03Å; M99-T152 HydrophobicContact CE-CG2 3.97Å; M99-T152 WeakPolarHBondContact CE-OG1 3.48Å; M99-A155 HydrophobicContact CB-CB 4.24Å; M99-A155 VanDerWaalsContact O-CB 3.31Å; M99-A155 WeakPolarHBondContact O-CB 3.48Å; M99-F156 HydrophobicContact CE-CE2 4.22Å
100R98.4Very high98.2Very high106 Ų10666.2 Ų66.240%0.431%0.313SS..Hα-helixtrans-67.3-42.6174.7-68.9-172.2-158.1102.8-0.3111.9P96 E97 E98 A103 K104P96-R100 WeakPolarHBondContact O-CG 3.39Å; P96-R100 PolarHBondContact O-N 3.23Å; E97-R100 PolarHBondContact O-N 3.35Å; E97-R100 IonicContact OE1-CZ 3.73Å; E97-R100 IonicContact OE1-NH1 2.79Å; E97-R100 PolarHBondContact OE1-NH1 3.36Å; E97-R100 IonicContact OE2-NH1 3.17Å; E97-R100 PolarHBondContact OE2-NH1 3.06Å; E98-R100 PolarHBondContact O-N 2.83Å; R100-A103 PolarHBondContact O-N 3.42Å; R100-K104 PolarHBondContact O-N 2.99Å; R100-K104 VanDerWaalsContact O-N 3.15Å
101Q98.3Very high98.2Very high109 Ų10965.2 Ų65.251%0.50931%0.305SS..Hα-helixtrans-64.3-43.8179.6-177.1555700111.1E97 E98 K104 T105E97-Q101 WeakPolarHBondContact O-CB 3.3Å; E97-Q101 PolarHBondContact O-N 3.34Å; E98-Q101 PolarHBondContact O-N 3.4Å; Q101-K104 PolarHBondContact O-N 3.15Å; Q101-T105 PolarHBondContact NE2-OG1 3.16Å; Q101-T105 PolarHBondContact O-N 3.1Å; Q101-T105 PolarHBondContact O-OG1 2.86Å; Q101-T105 VanDerWaalsContact O-OG1 3.08Å
102I98.4Very high98.1Very high15 Ų1566.1 Ų66.18%0.07731%0.309CS..Hα-helixtrans-68.1-37.6179.4-167.261.1000112.1L65 F89 V91 E98 M99 K104 T105 I106L65-I102 HydrophobicContact CD1-CG2 4.44Å; L65-I102 HydrophobicContact CD2-CG1 3.91Å; F89-I102 HydrophobicContact CB-CD1 3.48Å; F89-I102 VanDerWaalsContact CB-CD1 3.48Å; F89-I102 HydrophobicContact CB-CG1 4.11Å; F89-I102 HydrophobicContact CD1-CD1 3.55Å; F89-I102 HydrophobicContact CD2-CD1 4.11Å; F89-I102 HydrophobicContact CE1-CD1 4.24Å; F89-I102 HydrophobicContact CG-CD1 3.47Å; F89-I102 VanDerWaalsContact CG-CD1 3.47Å; F89-I102 HydrophobicContact CG-CG1 4.36Å; V91-I102 HydrophobicContact CG2-CG2 4.13Å; E98-I102 WeakPolarHBondContact O-CG2 3.46Å; E98-I102 PolarHBondContact O-N 3.1Å; M99-I102 HydrophobicContact CE-CG2 4.27Å; M99-I102 VanDerWaalsContact O-CG2 3.29Å; M99-I102 WeakPolarHBondContact O-CG2 3.46Å; M99-I102 HydrophobicContact SD-CG2 4.31Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 2.8Å; I102-T105 HydrophobicContact CD1-CG2 4.38Å; I102-T105 PolarHBondContact O-N 2.9Å; I102-I106 HydrophobicContact CG1-CD1 4Å; I102-I106 HydrophobicContact CG1-CG1 4.37Å; I102-I106 VanDerWaalsContact O-CG1 3.3Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 2.82Å
103A98.6Very high98Very high1 Ų165.8 Ų65.81%0.00831%0.312CS..Hα-helixtrans-60.6-38.5175.100000111.9M99 R100 K107 A155 F156 M159M99-A103 WeakPolarHBondContact O-CB 3.49Å; M99-A103 PolarHBondContact O-N 3.49Å; M99-A103 VanDerWaalsContact O-N 3.11Å; R100-A103 PolarHBondContact O-N 3.42Å; A103-K107 WeakPolarHBondContact O-CB 3.35Å; A103-K107 PolarHBondContact O-N 3.28Å; A103-K107 VanDerWaalsContact O-N 3.11Å; A103-A155 HydrophobicContact CB-CB 3.76Å; A103-F156 HydrophobicContact CB-CD1 3.91Å; A103-F156 HydrophobicContact CB-CD2 4.42Å; A103-F156 HydrophobicContact CB-CE1 3.57Å; A103-F156 HydrophobicContact CB-CE2 4.11Å; A103-F156 HydrophobicContact CB-CG 4.31Å; A103-F156 HydrophobicContact CB-CZ 3.67Å; A103-M159 HydrophobicContact CB-CE 3.92Å
104K98.1Very high97.9Very high118 Ų11867 Ų6751%0.51332%0.321SS..Hα-helixtrans-66.3-47.9172.1-175.4-179.8177.7-173.40111.8R100 Q101 I102 I106 K107 D108R100-K104 PolarHBondContact O-N 2.99Å; R100-K104 VanDerWaalsContact O-N 3.15Å; Q101-K104 PolarHBondContact O-N 3.15Å; I102-K104 VanDerWaalsContact C-N 3.27Å; I102-K104 PolarHBondContact O-N 2.8Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-I106 PolarHBondContact O-N 2.86Å; K104-K107 PolarHBondContact O-N 2.86Å; K104-K107 VanDerWaalsContact O-N 3.15Å; K104-D108 WeakPolarHBondContact CE-OD2 3.37Å; K104-D108 VanDerWaalsContact CG-OD2 3.31Å; K104-D108 WeakPolarHBondContact CG-OD2 3.29Å; K104-D108 WeakPolarHBondContact O-CB 3.4Å; K104-D108 PolarHBondContact O-N 2.99Å
105T98.3Very high97.9Very high54 Ų5466 Ų6633%0.33132%0.315SS..Hα-helixtrans-55.6-43.8177.3-61.40000111.8F89 Q101 I102 D108 H109F89-T105 HydrophobicContact CE1-CG2 3.96Å; F89-T105 HydrophobicContact CZ-CG2 4.45Å; Q101-T105 PolarHBondContact NE2-OG1 3.16Å; Q101-T105 PolarHBondContact O-N 3.1Å; Q101-T105 PolarHBondContact O-OG1 2.86Å; Q101-T105 VanDerWaalsContact O-OG1 3.08Å; I102-T105 HydrophobicContact CD1-CG2 4.38Å; I102-T105 PolarHBondContact O-N 2.9Å; T105-D108 PolarHBondContact O-N 3.35Å; T105-H109 WeakPolarHBondContact O-CB 3.39Å; T105-H109 PolarHBondContact O-N 3.3Å; T105-H109 VanDerWaalsContact O-N 3.07Å
106I98.5Very high97.9Very high0 Ų060.4 Ų60.40%030%0.296CS..Hα-helixtrans-63.3-46.3176.9-70162.8000111.1V37 V39 V63 L65 F89 I102 K104 D108 H109 L112 F156V37-I106 HydrophobicContact CG1-CG2 4.32Å; V39-I106 HydrophobicContact CG1-CD1 4.31Å; V39-I106 HydrophobicContact CG2-CD1 4.16Å; V39-I106 HydrophobicContact CG2-CG2 4.3Å; V63-I106 HydrophobicContact CG1-CD1 3.75Å; V63-I106 HydrophobicContact CG1-CG1 4.01Å; V63-I106 HydrophobicContact CG2-CG2 4.48Å; L65-I106 HydrophobicContact CD1-CD1 4.43Å; L65-I106 HydrophobicContact CD2-CD1 4.29Å; F89-I106 HydrophobicContact CD2-CG1 4.28Å; F89-I106 HydrophobicContact CE2-CG1 3.94Å; I102-I106 HydrophobicContact CG1-CD1 4Å; I102-I106 HydrophobicContact CG1-CG1 4.37Å; I102-I106 VanDerWaalsContact O-CG1 3.3Å; I102-I106 WeakPolarHBondContact O-CG1 3.29Å; I102-I106 PolarHBondContact O-N 2.82Å; K104-I106 VanDerWaalsContact C-N 3.29Å; K104-I106 PolarHBondContact O-N 2.86Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 2.91Å; I106-H109 WeakPolarHBondContact O-CB 3.39Å; I106-H109 PolarHBondContact O-N 2.93Å; I106-L112 HydrophobicContact CG2-CD1 4.23Å; I106-F156 HydrophobicContact CD1-CE1 4.18Å; I106-F156 HydrophobicContact CD1-CZ 3.89Å
107K97.9Very high98Very high97 Ų9758.9 Ų58.942%0.42229%0.286SS..Hα-helixtrans-60.3-41.9178.6173.2178.8166-170.40112.3A103 K104 H109 G113 M159A103-K107 WeakPolarHBondContact O-CB 3.35Å; A103-K107 PolarHBondContact O-N 3.28Å; A103-K107 VanDerWaalsContact O-N 3.11Å; K104-K107 PolarHBondContact O-N 2.86Å; K104-K107 VanDerWaalsContact O-N 3.15Å; K107-H109 VanDerWaalsContact C-N 3.32Å; K107-G113 WeakPolarHBondContact CA-O 3.42Å; K107-G113 WeakPolarHBondContact O-CA 3.4Å; K107-M159 HydrophobicContact CB-SD 4.3Å; K107-M159 HydrophobicContact CD-SD 3.46Å; K107-M159 WeakPolarHBondContact CD-SD 3.47Å; K107-M159 HydrophobicContact CG-SD 4.42Å
108D97.9Very high98Very high101 Ų10152.8 Ų52.854%0.5426%0.257SS..Hα-helixtrans-87-2.8-174.5-62.5-17.3000112.5K104 T105 I106K104-D108 WeakPolarHBondContact CE-OD2 3.37Å; K104-D108 VanDerWaalsContact CG-OD2 3.31Å; K104-D108 WeakPolarHBondContact CG-OD2 3.29Å; K104-D108 WeakPolarHBondContact O-CB 3.4Å; K104-D108 PolarHBondContact O-N 2.99Å; T105-D108 PolarHBondContact O-N 3.35Å; I106-D108 VanDerWaalsContact C-N 3.31Å; I106-D108 PolarHBondContact O-N 2.91Å
109H98.1Very high98Very high53 Ų5348.6 Ų48.625%0.24524%0.238CC..  trans-71.8130.3-179.6-175.8-76.5000111.7Y87 T105 I106 K107 D111 L112Y87-H109 AromaticContact CD1-CE1 3.96Å; Y87-H109 AromaticContact CE1-CE1 3.5Å; Y87-H109 VanDerWaalsContact CE1-CE1 3.5Å; Y87-H109 WeakPolarHBondContact CE1-CE1 3.41Å; T105-H109 WeakPolarHBondContact O-CB 3.39Å; T105-H109 PolarHBondContact O-N 3.3Å; T105-H109 VanDerWaalsContact O-N 3.07Å; I106-H109 WeakPolarHBondContact O-CB 3.39Å; I106-H109 PolarHBondContact O-N 2.93Å; K107-H109 VanDerWaalsContact C-N 3.32Å; H109-D111 VanDerWaalsContact C-N 3.28Å; H109-D111 IonicContact CE1-OD2 3.86Å; H109-D111 PolarHBondContact CE1-OD2 2.78Å; H109-D111 PolarHBondContact ND1-N 2.82Å; H109-D111 PolarHBondContact O-N 3.44Å; H109-D111 VanDerWaalsContact O-N 3.1Å; H109-L112 HydrophobicContact CB-CB 4.07Å; H109-L112 HydrophobicContact CB-CD1 4.1Å; H109-L112 HydrophobicContact CB-CG 4.32Å; H109-L112 CarbonylContact O-C 3.48Å; H109-L112 PolarHBondContact O-N 2.86Å
110K97.3Very high98Very high183 Ų18348.7 Ų48.780%0.79624%0.238SC*.THydrogen-bonded Turntrans-53.1-35.1-171.863.7173.5-170175.20115.8
111D97Very high98Very high65 Ų6544.5 Ų44.535%0.34823%0.225SC..THydrogen-bonded Turntrans-99.3-9.1-176.4-53.7-45.7000112.8K61 Y87 H109K61-D111 PolarHBondContact NZ-O 3.09Å; Y87-D111 HydrophobicContact CE1-CB 4.34Å; Y87-D111 WeakPolarHBondContact OH-CB 3.27Å; H109-D111 VanDerWaalsContact C-N 3.28Å; H109-D111 IonicContact CE1-OD2 3.86Å; H109-D111 PolarHBondContact CE1-OD2 2.78Å; H109-D111 PolarHBondContact ND1-N 2.82Å; H109-D111 PolarHBondContact O-N 3.44Å; H109-D111 VanDerWaalsContact O-N 3.1Å
112L97.5Very high97.9Very high23 Ų2339.9 Ų39.912%0.1221%0.206CC..  trans-107-129-179.4-62174.5000108.9V37 K61 V63 Y87 I106 H109V37-L112 HydrophobicContact CG1-CD2 4.28Å; V37-L112 HydrophobicContact CG2-CB 4.31Å; V37-L112 HydrophobicContact CG2-CD2 4.1Å; K61-L112 HydrophobicContact CB-CD2 4.02Å; K61-L112 HydrophobicContact CD-CD2 4.23Å; V63-L112 HydrophobicContact CG2-CD1 3.7Å; V63-L112 HydrophobicContact CG2-CD2 4.06Å; Y87-L112 HydrophobicContact CD1-CD1 4.43Å; Y87-L112 HydrophobicContact CD2-CD1 4.21Å; Y87-L112 HydrophobicContact CD2-CD2 3.61Å; Y87-L112 HydrophobicContact CD2-CG 4.19Å; Y87-L112 HydrophobicContact CE2-CD2 3.49Å; Y87-L112 VanDerWaalsContact CE2-CD2 3.49Å; Y87-L112 HydrophobicContact CE2-CG 4.12Å; Y87-L112 HydrophobicContact CG-CD1 4.11Å; Y87-L112 HydrophobicContact CG-CD2 4.33Å; Y87-L112 HydrophobicContact CG-CG 4.46Å; I106-L112 HydrophobicContact CG2-CD1 4.23Å; H109-L112 HydrophobicContact CB-CB 4.07Å; H109-L112 HydrophobicContact CB-CD1 4.1Å; H109-L112 HydrophobicContact CB-CG 4.32Å; H109-L112 CarbonylContact O-C 3.48Å; H109-L112 PolarHBondContact O-N 2.86Å
113G95.6Very high97.7Very high20 Ų2040.7 Ų40.721%0.20622%0.217CC..  trans142.9-165.1-16800000110.1K107 A115K107-G113 WeakPolarHBondContact CA-O 3.42Å; K107-G113 WeakPolarHBondContact O-CA 3.4Å; G113-A115 PolarHBondContact O-N 2.88Å
114C96.5Very high97.5Very high40 Ų4042.5 Ų42.527%0.2723%0.227SC..SBendtrans-62.2129.3178.6-66.80000111.4D116 R163C114-D116 PolarHBondContact O-N 3.41Å; C114-R163 PolarHBondContact O-NH1 3.3Å
115A98.5Very high97.2Very high5 Ų537.6 Ų37.64%0.04121%0.206CC..  trans-54.6122.9174.600000111.6V39 G113 V118 F156 M160 R163V39-A115 HydrophobicContact CG2-CB 3.6Å; G113-A115 PolarHBondContact O-N 2.88Å; A115-V118 HydrophobicContact CB-CG2 3.79Å; A115-F156 HydrophobicContact CB-CD1 3.77Å; A115-F156 HydrophobicContact CB-CE1 4.04Å; A115-M160 WeakPolarHBondContact O-CE 3.29Å; A115-R163 PolarHBondContact O-NH1 3.37Å; A115-R163 PolarHBondContact O-NH2 3.35Å
116D98.7Very high96.8Very high24 Ų2436.5 Ų36.513%0.12820%0.198CC..SBendtrans-81.7-37.8175.1-64.1-79.5000111R36 V37 C114 R163 G166 H167R36-D116 WeakPolarHBondContact CA-OD2 3.37Å; R36-D116 HydrophobicContact CB-CB 4.08Å; R36-D116 VanDerWaalsContact CD-CG 3.47Å; R36-D116 WeakPolarHBondContact CD-OD2 3.38Å; R36-D116 IonicContact NH1-OD1 3.41Å; R36-D116 PolarHBondContact NH1-OD1 3.26Å; R36-D116 VanDerWaalsContact NH1-OD1 3.08Å; V37-D116 PolarHBondContact N-OD2 3.1Å; V37-D116 PolarHBondContact O-N 2.91Å; C114-D116 PolarHBondContact O-N 3.41Å; D116-R163 IonicContact OD1-NH1 2.76Å; D116-G166 CarbonylContact O-C 3.5Å; D116-G166 WeakPolarHBondContact O-CA 3.31Å; D116-H167 PolarHBondContact O-N 3.48Å
117I98.8Very high96.3Very high5 Ų538.3 Ų38.33%0.02621%0.209CC..EExtended strand (participates in β ladder)trans-131.8136.1179.2-49.8-173.7000108.6V33 V37 I38 V39 I119 H167 V169 V271V33-I117 HydrophobicContact CG1-CD1 4.16Å; V37-I117 PolarHBondContact O-N 2.86Å; V37-I117 VanDerWaalsContact O-N 3.16Å; I38-I117 CarbonylContact C-O 3.54Å; I38-I117 WeakPolarHBondContact CA-O 3.32Å; I38-I117 HydrophobicContact CB-CB 4.42Å; I38-I117 HydrophobicContact CD1-CD1 4Å; I38-I117 HydrophobicContact CG1-CB 4.05Å; I38-I117 HydrophobicContact CG1-CD1 4.21Å; I38-I117 HydrophobicContact CG1-CG1 4.25Å; I38-I117 HydrophobicContact CG2-CB 4.12Å; I38-I117 HydrophobicContact CG2-CG2 4.27Å; V39-I117 PolarHBondContact N-O 2.81Å; I117-I119 HydrophobicContact CG2-CD1 4.39Å; I117-I119 HydrophobicContact CG2-CG1 3.97Å; I117-H167 CarbonylContact C-O 3.45Å; I117-H167 VanDerWaalsContact CA-O 3.3Å; I117-H167 WeakPolarHBondContact CA-O 3.35Å; I117-H167 HydrophobicContact CB-CB 4.34Å; I117-H167 HydrophobicContact CG1-CB 3.99Å; I117-H167 HydrophobicContact CG2-CB 4.15Å; I117-V169 HydrophobicContact CG2-CG2 3.99Å; I117-V271 HydrophobicContact CD1-CG1 3.65Å; I117-V271 HydrophobicContact CG2-CG1 4.2Å
118V98.9Very high95.8Very high0 Ų037 Ų370%020%0.204CC..EExtended strand (participates in β ladder)trans-127.1120.5175.9176.20000108.5V39 A115 T152 F156 M160 H167 L168 V169V39-V118 HydrophobicContact CB-CG2 4.29Å; V39-V118 CarbonylContact O-C 3.57Å; V39-V118 WeakPolarHBondContact O-CA 3.5Å; A115-V118 HydrophobicContact CB-CG2 3.79Å; V118-T152 HydrophobicContact CG1-CG2 3.66Å; V118-F156 HydrophobicContact CG1-CD2 3.84Å; V118-F156 HydrophobicContact CG1-CE2 4.37Å; V118-F156 HydrophobicContact CG1-CG 4.35Å; V118-F156 HydrophobicContact CG2-CB 3.69Å; V118-F156 HydrophobicContact CG2-CD1 4.01Å; V118-F156 HydrophobicContact CG2-CD2 3.93Å; V118-F156 HydrophobicContact CG2-CG 3.61Å; V118-M160 HydrophobicContact CB-CE 4.23Å; V118-M160 HydrophobicContact CG2-CE 3.52Å; V118-H167 PolarHBondContact N-O 3.19Å; V118-L168 HydrophobicContact CB-CD2 4.05Å; V118-V169 PolarHBondContact O-N 2.79Å
119I98.8Very high95.4Very high2 Ų234.6 Ų34.61%0.0119%0.19CC..EExtended strand (participates in β ladder)trans-111.2105.1-176.1-48.3-173.1000109.1I38 V39 I40 T41 V51 F55 I117 S121 V169 I171I38-I119 HydrophobicContact CG2-CD1 4.01Å; I38-I119 HydrophobicContact CG2-CG1 4.31Å; V39-I119 PolarHBondContact O-N 3.36Å; I40-I119 HydrophobicContact CD1-CD1 4.41Å; I40-I119 HydrophobicContact CG1-CB 4.15Å; I40-I119 HydrophobicContact CG1-CD1 4.1Å; I40-I119 HydrophobicContact CG1-CG1 4.24Å; I40-I119 HydrophobicContact CG2-CB 4.31Å; T41-I119 PolarHBondContact N-O 2.83Å; T41-I119 PolarHBondContact OG1-O 3.45Å; V51-I119 HydrophobicContact CG1-CD1 3.78Å; F55-I119 HydrophobicContact CD2-CD1 4.31Å; F55-I119 HydrophobicContact CE2-CD1 3.66Å; I117-I119 HydrophobicContact CG2-CD1 4.39Å; I117-I119 HydrophobicContact CG2-CG1 3.97Å; I119-S121 PolarHBondContact O-N 2.98Å; I119-V169 CarbonylContact C-O 3.59Å; I119-V169 WeakPolarHBondContact CA-O 3.34Å; I119-V169 HydrophobicContact CB-CB 4.31Å; I119-V169 HydrophobicContact CG1-CB 4.03Å; I119-V169 HydrophobicContact CG1-CG2 4.22Å; I119-V169 HydrophobicContact CG2-CB 4.17Å; I119-V169 HydrophobicContact CG2-CG1 4.14Å; I119-I171 HydrophobicContact CG2-CD1 4.06Å; I119-I171 HydrophobicContact CG2-CG1 3.98Å
120C98.6Very high95.1Very high1 Ų137.2 Ų37.21%0.00721%0.206CC..EExtended strand (participates in β ladder)trans-77.3102.9171.2-55.80000108.1Y149 V169 I171C120-Y149 HydrophobicContact CB-CD1 3.58Å; C120-Y149 HydrophobicContact CB-CD2 3.81Å; C120-Y149 HydrophobicContact CB-CE1 3.61Å; C120-Y149 HydrophobicContact CB-CE2 3.81Å; C120-Y149 HydrophobicContact CB-CG 3.69Å; C120-Y149 PolarHBondContact O-OH 3.1Å; C120-V169 PolarHBondContact N-O 3.01Å; C120-I171 PolarHBondContact O-N 3.48Å
