A0A060XUU4_ONCMY Loading...

Rho GTPase-activating protein 10

GTPase-activating protein that catalyzes the conversion of active GTP-bound Rho GTPases to their inactive GDP-bound form, thus suppressing various Rho GTPase-mediated cellular processes. Also converts Cdc42 to an inactive GDP-bound state. Essential for PTKB2 regulation of cytoskeletal organization via Rho family GTPases. Inhibits PAK2 proteolytic fragment PAK-2p34 kinase activity and changes its localization from the nucleus to the perinuclear region. Stabilizes PAK-2p34 thereby increasing stimulation of cell death. Associates with MICAL1 on the endosomal membrane to promote Rab8-Rab10-dependent tubule extension. After dissociation with MICAL1, recruits WDR44 which connects the endoplasmic reticulum (ER) with the endosomal tubule, thereby participating in the export of a subset of neosynthesized proteins.

AlphaFold DB , UniProt , Accession A0A060XUU4, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene n/a, Length 757 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
1M53.8Low89.8Confident219 Ų21976.8 Ų76.8100%1.07943%0.427SS*.  0142.40-61.1-56.5-92.400108.4
2G81.9Confident90.3Very high66 Ų6681.4 Ų81.468%0.6843%0.434SS*.  trans-79.6-177.8167.200000111.4
3L91.1Very high90.6Very high65 Ų6585.6 Ų85.634%0.3446%0.456SS..PPolyproline II helixtrans-72.3142.7164.1-68.3168.7000109.2S24 E28 Q189L3-S24 WeakPolarHBondContact CD2-O 3.3Å; L3-E28 HydrophobicContact CD1-CB 4.01Å; L3-E28 HydrophobicContact CD1-CG 4.05Å; L3-Q189 HydrophobicContact CD1-CG 4.41Å
4H92.9Very high91Very high116 Ų11680.8 Ų80.854%0.53743%0.43SS..PPolyproline II helixtrans-75.6148172.1-71.4-85.3000110.5K21 H25H4-K21 HydrophobicContact CB-CD 4.41Å; H4-K21 HydrophobicContact CB-CG 4.32Å; H4-H25 PolarHBondContact O-NE2 3.32Å
5P92.7Very high91.4Very high76 Ų7677.7 Ų77.749%0.49442%0.417SS..PPolyproline II helixtrans-54.2152.8168.3-2535.1000112.4
6L95.6Very high91.7Very high3 Ų379.9 Ų79.92%0.01644%0.437CS..  trans-108.3102.6172.5-63.5175000108F18 K21 I22 V182 L185 Q186L6-F18 HydrophobicContact CB-CE2 4.46Å; L6-F18 HydrophobicContact CD2-CD2 4.39Å; L6-F18 HydrophobicContact CD2-CE2 4.26Å; L6-K21 HydrophobicContact CD2-CB 3.47Å; L6-K21 VanDerWaalsContact CD2-CB 3.47Å; L6-K21 HydrophobicContact CD2-CD 4.33Å; L6-I22 HydrophobicContact CD1-CG1 4.3Å; L6-I22 HydrophobicContact CD2-CG1 3.94Å; L6-V182 HydrophobicContact CB-CG1 3.53Å; L6-V182 HydrophobicContact CD1-CG1 4.24Å; L6-V182 HydrophobicContact CD1-CG2 4.41Å; L6-L185 HydrophobicContact CD1-CB 4.22Å; L6-L185 HydrophobicContact CD1-CD1 3.93Å; L6-Q186 HydrophobicContact CB-CG 4.43Å; L6-Q186 HydrophobicContact CD1-CG 4.41Å; L6-Q186 PolarHBondContact O-NE2 3.12Å; L6-Q186 VanDerWaalsContact O-NE2 3.08Å
7E95.4Very high92Very high102 Ų10280.4 Ų80.448%0.47744%0.443SS..  trans-75.6131.3-177.2-60.5-59.9151.700110.4S9 E10E7-S9 PolarHBondContact O-N 3.43Å; E7-E10 HydrophobicContact CB-CG 4.1Å; E7-E10 WeakPolarHBondContact O-CB 3.48Å; E7-E10 PolarHBondContact O-N 3.31Å
8F96.6Very high92.3Very high97 Ų9775.9 Ų75.943%0.42542%0.418SS..THydrogen-bonded Turntrans-61.6-26.7178.1-68.1-55.2000112.8E10 C11 L179 V182 C183F8-E10 VanDerWaalsContact C-N 3.3Å; F8-E10 PolarHBondContact O-N 2.93Å; F8-C11 VanDerWaalsContact O-CB 3.26Å; F8-C11 WeakPolarHBondContact O-CB 3.35Å; F8-C11 PolarHBondContact O-N 2.97Å; F8-L179 HydrophobicContact CB-CD2 3.64Å; F8-L179 HydrophobicContact CD1-CD2 3.63Å; F8-L179 HydrophobicContact CG-CD2 3.99Å; F8-V182 HydrophobicContact CD1-CG1 3.99Å; F8-V182 HydrophobicContact CE1-CB 4.47Å; F8-V182 HydrophobicContact CE1-CG1 3.91Å; F8-C183 HydrophobicContact CE1-CB 4.08Å; F8-C183 HydrophobicContact CZ-CB 4.21Å
9S95.8Very high92.5Very high75 Ų7574.5 Ų74.552%0.52441%0.406SS..THydrogen-bonded Turntrans-65.4-30.117354.40000113.2E7 C11 Y12E7-S9 PolarHBondContact O-N 3.43Å; S9-C11 PolarHBondContact O-N 3.4Å; S9-Y12 PolarHBondContact O-N 3.15Å
10E96.1Very high92.7Very high26 Ų2677.2 Ų77.212%0.12142%0.416CS..Hα-helixtrans-70.5-20.7176.5-68.7-179.6110.500112.6E7 F8 Y12 L13 D14 F18 K21E7-E10 HydrophobicContact CB-CG 4.1Å; E7-E10 WeakPolarHBondContact O-CB 3.48Å; E7-E10 PolarHBondContact O-N 3.31Å; F8-E10 VanDerWaalsContact C-N 3.3Å; F8-E10 PolarHBondContact O-N 2.93Å; E10-Y12 PolarHBondContact O-N 2.83Å; E10-L13 PolarHBondContact O-N 3.05Å; E10-D14 PolarHBondContact O-N 2.91Å; E10-F18 HydrophobicContact CB-CB 3.96Å; E10-F18 HydrophobicContact CB-CD1 4.16Å; E10-F18 HydrophobicContact CB-CD2 3.27Å; E10-F18 HydrophobicContact CB-CE1 4.44Å; E10-F18 HydrophobicContact CB-CE2 3.62Å; E10-F18 HydrophobicContact CB-CG 3.55Å; E10-F18 HydrophobicContact CB-CZ 4.17Å; E10-F18 HydrophobicContact CG-CB 4.44Å; E10-F18 HydrophobicContact CG-CD2 4.11Å; E10-F18 HydrophobicContact CG-CG 4.46Å; E10-K21 IonicContact OE1-NZ 2.68Å; E10-K21 PolarHBondContact OE1-NZ 2.87Å; E10-K21 IonicContact OE2-NZ 2.77Å; E10-K21 PolarHBondContact OE2-NZ 3.06Å
11C96.4Very high92.9Very high0 Ų075.7 Ų75.70%041%0.405CS..Hα-helixtrans-61.8-31.1174.1-60.20000112.5F8 S9 F18 S178 L179F8-C11 VanDerWaalsContact O-CB 3.26Å; F8-C11 WeakPolarHBondContact O-CB 3.35Å; F8-C11 PolarHBondContact O-N 2.97Å; S9-C11 PolarHBondContact O-N 3.4Å; C11-F18 HydrophobicContact CB-CZ 4.41Å; C11-F18 VanDerWaalsContact SG-CZ 3.59Å; C11-S178 WeakPolarHBondContact CB-OG 3.43Å; C11-L179 HydrophobicContact CB-CD2 3.89Å; C11-L179 HydrophobicContact CB-CG 4.19Å
12Y94.7Very high95Very high132 Ų13265.4 Ų65.452%0.51835%0.354SS..Hα-helixtrans-81.6-27.5177.6-64.9-88.1000112.9S9 E10 Q175 L179S9-Y12 PolarHBondContact O-N 3.15Å; E10-Y12 PolarHBondContact O-N 2.83Å; Y12-Q175 HydrophobicContact CD1-CB 4.31Å; Y12-Q175 VanDerWaalsContact CD1-CD 3.5Å; Y12-Q175 HydrophobicContact CD1-CG 4.09Å; Y12-Q175 HydrophobicContact CE1-CB 4.22Å; Y12-Q175 HydrophobicContact CE1-CG 4.49Å; Y12-L179 HydrophobicContact CE2-CD1 4.32Å; Y12-L179 HydrophobicContact CE2-CD2 4.3Å
13L94.4Very high95.7Very high136 Ų13668.7 Ų68.771%0.71235%0.35SS*.Hα-helixtrans-89.3-24.7-179.5-62175.9000113.1E10 S15E10-L13 PolarHBondContact O-N 3.05Å; L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.27Å
14D96.2Very high95.9Very high18 Ų1868.3 Ų68.310%0.09635%0.353CS..  trans41.146.9-177-160.427.1000115E10 R19 Y142 F174E10-D14 PolarHBondContact O-N 2.91Å; D14-R19 VanDerWaalsContact CG-NE 3.34Å; D14-R19 WeakPolarHBondContact OD1-CD 3.33Å; D14-R19 IonicContact OD1-CZ 3.14Å; D14-R19 IonicContact OD1-NE 3.43Å; D14-R19 PolarHBondContact OD1-NE 2.97Å; D14-R19 IonicContact OD1-NH2 3.28Å; D14-R19 PolarHBondContact OD1-NH2 2.9Å; D14-R19 IonicContact OD2-CZ 2.97Å; D14-R19 IonicContact OD2-NE 2.93Å; D14-R19 PolarHBondContact OD2-NE 3.13Å; D14-R19 VanDerWaalsContact OD2-NE 3.16Å; D14-R19 IonicContact OD2-NH2 2.7Å; D14-R19 PolarHBondContact OD2-NH2 3Å; D14-Y142 PolarHBondContact OD2-OH 3.08Å; D14-F174 HydrophobicContact CB-CE1 4.44Å; D14-F174 HydrophobicContact CB-CZ 4.3Å; D14-F174 WeakPolarHBondContact OD2-CZ 3.23Å
15S97.1Very high96.1Very high34 Ų3463.2 Ų63.224%0.23833%0.329CS..  trans-67.9152.3-172.481.30000112.7L13 V17 F18 R19L13-S15 VanDerWaalsContact C-N 3.27Å; L13-S15 PolarHBondContact O-N 3.27Å; S15-V17 PolarHBondContact O-N 3.43Å; S15-F18 WeakPolarHBondContact O-CB 3.22Å; S15-F18 PolarHBondContact O-N 3.41Å; S15-F18 WeakPolarHBondContact OG-CB 3.24Å; S15-F18 PolarHBondContact OG-N 3.22Å; S15-R19 PolarHBondContact O-N 2.83Å
16P96.9Very high96.2Very high113 Ų11360.8 Ų60.873%0.73431%0.311SS*.Hα-helixtrans-55.9-34.9174-27.435.7000113.5R19 E20P16-R19 PolarHBondContact O-N 3.22Å; P16-E20 PolarHBondContact O-N 3.05Å
17V96Very high96.2Very high88 Ų8863.6 Ų63.653%0.53334%0.335SS..Hα-helixtrans-67.6-40.5176.5-178.50000110.9S15 E20 K21S15-V17 PolarHBondContact O-N 3.43Å; V17-E20 WeakPolarHBondContact O-CB 3.44Å; V17-E20 PolarHBondContact O-N 3.21Å; V17-K21 WeakPolarHBondContact O-CG 3.16Å; V17-K21 PolarHBondContact O-N 2.9Å
18F97.3Very high96.2Very high0 Ų060.8 Ų60.80%032%0.322CS..Hα-helixtrans-65.1-44174.6171.1-113.3000112.2L6 E10 C11 S15 E20 K21 I22 V182L6-F18 HydrophobicContact CB-CE2 4.46Å; L6-F18 HydrophobicContact CD2-CD2 4.39Å; L6-F18 HydrophobicContact CD2-CE2 4.26Å; E10-F18 HydrophobicContact CB-CB 3.96Å; E10-F18 HydrophobicContact CB-CD1 4.16Å; E10-F18 HydrophobicContact CB-CD2 3.27Å; E10-F18 HydrophobicContact CB-CE1 4.44Å; E10-F18 HydrophobicContact CB-CE2 3.62Å; E10-F18 HydrophobicContact CB-CG 3.55Å; E10-F18 HydrophobicContact CB-CZ 4.17Å; E10-F18 HydrophobicContact CG-CB 4.44Å; E10-F18 HydrophobicContact CG-CD2 4.11Å; E10-F18 HydrophobicContact CG-CG 4.46Å; C11-F18 HydrophobicContact CB-CZ 4.41Å; C11-F18 VanDerWaalsContact SG-CZ 3.59Å; S15-F18 WeakPolarHBondContact O-CB 3.22Å; S15-F18 PolarHBondContact O-N 3.41Å; S15-F18 WeakPolarHBondContact OG-CB 3.24Å; S15-F18 PolarHBondContact OG-N 3.22Å; F18-E20 PolarHBondContact O-N 3.05Å; F18-K21 WeakPolarHBondContact O-CB 3.48Å; F18-K21 PolarHBondContact O-N 3.5Å; F18-K21 VanDerWaalsContact O-N 3.12Å; F18-I22 HydrophobicContact CD1-CD1 4.12Å; F18-I22 HydrophobicContact CE1-CD1 3.63Å; F18-I22 HydrophobicContact CE2-CD1 4.16Å; F18-I22 HydrophobicContact CE2-CG1 4.42Å; F18-I22 HydrophobicContact CZ-CD1 3.67Å; F18-I22 HydrophobicContact CZ-CG1 4.4Å; F18-I22 PolarHBondContact O-N 2.99Å; F18-V182 HydrophobicContact CE2-CG2 4.28Å; F18-V182 HydrophobicContact CZ-CG2 3.8Å
19R96.8Very high96.2Very high50 Ų5056.8 Ų56.819%0.18931%0.305CS..Hα-helixtrans-60.7-30.2171.9-70.4-76.2-170.7162.1-1.3112.3D14 S15 P16 K23 Y134 T138D14-R19 VanDerWaalsContact CG-NE 3.34Å; D14-R19 WeakPolarHBondContact OD1-CD 3.33Å; D14-R19 IonicContact OD1-CZ 3.14Å; D14-R19 IonicContact OD1-NE 3.43Å; D14-R19 PolarHBondContact OD1-NE 2.97Å; D14-R19 IonicContact OD1-NH2 3.28Å; D14-R19 PolarHBondContact OD1-NH2 2.9Å; D14-R19 IonicContact OD2-CZ 2.97Å; D14-R19 IonicContact OD2-NE 2.93Å; D14-R19 PolarHBondContact OD2-NE 3.13Å; D14-R19 VanDerWaalsContact OD2-NE 3.16Å; D14-R19 IonicContact OD2-NH2 2.7Å; D14-R19 PolarHBondContact OD2-NH2 3Å; S15-R19 PolarHBondContact O-N 2.83Å; P16-R19 PolarHBondContact O-N 3.22Å; R19-K23 VanDerWaalsContact O-CG 3.29Å; R19-K23 WeakPolarHBondContact O-CG 3.41Å; R19-K23 PolarHBondContact O-N 3.43Å; R19-K23 VanDerWaalsContact O-N 3.1Å; R19-Y134 PolarHBondContact NE-OH 2.69Å; R19-Y134 VanDerWaalsContact NH1-CE1 3.3Å; R19-Y134 PolarHBondContact NH1-OH 2.8Å; R19-Y134 VanDerWaalsContact NH1-OH 3.11Å; R19-T138 PolarHBondContact NH1-OG1 2.61Å; R19-T138 PolarHBondContact NH2-OG1 3.35Å
20E96.8Very high96.1Very high128 Ų12855.3 Ų55.360%0.59829%0.291SS*.Hα-helixtrans-72.8-39.1172.3-174172.6-15900112.9P16 V17 F18 K23 S24P16-E20 PolarHBondContact O-N 3.05Å; V17-E20 WeakPolarHBondContact O-CB 3.44Å; V17-E20 PolarHBondContact O-N 3.21Å; F18-E20 PolarHBondContact O-N 3.05Å; E20-K23 PolarHBondContact O-N 3.37Å; E20-S24 PolarHBondContact O-N 2.72Å; E20-S24 PolarHBondContact O-OG 2.99Å
21K96.9Very high96.1Very high45 Ų4560.6 Ų60.620%0.19631%0.314CS..Hα-helixtrans-57.9-49.2169.4-63.6171.2179.6171.10110.6H4 L6 E10 V17 F18 K23 S24 H25H4-K21 HydrophobicContact CB-CD 4.41Å; H4-K21 HydrophobicContact CB-CG 4.32Å; L6-K21 HydrophobicContact CD2-CB 3.47Å; L6-K21 VanDerWaalsContact CD2-CB 3.47Å; L6-K21 HydrophobicContact CD2-CD 4.33Å; E10-K21 IonicContact OE1-NZ 2.68Å; E10-K21 PolarHBondContact OE1-NZ 2.87Å; E10-K21 IonicContact OE2-NZ 2.77Å; E10-K21 PolarHBondContact OE2-NZ 3.06Å; V17-K21 WeakPolarHBondContact O-CG 3.16Å; V17-K21 PolarHBondContact O-N 2.9Å; F18-K21 WeakPolarHBondContact O-CB 3.48Å; F18-K21 PolarHBondContact O-N 3.5Å; F18-K21 VanDerWaalsContact O-N 3.12Å; K21-K23 PolarHBondContact O-N 3.42Å; K21-S24 WeakPolarHBondContact O-CA 3.1Å; K21-S24 VanDerWaalsContact O-CB 3.28Å; K21-S24 WeakPolarHBondContact O-CB 3.41Å; K21-S24 PolarHBondContact O-N 2.86Å; K21-H25 PolarHBondContact O-CD2 3.32Å; K21-H25 PolarHBondContact O-N 2.99Å; K21-H25 VanDerWaalsContact O-N 3.08Å
22I97.1Very high96Very high3 Ų361.4 Ų61.42%0.01532%0.319CS..Hα-helixtrans-55.7-50.8177.8-71.5175.6000110.9L6 F18 S24 H25 E26 Y134 Y181 V182 L185L6-I22 HydrophobicContact CD1-CG1 4.3Å; L6-I22 HydrophobicContact CD2-CG1 3.94Å; F18-I22 HydrophobicContact CD1-CD1 4.12Å; F18-I22 HydrophobicContact CE1-CD1 3.63Å; F18-I22 HydrophobicContact CE2-CD1 4.16Å; F18-I22 HydrophobicContact CE2-CG1 4.42Å; F18-I22 HydrophobicContact CZ-CD1 3.67Å; F18-I22 HydrophobicContact CZ-CG1 4.4Å; F18-I22 PolarHBondContact O-N 2.99Å; I22-S24 PolarHBondContact O-N 3.15Å; I22-H25 WeakPolarHBondContact O-CB 3.46Å; I22-H25 PolarHBondContact O-N 2.76Å; I22-E26 HydrophobicContact CG2-CG 4.27Å; I22-E26 WeakPolarHBondContact O-CG 3.44Å; I22-E26 PolarHBondContact O-N 3.16Å; I22-Y134 HydrophobicContact CD1-CE1 4.36Å; I22-Y134 VanDerWaalsContact CD1-OH 3.32Å; I22-Y134 WeakPolarHBondContact CD1-OH 3.45Å; I22-Y181 HydrophobicContact CG2-CE1 4Å; I22-V182 HydrophobicContact CD1-CG2 4.15Å; I22-L185 HydrophobicContact CG2-CD1 4.13Å
23K96.2Very high96Very high135 Ų13556 Ų5659%0.58730%0.299SS*.Hα-helixtrans-56.6-33.4176.2-73.9167.9-177.1173.80113.1R19 E20 K21 A27R19-K23 VanDerWaalsContact O-CG 3.29Å; R19-K23 WeakPolarHBondContact O-CG 3.41Å; R19-K23 PolarHBondContact O-N 3.43Å; R19-K23 VanDerWaalsContact O-N 3.1Å; E20-K23 PolarHBondContact O-N 3.37Å; K21-K23 PolarHBondContact O-N 3.42Å; K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.36Å; K23-A27 PolarHBondContact O-N 2.88Å
24S96.3Very high96Very high57 Ų5756.2 Ų56.240%0.39929%0.29SS..Hα-helixtrans-68.2-41.4175.9-56.60000112L3 E20 K21 I22 E28L3-S24 WeakPolarHBondContact CD2-O 3.3Å; E20-S24 PolarHBondContact O-N 2.72Å; E20-S24 PolarHBondContact O-OG 2.99Å; K21-S24 WeakPolarHBondContact O-CA 3.1Å; K21-S24 VanDerWaalsContact O-CB 3.28Å; K21-S24 WeakPolarHBondContact O-CB 3.41Å; K21-S24 PolarHBondContact O-N 2.86Å; I22-S24 PolarHBondContact O-N 3.15Å; S24-E28 PolarHBondContact O-N 3.19Å
25H96.6Very high96Very high10 Ų1061.8 Ų61.85%0.04631%0.314CS..Hα-helixtrans-64.9-44.5172.6-80-95.1000111.9H4 K21 I22 A27 E28 L29 L185H4-H25 PolarHBondContact O-NE2 3.32Å; K21-H25 PolarHBondContact O-CD2 3.32Å; K21-H25 PolarHBondContact O-N 2.99Å; K21-H25 VanDerWaalsContact O-N 3.08Å; I22-H25 WeakPolarHBondContact O-CB 3.46Å; I22-H25 PolarHBondContact O-N 2.76Å; H25-A27 PolarHBondContact O-N 3.37Å; H25-E28 PolarHBondContact O-N 3.11Å; H25-L29 PolarHBondContact O-N 3Å; H25-L185 HydrophobicContact CB-CD1 4.32Å
26E95.8Very high95.9Very high25 Ų2560.3 Ų60.312%0.11730%0.303CS..Hα-helixtrans-57.6-48.1175.7-69.7177.7167.200112.5I22 E28 L29 D30 R131 Y181I22-E26 HydrophobicContact CG2-CG 4.27Å; I22-E26 WeakPolarHBondContact O-CG 3.44Å; I22-E26 PolarHBondContact O-N 3.16Å; E26-E28 PolarHBondContact O-N 3.45Å; E26-L29 PolarHBondContact O-N 3Å; E26-D30 PolarHBondContact O-N 3.45Å; E26-R131 IonicContact OE1-CZ 3.51Å; E26-R131 IonicContact OE1-NE 3.22Å; E26-R131 IonicContact OE1-NH1 3.19Å; E26-R131 PolarHBondContact OE1-NH1 2.92Å; E26-R131 IonicContact OE1-NH2 2.74Å; E26-R131 PolarHBondContact OE1-NH2 2.87Å; E26-R131 VanDerWaalsContact OE1-NH2 3.14Å; E26-R131 IonicContact OE2-CZ 3.87Å; E26-R131 IonicContact OE2-NH1 2.78Å; E26-R131 PolarHBondContact OE2-NH1 3.46Å; E26-R131 IonicContact OE2-NH2 3.17Å; E26-R131 PolarHBondContact OE2-NH2 2.85Å; E26-Y181 WeakPolarHBondContact CG-OH 3.39Å; E26-Y181 PolarHBondContact OE1-OH 3.44Å
27A95.8Very high95.8Very high62 Ų6258.9 Ų58.951%0.51229%0.285SS..Hα-helixtrans-62.7-32.3-179.200000112.3K23 H25 K31K23-A27 VanDerWaalsContact O-CB 3.3Å; K23-A27 WeakPolarHBondContact O-CB 3.36Å; K23-A27 PolarHBondContact O-N 2.88Å; H25-A27 PolarHBondContact O-N 3.37Å; A27-K31 WeakPolarHBondContact O-CB 3.42Å; A27-K31 PolarHBondContact O-N 2.91Å
28E95.3Very high95.8Very high43 Ų4359 Ų5920%0.20128%0.28CS..Hα-helixtrans-71.4-46.1173.6-156.7-70.1157.800111.5L3 S24 H25 E26 D30 K31 T32 Q189 K192L3-E28 HydrophobicContact CD1-CB 4.01Å; L3-E28 HydrophobicContact CD1-CG 4.05Å; S24-E28 PolarHBondContact O-N 3.19Å; H25-E28 PolarHBondContact O-N 3.11Å; E26-E28 PolarHBondContact O-N 3.45Å; E28-D30 VanDerWaalsContact C-N 3.28Å; E28-D30 PolarHBondContact O-N 3.07Å; E28-K31 CarbonylContact O-C 3.6Å; E28-K31 WeakPolarHBondContact O-CA 3.26Å; E28-K31 VanDerWaalsContact O-CB 3.31Å; E28-K31 WeakPolarHBondContact O-CB 3.21Å; E28-K31 PolarHBondContact O-N 2.8Å; E28-T32 PolarHBondContact O-N 3.25Å; E28-T32 PolarHBondContact O-OG1 2.89Å; E28-T32 PolarHBondContact OE1-OG1 3.3Å; E28-T32 PolarHBondContact OE2-OG1 3.18Å; E28-Q189 PolarHBondContact OE2-NE2 3.4Å; E28-Q189 PolarHBondContact OE2-OE1 2.89Å; E28-K192 IonicContact OE1-NZ 2.75Å; E28-K192 PolarHBondContact OE1-NZ 2.99Å; E28-K192 IonicContact OE2-NZ 2.86Å; E28-K192 PolarHBondContact OE2-NZ 3.5Å
29L95Very high95.6Very high13 Ų1361.4 Ų61.47%0.06829%0.293CS..Hα-helixtrans-60.8-37176.6-68-174000112.2H25 E26 T32 N33 L124 A127 L185 I188 Q189H25-L29 PolarHBondContact O-N 3Å; E26-L29 PolarHBondContact O-N 3Å; L29-T32 PolarHBondContact O-N 3.09Å; L29-N33 WeakPolarHBondContact O-CB 3.49Å; L29-N33 PolarHBondContact O-N 3Å; L29-L124 HydrophobicContact CD2-CD2 4.14Å; L29-A127 HydrophobicContact CD1-CB 4.28Å; L29-L185 HydrophobicContact CD1-CD2 3.58Å; L29-I188 HydrophobicContact CD1-CG2 4.34Å; L29-I188 HydrophobicContact CD2-CB 4.33Å; L29-I188 HydrophobicContact CD2-CG2 3.53Å; L29-Q189 HydrophobicContact CD2-CG 4.48Å; L29-Q189 VanDerWaalsContact CD2-NE2 3.34Å
30D94.8Very high95.5Very high43 Ų4360.4 Ų60.423%0.2329%0.289CS..Hα-helixtrans-75.8-24.1174.2-104-35.1000113.9E26 E28 N33 R34 K128E26-D30 PolarHBondContact O-N 3.45Å; E28-D30 VanDerWaalsContact C-N 3.28Å; E28-D30 PolarHBondContact O-N 3.07Å; D30-N33 PolarHBondContact OD1-ND2 3.47Å; D30-R34 WeakPolarHBondContact O-CG 3.32Å; D30-R34 VanDerWaalsContact O-CZ 3.28Å; D30-R34 PolarHBondContact O-N 3.27Å; D30-R34 VanDerWaalsContact O-N 3.12Å; D30-R34 PolarHBondContact O-NH1 2.96Å; D30-K128 WeakPolarHBondContact OD1-CE 3.44Å; D30-K128 IonicContact OD1-NZ 3.16Å; D30-K128 PolarHBondContact OD1-NZ 2.93Å; D30-K128 IonicContact OD2-NZ 3.67Å; D30-K128 PolarHBondContact OD2-NZ 3.04Å
31K95.1Very high95.5Very high137 Ų13759.1 Ų59.160%0.59628%0.282SS*.Hα-helixtrans-66-45.7165.7-176.5-170.9175.6-170.50110.4A27 E28 R34 F35A27-K31 WeakPolarHBondContact O-CB 3.42Å; A27-K31 PolarHBondContact O-N 2.91Å; E28-K31 CarbonylContact O-C 3.6Å; E28-K31 WeakPolarHBondContact O-CA 3.26Å; E28-K31 VanDerWaalsContact O-CB 3.31Å; E28-K31 WeakPolarHBondContact O-CB 3.21Å; E28-K31 PolarHBondContact O-N 2.8Å; K31-R34 PolarHBondContact O-N 3.07Å; K31-F35 PolarHBondContact O-N 3.33Å
32T94.3Very high95.4Very high18 Ų1861 Ų6111%0.1129%0.293CS..Hα-helixtrans-61.7-43.8176.4-64.70000111.5E28 L29 R34 F35 I36 F119 L124E28-T32 PolarHBondContact O-N 3.25Å; E28-T32 PolarHBondContact O-OG1 2.89Å; E28-T32 PolarHBondContact OE1-OG1 3.3Å; E28-T32 PolarHBondContact OE2-OG1 3.18Å; L29-T32 PolarHBondContact O-N 3.09Å; T32-R34 PolarHBondContact O-N 3.17Å; T32-F35 PolarHBondContact O-N 2.64Å; T32-I36 HydrophobicContact CG2-CD1 3.84Å; T32-I36 HydrophobicContact CG2-CG1 4.49Å; T32-I36 WeakPolarHBondContact O-CG1 3.49Å; T32-I36 PolarHBondContact O-N 2.78Å; T32-F119 HydrophobicContact CG2-CE1 4.42Å; T32-L124 HydrophobicContact CG2-CD1 4.24Å
33N95.3Very high95.2Very high18 Ų1861.3 Ų61.310%0.09630%0.298CS..Hα-helixtrans-56.7-43.4172.1179.122.6000112.6L29 D30 K37 L124L29-N33 WeakPolarHBondContact O-CB 3.49Å; L29-N33 PolarHBondContact O-N 3Å; D30-N33 PolarHBondContact OD1-ND2 3.47Å; N33-K37 VanDerWaalsContact O-CG 3.27Å; N33-K37 WeakPolarHBondContact O-CG 3.5Å; N33-K37 PolarHBondContact O-N 3.38Å; N33-K37 WeakPolarHBondContact OD1-CE 3.4Å; N33-L124 HydrophobicContact CB-CD1 3.99Å
34R95.4Very high95.2Very high140 Ų14059.4 Ų59.453%0.52829%0.289SS..Hα-helixtrans-67.2-43.2175.6-74.1-175.1-62.9-88.11.8112.3D30 K31 T32 K37 E38D30-R34 WeakPolarHBondContact O-CG 3.32Å; D30-R34 VanDerWaalsContact O-CZ 3.28Å; D30-R34 PolarHBondContact O-N 3.27Å; D30-R34 VanDerWaalsContact O-N 3.12Å; D30-R34 PolarHBondContact O-NH1 2.96Å; K31-R34 PolarHBondContact O-N 3.07Å; T32-R34 PolarHBondContact O-N 3.17Å; R34-K37 WeakPolarHBondContact O-CB 3.25Å; R34-K37 PolarHBondContact O-N 2.84Å; R34-E38 PolarHBondContact O-N 3.33Å
35F94.3Very high95.2Very high136 Ų13660.8 Ų60.860%0.59629%0.292SS*.Hα-helixtrans-60.2-49.1177.7177.1-107.6000112K31 T32 K37 E38 L39K31-F35 PolarHBondContact O-N 3.33Å; T32-F35 PolarHBondContact O-N 2.64Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.44Å; F35-E38 PolarHBondContact O-N 2.9Å; F35-L39 HydrophobicContact CE1-CD2 3.73Å; F35-L39 HydrophobicContact CZ-CD2 3.78Å; F35-L39 WeakPolarHBondContact O-CB 3.5Å; F35-L39 PolarHBondContact O-N 2.74Å
36I95.1Very high95.1Very high2 Ų264.3 Ų64.31%0.0131%0.311CS..Hα-helixtrans-65.9-31.1179.9-62.7171.1000111.8T32 Y40 L116 F119 R120 L124T32-I36 HydrophobicContact CG2-CD1 3.84Å; T32-I36 HydrophobicContact CG2-CG1 4.49Å; T32-I36 WeakPolarHBondContact O-CG1 3.49Å; T32-I36 PolarHBondContact O-N 2.78Å; I36-Y40 WeakPolarHBondContact O-CB 3.36Å; I36-Y40 PolarHBondContact O-N 3.01Å; I36-L116 HydrophobicContact CG2-CB 4.06Å; I36-L116 HydrophobicContact CG2-CD2 4.32Å; I36-F119 HydrophobicContact CD1-CD1 3.7Å; I36-F119 HydrophobicContact CD1-CE1 3.96Å; I36-R120 HydrophobicContact CG2-CB 4.04Å; I36-L124 HydrophobicContact CD1-CD1 4.19Å
37K95.4Very high95.1Very high83 Ų8363.7 Ų63.736%0.36131%0.309SS..Hα-helixtrans-60.6-52.3173.1-81.6171.8179.6-175.40112.3N33 R34 F35 K41 R120N33-K37 VanDerWaalsContact O-CG 3.27Å; N33-K37 WeakPolarHBondContact O-CG 3.5Å; N33-K37 PolarHBondContact O-N 3.38Å; N33-K37 WeakPolarHBondContact OD1-CE 3.4Å; R34-K37 WeakPolarHBondContact O-CB 3.25Å; R34-K37 PolarHBondContact O-N 2.84Å; F35-K37 VanDerWaalsContact C-N 3.29Å; F35-K37 PolarHBondContact O-N 3.44Å; K37-K41 WeakPolarHBondContact O-CB 3.37Å; K37-K41 PolarHBondContact O-N 2.92Å; K37-K41 VanDerWaalsContact O-N 3.1Å; K37-R120 VanDerWaalsContact CG-CZ 3.5Å
38E95.8Very high95.2Very high92 Ų9264.7 Ų64.743%0.4331%0.305SS..Hα-helixtrans-70-42.9-178.2-60.8-53.1113.300110.9R34 F35 Y40 K41 D42R34-E38 PolarHBondContact O-N 3.33Å; F35-E38 PolarHBondContact O-N 2.9Å; E38-Y40 VanDerWaalsContact C-N 3.32Å; E38-Y40 PolarHBondContact O-N 2.74Å; E38-K41 CarbonylContact O-C 3.42Å; E38-K41 WeakPolarHBondContact O-CA 3.28Å; E38-K41 WeakPolarHBondContact O-CB 3.4Å; E38-K41 PolarHBondContact O-N 3.45Å; E38-K41 WeakPolarHBondContact OE2-CD 3.41Å; E38-K41 IonicContact OE2-NZ 2.67Å; E38-K41 PolarHBondContact OE2-NZ 3.3Å; E38-D42 PolarHBondContact O-N 3.5Å
39L93.4Very high95.3Very high50 Ų5065.7 Ų65.726%0.26232%0.321SS..Hα-helixtrans-60.5-38.5178-174.554.1000113.1F35 G43 M200F35-L39 HydrophobicContact CE1-CD2 3.73Å; F35-L39 HydrophobicContact CZ-CD2 3.78Å; F35-L39 WeakPolarHBondContact O-CB 3.5Å; F35-L39 PolarHBondContact O-N 2.74Å; L39-G43 PolarHBondContact O-N 2.94Å; L39-M200 HydrophobicContact CD2-CE 3.47Å; L39-M200 VanDerWaalsContact CD2-CE 3.47Å; L39-M200 HydrophobicContact CD2-SD 4.14Å; L39-M200 HydrophobicContact CG-CE 4.43Å
40Y94.6Very high95.4Very high29 Ų2966.1 Ų66.111%0.11432%0.324CS..Hα-helixtrans-71-31.3173.6174.2-84.5000112.9I36 E38 K44 M113 E117I36-Y40 WeakPolarHBondContact O-CB 3.36Å; I36-Y40 PolarHBondContact O-N 3.01Å; E38-Y40 VanDerWaalsContact C-N 3.32Å; E38-Y40 PolarHBondContact O-N 2.74Å; Y40-K44 HydrophobicContact CE1-CD 3.97Å; Y40-K44 PolarHBondContact O-N 3.19Å; Y40-K44 WeakPolarHBondContact OH-CE 3.36Å; Y40-K44 PolarHBondContact OH-NZ 2.97Å; Y40-M113 HydrophobicContact CD2-CE 3.69Å; Y40-M113 HydrophobicContact CE2-CB 4.32Å; Y40-M113 HydrophobicContact CE2-CE 4.01Å; Y40-M113 WeakPolarHBondContact CE2-O 3.32Å; Y40-M113 HydrophobicContact CG-CE 4Å; Y40-M113 WeakPolarHBondContact O-CE 2.93Å; Y40-E117 HydrophobicContact CD2-CB 4.17Å; Y40-E117 HydrophobicContact CE2-CB 3.69Å; Y40-E117 HydrophobicContact CE2-CG 4.22Å; Y40-E117 VanDerWaalsContact CE2-OE2 3.3Å; Y40-E117 WeakPolarHBondContact CE2-OE2 3.4Å; Y40-E117 VanDerWaalsContact OH-CD 3.24Å; Y40-E117 PolarHBondContact OH-OE2 2.94Å
41K96.4Very high95.5Very high101 Ų10168.7 Ų68.744%0.43933%0.333SS..Hα-helixtrans-68.9-44.4173161.9-163.9164.8-161.20110.5K37 E38 K44 N45K37-K41 WeakPolarHBondContact O-CB 3.37Å; K37-K41 PolarHBondContact O-N 2.92Å; K37-K41 VanDerWaalsContact O-N 3.1Å; E38-K41 CarbonylContact O-C 3.42Å; E38-K41 WeakPolarHBondContact O-CA 3.28Å; E38-K41 WeakPolarHBondContact O-CB 3.4Å; E38-K41 PolarHBondContact O-N 3.45Å; E38-K41 WeakPolarHBondContact OE2-CD 3.41Å; E38-K41 IonicContact OE2-NZ 2.67Å; E38-K41 PolarHBondContact OE2-NZ 3.3Å; K41-K44 WeakPolarHBondContact O-CB 3.27Å; K41-K44 PolarHBondContact O-N 3.42Å; K41-K44 VanDerWaalsContact O-N 3.13Å; K41-N45 VanDerWaalsContact O-CG 3.31Å; K41-N45 PolarHBondContact O-N 3.14Å; K41-N45 PolarHBondContact O-ND2 3.33Å
42D95.1Very high95.6Very high83 Ų8368.3 Ų68.344%0.44433%0.333SS..Hα-helixtrans-70.6-35.9179.4-64.5-28.6000112E38 K44 N45 L46E38-D42 PolarHBondContact O-N 3.5Å; D42-K44 VanDerWaalsContact C-N 3.29Å; D42-K44 PolarHBondContact O-N 3.17Å; D42-N45 WeakPolarHBondContact O-CB 3.5Å; D42-N45 PolarHBondContact O-N 2.7Å; D42-N45 VanDerWaalsContact O-N 3.13Å; D42-N45 PolarHBondContact OD1-ND2 3.24Å; D42-L46 PolarHBondContact O-N 2.95Å
43G94.1Very high95.8Very high10 Ų1071 Ų7110%0.10335%0.347CS..Hα-helixtrans-58.7-36.6167.600000113.2L39 I47L39-G43 PolarHBondContact O-N 2.94Å; G43-I47 WeakPolarHBondContact O-CD1 3.48Å; G43-I47 VanDerWaalsContact O-CG1 3.3Å; G43-I47 WeakPolarHBondContact O-CG1 3.41Å; G43-I47 PolarHBondContact O-N 3.03Å
44K95.8Very high95.9Very high95 Ų9570.2 Ų70.241%0.41334%0.343SS..Hα-helixtrans-70-38.1172.9-78.9-171.7177177.90112.3Y40 K41 D42 I47 N48 M113Y40-K44 HydrophobicContact CE1-CD 3.97Å; Y40-K44 PolarHBondContact O-N 3.19Å; Y40-K44 WeakPolarHBondContact OH-CE 3.36Å; Y40-K44 PolarHBondContact OH-NZ 2.97Å; K41-K44 WeakPolarHBondContact O-CB 3.27Å; K41-K44 PolarHBondContact O-N 3.42Å; K41-K44 VanDerWaalsContact O-N 3.13Å; D42-K44 VanDerWaalsContact C-N 3.29Å; D42-K44 PolarHBondContact O-N 3.17Å; K44-I47 PolarHBondContact O-N 2.88Å; K44-N48 WeakPolarHBondContact O-CB 3.42Å; K44-N48 VanDerWaalsContact O-CG 3.23Å; K44-N48 PolarHBondContact O-N 3.47Å; K44-N48 PolarHBondContact O-ND2 2.77Å; K44-M113 HydrophobicContact CG-CE 3.75Å
45N96.6Very high96Very high86 Ų8668.5 Ų68.546%0.4634%0.344SS..Hα-helixtrans-62.2-45.8175.1-64.3-27.3000110.7K41 D42 N48 A49K41-N45 VanDerWaalsContact O-CG 3.31Å; K41-N45 PolarHBondContact O-N 3.14Å; K41-N45 PolarHBondContact O-ND2 3.33Å; D42-N45 WeakPolarHBondContact O-CB 3.5Å; D42-N45 PolarHBondContact O-N 2.7Å; D42-N45 VanDerWaalsContact O-N 3.13Å; D42-N45 PolarHBondContact OD1-ND2 3.24Å; N45-N48 PolarHBondContact O-N 3.13Å; N45-A49 PolarHBondContact O-N 3.28Å
46L94.6Very high96.2Very high84 Ų8465 Ų6544%0.4434%0.339SS..Hα-helixtrans-57.8-52.9175179.461.7000111.7D42 N48 A49 T50 F203D42-L46 PolarHBondContact O-N 2.95Å; L46-N48 VanDerWaalsContact C-N 3.28Å; L46-N48 PolarHBondContact O-N 3.41Å; L46-A49 PolarHBondContact O-N 2.97Å; L46-T50 PolarHBondContact O-N 3.43Å; L46-T50 PolarHBondContact O-OG1 3.11Å; L46-F203 HydrophobicContact CD2-CE2 4.23Å; L46-F203 HydrophobicContact CD2-CZ 4.26Å
47I95.6Very high96.3Very high13 Ų1367 Ų677%0.06735%0.349CS..Hα-helixtrans-57.9-40.5177.4-70.4164.1000111.4G43 K44 T50 K51 M105 I108 M113G43-I47 WeakPolarHBondContact O-CD1 3.48Å; G43-I47 VanDerWaalsContact O-CG1 3.3Å; G43-I47 WeakPolarHBondContact O-CG1 3.41Å; G43-I47 PolarHBondContact O-N 3.03Å; K44-I47 PolarHBondContact O-N 2.88Å; I47-T50 PolarHBondContact O-N 3.21Å; I47-K51 HydrophobicContact CG2-CD 4.4Å; I47-K51 WeakPolarHBondContact O-CG 3.38Å; I47-K51 PolarHBondContact O-N 2.68Å; I47-M105 HydrophobicContact CG2-SD 4.4Å; I47-I108 HydrophobicContact CD1-CG2 4.23Å; I47-I108 HydrophobicContact CG1-CG2 4.49Å; I47-M113 HydrophobicContact CD1-CG 3.86Å; I47-M113 HydrophobicContact CD1-SD 4.25Å
48N96.7Very high96.5Very high83 Ų8366.6 Ų66.644%0.44435%0.345SS..Hα-helixtrans-70.5-38.1179.7-73.4-17.4000112.7K44 N45 L46 K51 Q52K44-N48 WeakPolarHBondContact O-CB 3.42Å; K44-N48 VanDerWaalsContact O-CG 3.23Å; K44-N48 PolarHBondContact O-N 3.47Å; K44-N48 PolarHBondContact O-ND2 2.77Å; N45-N48 PolarHBondContact O-N 3.13Å; L46-N48 VanDerWaalsContact C-N 3.28Å; L46-N48 PolarHBondContact O-N 3.41Å; N48-K51 PolarHBondContact O-N 2.78Å; N48-Q52 PolarHBondContact O-N 3.1Å
49A97.7Very high96.6Very high64 Ų6469.3 Ų69.353%0.52936%0.355SS..Hα-helixtrans-63.5-44.8171.900000111.4N45 L46 K51 Q52 L53N45-A49 PolarHBondContact O-N 3.28Å; L46-A49 PolarHBondContact O-N 2.97Å; A49-K51 VanDerWaalsContact C-N 3.3Å; A49-K51 PolarHBondContact O-N 3.41Å; A49-Q52 PolarHBondContact O-N 3.16Å; A49-Q52 VanDerWaalsContact O-N 3.12Å; A49-L53 PolarHBondContact O-N 2.83Å; A49-L53 VanDerWaalsContact O-N 3.11Å
50T96.6Very high96.8Very high22 Ų2273 Ų7314%0.13537%0.369CS..Hα-helixtrans-60.9-35.9176.4-51.10000112.3L46 I47 L53 V54 R101 M104 M105L46-T50 PolarHBondContact O-N 3.43Å; L46-T50 PolarHBondContact O-OG1 3.11Å; I47-T50 PolarHBondContact O-N 3.21Å; T50-L53 WeakPolarHBondContact O-CB 3.38Å; T50-L53 PolarHBondContact O-N 3.17Å; T50-V54 WeakPolarHBondContact O-CG2 3.45Å; T50-V54 PolarHBondContact O-N 3.03Å; T50-R101 HydrophobicContact CG2-CG 3.7Å; T50-M104 HydrophobicContact CG2-CE 4.23Å; T50-M105 VanDerWaalsContact CB-SD 3.52Å; T50-M105 HydrophobicContact CG2-CE 4.25Å; T50-M105 HydrophobicContact CG2-CG 3.64Å; T50-M105 HydrophobicContact CG2-SD 3.5Å; T50-M105 VanDerWaalsContact CG2-SD 3.5Å
51K97.3Very high96.9Very high96 Ų9671.6 Ų71.642%0.41736%0.364SS..Hα-helixtrans-63-40.7172.4-74.2169.8-173.7166.20113.3I47 N48 A49 L53 V54 L55 M105I47-K51 HydrophobicContact CG2-CD 4.4Å; I47-K51 WeakPolarHBondContact O-CG 3.38Å; I47-K51 PolarHBondContact O-N 2.68Å; N48-K51 PolarHBondContact O-N 2.78Å; A49-K51 VanDerWaalsContact C-N 3.3Å; A49-K51 PolarHBondContact O-N 3.41Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.19Å; K51-V54 PolarHBondContact O-N 3.12Å; K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 2.96Å; K51-M105 HydrophobicContact CG-CE 4.02Å; K51-M105 HydrophobicContact CG-SD 3.69Å
52Q97.9Very high97Very high129 Ų12971.5 Ų71.560%0.60337%0.365SS*.Hα-helixtrans-65.4-36.8176.9-62.3-56.4-30.500111.3N48 A49 L55 A56N48-Q52 PolarHBondContact O-N 3.1Å; A49-Q52 PolarHBondContact O-N 3.16Å; A49-Q52 VanDerWaalsContact O-N 3.12Å; Q52-L55 PolarHBondContact O-N 2.71Å; Q52-A56 WeakPolarHBondContact O-CB 3.37Å; Q52-A56 PolarHBondContact O-N 3.29Å
53L97.4Very high97Very high75 Ų7570.8 Ų70.839%0.39337%0.366SS..Hα-helixtrans-61.5-49.3172.6-177.864.4000111.9A49 T50 K51 L55 A56 Q57A49-L53 PolarHBondContact O-N 2.83Å; A49-L53 VanDerWaalsContact O-N 3.11Å; T50-L53 WeakPolarHBondContact O-CB 3.38Å; T50-L53 PolarHBondContact O-N 3.17Å; K51-L53 VanDerWaalsContact C-N 3.29Å; K51-L53 PolarHBondContact O-N 3.19Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 2.89Å; L53-A56 PolarHBondContact O-N 3.21Å; L53-Q57 HydrophobicContact CD1-CG 4.01Å; L53-Q57 VanDerWaalsContact CD1-OE1 3.28Å; L53-Q57 HydrophobicContact CG-CG 4.42Å; L53-Q57 VanDerWaalsContact CG-OE1 3.22Å; L53-Q57 WeakPolarHBondContact O-CB 3.18Å; L53-Q57 WeakPolarHBondContact O-CG 3.26Å; L53-Q57 PolarHBondContact O-N 3.06Å
54V98Very high97.1Very high2 Ų271.8 Ų71.81%0.01237%0.369CS..Hα-helixtrans-54.8-47175.4169.50000111.4T50 K51 Q57 R58 E98 R101 E102 M105T50-V54 WeakPolarHBondContact O-CG2 3.45Å; T50-V54 PolarHBondContact O-N 3.03Å; K51-V54 PolarHBondContact O-N 3.12Å; V54-Q57 PolarHBondContact O-N 3.03Å; V54-R58 HydrophobicContact CG1-CG 4.43Å; V54-R58 VanDerWaalsContact O-CB 3.32Å; V54-R58 WeakPolarHBondContact O-CB 3.32Å; V54-R58 PolarHBondContact O-N 2.88Å; V54-E98 WeakPolarHBondContact CA-OE2 3.37Å; V54-E98 HydrophobicContact CG1-CB 4.4Å; V54-E98 WeakPolarHBondContact CG2-OE2 3.31Å; V54-R101 HydrophobicContact CG2-CB 4.16Å; V54-R101 HydrophobicContact CG2-CG 4.25Å; V54-E102 HydrophobicContact CG1-CG 4.02Å; V54-E102 HydrophobicContact CG2-CG 4.23Å; V54-M105 HydrophobicContact CG2-CE 3.69Å
55L97.7Very high96.9Very high104 Ų10468.1 Ų68.155%0.54536%0.358SS..Hα-helixtrans-63.8-42.7-179.6-70.4170.5000112K51 Q52 L53 K59K51-L55 WeakPolarHBondContact O-CG 3.41Å; K51-L55 PolarHBondContact O-N 2.96Å; Q52-L55 PolarHBondContact O-N 2.71Å; L53-L55 VanDerWaalsContact C-N 3.32Å; L53-L55 PolarHBondContact O-N 2.89Å; L55-K59 WeakPolarHBondContact O-CB 3.44Å; L55-K59 PolarHBondContact O-N 2.89Å
56A98.3Very high96.8Very high61 Ų6170 Ų7050%0.50436%0.364SS..Hα-helixtrans-65.8-47.8177.100000112Q52 L53 K59 F60Q52-A56 WeakPolarHBondContact O-CB 3.37Å; Q52-A56 PolarHBondContact O-N 3.29Å; L53-A56 PolarHBondContact O-N 3.21Å; A56-K59 PolarHBondContact O-N 2.69Å; A56-F60 PolarHBondContact O-N 2.95Å
57Q98.1Very high96.6Very high45 Ų4571.3 Ų71.321%0.2137%0.367CS..Hα-helixtrans-67.4-40.6-179.2-71-167.4-108.200112.3L53 V54 F60 A61 E98L53-Q57 HydrophobicContact CD1-CG 4.01Å; L53-Q57 VanDerWaalsContact CD1-OE1 3.28Å; L53-Q57 HydrophobicContact CG-CG 4.42Å; L53-Q57 VanDerWaalsContact CG-OE1 3.22Å; L53-Q57 WeakPolarHBondContact O-CB 3.18Å; L53-Q57 WeakPolarHBondContact O-CG 3.26Å; L53-Q57 PolarHBondContact O-N 3.06Å; V54-Q57 PolarHBondContact O-N 3.03Å; Q57-F60 PolarHBondContact O-N 2.87Å; Q57-A61 WeakPolarHBondContact O-CB 3.33Å; Q57-A61 PolarHBondContact O-N 3.18Å; Q57-E98 HydrophobicContact CB-CG 3.73Å; Q57-E98 VanDerWaalsContact CD-OE1 3.32Å; Q57-E98 PolarHBondContact NE2-OE1 3.19Å; Q57-E98 PolarHBondContact OE1-OE1 3.22Å
58R98Very high96.2Very high74 Ų7478.3 Ų78.328%0.27940%0.399SS..Hα-helixtrans-64.5-38.4172.9-79.8-173.8173.7150.3-3112.6V54 A61 Q62 E98 D99 E102V54-R58 HydrophobicContact CG1-CG 4.43Å; V54-R58 VanDerWaalsContact O-CB 3.32Å; V54-R58 WeakPolarHBondContact O-CB 3.32Å; V54-R58 PolarHBondContact O-N 2.88Å; R58-A61 CarbonylContact O-C 3.59Å; R58-A61 PolarHBondContact O-N 3.36Å; R58-Q62 PolarHBondContact O-N 3.03Å; R58-E98 HydrophobicContact CG-CB 4.15Å; R58-D99 IonicContact CZ-OD1 2.68Å; R58-D99 IonicContact NE-OD1 2.87Å; R58-D99 IonicContact NH2-OD1 3.49Å; R58-D99 PolarHBondContact NH2-OD1 3.24Å; R58-E102 IonicContact CZ-OE1 3.7Å; R58-E102 IonicContact CZ-OE2 3.9Å; R58-E102 IonicContact NH1-OE1 3.72Å; R58-E102 PolarHBondContact NH1-OE1 2.95Å; R58-E102 IonicContact NH1-OE2 2.85Å; R58-E102 PolarHBondContact NH1-OE2 2.67Å; R58-E102 VanDerWaalsContact NH1-OE2 3.15Å; R58-E102 VanDerWaalsContact NH2-CD 3.27Å; R58-E102 IonicContact NH2-OE1 3.98Å; R58-E102 IonicContact NH2-OE2 3.2Å; R58-E102 PolarHBondContact NH2-OE2 3.06Å