121S97.4Very high95Very high19 Ų1935.6 Ų35.613%0.13320%0.201CC..  trans-130-8.9-178.8-172.30000114.1T41 I119 G123T41-S121 CarbonylContact O-C 3.36Å; T41-S121 VanDerWaalsContact O-CB 3.28Å; T41-S121 WeakPolarHBondContact O-CB 3.48Å; T41-S121 PolarHBondContact OG1-N 2.84Å; I119-S121 PolarHBondContact O-N 2.98Å; S121-G123 PolarHBondContact O-N 3.44Å
122A96.4Very high94.9Very high12 Ų1237.1 Ų37.110%0.09921%0.209CC..  trans-61.4128.5176.700000109.9T41 V93 V144 Y149T41-A122 PolarHBondContact O-N 3.11Å; T41-A122 VanDerWaalsContact O-N 3.15Å; T41-A122 PolarHBondContact OG1-N 3.47Å; T41-A122 VanDerWaalsContact OG1-N 3.1Å; V93-A122 HydrophobicContact CG1-CB 4.02Å; V93-A122 HydrophobicContact CG2-CB 4.04Å; A122-V144 HydrophobicContact CB-CG1 4.47Å; A122-Y149 WeakPolarHBondContact O-CE2 3.4Å
123G95Very high94.6Very high31 Ų3136.5 Ų36.532%0.3221%0.206SC..  trans-164.7152.8-177.700000113S121 N145S121-G123 PolarHBondContact O-N 3.44Å; G123-N145 WeakPolarHBondContact CA-OD1 3.38Å
124I93.9Very high94.6Very high40 Ų4038.8 Ų38.821%0.20522%0.216CC..  trans-129157.7175.466.1171.7000110.7I126 R140 V144 N145 Y186I124-I126 HydrophobicContact CD1-CD1 4.4Å; I124-R140 HydrophobicContact CD1-CB 4.44Å; I124-R140 HydrophobicContact CD1-CG 3.61Å; I124-V144 HydrophobicContact CD1-CB 4.5Å; I124-V144 HydrophobicContact CD1-CG2 4.07Å; I124-V144 HydrophobicContact CG1-CB 4.23Å; I124-V144 HydrophobicContact CG1-CG2 4.28Å; I124-V144 HydrophobicContact CG2-CG1 4.39Å; I124-V144 HydrophobicContact CG2-CG2 4.37Å; I124-N145 PolarHBondContact N-OD1 3.08Å; I124-N145 PolarHBondContact O-ND2 3.5Å; I124-N145 PolarHBondContact O-OD1 3.2Å; I124-Y186 VanDerWaalsContact O-CD2 3.27Å; I124-Y186 WeakPolarHBondContact O-CD2 3.28Å
125L91.3Very high94.7Very high14 Ų1442.7 Ų42.77%0.07323%0.234CC..  trans-135.7126.7173.8168.461.3000107P127 Y186 L227 L228L125-P127 HydrophobicContact CG-CB 4.48Å; L125-Y186 HydrophobicContact CB-CD2 3.91Å; L125-Y186 HydrophobicContact CB-CE2 4.2Å; L125-Y186 HydrophobicContact CB-CG 4.49Å; L125-Y186 VanDerWaalsContact CD1-CB 3.48Å; L125-Y186 HydrophobicContact CD1-CD1 4.19Å; L125-Y186 HydrophobicContact CD1-CD2 3.9Å; L125-Y186 HydrophobicContact CD1-CG 3.6Å; L125-Y186 HydrophobicContact CG-CD2 4.45Å; L125-L227 HydrophobicContact CB-CD1 3.58Å; L125-L227 HydrophobicContact CB-CD2 4.47Å; L125-L227 HydrophobicContact CB-CG 3.78Å; L125-L227 HydrophobicContact CD2-CG 4.46Å; L125-L227 VanDerWaalsContact N-CD1 3.31Å; L125-L228 HydrophobicContact CD2-CD2 4.04Å
126I90Very high94.7Very high32 Ų3245.6 Ų45.616%0.16426%0.258CS..  trans-114.596.5173.6-57.4174.6000106.4I124 K128 D137I124-I126 HydrophobicContact CD1-CD1 4.4Å; I126-K128 HydrophobicContact CG2-CD 4.2Å; I126-K128 HydrophobicContact CG2-CG 4.21Å; I126-K128 PolarHBondContact O-N 3.08Å; I126-D137 HydrophobicContact CD1-CB 3.78Å; I126-D137 HydrophobicContact CG2-CB 4.13Å
127P87.7Confident94.5Very high37 Ų3745.8 Ų45.824%0.2426%0.259CS..  trans-80.687.4-166.231.3-34.7000111.9L125 Y182 F230L125-P127 HydrophobicContact CG-CB 4.48Å; P127-Y182 CarbonylContact C-O 3.59Å; P127-Y182 WeakPolarHBondContact CA-O 3.43Å; P127-F230 HydrophobicContact CG-CB 3.73Å
128K87.8Confident94.5Very high71 Ų7148 Ų4831%0.30927%0.271SS..BIsolated β-bridgetrans-134151.6-180-64.2-174.4-174.6173.50110.8I126 D132 N133 D137 Y182I126-K128 HydrophobicContact CG2-CD 4.2Å; I126-K128 HydrophobicContact CG2-CG 4.21Å; I126-K128 PolarHBondContact O-N 3.08Å; K128-D132 HydrophobicContact CB-CB 4.16Å; K128-D132 HydrophobicContact CD-CB 4.4Å; K128-D132 VanDerWaalsContact CD-O 3.25Å; K128-D132 WeakPolarHBondContact CD-O 3.44Å; K128-N133 HydrophobicContact CB-CB 4.34Å; K128-D137 IonicContact NZ-OD1 3.9Å; K128-D137 IonicContact NZ-OD2 2.74Å; K128-D137 PolarHBondContact NZ-OD2 2.87Å; K128-Y182 PolarHBondContact N-O 3.19Å; K128-Y182 CarbonylContact O-C 3.54Å; K128-Y182 VanDerWaalsContact O-CA 3.25Å; K128-Y182 WeakPolarHBondContact O-CA 3.44Å
129L88.8Confident94.4Very high49 Ų4956.4 Ų56.426%0.25730%0.302SS..  trans-61.3159.6164.4-66173.9000109.7E131 D132 N133 Y182L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 HydrophobicContact CB-CG 4.26Å; L129-E131 WeakPolarHBondContact CB-OE2 3.33Å; L129-E131 PolarHBondContact O-N 2.91Å; L129-D132 PolarHBondContact O-N 3.3Å; L129-D132 VanDerWaalsContact O-N 3.11Å; L129-N133 PolarHBondContact O-N 3Å; L129-Y182 HydrophobicContact CD1-CE1 4.2Å; L129-Y182 HydrophobicContact CD2-CD1 4.11Å; L129-Y182 HydrophobicContact CD2-CD2 4.23Å; L129-Y182 HydrophobicContact CD2-CE1 3.91Å; L129-Y182 HydrophobicContact CD2-CE2 4.02Å; L129-Y182 HydrophobicContact CD2-CG 4.26Å; L129-Y182 HydrophobicContact CG-CD1 3.97Å; L129-Y182 HydrophobicContact CG-CE1 3.61Å
130L93Very high94.3Very high109 Ų10960.8 Ų60.857%0.57132%0.319SS*.G310 helixtrans-63.5-39.8-173.5178.662.1000111.2D132 N133L130-D132 PolarHBondContact O-N 3.07Å; L130-N133 PolarHBondContact O-N 2.75Å
131E94.5Very high94.3Very high149 Ų14960.7 Ų60.770%0.69632%0.318SS*.G310 helixtrans-63.4-24.4176.360.3-91.8-143.200113.8L129L129-E131 VanDerWaalsContact C-N 3.29Å; L129-E131 HydrophobicContact CB-CG 4.26Å; L129-E131 WeakPolarHBondContact CB-OE2 3.33Å; L129-E131 PolarHBondContact O-N 2.91Å
132D94.6Very high94.3Very high96 Ų9663.1 Ų63.151%0.51333%0.326SS..G310 helixtrans-98.1-12.9179.8-63.6-41000112.8K128 L129 L130 T134K128-D132 HydrophobicContact CB-CB 4.16Å; K128-D132 HydrophobicContact CD-CB 4.4Å; K128-D132 VanDerWaalsContact CD-O 3.25Å; K128-D132 WeakPolarHBondContact CD-O 3.44Å; L129-D132 PolarHBondContact O-N 3.3Å; L129-D132 VanDerWaalsContact O-N 3.11Å; L130-D132 PolarHBondContact O-N 3.07Å; D132-T134 PolarHBondContact O-N 3.2Å
133N91.7Very high94.4Very high10 Ų1065.4 Ų65.45%0.05334%0.337CS..  trans-78.3114.1179.8-148.9-133.7000108.9K128 L129 L130 D137 I138 S185K128-N133 HydrophobicContact CB-CB 4.34Å; L129-N133 PolarHBondContact O-N 3Å; L130-N133 PolarHBondContact O-N 2.75Å; N133-D137 VanDerWaalsContact ND2-CB 3.32Å; N133-D137 WeakPolarHBondContact ND2-CB 3.23Å; N133-I138 HydrophobicContact CB-CG1 4.25Å; N133-I138 WeakPolarHBondContact OD1-CG1 3.34Å; N133-S185 PolarHBondContact OD1-OG 3.18Å; N133-S185 VanDerWaalsContact OD1-OG 3.12Å
134T96.7Very high94.6Very high68 Ų6864.2 Ų64.242%0.41732%0.324SS..  trans-70.4156.5179.466.10000110.3D132 A136 D137 I138D132-T134 PolarHBondContact O-N 3.2Å; T134-A136 PolarHBondContact O-N 2.97Å; T134-A136 VanDerWaalsContact O-N 3.1Å; T134-D137 PolarHBondContact N-OD2 2.86Å; T134-D137 WeakPolarHBondContact O-CA 3.24Å; T134-D137 WeakPolarHBondContact O-CB 3.34Å; T134-D137 PolarHBondContact O-N 3.43Å; T134-D137 PolarHBondContact OG1-N 3.28Å; T134-D137 VanDerWaalsContact OG1-N 3.15Å; T134-D137 PolarHBondContact OG1-OD2 3.03Å; T134-I138 PolarHBondContact O-N 3.31Å
135D97.9Very high94.8Very high122 Ų12262.3 Ų62.365%0.65231%0.314SS*.Hα-helixtrans-51.9-36.1172.9-69.1-2.5000112.3R139D135-R139 WeakPolarHBondContact O-CB 3.44Å; D135-R139 VanDerWaalsContact O-CG 3.25Å; D135-R139 WeakPolarHBondContact O-CG 3.31Å; D135-R139 PolarHBondContact O-N 3.1Å
136A97.7Very high95.1Very high66 Ų6662.2 Ų62.255%0.54531%0.314SS..Hα-helixtrans-67-41176.500000112.2T134 R140T134-A136 PolarHBondContact O-N 2.97Å; T134-A136 VanDerWaalsContact O-N 3.1Å; A136-R140 WeakPolarHBondContact O-CB 3.21Å; A136-R140 PolarHBondContact O-N 2.96Å
137D95.5Very high95.5Very high29 Ų2963.6 Ų63.616%0.15532%0.321CS..Hα-helixtrans-62.6-44.5175.9-63.5-42.1000111.3I126 K128 N133 T134 T141I126-D137 HydrophobicContact CD1-CB 3.78Å; I126-D137 HydrophobicContact CG2-CB 4.13Å; K128-D137 IonicContact NZ-OD1 3.9Å; K128-D137 IonicContact NZ-OD2 2.74Å; K128-D137 PolarHBondContact NZ-OD2 2.87Å; N133-D137 VanDerWaalsContact ND2-CB 3.32Å; N133-D137 WeakPolarHBondContact ND2-CB 3.23Å; T134-D137 PolarHBondContact N-OD2 2.86Å; T134-D137 WeakPolarHBondContact O-CA 3.24Å; T134-D137 WeakPolarHBondContact O-CB 3.34Å; T134-D137 PolarHBondContact O-N 3.43Å; T134-D137 PolarHBondContact OG1-N 3.28Å; T134-D137 VanDerWaalsContact OG1-N 3.15Å; T134-D137 PolarHBondContact OG1-OD2 3.03Å; D137-T141 WeakPolarHBondContact O-CB 2.7Å; D137-T141 PolarHBondContact O-N 3.07Å; D137-T141 PolarHBondContact O-OG1 3.44Å
138I97.4Very high96Very high52 Ų5261.9 Ų61.927%0.26731%0.31SS..Hα-helixtrans-62.4-53.5178.6-62.4171.8000109.6N133 T134 R140 T141 F142N133-I138 HydrophobicContact CB-CG1 4.25Å; N133-I138 WeakPolarHBondContact OD1-CG1 3.34Å; T134-I138 PolarHBondContact O-N 3.31Å; I138-R140 VanDerWaalsContact C-N 3.34Å; I138-R140 PolarHBondContact O-N 3.26Å; I138-T141 WeakPolarHBondContact O-CB 3.46Å; I138-T141 PolarHBondContact O-N 3.05Å; I138-F142 HydrophobicContact CG2-CD2 4.17Å; I138-F142 HydrophobicContact CG2-CE2 4.27Å; I138-F142 WeakPolarHBondContact O-CD2 3.47Å; I138-F142 PolarHBondContact O-N 3.49Å; I138-F142 VanDerWaalsContact O-N 3.1Å
139R97.8Very high96.5Very high175 Ų17558.5 Ų58.566%0.6630%0.296SS*.Hα-helixtrans-56.9-48.5179.3-74.5173.2-173-87-0.4111.3D135 T141 F142 D143D135-R139 WeakPolarHBondContact O-CB 3.44Å; D135-R139 VanDerWaalsContact O-CG 3.25Å; D135-R139 WeakPolarHBondContact O-CG 3.31Å; D135-R139 PolarHBondContact O-N 3.1Å; R139-T141 VanDerWaalsContact C-N 3.27Å; R139-T141 PolarHBondContact O-N 3.03Å; R139-F142 PolarHBondContact O-N 3.23Å; R139-F142 VanDerWaalsContact O-N 3.1Å; R139-D143 WeakPolarHBondContact O-CB 3.5Å; R139-D143 PolarHBondContact O-N 3.24Å
140R97.5Very high97Very high94 Ų9460 Ų6036%0.35530%0.3SS..Hα-helixtrans-59.4-39-179.7-179.354.4-172.31482.8112T94 I124 A136 I138 V144T94-R140 VanDerWaalsContact CG2-NH1 3.26Å; I124-R140 HydrophobicContact CD1-CB 4.44Å; I124-R140 HydrophobicContact CD1-CG 3.61Å; A136-R140 WeakPolarHBondContact O-CB 3.21Å; A136-R140 PolarHBondContact O-N 2.96Å; I138-R140 VanDerWaalsContact C-N 3.34Å; I138-R140 PolarHBondContact O-N 3.26Å; R140-V144 PolarHBondContact O-N 3.48Å
141T96.9Very high97.3Very high0 Ų057.5 Ų57.50%028%0.283CS..Hα-helixtrans-63.1-45.9175.3-59.10000111.6D137 I138 R139 N145D137-T141 WeakPolarHBondContact O-CB 2.7Å; D137-T141 PolarHBondContact O-N 3.07Å; D137-T141 PolarHBondContact O-OG1 3.44Å; I138-T141 WeakPolarHBondContact O-CB 3.46Å; I138-T141 PolarHBondContact O-N 3.05Å; R139-T141 VanDerWaalsContact C-N 3.27Å; R139-T141 PolarHBondContact O-N 3.03Å; T141-N145 VanDerWaalsContact O-CB 3.22Å; T141-N145 WeakPolarHBondContact O-CB 3.26Å; T141-N145 PolarHBondContact O-N 3.3Å
142F98.4Very high97.5Very high69 Ų6950.4 Ų50.430%0.30325%0.25SS..Hα-helixtrans-68.9-38177.4-85.9-99.1000112.9I138 R139 V144 V146 L147 A188I138-F142 HydrophobicContact CG2-CD2 4.17Å; I138-F142 HydrophobicContact CG2-CE2 4.27Å; I138-F142 WeakPolarHBondContact O-CD2 3.47Å; I138-F142 PolarHBondContact O-N 3.49Å; I138-F142 VanDerWaalsContact O-N 3.1Å; R139-F142 PolarHBondContact O-N 3.23Å; R139-F142 VanDerWaalsContact O-N 3.1Å; F142-V144 VanDerWaalsContact C-N 3.3Å; F142-V144 PolarHBondContact O-N 3.15Å; F142-V146 HydrophobicContact CD1-CB 4.19Å; F142-V146 HydrophobicContact CD1-CG2 3.63Å; F142-V146 HydrophobicContact CE1-CG2 4.1Å; F142-V146 HydrophobicContact CG-CG2 4.28Å; F142-V146 WeakPolarHBondContact O-CA 3.46Å; F142-V146 VanDerWaalsContact O-CB 3.3Å; F142-V146 WeakPolarHBondContact O-CB 3.39Å; F142-V146 PolarHBondContact O-N 3.29Å; F142-L147 PolarHBondContact O-N 3.26Å; F142-A188 HydrophobicContact CE2-CB 4.34Å; F142-A188 HydrophobicContact CZ-CB 3.87Å
143D98.3Very high97.7Very high61 Ų6146.2 Ų46.233%0.32623%0.228SC..Iπ-helixtrans-59.3-41.9178.8-71.6-20.9000111.3T94 R139 G148T94-D143 HydrophobicContact CG2-CB 3.92Å; R139-D143 WeakPolarHBondContact O-CB 3.5Å; R139-D143 PolarHBondContact O-N 3.24Å; D143-G148 PolarHBondContact O-N 2.9Å
144V98.2Very high98Very high6 Ų651.3 Ų51.34%0.03625%0.249CC..Iπ-helixtrans-80.7-58.4177.2-175.60000111.6V93 T94 A122 I124 R140 F142 V146 G148V93-V144 HydrophobicContact CG2-CG1 4.16Å; T94-V144 HydrophobicContact CG2-CG2 3.96Å; A122-V144 HydrophobicContact CB-CG1 4.47Å; I124-V144 HydrophobicContact CD1-CB 4.5Å; I124-V144 HydrophobicContact CD1-CG2 4.07Å; I124-V144 HydrophobicContact CG1-CB 4.23Å; I124-V144 HydrophobicContact CG1-CG2 4.28Å; I124-V144 HydrophobicContact CG2-CG1 4.39Å; I124-V144 HydrophobicContact CG2-CG2 4.37Å; R140-V144 PolarHBondContact O-N 3.48Å; F142-V144 VanDerWaalsContact C-N 3.3Å; F142-V144 PolarHBondContact O-N 3.15Å; V144-V146 VanDerWaalsContact C-N 3.33Å; V144-V146 PolarHBondContact O-N 3.42Å; V144-G148 WeakPolarHBondContact O-CA 3.31Å; V144-G148 PolarHBondContact O-N 3.44Å
145N98Very high98.1Very high0 Ų048.6 Ų48.60%023%0.234CC..Iπ-helixtrans-78.5-18.9-164.5-63.49.6000113G123 I124 T141 S189G123-N145 WeakPolarHBondContact CA-OD1 3.38Å; I124-N145 PolarHBondContact N-OD1 3.08Å; I124-N145 PolarHBondContact O-ND2 3.5Å; I124-N145 PolarHBondContact O-OD1 3.2Å; T141-N145 VanDerWaalsContact O-CB 3.22Å; T141-N145 WeakPolarHBondContact O-CB 3.26Å; T141-N145 PolarHBondContact O-N 3.3Å; N145-S189 VanDerWaalsContact CB-OG 3.29Å; N145-S189 WeakPolarHBondContact CB-OG 3.13Å; N145-S189 PolarHBondContact ND2-OG 3.07Å
146V98.6Very high98.1Very high12 Ų1243 Ų437%0.07320%0.203CC..Iπ-helixtrans-115.8-65.9179.8-173.80000110.2F142 V144 G148 Y149 F150 A192F142-V146 HydrophobicContact CD1-CB 4.19Å; F142-V146 HydrophobicContact CD1-CG2 3.63Å; F142-V146 HydrophobicContact CE1-CG2 4.1Å; F142-V146 HydrophobicContact CG-CG2 4.28Å; F142-V146 WeakPolarHBondContact O-CA 3.46Å; F142-V146 VanDerWaalsContact O-CB 3.3Å; F142-V146 WeakPolarHBondContact O-CB 3.39Å; F142-V146 PolarHBondContact O-N 3.29Å; V144-V146 VanDerWaalsContact C-N 3.33Å; V144-V146 PolarHBondContact O-N 3.42Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 3.5Å; V146-Y149 WeakPolarHBondContact O-CB 3.33Å; V146-Y149 PolarHBondContact O-N 3.04Å; V146-F150 HydrophobicContact CG1-CD2 4.03Å; V146-F150 HydrophobicContact CG1-CE2 3.78Å; V146-F150 WeakPolarHBondContact O-CD2 3.4Å; V146-F150 PolarHBondContact O-N 3.39Å; V146-F150 VanDerWaalsContact O-N 3.1Å; V146-A192 HydrophobicContact CG1-CB 4.03Å; V146-A192 HydrophobicContact CG2-CB 3.79Å
147L98.7Very high98.1Very high60 Ų6040.8 Ų40.831%0.31418%0.181SC..Iπ-helixtrans-64.3-37.6-176-63.2-176000111.4F142 Y149 F150 W151F142-L147 PolarHBondContact O-N 3.26Å; L147-Y149 PolarHBondContact O-N 2.83Å; L147-F150 HydrophobicContact CD2-CD2 4.47Å; L147-F150 WeakPolarHBondContact O-CB 3.3Å; L147-F150 PolarHBondContact O-N 2.87Å; L147-F150 VanDerWaalsContact O-N 3.1Å; L147-W151 HydrophobicContact CB-CZ2 4.19Å; L147-W151 HydrophobicContact CD1-CZ2 4.4Å; L147-W151 HydrophobicContact CD2-CZ2 4.14Å; L147-W151 HydrophobicContact CG-CZ2 4.49Å; L147-W151 PolarHBondContact O-N 3.03Å; L147-W151 PolarHBondContact O-NE1 3.37Å
148G98.6Very high98.2Very high1 Ų142.8 Ų42.81%0.0120%0.196CC..Hα-helixtrans-56.7-35.1172.800000113.7V93 D143 V144 V146 T152V93-G148 WeakPolarHBondContact O-CA 3.33Å; D143-G148 PolarHBondContact O-N 2.9Å; V144-G148 WeakPolarHBondContact O-CA 3.31Å; V144-G148 PolarHBondContact O-N 3.44Å; V146-G148 VanDerWaalsContact C-N 3.31Å; V146-G148 PolarHBondContact O-N 3.5Å; G148-T152 WeakPolarHBondContact O-CB 3.29Å; G148-T152 PolarHBondContact O-N 2.72Å; G148-T152 PolarHBondContact O-OG1 3.25Å