59K97.8Very high95.7Very high150 Ų15078.4 Ų78.465%0.65240%0.396SS*.Hα-helixtrans-64.2-44.3175-173.9-178.5-177.2-173.50111.6L55 A56 Q62 S63L55-K59 WeakPolarHBondContact O-CB 3.44Å; L55-K59 PolarHBondContact O-N 2.89Å; A56-K59 PolarHBondContact O-N 2.69Å; K59-Q62 WeakPolarHBondContact O-CB 3.48Å; K59-Q62 PolarHBondContact O-N 3.38Å; K59-Q62 VanDerWaalsContact O-N 3.12Å; K59-S63 PolarHBondContact O-N 3.39Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 3.23Å
60F97.9Very high95.2Very high126 Ų12684.7 Ų84.755%0.55341%0.414SS*.Hα-helixtrans-60.7-44.7174.5-179.7-117.5000111.6A56 Q57 Q62 S63 L64 L94A56-F60 PolarHBondContact O-N 2.95Å; Q57-F60 PolarHBondContact O-N 2.87Å; F60-Q62 PolarHBondContact O-N 2.92Å; F60-S63 PolarHBondContact O-N 3.09Å; F60-L64 HydrophobicContact CD1-CD1 4.12Å; F60-L64 HydrophobicContact CE1-CD1 3.74Å; F60-L64 HydrophobicContact CE1-CG 4.43Å; F60-L64 HydrophobicContact CE2-CD2 4.49Å; F60-L64 HydrophobicContact CE2-CG 4.46Å; F60-L64 HydrophobicContact CZ-CD1 4.01Å; F60-L64 HydrophobicContact CZ-CD2 4.29Å; F60-L64 HydrophobicContact CZ-CG 4.29Å; F60-L64 WeakPolarHBondContact O-CG 3.45Å; F60-L64 PolarHBondContact O-N 3Å; F60-L94 HydrophobicContact CD1-CD1 3.88Å; F60-L94 HydrophobicContact CE1-CD1 4.12Å
61A98Very high94.6Very high0 Ų088.9 Ų88.90%043%0.428CS..Hα-helixtrans-65.7-21.4174.100000114Q57 R58 S91 L94 K95Q57-A61 WeakPolarHBondContact O-CB 3.33Å; Q57-A61 PolarHBondContact O-N 3.18Å; R58-A61 CarbonylContact O-C 3.59Å; R58-A61 PolarHBondContact O-N 3.36Å; A61-S91 WeakPolarHBondContact O-CB 3.29Å; A61-S91 PolarHBondContact O-OG 2.94Å; A61-L94 HydrophobicContact CB-CB 3.67Å; A61-L94 HydrophobicContact CB-CD1 4.12Å; A61-K95 HydrophobicContact CB-CG 4.03Å; A61-K95 VanDerWaalsContact O-CE 3.3Å; A61-K95 WeakPolarHBondContact O-CE 3.3Å; A61-K95 PolarHBondContact O-NZ 3.04Å
62Q96.9Very high93.7Very high100 Ų10090.2 Ų90.247%0.46744%0.439SS..Hα-helixtrans-72.1-53168.9179.9175.4-4.400110.2R58 K59 F60 L64 G65 E66R58-Q62 PolarHBondContact O-N 3.03Å; K59-Q62 WeakPolarHBondContact O-CB 3.48Å; K59-Q62 PolarHBondContact O-N 3.38Å; K59-Q62 VanDerWaalsContact O-N 3.12Å; F60-Q62 PolarHBondContact O-N 2.92Å; Q62-L64 PolarHBondContact O-N 2.93Å; Q62-G65 PolarHBondContact O-N 3.12Å; Q62-E66 HydrophobicContact CG-CG 4.34Å; Q62-E66 VanDerWaalsContact CG-OE1 3.26Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.4Å; Q62-E66 PolarHBondContact NE2-OE1 3.02Å; Q62-E66 PolarHBondContact O-N 2.99Å; Q62-E66 VanDerWaalsContact O-N 3.09Å
63S96.6Very high93Very high67 Ų6786.2 Ų86.247%0.46943%0.432SS..Hα-helixtrans-61.5-27.1-179-58.20000114.1K59 F60K59-S63 PolarHBondContact O-N 3.39Å; K59-S63 VanDerWaalsContact O-N 3.1Å; K59-S63 PolarHBondContact O-OG 3.23Å; F60-S63 PolarHBondContact O-N 3.09Å
64L94.8Very high92.4Very high32 Ų3287.8 Ų87.817%0.16844%0.44CS..Hα-helixtrans-69-43.4170.5-70.4175.3000112.8F60 Q62 E66 L87 F90 L94F60-L64 HydrophobicContact CD1-CD1 4.12Å; F60-L64 HydrophobicContact CE1-CD1 3.74Å; F60-L64 HydrophobicContact CE1-CG 4.43Å; F60-L64 HydrophobicContact CE2-CD2 4.49Å; F60-L64 HydrophobicContact CE2-CG 4.46Å; F60-L64 HydrophobicContact CZ-CD1 4.01Å; F60-L64 HydrophobicContact CZ-CD2 4.29Å; F60-L64 HydrophobicContact CZ-CG 4.29Å; F60-L64 WeakPolarHBondContact O-CG 3.45Å; F60-L64 PolarHBondContact O-N 3Å; Q62-L64 PolarHBondContact O-N 2.93Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-E66 PolarHBondContact O-N 2.98Å; L64-L87 HydrophobicContact CD2-CD2 4.42Å; L64-L87 WeakPolarHBondContact O-CB 3.44Å; L64-F90 HydrophobicContact CD1-CB 4.27Å; L64-L94 HydrophobicContact CD1-CD1 3.92Å
65G93.3Very high91.9Very high17 Ų1788.3 Ų88.318%0.17545%0.445CS..Hα-helixtrans-77.8-14.9-178.400000114.9Q62 Q88Q62-G65 PolarHBondContact O-N 3.12Å; G65-Q88 PolarHBondContact O-OE1 3.31Å
66E92.9Very high91.5Very high126 Ų12684.6 Ų84.659%0.58942%0.424SS*.THydrogen-bonded Turntrans-87.5-11.1176-71.4172.9170.200113.2Q62 L64Q62-E66 HydrophobicContact CG-CG 4.34Å; Q62-E66 VanDerWaalsContact CG-OE1 3.26Å; Q62-E66 WeakPolarHBondContact CG-OE1 3.4Å; Q62-E66 PolarHBondContact NE2-OE1 3.02Å; Q62-E66 PolarHBondContact O-N 2.99Å; Q62-E66 VanDerWaalsContact O-N 3.09Å; L64-E66 VanDerWaalsContact C-N 3.34Å; L64-E66 PolarHBondContact O-N 2.98Å
67F90.6Very high91.1Very high112 Ų11281.8 Ų81.849%0.49140%0.401SS..  trans-82.1141.6179.4-168.7-83.3000111.9F69 L87F67-F69 HydrophobicContact CD1-CD2 4.03Å; F67-F69 AromaticContact CD1-CE2 3.91Å; F67-F69 HydrophobicContact CD1-CE2 3.91Å; F67-F69 HydrophobicContact CD1-CG 4.49Å; F67-F69 HydrophobicContact CD1-CZ 4.24Å; F67-F69 AromaticContact CE1-CD1 3.87Å; F67-F69 HydrophobicContact CE1-CD1 3.87Å; F67-F69 AromaticContact CE1-CD2 3.86Å; F67-F69 HydrophobicContact CE1-CD2 3.86Å; F67-F69 AromaticContact CE1-CE1 3.86Å; F67-F69 HydrophobicContact CE1-CE1 3.86Å; F67-F69 AromaticContact CE1-CE2 3.87Å; F67-F69 HydrophobicContact CE1-CE2 3.87Å; F67-F69 AromaticContact CE1-CG 3.89Å; F67-F69 HydrophobicContact CE1-CG 3.89Å; F67-F69 AromaticContact CE1-CZ 3.86Å; F67-F69 HydrophobicContact CE1-CZ 3.86Å; F67-L87 HydrophobicContact CB-CD1 3.94Å; F67-L87 HydrophobicContact CD1-CD1 3.55Å; F67-L87 HydrophobicContact CE1-CD1 4.34Å; F67-L87 HydrophobicContact CG-CD1 3.93Å
68Q86.8Confident90.6Very high160 Ų16082.4 Ų82.475%0.74841%0.406SS*.  trans-136.6141.9175.2-63-177.9-0.900109.5
69F87.4Confident90.2Very high84 Ų8479.7 Ų79.737%0.36840%0.397SS..  trans-90.7117-179.8-65.5-101.8000111.1F67 K76 D84 L87F67-F69 HydrophobicContact CD1-CD2 4.03Å; F67-F69 AromaticContact CD1-CE2 3.91Å; F67-F69 HydrophobicContact CD1-CE2 3.91Å; F67-F69 HydrophobicContact CD1-CG 4.49Å; F67-F69 HydrophobicContact CD1-CZ 4.24Å; F67-F69 AromaticContact CE1-CD1 3.87Å; F67-F69 HydrophobicContact CE1-CD1 3.87Å; F67-F69 AromaticContact CE1-CD2 3.86Å; F67-F69 HydrophobicContact CE1-CD2 3.86Å; F67-F69 AromaticContact CE1-CE1 3.86Å; F67-F69 HydrophobicContact CE1-CE1 3.86Å; F67-F69 AromaticContact CE1-CE2 3.87Å; F67-F69 HydrophobicContact CE1-CE2 3.87Å; F67-F69 AromaticContact CE1-CG 3.89Å; F67-F69 HydrophobicContact CE1-CG 3.89Å; F67-F69 AromaticContact CE1-CZ 3.86Å; F67-F69 HydrophobicContact CE1-CZ 3.86Å; F69-K76 PolarHBondContact O-NZ 3.02Å; F69-D84 WeakPolarHBondContact CB-OD1 3.4Å; F69-D84 HydrophobicContact CD2-CB 4.49Å; F69-D84 WeakPolarHBondContact CD2-OD1 3.36Å; F69-D84 PolarHBondContact N-OD1 3.27Å; F69-L87 HydrophobicContact CE2-CD1 3.68Å; F69-L87 HydrophobicContact CE2-CG 3.97Å; F69-L87 HydrophobicContact CZ-CD1 3.85Å; F69-L87 HydrophobicContact CZ-CG 4.3Å
70E86.9Confident89.8Confident197 Ų19774.7 Ų74.792%0.92138%0.376SS*.  trans-60.4153.1158.5-65.2-170.1166.700110.4
71Y83.4Confident89.4Confident110 Ų11072.8 Ų72.843%0.43137%0.365SS..  trans-146.4161.6-174.971.8-77.1000111.7A75 K76Y71-A75 VanDerWaalsContact CE2-C 3.42Å; Y71-K76 HydrophobicContact CD1-CD 4.09Å; Y71-K76 HydrophobicContact CD1-CG 3.86Å; Y71-K76 HydrophobicContact CD2-CG 3.68Å; Y71-K76 HydrophobicContact CE1-CD 4.35Å; Y71-K76 HydrophobicContact CE1-CG 3.96Å; Y71-K76 HydrophobicContact CE2-CG 3.8Å; Y71-K76 HydrophobicContact CG-CD 4.24Å; Y71-K76 HydrophobicContact CG-CG 3.7Å
72I79.6Confident89.1Confident124 Ų12474.1 Ų74.164%0.63637%0.374SS*.SBendtrans-105.9135.4-179.9-55.2176.1000109.2M553I72-M553 HydrophobicContact CG2-CE 3.82Å; I72-M553 HydrophobicContact CG2-CG 4.47Å; I72-M553 HydrophobicContact CG2-SD 3.91Å
73G83.3Confident88.8Confident44 Ų4471 Ų7145%0.45436%0.36SS..SBendtrans111.4-176.1-175.900000112.6
74D84.4Confident88.5Confident108 Ų10869.7 Ų69.758%0.57835%0.348SS*.SBendtrans-94.8-11-179.960.4-17.8000113.7K483D74-K483 VanDerWaalsContact OD1-CE 3.27Å; D74-K483 WeakPolarHBondContact OD1-CE 3.28Å; D74-K483 IonicContact OD1-NZ 3.11Å; D74-K483 PolarHBondContact OD1-NZ 2.7Å; D74-K483 IonicContact OD2-NZ 2.73Å; D74-K483 PolarHBondContact OD2-NZ 3.06Å
75A88Confident88.4Confident13 Ų1373.9 Ų73.911%0.10737%0.367CS..  trans-149.1157.817600000113.6Y71 K483 K556 F557Y71-A75 VanDerWaalsContact CE2-C 3.42Å; A75-K483 HydrophobicContact CB-CB 3.93Å; A75-K483 HydrophobicContact CB-CD 4.45Å; A75-K483 HydrophobicContact CB-CG 4.15Å; A75-K556 WeakPolarHBondContact O-CE 3.47Å; A75-K556 PolarHBondContact O-NZ 3.33Å; A75-F557 HydrophobicContact CB-CE1 4.33Å; A75-F557 HydrophobicContact CB-CZ 3.73Å
76K88.6Confident88.5Confident26 Ų2673.4 Ų73.411%0.11336%0.361CS..  trans-97133.2166.1-66.3-168.5-177.7-169.70110.4F69 Y71 E80 R81 D84F69-K76 PolarHBondContact O-NZ 3.02Å; Y71-K76 HydrophobicContact CD1-CD 4.09Å; Y71-K76 HydrophobicContact CD1-CG 3.86Å; Y71-K76 HydrophobicContact CD2-CG 3.68Å; Y71-K76 HydrophobicContact CE1-CD 4.35Å; Y71-K76 HydrophobicContact CE1-CG 3.96Å; Y71-K76 HydrophobicContact CE2-CG 3.8Å; Y71-K76 HydrophobicContact CG-CD 4.24Å; Y71-K76 HydrophobicContact CG-CG 3.7Å; K76-E80 HydrophobicContact CB-CB 4.03Å; K76-E80 HydrophobicContact CG-CB 4.39Å; K76-R81 HydrophobicContact CB-CG 3.75Å; K76-R81 HydrophobicContact CD-CG 4.15Å; K76-R81 PolarHBondContact O-NE 3.25Å; K76-R81 PolarHBondContact O-NH2 3.28Å; K76-D84 IonicContact NZ-OD1 3.32Å; K76-D84 PolarHBondContact NZ-OD1 3.21Å; K76-D84 VanDerWaalsContact NZ-OD1 3.14Å; K76-D84 IonicContact NZ-OD2 3.05Å; K76-D84 PolarHBondContact NZ-OD2 3.08Å
77T89Confident88.6Confident3 Ų369 Ų692%0.01834%0.341CS..  trans-63169.1164.960.10000111.5E80 R81 K556 F557 I560T77-E80 VanDerWaalsContact CB-OE2 3.32Å; T77-E80 WeakPolarHBondContact CB-OE2 3.36Å; T77-E80 VanDerWaalsContact CG2-OE2 3.31Å; T77-E80 WeakPolarHBondContact CG2-OE2 3.49Å; T77-E80 PolarHBondContact N-OE2 3.03Å; T77-E80 PolarHBondContact O-N 2.9Å; T77-E80 WeakPolarHBondContact OG1-CB 3.44Å; T77-E80 VanDerWaalsContact OG1-CD 3.29Å; T77-E80 VanDerWaalsContact OG1-CG 3.24Å; T77-E80 WeakPolarHBondContact OG1-CG 3.47Å; T77-E80 PolarHBondContact OG1-N 3.26Å; T77-E80 PolarHBondContact OG1-OE2 3.08Å; T77-R81 PolarHBondContact O-N 3.19Å; T77-R81 PolarHBondContact O-NE 3.38Å; T77-K556 HydrophobicContact CG2-CB 4.19Å; T77-K556 HydrophobicContact CG2-CD 3.91Å; T77-K556 HydrophobicContact CG2-CG 3.76Å; T77-F557 HydrophobicContact CG2-CD1 4.11Å; T77-F557 HydrophobicContact CG2-CE1 3.69Å; T77-F557 HydrophobicContact CG2-CZ 4.31Å; T77-I560 HydrophobicContact CG2-CD1 3.46Å; T77-I560 VanDerWaalsContact CG2-CD1 3.46Å
78D88.6Confident88.8Confident58 Ų5867.2 Ų67.231%0.3133%0.334SS..Hα-helixtrans-66.3-38.7179.7-56.7-35.9000111.8R81 C82 R490D78-R81 PolarHBondContact O-N 2.94Å; D78-R81 IonicContact OD1-CZ 3.67Å; D78-R81 IonicContact OD1-NH1 2.73Å; D78-R81 PolarHBondContact OD1-NH1 3.03Å; D78-R81 IonicContact OD1-NH2 3.5Å; D78-R81 PolarHBondContact OD1-NH2 3.33Å; D78-C82 WeakPolarHBondContact O-CB 3.37Å; D78-C82 PolarHBondContact O-N 2.67Å; D78-R490 IonicContact OD1-NH1 3.96Å; D78-R490 IonicContact OD1-NH2 2.79Å; D78-R490 IonicContact OD2-CZ 2.66Å; D78-R490 IonicContact OD2-NH1 2.66Å; D78-R490 PolarHBondContact OD2-NH1 3.49Å; D78-R490 IonicContact OD2-NH2 3.44Å; D78-R490 PolarHBondContact OD2-NH2 3.21Å
79D89.7Confident89.2Confident17 Ų1763.2 Ų63.29%0.09132%0.315CS..Hα-helixtrans-64.2-45174.5-68.9-42.7000111.8R81 C82 I83 N231 T235 R238D79-R81 VanDerWaalsContact C-N 3.27Å; D79-R81 PolarHBondContact O-N 3.32Å; D79-C82 PolarHBondContact O-N 2.73Å; D79-I83 VanDerWaalsContact O-CG1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.4Å; D79-I83 PolarHBondContact O-N 3.41Å; D79-N231 HydrophobicContact CB-CB 4.18Å; D79-N231 VanDerWaalsContact OD1-CB 3.25Å; D79-N231 WeakPolarHBondContact OD1-CB 3.24Å; D79-N231 PolarHBondContact OD1-OD1 3.03Å; D79-T235 WeakPolarHBondContact CB-OG1 3.09Å; D79-R238 IonicContact OD2-CZ 3.14Å; D79-R238 IonicContact OD2-NH1 3.42Å; D79-R238 PolarHBondContact OD2-NH1 2.94Å; D79-R238 IonicContact OD2-NH2 3.52Å; D79-R238 PolarHBondContact OD2-NH2 2.83Å
80E89Confident89.7Confident45 Ų4562.5 Ų62.521%0.2131%0.312CS..Hα-helixtrans-60.4-35.6175.4-75.4166.3128.700112.1K76 T77 D84 K556K76-E80 HydrophobicContact CB-CB 4.03Å; K76-E80 HydrophobicContact CG-CB 4.39Å; T77-E80 VanDerWaalsContact CB-OE2 3.32Å; T77-E80 WeakPolarHBondContact CB-OE2 3.36Å; T77-E80 VanDerWaalsContact CG2-OE2 3.31Å; T77-E80 WeakPolarHBondContact CG2-OE2 3.49Å; T77-E80 PolarHBondContact N-OE2 3.03Å; T77-E80 PolarHBondContact O-N 2.9Å; T77-E80 WeakPolarHBondContact OG1-CB 3.44Å; T77-E80 VanDerWaalsContact OG1-CD 3.29Å; T77-E80 VanDerWaalsContact OG1-CG 3.24Å; T77-E80 WeakPolarHBondContact OG1-CG 3.47Å; T77-E80 PolarHBondContact OG1-N 3.26Å; T77-E80 PolarHBondContact OG1-OE2 3.08Å; E80-D84 VanDerWaalsContact O-CB 3.32Å; E80-D84 WeakPolarHBondContact O-CB 3.1Å; E80-D84 PolarHBondContact O-N 3.36Å; E80-K556 VanDerWaalsContact CD-NZ 3.27Å; E80-K556 IonicContact OE1-NZ 2.72Å; E80-K556 PolarHBondContact OE1-NZ 3.29Å; E80-K556 WeakPolarHBondContact OE2-CE 3.26Å; E80-K556 IonicContact OE2-NZ 3.82Å; E80-K556 PolarHBondContact OE2-NZ 3.37Å
81R89.9Confident90.2Very high86 Ų8653.1 Ų53.133%0.32527%0.269SS..Hα-helixtrans-70.9-42.3174.2-79.8178.4-94.7111.51.1112.4K76 T77 D78 D79 I83 D84 E85K76-R81 HydrophobicContact CB-CG 3.75Å; K76-R81 HydrophobicContact CD-CG 4.15Å; K76-R81 PolarHBondContact O-NE 3.25Å; K76-R81 PolarHBondContact O-NH2 3.28Å; T77-R81 PolarHBondContact O-N 3.19Å; T77-R81 PolarHBondContact O-NE 3.38Å; D78-R81 PolarHBondContact O-N 2.94Å; D78-R81 IonicContact OD1-CZ 3.67Å; D78-R81 IonicContact OD1-NH1 2.73Å; D78-R81 PolarHBondContact OD1-NH1 3.03Å; D78-R81 IonicContact OD1-NH2 3.5Å; D78-R81 PolarHBondContact OD1-NH2 3.33Å; D79-R81 VanDerWaalsContact C-N 3.27Å; D79-R81 PolarHBondContact O-N 3.32Å; R81-I83 VanDerWaalsContact C-N 3.29Å; R81-I83 PolarHBondContact O-N 3Å; R81-D84 WeakPolarHBondContact O-CB 3.28Å; R81-D84 PolarHBondContact O-N 3.38Å; R81-E85 WeakPolarHBondContact O-CG 3.23Å; R81-E85 PolarHBondContact O-N 3.33Å
82C91.5Very high90.8Very high27 Ų2750.2 Ų50.218%0.18226%0.26CS..Hα-helixtrans-62.9-35.4175.9-174.90000112.7D78 D79 S86 N231D78-C82 WeakPolarHBondContact O-CB 3.37Å; D78-C82 PolarHBondContact O-N 2.67Å; D79-C82 PolarHBondContact O-N 2.73Å; C82-S86 PolarHBondContact O-N 3.07Å; C82-N231 PolarHBondContact SG-ND2 3.38Å
83I91.6Very high91.7Very high34 Ų3446.3 Ų46.317%0.17424%0.239CC..Hα-helixtrans-71.3-41.9174.3-67.6165.4000111D79 R81 E85 S86 L228 I232 T235D79-I83 VanDerWaalsContact O-CG1 3.29Å; D79-I83 WeakPolarHBondContact O-CG1 3.4Å; D79-I83 PolarHBondContact O-N 3.41Å; R81-I83 VanDerWaalsContact C-N 3.29Å; R81-I83 PolarHBondContact O-N 3Å; I83-E85 PolarHBondContact O-N 3.4Å; I83-S86 VanDerWaalsContact O-CB 3.31Å; I83-S86 WeakPolarHBondContact O-CB 3.01Å; I83-S86 PolarHBondContact O-N 2.98Å; I83-S86 VanDerWaalsContact O-N 3.12Å; I83-S86 PolarHBondContact O-OG 2.66Å; I83-L228 HydrophobicContact CG1-CD1 4.09Å; I83-I232 HydrophobicContact CD1-CG1 4.04Å; I83-I232 HydrophobicContact CG1-CG1 3.98Å; I83-T235 HydrophobicContact CD1-CG2 4.09Å; I83-T235 WeakPolarHBondContact CD1-OG1 3.04Å
84D89.4Confident92.4Very high40 Ų4045.6 Ų45.621%0.21422%0.224CC..Hα-helixtrans-58.8-45.6176.3-167.342.6000112F69 K76 E80 R81 S86F69-D84 WeakPolarHBondContact CB-OD1 3.4Å; F69-D84 HydrophobicContact CD2-CB 4.49Å; F69-D84 WeakPolarHBondContact CD2-OD1 3.36Å; F69-D84 PolarHBondContact N-OD1 3.27Å; K76-D84 IonicContact NZ-OD1 3.32Å; K76-D84 PolarHBondContact NZ-OD1 3.21Å; K76-D84 VanDerWaalsContact NZ-OD1 3.14Å; K76-D84 IonicContact NZ-OD2 3.05Å; K76-D84 PolarHBondContact NZ-OD2 3.08Å; E80-D84 VanDerWaalsContact O-CB 3.32Å; E80-D84 WeakPolarHBondContact O-CB 3.1Å; E80-D84 PolarHBondContact O-N 3.36Å; R81-D84 WeakPolarHBondContact O-CB 3.28Å; R81-D84 PolarHBondContact O-N 3.38Å; D84-S86 VanDerWaalsContact C-N 3.25Å; D84-S86 PolarHBondContact O-N 3.1Å
85E92Very high93Very high121 Ų12143.4 Ų43.457%0.56521%0.21SC*.THydrogen-bonded Turntrans-71.9-14.1177.1-67.5171.7177.100113.4R81 I83 L87 Q88 E89R81-E85 WeakPolarHBondContact O-CG 3.23Å; R81-E85 PolarHBondContact O-N 3.33Å; I83-E85 PolarHBondContact O-N 3.4Å; E85-L87 PolarHBondContact O-N 3.33Å; E85-Q88 WeakPolarHBondContact O-CB 3.49Å; E85-Q88 PolarHBondContact O-N 2.62Å; E85-Q88 VanDerWaalsContact O-N 3.12Å; E85-E89 PolarHBondContact O-N 3.17Å
86S95.9Very high93.5Very high7 Ų746.5 Ų46.55%0.04923%0.225CC..Hα-helixtrans-66.1-33.8-170.271.10000115C82 I83 D84 Q88 E89 F90 Y224C82-S86 PolarHBondContact O-N 3.07Å; I83-S86 VanDerWaalsContact O-CB 3.31Å; I83-S86 WeakPolarHBondContact O-CB 3.01Å; I83-S86 PolarHBondContact O-N 2.98Å; I83-S86 VanDerWaalsContact O-N 3.12Å; I83-S86 PolarHBondContact O-OG 2.66Å; D84-S86 VanDerWaalsContact C-N 3.25Å; D84-S86 PolarHBondContact O-N 3.1Å; S86-Q88 VanDerWaalsContact C-N 3.29Å; S86-Q88 PolarHBondContact O-N 3.31Å; S86-E89 PolarHBondContact O-N 2.96Å; S86-F90 WeakPolarHBondContact O-CD2 3.29Å; S86-F90 WeakPolarHBondContact O-CG 3.24Å; S86-F90 PolarHBondContact O-N 3.11Å; S86-Y224 WeakPolarHBondContact CA-OH 3.44Å; S86-Y224 WeakPolarHBondContact CB-OH 3.39Å