149Y98.6Very high98.2Very high1 Ų142.3 Ų42.30%0.00419%0.193CC..Hα-helixtrans-72.2-44.1175.4-79.5-144.5000110.4C120 A122 V146 L147 W151 T152 I153 A170 I171 A193C120-Y149 HydrophobicContact CB-CD1 3.58Å; C120-Y149 HydrophobicContact CB-CD2 3.81Å; C120-Y149 HydrophobicContact CB-CE1 3.61Å; C120-Y149 HydrophobicContact CB-CE2 3.81Å; C120-Y149 HydrophobicContact CB-CG 3.69Å; C120-Y149 PolarHBondContact O-OH 3.1Å; A122-Y149 WeakPolarHBondContact O-CE2 3.4Å; V146-Y149 WeakPolarHBondContact O-CB 3.33Å; V146-Y149 PolarHBondContact O-N 3.04Å; L147-Y149 PolarHBondContact O-N 2.83Å; Y149-W151 VanDerWaalsContact C-N 3.33Å; Y149-W151 PolarHBondContact O-N 2.98Å; Y149-T152 PolarHBondContact O-N 3.1Å; Y149-I153 WeakPolarHBondContact O-CB 3.36Å; Y149-I153 VanDerWaalsContact O-CG1 3.29Å; Y149-I153 WeakPolarHBondContact O-CG1 3.09Å; Y149-I153 PolarHBondContact O-N 2.95Å; Y149-A170 HydrophobicContact CD1-CB 4.09Å; Y149-A170 HydrophobicContact CE1-CB 3.83Å; Y149-I171 PolarHBondContact OH-O 3.36Å; Y149-A193 HydrophobicContact CD1-CB 4.15Å; Y149-A193 HydrophobicContact CE1-CB 4.21Å
150F98.7Very high98.2Very high79 Ų7934 Ų3435%0.34616%0.162SC..Hα-helixtrans-55.5-47.2172.3-83.2-80.9000111.8V146 L147 I153 K154 L196V146-F150 HydrophobicContact CG1-CD2 4.03Å; V146-F150 HydrophobicContact CG1-CE2 3.78Å; V146-F150 WeakPolarHBondContact O-CD2 3.4Å; V146-F150 PolarHBondContact O-N 3.39Å; V146-F150 VanDerWaalsContact O-N 3.1Å; L147-F150 HydrophobicContact CD2-CD2 4.47Å; L147-F150 WeakPolarHBondContact O-CB 3.3Å; L147-F150 PolarHBondContact O-N 2.87Å; L147-F150 VanDerWaalsContact O-N 3.1Å; F150-I153 PolarHBondContact O-N 2.91Å; F150-K154 WeakPolarHBondContact O-CB 3.3Å; F150-K154 WeakPolarHBondContact O-CG 3.44Å; F150-K154 PolarHBondContact O-N 2.89Å; F150-L196 HydrophobicContact CD1-CD1 3.92Å; F150-L196 HydrophobicContact CD1-CD2 4.27Å; F150-L196 HydrophobicContact CD2-CD2 3.96Å; F150-L196 HydrophobicContact CE1-CD1 3.45Å; F150-L196 VanDerWaalsContact CE1-CD1 3.45Å; F150-L196 HydrophobicContact CE1-CD2 4.31Å; F150-L196 HydrophobicContact CE1-CG 4.44Å; F150-L196 HydrophobicContact CE2-CD1 4.36Å; F150-L196 HydrophobicContact CE2-CD2 3.97Å; F150-L196 HydrophobicContact CG-CD2 4.11Å; F150-L196 HydrophobicContact CZ-CB 4.47Å; F150-L196 HydrophobicContact CZ-CD1 3.7Å; F150-L196 HydrophobicContact CZ-CD2 4.15Å; F150-L196 HydrophobicContact CZ-CG 4.33Å
151W98.7Very high98.2Very high58 Ų5831.5 Ų31.522%0.2216%0.155CC..Hα-helixtrans-67.2-40.3-177.8-54.8149.5000112.1V93 P96 M99 L147 Y149 K154 A155V93-W151 VanDerWaalsContact O-CD1 3.23Å; P96-W151 HydrophobicContact CB-CB 4.45Å; P96-W151 HydrophobicContact CB-CD2 3.74Å; P96-W151 HydrophobicContact CB-CE3 3.98Å; P96-W151 HydrophobicContact CB-CG 3.92Å; P96-W151 HydrophobicContact CG-CD2 4.4Å; M99-W151 HydrophobicContact CB-CB 4.23Å; M99-W151 HydrophobicContact CG-CB 4.03Å; L147-W151 HydrophobicContact CB-CZ2 4.19Å; L147-W151 HydrophobicContact CD1-CZ2 4.4Å; L147-W151 HydrophobicContact CD2-CZ2 4.14Å; L147-W151 HydrophobicContact CG-CZ2 4.49Å; L147-W151 PolarHBondContact O-N 3.03Å; L147-W151 PolarHBondContact O-NE1 3.37Å; Y149-W151 VanDerWaalsContact C-N 3.33Å; Y149-W151 PolarHBondContact O-N 2.98Å; W151-K154 HydrophobicContact CE3-CD 4.39Å; W151-K154 HydrophobicContact CZ3-CD 4.32Å; W151-A155 VanDerWaalsContact O-CB 3.3Å; W151-A155 WeakPolarHBondContact O-CB 3.5Å; W151-A155 PolarHBondContact O-N 3.41Å
152T98.8Very high98.2Very high0 Ų036.9 Ų36.90%019%0.192CC..Hα-helixtrans-62.9-53.7174.2-54.90000111T41 M99 V118 G148 Y149 K154 A155 F156T41-T152 HydrophobicContact CG2-CG2 3.79Å; M99-T152 HydrophobicContact CE-CG2 3.97Å; M99-T152 WeakPolarHBondContact CE-OG1 3.48Å; V118-T152 HydrophobicContact CG1-CG2 3.66Å; G148-T152 WeakPolarHBondContact O-CB 3.29Å; G148-T152 PolarHBondContact O-N 2.72Å; G148-T152 PolarHBondContact O-OG1 3.25Å; Y149-T152 PolarHBondContact O-N 3.1Å; T152-K154 PolarHBondContact O-N 2.77Å; T152-A155 WeakPolarHBondContact O-CB 3.41Å; T152-A155 PolarHBondContact O-N 2.8Å; T152-A155 VanDerWaalsContact O-N 3.15Å; T152-F156 HydrophobicContact CG2-CD2 4.21Å; T152-F156 HydrophobicContact CG2-CE2 4.29Å; T152-F156 VanDerWaalsContact O-CD2 3.29Å; T152-F156 WeakPolarHBondContact O-CD2 3.48Å; T152-F156 PolarHBondContact O-N 2.9Å
153I98.7Very high98.1Very high8 Ų837.5 Ų37.54%0.04119%0.193CC..Hα-helixtrans-60.1-47.8-179.7-68.5170000110.4Y149 F150 A155 F156 Y157 L168 L196 M197 L200Y149-I153 WeakPolarHBondContact O-CB 3.36Å; Y149-I153 VanDerWaalsContact O-CG1 3.29Å; Y149-I153 WeakPolarHBondContact O-CG1 3.09Å; Y149-I153 PolarHBondContact O-N 2.95Å; F150-I153 PolarHBondContact O-N 2.91Å; I153-A155 PolarHBondContact O-N 3.37Å; I153-F156 PolarHBondContact O-N 3.05Å; I153-Y157 HydrophobicContact CG2-CG 4.5Å; I153-Y157 WeakPolarHBondContact O-CB 3.5Å; I153-Y157 PolarHBondContact O-N 2.93Å; I153-L168 HydrophobicContact CG1-CD2 4.46Å; I153-L168 HydrophobicContact CG2-CD1 4.15Å; I153-L196 HydrophobicContact CD1-CD2 3.96Å; I153-L196 HydrophobicContact CD1-CG 4.26Å; I153-M197 HydrophobicContact CD1-SD 3.88Å; I153-L200 HydrophobicContact CD1-CD2 4.23Å; I153-L200 HydrophobicContact CG2-CD2 3.67Å
154K98.3Very high98Very high117 Ų11735.1 Ų35.151%0.50918%0.183SC..Hα-helixtrans-63.7-24.5179.4-72.2-175.672.5151.10113.6F150 W151 T152 P158F150-K154 WeakPolarHBondContact O-CB 3.3Å; F150-K154 WeakPolarHBondContact O-CG 3.44Å; F150-K154 PolarHBondContact O-N 2.89Å; W151-K154 HydrophobicContact CE3-CD 4.39Å; W151-K154 HydrophobicContact CZ3-CD 4.32Å; T152-K154 PolarHBondContact O-N 2.77Å; K154-P158 VanDerWaalsContact O-CD 3.28Å; K154-P158 WeakPolarHBondContact O-CD 3.31Å; K154-P158 WeakPolarHBondContact O-CG 3.38Å
155A98.6Very high98Very high11 Ų1136.8 Ų36.89%0.09120%0.195CC..Hα-helixtrans-75.4-37.4176.100000112.4M99 A103 W151 T152 I153 M159M99-A155 HydrophobicContact CB-CB 4.24Å; M99-A155 VanDerWaalsContact O-CB 3.31Å; M99-A155 WeakPolarHBondContact O-CB 3.48Å; A103-A155 HydrophobicContact CB-CB 3.76Å; W151-A155 VanDerWaalsContact O-CB 3.3Å; W151-A155 WeakPolarHBondContact O-CB 3.5Å; W151-A155 PolarHBondContact O-N 3.41Å; T152-A155 WeakPolarHBondContact O-CB 3.41Å; T152-A155 PolarHBondContact O-N 2.8Å; T152-A155 VanDerWaalsContact O-N 3.15Å; I153-A155 PolarHBondContact O-N 3.37Å; A155-M159 WeakPolarHBondContact O-CE 3.36Å
156F98.7Very high98Very high3 Ų337.3 Ų37.31%0.01320%0.2CC..Hα-helixtrans-103.8-34.8-174.3-66.3-79.6000115V39 M99 A103 I106 A115 V118 T152 I153 M159 M160V39-F156 HydrophobicContact CB-CZ 4.38Å; V39-F156 HydrophobicContact CG1-CE2 4.1Å; V39-F156 HydrophobicContact CG1-CZ 3.8Å; V39-F156 HydrophobicContact CG2-CE1 4.05Å; V39-F156 HydrophobicContact CG2-CZ 4.16Å; M99-F156 HydrophobicContact CE-CE2 4.22Å; A103-F156 HydrophobicContact CB-CD1 3.91Å; A103-F156 HydrophobicContact CB-CD2 4.42Å; A103-F156 HydrophobicContact CB-CE1 3.57Å; A103-F156 HydrophobicContact CB-CE2 4.11Å; A103-F156 HydrophobicContact CB-CG 4.31Å; A103-F156 HydrophobicContact CB-CZ 3.67Å; I106-F156 HydrophobicContact CD1-CE1 4.18Å; I106-F156 HydrophobicContact CD1-CZ 3.89Å; A115-F156 HydrophobicContact CB-CD1 3.77Å; A115-F156 HydrophobicContact CB-CE1 4.04Å; V118-F156 HydrophobicContact CG1-CD2 3.84Å; V118-F156 HydrophobicContact CG1-CE2 4.37Å; V118-F156 HydrophobicContact CG1-CG 4.35Å; V118-F156 HydrophobicContact CG2-CB 3.69Å; V118-F156 HydrophobicContact CG2-CD1 4.01Å; V118-F156 HydrophobicContact CG2-CD2 3.93Å; V118-F156 HydrophobicContact CG2-CG 3.61Å; T152-F156 HydrophobicContact CG2-CD2 4.21Å; T152-F156 HydrophobicContact CG2-CE2 4.29Å; T152-F156 VanDerWaalsContact O-CD2 3.29Å; T152-F156 WeakPolarHBondContact O-CD2 3.48Å; T152-F156 PolarHBondContact O-N 2.9Å; I153-F156 PolarHBondContact O-N 3.05Å; F156-M159 HydrophobicContact CD1-CE 3.9Å; F156-M159 WeakPolarHBondContact O-CB 3.39Å; F156-M159 PolarHBondContact O-N 3.45Å; F156-M159 VanDerWaalsContact O-N 3.09Å; F156-M160 PolarHBondContact O-N 2.69Å
157Y98.1Very high98Very high20 Ų2036.8 Ų36.88%0.07820%0.197CC..Hα-helixtrans-58.2-42.5-173.9177-122.9000114.1I153 M159 M160 L161 L168 L200 I204 I213I153-Y157 HydrophobicContact CG2-CG 4.5Å; I153-Y157 WeakPolarHBondContact O-CB 3.5Å; I153-Y157 PolarHBondContact O-N 2.93Å; Y157-M159 PolarHBondContact O-N 2.94Å; Y157-M160 WeakPolarHBondContact O-CB 3.36Å; Y157-M160 PolarHBondContact O-N 3.13Å; Y157-L161 HydrophobicContact CD1-CD1 3.82Å; Y157-L161 HydrophobicContact CD1-CG 4.46Å; Y157-L161 HydrophobicContact CD2-CD1 4.41Å; Y157-L161 HydrophobicContact CD2-CG 4.18Å; Y157-L161 HydrophobicContact CE1-CD1 3.3Å; Y157-L161 HydrophobicContact CE1-CG 3.98Å; Y157-L161 HydrophobicContact CE2-CD1 3.98Å; Y157-L161 HydrophobicContact CE2-CD2 4.16Å; Y157-L161 HydrophobicContact CE2-CG 3.67Å; Y157-L161 HydrophobicContact CG-CD1 4.35Å; Y157-L161 VanDerWaalsContact CZ-CD1 3.4Å; Y157-L161 PolarHBondContact O-N 3.21Å; Y157-L168 HydrophobicContact CD2-CD1 3.65Å; Y157-L168 HydrophobicContact CE2-CD1 4.37Å; Y157-L168 HydrophobicContact CG-CD1 4.15Å; Y157-L200 HydrophobicContact CD1-CD1 4.12Å; Y157-L200 HydrophobicContact CE1-CD1 3.69Å; Y157-L200 HydrophobicContact CE2-CD1 4.23Å; Y157-I204 HydrophobicContact CE2-CD1 3.97Å; Y157-I204 HydrophobicContact CE2-CG1 3.72Å; Y157-I204 VanDerWaalsContact OH-CG1 3.25Å; Y157-I204 WeakPolarHBondContact OH-CG1 3.35Å; Y157-I213 HydrophobicContact CE2-CD1 4.37Å; Y157-I213 HydrophobicContact CE2-CG2 4.39Å
158P97.3Very high98Very high72 Ų7234 Ų3447%0.46818%0.183SC..Hα-helixtrans-58.1-34.2176.2-26.436.2000113.5K154 S162K154-P158 VanDerWaalsContact O-CD 3.28Å; K154-P158 WeakPolarHBondContact O-CD 3.31Å; K154-P158 WeakPolarHBondContact O-CG 3.38Å; P158-S162 WeakPolarHBondContact O-CB 3.43Å; P158-S162 PolarHBondContact O-N 3.41Å
159M97.2Very high98Very high41 Ų4134 Ų3420%0.20218%0.182CC..Hα-helixtrans-72.5-36.7176.5-60.1-172-75.400111.7A103 K107 A155 F156 Y157 R163A103-M159 HydrophobicContact CB-CE 3.92Å; K107-M159 HydrophobicContact CB-SD 4.3Å; K107-M159 HydrophobicContact CD-SD 3.46Å; K107-M159 WeakPolarHBondContact CD-SD 3.47Å; K107-M159 HydrophobicContact CG-SD 4.42Å; A155-M159 WeakPolarHBondContact O-CE 3.36Å; F156-M159 HydrophobicContact CD1-CE 3.9Å; F156-M159 WeakPolarHBondContact O-CB 3.39Å; F156-M159 PolarHBondContact O-N 3.45Å; F156-M159 VanDerWaalsContact O-N 3.09Å; Y157-M159 PolarHBondContact O-N 2.94Å; M159-R163 VanDerWaalsContact O-CB 3.31Å; M159-R163 WeakPolarHBondContact O-CB 3.34Å; M159-R163 PolarHBondContact O-N 2.82Å
160M98.2Very high98Very high2 Ų233.9 Ų33.91%0.0118%0.182CC..Hα-helixtrans-65.9-42.8174-66.6180168.600111.9A115 V118 F156 Y157 R163 G164 S165 L168 I213A115-M160 WeakPolarHBondContact O-CE 3.29Å; V118-M160 HydrophobicContact CB-CE 4.23Å; V118-M160 HydrophobicContact CG2-CE 3.52Å; F156-M160 PolarHBondContact O-N 2.69Å; Y157-M160 WeakPolarHBondContact O-CB 3.36Å; Y157-M160 PolarHBondContact O-N 3.13Å; M160-R163 PolarHBondContact O-N 3.1Å; M160-G164 PolarHBondContact O-N 2.97Å; M160-S165 WeakPolarHBondContact CA-O 3.43Å; M160-S165 WeakPolarHBondContact CB-O 3.37Å; M160-S165 PolarHBondContact O-N 3.32Å; M160-L168 HydrophobicContact CE-CD2 4.31Å; M160-L168 HydrophobicContact SD-CD2 3.87Å; M160-L168 HydrophobicContact SD-CG 3.97Å; M160-I213 HydrophobicContact CB-CD1 4.33Å
161L96.7Very high98Very high41 Ų4130.5 Ų30.522%0.21517%0.167CC..Hα-helixtrans-56.7-51.9172.8-86.4169.8000111.3Y157 R163 G164 H207 I213Y157-L161 HydrophobicContact CD1-CD1 3.82Å; Y157-L161 HydrophobicContact CD1-CG 4.46Å; Y157-L161 HydrophobicContact CD2-CD1 4.41Å; Y157-L161 HydrophobicContact CD2-CG 4.18Å; Y157-L161 HydrophobicContact CE1-CD1 3.3Å; Y157-L161 HydrophobicContact CE1-CG 3.98Å; Y157-L161 HydrophobicContact CE2-CD1 3.98Å; Y157-L161 HydrophobicContact CE2-CD2 4.16Å; Y157-L161 HydrophobicContact CE2-CG 3.67Å; Y157-L161 HydrophobicContact CG-CD1 4.35Å; Y157-L161 VanDerWaalsContact CZ-CD1 3.4Å; Y157-L161 PolarHBondContact O-N 3.21Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 2.96Å; L161-G164 PolarHBondContact O-N 3.26Å; L161-G164 VanDerWaalsContact O-N 3.13Å; L161-H207 HydrophobicContact CD2-CB 4.38Å; L161-I213 HydrophobicContact CD2-CD1 4Å; L161-I213 HydrophobicContact CG-CD1 4.21Å
162S96.3Very high97.8Very high112 Ų11227.9 Ų27.978%0.78316%0.158SC*.Hα-helixtrans-62.7-36.4179.4177.80000113P158 G164P158-S162 WeakPolarHBondContact O-CB 3.43Å; P158-S162 PolarHBondContact O-N 3.41Å; S162-G164 VanDerWaalsContact C-N 3.33Å
163R96.5Very high97.4Very high82 Ų8228.5 Ų28.531%0.30916%0.162SC..Hα-helixtrans-76.8-21.8177.4-173176.761.5-168.9-11.8112.3C114 A115 D116 M159 M160 L161 S165C114-R163 PolarHBondContact O-NH1 3.3Å; A115-R163 PolarHBondContact O-NH1 3.37Å; A115-R163 PolarHBondContact O-NH2 3.35Å; D116-R163 IonicContact OD1-NH1 2.76Å; M159-R163 VanDerWaalsContact O-CB 3.31Å; M159-R163 WeakPolarHBondContact O-CB 3.34Å; M159-R163 PolarHBondContact O-N 2.82Å; M160-R163 PolarHBondContact O-N 3.1Å; L161-R163 VanDerWaalsContact C-N 3.31Å; L161-R163 PolarHBondContact O-N 2.96Å; R163-S165 VanDerWaalsContact C-N 3.3Å; R163-S165 WeakPolarHBondContact CD-OG 3.48Å; R163-S165 PolarHBondContact NE-O 2.95Å; R163-S165 PolarHBondContact NE-OG 2.95Å; R163-S165 PolarHBondContact NH2-O 2.9Å
164G97.1Very high96.9Very high12 Ų1228.3 Ų28.312%0.12416%0.161CC..THydrogen-bonded Turntrans64.136.2-171.500000112.1M160 L161 S162 R212M160-G164 PolarHBondContact O-N 2.97Å; L161-G164 PolarHBondContact O-N 3.26Å; L161-G164 VanDerWaalsContact O-N 3.13Å; S162-G164 VanDerWaalsContact C-N 3.33Å; G164-R212 WeakPolarHBondContact O-CB 3.26Å; G164-R212 WeakPolarHBondContact O-CD 3.24Å
165S97.9Very high96.3Very high41 Ų4123 Ų2329%0.28714%0.14SC..  trans-162.5141172.164.80000112.3M160 R163 R212M160-S165 WeakPolarHBondContact CA-O 3.43Å; M160-S165 WeakPolarHBondContact CB-O 3.37Å; M160-S165 PolarHBondContact O-N 3.32Å; R163-S165 VanDerWaalsContact C-N 3.3Å; R163-S165 WeakPolarHBondContact CD-OG 3.48Å; R163-S165 PolarHBondContact NE-O 2.95Å; R163-S165 PolarHBondContact NE-OG 2.95Å; R163-S165 PolarHBondContact NH2-O 2.9Å; S165-R212 WeakPolarHBondContact CA-O 3.43Å
166G98.3Very high95.8Very high11 Ų1122.5 Ų22.511%0.11314%0.136CC..EExtended strand (participates in β ladder)trans170.4170.9174.200000113.7D116 R212 I213 K214D116-G166 CarbonylContact O-C 3.5Å; D116-G166 WeakPolarHBondContact O-CA 3.31Å; G166-R212 PolarHBondContact N-O 2.96Å; G166-I213 WeakPolarHBondContact O-CA 3.29Å; G166-K214 PolarHBondContact O-N 3.11Å
167H98.7Very high95.3Very high1 Ų122.5 Ų22.51%0.00514%0.136CC..EExtended strand (participates in β ladder)trans-139.7116.6172.2-163.8175000110.2K31 D116 I117 V118 K214 T216K31-H167 PolarHBondContact NZ-ND1 2.98Å; D116-H167 PolarHBondContact O-N 3.48Å; I117-H167 CarbonylContact C-O 3.45Å; I117-H167 VanDerWaalsContact CA-O 3.3Å; I117-H167 WeakPolarHBondContact CA-O 3.35Å; I117-H167 HydrophobicContact CB-CB 4.34Å; I117-H167 HydrophobicContact CG1-CB 3.99Å; I117-H167 HydrophobicContact CG2-CB 4.15Å; V118-H167 PolarHBondContact N-O 3.19Å; H167-K214 WeakPolarHBondContact CA-O 3.46Å; H167-K214 HydrophobicContact CB-CB 4.4Å; H167-K214 VanDerWaalsContact CD2-C 3.49Å; H167-K214 VanDerWaalsContact CD2-CB 3.43Å; H167-K214 WeakPolarHBondContact CD2-CB 3.39Å; H167-K214 PolarHBondContact CD2-O 3.39Å; H167-T216 PolarHBondContact CE1-OG1 3.01Å; H167-T216 PolarHBondContact NE2-OG1 3.42Å