87L95.1Very high93.9Very high34 Ų3446.6 Ų46.618%0.17823%0.226CC..Hα-helixtrans-69-31.4176.7-55.9-174.2000111.6L64 F67 F69 E85 F90 S91L64-L87 HydrophobicContact CD2-CD2 4.42Å; L64-L87 WeakPolarHBondContact O-CB 3.44Å; F67-L87 HydrophobicContact CB-CD1 3.94Å; F67-L87 HydrophobicContact CD1-CD1 3.55Å; F67-L87 HydrophobicContact CE1-CD1 4.34Å; F67-L87 HydrophobicContact CG-CD1 3.93Å; F69-L87 HydrophobicContact CE2-CD1 3.68Å; F69-L87 HydrophobicContact CE2-CG 3.97Å; F69-L87 HydrophobicContact CZ-CD1 3.85Å; F69-L87 HydrophobicContact CZ-CG 4.3Å; E85-L87 PolarHBondContact O-N 3.33Å; L87-F90 HydrophobicContact CD2-CD2 4.04Å; L87-F90 HydrophobicContact CD2-CE2 4.39Å; L87-S91 VanDerWaalsContact O-CB 3.23Å; L87-S91 WeakPolarHBondContact O-CB 3.47Å; L87-S91 PolarHBondContact O-N 3.21Å
88Q94.8Very high94.3Very high73 Ų7346.5 Ų46.534%0.34123%0.225SC..Hα-helixtrans-67-37.7171.8-179.35860.700111.7G65 E85 S86 S91 N92G65-Q88 PolarHBondContact O-OE1 3.31Å; E85-Q88 WeakPolarHBondContact O-CB 3.49Å; E85-Q88 PolarHBondContact O-N 2.62Å; E85-Q88 VanDerWaalsContact O-N 3.12Å; S86-Q88 VanDerWaalsContact C-N 3.29Å; S86-Q88 PolarHBondContact O-N 3.31Å; Q88-S91 PolarHBondContact NE2-OG 3.41Å; Q88-S91 CarbonylContact O-C 3.56Å; Q88-S91 WeakPolarHBondContact O-CA 3.38Å; Q88-S91 WeakPolarHBondContact O-CB 3.38Å; Q88-S91 PolarHBondContact O-N 2.86Å; Q88-S91 PolarHBondContact O-OG 2.89Å; Q88-S91 VanDerWaalsContact O-OG 3.07Å; Q88-N92 PolarHBondContact NE2-OD1 3.32Å; Q88-N92 PolarHBondContact O-N 3.25Å; Q88-N92 PolarHBondContact O-ND2 3.35Å; Q88-N92 PolarHBondContact O-OD1 3.35Å
89E96.1Very high94.8Very high76 Ų7647.3 Ų47.336%0.35523%0.23SC..Hα-helixtrans-73.2-37.8176.3-69.8-50.9138.400113.6E85 S86 S91 N92 F93 Y224E85-E89 PolarHBondContact O-N 3.17Å; S86-E89 PolarHBondContact O-N 2.96Å; E89-S91 VanDerWaalsContact C-N 3.25Å; E89-S91 PolarHBondContact O-N 3.37Å; E89-N92 PolarHBondContact O-N 2.95Å; E89-N92 PolarHBondContact OE1-ND2 2.91Å; E89-N92 PolarHBondContact OE2-ND2 2.91Å; E89-F93 PolarHBondContact O-N 2.97Å; E89-Y224 HydrophobicContact CB-CE1 3.98Å; E89-Y224 HydrophobicContact CG-CE2 4.38Å
90F97Very high95.2Very high70 Ų7049.1 Ų49.131%0.30724%0.238SC..Hα-helixtrans-60.7-38.6167.4-62.7-51.8000111.5L64 S86 L87 F93 L94 F221 L228L64-F90 HydrophobicContact CD1-CB 4.27Å; S86-F90 WeakPolarHBondContact O-CD2 3.29Å; S86-F90 WeakPolarHBondContact O-CG 3.24Å; S86-F90 PolarHBondContact O-N 3.11Å; L87-F90 HydrophobicContact CD2-CD2 4.04Å; L87-F90 HydrophobicContact CD2-CE2 4.39Å; F90-F93 PolarHBondContact O-N 3.25Å; F90-L94 WeakPolarHBondContact O-CG 3.41Å; F90-L94 PolarHBondContact O-N 3.41Å; F90-F221 AromaticContact CD1-CE1 3.92Å; F90-F221 HydrophobicContact CD1-CE1 3.92Å; F90-F221 AromaticContact CD1-CZ 3.52Å; F90-F221 HydrophobicContact CD1-CZ 3.52Å; F90-F221 AromaticContact CE1-CE1 3.8Å; F90-F221 HydrophobicContact CE1-CE1 3.8Å; F90-F221 AromaticContact CE1-CZ 3.67Å; F90-F221 HydrophobicContact CE1-CZ 3.67Å; F90-L228 HydrophobicContact CE1-CD2 4.41Å; F90-L228 HydrophobicContact CE2-CD2 4.04Å; F90-L228 HydrophobicContact CZ-CD2 3.54Å
91S97.5Very high95.6Very high0 Ų048.7 Ų48.70%023%0.234CC..Hα-helixtrans-56.7-47.11711320000112.1A61 L87 Q88 E89 K95A61-S91 WeakPolarHBondContact O-CB 3.29Å; A61-S91 PolarHBondContact O-OG 2.94Å; L87-S91 VanDerWaalsContact O-CB 3.23Å; L87-S91 WeakPolarHBondContact O-CB 3.47Å; L87-S91 PolarHBondContact O-N 3.21Å; Q88-S91 PolarHBondContact NE2-OG 3.41Å; Q88-S91 CarbonylContact O-C 3.56Å; Q88-S91 WeakPolarHBondContact O-CA 3.38Å; Q88-S91 WeakPolarHBondContact O-CB 3.38Å; Q88-S91 PolarHBondContact O-N 2.86Å; Q88-S91 PolarHBondContact O-OG 2.89Å; Q88-S91 VanDerWaalsContact O-OG 3.07Å; E89-S91 VanDerWaalsContact C-N 3.25Å; E89-S91 PolarHBondContact O-N 3.37Å; S91-K95 VanDerWaalsContact O-CD 3.32Å; S91-K95 WeakPolarHBondContact O-CD 3.42Å; S91-K95 VanDerWaalsContact O-CG 3.28Å; S91-K95 WeakPolarHBondContact O-CG 3.46Å; S91-K95 PolarHBondContact O-N 3.49Å; S91-K95 VanDerWaalsContact O-N 3.08Å; S91-K95 PolarHBondContact OG-NZ 2.86Å
92N96.8Very high95.9Very high48 Ų4848.3 Ų48.326%0.25724%0.236SC..Hα-helixtrans-64.5-47.4-179.7-64.9-20.8000111Q88 E89 L94 K95 N96Q88-N92 PolarHBondContact NE2-OD1 3.32Å; Q88-N92 PolarHBondContact O-N 3.25Å; Q88-N92 PolarHBondContact O-ND2 3.35Å; Q88-N92 PolarHBondContact O-OD1 3.35Å; E89-N92 PolarHBondContact O-N 2.95Å; E89-N92 PolarHBondContact OE1-ND2 2.91Å; E89-N92 PolarHBondContact OE2-ND2 2.91Å; N92-L94 PolarHBondContact O-N 3.49Å; N92-K95 PolarHBondContact O-N 3.4Å; N92-N96 PolarHBondContact O-N 3.27Å; N92-N96 PolarHBondContact O-ND2 3.29Å
93F97.6Very high96.1Very high43 Ų4349.9 Ų49.919%0.18924%0.242CC..Hα-helixtrans-56.3-49.4177.5174.7-94.8000112.1E89 F90 K95 N96 L97 L217 A218 F221E89-F93 PolarHBondContact O-N 2.97Å; F90-F93 PolarHBondContact O-N 3.25Å; F93-K95 PolarHBondContact O-N 3.26Å; F93-N96 PolarHBondContact O-N 2.89Å; F93-L97 PolarHBondContact O-N 2.87Å; F93-L217 HydrophobicContact CE2-CB 4.1Å; F93-A218 HydrophobicContact CE2-CB 4.5Å; F93-A218 HydrophobicContact CZ-CB 4.34Å; F93-F221 HydrophobicContact CB-CD2 4.07Å; F93-F221 HydrophobicContact CB-CE2 4.04Å; F93-F221 HydrophobicContact CD2-CB 3.85Å; F93-F221 HydrophobicContact CD2-CD1 4.45Å; F93-F221 AromaticContact CD2-CD2 3.93Å; F93-F221 HydrophobicContact CD2-CD2 3.93Å; F93-F221 AromaticContact CD2-CG 3.82Å; F93-F221 HydrophobicContact CD2-CG 3.82Å; F93-F221 HydrophobicContact CE2-CB 4.01Å; F93-F221 HydrophobicContact CE2-CG 4.32Å; F93-F221 HydrophobicContact CG-CD2 4.23Å; F93-F221 HydrophobicContact CG-CG 4.32Å
94L97.9Very high96.4Very high28 Ų2849.3 Ų49.315%0.14724%0.239CC..Hα-helixtrans-64.3-39.7179.6-72.5172.5000112.4F60 A61 L64 F90 N92 L97 E98F60-L94 HydrophobicContact CD1-CD1 3.88Å; F60-L94 HydrophobicContact CE1-CD1 4.12Å; A61-L94 HydrophobicContact CB-CB 3.67Å; A61-L94 HydrophobicContact CB-CD1 4.12Å; L64-L94 HydrophobicContact CD1-CD1 3.92Å; F90-L94 WeakPolarHBondContact O-CG 3.41Å; F90-L94 PolarHBondContact O-N 3.41Å; N92-L94 PolarHBondContact O-N 3.49Å; L94-L97 PolarHBondContact O-N 3.37Å; L94-E98 WeakPolarHBondContact O-CG 3.46Å; L94-E98 PolarHBondContact O-N 2.74Å; L94-E98 VanDerWaalsContact O-N 3.11Å
95K97.6Very high96.8Very high62 Ų6248 Ų4827%0.2723%0.232SC..Hα-helixtrans-61.6-47.8175.8-73.6159.9-172156.30111A61 S91 N92 F93 L97 E98 D99A61-K95 HydrophobicContact CB-CG 4.03Å; A61-K95 VanDerWaalsContact O-CE 3.3Å; A61-K95 WeakPolarHBondContact O-CE 3.3Å; A61-K95 PolarHBondContact O-NZ 3.04Å; S91-K95 VanDerWaalsContact O-CD 3.32Å; S91-K95 WeakPolarHBondContact O-CD 3.42Å; S91-K95 VanDerWaalsContact O-CG 3.28Å; S91-K95 WeakPolarHBondContact O-CG 3.46Å; S91-K95 PolarHBondContact O-N 3.49Å; S91-K95 VanDerWaalsContact O-N 3.08Å; S91-K95 PolarHBondContact OG-NZ 2.86Å; N92-K95 PolarHBondContact O-N 3.4Å; F93-K95 PolarHBondContact O-N 3.26Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-L97 PolarHBondContact O-N 3.27Å; K95-E98 PolarHBondContact O-N 3.12Å; K95-D99 VanDerWaalsContact O-CG 3.29Å; K95-D99 PolarHBondContact O-N 3.08Å
96N97.6Very high97Very high79 Ų7949 Ų4942%0.42223%0.23SC..Hα-helixtrans-59.2-39.4177.2-66.6-15.5000112.7N92 F93 Q100 L217N92-N96 PolarHBondContact O-N 3.27Å; N92-N96 PolarHBondContact O-ND2 3.29Å; F93-N96 PolarHBondContact O-N 2.89Å; N96-Q100 WeakPolarHBondContact O-CG 3.46Å; N96-Q100 PolarHBondContact O-N 2.85Å; N96-L217 HydrophobicContact CB-CD2 4.42Å
97L97.9Very high97Very high28 Ų2851.4 Ų51.415%0.14724%0.243CC..Hα-helixtrans-66.1-42.5177.5-178.463.5000112.3F93 L94 K95 Q100 R101 F210F93-L97 PolarHBondContact O-N 2.87Å; L94-L97 PolarHBondContact O-N 3.37Å; K95-L97 VanDerWaalsContact C-N 3.32Å; K95-L97 PolarHBondContact O-N 3.27Å; L97-Q100 WeakPolarHBondContact O-CB 3.27Å; L97-Q100 PolarHBondContact O-N 2.98Å; L97-R101 PolarHBondContact O-N 3.19Å; L97-R101 VanDerWaalsContact O-N 3.13Å; L97-F210 HydrophobicContact CD1-CE2 4.41Å; L97-F210 HydrophobicContact CD1-CZ 4.37Å
98E97.7Very high97Very high0 Ų050.1 Ų50.10%024%0.236CC..Hα-helixtrans-73.6-27.9-179.4-64.3-49117.200113.2V54 Q57 R58 L94 K95 Q100 R101 E102V54-E98 WeakPolarHBondContact CA-OE2 3.37Å; V54-E98 HydrophobicContact CG1-CB 4.4Å; V54-E98 WeakPolarHBondContact CG2-OE2 3.31Å; Q57-E98 HydrophobicContact CB-CG 3.73Å; Q57-E98 VanDerWaalsContact CD-OE1 3.32Å; Q57-E98 PolarHBondContact NE2-OE1 3.19Å; Q57-E98 PolarHBondContact OE1-OE1 3.22Å; R58-E98 HydrophobicContact CG-CB 4.15Å; L94-E98 WeakPolarHBondContact O-CG 3.46Å; L94-E98 PolarHBondContact O-N 2.74Å; L94-E98 VanDerWaalsContact O-N 3.11Å; K95-E98 PolarHBondContact O-N 3.12Å; E98-Q100 VanDerWaalsContact C-N 3.27Å; E98-Q100 PolarHBondContact O-N 3.22Å; E98-R101 VanDerWaalsContact CD-NE 3.3Å; E98-R101 WeakPolarHBondContact O-CB 3.19Å; E98-R101 PolarHBondContact O-N 3.39Å; E98-R101 VanDerWaalsContact O-N 3.09Å; E98-R101 IonicContact OE1-CZ 2.64Å; E98-R101 IonicContact OE1-NE 2.75Å; E98-R101 PolarHBondContact OE1-NE 2.65Å; E98-R101 VanDerWaalsContact OE1-NE 3.11Å; E98-R101 IonicContact OE1-NH2 2.69Å; E98-R101 PolarHBondContact OE1-NH2 2.83Å; E98-R101 WeakPolarHBondContact OE2-CD 3.31Å; E98-R101 IonicContact OE2-CZ 2.64Å; E98-R101 IonicContact OE2-NE 3.83Å; E98-R101 PolarHBondContact OE2-NE 3.38Å; E98-R101 IonicContact OE2-NH2 2.71Å; E98-E102 PolarHBondContact O-N 2.56Å
99D97.8Very high97.1Very high75 Ų7549 Ų4940%0.40123%0.234SC..Hα-helixtrans-61.4-37.1169.6-68.6-3.5000111.4R58 K95 E102 L103R58-D99 IonicContact CZ-OD1 2.68Å; R58-D99 IonicContact NE-OD1 2.87Å; R58-D99 IonicContact NH2-OD1 3.49Å; R58-D99 PolarHBondContact NH2-OD1 3.24Å; K95-D99 VanDerWaalsContact O-CG 3.29Å; K95-D99 PolarHBondContact O-N 3.08Å; D99-E102 PolarHBondContact O-N 3.01Å; D99-L103 PolarHBondContact O-N 3.06Å
100Q97.9Very high97.1Very high56 Ų5649.8 Ų49.826%0.26224%0.238SC..Hα-helixtrans-70.4-32.8172.6-58.1-60.6-23.400112.1N96 L97 E98 L103 M104 F210 Q213 L217N96-Q100 WeakPolarHBondContact O-CG 3.46Å; N96-Q100 PolarHBondContact O-N 2.85Å; L97-Q100 WeakPolarHBondContact O-CB 3.27Å; L97-Q100 PolarHBondContact O-N 2.98Å; E98-Q100 VanDerWaalsContact C-N 3.27Å; E98-Q100 PolarHBondContact O-N 3.22Å; Q100-L103 WeakPolarHBondContact O-CB 3.48Å; Q100-L103 PolarHBondContact O-N 2.71Å; Q100-M104 PolarHBondContact O-N 2.91Å; Q100-F210 HydrophobicContact CB-CD2 4.08Å; Q100-F210 HydrophobicContact CB-CE2 4.15Å; Q100-Q213 HydrophobicContact CB-CG 4.42Å; Q100-Q213 HydrophobicContact CG-CG 3.73Å; Q100-L217 HydrophobicContact CG-CD1 4.16Å
101R97.7Very high97Very high36 Ų3648.6 Ų48.614%0.13624%0.237CC..Hα-helixtrans-68-35.8174.6-156.7-174.2-53.9-85.21.9111.8T50 V54 L97 E98 M104 M105 F210T50-R101 HydrophobicContact CG2-CG 3.7Å; V54-R101 HydrophobicContact CG2-CB 4.16Å; V54-R101 HydrophobicContact CG2-CG 4.25Å; L97-R101 PolarHBondContact O-N 3.19Å; L97-R101 VanDerWaalsContact O-N 3.13Å; E98-R101 VanDerWaalsContact CD-NE 3.3Å; E98-R101 WeakPolarHBondContact O-CB 3.19Å; E98-R101 PolarHBondContact O-N 3.39Å; E98-R101 VanDerWaalsContact O-N 3.09Å; E98-R101 IonicContact OE1-CZ 2.64Å; E98-R101 IonicContact OE1-NE 2.75Å; E98-R101 PolarHBondContact OE1-NE 2.65Å; E98-R101 VanDerWaalsContact OE1-NE 3.11Å; E98-R101 IonicContact OE1-NH2 2.69Å; E98-R101 PolarHBondContact OE1-NH2 2.83Å; E98-R101 WeakPolarHBondContact OE2-CD 3.31Å; E98-R101 IonicContact OE2-CZ 2.64Å; E98-R101 IonicContact OE2-NE 3.83Å; E98-R101 PolarHBondContact OE2-NE 3.38Å; E98-R101 IonicContact OE2-NH2 2.71Å; R101-M104 HydrophobicContact CG-CE 4.15Å; R101-M104 WeakPolarHBondContact O-CB 3.29Å; R101-M104 PolarHBondContact O-N 3.44Å; R101-M105 WeakPolarHBondContact O-CG 3.45Å; R101-M105 PolarHBondContact O-N 2.81Å; R101-F210 HydrophobicContact CB-CE2 3.77Å; R101-F210 HydrophobicContact CB-CZ 4.17Å; R101-F210 HydrophobicContact CG-CE2 4.14Å; R101-F210 HydrophobicContact CG-CZ 4.13Å
102E96.9Very high96.9Very high78 Ų7849.1 Ų49.136%0.36424%0.239SC..Hα-helixtrans-68.4-38.9171.2-73.6-166.2152.600113V54 R58 E98 D99 M104 M105 R106V54-E102 HydrophobicContact CG1-CG 4.02Å; V54-E102 HydrophobicContact CG2-CG 4.23Å; R58-E102 IonicContact CZ-OE1 3.7Å; R58-E102 IonicContact CZ-OE2 3.9Å; R58-E102 IonicContact NH1-OE1 3.72Å; R58-E102 PolarHBondContact NH1-OE1 2.95Å; R58-E102 IonicContact NH1-OE2 2.85Å; R58-E102 PolarHBondContact NH1-OE2 2.67Å; R58-E102 VanDerWaalsContact NH1-OE2 3.15Å; R58-E102 VanDerWaalsContact NH2-CD 3.27Å; R58-E102 IonicContact NH2-OE1 3.98Å; R58-E102 IonicContact NH2-OE2 3.2Å; R58-E102 PolarHBondContact NH2-OE2 3.06Å; E98-E102 PolarHBondContact O-N 2.56Å; D99-E102 PolarHBondContact O-N 3.01Å; E102-M104 VanDerWaalsContact C-N 3.34Å; E102-M105 HydrophobicContact CB-CE 4.44Å; E102-M105 HydrophobicContact CG-CE 3.89Å; E102-M105 PolarHBondContact O-N 3.47Å; E102-R106 WeakPolarHBondContact O-CB 3.26Å; E102-R106 PolarHBondContact O-N 3.5Å
103L96.6Very high96.8Very high59 Ų5947.3 Ų47.331%0.30923%0.229SC..Hα-helixtrans-59-45.9170.9177.260.5000111.1D99 Q100 R106 N107D99-L103 PolarHBondContact O-N 3.06Å; Q100-L103 WeakPolarHBondContact O-CB 3.48Å; Q100-L103 PolarHBondContact O-N 2.71Å; L103-R106 PolarHBondContact O-N 3.37Å; L103-N107 WeakPolarHBondContact O-CB 3.44Å; L103-N107 PolarHBondContact O-N 2.83Å; L103-N107 PolarHBondContact O-OD1 3.28Å
104M97.5Very high96.8Very high22 Ų2250.3 Ų50.311%0.10824%0.242CC..Hα-helixtrans-57.9-51175.2-172.3-163.464.800111.8T50 Q100 R101 E102 R106 N107 I108 T206 V207 F210T50-M104 HydrophobicContact CG2-CE 4.23Å; Q100-M104 PolarHBondContact O-N 2.91Å; R101-M104 HydrophobicContact CG-CE 4.15Å; R101-M104 WeakPolarHBondContact O-CB 3.29Å; R101-M104 PolarHBondContact O-N 3.44Å; E102-M104 VanDerWaalsContact C-N 3.34Å; M104-R106 VanDerWaalsContact C-N 3.34Å; M104-R106 PolarHBondContact O-N 3.13Å; M104-N107 PolarHBondContact O-N 2.92Å; M104-I108 HydrophobicContact CE-CD1 4.25Å; M104-I108 HydrophobicContact CG-CD1 3.87Å; M104-I108 VanDerWaalsContact O-CG1 3.28Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 2.81Å; M104-I108 HydrophobicContact SD-CD1 4.34Å; M104-T206 HydrophobicContact CG-CG2 3.97Å; M104-V207 HydrophobicContact SD-CG2 4.35Å; M104-F210 HydrophobicContact CB-CB 3.99Å; M104-F210 HydrophobicContact CB-CD2 4.22Å; M104-F210 HydrophobicContact CB-CG 4.2Å; M104-F210 HydrophobicContact CG-CB 3.81Å; M104-F210 HydrophobicContact CG-CG 4.22Å; M104-F210 HydrophobicContact SD-CB 3.59Å; M104-F210 VanDerWaalsContact SD-CB 3.59Å; M104-F210 HydrophobicContact SD-CD1 3.67Å; M104-F210 HydrophobicContact SD-CD2 4.34Å; M104-F210 HydrophobicContact SD-CG 3.58Å; M104-F210 VanDerWaalsContact SD-CG 3.58Å
105M96.6Very high96.7Very high13 Ų1351 Ų516%0.06425%0.248CC..Hα-helixtrans-60.2-40.5178.8-75.7-169.5-70.900113.3I47 T50 K51 V54 R101 E102 T109I47-M105 HydrophobicContact CG2-SD 4.4Å; T50-M105 VanDerWaalsContact CB-SD 3.52Å; T50-M105 HydrophobicContact CG2-CE 4.25Å; T50-M105 HydrophobicContact CG2-CG 3.64Å; T50-M105 HydrophobicContact CG2-SD 3.5Å; T50-M105 VanDerWaalsContact CG2-SD 3.5Å; K51-M105 HydrophobicContact CG-CE 4.02Å; K51-M105 HydrophobicContact CG-SD 3.69Å; V54-M105 HydrophobicContact CG2-CE 3.69Å; R101-M105 WeakPolarHBondContact O-CG 3.45Å; R101-M105 PolarHBondContact O-N 2.81Å; E102-M105 HydrophobicContact CB-CE 4.44Å; E102-M105 HydrophobicContact CG-CE 3.89Å; E102-M105 PolarHBondContact O-N 3.47Å; M105-T109 PolarHBondContact O-N 3.13Å; M105-T109 VanDerWaalsContact O-N 3.08Å; M105-T109 PolarHBondContact O-OG1 2.98Å
106R96.4Very high96.6Very high141 Ų14148 Ų4853%0.53224%0.236SC..Hα-helixtrans-64.5-47.6176172.4162.235.580.91.5110.5E102 L103 M104 I108 T109 E110E102-R106 WeakPolarHBondContact O-CB 3.26Å; E102-R106 PolarHBondContact O-N 3.5Å; L103-R106 PolarHBondContact O-N 3.37Å; M104-R106 VanDerWaalsContact C-N 3.34Å; M104-R106 PolarHBondContact O-N 3.13Å; R106-I108 PolarHBondContact O-N 3.21Å; R106-T109 WeakPolarHBondContact O-CB 3.47Å; R106-T109 PolarHBondContact O-N 3.3Å; R106-T109 VanDerWaalsContact O-N 3.08Å; R106-E110 PolarHBondContact O-N 3.16Å; R106-E110 VanDerWaalsContact O-N 3.11Å
107N96Very high96.5Very high59 Ų5946.7 Ų46.732%0.31623%0.227SC..Hα-helixtrans-60.5-45.8177.9-70.20.9000111.6L103 M104 T109 E110 T111 T206L103-N107 WeakPolarHBondContact O-CB 3.44Å; L103-N107 PolarHBondContact O-N 2.83Å; L103-N107 PolarHBondContact O-OD1 3.28Å; M104-N107 PolarHBondContact O-N 2.92Å; N107-T109 PolarHBondContact O-N 3.05Å; N107-E110 PolarHBondContact O-N 3.46Å; N107-T111 WeakPolarHBondContact O-CG2 3.46Å; N107-T111 PolarHBondContact O-N 2.99Å; N107-T111 PolarHBondContact O-OG1 2.86Å; N107-T206 HydrophobicContact CB-CG2 3.5Å
108I95.9Very high96.4Very high7 Ų751 Ų514%0.03624%0.244CC..Hα-helixtrans-56.6-38.3173.9-67.2165.5000111.6I47 M104 R106 E110 L112 M113 F203 T206 V207I47-I108 HydrophobicContact CD1-CG2 4.23Å; I47-I108 HydrophobicContact CG1-CG2 4.49Å; M104-I108 HydrophobicContact CE-CD1 4.25Å; M104-I108 HydrophobicContact CG-CD1 3.87Å; M104-I108 VanDerWaalsContact O-CG1 3.28Å; M104-I108 WeakPolarHBondContact O-CG1 3.28Å; M104-I108 PolarHBondContact O-N 2.81Å; M104-I108 HydrophobicContact SD-CD1 4.34Å; R106-I108 PolarHBondContact O-N 3.21Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 3.11Å; I108-L112 HydrophobicContact CG2-CB 4.29Å; I108-L112 HydrophobicContact CG2-CD2 4.27Å; I108-L112 WeakPolarHBondContact O-CB 3.27Å; I108-L112 PolarHBondContact O-N 3Å; I108-M113 PolarHBondContact O-N 3.36Å; I108-F203 HydrophobicContact CD1-CD2 4.14Å; I108-F203 HydrophobicContact CD1-CE2 3.91Å; I108-F203 HydrophobicContact CG1-CD2 3.87Å; I108-F203 HydrophobicContact CG1-CE2 4.17Å; I108-F203 HydrophobicContact CG2-CD2 3.92Å; I108-F203 HydrophobicContact CG2-CE2 4.22Å; I108-T206 HydrophobicContact CG1-CG2 3.9Å; I108-V207 HydrophobicContact CD1-CG2 4.32Å
109T96.6Very high96.3Very high49 Ų4951.3 Ų51.330%0.30125%0.246SC..Iπ-helixtrans-64.2-39.3177.3-55.40000111.8M105 R106 N107 M113 K114M105-T109 PolarHBondContact O-N 3.13Å; M105-T109 VanDerWaalsContact O-N 3.08Å; M105-T109 PolarHBondContact O-OG1 2.98Å; R106-T109 WeakPolarHBondContact O-CB 3.47Å; R106-T109 PolarHBondContact O-N 3.3Å; R106-T109 VanDerWaalsContact O-N 3.08Å; N107-T109 PolarHBondContact O-N 3.05Å; T109-M113 WeakPolarHBondContact O-CB 3.49Å; T109-K114 PolarHBondContact O-N 2.68Å
110E95.9Very high96.2Very high93 Ų9351.6 Ų51.644%0.43524%0.241SC..Iπ-helixtrans-77.8-41.1178.5-60.7-55.5133.800113.3R106 N107 I108 K114 P115R106-E110 PolarHBondContact O-N 3.16Å; R106-E110 VanDerWaalsContact O-N 3.11Å; N107-E110 PolarHBondContact O-N 3.46Å; I108-E110 VanDerWaalsContact C-N 3.34Å; I108-E110 PolarHBondContact O-N 3.11Å; E110-K114 VanDerWaalsContact OE1-CE 3.26Å; E110-K114 WeakPolarHBondContact OE1-CE 3.33Å; E110-K114 IonicContact OE1-NZ 3.14Å; E110-K114 PolarHBondContact OE1-NZ 3.16Å; E110-K114 WeakPolarHBondContact OE2-CD 3.24Å; E110-K114 WeakPolarHBondContact OE2-CE 3.43Å; E110-K114 IonicContact OE2-NZ 2.85Å; E110-K114 PolarHBondContact OE2-NZ 3.05Å; E110-P115 VanDerWaalsContact O-CD 3.3Å; E110-P115 WeakPolarHBondContact O-CD 3.33Å
111T94.3Very high96.1Very high45 Ų4555.3 Ų55.328%0.27626%0.257SS..Iπ-helixtrans-92.8-27.4-170.761.30000114.6N107 P115 P199 A202N107-T111 WeakPolarHBondContact O-CG2 3.46Å; N107-T111 PolarHBondContact O-N 2.99Å; N107-T111 PolarHBondContact O-OG1 2.86Å; T111-P115 WeakPolarHBondContact O-CG 3.35Å; T111-P199 WeakPolarHBondContact O-CA 3.42Å; T111-P199 WeakPolarHBondContact O-CB 3.33Å; T111-A202 HydrophobicContact CG2-CB 4.38Å
112L95.3Very high95.9Very high11 Ų1158.4 Ų58.46%0.05827%0.272CS..Iπ-helixtrans-107.4-56.3178.6-177.268.2000111.7I108 L116 P199 M200 F203I108-L112 HydrophobicContact CG2-CB 4.29Å; I108-L112 HydrophobicContact CG2-CD2 4.27Å; I108-L112 WeakPolarHBondContact O-CB 3.27Å; I108-L112 PolarHBondContact O-N 3Å; L112-L116 HydrophobicContact CD1-CD1 3.7Å; L112-L116 HydrophobicContact CD1-CG 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.96Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.36Å; L112-L116 PolarHBondContact O-N 3.21Å; L112-P199 HydrophobicContact CD1-CB 4.01Å; L112-P199 WeakPolarHBondContact CD1-O 3.45Å; L112-M200 HydrophobicContact CD1-CE 3.65Å; L112-M200 HydrophobicContact CD1-SD 3.72Å; L112-F203 HydrophobicContact CB-CB 4.25Å; L112-F203 HydrophobicContact CD1-CB 4.22Å; L112-F203 HydrophobicContact CD2-CB 4.14Å; L112-F203 HydrophobicContact CD2-CD2 3.7Å; L112-F203 HydrophobicContact CD2-CE2 4.36Å; L112-F203 HydrophobicContact CD2-CG 4.01Å; L112-F203 HydrophobicContact CG-CB 4.44Å
113M96.1Very high95.8Very high9 Ų955.7 Ų55.74%0.04426%0.26CS..Iπ-helixtrans-70.6-45.5-165.3-53.3-58.8-64.700112.3Y40 K44 I47 I108 T109 E117Y40-M113 HydrophobicContact CD2-CE 3.69Å; Y40-M113 HydrophobicContact CE2-CB 4.32Å; Y40-M113 HydrophobicContact CE2-CE 4.01Å; Y40-M113 WeakPolarHBondContact CE2-O 3.32Å; Y40-M113 HydrophobicContact CG-CE 4Å; Y40-M113 WeakPolarHBondContact O-CE 2.93Å; K44-M113 HydrophobicContact CG-CE 3.75Å; I47-M113 HydrophobicContact CD1-CG 3.86Å; I47-M113 HydrophobicContact CD1-SD 4.25Å; I108-M113 PolarHBondContact O-N 3.36Å; T109-M113 WeakPolarHBondContact O-CB 3.49Å; M113-E117 WeakPolarHBondContact O-CB 3.38Å; M113-E117 PolarHBondContact O-N 3.36Å; M113-E117 VanDerWaalsContact O-N 3.16Å
114K96.4Very high95.7Very high106 Ų10653.2 Ų53.246%0.46125%0.247SC..Hα-helixtrans-66.3-47.8178.6-74.2-179.3-172.6176.30113T109 E110 L116 E117 K118T109-K114 PolarHBondContact O-N 2.68Å; E110-K114 VanDerWaalsContact OE1-CE 3.26Å; E110-K114 WeakPolarHBondContact OE1-CE 3.33Å; E110-K114 IonicContact OE1-NZ 3.14Å; E110-K114 PolarHBondContact OE1-NZ 3.16Å; E110-K114 WeakPolarHBondContact OE2-CD 3.24Å; E110-K114 WeakPolarHBondContact OE2-CE 3.43Å; E110-K114 IonicContact OE2-NZ 2.85Å; E110-K114 PolarHBondContact OE2-NZ 3.05Å; K114-L116 PolarHBondContact O-N 3.41Å; K114-E117 PolarHBondContact O-N 3.43Å; K114-K118 VanDerWaalsContact O-CB 3.32Å; K114-K118 WeakPolarHBondContact O-CB 3.49Å; K114-K118 PolarHBondContact O-N 2.85Å
115P96.7Very high95.5Very high42 Ų4253.6 Ų53.627%0.27326%0.257SS..Hα-helixtrans-60.5-42.8178-30.539.8000114E110 T111 E117 K118 F119 P199E110-P115 VanDerWaalsContact O-CD 3.3Å; E110-P115 WeakPolarHBondContact O-CD 3.33Å; T111-P115 WeakPolarHBondContact O-CG 3.35Å; P115-E117 PolarHBondContact O-N 3.42Å; P115-K118 WeakPolarHBondContact O-CB 3.3Å; P115-K118 PolarHBondContact O-N 3.31Å; P115-F119 PolarHBondContact O-N 2.88Å; P115-P199 HydrophobicContact CB-CB 4.22Å; P115-P199 HydrophobicContact CB-CG 3.63Å; P115-P199 HydrophobicContact CG-CG 4.42Å
116L95.4Very high95.3Very high1 Ų154.5 Ų54.51%0.00526%0.264CS..Hα-helixtrans-62.5-42176.1-71.6176.3000112.5I36 L112 K114 K118 R120 M200I36-L116 HydrophobicContact CG2-CB 4.06Å; I36-L116 HydrophobicContact CG2-CD2 4.32Å; L112-L116 HydrophobicContact CD1-CD1 3.7Å; L112-L116 HydrophobicContact CD1-CG 4.37Å; L112-L116 HydrophobicContact CG-CD1 3.96Å; L112-L116 WeakPolarHBondContact O-CB 3.47Å; L112-L116 VanDerWaalsContact O-CG 3.29Å; L112-L116 WeakPolarHBondContact O-CG 3.36Å; L112-L116 PolarHBondContact O-N 3.21Å; K114-L116 PolarHBondContact O-N 3.41Å; L116-K118 VanDerWaalsContact C-N 3.35Å; L116-R120 VanDerWaalsContact O-CB 3.27Å; L116-R120 WeakPolarHBondContact O-CB 3.42Å; L116-R120 PolarHBondContact O-N 3.18Å; L116-R120 VanDerWaalsContact O-N 3.11Å; L116-M200 HydrophobicContact CD1-CE 3.78Å; L116-M200 HydrophobicContact CD2-CE 3.76Å; L116-M200 HydrophobicContact CG-CE 4.23Å
117E95.6Very high95.2Very high51 Ų5148.2 Ų48.224%0.23824%0.242CC..Hα-helixtrans-67.5-36.5175.4-172.9168.1-171.900112Y40 M113 K114 P115 K121Y40-E117 HydrophobicContact CD2-CB 4.17Å; Y40-E117 HydrophobicContact CE2-CB 3.69Å; Y40-E117 HydrophobicContact CE2-CG 4.22Å; Y40-E117 VanDerWaalsContact CE2-OE2 3.3Å; Y40-E117 WeakPolarHBondContact CE2-OE2 3.4Å; Y40-E117 VanDerWaalsContact OH-CD 3.24Å; Y40-E117 PolarHBondContact OH-OE2 2.94Å; M113-E117 WeakPolarHBondContact O-CB 3.38Å; M113-E117 PolarHBondContact O-N 3.36Å; M113-E117 VanDerWaalsContact O-N 3.16Å; K114-E117 PolarHBondContact O-N 3.43Å; P115-E117 PolarHBondContact O-N 3.42Å; E117-K121 HydrophobicContact CG-CD 4.07Å; E117-K121 WeakPolarHBondContact O-CB 3.43Å; E117-K121 VanDerWaalsContact O-CG 3.3Å; E117-K121 WeakPolarHBondContact O-CG 3.35Å; E117-K121 PolarHBondContact O-N 3.14Å; E117-K121 WeakPolarHBondContact OE1-CE 3.37Å; E117-K121 IonicContact OE1-NZ 3.77Å; E117-K121 PolarHBondContact OE1-NZ 3.26Å
118K95.6Very high95.2Very high118 Ų11849.1 Ų49.151%0.51324%0.243SC..Hα-helixtrans-63-56.7175.2-171.2-176.3175.3-178.20111.3K114 P115 L116 R120 K121 E122K114-K118 VanDerWaalsContact O-CB 3.32Å; K114-K118 WeakPolarHBondContact O-CB 3.49Å; K114-K118 PolarHBondContact O-N 2.85Å; P115-K118 WeakPolarHBondContact O-CB 3.3Å; P115-K118 PolarHBondContact O-N 3.31Å; L116-K118 VanDerWaalsContact C-N 3.35Å; K118-R120 VanDerWaalsContact C-N 3.28Å; K118-R120 PolarHBondContact O-N 3.49Å; K118-K121 PolarHBondContact O-N 3.28Å; K118-E122 WeakPolarHBondContact CE-OE1 3.3Å; K118-E122 WeakPolarHBondContact CE-OE2 3.13Å; K118-E122 VanDerWaalsContact CG-CD 3.44Å; K118-E122 HydrophobicContact CG-CG 4.29Å; K118-E122 VanDerWaalsContact CG-OE1 3.27Å; K118-E122 WeakPolarHBondContact CG-OE1 3.17Å; K118-E122 IonicContact NZ-OE2 3.57Å; K118-E122 WeakPolarHBondContact O-CB 3.42Å; K118-E122 PolarHBondContact O-N 3.39Å
119F96.3Very high95.1Very high7 Ų751.1 Ų51.13%0.03126%0.261CS..Hα-helixtrans-55.4-43.7178.5179-94.9000111.8T32 I36 P115 K121 Q123 L124 I188 R191 K192 D195 C196T32-F119 HydrophobicContact CG2-CE1 4.42Å; I36-F119 HydrophobicContact CD1-CD1 3.7Å; I36-F119 HydrophobicContact CD1-CE1 3.96Å; P115-F119 PolarHBondContact O-N 2.88Å; F119-K121 PolarHBondContact O-N 3.12Å; F119-Q123 HydrophobicContact CD2-CB 3.84Å; F119-Q123 HydrophobicContact CD2-CG 3.59Å; F119-Q123 HydrophobicContact CE2-CB 3.75Å; F119-Q123 HydrophobicContact CE2-CG 3.78Å; F119-Q123 HydrophobicContact CG-CB 4.41Å; F119-Q123 HydrophobicContact CG-CG 4.42Å; F119-Q123 HydrophobicContact CZ-CB 4.23Å; F119-Q123 WeakPolarHBondContact O-CB 3.41Å; F119-Q123 PolarHBondContact O-N 3.26Å; F119-L124 HydrophobicContact CD1-CD1 4.24Å; F119-L124 HydrophobicContact CD1-CG 4.17Å; F119-L124 HydrophobicContact CE1-CD1 3.94Å; F119-L124 HydrophobicContact CE1-CD2 3.9Å; F119-L124 HydrophobicContact CE1-CG 3.76Å; F119-L124 HydrophobicContact CZ-CD2 4.25Å; F119-L124 HydrophobicContact CZ-CG 4.48Å; F119-L124 PolarHBondContact O-N 2.99Å; F119-L124 VanDerWaalsContact O-N 3.16Å; F119-I188 HydrophobicContact CZ-CG2 4.07Å; F119-R191 HydrophobicContact CE2-CB 4.27Å; F119-K192 HydrophobicContact CE1-CB 4.32Å; F119-K192 HydrophobicContact CE2-CB 4.45Å; F119-K192 HydrophobicContact CZ-CB 3.71Å; F119-D195 HydrophobicContact CD2-CB 3.38Å; F119-D195 HydrophobicContact CE2-CB 3.78Å; F119-D195 HydrophobicContact CG-CB 4.21Å; F119-C196 WeakPolarHBondContact CD1-SG 3.29Å; F119-C196 VanDerWaalsContact CE1-SG 3.55Å
120R95.1Very high95Very high80 Ų8051.6 Ų51.630%0.30226%0.26SS..Hα-helixtrans-66.9-32.5178.2-177.9-178.1147.5-130.9-17.2113.5I36 K37 L116 K118 L124I36-R120 HydrophobicContact CG2-CB 4.04Å; K37-R120 VanDerWaalsContact CG-CZ 3.5Å; L116-R120 VanDerWaalsContact O-CB 3.27Å; L116-R120 WeakPolarHBondContact O-CB 3.42Å; L116-R120 PolarHBondContact O-N 3.18Å; L116-R120 VanDerWaalsContact O-N 3.11Å; K118-R120 VanDerWaalsContact C-N 3.28Å; K118-R120 PolarHBondContact O-N 3.49Å; R120-L124 HydrophobicContact CG-CD1 4.48Å
121K94.4Very high95.1Very high135 Ų13550.3 Ų50.359%0.58725%0.251SS*.Hα-helixtrans-82.4-43.2177.7-76.4177.2-175.4171.20112.8E117 K118 F119 G125E117-K121 HydrophobicContact CG-CD 4.07Å; E117-K121 WeakPolarHBondContact O-CB 3.43Å; E117-K121 VanDerWaalsContact O-CG 3.3Å; E117-K121 WeakPolarHBondContact O-CG 3.35Å; E117-K121 PolarHBondContact O-N 3.14Å; E117-K121 WeakPolarHBondContact OE1-CE 3.37Å; E117-K121 IonicContact OE1-NZ 3.77Å; E117-K121 PolarHBondContact OE1-NZ 3.26Å; K118-K121 PolarHBondContact O-N 3.28Å; F119-K121 PolarHBondContact O-N 3.12Å; K121-G125 WeakPolarHBondContact O-CA 3.3Å
122E94.6Very high95.2Very high100 Ų10055 Ų5547%0.46727%0.268SS..Hα-helixtrans-87.8-55.3-172-65.6175.4-167.500111.5K118 S126K118-E122 WeakPolarHBondContact CE-OE1 3.3Å; K118-E122 WeakPolarHBondContact CE-OE2 3.13Å; K118-E122 VanDerWaalsContact CG-CD 3.44Å; K118-E122 HydrophobicContact CG-CG 4.29Å; K118-E122 VanDerWaalsContact CG-OE1 3.27Å; K118-E122 WeakPolarHBondContact CG-OE1 3.17Å; K118-E122 IonicContact NZ-OE2 3.57Å; K118-E122 WeakPolarHBondContact O-CB 3.42Å; K118-E122 PolarHBondContact O-N 3.39Å; E122-S126 WeakPolarHBondContact O-CB 3.38Å; E122-S126 PolarHBondContact O-N 3.21Å; E122-S126 PolarHBondContact O-OG 3.31Å
123Q94.7Very high95.2Very high22 Ų2258.4 Ų58.410%0.10328%0.282CS..Hα-helixtrans-77.8-55.7-176.5-54.5-53.2-27.800111.3F119 G125 S126 A127 I188F119-Q123 HydrophobicContact CD2-CB 3.84Å; F119-Q123 HydrophobicContact CD2-CG 3.59Å; F119-Q123 HydrophobicContact CE2-CB 3.75Å; F119-Q123 HydrophobicContact CE2-CG 3.78Å; F119-Q123 HydrophobicContact CG-CB 4.41Å; F119-Q123 HydrophobicContact CG-CG 4.42Å; F119-Q123 HydrophobicContact CZ-CB 4.23Å; F119-Q123 WeakPolarHBondContact O-CB 3.41Å; F119-Q123 PolarHBondContact O-N 3.26Å; Q123-G125 PolarHBondContact O-N 3.46Å; Q123-S126 PolarHBondContact O-N 3.46Å; Q123-S126 PolarHBondContact O-OG 2.95Å; Q123-S126 VanDerWaalsContact O-OG 3.07Å; Q123-A127 WeakPolarHBondContact O-CB 3.46Å; Q123-A127 PolarHBondContact O-N 3.3Å; Q123-A127 VanDerWaalsContact O-N 3.08Å; Q123-I188 HydrophobicContact CB-CD1 4.35Å; Q123-I188 HydrophobicContact CB-CG1 4.29Å; Q123-I188 VanDerWaalsContact O-CD1 3.24Å; Q123-I188 WeakPolarHBondContact O-CD1 3.47Å
124L94.5Very high95.3Very high6 Ų658.1 Ų58.13%0.03128%0.28CS..Hα-helixtrans-72.3-11.7178.4-52.7-178.3000113.3L29 T32 N33 I36 F119 R120 I188L29-L124 HydrophobicContact CD2-CD2 4.14Å; T32-L124 HydrophobicContact CG2-CD1 4.24Å; N33-L124 HydrophobicContact CB-CD1 3.99Å; I36-L124 HydrophobicContact CD1-CD1 4.19Å; F119-L124 HydrophobicContact CD1-CD1 4.24Å; F119-L124 HydrophobicContact CD1-CG 4.17Å; F119-L124 HydrophobicContact CE1-CD1 3.94Å; F119-L124 HydrophobicContact CE1-CD2 3.9Å; F119-L124 HydrophobicContact CE1-CG 3.76Å; F119-L124 HydrophobicContact CZ-CD2 4.25Å; F119-L124 HydrophobicContact CZ-CG 4.48Å; F119-L124 PolarHBondContact O-N 2.99Å; F119-L124 VanDerWaalsContact O-N 3.16Å; R120-L124 HydrophobicContact CG-CD1 4.48Å; L124-I188 HydrophobicContact CD2-CG2 3.79Å
125G93.2Very high95.3Very high31 Ų3156.7 Ų56.732%0.3228%0.275SS..Hα-helixtrans-81.3-52.9169.800000112.8K121 Q123 A127 K128 A129K121-G125 WeakPolarHBondContact O-CA 3.3Å; Q123-G125 PolarHBondContact O-N 3.46Å; G125-A127 VanDerWaalsContact C-N 3.31Å; G125-A127 PolarHBondContact O-N 3.18Å; G125-K128 PolarHBondContact O-N 2.84Å; G125-A129 PolarHBondContact O-N 3.26Å
126S93.4Very high95.4Very high32 Ų3260.9 Ų60.922%0.22429%0.289CS..Hα-helixtrans-58.8-40.7176.450.30000112.1E122 Q123 K128 A129 E130 K184E122-S126 WeakPolarHBondContact O-CB 3.38Å; E122-S126 PolarHBondContact O-N 3.21Å; E122-S126 PolarHBondContact O-OG 3.31Å; Q123-S126 PolarHBondContact O-N 3.46Å; Q123-S126 PolarHBondContact O-OG 2.95Å; Q123-S126 VanDerWaalsContact O-OG 3.07Å; S126-K128 PolarHBondContact O-N 3.23Å; S126-A129 WeakPolarHBondContact O-CA 3.44Å; S126-A129 WeakPolarHBondContact O-CB 3.07Å; S126-A129 PolarHBondContact O-N 3.21Å; S126-E130 PolarHBondContact O-N 2.85Å; S126-K184 WeakPolarHBondContact OG-CE 3.49Å
127A94.1Very high95.5Very high8 Ų861 Ų617%0.06629%0.29CS..Hα-helixtrans-49.9-33.2171.400000114.2L29 Q123 G125 R131 I188L29-A127 HydrophobicContact CD1-CB 4.28Å; Q123-A127 WeakPolarHBondContact O-CB 3.46Å; Q123-A127 PolarHBondContact O-N 3.3Å; Q123-A127 VanDerWaalsContact O-N 3.08Å; G125-A127 VanDerWaalsContact C-N 3.31Å; G125-A127 PolarHBondContact O-N 3.18Å; A127-R131 VanDerWaalsContact O-CB 3.23Å; A127-R131 WeakPolarHBondContact O-CB 3.27Å; A127-R131 PolarHBondContact O-N 2.9Å; A127-I188 HydrophobicContact CB-CD1 3.64Å
128K94.5Very high95.6Very high78 Ų7859.6 Ų59.634%0.33929%0.285SS..Hα-helixtrans-92.3-10-179.6-68.9176.4178.6-68.50113.4D30 G125 S126 K132D30-K128 WeakPolarHBondContact OD1-CE 3.44Å; D30-K128 IonicContact OD1-NZ 3.16Å; D30-K128 PolarHBondContact OD1-NZ 2.93Å; D30-K128 IonicContact OD2-NZ 3.67Å; D30-K128 PolarHBondContact OD2-NZ 3.04Å; G125-K128 PolarHBondContact O-N 2.84Å; S126-K128 PolarHBondContact O-N 3.23Å; K128-K132 WeakPolarHBondContact O-CG 3.48Å
129A94.3Very high95.6Very high49 Ų4961 Ų6141%0.40529%0.293SS..Hα-helixtrans-81.3-52.8164.500000109.6G125 S126 R131 K132 K133G125-A129 PolarHBondContact O-N 3.26Å; S126-A129 WeakPolarHBondContact O-CA 3.44Å; S126-A129 WeakPolarHBondContact O-CB 3.07Å; S126-A129 PolarHBondContact O-N 3.21Å; A129-R131 VanDerWaalsContact C-N 3.33Å; A129-R131 PolarHBondContact O-N 2.86Å; A129-K132 WeakPolarHBondContact O-CA 3.17Å; A129-K132 WeakPolarHBondContact O-CB 3.41Å; A129-K132 PolarHBondContact O-N 3.2Å; A129-K133 PolarHBondContact O-N 3Å
130E95.6Very high95.7Very high59 Ų5964.5 Ų64.528%0.27631%0.308SS..Hα-helixtrans-68.3-33.4-175.4-85.756.794.500111.9S126 K132 K133 Y134 Y181S126-E130 PolarHBondContact O-N 2.85Å; E130-K132 VanDerWaalsContact C-N 3.29Å; E130-K132 PolarHBondContact O-N 3.23Å; E130-K133 WeakPolarHBondContact O-CB 3.38Å; E130-K133 PolarHBondContact O-N 3.44Å; E130-K133 VanDerWaalsContact O-N 3.17Å; E130-Y134 WeakPolarHBondContact O-CB 3.24Å; E130-Y134 PolarHBondContact O-N 2.64Å; E130-Y181 HydrophobicContact CB-CD2 4.05Å