168L98.7Very high94.7Very high1 Ų122.9 Ų22.91%0.00514%0.138CC..EExtended strand (participates in β ladder)trans-99.5124.1175.4-66.4169.9000109.8V118 I153 Y157 M160 M197 L200 K214 T215 T216V118-L168 HydrophobicContact CB-CD2 4.05Å; I153-L168 HydrophobicContact CG1-CD2 4.46Å; I153-L168 HydrophobicContact CG2-CD1 4.15Å; Y157-L168 HydrophobicContact CD2-CD1 3.65Å; Y157-L168 HydrophobicContact CE2-CD1 4.37Å; Y157-L168 HydrophobicContact CG-CD1 4.15Å; M160-L168 HydrophobicContact CE-CD2 4.31Å; M160-L168 HydrophobicContact SD-CD2 3.87Å; M160-L168 HydrophobicContact SD-CG 3.97Å; L168-M197 HydrophobicContact CB-CE 4.28Å; L168-M197 WeakPolarHBondContact O-CE 3.46Å; L168-L200 HydrophobicContact CD1-CD2 3.54Å; L168-K214 PolarHBondContact N-O 2.82Å; L168-T215 HydrophobicContact CB-CG2 4.43Å; L168-T215 CarbonylContact O-C 3.49Å; L168-T215 VanDerWaalsContact O-CA 3.24Å; L168-T215 WeakPolarHBondContact O-CA 3.4Å; L168-T216 PolarHBondContact O-N 3.04Å
169V98.8Very high94Very high0 Ų022 Ų220%014%0.141CC..EExtended strand (participates in β ladder)trans-121.8131.6-176.5-173.30000108.6I117 V118 I119 C120 I171 T216 V218 V271I117-V169 HydrophobicContact CG2-CG2 3.99Å; V118-V169 PolarHBondContact O-N 2.79Å; I119-V169 CarbonylContact C-O 3.59Å; I119-V169 WeakPolarHBondContact CA-O 3.34Å; I119-V169 HydrophobicContact CB-CB 4.31Å; I119-V169 HydrophobicContact CG1-CB 4.03Å; I119-V169 HydrophobicContact CG1-CG2 4.22Å; I119-V169 HydrophobicContact CG2-CB 4.17Å; I119-V169 HydrophobicContact CG2-CG1 4.14Å; C120-V169 PolarHBondContact N-O 3.01Å; V169-I171 HydrophobicContact CG1-CD1 4.3Å; V169-T216 CarbonylContact C-O 3.5Å; V169-T216 VanDerWaalsContact CA-O 3.27Å; V169-T216 WeakPolarHBondContact CA-O 3.48Å; V169-T216 HydrophobicContact CG1-CG2 4.15Å; V169-V218 HydrophobicContact CG1-CG2 4.11Å; V169-V271 HydrophobicContact CB-CG2 4.46Å; V169-V271 HydrophobicContact CG1-CG2 4.04Å; V169-V271 HydrophobicContact CG2-CG2 3.65Å
170A98.5Very high93.1Very high0 Ų020.8 Ų20.80%014%0.137CC..EExtended strand (participates in β ladder)trans-118.1121.9175.300000110.2Y149 S172 M197 T216 V218Y149-A170 HydrophobicContact CD1-CB 4.09Å; Y149-A170 HydrophobicContact CE1-CB 3.83Å; A170-S172 PolarHBondContact O-N 3.07Å; A170-M197 HydrophobicContact CB-CE 4.2Å; A170-M197 HydrophobicContact CB-CG 3.44Å; A170-M197 VanDerWaalsContact CB-CG 3.44Å; A170-M197 HydrophobicContact CB-SD 3.67Å; A170-T216 PolarHBondContact N-O 3.42Å; A170-V218 PolarHBondContact O-N 3.38Å
171I97.6Very high92.1Very high7 Ų723.2 Ų23.24%0.03615%0.154CC..EExtended strand (participates in β ladder)trans-83.194.3170.2-50-53.5000107.9I119 C120 Y149 V169 K190 V218 P220 V267I119-I171 HydrophobicContact CG2-CD1 4.06Å; I119-I171 HydrophobicContact CG2-CG1 3.98Å; C120-I171 PolarHBondContact O-N 3.48Å; Y149-I171 PolarHBondContact OH-O 3.36Å; V169-I171 HydrophobicContact CG1-CD1 4.3Å; I171-K190 PolarHBondContact O-NZ 3.35Å; I171-V218 HydrophobicContact CD1-CB 3.94Å; I171-V218 HydrophobicContact CD1-CG2 3.86Å; I171-P220 HydrophobicContact CG2-CG 4.12Å; I171-V267 HydrophobicContact CD1-CG1 3.86Å; I171-V267 HydrophobicContact CD1-CG2 3.87Å
172S94.8Very high91.6Very high3 Ų324.9 Ų24.92%0.02116%0.158CC..  trans-82.5-133.1172.2-170.70000109.5A170 K190 V218A170-S172 PolarHBondContact O-N 3.07Å; S172-K190 PolarHBondContact OG-O 3.38Å; S172-K190 VanDerWaalsContact OG-O 3.04Å; S172-V218 CarbonylContact C-O 3.53Å; S172-V218 VanDerWaalsContact CA-O 3.31Å; S172-V218 WeakPolarHBondContact CA-O 3.41Å; S172-V218 WeakPolarHBondContact CB-O 3.31Å; S172-V218 PolarHBondContact N-O 3.32Å
173S90.9Very high91.2Very high14 Ų1419.7 Ų19.710%0.09812%0.122CC..  trans-168.7162174.9178.70000107.9G175 G176 Y219S173-G175 PolarHBondContact O-N 3.46Å; S173-G175 VanDerWaalsContact O-N 3.1Å; S173-G175 PolarHBondContact OG-N 3.43Å; S173-G175 VanDerWaalsContact OG-N 3.11Å; S173-G176 PolarHBondContact O-N 3.36Å; S173-Y219 WeakPolarHBondContact O-CD1 3.18Å
174V88Confident91Very high3 Ų317.9 Ų17.92%0.01812%0.121CC..G310 helixtrans-53.8-24.2160.7-64.10000112.3G176 H177 F178 P220 A284V174-G176 PolarHBondContact O-N 3.31Å; V174-G176 VanDerWaalsContact O-N 3.11Å; V174-H177 WeakPolarHBondContact O-CB 3.29Å; V174-H177 PolarHBondContact O-N 3.2Å; V174-F178 HydrophobicContact CB-CE1 3.93Å; V174-F178 HydrophobicContact CB-CZ 3.9Å; V174-F178 HydrophobicContact CG2-CZ 3.98Å; V174-F178 PolarHBondContact O-N 2.81Å; V174-P220 PolarHBondContact N-O 3.26Å; V174-A284 HydrophobicContact CG1-CB 4.31Å
175G85.3Confident90.8Very high6 Ų617.6 Ų17.66%0.06212%0.118CC..G310 helixtrans-60.3-12.6168.400000115.3S173 F178 S187 F191S173-G175 PolarHBondContact O-N 3.46Å; S173-G175 VanDerWaalsContact O-N 3.1Å; S173-G175 PolarHBondContact OG-N 3.43Å; S173-G175 VanDerWaalsContact OG-N 3.11Å; G175-F178 CarbonylContact C-O 3.53Å; G175-F178 VanDerWaalsContact CA-O 3.31Å; G175-F178 WeakPolarHBondContact CA-O 3.47Å; G175-S187 VanDerWaalsContact O-CA 3.31Å; G175-S187 WeakPolarHBondContact O-CA 3.47Å; G175-S187 WeakPolarHBondContact O-CB 3.06Å; G175-F191 VanDerWaalsContact O-CD2 3.24Å; G175-F191 WeakPolarHBondContact O-CD2 3.25Å; G175-F191 VanDerWaalsContact O-CE2 3.26Å; G175-F191 WeakPolarHBondContact O-CE2 3.49Å
176G88.2Confident90.6Very high0 Ų016.6 Ų16.60%011%0.108CC..G310 helixtrans-86.9-3170.100000114.2S173 V174 K190 F191S173-G176 PolarHBondContact O-N 3.36Å; V174-G176 PolarHBondContact O-N 3.31Å; V174-G176 VanDerWaalsContact O-N 3.11Å; G176-K190 VanDerWaalsContact CA-C 3.49Å; G176-F191 WeakPolarHBondContact O-CD1 3.5Å; G176-F191 WeakPolarHBondContact O-CG 3.23Å
177H88.8Confident90.4Very high3 Ų316.3 Ų16.31%0.01410%0.104CC..THydrogen-bonded Turntrans-109.7-35.4171.7-80.6-98.6000112.3V174 F191 R194 Y219 Y279 C288 K292V174-H177 WeakPolarHBondContact O-CB 3.29Å; V174-H177 PolarHBondContact O-N 3.2Å; H177-F191 WeakPolarHBondContact O-CZ 3.42Å; H177-R194 PolarHBondContact CE1-NH1 2.98Å; H177-R194 PolarHBondContact ND1-NH1 2.94Å; H177-R194 VanDerWaalsContact ND1-NH1 3.11Å; H177-Y219 AromaticContact CD2-CD1 3.7Å; H177-Y219 AromaticContact CD2-CE1 3.78Å; H177-Y219 AromaticContact NE2-CD1 3.82Å; H177-Y219 AromaticContact NE2-CE1 3.58Å; H177-Y219 AromaticContact NE2-CE2 3.79Å; H177-Y219 AromaticContact NE2-CZ 3.53Å; H177-Y279 AromaticContact CE1-CE1 3.99Å; H177-Y279 AromaticContact CE1-CZ 3.98Å; H177-Y279 PolarHBondContact CE1-OH 2.89Å; H177-Y279 AromaticContact NE2-CE1 3.51Å; H177-Y279 AromaticContact NE2-CZ 3.71Å; H177-Y279 PolarHBondContact NE2-OH 3.11Å; H177-Y279 VanDerWaalsContact NE2-OH 3.08Å; H177-C288 HydrophobicContact CB-CB 3.82Å; H177-K292 WeakPolarHBondContact O-CE 3.22Å; H177-K292 PolarHBondContact O-NZ 3.07Å
178F84.2Confident90.2Very high29 Ų2918.3 Ų18.313%0.12712%0.121CC..SBendtrans-144.5151.9177.255.1-92.1000110.9V174 G175 L255 L291V174-F178 HydrophobicContact CB-CE1 3.93Å; V174-F178 HydrophobicContact CB-CZ 3.9Å; V174-F178 HydrophobicContact CG2-CZ 3.98Å; V174-F178 PolarHBondContact O-N 2.81Å; G175-F178 CarbonylContact C-O 3.53Å; G175-F178 VanDerWaalsContact CA-O 3.31Å; G175-F178 WeakPolarHBondContact CA-O 3.47Å; F178-L255 HydrophobicContact CZ-CD1 4.45Å; F178-L291 HydrophobicContact CD1-CD1 4.35Å; F178-L291 HydrophobicContact CE1-CD1 4.17Å; F178-L291 HydrophobicContact CZ-CD1 4.36Å
179G82.6Confident90.2Very high52 Ų5218.3 Ų18.354%0.53612%0.121SC..  trans-83.2153.2175.200000112
180C78.7Confident90.1Very high17 Ų1718.7 Ų18.712%0.11512%0.122CC..  trans-125.4159.7165.1-63.70000109.9S183 F246C180-S183 PolarHBondContact N-OG 3.1Å; C180-S183 PolarHBondContact O-N 2.92Å; C180-S183 PolarHBondContact O-OG 3.11Å; C180-F246 HydrophobicContact CB-CD2 3.69Å; C180-F246 HydrophobicContact CB-CE2 4.01Å
181S78.5Confident90Very high52 Ų5222.2 Ų22.236%0.36414%0.138SC..THydrogen-bonded Turntrans-58.6149.9170.2-51.90000109.6S183 S245S181-S183 PolarHBondContact O-N 3.35Å; S181-S245 PolarHBondContact N-OG 2.98Å; S181-S245 PolarHBondContact OG-OG 3.1Å
182Y85Confident90Very high77 Ų7723.6 Ų23.630%0.30215%0.15SC..THydrogen-bonded Turntrans66.55.9-176.2-54.3-93.7000115.5P127 K128 L129P127-Y182 CarbonylContact C-O 3.59Å; P127-Y182 WeakPolarHBondContact CA-O 3.43Å; K128-Y182 PolarHBondContact N-O 3.19Å; K128-Y182 CarbonylContact O-C 3.54Å; K128-Y182 VanDerWaalsContact O-CA 3.25Å; K128-Y182 WeakPolarHBondContact O-CA 3.44Å; L129-Y182 HydrophobicContact CD1-CE1 4.2Å; L129-Y182 HydrophobicContact CD2-CD1 4.11Å; L129-Y182 HydrophobicContact CD2-CD2 4.23Å; L129-Y182 HydrophobicContact CD2-CE1 3.91Å; L129-Y182 HydrophobicContact CD2-CE2 4.02Å; L129-Y182 HydrophobicContact CD2-CG 4.26Å; L129-Y182 HydrophobicContact CG-CD1 3.97Å; L129-Y182 HydrophobicContact CG-CE1 3.61Å
183S88.2Confident90.1Very high3 Ų323.4 Ų23.42%0.02115%0.149CC..BIsolated β-bridgetrans-132.826-177.276.90000113.2C180 S181 S185 Y186 S187C180-S183 PolarHBondContact N-OG 3.1Å; C180-S183 PolarHBondContact O-N 2.92Å; C180-S183 PolarHBondContact O-OG 3.11Å; S181-S183 PolarHBondContact O-N 3.35Å; S183-S185 PolarHBondContact O-N 3.26Å; S183-Y186 CarbonylContact O-C 3.47Å; S183-Y186 PolarHBondContact O-N 2.99Å; S183-S187 VanDerWaalsContact O-CB 3.31Å; S183-S187 WeakPolarHBondContact O-CB 3.26Å; S183-S187 PolarHBondContact O-N 3.18Å; S183-S187 PolarHBondContact O-OG 3.12Å; S183-S187 PolarHBondContact OG-OG 2.92Å
184S91.5Very high90.4Very high43 Ų4325.1 Ų25.130%0.30115%0.153SC..Hα-helixtrans-54.9-54.2-173.454.70000113.1A188S184-A188 VanDerWaalsContact O-CB 3.31Å; S184-A188 WeakPolarHBondContact O-CB 3.31Å; S184-A188 PolarHBondContact O-N 3.19Å
185S94Very high90.9Very high7 Ų726.7 Ų26.75%0.04917%0.17CC..Hα-helixtrans-66.1-38.2176.953.70000112.3N133 S183 S189N133-S185 PolarHBondContact OD1-OG 3.18Å; N133-S185 VanDerWaalsContact OD1-OG 3.12Å; S183-S185 PolarHBondContact O-N 3.26Å; S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 3.28Å
186Y93.8Very high91.5Very high19 Ų1927.5 Ų27.58%0.07517%0.173CC..Hα-helixtrans-64-52.5176.2178.1-97.5000112.3I124 L125 S183 A188 S189 K190 L227I124-Y186 VanDerWaalsContact O-CD2 3.27Å; I124-Y186 WeakPolarHBondContact O-CD2 3.28Å; L125-Y186 HydrophobicContact CB-CD2 3.91Å; L125-Y186 HydrophobicContact CB-CE2 4.2Å; L125-Y186 HydrophobicContact CB-CG 4.49Å; L125-Y186 VanDerWaalsContact CD1-CB 3.48Å; L125-Y186 HydrophobicContact CD1-CD1 4.19Å; L125-Y186 HydrophobicContact CD1-CD2 3.9Å; L125-Y186 HydrophobicContact CD1-CG 3.6Å; L125-Y186 HydrophobicContact CG-CD2 4.45Å; S183-Y186 CarbonylContact O-C 3.47Å; S183-Y186 PolarHBondContact O-N 2.99Å; Y186-A188 PolarHBondContact O-N 2.94Å; Y186-S189 WeakPolarHBondContact O-CB 3.4Å; Y186-S189 PolarHBondContact O-N 3.37Å; Y186-S189 VanDerWaalsContact O-N 3.13Å; Y186-S189 PolarHBondContact O-OG 2.79Å; Y186-K190 HydrophobicContact CD1-CG 4.3Å; Y186-K190 HydrophobicContact CE1-CG 3.9Å; Y186-K190 HydrophobicContact CE2-CG 4.23Å; Y186-K190 WeakPolarHBondContact O-CG 3.35Å; Y186-K190 PolarHBondContact O-N 3.18Å; Y186-K190 WeakPolarHBondContact OH-CE 3.36Å; Y186-L227 HydrophobicContact CE2-CD2 4.19Å
187S92.7Very high92Very high5 Ų527.6 Ų27.64%0.03517%0.173CC..Hα-helixtrans-58.2-50.2176.9-68.10000109.9G175 S183 S189 K190 F191G175-S187 VanDerWaalsContact O-CA 3.31Å; G175-S187 WeakPolarHBondContact O-CA 3.47Å; G175-S187 WeakPolarHBondContact O-CB 3.06Å; S183-S187 VanDerWaalsContact O-CB 3.31Å; S183-S187 WeakPolarHBondContact O-CB 3.26Å; S183-S187 PolarHBondContact O-N 3.18Å; S183-S187 PolarHBondContact O-OG 3.12Å; S183-S187 PolarHBondContact OG-OG 2.92Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 2.91Å; S187-K190 PolarHBondContact O-N 2.94Å; S187-F191 VanDerWaalsContact O-CD2 3.26Å; S187-F191 WeakPolarHBondContact O-CD2 3.24Å; S187-F191 PolarHBondContact O-N 2.86Å
188A96.2Very high92.4Very high44 Ų4430.8 Ų30.836%0.36419%0.189SC..Hα-helixtrans-53.2-43.1175.300000112.4F142 S184 Y186 K190 F191 A192F142-A188 HydrophobicContact CE2-CB 4.34Å; F142-A188 HydrophobicContact CZ-CB 3.87Å; S184-A188 VanDerWaalsContact O-CB 3.31Å; S184-A188 WeakPolarHBondContact O-CB 3.31Å; S184-A188 PolarHBondContact O-N 3.19Å; Y186-A188 PolarHBondContact O-N 2.94Å; A188-K190 PolarHBondContact O-N 3.44Å; A188-F191 PolarHBondContact O-N 3.23Å; A188-A192 PolarHBondContact O-N 2.99Å
189S97.4Very high93Very high0 Ų032.3 Ų32.30%020%0.202CC..Hα-helixtrans-64-36.117679.90000113.6N145 S185 Y186 S187 A192 A193N145-S189 VanDerWaalsContact CB-OG 3.29Å; N145-S189 WeakPolarHBondContact CB-OG 3.13Å; N145-S189 PolarHBondContact ND2-OG 3.07Å; S185-S189 WeakPolarHBondContact O-CB 3.49Å; S185-S189 PolarHBondContact O-N 3.28Å; Y186-S189 WeakPolarHBondContact O-CB 3.4Å; Y186-S189 PolarHBondContact O-N 3.37Å; Y186-S189 VanDerWaalsContact O-N 3.13Å; Y186-S189 PolarHBondContact O-OG 2.79Å; S187-S189 VanDerWaalsContact C-N 3.25Å; S187-S189 PolarHBondContact O-N 2.91Å; S189-A192 PolarHBondContact O-N 3.39Å; S189-A193 PolarHBondContact O-N 3.12Å
190K96.3Very high93.8Very high8 Ų830.1 Ų30.14%0.03518%0.179CC..Hα-helixtrans-77.6-29.7179.1-65.8-56.7-171.1176.50112.7I171 S172 G176 Y186 S187 A188 R194I171-K190 PolarHBondContact O-NZ 3.35Å; S172-K190 PolarHBondContact OG-O 3.38Å; S172-K190 VanDerWaalsContact OG-O 3.04Å; G176-K190 VanDerWaalsContact CA-C 3.49Å; Y186-K190 HydrophobicContact CD1-CG 4.3Å; Y186-K190 HydrophobicContact CE1-CG 3.9Å; Y186-K190 HydrophobicContact CE2-CG 4.23Å; Y186-K190 WeakPolarHBondContact O-CG 3.35Å; Y186-K190 PolarHBondContact O-N 3.18Å; Y186-K190 WeakPolarHBondContact OH-CE 3.36Å; S187-K190 PolarHBondContact O-N 2.94Å; A188-K190 PolarHBondContact O-N 3.44Å; K190-R194 PolarHBondContact O-N 2.94Å; K190-R194 VanDerWaalsContact O-N 3.1Å
191F96.5Very high94.6Very high75 Ų7532.7 Ų32.733%0.32919%0.189SC..Hα-helixtrans-64.4-43.5165.6-85.9-106.8000110.8G175 G176 H177 S187 A188 R194 G195G175-F191 VanDerWaalsContact O-CD2 3.24Å; G175-F191 WeakPolarHBondContact O-CD2 3.25Å; G175-F191 VanDerWaalsContact O-CE2 3.26Å; G175-F191 WeakPolarHBondContact O-CE2 3.49Å; G176-F191 WeakPolarHBondContact O-CD1 3.5Å; G176-F191 WeakPolarHBondContact O-CG 3.23Å; H177-F191 WeakPolarHBondContact O-CZ 3.42Å; S187-F191 VanDerWaalsContact O-CD2 3.26Å; S187-F191 WeakPolarHBondContact O-CD2 3.24Å; S187-F191 PolarHBondContact O-N 2.86Å; A188-F191 PolarHBondContact O-N 3.23Å; F191-R194 WeakPolarHBondContact O-CB 3.44Å; F191-R194 PolarHBondContact O-N 2.74Å; F191-G195 PolarHBondContact O-N 2.91Å
192A98.2Very high95.5Very high35 Ų3538.2 Ų38.229%0.28920%0.202SC..Hα-helixtrans-63.1-41.7176.400000112.2V146 A188 S189 R194 G195 L196V146-A192 HydrophobicContact CG1-CB 4.03Å; V146-A192 HydrophobicContact CG2-CB 3.79Å; A188-A192 PolarHBondContact O-N 2.99Å; S189-A192 PolarHBondContact O-N 3.39Å; A192-R194 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 2.94Å; A192-G195 PolarHBondContact O-N 3.38Å; A192-L196 WeakPolarHBondContact O-CB 3.48Å; A192-L196 PolarHBondContact O-N 2.8Å
193A97.6Very high96.1Very high0 Ų038.9 Ų38.90%021%0.208CC..Hα-helixtrans-60.8-39.9174.500000112.3Y149 S189 M197Y149-A193 HydrophobicContact CD1-CB 4.15Å; Y149-A193 HydrophobicContact CE1-CB 4.21Å; S189-A193 PolarHBondContact O-N 3.12Å; A193-M197 WeakPolarHBondContact O-CG 3.48Å; A193-M197 PolarHBondContact O-N 3.1Å