131R96.5Very high95.8Very high66 Ų6662 Ų6225%0.24930%0.299CS..Hα-helixtrans-51.2-47.9166.5179.9-169171.4107.935.7112.1E26 A127 A129 K133 Y134 E135 Y181E26-R131 IonicContact OE1-CZ 3.51Å; E26-R131 IonicContact OE1-NE 3.22Å; E26-R131 IonicContact OE1-NH1 3.19Å; E26-R131 PolarHBondContact OE1-NH1 2.92Å; E26-R131 IonicContact OE1-NH2 2.74Å; E26-R131 PolarHBondContact OE1-NH2 2.87Å; E26-R131 VanDerWaalsContact OE1-NH2 3.14Å; E26-R131 IonicContact OE2-CZ 3.87Å; E26-R131 IonicContact OE2-NH1 2.78Å; E26-R131 PolarHBondContact OE2-NH1 3.46Å; E26-R131 IonicContact OE2-NH2 3.17Å; E26-R131 PolarHBondContact OE2-NH2 2.85Å; A127-R131 VanDerWaalsContact O-CB 3.23Å; A127-R131 WeakPolarHBondContact O-CB 3.27Å; A127-R131 PolarHBondContact O-N 2.9Å; A129-R131 VanDerWaalsContact C-N 3.33Å; A129-R131 PolarHBondContact O-N 2.86Å; R131-K133 VanDerWaalsContact C-N 3.34Å; R131-Y134 PolarHBondContact O-N 2.64Å; R131-E135 HydrophobicContact CG-CG 4.33Å; R131-E135 IonicContact CZ-OE1 3.49Å; R131-E135 IonicContact NE-OE1 2.68Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NE-OE2 2.88Å; R131-E135 IonicContact NH2-OE1 2.93Å; R131-E135 PolarHBondContact NH2-OE1 2.98Å; R131-E135 WeakPolarHBondContact O-CB 3.49Å; R131-E135 VanDerWaalsContact O-CG 3.26Å; R131-E135 WeakPolarHBondContact O-CG 3.47Å; R131-E135 PolarHBondContact O-N 2.87Å; R131-Y181 VanDerWaalsContact CA-CE2 3.49Å; R131-Y181 HydrophobicContact CB-CE2 3.72Å
132K96.8Very high96Very high145 Ų14560.4 Ų60.463%0.6329%0.29SS*.Hα-helixtrans-70.1-32.9-178.6-69.2176.3176-173.50112.1K128 A129 E130 K136K128-K132 WeakPolarHBondContact O-CG 3.48Å; A129-K132 WeakPolarHBondContact O-CA 3.17Å; A129-K132 WeakPolarHBondContact O-CB 3.41Å; A129-K132 PolarHBondContact O-N 3.2Å; E130-K132 VanDerWaalsContact C-N 3.29Å; E130-K132 PolarHBondContact O-N 3.23Å; K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 3.05Å
133K96.3Very high96.1Very high81 Ų8157.6 Ų57.635%0.35228%0.281SS..Hα-helixtrans-62.3-51.2174.7-158.9179.6172.6-125.80109.4A129 E130 R131 K136 E137 E177A129-K133 PolarHBondContact O-N 3Å; E130-K133 WeakPolarHBondContact O-CB 3.38Å; E130-K133 PolarHBondContact O-N 3.44Å; E130-K133 VanDerWaalsContact O-N 3.17Å; R131-K133 VanDerWaalsContact C-N 3.34Å; K133-K136 PolarHBondContact O-N 3.36Å; K133-E137 PolarHBondContact O-N 3.36Å; K133-E177 WeakPolarHBondContact CD-OE2 3.46Å; K133-E177 WeakPolarHBondContact CE-OE1 3.4Å; K133-E177 WeakPolarHBondContact CE-OE2 3.33Å; K133-E177 VanDerWaalsContact CG-OE2 3.28Å; K133-E177 WeakPolarHBondContact CG-OE2 3.4Å; K133-E177 IonicContact NZ-OE1 3.83Å; K133-E177 PolarHBondContact NZ-OE1 3.26Å; K133-E177 IonicContact NZ-OE2 2.71Å; K133-E177 PolarHBondContact NZ-OE2 2.99Å
134Y97.5Very high96.1Very high3 Ų357.6 Ų57.61%0.01228%0.284CS..Hα-helixtrans-61.5-44.4174171.6-113.7000114.1R19 I22 E130 R131 T138 F174 S178 Y181R19-Y134 PolarHBondContact NE-OH 2.69Å; R19-Y134 VanDerWaalsContact NH1-CE1 3.3Å; R19-Y134 PolarHBondContact NH1-OH 2.8Å; R19-Y134 VanDerWaalsContact NH1-OH 3.11Å; I22-Y134 HydrophobicContact CD1-CE1 4.36Å; I22-Y134 VanDerWaalsContact CD1-OH 3.32Å; I22-Y134 WeakPolarHBondContact CD1-OH 3.45Å; E130-Y134 WeakPolarHBondContact O-CB 3.24Å; E130-Y134 PolarHBondContact O-N 2.64Å; R131-Y134 PolarHBondContact O-N 2.64Å; Y134-T138 VanDerWaalsContact O-CB 3.27Å; Y134-T138 WeakPolarHBondContact O-CB 3.16Å; Y134-T138 PolarHBondContact O-N 3.48Å; Y134-T138 PolarHBondContact O-OG1 2.71Å; Y134-F174 HydrophobicContact CD2-CE2 4.29Å; Y134-F174 AromaticContact CE2-CE2 3.83Å; Y134-F174 HydrophobicContact CE2-CE2 3.83Å; Y134-S178 WeakPolarHBondContact CE2-OG 3.39Å; Y134-Y181 AromaticContact CD1-CD1 3.29Å; Y134-Y181 HydrophobicContact CD1-CD1 3.29Å; Y134-Y181 AromaticContact CD1-CE1 3.59Å; Y134-Y181 HydrophobicContact CD1-CE1 3.59Å; Y134-Y181 HydrophobicContact CD1-CG 4.23Å; Y134-Y181 HydrophobicContact CD2-CD1 4.31Å; Y134-Y181 AromaticContact CE1-CD1 3.74Å; Y134-Y181 HydrophobicContact CE1-CD1 3.74Å; Y134-Y181 AromaticContact CE1-CE1 3.94Å; Y134-Y181 HydrophobicContact CE1-CE1 3.94Å; Y134-Y181 AromaticContact CG-CD1 3.6Å; Y134-Y181 HydrophobicContact CG-CD1 3.6Å; Y134-Y181 HydrophobicContact CG-CE1 4.32Å; Y134-Y181 HydrophobicContact CG-CG 4.14Å
135E97.3Very high96.2Very high76 Ų7659.2 Ų59.236%0.35529%0.292SS..Hα-helixtrans-62.1-43176-76.4170.9156.200111.6R131 T138 E139R131-E135 HydrophobicContact CG-CG 4.33Å; R131-E135 IonicContact CZ-OE1 3.49Å; R131-E135 IonicContact NE-OE1 2.68Å; R131-E135 PolarHBondContact NE-OE1 3.23Å; R131-E135 IonicContact NE-OE2 2.88Å; R131-E135 IonicContact NH2-OE1 2.93Å; R131-E135 PolarHBondContact NH2-OE1 2.98Å; R131-E135 WeakPolarHBondContact O-CB 3.49Å; R131-E135 VanDerWaalsContact O-CG 3.26Å; R131-E135 WeakPolarHBondContact O-CG 3.47Å; R131-E135 PolarHBondContact O-N 2.87Å; E135-T138 WeakPolarHBondContact O-CB 3.35Å; E135-T138 PolarHBondContact O-N 3.5Å; E135-E139 PolarHBondContact O-N 2.98Å; E135-E139 VanDerWaalsContact O-N 3.09Å
136K97.6Very high96.4Very high130 Ų13063.6 Ų63.657%0.56530%0.304SS*.Hα-helixtrans-65.1-48177.6173179.2167.1-85.30112.6K132 K133 T138 E139 K140K132-K136 WeakPolarHBondContact O-CB 3.32Å; K132-K136 PolarHBondContact O-N 3.05Å; K133-K136 PolarHBondContact O-N 3.36Å; K136-T138 VanDerWaalsContact C-N 3.33Å; K136-E139 PolarHBondContact O-N 3.42Å; K136-K140 WeakPolarHBondContact O-CB 3.43Å; K136-K140 PolarHBondContact O-N 3.03Å
137E97.3Very high96.4Very high5 Ų568.4 Ų68.42%0.02332%0.321CS..Hα-helixtrans-74-26.3-179.7-58.8-56.3116.800111.8K133 K140 Y141 H173 E177K133-E137 PolarHBondContact O-N 3.36Å; E137-K140 WeakPolarHBondContact OE2-CD 3.3Å; E137-K140 WeakPolarHBondContact OE2-CE 3.29Å; E137-K140 IonicContact OE2-NZ 2.64Å; E137-K140 PolarHBondContact OE2-NZ 3.05Å; E137-Y141 WeakPolarHBondContact O-CB 2.86Å; E137-Y141 PolarHBondContact O-N 3.01Å; E137-H173 IonicContact OE2-CD2 3.33Å; E137-H173 PolarHBondContact OE2-CD2 3.15Å; E137-H173 IonicContact OE2-NE2 3.14Å; E137-E177 HydrophobicContact CB-CG 4.44Å; E137-E177 HydrophobicContact CG-CG 4.14Å
138T97.2Very high96.4Very high21 Ų2169.4 Ų69.413%0.12933%0.325CS..Hα-helixtrans-56.1-54.8164.7-650000110.9R19 Y134 E135 K136 K140 Y141 Y142 F174R19-T138 PolarHBondContact NH1-OG1 2.61Å; R19-T138 PolarHBondContact NH2-OG1 3.35Å; Y134-T138 VanDerWaalsContact O-CB 3.27Å; Y134-T138 WeakPolarHBondContact O-CB 3.16Å; Y134-T138 PolarHBondContact O-N 3.48Å; Y134-T138 PolarHBondContact O-OG1 2.71Å; E135-T138 WeakPolarHBondContact O-CB 3.35Å; E135-T138 PolarHBondContact O-N 3.5Å; K136-T138 VanDerWaalsContact C-N 3.33Å; T138-K140 VanDerWaalsContact C-N 3.35Å; T138-K140 PolarHBondContact O-N 3.11Å; T138-Y141 PolarHBondContact O-N 3.32Å; T138-Y142 HydrophobicContact CG2-CD2 3.89Å; T138-Y142 HydrophobicContact CG2-CE2 4.14Å; T138-Y142 WeakPolarHBondContact O-CD2 3.27Å; T138-Y142 PolarHBondContact O-N 3.11Å; T138-F174 WeakPolarHBondContact OG1-CE2 3.44Å
139E97.5Very high96.4Very high146 Ų14671.9 Ų71.968%0.68234%0.342SS*.Hα-helixtrans-61.7-42.9-178.3-176.2-179.3-170.100111.8E135 K136 S143E135-E139 PolarHBondContact O-N 2.98Å; E135-E139 VanDerWaalsContact O-N 3.09Å; K136-E139 PolarHBondContact O-N 3.42Å; E139-S143 WeakPolarHBondContact O-CB 3.48Å; E139-S143 PolarHBondContact O-N 2.82Å; E139-S143 PolarHBondContact O-OG 3.08Å
140K97.4Very high96.4Very high81 Ų8175.6 Ų75.635%0.35235%0.354SS..Hα-helixtrans-61.9-43176.1-177-158.4-179.8-1640111.7K136 E137 T138 S143 S144 I170K136-K140 WeakPolarHBondContact O-CB 3.43Å; K136-K140 PolarHBondContact O-N 3.03Å; E137-K140 WeakPolarHBondContact OE2-CD 3.3Å; E137-K140 WeakPolarHBondContact OE2-CE 3.29Å; E137-K140 IonicContact OE2-NZ 2.64Å; E137-K140 PolarHBondContact OE2-NZ 3.05Å; T138-K140 VanDerWaalsContact C-N 3.35Å; T138-K140 PolarHBondContact O-N 3.11Å; K140-S143 PolarHBondContact O-OG 3.47Å; K140-S144 VanDerWaalsContact O-CB 3.25Å; K140-S144 WeakPolarHBondContact O-CB 3.47Å; K140-S144 PolarHBondContact O-N 2.98Å; K140-S144 VanDerWaalsContact O-N 3.15Å; K140-S144 PolarHBondContact O-OG 3.47Å; K140-I170 HydrophobicContact CD-CG2 4.08Å; K140-I170 HydrophobicContact CG-CG2 4.09Å
141Y97.8Very high96.2Very high29 Ų2974.9 Ų74.911%0.11435%0.352CS..Hα-helixtrans-64.2-58.2177.9169.7-126000111.6E137 T138 S143 S144 L145 V167 I170 R171 F174E137-Y141 WeakPolarHBondContact O-CB 2.86Å; E137-Y141 PolarHBondContact O-N 3.01Å; T138-Y141 PolarHBondContact O-N 3.32Å; Y141-S143 PolarHBondContact O-N 3.27Å; Y141-S144 PolarHBondContact O-N 2.9Å; Y141-L145 HydrophobicContact CE2-CB 4.38Å; Y141-L145 HydrophobicContact CE2-CD2 4.4Å; Y141-L145 WeakPolarHBondContact O-CB 3.48Å; Y141-L145 PolarHBondContact O-N 3.26Å; Y141-V167 HydrophobicContact CE2-CG1 4.22Å; Y141-I170 HydrophobicContact CD2-CG2 4.49Å; Y141-R171 HydrophobicContact CD2-CB 3.92Å; Y141-R171 HydrophobicContact CD2-CG 4.33Å; Y141-R171 HydrophobicContact CE1-CG 4.49Å; Y141-R171 HydrophobicContact CE2-CB 3.52Å; Y141-R171 HydrophobicContact CE2-CG 3.63Å; Y141-R171 WeakPolarHBondContact OH-CD 3.02Å; Y141-F174 AromaticContact CD1-CD1 3.49Å; Y141-F174 HydrophobicContact CD1-CD1 3.49Å; Y141-F174 VanDerWaalsContact CD1-CD1 3.49Å; Y141-F174 AromaticContact CD1-CE1 3.9Å; Y141-F174 HydrophobicContact CD1-CE1 3.9Å; Y141-F174 HydrophobicContact CD1-CG 4.02Å; Y141-F174 AromaticContact CE1-CD1 3.96Å; Y141-F174 HydrophobicContact CE1-CD1 3.96Å; Y141-F174 HydrophobicContact CE1-CE1 4.15Å; Y141-F174 HydrophobicContact CG-CB 4.27Å; Y141-F174 HydrophobicContact CG-CD1 4.04Å; Y141-F174 HydrophobicContact CG-CG 4.24Å
142Y97.1Very high95.9Very high101 Ų10175.1 Ų75.140%0.39636%0.364SS..Hα-helixtrans-63.2-39.5-176.3-78.4-71.4000112.9D14 T138 S144 L145 E146D14-Y142 PolarHBondContact OD2-OH 3.08Å; T138-Y142 HydrophobicContact CG2-CD2 3.89Å; T138-Y142 HydrophobicContact CG2-CE2 4.14Å; T138-Y142 WeakPolarHBondContact O-CD2 3.27Å; T138-Y142 PolarHBondContact O-N 3.11Å; Y142-S144 PolarHBondContact O-N 2.82Å; Y142-L145 HydrophobicContact CD1-CD2 4.39Å; Y142-L145 PolarHBondContact O-N 3.48Å; Y142-E146 WeakPolarHBondContact O-CB 3.32Å; Y142-E146 PolarHBondContact O-N 2.97Å
143S96.9Very high95.5Very high41 Ų4172.8 Ų72.829%0.28737%0.371SS..Hα-helixtrans-72.1-13.2175.169.50000113.9E139 K140 Y141 K147E139-S143 WeakPolarHBondContact O-CB 3.48Å; E139-S143 PolarHBondContact O-N 2.82Å; E139-S143 PolarHBondContact O-OG 3.08Å; K140-S143 PolarHBondContact O-OG 3.47Å; Y141-S143 PolarHBondContact O-N 3.27Å; S143-K147 VanDerWaalsContact O-CD 3.22Å; S143-K147 WeakPolarHBondContact O-CD 3.34Å; S143-K147 WeakPolarHBondContact O-CE 3.21Å; S143-K147 VanDerWaalsContact O-CG 3.24Å; S143-K147 WeakPolarHBondContact O-CG 3.26Å; S143-K147 PolarHBondContact O-NZ 2.91Å
144S96.1Very high95.1Very high21 Ų2178.4 Ų78.415%0.14740%0.396CS..Hα-helixtrans-90.7-40.4172.4-56.60000111K140 Y141 Y142 E146 K147 L148K140-S144 VanDerWaalsContact O-CB 3.25Å; K140-S144 WeakPolarHBondContact O-CB 3.47Å; K140-S144 PolarHBondContact O-N 2.98Å; K140-S144 VanDerWaalsContact O-N 3.15Å; K140-S144 PolarHBondContact O-OG 3.47Å; Y141-S144 PolarHBondContact O-N 2.9Å; Y142-S144 PolarHBondContact O-N 2.82Å; S144-E146 PolarHBondContact O-N 3.31Å; S144-K147 PolarHBondContact O-N 2.92Å; S144-L148 PolarHBondContact O-N 3.06Å
145L96.4Very high94.7Very high41 Ų4182.7 Ų82.722%0.21542%0.415CS..Hα-helixtrans-59.3-43.7171.3179.462.2000111.8Y141 Y142 K147 L148 L149 V167Y141-L145 HydrophobicContact CE2-CB 4.38Å; Y141-L145 HydrophobicContact CE2-CD2 4.4Å; Y141-L145 WeakPolarHBondContact O-CB 3.48Å; Y141-L145 PolarHBondContact O-N 3.26Å; Y142-L145 HydrophobicContact CD1-CD2 4.39Å; Y142-L145 PolarHBondContact O-N 3.48Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 3.24Å; L145-L148 WeakPolarHBondContact O-CB 3.41Å; L145-L148 PolarHBondContact O-N 2.81Å; L145-L149 HydrophobicContact CD1-CD1 4.06Å; L145-L149 HydrophobicContact CD1-CG 4.15Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 WeakPolarHBondContact O-CG 3.44Å; L145-L149 PolarHBondContact O-N 2.75Å; L145-V167 HydrophobicContact CB-CG1 4.27Å; L145-V167 HydrophobicContact CD1-CG1 4.11Å
146E96.6Very high94.4Very high123 Ų12386.4 Ų86.458%0.57543%0.43SS*.Hα-helixtrans-61.4-38.9175.5-178.3175.9-151.600112.3Y142 S144 N150Y142-E146 WeakPolarHBondContact O-CB 3.32Å; Y142-E146 PolarHBondContact O-N 2.97Å; S144-E146 PolarHBondContact O-N 3.31Å; E146-N150 WeakPolarHBondContact CG-ND2 3.37Å; E146-N150 WeakPolarHBondContact O-CB 3.37Å; E146-N150 PolarHBondContact O-N 2.94Å; E146-N150 PolarHBondContact O-ND2 2.98Å
147K94.6Very high93.9Very high133 Ų13385.6 Ų85.658%0.57843%0.428SS*.Hα-helixtrans-65.9-39.1176-69.4167.1-165.7122.40111.7S143 S144 L145 M151S143-K147 VanDerWaalsContact O-CD 3.22Å; S143-K147 WeakPolarHBondContact O-CD 3.34Å; S143-K147 WeakPolarHBondContact O-CE 3.21Å; S143-K147 VanDerWaalsContact O-CG 3.24Å; S143-K147 WeakPolarHBondContact O-CG 3.26Å; S143-K147 PolarHBondContact O-NZ 2.91Å; S144-K147 PolarHBondContact O-N 2.92Å; L145-K147 VanDerWaalsContact C-N 3.32Å; L145-K147 PolarHBondContact O-N 3.24Å; K147-M151 WeakPolarHBondContact O-CG 3.17Å; K147-M151 PolarHBondContact O-N 2.96Å
148L94.3Very high93.6Very high28 Ų2889.5 Ų89.515%0.14745%0.453CS..Hα-helixtrans-64.2-52175.3174.561.6000111.4S144 L145 N150 M151 A163 D164 V167S144-L148 PolarHBondContact O-N 3.06Å; L145-L148 WeakPolarHBondContact O-CB 3.41Å; L145-L148 PolarHBondContact O-N 2.81Å; L148-N150 PolarHBondContact O-N 2.97Å; L148-M151 HydrophobicContact CD1-CE 4.16Å; L148-M151 VanDerWaalsContact O-CB 3.3Å; L148-M151 WeakPolarHBondContact O-CB 3.36Å; L148-M151 WeakPolarHBondContact O-CG 3.33Å; L148-M151 PolarHBondContact O-N 2.97Å; L148-A163 HydrophobicContact CD1-CB 3.77Å; L148-D164 WeakPolarHBondContact CD2-OD1 3.46Å; L148-V167 HydrophobicContact CB-CG2 3.86Å; L148-V167 HydrophobicContact CD2-CB 3.82Å; L148-V167 HydrophobicContact CD2-CG1 4.12Å; L148-V167 HydrophobicContact CD2-CG2 3.74Å; L148-V167 HydrophobicContact CG-CG2 4.41Å
149L93.4Very high93.2Very high131 Ų13193 Ų9369%0.68647%0.468SS*.Hα-helixtrans-63.4-28.6-178.8-68.1173.7000113.2L145 M151L145-L149 HydrophobicContact CD1-CD1 4.06Å; L145-L149 HydrophobicContact CD1-CG 4.15Å; L145-L149 HydrophobicContact CG-CD1 3.93Å; L145-L149 HydrophobicContact CG-CG 4.42Å; L145-L149 WeakPolarHBondContact O-CB 3.48Å; L145-L149 WeakPolarHBondContact O-CG 3.44Å; L145-L149 PolarHBondContact O-N 2.75Å; L149-M151 VanDerWaalsContact C-N 3.33Å
150N93.9Very high92.8Very high126 Ų12687.7 Ų87.767%0.67445%0.445SS*.THydrogen-bonded Turntrans-84.72173.9-75.6-63.6000114.1E146 L148E146-N150 WeakPolarHBondContact CG-ND2 3.37Å; E146-N150 WeakPolarHBondContact O-CB 3.37Å; E146-N150 PolarHBondContact O-N 2.94Å; E146-N150 PolarHBondContact O-ND2 2.98Å; L148-N150 PolarHBondContact O-N 2.97Å
151M91.9Very high92.5Very high45 Ų4589 Ų8922%0.22245%0.452CS..SBendtrans-73.1137175.2-62.5-139.1-59.100111.5K147 L148 L149 A153 K155 Q159 L160 A163K147-M151 WeakPolarHBondContact O-CG 3.17Å; K147-M151 PolarHBondContact O-N 2.96Å; L148-M151 HydrophobicContact CD1-CE 4.16Å; L148-M151 VanDerWaalsContact O-CB 3.3Å; L148-M151 WeakPolarHBondContact O-CB 3.36Å; L148-M151 WeakPolarHBondContact O-CG 3.33Å; L148-M151 PolarHBondContact O-N 2.97Å; L149-M151 VanDerWaalsContact C-N 3.33Å; M151-A153 PolarHBondContact O-N 2.95Å; M151-K155 HydrophobicContact CE-CD 4.09Å; M151-K155 HydrophobicContact SD-CD 3.97Å; M151-K155 PolarHBondContact SD-NZ 3.22Å; M151-Q159 WeakPolarHBondContact CE-O 3.26Å; M151-L160 HydrophobicContact CE-CD2 4.12Å; M151-A163 HydrophobicContact CE-CB 3.36Å; M151-A163 HydrophobicContact SD-CB 4.46Å
152S91Very high92.3Very high71 Ų7193.2 Ų93.250%0.49747%0.473SS..  trans-67126.5176.6-171.50000111.3K154 K155S152-K154 PolarHBondContact O-N 3.42Å; S152-K154 PolarHBondContact OG-N 3.09Å; S152-K155 WeakPolarHBondContact O-CB 3.39Å; S152-K155 PolarHBondContact O-N 2.84Å
153A87.4Confident92.1Very high96 Ų9689.3 Ų89.379%0.79346%0.461SS*.THydrogen-bonded Turntrans-60.32.3170.300000114.7M151M151-A153 PolarHBondContact O-N 2.95Å
154K88.3Confident91.9Very high198 Ų19891.3 Ų91.386%0.86147%0.468SS*.THydrogen-bonded Turntrans-91.80.4168.8-63.4-178.9179.2179.60113.6S152S152-K154 PolarHBondContact O-N 3.42Å; S152-K154 PolarHBondContact OG-N 3.09Å
155K89.6Confident91.9Very high94 Ų9493.8 Ų93.841%0.40949%0.486SS..SBendtrans-64.9161.4170.2-81.3-166.2172.9-1690111M151 S152 L160M151-K155 HydrophobicContact CE-CD 4.09Å; M151-K155 HydrophobicContact SD-CD 3.97Å; M151-K155 PolarHBondContact SD-NZ 3.22Å; S152-K155 WeakPolarHBondContact O-CB 3.39Å; S152-K155 PolarHBondContact O-N 2.84Å; K155-L160 HydrophobicContact CB-CD2 4.1Å; K155-L160 HydrophobicContact CB-CG 4.22Å
156K89.2Confident91.9Very high154 Ų15497 Ų9767%0.6750%0.5SS*.  trans-70.7135.7173.9-65.6-176.1177.8-177.20109.6P158 Q159 L160K156-P158 HydrophobicContact CB-CG 4.4Å; K156-Q159 HydrophobicContact CB-CG 4.41Å; K156-Q159 WeakPolarHBondContact O-CA 3.46Å; K156-Q159 WeakPolarHBondContact O-CB 3.48Å; K156-Q159 PolarHBondContact O-N 2.86Å; K156-L160 PolarHBondContact O-N 2.9Å
157E88.7Confident91.9Very high112 Ų11291.8 Ų91.852%0.52348%0.476SS..Hα-helixtrans-37.1-54177.2-172.761.7-15900115.5Q159 L160 Q161E157-Q159 PolarHBondContact O-N 3.5Å; E157-Q159 VanDerWaalsContact O-N 3.15Å; E157-L160 WeakPolarHBondContact O-CB 3.42Å; E157-L160 PolarHBondContact O-N 3.17Å; E157-Q161 PolarHBondContact O-N 2.6Å; E157-Q161 PolarHBondContact OE1-NE2 2.75Å
158P91.3Very high91.9Very high87 Ų8788.3 Ų88.357%0.56546%0.462SS*.Hα-helixtrans-61.8-25.617923.4-35.6000114.4K156 L160 E162K156-P158 HydrophobicContact CB-CG 4.4Å; P158-L160 VanDerWaalsContact C-N 3.35Å; P158-E162 VanDerWaalsContact O-CB 3.26Å; P158-E162 WeakPolarHBondContact O-CB 3.47Å; P158-E162 PolarHBondContact O-N 3.44Å