194R97.2Very high96.5Very high49 Ų4938.8 Ų38.819%0.18521%0.207CC..Hα-helixtrans-62.9-51.1173172.7175.9175-160.7-5.7111.6H177 K190 F191 A192 L196 M197 E198 Y219H177-R194 PolarHBondContact CE1-NH1 2.98Å; H177-R194 PolarHBondContact ND1-NH1 2.94Å; H177-R194 VanDerWaalsContact ND1-NH1 3.11Å; K190-R194 PolarHBondContact O-N 2.94Å; K190-R194 VanDerWaalsContact O-N 3.1Å; F191-R194 WeakPolarHBondContact O-CB 3.44Å; F191-R194 PolarHBondContact O-N 2.74Å; A192-R194 VanDerWaalsContact C-N 3.32Å; A192-R194 PolarHBondContact O-N 2.94Å; R194-L196 VanDerWaalsContact C-N 3.28Å; R194-L196 PolarHBondContact O-N 3.1Å; R194-M197 PolarHBondContact O-N 3.29Å; R194-M197 VanDerWaalsContact O-N 3.1Å; R194-E198 HydrophobicContact CG-CG 4.34Å; R194-E198 IonicContact CZ-OE1 3.35Å; R194-E198 IonicContact NE-OE1 2.77Å; R194-E198 PolarHBondContact NE-OE1 3.26Å; R194-E198 IonicContact NH2-OE1 3.06Å; R194-E198 PolarHBondContact NH2-OE1 2.8Å; R194-E198 PolarHBondContact O-N 3.2Å; R194-Y219 HydrophobicContact CB-CE1 4.26Å; R194-Y219 VanDerWaalsContact CD-OH 3.28Å; R194-Y219 WeakPolarHBondContact CD-OH 3.41Å; R194-Y219 HydrophobicContact CG-CE1 4.22Å; R194-Y219 WeakPolarHBondContact CG-OH 3.25Å; R194-Y219 PolarHBondContact NE-OH 3.05Å
195G97.9Very high96.8Very high36 Ų3643.6 Ų43.637%0.37122%0.22SC..Hα-helixtrans-60.2-36.8179.600000113F191 A192 S199F191-G195 PolarHBondContact O-N 2.91Å; A192-G195 PolarHBondContact O-N 3.38Å; G195-S199 WeakPolarHBondContact O-CB 3.43Å; G195-S199 PolarHBondContact O-N 3.28Å
196L98.3Very high96.9Very high23 Ų2349.3 Ų49.312%0.1225%0.25CC..Hα-helixtrans-58.5-49.2172.2170.456.2000111.6F150 I153 A192 R194 S199 L200F150-L196 HydrophobicContact CD1-CD1 3.92Å; F150-L196 HydrophobicContact CD1-CD2 4.27Å; F150-L196 HydrophobicContact CD2-CD2 3.96Å; F150-L196 HydrophobicContact CE1-CD1 3.45Å; F150-L196 VanDerWaalsContact CE1-CD1 3.45Å; F150-L196 HydrophobicContact CE1-CD2 4.31Å; F150-L196 HydrophobicContact CE1-CG 4.44Å; F150-L196 HydrophobicContact CE2-CD1 4.36Å; F150-L196 HydrophobicContact CE2-CD2 3.97Å; F150-L196 HydrophobicContact CG-CD2 4.11Å; F150-L196 HydrophobicContact CZ-CB 4.47Å; F150-L196 HydrophobicContact CZ-CD1 3.7Å; F150-L196 HydrophobicContact CZ-CD2 4.15Å; F150-L196 HydrophobicContact CZ-CG 4.33Å; I153-L196 HydrophobicContact CD1-CD2 3.96Å; I153-L196 HydrophobicContact CD1-CG 4.26Å; A192-L196 WeakPolarHBondContact O-CB 3.48Å; A192-L196 PolarHBondContact O-N 2.8Å; R194-L196 VanDerWaalsContact C-N 3.28Å; R194-L196 PolarHBondContact O-N 3.1Å; L196-S199 PolarHBondContact O-N 2.83Å; L196-L200 VanDerWaalsContact O-CB 3.31Å; L196-L200 WeakPolarHBondContact O-CB 3.38Å; L196-L200 PolarHBondContact O-N 3.42Å
197M98.3Very high97Very high2 Ų253.9 Ų53.91%0.0127%0.271CS..Hα-helixtrans-69-40.1-178.4-67.7-59.3-63.600112.8I153 L168 A170 A193 R194 L200 E201 T215 T217I153-M197 HydrophobicContact CD1-SD 3.88Å; L168-M197 HydrophobicContact CB-CE 4.28Å; L168-M197 WeakPolarHBondContact O-CE 3.46Å; A170-M197 HydrophobicContact CB-CE 4.2Å; A170-M197 HydrophobicContact CB-CG 3.44Å; A170-M197 VanDerWaalsContact CB-CG 3.44Å; A170-M197 HydrophobicContact CB-SD 3.67Å; A193-M197 WeakPolarHBondContact O-CG 3.48Å; A193-M197 PolarHBondContact O-N 3.1Å; R194-M197 PolarHBondContact O-N 3.29Å; R194-M197 VanDerWaalsContact O-N 3.1Å; M197-L200 PolarHBondContact O-N 2.62Å; M197-E201 PolarHBondContact O-N 3.2Å; M197-T215 HydrophobicContact CE-CG2 3.92Å; M197-T217 WeakPolarHBondContact CB-OG1 3.35Å
198E97.1Very high97.2Very high71 Ų7156.6 Ų56.633%0.33230%0.3SS..Hα-helixtrans-61.8-44.6174.8-71.9-179.1176.700111R194 L200 E201 W202R194-E198 HydrophobicContact CG-CG 4.34Å; R194-E198 IonicContact CZ-OE1 3.35Å; R194-E198 IonicContact NE-OE1 2.77Å; R194-E198 PolarHBondContact NE-OE1 3.26Å; R194-E198 IonicContact NH2-OE1 3.06Å; R194-E198 PolarHBondContact NH2-OE1 2.8Å; R194-E198 PolarHBondContact O-N 3.2Å; E198-L200 PolarHBondContact O-N 3.04Å; E198-E201 PolarHBondContact O-N 3.41Å; E198-W202 PolarHBondContact O-N 2.91Å
199S98Very high97.2Very high60 Ų6056.9 Ų56.942%0.4230%0.295SS..Hα-helixtrans-61.5-44.6175.3-170.40000111.7G195 L196 E201 W202 E203G195-S199 WeakPolarHBondContact O-CB 3.43Å; G195-S199 PolarHBondContact O-N 3.28Å; L196-S199 PolarHBondContact O-N 2.83Å; S199-E201 VanDerWaalsContact C-N 3.31Å; S199-E201 PolarHBondContact O-N 3.25Å; S199-W202 PolarHBondContact O-N 2.78Å; S199-E203 PolarHBondContact O-N 2.91Å
200L97.5Very high96.9Very high7 Ų759.1 Ų59.14%0.03731%0.31CS..Hα-helixtrans-66-33.1-178.3-176.160.1000112.8I153 Y157 L168 L196 M197 E198 W202 E203 I204I153-L200 HydrophobicContact CD1-CD2 4.23Å; I153-L200 HydrophobicContact CG2-CD2 3.67Å; Y157-L200 HydrophobicContact CD1-CD1 4.12Å; Y157-L200 HydrophobicContact CE1-CD1 3.69Å; Y157-L200 HydrophobicContact CE2-CD1 4.23Å; L168-L200 HydrophobicContact CD1-CD2 3.54Å; L196-L200 VanDerWaalsContact O-CB 3.31Å; L196-L200 WeakPolarHBondContact O-CB 3.38Å; L196-L200 PolarHBondContact O-N 3.42Å; M197-L200 PolarHBondContact O-N 2.62Å; E198-L200 PolarHBondContact O-N 3.04Å; L200-W202 VanDerWaalsContact C-N 3.34Å; L200-E203 PolarHBondContact O-N 2.98Å; L200-I204 HydrophobicContact CG-CD1 4.16Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.42Å; L200-I204 PolarHBondContact O-N 3.36Å
201E96.7Very high96.8Very high71 Ų7165.8 Ų65.833%0.33235%0.346SS..Hα-helixtrans-61.1-43.2173.3-176.3176.1-167.100111.6M197 E198 S199 I204 Y205 C276M197-E201 PolarHBondContact O-N 3.2Å; E198-E201 PolarHBondContact O-N 3.41Å; S199-E201 VanDerWaalsContact C-N 3.31Å; S199-E201 PolarHBondContact O-N 3.25Å; E201-I204 PolarHBondContact O-N 3.43Å; E201-Y205 PolarHBondContact O-N 2.97Å; E201-C276 PolarHBondContact OE1-SG 3.49Å; E201-C276 PolarHBondContact OE2-SG 2.87Å
202W97.4Very high96.8Very high167 Ų16769.8 Ų69.863%0.63336%0.359SS*.Hα-helixtrans-66.6-38.9174.3-72.4109.3000112.5E198 S199 L200 I204 Y205 D206E198-W202 PolarHBondContact O-N 2.91Å; S199-W202 PolarHBondContact O-N 2.78Å; L200-W202 VanDerWaalsContact C-N 3.34Å; W202-I204 VanDerWaalsContact C-N 3.32Å; W202-I204 PolarHBondContact O-N 3.44Å; W202-Y205 HydrophobicContact CE3-CD1 4.2Å; W202-Y205 HydrophobicContact CE3-CG 4.37Å; W202-Y205 HydrophobicContact CZ3-CD1 4.33Å; W202-Y205 WeakPolarHBondContact O-CA 3.49Å; W202-Y205 VanDerWaalsContact O-CB 3.31Å; W202-Y205 WeakPolarHBondContact O-CB 3.23Å; W202-Y205 PolarHBondContact O-N 3.31Å; W202-Y205 VanDerWaalsContact O-N 3.11Å; W202-D206 PolarHBondContact O-N 3.39Å
203E97.2Very high96.7Very high91 Ų9168.2 Ų68.243%0.42535%0.345SS..Hα-helixtrans-61-41.6173.4-69.6175.8-145.200111.6S199 L200 Y205 D206 H207S199-E203 PolarHBondContact O-N 2.91Å; L200-E203 PolarHBondContact O-N 2.98Å; E203-Y205 VanDerWaalsContact C-N 3.29Å; E203-Y205 PolarHBondContact O-N 3.32Å; E203-D206 PolarHBondContact O-N 3.15Å; E203-H207 PolarHBondContact O-CD2 2.72Å; E203-H207 PolarHBondContact O-N 3.49Å; E203-H207 VanDerWaalsContact O-N 3.09Å
204I97.4Very high96.8Very high2 Ų270.6 Ų70.61%0.0136%0.356CS..Hα-helixtrans-63.4-36.5174.3-70.7164.1000111.3Y157 L200 E201 W202 H207 G208 M209 I213 T215Y157-I204 HydrophobicContact CE2-CD1 3.97Å; Y157-I204 HydrophobicContact CE2-CG1 3.72Å; Y157-I204 VanDerWaalsContact OH-CG1 3.25Å; Y157-I204 WeakPolarHBondContact OH-CG1 3.35Å; L200-I204 HydrophobicContact CG-CD1 4.16Å; L200-I204 VanDerWaalsContact O-CG1 3.28Å; L200-I204 WeakPolarHBondContact O-CG1 3.42Å; L200-I204 PolarHBondContact O-N 3.36Å; E201-I204 PolarHBondContact O-N 3.43Å; W202-I204 VanDerWaalsContact C-N 3.32Å; W202-I204 PolarHBondContact O-N 3.44Å; I204-H207 PolarHBondContact O-N 3.02Å; I204-G208 PolarHBondContact O-N 2.88Å; I204-M209 HydrophobicContact CG2-CB 3.95Å; I204-M209 PolarHBondContact O-N 3.01Å; I204-I213 HydrophobicContact CD1-CB 4.39Å; I204-I213 HydrophobicContact CD1-CG2 3.74Å; I204-I213 HydrophobicContact CG1-CG2 4.33Å; I204-I213 HydrophobicContact CG2-CB 4.09Å; I204-T215 HydrophobicContact CD1-CG2 3.66Å
205Y96.4Very high96.8Very high143 Ų14368.9 Ų68.956%0.56135%0.351SS*.Hα-helixtrans-63.6-47.9174.3178.6-90.7000112.1E201 W202 E203 H207 G208 C210E201-Y205 PolarHBondContact O-N 2.97Å; W202-Y205 HydrophobicContact CE3-CD1 4.2Å; W202-Y205 HydrophobicContact CE3-CG 4.37Å; W202-Y205 HydrophobicContact CZ3-CD1 4.33Å; W202-Y205 WeakPolarHBondContact O-CA 3.49Å; W202-Y205 VanDerWaalsContact O-CB 3.31Å; W202-Y205 WeakPolarHBondContact O-CB 3.23Å; W202-Y205 PolarHBondContact O-N 3.31Å; W202-Y205 VanDerWaalsContact O-N 3.11Å; E203-Y205 VanDerWaalsContact C-N 3.29Å; E203-Y205 PolarHBondContact O-N 3.32Å; Y205-H207 PolarHBondContact O-N 3.2Å; Y205-G208 WeakPolarHBondContact O-CA 3.37Å; Y205-G208 PolarHBondContact O-N 3.47Å; Y205-C210 WeakPolarHBondContact CA-SG 3.22Å; Y205-C210 WeakPolarHBondContact CB-SG 3.35Å
206D96.9Very high96.8Very high128 Ų12867.2 Ų67.268%0.68433%0.333SS*.Hα-helixtrans-63.3-28.7178.6-69.2-16.5000112.1W202 E203 G208W202-D206 PolarHBondContact O-N 3.39Å; E203-D206 PolarHBondContact O-N 3.15Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 3.21Å
207H95.6Very high96.8Very high114 Ų11466.4 Ų66.453%0.52833%0.329SS..THydrogen-bonded Turntrans-76.4-5.2170.7-78.4-58.7000114.7L161 E203 I204 Y205 M209L161-H207 HydrophobicContact CD2-CB 4.38Å; E203-H207 PolarHBondContact O-CD2 2.72Å; E203-H207 PolarHBondContact O-N 3.49Å; E203-H207 VanDerWaalsContact O-N 3.09Å; I204-H207 PolarHBondContact O-N 3.02Å; Y205-H207 PolarHBondContact O-N 3.2Å; H207-M209 VanDerWaalsContact C-N 3.3Å; H207-M209 HydrophobicContact CB-CB 4.45Å; H207-M209 HydrophobicContact CB-CG 4.07Å; H207-M209 PolarHBondContact O-N 3.02Å
208G96.8Very high96.8Very high62 Ų6266.3 Ų66.364%0.63933%0.329SS*.THydrogen-bonded Turntrans70.423.5-176.400000113.8I204 Y205 D206I204-G208 PolarHBondContact O-N 2.88Å; Y205-G208 WeakPolarHBondContact O-CA 3.37Å; Y205-G208 PolarHBondContact O-N 3.47Å; D206-G208 VanDerWaalsContact C-N 3.27Å; D206-G208 PolarHBondContact O-N 3.21Å
209M96.4Very high96.7Very high51 Ų5162.9 Ų62.925%0.25131%0.313SS..  trans-108.35-169.1-69.1-67.3177.700114.6I204 H207 N211 R212 I213I204-M209 HydrophobicContact CG2-CB 3.95Å; I204-M209 PolarHBondContact O-N 3.01Å; H207-M209 VanDerWaalsContact C-N 3.3Å; H207-M209 HydrophobicContact CB-CB 4.45Å; H207-M209 HydrophobicContact CB-CG 4.07Å; H207-M209 PolarHBondContact O-N 3.02Å; M209-N211 PolarHBondContact O-N 3.41Å; M209-R212 WeakPolarHBondContact O-CA 3.28Å; M209-R212 PolarHBondContact O-N 3.33Å; M209-R212 HydrophobicContact SD-CB 4.41Å; M209-I213 HydrophobicContact CB-CD1 4.22Å; M209-I213 HydrophobicContact CB-CG1 4.35Å; M209-I213 PolarHBondContact O-N 2.96Å
210C92.4Very high96.4Very high46 Ų4660.3 Ų60.331%0.31129%0.294SS..THydrogen-bonded Turntrans-55.8-26.6-178.4-69.90000115.1Y205 R212 K214Y205-C210 WeakPolarHBondContact CA-SG 3.22Å; Y205-C210 WeakPolarHBondContact CB-SG 3.35Å; C210-R212 VanDerWaalsContact C-N 3.27Å; C210-R212 PolarHBondContact O-N 3.49Å; C210-K214 PolarHBondContact O-NZ 2.98Å
211N92.7Very high95.8Very high148 Ų14860.2 Ų60.279%0.79129%0.294SS*.THydrogen-bonded Turntrans-81.4-6.5176.9-68.6-30000113.4M209M209-N211 PolarHBondContact O-N 3.41Å
212R96.2Very high95Very high159 Ų15957.2 Ų57.260%0.628%0.28SS*.THydrogen-bonded Turntrans-127.7-39.1-167.8-69.3-174.1-174.3-122.73.1113.5G164 S165 G166 M209 C210G164-R212 WeakPolarHBondContact O-CB 3.26Å; G164-R212 WeakPolarHBondContact O-CD 3.24Å; S165-R212 WeakPolarHBondContact CA-O 3.43Å; G166-R212 PolarHBondContact N-O 2.96Å; M209-R212 WeakPolarHBondContact O-CA 3.28Å; M209-R212 PolarHBondContact O-N 3.33Å; M209-R212 HydrophobicContact SD-CB 4.41Å; C210-R212 VanDerWaalsContact C-N 3.27Å; C210-R212 PolarHBondContact O-N 3.49Å
213I98Very high93.9Very high3 Ų349.6 Ų49.62%0.01525%0.252CS..EExtended strand (participates in β ladder)trans-112.3122.8175.6-55.2177.2000107.3Y157 M160 L161 G166 I204 M209Y157-I213 HydrophobicContact CE2-CD1 4.37Å; Y157-I213 HydrophobicContact CE2-CG2 4.39Å; M160-I213 HydrophobicContact CB-CD1 4.33Å; L161-I213 HydrophobicContact CD2-CD1 4Å; L161-I213 HydrophobicContact CG-CD1 4.21Å; G166-I213 WeakPolarHBondContact O-CA 3.29Å; I204-I213 HydrophobicContact CD1-CB 4.39Å; I204-I213 HydrophobicContact CD1-CG2 3.74Å; I204-I213 HydrophobicContact CG1-CG2 4.33Å; I204-I213 HydrophobicContact CG2-CB 4.09Å; M209-I213 HydrophobicContact CB-CD1 4.22Å; M209-I213 HydrophobicContact CB-CG1 4.35Å; M209-I213 PolarHBondContact O-N 2.96Å
214K97.8Very high92.9Very high50 Ų5048.5 Ų48.522%0.21725%0.249CC..EExtended strand (participates in β ladder)trans-104.5154.3-178.8-56.1-57.9-177.6176.20110.6G166 H167 L168 C210 E274G166-K214 PolarHBondContact O-N 3.11Å; H167-K214 WeakPolarHBondContact CA-O 3.46Å; H167-K214 HydrophobicContact CB-CB 4.4Å; H167-K214 VanDerWaalsContact CD2-C 3.49Å; H167-K214 VanDerWaalsContact CD2-CB 3.43Å; H167-K214 WeakPolarHBondContact CD2-CB 3.39Å; H167-K214 PolarHBondContact CD2-O 3.39Å; L168-K214 PolarHBondContact N-O 2.82Å; C210-K214 PolarHBondContact O-NZ 2.98Å; K214-E274 VanDerWaalsContact CE-OE2 3.25Å; K214-E274 WeakPolarHBondContact CE-OE2 3.09Å
215T98.2Very high91.6Very high13 Ų1349.5 Ų49.58%0.0826%0.255CS..EExtended strand (participates in β ladder)trans-125.4142.9170.145.90000108.9L168 M197 I204 C276L168-T215 HydrophobicContact CB-CG2 4.43Å; L168-T215 CarbonylContact O-C 3.49Å; L168-T215 VanDerWaalsContact O-CA 3.24Å; L168-T215 WeakPolarHBondContact O-CA 3.4Å; M197-T215 HydrophobicContact CE-CG2 3.92Å; I204-T215 HydrophobicContact CD1-CG2 3.66Å; T215-C276 WeakPolarHBondContact O-CA 3.2Å
216T98.3Very high90.3Very high0 Ų046.5 Ų46.50%025%0.249CC..EExtended strand (participates in β ladder)trans-135124.6169.8-68.20000109.1H167 L168 V169 A170 V218 A270 K275 C276H167-T216 PolarHBondContact CE1-OG1 3.01Å; H167-T216 PolarHBondContact NE2-OG1 3.42Å; L168-T216 PolarHBondContact O-N 3.04Å; V169-T216 CarbonylContact C-O 3.5Å; V169-T216 VanDerWaalsContact CA-O 3.27Å; V169-T216 WeakPolarHBondContact CA-O 3.48Å; V169-T216 HydrophobicContact CG1-CG2 4.15Å; A170-T216 PolarHBondContact N-O 3.42Å; T216-V218 HydrophobicContact CG2-CG2 3.72Å; T216-A270 HydrophobicContact CG2-CB 4.08Å; T216-K275 WeakPolarHBondContact CA-O 3.28Å; T216-K275 VanDerWaalsContact CB-O 3.23Å; T216-K275 WeakPolarHBondContact CB-O 3.38Å; T216-K275 VanDerWaalsContact CG2-O 3.24Å; T216-K275 WeakPolarHBondContact CG2-O 3.49Å; T216-K275 PolarHBondContact OG1-O 2.87Å; T216-C276 CarbonylContact C-O 3.38Å; T216-C276 WeakPolarHBondContact CA-O 3.37Å
217T98.3Very high88.9Confident6 Ų642.6 Ų42.64%0.03723%0.228CC..EExtended strand (participates in β ladder)trans-103.6120.3166.3-520000109.3M197 Y219 C276 E277 A278M197-T217 WeakPolarHBondContact CB-OG1 3.35Å; T217-Y219 HydrophobicContact CG2-CD1 4.28Å; T217-Y219 HydrophobicContact CG2-CE1 3.51Å; T217-Y219 HydrophobicContact CG2-CE2 4Å; T217-Y219 WeakPolarHBondContact CG2-OH 3.31Å; T217-C276 PolarHBondContact N-O 3.37Å; T217-E277 WeakPolarHBondContact O-CA 3.39Å; T217-A278 PolarHBondContact O-N 2.82Å