159Q88.4Confident92.1Very high95 Ų9591.1 Ų91.144%0.44448%0.48SS..Hα-helixtrans-81.2-14.6175.8-59.6-177.5-37.500113.2M151 K156 E157M151-Q159 WeakPolarHBondContact CE-O 3.26Å; K156-Q159 HydrophobicContact CB-CG 4.41Å; K156-Q159 WeakPolarHBondContact O-CA 3.46Å; K156-Q159 WeakPolarHBondContact O-CB 3.48Å; K156-Q159 PolarHBondContact O-N 2.86Å; E157-Q159 PolarHBondContact O-N 3.5Å; E157-Q159 VanDerWaalsContact O-N 3.15Å
160L88.9Confident92.2Very high35 Ų3586.4 Ų86.418%0.18346%0.456CS..Hα-helixtrans-81.8-55.1168.6-63.8168.4000108M151 K155 K156 E157 P158 E162 A163 D164M151-L160 HydrophobicContact CE-CD2 4.12Å; K155-L160 HydrophobicContact CB-CD2 4.1Å; K155-L160 HydrophobicContact CB-CG 4.22Å; K156-L160 PolarHBondContact O-N 2.9Å; E157-L160 WeakPolarHBondContact O-CB 3.42Å; E157-L160 PolarHBondContact O-N 3.17Å; P158-L160 VanDerWaalsContact C-N 3.35Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.1Å; L160-A163 CarbonylContact O-C 3.53Å; L160-A163 WeakPolarHBondContact O-CA 3.41Å; L160-A163 WeakPolarHBondContact O-CB 3.43Å; L160-A163 PolarHBondContact O-N 3.22Å; L160-D164 PolarHBondContact O-N 3.3Å; L160-D164 VanDerWaalsContact O-OD2 3.13Å
161Q91.1Very high92.4Very high108 Ų10884.6 Ų84.651%0.50544%0.44SS..Hα-helixtrans-55.8-38.4179.4-63.8179.1-0.100113.7E157 S165E157-Q161 PolarHBondContact O-N 2.6Å; E157-Q161 PolarHBondContact OE1-NE2 2.75Å; Q161-S165 WeakPolarHBondContact O-CB 3.33Å; Q161-S165 PolarHBondContact O-N 3.35Å
162E92.6Very high92.6Very high118 Ų11886.8 Ų86.855%0.55145%0.449SS*.Hα-helixtrans-62.5-42.3173.6-170.2-167.816000111.8P158 L160 Q166P158-E162 VanDerWaalsContact O-CB 3.26Å; P158-E162 WeakPolarHBondContact O-CB 3.47Å; P158-E162 PolarHBondContact O-N 3.44Å; L160-E162 VanDerWaalsContact C-N 3.3Å; L160-E162 PolarHBondContact O-N 3.1Å; E162-Q166 VanDerWaalsContact O-CG 3.28Å; E162-Q166 WeakPolarHBondContact O-CG 3.42Å; E162-Q166 PolarHBondContact O-N 3.38Å; E162-Q166 PolarHBondContact OE1-NE2 2.74Å; E162-Q166 VanDerWaalsContact OE1-NE2 3.13Å
163A92.7Very high92.9Very high18 Ų1886.4 Ų86.415%0.14944%0.439CS..Hα-helixtrans-74.9-36.8-179.600000112.4L148 M151 L160 Q166 V167L148-A163 HydrophobicContact CD1-CB 3.77Å; M151-A163 HydrophobicContact CE-CB 3.36Å; M151-A163 HydrophobicContact SD-CB 4.46Å; L160-A163 CarbonylContact O-C 3.53Å; L160-A163 WeakPolarHBondContact O-CA 3.41Å; L160-A163 WeakPolarHBondContact O-CB 3.43Å; L160-A163 PolarHBondContact O-N 3.22Å; A163-Q166 PolarHBondContact O-N 2.68Å; A163-V167 WeakPolarHBondContact O-CG2 3.28Å; A163-V167 PolarHBondContact O-N 3.12Å
164D94.3Very high93.3Very high83 Ų8382 Ų8244%0.44440%0.402SS..Hα-helixtrans-57.6-49.3170.1-67.6-49.4000110.2L148 L160 Q166 V167 E168L148-D164 WeakPolarHBondContact CD2-OD1 3.46Å; L160-D164 PolarHBondContact O-N 3.3Å; L160-D164 VanDerWaalsContact O-OD2 3.13Å; D164-Q166 PolarHBondContact O-N 2.72Å; D164-V167 PolarHBondContact O-N 2.91Å; D164-E168 WeakPolarHBondContact O-CB 3.45Å; D164-E168 PolarHBondContact O-N 2.89Å
165S95.6Very high93.7Very high74 Ų7473.6 Ų73.652%0.51737%0.366SS..Hα-helixtrans-64.1-37.6178.7-173.80000112.8Q161 E168 T169Q161-S165 WeakPolarHBondContact O-CB 3.33Å; Q161-S165 PolarHBondContact O-N 3.35Å; S165-E168 PolarHBondContact O-N 2.88Å; S165-T169 PolarHBondContact O-N 3.33Å; S165-T169 VanDerWaalsContact O-N 3.11Å; S165-T169 PolarHBondContact O-OG1 3.06Å
166Q95.3Very high94.1Very high108 Ų10874.4 Ų74.451%0.50537%0.371SS..Hα-helixtrans-65.1-43.6174.8-75.1174.625.700112.2E162 A163 D164 E168 I170E162-Q166 VanDerWaalsContact O-CG 3.28Å; E162-Q166 WeakPolarHBondContact O-CG 3.42Å; E162-Q166 PolarHBondContact O-N 3.38Å; E162-Q166 PolarHBondContact OE1-NE2 2.74Å; E162-Q166 VanDerWaalsContact OE1-NE2 3.13Å; A163-Q166 PolarHBondContact O-N 2.68Å; D164-Q166 PolarHBondContact O-N 2.72Å; Q166-E168 VanDerWaalsContact C-N 3.35Å; Q166-I170 VanDerWaalsContact O-CG1 3.32Å; Q166-I170 WeakPolarHBondContact O-CG1 3.42Å; Q166-I170 PolarHBondContact O-N 3.15Å; Q166-I170 VanDerWaalsContact O-N 3.16Å
167V96.6Very high94.5Very high14 Ų1467.6 Ų67.69%0.08534%0.342CS..Hα-helixtrans-67.4-36.8176.3171.90000111.3Y141 L145 L148 A163 D164 I170 R171Y141-V167 HydrophobicContact CE2-CG1 4.22Å; L145-V167 HydrophobicContact CB-CG1 4.27Å; L145-V167 HydrophobicContact CD1-CG1 4.11Å; L148-V167 HydrophobicContact CB-CG2 3.86Å; L148-V167 HydrophobicContact CD2-CB 3.82Å; L148-V167 HydrophobicContact CD2-CG1 4.12Å; L148-V167 HydrophobicContact CD2-CG2 3.74Å; L148-V167 HydrophobicContact CG-CG2 4.41Å; A163-V167 WeakPolarHBondContact O-CG2 3.28Å; A163-V167 PolarHBondContact O-N 3.12Å; D164-V167 PolarHBondContact O-N 2.91Å; V167-I170 PolarHBondContact O-N 3.05Å; V167-R171 WeakPolarHBondContact O-CB 3.3Å; V167-R171 PolarHBondContact O-N 3.39Å
168E96.1Very high94.9Very high60 Ų6062.3 Ų62.328%0.2832%0.317SS..Hα-helixtrans-61.4-46176.2-176.256.6-146.600112.1D164 S165 Q166 I170 R171 Q172D164-E168 WeakPolarHBondContact O-CB 3.45Å; D164-E168 PolarHBondContact O-N 2.89Å; S165-E168 PolarHBondContact O-N 2.88Å; Q166-E168 VanDerWaalsContact C-N 3.35Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.45Å; E168-R171 WeakPolarHBondContact O-CB 3.45Å; E168-R171 PolarHBondContact O-N 3.09Å; E168-R171 IonicContact OE1-CZ 2.68Å; E168-R171 IonicContact OE1-NE 3.33Å; E168-R171 PolarHBondContact OE1-NE 2.98Å; E168-R171 IonicContact OE1-NH2 3.13Å; E168-R171 PolarHBondContact OE1-NH2 3.35Å; E168-R171 IonicContact OE2-CZ 3.45Å; E168-R171 IonicContact OE2-NE 3.88Å; E168-R171 PolarHBondContact OE2-NE 3.39Å; E168-R171 VanDerWaalsContact OE2-NE 3.13Å; E168-R171 IonicContact OE2-NH1 3.41Å; E168-R171 IonicContact OE2-NH2 3.47Å; E168-R171 PolarHBondContact OE2-NH2 2.91Å; E168-Q172 WeakPolarHBondContact O-CG 3.33Å; E168-Q172 PolarHBondContact O-N 3.05Å; E168-Q172 PolarHBondContact OE1-NE2 3.41Å
169T96.9Very high95.2Very high86 Ų8660.1 Ų60.153%0.52830%0.3SS..Hα-helixtrans-62.4-38.5175-57.20000112.2S165 H173S165-T169 PolarHBondContact O-N 3.33Å; S165-T169 VanDerWaalsContact O-N 3.11Å; S165-T169 PolarHBondContact O-OG1 3.06Å; T169-H173 PolarHBondContact O-N 2.91Å
170I97.1Very high95.6Very high32 Ų3260 Ų6016%0.16430%0.303CS..Hα-helixtrans-69.1-36.1176-63.8168.4000111.1K140 Y141 Q166 V167 E168 H173 F174K140-I170 HydrophobicContact CD-CG2 4.08Å; K140-I170 HydrophobicContact CG-CG2 4.09Å; Y141-I170 HydrophobicContact CD2-CG2 4.49Å; Q166-I170 VanDerWaalsContact O-CG1 3.32Å; Q166-I170 WeakPolarHBondContact O-CG1 3.42Å; Q166-I170 PolarHBondContact O-N 3.15Å; Q166-I170 VanDerWaalsContact O-N 3.16Å; V167-I170 PolarHBondContact O-N 3.05Å; E168-I170 VanDerWaalsContact C-N 3.32Å; E168-I170 PolarHBondContact O-N 3.45Å; I170-H173 PolarHBondContact O-N 3.43Å; I170-F174 WeakPolarHBondContact O-CB 3.4Å; I170-F174 PolarHBondContact O-N 2.72Å
171R96.8Very high96.1Very high89 Ų8958.6 Ų58.634%0.33630%0.295SS..Hα-helixtrans-63.3-46.9176-173.1178.575.2170.64.6111.6Y141 V167 E168 H173 F174 Q175Y141-R171 HydrophobicContact CD2-CB 3.92Å; Y141-R171 HydrophobicContact CD2-CG 4.33Å; Y141-R171 HydrophobicContact CE1-CG 4.49Å; Y141-R171 HydrophobicContact CE2-CB 3.52Å; Y141-R171 HydrophobicContact CE2-CG 3.63Å; Y141-R171 WeakPolarHBondContact OH-CD 3.02Å; V167-R171 WeakPolarHBondContact O-CB 3.3Å; V167-R171 PolarHBondContact O-N 3.39Å; E168-R171 WeakPolarHBondContact O-CB 3.45Å; E168-R171 PolarHBondContact O-N 3.09Å; E168-R171 IonicContact OE1-CZ 2.68Å; E168-R171 IonicContact OE1-NE 3.33Å; E168-R171 PolarHBondContact OE1-NE 2.98Å; E168-R171 IonicContact OE1-NH2 3.13Å; E168-R171 PolarHBondContact OE1-NH2 3.35Å; E168-R171 IonicContact OE2-CZ 3.45Å; E168-R171 IonicContact OE2-NE 3.88Å; E168-R171 PolarHBondContact OE2-NE 3.39Å; E168-R171 VanDerWaalsContact OE2-NE 3.13Å; E168-R171 IonicContact OE2-NH1 3.41Å; E168-R171 IonicContact OE2-NH2 3.47Å; E168-R171 PolarHBondContact OE2-NH2 2.91Å; R171-H173 VanDerWaalsContact C-N 3.35Å; R171-F174 PolarHBondContact O-N 2.74Å; R171-Q175 VanDerWaalsContact O-CG 3.31Å; R171-Q175 WeakPolarHBondContact O-CG 3.44Å; R171-Q175 PolarHBondContact O-N 3.38Å
172Q96.1Very high96.4Very high91 Ų9153.4 Ų53.443%0.42527%0.271SS..Hα-helixtrans-59.5-47.5178-71.6169.810.300110.5E168 F174 Q175 E176E168-Q172 WeakPolarHBondContact O-CG 3.33Å; E168-Q172 PolarHBondContact O-N 3.05Å; E168-Q172 PolarHBondContact OE1-NE2 3.41Å; Q172-F174 PolarHBondContact O-N 3.11Å; Q172-Q175 WeakPolarHBondContact O-CB 3.4Å; Q172-Q175 PolarHBondContact O-N 3.35Å; Q172-Q175 VanDerWaalsContact O-N 3.09Å; Q172-E176 WeakPolarHBondContact O-CG 3.5Å; Q172-E176 PolarHBondContact O-N 3.43Å
173H97Very high96.5Very high62 Ų6250.9 Ų50.929%0.28727%0.266SS..Hα-helixtrans-64.8-39.3177.4-168.345.3000113.2E137 T169 I170 R171 Q175 E176 E177E137-H173 IonicContact OE2-CD2 3.33Å; E137-H173 PolarHBondContact OE2-CD2 3.15Å; E137-H173 IonicContact OE2-NE2 3.14Å; T169-H173 PolarHBondContact O-N 2.91Å; I170-H173 PolarHBondContact O-N 3.43Å; R171-H173 VanDerWaalsContact C-N 3.35Å; H173-Q175 VanDerWaalsContact C-N 3.29Å; H173-Q175 PolarHBondContact O-N 3.25Å; H173-E176 WeakPolarHBondContact CA-OE2 3.48Å; H173-E176 IonicContact CG-OE2 2.77Å; H173-E176 IonicContact ND1-OE2 2.78Å; H173-E176 PolarHBondContact ND1-OE2 3.29Å; H173-E176 PolarHBondContact O-N 3.13Å; H173-E177 IonicContact CE1-OE1 2.92Å; H173-E177 PolarHBondContact CE1-OE1 3.1Å; H173-E177 VanDerWaalsContact CE1-OE1 3.24Å; H173-E177 IonicContact NE2-OE1 2.7Å; H173-E177 VanDerWaalsContact O-CG 3.24Å; H173-E177 WeakPolarHBondContact O-CG 3.26Å; H173-E177 PolarHBondContact O-N 3.42Å
174F97.6Very high96.7Very high3 Ų351.8 Ų51.81%0.01327%0.266CS..Hα-helixtrans-59.5-39171.2158.7-109.6000112.4D14 Y134 T138 Y141 I170 R171 Q172 S178D14-F174 HydrophobicContact CB-CE1 4.44Å; D14-F174 HydrophobicContact CB-CZ 4.3Å; D14-F174 WeakPolarHBondContact OD2-CZ 3.23Å; Y134-F174 HydrophobicContact CD2-CE2 4.29Å; Y134-F174 AromaticContact CE2-CE2 3.83Å; Y134-F174 HydrophobicContact CE2-CE2 3.83Å; T138-F174 WeakPolarHBondContact OG1-CE2 3.44Å; Y141-F174 AromaticContact CD1-CD1 3.49Å; Y141-F174 HydrophobicContact CD1-CD1 3.49Å; Y141-F174 VanDerWaalsContact CD1-CD1 3.49Å; Y141-F174 AromaticContact CD1-CE1 3.9Å; Y141-F174 HydrophobicContact CD1-CE1 3.9Å; Y141-F174 HydrophobicContact CD1-CG 4.02Å; Y141-F174 AromaticContact CE1-CD1 3.96Å; Y141-F174 HydrophobicContact CE1-CD1 3.96Å; Y141-F174 HydrophobicContact CE1-CE1 4.15Å; Y141-F174 HydrophobicContact CG-CB 4.27Å; Y141-F174 HydrophobicContact CG-CD1 4.04Å; Y141-F174 HydrophobicContact CG-CG 4.24Å; I170-F174 WeakPolarHBondContact O-CB 3.4Å; I170-F174 PolarHBondContact O-N 2.72Å; R171-F174 PolarHBondContact O-N 2.74Å; Q172-F174 PolarHBondContact O-N 3.11Å; F174-S178 WeakPolarHBondContact O-CB 3.49Å; F174-S178 PolarHBondContact O-N 2.99Å
175Q96.6Very high96.8Very high23 Ų2347.9 Ų47.911%0.10725%0.245CC..Hα-helixtrans-69.4-41.5178.3-72.7167.9-17.900112Y12 R171 Q172 H173 S178 L179Y12-Q175 HydrophobicContact CD1-CB 4.31Å; Y12-Q175 VanDerWaalsContact CD1-CD 3.5Å; Y12-Q175 HydrophobicContact CD1-CG 4.09Å; Y12-Q175 HydrophobicContact CE1-CB 4.22Å; Y12-Q175 HydrophobicContact CE1-CG 4.49Å; R171-Q175 VanDerWaalsContact O-CG 3.31Å; R171-Q175 WeakPolarHBondContact O-CG 3.44Å; R171-Q175 PolarHBondContact O-N 3.38Å; Q172-Q175 WeakPolarHBondContact O-CB 3.4Å; Q172-Q175 PolarHBondContact O-N 3.35Å; Q172-Q175 VanDerWaalsContact O-N 3.09Å; H173-Q175 VanDerWaalsContact C-N 3.29Å; H173-Q175 PolarHBondContact O-N 3.25Å; Q175-S178 WeakPolarHBondContact O-CB 3.32Å; Q175-S178 PolarHBondContact O-N 3.48Å; Q175-L179 VanDerWaalsContact O-CG 3.29Å; Q175-L179 WeakPolarHBondContact O-CG 3.34Å; Q175-L179 PolarHBondContact O-N 2.99Å
176E96.8Very high96.8Very high110 Ų11047 Ų4751%0.51423%0.233SC..Hα-helixtrans-55-52.3170.7-68.5168.8162.900111.4Q172 H173 S178 L179 D180Q172-E176 WeakPolarHBondContact O-CG 3.5Å; Q172-E176 PolarHBondContact O-N 3.43Å; H173-E176 WeakPolarHBondContact CA-OE2 3.48Å; H173-E176 IonicContact CG-OE2 2.77Å; H173-E176 IonicContact ND1-OE2 2.78Å; H173-E176 PolarHBondContact ND1-OE2 3.29Å; H173-E176 PolarHBondContact O-N 3.13Å; E176-S178 VanDerWaalsContact C-N 3.27Å; E176-S178 PolarHBondContact O-N 2.91Å; E176-L179 WeakPolarHBondContact O-CB 3.41Å; E176-L179 PolarHBondContact O-N 2.7Å; E176-L179 VanDerWaalsContact O-N 3.11Å; E176-D180 PolarHBondContact O-N 2.96Å
177E97.4Very high96.8Very high12 Ų1245.1 Ų45.16%0.05622%0.224CC..Hα-helixtrans-64.4-30.9179.5-65.9-65.2162.800112.9K133 E137 H173 Y181K133-E177 WeakPolarHBondContact CD-OE2 3.46Å; K133-E177 WeakPolarHBondContact CE-OE1 3.4Å; K133-E177 WeakPolarHBondContact CE-OE2 3.33Å; K133-E177 VanDerWaalsContact CG-OE2 3.28Å; K133-E177 WeakPolarHBondContact CG-OE2 3.4Å; K133-E177 IonicContact NZ-OE1 3.83Å; K133-E177 PolarHBondContact NZ-OE1 3.26Å; K133-E177 IonicContact NZ-OE2 2.71Å; K133-E177 PolarHBondContact NZ-OE2 2.99Å; E137-E177 HydrophobicContact CB-CG 4.44Å; E137-E177 HydrophobicContact CG-CG 4.14Å; H173-E177 IonicContact CE1-OE1 2.92Å; H173-E177 PolarHBondContact CE1-OE1 3.1Å; H173-E177 VanDerWaalsContact CE1-OE1 3.24Å; H173-E177 IonicContact NE2-OE1 2.7Å; H173-E177 VanDerWaalsContact O-CG 3.24Å; H173-E177 WeakPolarHBondContact O-CG 3.26Å; H173-E177 PolarHBondContact O-N 3.42Å; E177-Y181 VanDerWaalsContact O-CB 3.29Å; E177-Y181 WeakPolarHBondContact O-CB 3.24Å; E177-Y181 PolarHBondContact O-N 2.88Å
178S97.7Very high96.8Very high0 Ų044.4 Ų44.40%022%0.22CC..Hα-helixtrans-67.9-41.7172.2-170.90000111.9C11 Y134 F174 Q175 E176 V182C11-S178 WeakPolarHBondContact CB-OG 3.43Å; Y134-S178 WeakPolarHBondContact CE2-OG 3.39Å; F174-S178 WeakPolarHBondContact O-CB 3.49Å; F174-S178 PolarHBondContact O-N 2.99Å; Q175-S178 WeakPolarHBondContact O-CB 3.32Å; Q175-S178 PolarHBondContact O-N 3.48Å; E176-S178 VanDerWaalsContact C-N 3.27Å; E176-S178 PolarHBondContact O-N 2.91Å; S178-V182 VanDerWaalsContact O-CB 3.27Å; S178-V182 WeakPolarHBondContact O-CB 3.48Å; S178-V182 WeakPolarHBondContact O-CG2 3.34Å; S178-V182 PolarHBondContact O-N 3.16Å
179L97.8Very high96.6Very high41 Ų4142.3 Ų42.322%0.21521%0.21CC..Hα-helixtrans-65.7-47.3177.4-68.1165.4000111F8 C11 Y12 Q175 E176 Y181 V182 C183F8-L179 HydrophobicContact CB-CD2 3.64Å; F8-L179 HydrophobicContact CD1-CD2 3.63Å; F8-L179 HydrophobicContact CG-CD2 3.99Å; C11-L179 HydrophobicContact CB-CD2 3.89Å; C11-L179 HydrophobicContact CB-CG 4.19Å; Y12-L179 HydrophobicContact CE2-CD1 4.32Å; Y12-L179 HydrophobicContact CE2-CD2 4.3Å; Q175-L179 VanDerWaalsContact O-CG 3.29Å; Q175-L179 WeakPolarHBondContact O-CG 3.34Å; Q175-L179 PolarHBondContact O-N 2.99Å; E176-L179 WeakPolarHBondContact O-CB 3.41Å; E176-L179 PolarHBondContact O-N 2.7Å; E176-L179 VanDerWaalsContact O-N 3.11Å; L179-Y181 PolarHBondContact O-N 3.18Å; L179-V182 PolarHBondContact O-N 3.11Å; L179-C183 VanDerWaalsContact O-CB 3.3Å; L179-C183 WeakPolarHBondContact O-CB 3.42Å; L179-C183 PolarHBondContact O-N 3.33Å
180D97.1Very high96.4Very high93 Ų9343.1 Ų43.150%0.49721%0.208SC..Hα-helixtrans-57.5-48.6176-921.9000111.4E176 V182 C183 K184E176-D180 PolarHBondContact O-N 2.96Å; D180-V182 PolarHBondContact O-N 3Å; D180-C183 WeakPolarHBondContact O-CB 3.39Å; D180-C183 PolarHBondContact O-N 2.99Å; D180-K184 WeakPolarHBondContact O-CB 3.33Å; D180-K184 PolarHBondContact O-N 2.94Å
181Y98Very high96.3Very high5 Ų544.9 Ų44.92%0.0221%0.213CC..Hα-helixtrans-65.1-41.3-179.4-177.6-129.5000112.4I22 E26 E130 R131 Y134 E177 L179 K184 L185I22-Y181 HydrophobicContact CG2-CE1 4Å; E26-Y181 WeakPolarHBondContact CG-OH 3.39Å; E26-Y181 PolarHBondContact OE1-OH 3.44Å; E130-Y181 HydrophobicContact CB-CD2 4.05Å; R131-Y181 VanDerWaalsContact CA-CE2 3.49Å; R131-Y181 HydrophobicContact CB-CE2 3.72Å; Y134-Y181 AromaticContact CD1-CD1 3.29Å; Y134-Y181 HydrophobicContact CD1-CD1 3.29Å; Y134-Y181 AromaticContact CD1-CE1 3.59Å; Y134-Y181 HydrophobicContact CD1-CE1 3.59Å; Y134-Y181 HydrophobicContact CD1-CG 4.23Å; Y134-Y181 HydrophobicContact CD2-CD1 4.31Å; Y134-Y181 AromaticContact CE1-CD1 3.74Å; Y134-Y181 HydrophobicContact CE1-CD1 3.74Å; Y134-Y181 AromaticContact CE1-CE1 3.94Å; Y134-Y181 HydrophobicContact CE1-CE1 3.94Å; Y134-Y181 AromaticContact CG-CD1 3.6Å; Y134-Y181 HydrophobicContact CG-CD1 3.6Å; Y134-Y181 HydrophobicContact CG-CE1 4.32Å; Y134-Y181 HydrophobicContact CG-CG 4.14Å; E177-Y181 VanDerWaalsContact O-CB 3.29Å; E177-Y181 WeakPolarHBondContact O-CB 3.24Å; E177-Y181 PolarHBondContact O-N 2.88Å; L179-Y181 PolarHBondContact O-N 3.18Å; Y181-K184 PolarHBondContact O-N 2.84Å; Y181-L185 HydrophobicContact CD1-CD1 4.23Å; Y181-L185 HydrophobicContact CD2-CG 4.34Å; Y181-L185 HydrophobicContact CE1-CD1 3.79Å; Y181-L185 HydrophobicContact CE1-CG 4.33Å; Y181-L185 HydrophobicContact CE2-CD1 4.29Å; Y181-L185 HydrophobicContact CE2-CD2 4.01Å; Y181-L185 HydrophobicContact CE2-CG 3.93Å; Y181-L185 WeakPolarHBondContact O-CG 3.47Å; Y181-L185 PolarHBondContact O-N 3.11Å