218V97.6Very high87.5Confident0 Ų037.7 Ų37.70%021%0.206CC..EExtended strand (participates in β ladder)trans-100.7134.4178.3-168.20000109.8V169 A170 I171 S172 T216 P220 V267 A278 I280V169-V218 HydrophobicContact CG1-CG2 4.11Å; A170-V218 PolarHBondContact O-N 3.38Å; I171-V218 HydrophobicContact CD1-CB 3.94Å; I171-V218 HydrophobicContact CD1-CG2 3.86Å; S172-V218 CarbonylContact C-O 3.53Å; S172-V218 VanDerWaalsContact CA-O 3.31Å; S172-V218 WeakPolarHBondContact CA-O 3.41Å; S172-V218 WeakPolarHBondContact CB-O 3.31Å; S172-V218 PolarHBondContact N-O 3.32Å; T216-V218 HydrophobicContact CG2-CG2 3.72Å; V218-P220 VanDerWaalsContact C-CD 3.5Å; V218-P220 HydrophobicContact CG1-CG 4.1Å; V218-P220 WeakPolarHBondContact O-CD 3.38Å; V218-V267 HydrophobicContact CG1-CG2 4Å; V218-V267 HydrophobicContact CG2-CG2 4.47Å; V218-A278 CarbonylContact C-O 3.56Å; V218-A278 WeakPolarHBondContact CA-O 3.17Å; V218-A278 HydrophobicContact CG1-CB 4.4Å; V218-A278 HydrophobicContact CG2-CB 4.44Å; V218-I280 HydrophobicContact CG1-CD1 3.33Å; V218-I280 HydrophobicContact CG1-CG1 3.93Å
219Y95Very high85.6Confident0 Ų040.8 Ų40.80%020%0.203CC..EExtended strand (participates in β ladder)trans-118.980.3177.9-50.5-77.6000110.3S173 H177 R194 T217 E277 A278 Y279 I280S173-Y219 WeakPolarHBondContact O-CD1 3.18Å; H177-Y219 AromaticContact CD2-CD1 3.7Å; H177-Y219 AromaticContact CD2-CE1 3.78Å; H177-Y219 AromaticContact NE2-CD1 3.82Å; H177-Y219 AromaticContact NE2-CE1 3.58Å; H177-Y219 AromaticContact NE2-CE2 3.79Å; H177-Y219 AromaticContact NE2-CZ 3.53Å; R194-Y219 HydrophobicContact CB-CE1 4.26Å; R194-Y219 VanDerWaalsContact CD-OH 3.28Å; R194-Y219 WeakPolarHBondContact CD-OH 3.41Å; R194-Y219 HydrophobicContact CG-CE1 4.22Å; R194-Y219 WeakPolarHBondContact CG-OH 3.25Å; R194-Y219 PolarHBondContact NE-OH 3.05Å; T217-Y219 HydrophobicContact CG2-CD1 4.28Å; T217-Y219 HydrophobicContact CG2-CE1 3.51Å; T217-Y219 HydrophobicContact CG2-CE2 4Å; T217-Y219 WeakPolarHBondContact CG2-OH 3.31Å; Y219-E277 HydrophobicContact CE2-CB 4.01Å; Y219-E277 HydrophobicContact CE2-CG 4.02Å; Y219-E277 VanDerWaalsContact CE2-OE1 3.28Å; Y219-E277 WeakPolarHBondContact CE2-OE1 3.29Å; Y219-E277 PolarHBondContact OH-OE1 2.62Å; Y219-A278 PolarHBondContact N-O 3.41Å; Y219-Y279 AromaticContact CD2-CD1 3.9Å; Y219-Y279 HydrophobicContact CD2-CD1 3.9Å; Y219-Y279 HydrophobicContact CD2-CD2 4.42Å; Y219-Y279 AromaticContact CD2-CE1 3.56Å; Y219-Y279 HydrophobicContact CD2-CE1 3.56Å; Y219-Y279 HydrophobicContact CD2-CE2 4.14Å; Y219-Y279 HydrophobicContact CD2-CG 4.31Å; Y219-Y279 AromaticContact CD2-CZ 3.69Å; Y219-Y279 HydrophobicContact CE2-CE1 4.17Å; Y219-Y279 HydrophobicContact CE2-CE2 4.39Å; Y219-Y279 AromaticContact CE2-CZ 3.91Å; Y219-Y279 HydrophobicContact CG-CD1 4.17Å; Y219-Y279 AromaticContact CG-CE1 3.95Å; Y219-Y279 HydrophobicContact CG-CE1 3.95Å; Y219-I280 PolarHBondContact O-N 3.09Å; Y219-I280 VanDerWaalsContact O-N 3.1Å
220P91.9Very high83.5Confident5 Ų545.7 Ų45.73%0.03222%0.224CC..EExtended strand (participates in β ladder)trans-65.6139.1170.4-2033.9000111.5I47 I171 V174 V218 T263I47-P220 HydrophobicContact CD1-CG 4.46Å; I171-P220 HydrophobicContact CG2-CG 4.12Å; V174-P220 PolarHBondContact N-O 3.26Å; V218-P220 VanDerWaalsContact C-CD 3.5Å; V218-P220 HydrophobicContact CG1-CG 4.1Å; V218-P220 WeakPolarHBondContact O-CD 3.38Å; P220-T263 HydrophobicContact CB-CG2 3.79Å; P220-T263 HydrophobicContact CG-CG2 3.95Å
221C84.9Confident81.5Confident5 Ų545.1 Ų45.13%0.03422%0.22CC..  trans-65.8-171.7156.2-78.80000110.4T223 L258 I280 A284C221-T223 PolarHBondContact O-N 3.26Å; C221-T223 VanDerWaalsContact O-N 3.11Å; C221-T223 PolarHBondContact O-OG1 2.98Å; C221-L258 HydrophobicContact CB-CD1 4.49Å; C221-I280 WeakPolarHBondContact CB-O 3.34Å; C221-I280 PolarHBondContact N-O 3.23Å; C221-A284 WeakPolarHBondContact SG-CB 3.19Å
222F78.8Confident79.5Confident9 Ų943.5 Ų43.54%0.03921%0.211CC..  trans-58.6117.6176.9-48.1-56.7000110.5L228 F246 C249 I250 L255 L257 L258F222-L228 HydrophobicContact CB-CD1 4Å; F222-F246 AromaticContact CD1-CD1 3.63Å; F222-F246 HydrophobicContact CD1-CD1 3.63Å; F222-F246 AromaticContact CD1-CE1 3.08Å; F222-F246 HydrophobicContact CD1-CE1 3.08Å; F222-F246 AromaticContact CD1-CZ 3.64Å; F222-F246 HydrophobicContact CD1-CZ 3.64Å; F222-F246 AromaticContact CE1-CD1 3.39Å; F222-F246 HydrophobicContact CE1-CD1 3.39Å; F222-F246 HydrophobicContact CE1-CD2 4.08Å; F222-F246 AromaticContact CE1-CE1 3.05Å; F222-F246 HydrophobicContact CE1-CE1 3.05Å; F222-F246 AromaticContact CE1-CE2 3.77Å; F222-F246 HydrophobicContact CE1-CE2 3.77Å; F222-F246 AromaticContact CE1-CG 3.91Å; F222-F246 HydrophobicContact CE1-CG 3.91Å; F222-F246 AromaticContact CE1-CZ 3.26Å; F222-F246 HydrophobicContact CE1-CZ 3.26Å; F222-F246 HydrophobicContact CG-CD1 4.42Å; F222-F246 HydrophobicContact CG-CE1 4.16Å; F222-F246 AromaticContact CZ-CD1 3.99Å; F222-F246 HydrophobicContact CZ-CD1 3.99Å; F222-F246 HydrophobicContact CZ-CD2 4.49Å; F222-F246 HydrophobicContact CZ-CE1 4.08Å; F222-F246 HydrophobicContact CZ-CG 4.23Å; F222-F246 HydrophobicContact CZ-CZ 4.36Å; F222-C249 HydrophobicContact CE2-CB 3.87Å; F222-C249 HydrophobicContact CZ-CB 4.37Å; F222-I250 HydrophobicContact CB-CD1 4.28Å; F222-I250 HydrophobicContact CD2-CD1 3.9Å; F222-I250 HydrophobicContact CD2-CG1 3.61Å; F222-I250 HydrophobicContact CE2-CG1 4.03Å; F222-I250 HydrophobicContact CG-CD1 4.1Å; F222-I250 HydrophobicContact CG-CG1 4.32Å; F222-L255 HydrophobicContact CD2-CB 4.22Å; F222-L255 HydrophobicContact CE2-CB 4.15Å; F222-L255 HydrophobicContact CE2-CD1 3.94Å; F222-L257 HydrophobicContact CB-CD1 3.77Å; F222-L257 WeakPolarHBondContact O-CA 3.38Å; F222-L258 PolarHBondContact O-N 3.1Å
223T74.8Confident77.3Confident7 Ų737.8 Ų37.84%0.04319%0.194CC..BIsolated β-bridgetrans-113.9130.9175.8-530000108.8I47 C221 T225 L228 L258 V260 T263I47-T223 HydrophobicContact CD1-CG2 4.3Å; I47-T223 HydrophobicContact CG1-CG2 4.18Å; C221-T223 PolarHBondContact O-N 3.26Å; C221-T223 VanDerWaalsContact O-N 3.11Å; C221-T223 PolarHBondContact O-OG1 2.98Å; T223-T225 HydrophobicContact CG2-CG2 3.88Å; T223-T225 PolarHBondContact O-N 2.98Å; T223-T225 PolarHBondContact O-OG1 3.13Å; T223-L228 WeakPolarHBondContact O-CD1 3.47Å; T223-L258 WeakPolarHBondContact CA-O 3.34Å; T223-V260 HydrophobicContact CG2-CG2 4.22Å; T223-T263 HydrophobicContact CG2-CG2 4.28Å; T223-T263 WeakPolarHBondContact CG2-OG1 3.49Å; T223-T263 WeakPolarHBondContact OG1-CG2 3.31Å; T223-T263 PolarHBondContact OG1-OG1 2.95Å
224D75.9Confident74.9Confident67 Ų6743.4 Ų43.436%0.35822%0.22SC..  trans-66.690.6179.9-167.715.8000111.5H234 L257 L258 V260D224-H234 IonicContact OD1-CD2 3.81Å; D224-H234 IonicContact OD1-CE1 3.75Å; D224-H234 IonicContact OD1-NE2 2.83Å; D224-H234 PolarHBondContact OD1-NE2 3.41Å; D224-H234 IonicContact OD2-CE1 3.22Å; D224-H234 PolarHBondContact OD2-CE1 2.99Å; D224-H234 VanDerWaalsContact OD2-CE1 3.22Å; D224-H234 IonicContact OD2-NE2 3.01Å; D224-H234 PolarHBondContact OD2-NE2 2.77Å; D224-L257 HydrophobicContact CB-CD1 4.47Å; D224-L257 HydrophobicContact CB-CD2 4.18Å; D224-L257 HydrophobicContact CB-CG 4.27Å; D224-L258 PolarHBondContact N-O 3.32Å; D224-V260 WeakPolarHBondContact O-CG2 3.49Å
225T70.4Confident72.1Confident23 Ų2343.4 Ų43.414%0.14123%0.226CC..SBendtrans-134.8164.7-177.4570000109.1I47 T223 L227 L228 Q229 V260I47-T225 HydrophobicContact CG1-CG2 4.25Å; T223-T225 HydrophobicContact CG2-CG2 3.88Å; T223-T225 PolarHBondContact O-N 2.98Å; T223-T225 PolarHBondContact O-OG1 3.13Å; T225-L227 PolarHBondContact O-N 3.15Å; T225-L227 WeakPolarHBondContact OG1-CB 3.16Å; T225-L227 PolarHBondContact OG1-N 3.03Å; T225-L228 PolarHBondContact O-N 3.02Å; T225-Q229 PolarHBondContact O-N 2.86Å; T225-V260 HydrophobicContact CG2-CG2 3.84Å
226N68.9Low69.3Low80 Ų8048.2 Ų48.243%0.42826%0.257SS..Hα-helixtrans-54.6-23.3172.5-66.8-10.4000113Q45 L228 Q229Q45-N226 PolarHBondContact OE1-ND2 2.93Å; N226-L228 PolarHBondContact O-N 2.9Å; N226-Q229 WeakPolarHBondContact O-CB 3.4Å; N226-Q229 PolarHBondContact O-N 3.05Å
227L67.7Low66.6Low47 Ų4757.6 Ų57.625%0.24629%0.294CS..Hα-helixtrans-60-35.2175.5-16569.8000112.2L125 Y186 T225L125-L227 HydrophobicContact CB-CD1 3.58Å; L125-L227 HydrophobicContact CB-CD2 4.47Å; L125-L227 HydrophobicContact CB-CG 3.78Å; L125-L227 HydrophobicContact CD2-CG 4.46Å; L125-L227 VanDerWaalsContact N-CD1 3.31Å; Y186-L227 HydrophobicContact CE2-CD2 4.19Å; T225-L227 PolarHBondContact O-N 3.15Å; T225-L227 WeakPolarHBondContact OG1-CB 3.16Å; T225-L227 PolarHBondContact OG1-N 3.03Å
228L66.9Low63.8Low10 Ų1060.1 Ų60.15%0.05231%0.309CS..Hα-helixtrans-96.1-3.9179-63.6-173.4000113.6L125 F222 T223 T225 N226 F230 C231 V233 F246 L257L125-L228 HydrophobicContact CD2-CD2 4.04Å; F222-L228 HydrophobicContact CB-CD1 4Å; T223-L228 WeakPolarHBondContact O-CD1 3.47Å; T225-L228 PolarHBondContact O-N 3.02Å; N226-L228 PolarHBondContact O-N 2.9Å; L228-F230 PolarHBondContact O-N 2.97Å; L228-C231 WeakPolarHBondContact O-CA 3.47Å; L228-C231 VanDerWaalsContact O-CB 3.31Å; L228-C231 WeakPolarHBondContact O-CB 3.27Å; L228-C231 PolarHBondContact O-N 3.49Å; L228-V233 HydrophobicContact CB-CG1 4.46Å; L228-V233 HydrophobicContact CB-CG2 4.32Å; L228-F246 HydrophobicContact CD2-CE1 3.63Å; L228-F246 HydrophobicContact CD2-CZ 4.15Å; L228-L257 HydrophobicContact CD1-CD1 4.26Å
229Q57.3Low60.5Low127 Ų12764.6 Ų64.659%0.59334%0.341SS*.Hα-helixtrans-60.1-31.9-177.2-168.8174.48.300112T225 N226 C231T225-Q229 PolarHBondContact O-N 2.86Å; N226-Q229 WeakPolarHBondContact O-CB 3.4Å; N226-Q229 PolarHBondContact O-N 3.05Å; Q229-C231 VanDerWaalsContact C-N 3.26Å; Q229-C231 PolarHBondContact O-N 3.44Å
230F51.5Low57.5Low154 Ų15470.9 Ų70.968%0.67538%0.38SS*.THydrogen-bonded Turntrans-76.7-8.3174.8-59.9-70.6000114.4P127 L228P127-F230 HydrophobicContact CG-CB 3.73Å; L228-F230 PolarHBondContact O-N 2.97Å
231C51.4Low54.9Low35 Ų3576.8 Ų76.824%0.23642%0.415CS..THydrogen-bonded Turntrans-92.66.1-179.8-61.10000113.3L228 Q229 V233L228-C231 WeakPolarHBondContact O-CA 3.47Å; L228-C231 VanDerWaalsContact O-CB 3.31Å; L228-C231 WeakPolarHBondContact O-CB 3.27Å; L228-C231 PolarHBondContact O-N 3.49Å; Q229-C231 VanDerWaalsContact C-N 3.26Å; Q229-C231 PolarHBondContact O-N 3.44Å; C231-V233 HydrophobicContact CB-CG1 3.97Å; C231-V233 PolarHBondContact O-N 3.43Å; C231-V233 VanDerWaalsContact O-N 3.12Å
232N49.1Very low52.7Low113 Ų11378.8 Ų78.860%0.60443%0.429SS*.THydrogen-bonded Turntrans51.233.6180-74-26.2000114.8H234 S235N232-H234 PolarHBondContact O-N 3.21Å; N232-H234 VanDerWaalsContact O-N 3.07Å; N232-S235 PolarHBondContact O-N 3.06Å
233V51.2Low51.3Low39 Ų3987.2 Ų87.224%0.23647%0.468CS..THydrogen-bonded Turntrans-63.8-16.5-174.5-670000114.6L228 C231 I250L228-V233 HydrophobicContact CB-CG1 4.46Å; L228-V233 HydrophobicContact CB-CG2 4.32Å; C231-V233 HydrophobicContact CB-CG1 3.97Å; C231-V233 PolarHBondContact O-N 3.43Å; C231-V233 VanDerWaalsContact O-N 3.12Å; V233-I250 HydrophobicContact CG1-CD1 4.22Å
234H47.7Very low50.4Low121 Ų12187.7 Ų87.756%0.5647%0.472SS*.THydrogen-bonded Turntrans-101.22.5-175.7-73.6-65.5000115.4D224 N232 P236D224-H234 IonicContact OD1-CD2 3.81Å; D224-H234 IonicContact OD1-CE1 3.75Å; D224-H234 IonicContact OD1-NE2 2.83Å; D224-H234 PolarHBondContact OD1-NE2 3.41Å; D224-H234 IonicContact OD2-CE1 3.22Å; D224-H234 PolarHBondContact OD2-CE1 2.99Å; D224-H234 VanDerWaalsContact OD2-CE1 3.22Å; D224-H234 IonicContact OD2-NE2 3.01Å; D224-H234 PolarHBondContact OD2-NE2 2.77Å; N232-H234 PolarHBondContact O-N 3.21Å; N232-H234 VanDerWaalsContact O-N 3.07Å; H234-P236 VanDerWaalsContact O-CD 3.22Å; H234-P236 WeakPolarHBondContact O-CD 3.38Å
235S39.2Very low49.5Very low50 Ų5086.4 Ų86.435%0.3547%0.468SS..  trans-88.4113.7-177.8-176.20000112.2N232 Y237N232-S235 PolarHBondContact O-N 3.06Å; S235-Y237 PolarHBondContact O-N 3.13Å; S235-Y237 PolarHBondContact OG-N 3.32Å
236P39.3Very low48.9Very low114 Ų11486.3 Ų86.374%0.7447%0.466SS*.THydrogen-bonded Turntrans-760.2173.924.2-18.1000113.1H234H234-P236 VanDerWaalsContact O-CD 3.22Å; H234-P236 WeakPolarHBondContact O-CD 3.38Å
237Y40.8Very low48.2Very low198 Ų19885.7 Ų85.778%0.77646%0.461SS*.THydrogen-bonded Turntrans-122.213.7-171-72.3-78.7000115.2S235 S239S235-Y237 PolarHBondContact O-N 3.13Å; S235-Y237 PolarHBondContact OG-N 3.32Å; Y237-S239 PolarHBondContact O-N 2.86Å
238V38.8Very low47.6Very low58 Ų5885.2 Ų85.235%0.35246%0.464SS..  trans-79.873.3169.9-1720000109.2
239S30Very low47.1Very low94 Ų9486 Ų8666%0.65747%0.469SS*.  trans-78.2127155.8510000107.4Y237Y237-S239 PolarHBondContact O-N 2.86Å
240T31.2Very low47.2Very low133 Ų13381.8 Ų81.882%0.81645%0.45SS*.SBendtrans107.6-16.6154.868.70000123.6
241V36.9Very low47.1Very low128 Ų12881 Ų8178%0.77645%0.448SS*.SBendtrans-147.431.9-175.9-150.10000118.8
242S38.4Very low47.3Very low48 Ų4887.1 Ų87.134%0.33647%0.468SS..  trans-153.694.3160.867.20000113.3S244 Q247S242-S244 PolarHBondContact O-N 2.94Å; S242-Q247 PolarHBondContact O-OE1 3.26Å
243H50.4Low47.7Very low185 Ų18592.5 Ų92.586%0.85648%0.48SS*.  trans-72.963.7169.4-72.2-81000110.8
244S55.4Low48.1Very low17 Ų1794.2 Ų94.212%0.11949%0.487CS..  trans-74.6130.8167.475.20000108.5S242 F246 Q247 A248S242-S244 PolarHBondContact O-N 2.94Å; S244-F246 PolarHBondContact O-N 3.28Å; S244-F246 VanDerWaalsContact O-N 3.16Å; S244-Q247 PolarHBondContact O-N 3.46Å; S244-Q247 WeakPolarHBondContact OG-CB 3.4Å; S244-Q247 PolarHBondContact OG-N 3.21Å; S244-Q247 VanDerWaalsContact OG-N 3.13Å; S244-A248 PolarHBondContact O-N 2.99Å; S244-A248 VanDerWaalsContact O-N 3.15Å
245S58.2Low49.2Very low41 Ų4188.6 Ų88.629%0.28746%0.461SS..Hα-helixtrans-55.9-28.517213.30000111.2S181 A248 C249S181-S245 PolarHBondContact N-OG 2.98Å; S181-S245 PolarHBondContact OG-OG 3.1Å; S245-A248 PolarHBondContact O-N 3.33Å; S245-C249 PolarHBondContact O-N 3.39Å; S245-C249 PolarHBondContact O-SG 3.32Å
246F55.9Low50.8Low21 Ų2192.7 Ų92.79%0.09247%0.469CS..Hα-helixtrans-51.7-55.9167.8-110.5-99.6000112.8C180 F222 L228 S244 A248 C249 I250C180-F246 HydrophobicContact CB-CD2 3.69Å; C180-F246 HydrophobicContact CB-CE2 4.01Å; F222-F246 AromaticContact CD1-CD1 3.63Å; F222-F246 HydrophobicContact CD1-CD1 3.63Å; F222-F246 AromaticContact CD1-CE1 3.08Å; F222-F246 HydrophobicContact CD1-CE1 3.08Å; F222-F246 AromaticContact CD1-CZ 3.64Å; F222-F246 HydrophobicContact CD1-CZ 3.64Å; F222-F246 AromaticContact CE1-CD1 3.39Å; F222-F246 HydrophobicContact CE1-CD1 3.39Å; F222-F246 HydrophobicContact CE1-CD2 4.08Å; F222-F246 AromaticContact CE1-CE1 3.05Å; F222-F246 HydrophobicContact CE1-CE1 3.05Å; F222-F246 AromaticContact CE1-CE2 3.77Å; F222-F246 HydrophobicContact CE1-CE2 3.77Å; F222-F246 AromaticContact CE1-CG 3.91Å; F222-F246 HydrophobicContact CE1-CG 3.91Å; F222-F246 AromaticContact CE1-CZ 3.26Å; F222-F246 HydrophobicContact CE1-CZ 3.26Å; F222-F246 HydrophobicContact CG-CD1 4.42Å; F222-F246 HydrophobicContact CG-CE1 4.16Å; F222-F246 AromaticContact CZ-CD1 3.99Å; F222-F246 HydrophobicContact CZ-CD1 3.99Å; F222-F246 HydrophobicContact CZ-CD2 4.49Å; F222-F246 HydrophobicContact CZ-CE1 4.08Å; F222-F246 HydrophobicContact CZ-CG 4.23Å; F222-F246 HydrophobicContact CZ-CZ 4.36Å; L228-F246 HydrophobicContact CD2-CE1 3.63Å; L228-F246 HydrophobicContact CD2-CZ 4.15Å; S244-F246 PolarHBondContact O-N 3.28Å; S244-F246 VanDerWaalsContact O-N 3.16Å; F246-A248 VanDerWaalsContact C-N 3.29Å; F246-A248 PolarHBondContact O-N 3.12Å; F246-C249 PolarHBondContact O-N 2.99Å; F246-I250 WeakPolarHBondContact O-CG1 3.05Å; F246-I250 PolarHBondContact O-N 3.43Å
247Q54.7Low52.7Low67 Ų6789.3 Ų89.331%0.31344%0.444SS..Hα-helixtrans-66.8-35.5-178.7-166.4173.61.800110.7S242 S244 I250 H251S242-Q247 PolarHBondContact O-OE1 3.26Å; S244-Q247 PolarHBondContact O-N 3.46Å; S244-Q247 WeakPolarHBondContact OG-CB 3.4Å; S244-Q247 PolarHBondContact OG-N 3.21Å; S244-Q247 VanDerWaalsContact OG-N 3.13Å; Q247-I250 PolarHBondContact O-N 3.21Å; Q247-H251 WeakPolarHBondContact O-CA 3.33Å; Q247-H251 WeakPolarHBondContact O-CB 3.34Å; Q247-H251 PolarHBondContact O-N 2.92Å
248A55.3Low54.8Low37 Ų3780.3 Ų80.331%0.30641%0.409SS..Hα-helixtrans-61.5-50.3173.900000112.1S244 S245 F246 I250 H251 Y252S244-A248 PolarHBondContact O-N 2.99Å; S244-A248 VanDerWaalsContact O-N 3.15Å; S245-A248 PolarHBondContact O-N 3.33Å; F246-A248 VanDerWaalsContact C-N 3.29Å; F246-A248 PolarHBondContact O-N 3.12Å; A248-I250 VanDerWaalsContact C-N 3.28Å; A248-I250 PolarHBondContact O-N 3.16Å; A248-H251 PolarHBondContact O-N 3.38Å; A248-Y252 HydrophobicContact CB-CD2 4.05Å; A248-Y252 HydrophobicContact CB-CE2 4.06Å; A248-Y252 WeakPolarHBondContact O-CB 3.49Å; A248-Y252 WeakPolarHBondContact O-CD2 3.38Å; A248-Y252 PolarHBondContact O-N 2.93Å
249C57.5Low57.3Low26 Ų2680.6 Ų80.618%0.17641%0.411CS..Hα-helixtrans-59.1-38.2-179.8-71.90000113F222 S245 F246 I254 L255F222-C249 HydrophobicContact CE2-CB 3.87Å; F222-C249 HydrophobicContact CZ-CB 4.37Å; S245-C249 PolarHBondContact O-N 3.39Å; S245-C249 PolarHBondContact O-SG 3.32Å; F246-C249 PolarHBondContact O-N 2.99Å; C249-I254 PolarHBondContact O-N 3.29Å; C249-L255 PolarHBondContact O-N 3.27Å
250I58.3Low60.3Low38 Ų3877.8 Ų77.820%0.19539%0.39CS..Hα-helixtrans-75.4-47.1177-62.8172.5000110.8F222 V233 F246 Q247 A248 Y252 R253F222-I250 HydrophobicContact CB-CD1 4.28Å; F222-I250 HydrophobicContact CD2-CD1 3.9Å; F222-I250 HydrophobicContact CD2-CG1 3.61Å; F222-I250 HydrophobicContact CE2-CG1 4.03Å; F222-I250 HydrophobicContact CG-CD1 4.1Å; F222-I250 HydrophobicContact CG-CG1 4.32Å; V233-I250 HydrophobicContact CG1-CD1 4.22Å; F246-I250 WeakPolarHBondContact O-CG1 3.05Å; F246-I250 PolarHBondContact O-N 3.43Å; Q247-I250 PolarHBondContact O-N 3.21Å; A248-I250 VanDerWaalsContact C-N 3.28Å; A248-I250 PolarHBondContact O-N 3.16Å; I250-Y252 PolarHBondContact O-N 3.25Å; I250-R253 WeakPolarHBondContact O-CA 3.29Å; I250-R253 PolarHBondContact O-N 3.31Å
251H49.3Very low63.3Low137 Ų13777.1 Ų77.163%0.63438%0.378SS*.Hα-helixtrans-61.8-43.3-177.4-177.183.7000111.9Q247 A248 R253Q247-H251 WeakPolarHBondContact O-CA 3.33Å; Q247-H251 WeakPolarHBondContact O-CB 3.34Å; Q247-H251 PolarHBondContact O-N 2.92Å; A248-H251 PolarHBondContact O-N 3.38Å; H251-R253 PolarHBondContact O-N 3.19Å
252Y55.3Low66Low165 Ų16574.2 Ų74.265%0.64736%0.356SS*.THydrogen-bonded Turntrans-76.75.1174.8-66.9-65000113.3A248 I250 I254A248-Y252 HydrophobicContact CB-CD2 4.05Å; A248-Y252 HydrophobicContact CB-CE2 4.06Å; A248-Y252 WeakPolarHBondContact O-CB 3.49Å; A248-Y252 WeakPolarHBondContact O-CD2 3.38Å; A248-Y252 PolarHBondContact O-N 2.93Å; I250-Y252 PolarHBondContact O-N 3.25Å; Y252-I254 PolarHBondContact O-N 3.5Å
253R57.5Low68.7Low226 Ų22672 Ų7285%0.85334%0.34SS*.THydrogen-bonded Turntrans52.924-178.3-62.6-177.2173.9-172.8-1.6114.1I250 H251 L255I250-R253 WeakPolarHBondContact O-CA 3.29Å; I250-R253 PolarHBondContact O-N 3.31Å; H251-R253 PolarHBondContact O-N 3.19Å; R253-L255 VanDerWaalsContact C-N 3.32Å
254I61.3Low70.9Confident74 Ų7463.1 Ų63.138%0.37930%0.299SS..SBendtrans-67.7-41.8178.3-60.6176000108.9C249 Y252 F287C249-I254 PolarHBondContact O-N 3.29Å; Y252-I254 PolarHBondContact O-N 3.5Å; I254-F287 HydrophobicContact CG2-CD1 3.89Å; I254-F287 HydrophobicContact CG2-CE1 3.26Å; I254-F287 HydrophobicContact CG2-CE2 4.46Å; I254-F287 HydrophobicContact CG2-CZ 3.59Å
255L69.1Low72.9Confident3 Ų366 Ų662%0.01631%0.31CS..SBendtrans-123.9123.7172.9-63176.3000109.3F178 F222 C249 R253 Y283 F287F178-L255 HydrophobicContact CZ-CD1 4.45Å; F222-L255 HydrophobicContact CD2-CB 4.22Å; F222-L255 HydrophobicContact CE2-CB 4.15Å; F222-L255 HydrophobicContact CE2-CD1 3.94Å; C249-L255 PolarHBondContact O-N 3.27Å; R253-L255 VanDerWaalsContact C-N 3.32Å; L255-Y283 HydrophobicContact CD2-CE2 4.48Å; L255-F287 HydrophobicContact CD2-CD2 3.68Å; L255-F287 HydrophobicContact CD2-CE2 4.03Å; L255-F287 HydrophobicContact CD2-CG 4.16Å
256R73.2Confident74.7Confident137 Ų13765 Ų6552%0.51731%0.306SS..  trans-71.9138.6175.8-177.2178.3172.8-141.4-9.5110.1L258 E262R256-L258 PolarHBondContact O-N 3.22Å; R256-E262 IonicContact CZ-OE1 3.85Å; R256-E262 IonicContact CZ-OE2 3.37Å; R256-E262 IonicContact NH1-OE1 3.69Å; R256-E262 PolarHBondContact NH1-OE1 3.17Å; R256-E262 IonicContact NH1-OE2 2.87Å; R256-E262 IonicContact NH2-OE1 3.11Å; R256-E262 PolarHBondContact NH2-OE1 3.37Å; R256-E262 VanDerWaalsContact NH2-OE1 3.11Å; R256-E262 IonicContact NH2-OE2 3.92Å
257L79.3Confident76.7Confident42 Ų4264 Ų6422%0.2230%0.302CS..  trans-69.4115.3164.9-17470.1000108.5F222 D224 L228F222-L257 HydrophobicContact CB-CD1 3.77Å; F222-L257 WeakPolarHBondContact O-CA 3.38Å; D224-L257 HydrophobicContact CB-CD1 4.47Å; D224-L257 HydrophobicContact CB-CD2 4.18Å; D224-L257 HydrophobicContact CB-CG 4.27Å; L228-L257 HydrophobicContact CD1-CD1 4.26Å
258L85.2Confident78.8Confident9 Ų960.8 Ų60.85%0.04729%0.287CS..BIsolated β-bridgetrans-84.5150-179.9-62.7177.1000111.1C221 F222 T223 D224 R256 T263 I280 P281C221-L258 HydrophobicContact CB-CD1 4.49Å; F222-L258 PolarHBondContact O-N 3.1Å; T223-L258 WeakPolarHBondContact CA-O 3.34Å; D224-L258 PolarHBondContact N-O 3.32Å; R256-L258 PolarHBondContact O-N 3.22Å; L258-T263 WeakPolarHBondContact CB-OG1 3.42Å; L258-I280 HydrophobicContact CD1-CB 4.41Å; L258-I280 HydrophobicContact CD1-CG2 3.52Å; L258-I280 WeakPolarHBondContact CD1-O 3.36Å; L258-P281 HydrophobicContact CD2-CG 4.47Å
259T91Very high80.7Confident65 Ų6561.7 Ų61.740%0.39929%0.287SS..  trans-72158165.273.40000110.5E261 E262 T263T259-E261 PolarHBondContact O-N 3.01Å; T259-E262 PolarHBondContact N-OE2 2.94Å; T259-E262 PolarHBondContact O-N 2.85Å; T259-E262 WeakPolarHBondContact OG1-CB 3.23Å; T259-E262 WeakPolarHBondContact OG1-CG 3.39Å; T259-E262 PolarHBondContact OG1-N 3.38Å; T259-T263 PolarHBondContact O-N 2.98Å; T259-T263 VanDerWaalsContact O-N 3.09Å; T259-T263 PolarHBondContact O-OG1 3.42Å
260V92.5Very high82.6Confident34 Ų3460.5 Ų60.521%0.20628%0.279CS..Hα-helixtrans-57.3-40.7172.5-175.80000110.6G46 E50 T223 D224 T225 T263 A264G46-V260 VanDerWaalsContact C-CG1 3.49Å; G46-V260 WeakPolarHBondContact O-CG1 3.32Å; E50-V260 HydrophobicContact CB-CG1 3.68Å; E50-V260 HydrophobicContact CG-CG1 4.16Å; T223-V260 HydrophobicContact CG2-CG2 4.22Å; D224-V260 WeakPolarHBondContact O-CG2 3.49Å; T225-V260 HydrophobicContact CG2-CG2 3.84Å; V260-T263 PolarHBondContact O-N 3.16Å; V260-A264 VanDerWaalsContact O-CB 3.27Å; V260-A264 WeakPolarHBondContact O-CB 3.27Å; V260-A264 PolarHBondContact O-N 3.22Å
261E94.3Very high84.5Confident119 Ų11958.7 Ų58.756%0.55627%0.269SS*.Hα-helixtrans-62.9-48.2179.2-170.1-175.9178.900112.5K54 T259 T263 A264 Q265K54-E261 WeakPolarHBondContact CE-O 3.13Å; K54-E261 IonicContact NZ-OE1 2.81Å; T259-E261 PolarHBondContact O-N 3.01Å; E261-T263 VanDerWaalsContact C-N 3.27Å; E261-T263 PolarHBondContact O-N 3.34Å; E261-A264 PolarHBondContact O-N 3.44Å; E261-Q265 WeakPolarHBondContact O-CB 3.48Å; E261-Q265 PolarHBondContact O-N 3.35Å
262E93.6Very high86.8Confident68 Ų6853 Ų5332%0.31824%0.244SC..Hα-helixtrans-58.4-42.6176.5-76.5173.5145.900110.4R256 T259 G266R256-E262 IonicContact CZ-OE1 3.85Å; R256-E262 IonicContact CZ-OE2 3.37Å; R256-E262 IonicContact NH1-OE1 3.69Å; R256-E262 PolarHBondContact NH1-OE1 3.17Å; R256-E262 IonicContact NH1-OE2 2.87Å; R256-E262 IonicContact NH2-OE1 3.11Å; R256-E262 PolarHBondContact NH2-OE1 3.37Å; R256-E262 VanDerWaalsContact NH2-OE1 3.11Å; R256-E262 IonicContact NH2-OE2 3.92Å; T259-E262 PolarHBondContact N-OE2 2.94Å; T259-E262 PolarHBondContact O-N 2.85Å; T259-E262 WeakPolarHBondContact OG1-CB 3.23Å; T259-E262 WeakPolarHBondContact OG1-CG 3.39Å; T259-E262 PolarHBondContact OG1-N 3.38Å; E262-G266 PolarHBondContact O-N 3Å; E262-G266 VanDerWaalsContact O-N 3.12Å
263T95Very high88.7Confident0 Ų050 Ų500%023%0.232CC..Hα-helixtrans-68.6-47.1-180-54.60000111.8I47 P220 T223 L258 T259 V260 E261 Q265 G266 V267 I280I47-T263 HydrophobicContact CD1-CG2 3.66Å; I47-T263 HydrophobicContact CG1-CG2 3.95Å; I47-T263 HydrophobicContact CG2-CG2 4.41Å; P220-T263 HydrophobicContact CB-CG2 3.79Å; P220-T263 HydrophobicContact CG-CG2 3.95Å; T223-T263 HydrophobicContact CG2-CG2 4.28Å; T223-T263 WeakPolarHBondContact CG2-OG1 3.49Å; T223-T263 WeakPolarHBondContact OG1-CG2 3.31Å; T223-T263 PolarHBondContact OG1-OG1 2.95Å; L258-T263 WeakPolarHBondContact CB-OG1 3.42Å; T259-T263 PolarHBondContact O-N 2.98Å; T259-T263 VanDerWaalsContact O-N 3.09Å; T259-T263 PolarHBondContact O-OG1 3.42Å; V260-T263 PolarHBondContact O-N 3.16Å; E261-T263 VanDerWaalsContact C-N 3.27Å; E261-T263 PolarHBondContact O-N 3.34Å; T263-Q265 VanDerWaalsContact C-N 3.31Å; T263-Q265 PolarHBondContact O-N 3.34Å; T263-G266 PolarHBondContact O-N 3.28Å; T263-V267 WeakPolarHBondContact O-CG2 3.27Å; T263-V267 PolarHBondContact O-N 2.88Å; T263-I280 HydrophobicContact CG2-CD1 4.36Å; T263-I280 HydrophobicContact CG2-CG2 4.35Å; T263-I280 WeakPolarHBondContact O-CD1 3.44Å
264A97.4Very high90.5Very high0 Ų043 Ų430%021%0.209CC..Hα-helixtrans-64.1-36.7178.800000112.1E50 V51 K54 V260 E261 V267 V268E50-A264 HydrophobicContact CB-CB 3.65Å; E50-A264 HydrophobicContact CG-CB 3.29Å; V51-A264 HydrophobicContact CG2-CB 3.71Å; K54-A264 HydrophobicContact CD-CB 3.97Å; V260-A264 VanDerWaalsContact O-CB 3.27Å; V260-A264 WeakPolarHBondContact O-CB 3.27Å; V260-A264 PolarHBondContact O-N 3.22Å; E261-A264 PolarHBondContact O-N 3.44Å; A264-V267 WeakPolarHBondContact O-CB 3.3Å; A264-V267 PolarHBondContact O-N 3.28Å; A264-V268 WeakPolarHBondContact O-CG2 3.38Å; A264-V268 PolarHBondContact O-N 3.05Å
265Q96.8Very high92.1Very high76 Ų7644 Ų4436%0.35521%0.21SC..Hα-helixtrans-61.7-45.3173.2-171.160.450.200111.1K54 E261 T263 V267 V268 D269K54-Q265 HydrophobicContact CD-CB 4.4Å; E261-Q265 WeakPolarHBondContact O-CB 3.48Å; E261-Q265 PolarHBondContact O-N 3.35Å; T263-Q265 VanDerWaalsContact C-N 3.31Å; T263-Q265 PolarHBondContact O-N 3.34Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 PolarHBondContact O-N 3.49Å; Q265-V268 PolarHBondContact O-N 2.87Å; Q265-D269 PolarHBondContact NE2-OD1 2.85Å; Q265-D269 VanDerWaalsContact O-CG 3.25Å; Q265-D269 PolarHBondContact O-N 3.11Å
266G96.2Very high93.3Very high20 Ų2046 Ų4621%0.20623%0.225CC..Hα-helixtrans-61.2-35.3175.600000113.4E262 T263 A270 I280E262-G266 PolarHBondContact O-N 3Å; E262-G266 VanDerWaalsContact O-N 3.12Å; T263-G266 PolarHBondContact O-N 3.28Å; G266-A270 VanDerWaalsContact O-CB 3.31Å; G266-A270 WeakPolarHBondContact O-CB 3.25Å; G266-A270 PolarHBondContact O-N 3.27Å; G266-I280 VanDerWaalsContact C-CD1 3.46Å
267V97.8Very high94.3Very high0 Ų042.4 Ų42.40%021%0.213CC..Hα-helixtrans-65.1-49.7172.81740000110.4I47 V51 I171 V218 T263 A264 Q265 D269 A270 V271 I280I47-V267 HydrophobicContact CG2-CG2 4.22Å; V51-V267 HydrophobicContact CG1-CG1 4.15Å; V51-V267 HydrophobicContact CG2-CB 3.81Å; V51-V267 HydrophobicContact CG2-CG1 3.76Å; V51-V267 HydrophobicContact CG2-CG2 4.23Å; I171-V267 HydrophobicContact CD1-CG1 3.86Å; I171-V267 HydrophobicContact CD1-CG2 3.87Å; V218-V267 HydrophobicContact CG1-CG2 4Å; V218-V267 HydrophobicContact CG2-CG2 4.47Å; T263-V267 WeakPolarHBondContact O-CG2 3.27Å; T263-V267 PolarHBondContact O-N 2.88Å; A264-V267 WeakPolarHBondContact O-CB 3.3Å; A264-V267 PolarHBondContact O-N 3.28Å; Q265-V267 VanDerWaalsContact C-N 3.28Å; Q265-V267 PolarHBondContact O-N 3.49Å; V267-D269 VanDerWaalsContact C-N 3.34Å; V267-D269 PolarHBondContact O-N 3.05Å; V267-A270 WeakPolarHBondContact O-CB 3.19Å; V267-A270 PolarHBondContact O-N 3.4Å; V267-V271 WeakPolarHBondContact O-CG2 3.37Å; V267-V271 PolarHBondContact O-N 2.99Å; V267-I280 HydrophobicContact CG2-CD1 3.84Å
268V98.2Very high95.1Very high1 Ų140.7 Ų40.71%0.00621%0.205CC..Hα-helixtrans-58.3-47.9179.2169.90000110.3K54 F55 L58 A264 Q265 A270 V271 L272K54-V268 HydrophobicContact CB-CG2 3.75Å; K54-V268 HydrophobicContact CD-CG2 4.22Å; F55-V268 HydrophobicContact CD2-CG2 4.21Å; F55-V268 HydrophobicContact CE1-CG1 4.1Å; F55-V268 HydrophobicContact CE1-CG2 4.38Å; F55-V268 HydrophobicContact CE2-CG2 3.93Å; F55-V268 HydrophobicContact CZ-CB 4.34Å; F55-V268 HydrophobicContact CZ-CG1 4.32Å; F55-V268 HydrophobicContact CZ-CG2 4.01Å; L58-V268 HydrophobicContact CD1-CG1 3.91Å; A264-V268 WeakPolarHBondContact O-CG2 3.38Å; A264-V268 PolarHBondContact O-N 3.05Å; Q265-V268 PolarHBondContact O-N 2.87Å; V268-A270 PolarHBondContact O-N 2.99Å; V268-V271 PolarHBondContact O-N 2.8Å; V268-L272 HydrophobicContact CG1-CD1 3.7Å; V268-L272 HydrophobicContact CG1-CG 4.09Å; V268-L272 WeakPolarHBondContact O-CB 3.33Å; V268-L272 VanDerWaalsContact O-CG 3.26Å; V268-L272 WeakPolarHBondContact O-CG 3.04Å; V268-L272 PolarHBondContact O-N 3.36Å
269D96.8Very high95.5Very high56 Ų5641.1 Ų41.130%0.29921%0.206SC..Hα-helixtrans-60.5-44.7177.2-65.7-13.7000111.2Q265 V267 V271 L272 Y273Q265-D269 PolarHBondContact NE2-OD1 2.85Å; Q265-D269 VanDerWaalsContact O-CG 3.25Å; Q265-D269 PolarHBondContact O-N 3.11Å; V267-D269 VanDerWaalsContact C-N 3.34Å; V267-D269 PolarHBondContact O-N 3.05Å; D269-V271 VanDerWaalsContact C-N 3.25Å; D269-V271 PolarHBondContact O-N 3.01Å; D269-L272 PolarHBondContact O-N 3.2Å; D269-Y273 HydrophobicContact CB-CD2 4.34Å; D269-Y273 WeakPolarHBondContact O-CB 3.48Å; D269-Y273 WeakPolarHBondContact O-CD2 3.07Å; D269-Y273 PolarHBondContact O-N 2.93Å
270A96.9Very high95.5Very high0 Ų038.6 Ų38.60%019%0.19CC..Hα-helixtrans-56.5-42176.900000112.3T216 G266 V267 V268 E274 K275 A278T216-A270 HydrophobicContact CG2-CB 4.08Å; G266-A270 VanDerWaalsContact O-CB 3.31Å; G266-A270 WeakPolarHBondContact O-CB 3.25Å; G266-A270 PolarHBondContact O-N 3.27Å; V267-A270 WeakPolarHBondContact O-CB 3.19Å; V267-A270 PolarHBondContact O-N 3.4Å; V268-A270 PolarHBondContact O-N 2.99Å; A270-E274 PolarHBondContact O-N 2.97Å; A270-E274 VanDerWaalsContact O-N 3.11Å; A270-K275 HydrophobicContact CB-CB 4.42Å; A270-K275 HydrophobicContact CB-CD 4.41Å; A270-K275 PolarHBondContact O-N 2.9Å; A270-A278 HydrophobicContact CB-CB 3.33Å
271V98.1Very high95.3Very high0 Ų037.9 Ų37.90%019%0.187CC..Hα-helixtrans-71.2-44.3178.8173.70000111.8K31 F55 I117 V169 V267 V268 D269 Y273 E274K31-V271 WeakPolarHBondContact CE-O 3.39Å; F55-V271 HydrophobicContact CE1-CG1 4.27Å; F55-V271 HydrophobicContact CZ-CB 3.85Å; F55-V271 HydrophobicContact CZ-CG1 3.72Å; F55-V271 HydrophobicContact CZ-CG2 4.28Å; I117-V271 HydrophobicContact CD1-CG1 3.65Å; I117-V271 HydrophobicContact CG2-CG1 4.2Å; V169-V271 HydrophobicContact CB-CG2 4.46Å; V169-V271 HydrophobicContact CG1-CG2 4.04Å; V169-V271 HydrophobicContact CG2-CG2 3.65Å; V267-V271 WeakPolarHBondContact O-CG2 3.37Å; V267-V271 PolarHBondContact O-N 2.99Å; V268-V271 PolarHBondContact O-N 2.8Å; D269-V271 VanDerWaalsContact C-N 3.25Å; D269-V271 PolarHBondContact O-N 3.01Å; V271-Y273 VanDerWaalsContact C-N 3.33Å; V271-Y273 PolarHBondContact O-N 2.74Å; V271-E274 PolarHBondContact O-N 3.35Å
272L97.5Very high94.9Very high17 Ų1740.3 Ų40.39%0.08920%0.195CC..Hα-helixtrans-65.8-36-178.5-69.2179.1000112.2P30 K31 V33 F55 L58 V268 D269P30-L272 WeakPolarHBondContact CA-O 3.42Å; P30-L272 HydrophobicContact CB-CB 3.85Å; P30-L272 HydrophobicContact CB-CD1 4.32Å; K31-L272 PolarHBondContact N-O 3.45Å; K31-L272 WeakPolarHBondContact O-CD2 3.36Å; V33-L272 HydrophobicContact CG1-CD2 3.69Å; V33-L272 HydrophobicContact CG2-CD2 4.16Å; F55-L272 HydrophobicContact CE1-CD2 4.32Å; L58-L272 HydrophobicContact CD1-CD1 3.9Å; L58-L272 HydrophobicContact CD1-CD2 4.42Å; V268-L272 HydrophobicContact CG1-CD1 3.7Å; V268-L272 HydrophobicContact CG1-CG 4.09Å; V268-L272 WeakPolarHBondContact O-CB 3.33Å; V268-L272 VanDerWaalsContact O-CG 3.26Å; V268-L272 WeakPolarHBondContact O-CG 3.04Å; V268-L272 PolarHBondContact O-N 3.36Å; D269-L272 PolarHBondContact O-N 3.2Å
273Y95.5Very high94.4Very high104 Ų10441.2 Ų41.241%0.40820%0.197SC..THydrogen-bonded Turntrans-93.29176.9-68.8-76.6000113.4A28 P30 D269 V271 K275A28-Y273 HydrophobicContact CB-CD1 3.97Å; A28-Y273 HydrophobicContact CB-CE1 4.33Å; P30-Y273 HydrophobicContact CB-CE1 4.38Å; P30-Y273 HydrophobicContact CB-CE2 4.48Å; D269-Y273 HydrophobicContact CB-CD2 4.34Å; D269-Y273 WeakPolarHBondContact O-CB 3.48Å; D269-Y273 WeakPolarHBondContact O-CD2 3.07Å; D269-Y273 PolarHBondContact O-N 2.93Å; V271-Y273 VanDerWaalsContact C-N 3.33Å; V271-Y273 PolarHBondContact O-N 2.74Å; Y273-K275 VanDerWaalsContact C-N 3.25Å; Y273-K275 PolarHBondContact O-N 3.11Å
274E95.5Very high94Very high78 Ų7841.3 Ų41.336%0.36420%0.197SC..THydrogen-bonded Turntrans5140.3176.1-50.8-162.613500114.2K31 K214 A270 V271 C276K31-E274 HydrophobicContact CD-CG 3.91Å; K31-E274 VanDerWaalsContact CD-OE1 3.25Å; K31-E274 WeakPolarHBondContact CD-OE1 3.49Å; K31-E274 IonicContact NZ-OE1 3.77Å; K31-E274 PolarHBondContact NZ-OE1 3.01Å; K214-E274 VanDerWaalsContact CE-OE2 3.25Å; K214-E274 WeakPolarHBondContact CE-OE2 3.09Å; A270-E274 PolarHBondContact O-N 2.97Å; A270-E274 VanDerWaalsContact O-N 3.11Å; V271-E274 PolarHBondContact O-N 3.35Å; E274-C276 PolarHBondContact O-N 3.02Å
275K94Very high93.5Very high95 Ų9547.7 Ų47.741%0.41322%0.221SC..  trans-68.2125.7179.1-63.1-173.7-177.2173.40109.8T216 A270 Y273 E277 A278T216-K275 WeakPolarHBondContact CA-O 3.28Å; T216-K275 VanDerWaalsContact CB-O 3.23Å; T216-K275 WeakPolarHBondContact CB-O 3.38Å; T216-K275 VanDerWaalsContact CG2-O 3.24Å; T216-K275 WeakPolarHBondContact CG2-O 3.49Å; T216-K275 PolarHBondContact OG1-O 2.87Å; A270-K275 HydrophobicContact CB-CB 4.42Å; A270-K275 HydrophobicContact CB-CD 4.41Å; A270-K275 PolarHBondContact O-N 2.9Å; Y273-K275 VanDerWaalsContact C-N 3.25Å; Y273-K275 PolarHBondContact O-N 3.11Å; K275-E277 VanDerWaalsContact C-N 3.34Å; K275-E277 PolarHBondContact O-N 3.3Å; K275-A278 HydrophobicContact CB-CB 4.44Å; K275-A278 HydrophobicContact CD-CB 4.35Å
276C93.8Very high92.8Very high46 Ų4651.7 Ų51.731%0.31123%0.233SC..SBendtrans-61.5-44.3172.2175.30000111.4E201 T215 T216 T217 E274E201-C276 PolarHBondContact OE1-SG 3.49Å; E201-C276 PolarHBondContact OE2-SG 2.87Å; T215-C276 WeakPolarHBondContact O-CA 3.2Å; T216-C276 CarbonylContact C-O 3.38Å; T216-C276 WeakPolarHBondContact CA-O 3.37Å; T217-C276 PolarHBondContact N-O 3.37Å; E274-C276 PolarHBondContact O-N 3.02Å
277E95.1Very high92Very high60 Ų6052.7 Ų52.728%0.2823%0.232SC..EExtended strand (participates in β ladder)trans-126.5134.7174.6-66.5-165.8111.200111.1T217 Y219 K275 Y279T217-E277 WeakPolarHBondContact O-CA 3.39Å; Y219-E277 HydrophobicContact CE2-CB 4.01Å; Y219-E277 HydrophobicContact CE2-CG 4.02Å; Y219-E277 VanDerWaalsContact CE2-OE1 3.28Å; Y219-E277 WeakPolarHBondContact CE2-OE1 3.29Å; Y219-E277 PolarHBondContact OH-OE1 2.62Å; K275-E277 VanDerWaalsContact C-N 3.34Å; K275-E277 PolarHBondContact O-N 3.3Å; E277-Y279 HydrophobicContact CB-CE2 4.21Å
278A95.1Very high91.3Very high6 Ų652.8 Ų52.85%0.0523%0.232CC..EExtended strand (participates in β ladder)trans-132.6118.417900000111.7T217 V218 Y219 A270 K275T217-A278 PolarHBondContact O-N 2.82Å; V218-A278 CarbonylContact C-O 3.56Å; V218-A278 WeakPolarHBondContact CA-O 3.17Å; V218-A278 HydrophobicContact CG1-CB 4.4Å; V218-A278 HydrophobicContact CG2-CB 4.44Å; Y219-A278 PolarHBondContact N-O 3.41Å; A270-A278 HydrophobicContact CB-CB 3.33Å; K275-A278 HydrophobicContact CB-CB 4.44Å; K275-A278 HydrophobicContact CD-CB 4.35Å
279Y93.8Very high90.5Very high19 Ų1957.1 Ų57.18%0.07526%0.255CS..EExtended strand (participates in β ladder)trans-96.8134.8175.1-61.5-93.4000109.1H177 Y219 E277 P281 F282 R285 C288H177-Y279 AromaticContact CE1-CE1 3.99Å; H177-Y279 AromaticContact CE1-CZ 3.98Å; H177-Y279 PolarHBondContact CE1-OH 2.89Å; H177-Y279 AromaticContact NE2-CE1 3.51Å; H177-Y279 AromaticContact NE2-CZ 3.71Å; H177-Y279 PolarHBondContact NE2-OH 3.11Å; H177-Y279 VanDerWaalsContact NE2-OH 3.08Å; Y219-Y279 AromaticContact CD2-CD1 3.9Å; Y219-Y279 HydrophobicContact CD2-CD1 3.9Å; Y219-Y279 HydrophobicContact CD2-CD2 4.42Å; Y219-Y279 AromaticContact CD2-CE1 3.56Å; Y219-Y279 HydrophobicContact CD2-CE1 3.56Å; Y219-Y279 HydrophobicContact CD2-CE2 4.14Å; Y219-Y279 HydrophobicContact CD2-CG 4.31Å; Y219-Y279 AromaticContact CD2-CZ 3.69Å; Y219-Y279 HydrophobicContact CE2-CE1 4.17Å; Y219-Y279 HydrophobicContact CE2-CE2 4.39Å; Y219-Y279 AromaticContact CE2-CZ 3.91Å; Y219-Y279 HydrophobicContact CG-CD1 4.17Å; Y219-Y279 AromaticContact CG-CE1 3.95Å; Y219-Y279 HydrophobicContact CG-CE1 3.95Å; E277-Y279 HydrophobicContact CB-CE2 4.21Å; Y279-P281 CarbonylContact C-O 3.51Å; Y279-P281 CarbonylContact O-C 3.39Å; Y279-F282 VanDerWaalsContact O-CA 3.23Å; Y279-F282 WeakPolarHBondContact O-CA 3.37Å; Y279-F282 PolarHBondContact O-N 2.85Å; Y279-R285 HydrophobicContact CD1-CB 4.05Å; Y279-R285 HydrophobicContact CD2-CB 3.47Å; Y279-R285 VanDerWaalsContact CD2-CB 3.47Å; Y279-R285 HydrophobicContact CD2-CG 3.65Å; Y279-R285 HydrophobicContact CE1-CB 4.39Å; Y279-R285 HydrophobicContact CE1-CG 4.43Å; Y279-R285 HydrophobicContact CE2-CB 3.86Å; Y279-R285 HydrophobicContact CE2-CG 3.49Å; Y279-R285 VanDerWaalsContact CE2-CG 3.49Å; Y279-R285 HydrophobicContact CG-CB 3.57Å; Y279-R285 HydrophobicContact CG-CG 4.18Å; Y279-C288 HydrophobicContact CD1-CB 4.39Å; Y279-C288 HydrophobicContact CE1-CB 3.85Å
280I91.9Very high89.4Confident11 Ų1157.9 Ų57.96%0.05626%0.257CS..EExtended strand (participates in β ladder)trans-127.1110.6-178.3-53.4175.3000108.5V218 Y219 C221 L258 T263 G266 V267V218-I280 HydrophobicContact CG1-CD1 3.33Å; V218-I280 HydrophobicContact CG1-CG1 3.93Å; Y219-I280 PolarHBondContact O-N 3.09Å; Y219-I280 VanDerWaalsContact O-N 3.1Å; C221-I280 WeakPolarHBondContact CB-O 3.34Å; C221-I280 PolarHBondContact N-O 3.23Å; L258-I280 HydrophobicContact CD1-CB 4.41Å; L258-I280 HydrophobicContact CD1-CG2 3.52Å; L258-I280 WeakPolarHBondContact CD1-O 3.36Å; T263-I280 HydrophobicContact CG2-CD1 4.36Å; T263-I280 HydrophobicContact CG2-CG2 4.35Å; T263-I280 WeakPolarHBondContact O-CD1 3.44Å; G266-I280 VanDerWaalsContact C-CD1 3.46Å; V267-I280 HydrophobicContact CG2-CD1 3.84Å
281P88Confident87.9Confident20 Ų2062.8 Ų62.813%0.1328%0.282CS..SBendcis-71.5162.3-3.732.7-32.4000111.4L258 Y279 Y283 A284L258-P281 HydrophobicContact CD2-CG 4.47Å; Y279-P281 CarbonylContact C-O 3.51Å; Y279-P281 CarbonylContact O-C 3.39Å; P281-Y283 HydrophobicContact CB-CD1 3.84Å; P281-Y283 HydrophobicContact CB-CE1 3.5Å; P281-Y283 VanDerWaalsContact CB-CE1 3.5Å; P281-Y283 HydrophobicContact CG-CD1 3.8Å; P281-Y283 HydrophobicContact CG-CD2 4.15Å; P281-Y283 HydrophobicContact CG-CE1 3.23Å; P281-Y283 HydrophobicContact CG-CE2 3.62Å; P281-Y283 HydrophobicContact CG-CG 4.23Å; P281-Y283 WeakPolarHBondContact CG-OH 3.25Å; P281-Y283 PolarHBondContact O-N 3.43Å; P281-A284 WeakPolarHBondContact O-CB 3.44Å; P281-A284 PolarHBondContact O-N 3.34Å
282F85.8Confident85.9Confident169 Ų16968.6 Ų68.674%0.74131%0.308SS*.THydrogen-bonded Turntrans-55.8-33.4-17274.1-88.6000114.2Y279 A284 R285Y279-F282 VanDerWaalsContact O-CA 3.23Å; Y279-F282 WeakPolarHBondContact O-CA 3.37Å; Y279-F282 PolarHBondContact O-N 2.85Å; F282-A284 PolarHBondContact O-N 2.94Å; F282-R285 WeakPolarHBondContact O-CB 3.41Å; F282-R285 PolarHBondContact O-N 3.01Å
283Y83.8Confident83.5Confident88 Ų8879.9 Ų79.935%0.34535%0.349SS..THydrogen-bonded Turntrans-68.1-15.9179.463.8-105.5000113.2L255 P281 R285 W286 F287L255-Y283 HydrophobicContact CD2-CE2 4.48Å; P281-Y283 HydrophobicContact CB-CD1 3.84Å; P281-Y283 HydrophobicContact CB-CE1 3.5Å; P281-Y283 VanDerWaalsContact CB-CE1 3.5Å; P281-Y283 HydrophobicContact CG-CD1 3.8Å; P281-Y283 HydrophobicContact CG-CD2 4.15Å; P281-Y283 HydrophobicContact CG-CE1 3.23Å; P281-Y283 HydrophobicContact CG-CE2 3.62Å; P281-Y283 HydrophobicContact CG-CG 4.23Å; P281-Y283 WeakPolarHBondContact CG-OH 3.25Å; P281-Y283 PolarHBondContact O-N 3.43Å; Y283-R285 PolarHBondContact O-N 2.83Å; Y283-R285 VanDerWaalsContact O-N 3.15Å; Y283-W286 WeakPolarHBondContact O-CB 3.31Å; Y283-W286 PolarHBondContact O-N 3.13Å; Y283-W286 VanDerWaalsContact O-N 3.07Å; Y283-F287 HydrophobicContact CD2-CD2 4.25Å; Y283-F287 AromaticContact CD2-CE2 3.91Å; Y283-F287 HydrophobicContact CD2-CE2 3.91Å; Y283-F287 HydrophobicContact CE2-CE2 4.24Å
284A85.9Confident82.9Confident1 Ų178.7 Ų78.71%0.00835%0.346CS..Hα-helixtrans-60.3-22.6173.500000112.5V174 C221 P281 F282 W286 F287 C288V174-A284 HydrophobicContact CG1-CB 4.31Å; C221-A284 WeakPolarHBondContact SG-CB 3.19Å; P281-A284 WeakPolarHBondContact O-CB 3.44Å; P281-A284 PolarHBondContact O-N 3.34Å; F282-A284 PolarHBondContact O-N 2.94Å; A284-W286 VanDerWaalsContact C-N 3.27Å; A284-W286 PolarHBondContact O-N 2.98Å; A284-F287 PolarHBondContact O-N 3.22Å; A284-C288 WeakPolarHBondContact O-CB 3.48Å; A284-C288 PolarHBondContact O-N 2.99Å; A284-C288 PolarHBondContact O-SG 3.45Å
285R87.7Confident82.2Confident135 Ų13578.7 Ų78.751%0.50935%0.345SS..Hα-helixtrans-54.1-45.1171.8-173.3172.1-172.7-166.13.1111.9Y279 F282 Y283 F287 C288 L289Y279-R285 HydrophobicContact CD1-CB 4.05Å; Y279-R285 HydrophobicContact CD2-CB 3.47Å; Y279-R285 VanDerWaalsContact CD2-CB 3.47Å; Y279-R285 HydrophobicContact CD2-CG 3.65Å; Y279-R285 HydrophobicContact CE1-CB 4.39Å; Y279-R285 HydrophobicContact CE1-CG 4.43Å; Y279-R285 HydrophobicContact CE2-CB 3.86Å; Y279-R285 HydrophobicContact CE2-CG 3.49Å; Y279-R285 VanDerWaalsContact CE2-CG 3.49Å; Y279-R285 HydrophobicContact CG-CB 3.57Å; Y279-R285 HydrophobicContact CG-CG 4.18Å; F282-R285 WeakPolarHBondContact O-CB 3.41Å; F282-R285 PolarHBondContact O-N 3.01Å; Y283-R285 PolarHBondContact O-N 2.83Å; Y283-R285 VanDerWaalsContact O-N 3.15Å; R285-F287 PolarHBondContact O-N 2.86Å; R285-C288 PolarHBondContact O-N 3.15Å; R285-L289 HydrophobicContact CG-CD1 3.92Å; R285-L289 HydrophobicContact CG-CG 4.42Å; R285-L289 WeakPolarHBondContact O-CG 3.39Å; R285-L289 PolarHBondContact O-N 2.94Å
286W82.2Confident81.6Confident159 Ų15977.8 Ų77.860%0.60234%0.342SS*.Hα-helixtrans-62.3-45.8-178.4-175.877.6000111Y283 A284 C288 L289 E290Y283-W286 WeakPolarHBondContact O-CB 3.31Å; Y283-W286 PolarHBondContact O-N 3.13Å; Y283-W286 VanDerWaalsContact O-N 3.07Å; A284-W286 VanDerWaalsContact C-N 3.27Å; A284-W286 PolarHBondContact O-N 2.98Å; W286-C288 PolarHBondContact O-N 2.76Å; W286-L289 PolarHBondContact O-N 3.18Å; W286-E290 HydrophobicContact CD2-CG 4.28Å; W286-E290 HydrophobicContact CZ2-CG 4.13Å; W286-E290 PolarHBondContact O-N 3.31Å
287F78.8Confident80.8Confident41 Ų4179.7 Ų79.718%0.1834%0.344CS..Hα-helixtrans-60.4-43.4174-69.3-72.6000112.8I254 L255 Y283 A284 R285 L289 L291I254-F287 HydrophobicContact CG2-CD1 3.89Å; I254-F287 HydrophobicContact CG2-CE1 3.26Å; I254-F287 HydrophobicContact CG2-CE2 4.46Å; I254-F287 HydrophobicContact CG2-CZ 3.59Å; L255-F287 HydrophobicContact CD2-CD2 3.68Å; L255-F287 HydrophobicContact CD2-CE2 4.03Å; L255-F287 HydrophobicContact CD2-CG 4.16Å; Y283-F287 HydrophobicContact CD2-CD2 4.25Å; Y283-F287 AromaticContact CD2-CE2 3.91Å; Y283-F287 HydrophobicContact CD2-CE2 3.91Å; Y283-F287 HydrophobicContact CE2-CE2 4.24Å; A284-F287 PolarHBondContact O-N 3.22Å; R285-F287 PolarHBondContact O-N 2.86Å; F287-L289 PolarHBondContact O-N 3.12Å; F287-L291 HydrophobicContact CB-CD1 4.18Å; F287-L291 VanDerWaalsContact O-CB 3.24Å; F287-L291 WeakPolarHBondContact O-CB 2.95Å; F287-L291 WeakPolarHBondContact O-CD1 3.4Å; F287-L291 VanDerWaalsContact O-CG 3.25Å; F287-L291 WeakPolarHBondContact O-CG 3.44Å; F287-L291 PolarHBondContact O-N 3.27Å
288C83.3Confident80Confident2 Ų280.9 Ų80.91%0.01435%0.348CS..Hα-helixtrans-65.2-26.6179.9-69.20000113.6H177 Y279 A284 R285 W286H177-C288 HydrophobicContact CB-CB 3.82Å; Y279-C288 HydrophobicContact CD1-CB 4.39Å; Y279-C288 HydrophobicContact CE1-CB 3.85Å; A284-C288 WeakPolarHBondContact O-CB 3.48Å; A284-C288 PolarHBondContact O-N 2.99Å; A284-C288 PolarHBondContact O-SG 3.45Å; R285-C288 PolarHBondContact O-N 3.15Å; W286-C288 PolarHBondContact O-N 2.76Å
289L80.1Confident78.9Confident92 Ų9285.9 Ų85.948%0.48237%0.367SS..Hα-helixtrans-90.4-37.3179.5-67176.5000112.5R285 W286 F287R285-L289 HydrophobicContact CG-CD1 3.92Å; R285-L289 HydrophobicContact CG-CG 4.42Å; R285-L289 WeakPolarHBondContact O-CG 3.39Å; R285-L289 PolarHBondContact O-N 2.94Å; W286-L289 PolarHBondContact O-N 3.18Å; F287-L289 PolarHBondContact O-N 3.12Å
290E75Confident77.9Confident73 Ų7390.7 Ų90.734%0.34139%0.388SS..Hα-helixtrans-86.6-32.1-176.5-64.8-60.4160.800113.7W286 K292 R293W286-E290 HydrophobicContact CD2-CG 4.28Å; W286-E290 HydrophobicContact CZ2-CG 4.13Å; W286-E290 PolarHBondContact O-N 3.31Å; E290-K292 PolarHBondContact O-N 3.38Å; E290-R293 PolarHBondContact O-N 3.42Å; E290-R293 VanDerWaalsContact O-N 3.1Å; E290-R293 IonicContact OE1-NH1 3.08Å; E290-R293 IonicContact OE2-CZ 3.64Å; E290-R293 IonicContact OE2-NH1 2.71Å; E290-R293 PolarHBondContact OE2-NH1 2.89Å; E290-R293 VanDerWaalsContact OE2-NH1 3.09Å
291L64.9Low76.8Confident102 Ų10296.8 Ų96.853%0.53441%0.414SS..THydrogen-bonded Turntrans-67.2-7.2-178.3-73.1171.2000114.6F178 F287F178-L291 HydrophobicContact CD1-CD1 4.35Å; F178-L291 HydrophobicContact CE1-CD1 4.17Å; F178-L291 HydrophobicContact CZ-CD1 4.36Å; F287-L291 HydrophobicContact CB-CD1 4.18Å; F287-L291 VanDerWaalsContact O-CB 3.24Å; F287-L291 WeakPolarHBondContact O-CB 2.95Å; F287-L291 WeakPolarHBondContact O-CD1 3.4Å; F287-L291 VanDerWaalsContact O-CG 3.25Å; F287-L291 WeakPolarHBondContact O-CG 3.44Å; F287-L291 PolarHBondContact O-N 3.27Å
292K55.9Low75.9Confident123 Ų123103.3 Ų103.354%0.53544%0.437SS..THydrogen-bonded Turntrans-88.4-4.3174.6-79.7-162.3-179-172.60114H177 E290H177-K292 WeakPolarHBondContact O-CE 3.22Å; H177-K292 PolarHBondContact O-NZ 3.07Å; E290-K292 PolarHBondContact O-N 3.38Å
293R47Very low75Confident254 Ų25497.3 Ų97.396%0.95841%0.41SS*.  trans-95.40175.6-67.2179.6171.9170-7110.5E290E290-R293 PolarHBondContact O-N 3.42Å; E290-R293 VanDerWaalsContact O-N 3.1Å; E290-R293 IonicContact OE1-NH1 3.08Å; E290-R293 IonicContact OE2-CZ 3.64Å; E290-R293 IonicContact OE2-NH1 2.71Å; E290-R293 PolarHBondContact OE2-NH1 2.89Å; E290-R293 VanDerWaalsContact OE2-NH1 3.09Å

Retrieved 293 of 293 residues in 115 ms (Link to these results)

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