182V97.6Very high96.1Very high0 Ų042.6 Ų42.60%021%0.205CC..Hα-helixtrans-67.1-37.2176.9164.40000112.3L6 F8 F18 I22 S178 L179 D180 Q186L6-V182 HydrophobicContact CB-CG1 3.53Å; L6-V182 HydrophobicContact CD1-CG1 4.24Å; L6-V182 HydrophobicContact CD1-CG2 4.41Å; F8-V182 HydrophobicContact CD1-CG1 3.99Å; F8-V182 HydrophobicContact CE1-CB 4.47Å; F8-V182 HydrophobicContact CE1-CG1 3.91Å; F18-V182 HydrophobicContact CE2-CG2 4.28Å; F18-V182 HydrophobicContact CZ-CG2 3.8Å; I22-V182 HydrophobicContact CD1-CG2 4.15Å; S178-V182 VanDerWaalsContact O-CB 3.27Å; S178-V182 WeakPolarHBondContact O-CB 3.48Å; S178-V182 WeakPolarHBondContact O-CG2 3.34Å; S178-V182 PolarHBondContact O-N 3.16Å; L179-V182 PolarHBondContact O-N 3.11Å; D180-V182 PolarHBondContact O-N 3Å; V182-Q186 WeakPolarHBondContact O-CG 3.27Å; V182-Q186 PolarHBondContact O-N 2.89Å; V182-Q186 PolarHBondContact O-NE2 3.37Å
183C96.5Very high95.9Very high65 Ų6543.8 Ų43.844%0.43921%0.209SC..Hα-helixtrans-61.5-49.4171-171.40000110.4F8 L179 D180 L185 Q186 E187F8-C183 HydrophobicContact CE1-CB 4.08Å; F8-C183 HydrophobicContact CZ-CB 4.21Å; L179-C183 VanDerWaalsContact O-CB 3.3Å; L179-C183 WeakPolarHBondContact O-CB 3.42Å; L179-C183 PolarHBondContact O-N 3.33Å; D180-C183 WeakPolarHBondContact O-CB 3.39Å; D180-C183 PolarHBondContact O-N 2.99Å; C183-L185 PolarHBondContact O-N 3.06Å; C183-Q186 PolarHBondContact O-N 3.42Å; C183-E187 PolarHBondContact O-N 2.87Å
184K96.6Very high95.8Very high37 Ų3745.1 Ų45.116%0.16121%0.214CC..Hα-helixtrans-64.1-37.1-179.2-167.471.6-155.2168.80113.3S126 D180 Y181 E187 I188S126-K184 WeakPolarHBondContact OG-CE 3.49Å; D180-K184 WeakPolarHBondContact O-CB 3.33Å; D180-K184 PolarHBondContact O-N 2.94Å; Y181-K184 PolarHBondContact O-N 2.84Å; K184-E187 WeakPolarHBondContact CD-OE2 3.22Å; K184-E187 WeakPolarHBondContact CE-OE2 3.5Å; K184-E187 IonicContact NZ-OE1 3.24Å; K184-E187 PolarHBondContact NZ-OE1 2.99Å; K184-E187 IonicContact NZ-OE2 3.06Å; K184-E187 PolarHBondContact NZ-OE2 2.79Å; K184-I188 HydrophobicContact CG-CD1 4.21Å; K184-I188 WeakPolarHBondContact O-CG1 3.25Å; K184-I188 PolarHBondContact O-N 2.92Å
185L96.8Very high95.7Very high1 Ų146.9 Ų46.91%0.00522%0.223CC..Hα-helixtrans-60.1-48172.7-76.5177.7000111.3L6 I22 H25 L29 Y181 C183 I188 Q189L6-L185 HydrophobicContact CD1-CB 4.22Å; L6-L185 HydrophobicContact CD1-CD1 3.93Å; I22-L185 HydrophobicContact CG2-CD1 4.13Å; H25-L185 HydrophobicContact CB-CD1 4.32Å; L29-L185 HydrophobicContact CD1-CD2 3.58Å; Y181-L185 HydrophobicContact CD1-CD1 4.23Å; Y181-L185 HydrophobicContact CD2-CG 4.34Å; Y181-L185 HydrophobicContact CE1-CD1 3.79Å; Y181-L185 HydrophobicContact CE1-CG 4.33Å; Y181-L185 HydrophobicContact CE2-CD1 4.29Å; Y181-L185 HydrophobicContact CE2-CD2 4.01Å; Y181-L185 HydrophobicContact CE2-CG 3.93Å; Y181-L185 WeakPolarHBondContact O-CG 3.47Å; Y181-L185 PolarHBondContact O-N 3.11Å; C183-L185 PolarHBondContact O-N 3.06Å; L185-I188 PolarHBondContact O-N 3.47Å; L185-Q189 VanDerWaalsContact O-CG 3.29Å; L185-Q189 WeakPolarHBondContact O-CG 3.32Å; L185-Q189 PolarHBondContact O-N 2.89Å; L185-Q189 VanDerWaalsContact O-N 3.12Å
186Q94.9Very high95.5Very high56 Ų5646.7 Ų46.726%0.26223%0.225SC..Hα-helixtrans-69.4-39.9-178.5-68.3-178106.700112L6 V182 C183 I188 Q189 E190L6-Q186 HydrophobicContact CB-CG 4.43Å; L6-Q186 HydrophobicContact CD1-CG 4.41Å; L6-Q186 PolarHBondContact O-NE2 3.12Å; L6-Q186 VanDerWaalsContact O-NE2 3.08Å; V182-Q186 WeakPolarHBondContact O-CG 3.27Å; V182-Q186 PolarHBondContact O-N 2.89Å; V182-Q186 PolarHBondContact O-NE2 3.37Å; C183-Q186 PolarHBondContact O-N 3.42Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; Q186-I188 PolarHBondContact O-N 3.3Å; Q186-Q189 PolarHBondContact O-N 3.19Å; Q186-E190 PolarHBondContact O-N 2.78Å; Q186-E190 VanDerWaalsContact O-N 3.14Å
187E94.8Very high95.3Very high67 Ų6745.5 Ų45.531%0.31323%0.225SC..Hα-helixtrans-52.6-50.1172.6-170.7-151.7148.700111C183 K184 Q189 E190 R191C183-E187 PolarHBondContact O-N 2.87Å; K184-E187 WeakPolarHBondContact CD-OE2 3.22Å; K184-E187 WeakPolarHBondContact CE-OE2 3.5Å; K184-E187 IonicContact NZ-OE1 3.24Å; K184-E187 PolarHBondContact NZ-OE1 2.99Å; K184-E187 IonicContact NZ-OE2 3.06Å; K184-E187 PolarHBondContact NZ-OE2 2.79Å; E187-Q189 PolarHBondContact O-N 2.87Å; E187-E190 PolarHBondContact O-N 2.95Å; E187-R191 HydrophobicContact CG-CG 4.24Å; E187-R191 WeakPolarHBondContact O-CB 3.38Å; E187-R191 VanDerWaalsContact O-CG 3.24Å; E187-R191 WeakPolarHBondContact O-CG 3.35Å; E187-R191 PolarHBondContact O-N 2.82Å; E187-R191 WeakPolarHBondContact OE1-CD 3.43Å; E187-R191 IonicContact OE1-CZ 3.91Å; E187-R191 IonicContact OE1-NE 2.7Å; E187-R191 IonicContact OE1-NH1 2.73Å; E187-R191 PolarHBondContact OE1-NH1 3.08Å
188I95.8Very high95.3Very high0 Ų050.8 Ų50.80%025%0.249CC..Hα-helixtrans-71.1-34.1-175.5-64.1172.7000112L29 F119 Q123 L124 A127 K184 L185 Q186 E190 R191 K192L29-I188 HydrophobicContact CD1-CG2 4.34Å; L29-I188 HydrophobicContact CD2-CB 4.33Å; L29-I188 HydrophobicContact CD2-CG2 3.53Å; F119-I188 HydrophobicContact CZ-CG2 4.07Å; Q123-I188 HydrophobicContact CB-CD1 4.35Å; Q123-I188 HydrophobicContact CB-CG1 4.29Å; Q123-I188 VanDerWaalsContact O-CD1 3.24Å; Q123-I188 WeakPolarHBondContact O-CD1 3.47Å; L124-I188 HydrophobicContact CD2-CG2 3.79Å; A127-I188 HydrophobicContact CB-CD1 3.64Å; K184-I188 HydrophobicContact CG-CD1 4.21Å; K184-I188 WeakPolarHBondContact O-CG1 3.25Å; K184-I188 PolarHBondContact O-N 2.92Å; L185-I188 PolarHBondContact O-N 3.47Å; Q186-I188 VanDerWaalsContact C-N 3.33Å; Q186-I188 PolarHBondContact O-N 3.3Å; I188-E190 VanDerWaalsContact C-N 3.27Å; I188-E190 PolarHBondContact O-N 3.5Å; I188-R191 PolarHBondContact O-N 3.09Å; I188-K192 PolarHBondContact O-N 3Å
189Q92.9Very high95.2Very high15 Ų1551.2 Ų51.27%0.0725%0.252CS..Hα-helixtrans-64.7-30.4175.4-73.9-67.3-16.900113L3 E28 L29 L185 Q186 E187 K192L3-Q189 HydrophobicContact CD1-CG 4.41Å; E28-Q189 PolarHBondContact OE2-NE2 3.4Å; E28-Q189 PolarHBondContact OE2-OE1 2.89Å; L29-Q189 HydrophobicContact CD2-CG 4.48Å; L29-Q189 VanDerWaalsContact CD2-NE2 3.34Å; L185-Q189 VanDerWaalsContact O-CG 3.29Å; L185-Q189 WeakPolarHBondContact O-CG 3.32Å; L185-Q189 PolarHBondContact O-N 2.89Å; L185-Q189 VanDerWaalsContact O-N 3.12Å; Q186-Q189 PolarHBondContact O-N 3.19Å; E187-Q189 PolarHBondContact O-N 2.87Å; Q189-K192 WeakPolarHBondContact O-CE 3.03Å; Q189-K192 WeakPolarHBondContact O-CG 3.27Å; Q189-K192 VanDerWaalsContact OE1-CE 3.31Å
190E92.5Very high95Very high104 Ų10451.4 Ų51.449%0.48625%0.253SS..Hα-helixtrans-79.8-49.9169.6-67.2-54.3119.900111.8Q186 E187 I188 K192 K193Q186-E190 PolarHBondContact O-N 2.78Å; Q186-E190 VanDerWaalsContact O-N 3.14Å; E187-E190 PolarHBondContact O-N 2.95Å; I188-E190 VanDerWaalsContact C-N 3.27Å; I188-E190 PolarHBondContact O-N 3.5Å; E190-K192 VanDerWaalsContact C-N 3.32Å; E190-K192 PolarHBondContact O-N 3.48Å; E190-K193 WeakPolarHBondContact O-CB 3.4Å; E190-K193 VanDerWaalsContact O-CG 3.26Å; E190-K193 WeakPolarHBondContact O-CG 3.22Å; E190-K193 PolarHBondContact O-N 3.46Å; E190-K193 WeakPolarHBondContact OE1-CE 3.29Å; E190-K193 IonicContact OE1-NZ 2.62Å; E190-K193 PolarHBondContact OE1-NZ 3.03Å; E190-K193 WeakPolarHBondContact OE2-CE 3.34Å; E190-K193 IonicContact OE2-NZ 2.66Å; E190-K193 PolarHBondContact OE2-NZ 3.23Å
191R94.6Very high95Very high69 Ų6953 Ų5326%0.2626%0.26SS..Hα-helixtrans-56.2-40-176.2-76.7-177.772.9131.120.7114.4F119 E187 I188 K193 F194 D195F119-R191 HydrophobicContact CE2-CB 4.27Å; E187-R191 HydrophobicContact CG-CG 4.24Å; E187-R191 WeakPolarHBondContact O-CB 3.38Å; E187-R191 VanDerWaalsContact O-CG 3.24Å; E187-R191 WeakPolarHBondContact O-CG 3.35Å; E187-R191 PolarHBondContact O-N 2.82Å; E187-R191 WeakPolarHBondContact OE1-CD 3.43Å; E187-R191 IonicContact OE1-CZ 3.91Å; E187-R191 IonicContact OE1-NE 2.7Å; E187-R191 IonicContact OE1-NH1 2.73Å; E187-R191 PolarHBondContact OE1-NH1 3.08Å; I188-R191 PolarHBondContact O-N 3.09Å; R191-K193 PolarHBondContact O-N 3.5Å; R191-F194 HydrophobicContact CB-CZ 4.17Å; R191-F194 HydrophobicContact CG-CE1 4.4Å; R191-F194 HydrophobicContact CG-CE2 4.33Å; R191-F194 HydrophobicContact CG-CZ 3.76Å; R191-F194 PolarHBondContact O-N 3.07Å; R191-D195 IonicContact CZ-OD2 2.69Å; R191-D195 IonicContact NE-OD2 2.82Å; R191-D195 PolarHBondContact NE-OD2 3.35Å; R191-D195 IonicContact NH2-OD1 2.67Å; R191-D195 IonicContact NH2-OD2 2.87Å; R191-D195 PolarHBondContact NH2-OD2 3.3Å; R191-D195 WeakPolarHBondContact O-CB 2.77Å; R191-D195 PolarHBondContact O-N 2.99Å
192K93.2Very high94.9Very high41 Ų4154.4 Ų54.418%0.17827%0.273CS..Hα-helixtrans-56-23.4178.376.6-175.2-172.4-179.80113.1E28 F119 I188 Q189 E190 F194 C196E28-K192 IonicContact OE1-NZ 2.75Å; E28-K192 PolarHBondContact OE1-NZ 2.99Å; E28-K192 IonicContact OE2-NZ 2.86Å; E28-K192 PolarHBondContact OE2-NZ 3.5Å; F119-K192 HydrophobicContact CE1-CB 4.32Å; F119-K192 HydrophobicContact CE2-CB 4.45Å; F119-K192 HydrophobicContact CZ-CB 3.71Å; I188-K192 PolarHBondContact O-N 3Å; Q189-K192 WeakPolarHBondContact O-CE 3.03Å; Q189-K192 WeakPolarHBondContact O-CG 3.27Å; Q189-K192 VanDerWaalsContact OE1-CE 3.31Å; E190-K192 VanDerWaalsContact C-N 3.32Å; E190-K192 PolarHBondContact O-N 3.48Å; K192-F194 VanDerWaalsContact C-N 3.28Å; K192-F194 PolarHBondContact O-N 3.11Å; K192-C196 VanDerWaalsContact O-CB 3.32Å; K192-C196 WeakPolarHBondContact O-CB 3.4Å; K192-C196 PolarHBondContact O-N 3.35Å
193K92.6Very high94.8Very high116 Ų11656.1 Ų56.150%0.50428%0.28SS..Hα-helixtrans-68.1-26.2-179.9-58.6175.4-172.8174.60112.7E190 R191 V197E190-K193 WeakPolarHBondContact O-CB 3.4Å; E190-K193 VanDerWaalsContact O-CG 3.26Å; E190-K193 WeakPolarHBondContact O-CG 3.22Å; E190-K193 PolarHBondContact O-N 3.46Å; E190-K193 WeakPolarHBondContact OE1-CE 3.29Å; E190-K193 IonicContact OE1-NZ 2.62Å; E190-K193 PolarHBondContact OE1-NZ 3.03Å; E190-K193 WeakPolarHBondContact OE2-CE 3.34Å; E190-K193 IonicContact OE2-NZ 2.66Å; E190-K193 PolarHBondContact OE2-NZ 3.23Å; R191-K193 PolarHBondContact O-N 3.5Å; K193-V197 WeakPolarHBondContact O-CB 3.26Å; K193-V197 WeakPolarHBondContact O-CG2 3.23Å
194F94.9Very high94.8Very high90 Ų9058.1 Ų58.140%0.39528%0.282SS..Hα-helixtrans-114.8-49.517653.5-95.4000112.1R191 K192 C196 V197 E198R191-F194 HydrophobicContact CB-CZ 4.17Å; R191-F194 HydrophobicContact CG-CE1 4.4Å; R191-F194 HydrophobicContact CG-CE2 4.33Å; R191-F194 HydrophobicContact CG-CZ 3.76Å; R191-F194 PolarHBondContact O-N 3.07Å; K192-F194 VanDerWaalsContact C-N 3.28Å; K192-F194 PolarHBondContact O-N 3.11Å; F194-C196 PolarHBondContact O-N 3.37Å; F194-V197 PolarHBondContact O-N 3.44Å; F194-E198 HydrophobicContact CB-CG 4.38Å; F194-E198 PolarHBondContact O-N 3.25Å
195D94.4Very high94.8Very high39 Ų3961.7 Ų61.721%0.20930%0.299CS..Hα-helixtrans-57.2-19.3-178.8-78.4-24.2000113.1F119 R191F119-D195 HydrophobicContact CD2-CB 3.38Å; F119-D195 HydrophobicContact CE2-CB 3.78Å; F119-D195 HydrophobicContact CG-CB 4.21Å; R191-D195 IonicContact CZ-OD2 2.69Å; R191-D195 IonicContact NE-OD2 2.82Å; R191-D195 PolarHBondContact NE-OD2 3.35Å; R191-D195 IonicContact NH2-OD1 2.67Å; R191-D195 IonicContact NH2-OD2 2.87Å; R191-D195 PolarHBondContact NH2-OD2 3.3Å; R191-D195 WeakPolarHBondContact O-CB 2.77Å; R191-D195 PolarHBondContact O-N 2.99Å
196C92.4Very high94.8Very high20 Ų2062.4 Ų62.414%0.13530%0.303CS..THydrogen-bonded Turntrans-109-13.2173.6-60.60000115.2F119 K192 F194 M200F119-C196 WeakPolarHBondContact CD1-SG 3.29Å; F119-C196 VanDerWaalsContact CE1-SG 3.55Å; K192-C196 VanDerWaalsContact O-CB 3.32Å; K192-C196 WeakPolarHBondContact O-CB 3.4Å; K192-C196 PolarHBondContact O-N 3.35Å; F194-C196 PolarHBondContact O-N 3.37Å; C196-M200 WeakPolarHBondContact O-CE 3.16Å; C196-M200 WeakPolarHBondContact O-CG 3.2Å
197V94.1Very high94.9Very high85 Ų8560.8 Ų60.852%0.51530%0.298SS..THydrogen-bonded Turntrans-102.6-38.8-174.9179.40000112K193 F194 P199 M200 L201K193-V197 WeakPolarHBondContact O-CB 3.26Å; K193-V197 WeakPolarHBondContact O-CG2 3.23Å; F194-V197 PolarHBondContact O-N 3.44Å; V197-P199 VanDerWaalsContact C-CD 3.49Å; V197-P199 VanDerWaalsContact C-N 3.33Å; V197-M200 WeakPolarHBondContact O-CA 3.49Å; V197-M200 WeakPolarHBondContact O-CB 3.21Å; V197-M200 PolarHBondContact O-N 3.09Å; V197-L201 PolarHBondContact O-N 2.97Å
198E96.1Very high95.1Very high123 Ų12363.4 Ų63.458%0.57531%0.308SS*.Hα-helixtrans-57.1-39.9173.3-63.2177.8174.100112.6F194 M200 L201 A202F194-E198 HydrophobicContact CB-CG 4.38Å; F194-E198 PolarHBondContact O-N 3.25Å; E198-M200 VanDerWaalsContact C-N 3.27Å; E198-M200 PolarHBondContact O-N 3.34Å; E198-L201 PolarHBondContact O-N 3.04Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 2.91Å
199P96.2Very high95.2Very high8 Ų867 Ų675%0.05233%0.33CS..Hα-helixtrans-59.3-32.8171.5-2737.9000114.1T111 L112 P115 V197 F203T111-P199 WeakPolarHBondContact O-CA 3.42Å; T111-P199 WeakPolarHBondContact O-CB 3.33Å; L112-P199 HydrophobicContact CD1-CB 4.01Å; L112-P199 WeakPolarHBondContact CD1-O 3.45Å; P115-P199 HydrophobicContact CB-CB 4.22Å; P115-P199 HydrophobicContact CB-CG 3.63Å; P115-P199 HydrophobicContact CG-CG 4.42Å; V197-P199 VanDerWaalsContact C-CD 3.49Å; V197-P199 VanDerWaalsContact C-N 3.33Å; P199-F203 WeakPolarHBondContact O-CB 3.3Å; P199-F203 PolarHBondContact O-N 3.36Å
200M94.3Very high95.4Very high46 Ų4667 Ų6723%0.22733%0.33CS..Hα-helixtrans-71.7-43176.5-55.1-63.2147.200111.1L39 L112 L116 C196 V197 E198 A202 F203 F204L39-M200 HydrophobicContact CD2-CE 3.47Å; L39-M200 VanDerWaalsContact CD2-CE 3.47Å; L39-M200 HydrophobicContact CD2-SD 4.14Å; L39-M200 HydrophobicContact CG-CE 4.43Å; L112-M200 HydrophobicContact CD1-CE 3.65Å; L112-M200 HydrophobicContact CD1-SD 3.72Å; L116-M200 HydrophobicContact CD1-CE 3.78Å; L116-M200 HydrophobicContact CD2-CE 3.76Å; L116-M200 HydrophobicContact CG-CE 4.23Å; C196-M200 WeakPolarHBondContact O-CE 3.16Å; C196-M200 WeakPolarHBondContact O-CG 3.2Å; V197-M200 WeakPolarHBondContact O-CA 3.49Å; V197-M200 WeakPolarHBondContact O-CB 3.21Å; V197-M200 PolarHBondContact O-N 3.09Å; E198-M200 VanDerWaalsContact C-N 3.27Å; E198-M200 PolarHBondContact O-N 3.34Å; M200-A202 VanDerWaalsContact C-N 3.34Å; M200-F203 WeakPolarHBondContact O-CB 3.32Å; M200-F203 PolarHBondContact O-N 2.93Å; M200-F204 VanDerWaalsContact O-CD2 3.23Å; M200-F204 WeakPolarHBondContact O-CD2 3.28Å; M200-F204 PolarHBondContact O-N 2.96Å
201L96Very high95.6Very high126 Ų12669.7 Ų69.766%0.6634%0.337SS*.Hα-helixtrans-61.9-44.2176.2-177.561000110.8V197 E198 F203 F204 Q205V197-L201 PolarHBondContact O-N 2.97Å; E198-L201 PolarHBondContact O-N 3.04Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3.35Å; L201-F204 PolarHBondContact O-N 2.99Å; L201-Q205 WeakPolarHBondContact O-CB 3.09Å; L201-Q205 PolarHBondContact O-N 3.28Å
202A96.2Very high95.8Very high35 Ų3572 Ų7229%0.28935%0.35SS..Hα-helixtrans-65.6-33.8175.800000113T111 E198 M200 T206T111-A202 HydrophobicContact CG2-CB 4.38Å; E198-A202 WeakPolarHBondContact O-CB 3.38Å; E198-A202 PolarHBondContact O-N 2.91Å; M200-A202 VanDerWaalsContact C-N 3.34Å; A202-T206 WeakPolarHBondContact O-CB 3.23Å; A202-T206 PolarHBondContact O-N 3.3Å; A202-T206 PolarHBondContact O-OG1 3.4Å
203F95.5Very high96Very high35 Ų3573.4 Ų73.415%0.15436%0.358CS..Hα-helixtrans-61.4-53.5170.1165.8-96.6000111.7L46 I108 L112 P199 M200 L201 Q205 T206 V207L46-F203 HydrophobicContact CD2-CE2 4.23Å; L46-F203 HydrophobicContact CD2-CZ 4.26Å; I108-F203 HydrophobicContact CD1-CD2 4.14Å; I108-F203 HydrophobicContact CD1-CE2 3.91Å; I108-F203 HydrophobicContact CG1-CD2 3.87Å; I108-F203 HydrophobicContact CG1-CE2 4.17Å; I108-F203 HydrophobicContact CG2-CD2 3.92Å; I108-F203 HydrophobicContact CG2-CE2 4.22Å; L112-F203 HydrophobicContact CB-CB 4.25Å; L112-F203 HydrophobicContact CD1-CB 4.22Å; L112-F203 HydrophobicContact CD2-CB 4.14Å; L112-F203 HydrophobicContact CD2-CD2 3.7Å; L112-F203 HydrophobicContact CD2-CE2 4.36Å; L112-F203 HydrophobicContact CD2-CG 4.01Å; L112-F203 HydrophobicContact CG-CB 4.44Å; P199-F203 WeakPolarHBondContact O-CB 3.3Å; P199-F203 PolarHBondContact O-N 3.36Å; M200-F203 WeakPolarHBondContact O-CB 3.32Å; M200-F203 PolarHBondContact O-N 2.93Å; L201-F203 VanDerWaalsContact C-N 3.34Å; L201-F203 PolarHBondContact O-N 3.35Å; F203-Q205 VanDerWaalsContact C-N 3.35Å; F203-Q205 PolarHBondContact O-N 3.48Å; F203-T206 WeakPolarHBondContact O-CB 3.47Å; F203-T206 PolarHBondContact O-N 3.42Å; F203-T206 VanDerWaalsContact O-N 3.11Å; F203-V207 HydrophobicContact CD2-CG2 4.38Å; F203-V207 HydrophobicContact CE1-CG2 4.27Å; F203-V207 HydrophobicContact CE2-CG2 3.96Å; F203-V207 HydrophobicContact CZ-CG2 3.89Å; F203-V207 WeakPolarHBondContact O-CG2 3.45Å; F203-V207 PolarHBondContact O-N 3.06Å
204F96Very high96.2Very high107 Ų10768.6 Ų68.647%0.46934%0.341SS..Hα-helixtrans-61.7-42.7-180-79.3-68.3000111.8M200 L201 T206 V207 F208M200-F204 VanDerWaalsContact O-CD2 3.23Å; M200-F204 WeakPolarHBondContact O-CD2 3.28Å; M200-F204 PolarHBondContact O-N 2.96Å; L201-F204 PolarHBondContact O-N 2.99Å; F204-T206 VanDerWaalsContact C-N 3.3Å; F204-T206 PolarHBondContact O-N 3Å; F204-V207 PolarHBondContact O-N 2.87Å; F204-V207 VanDerWaalsContact O-N 3.16Å; F204-F208 HydrophobicContact CB-CE2 3.98Å; F204-F208 HydrophobicContact CB-CZ 4.23Å; F204-F208 HydrophobicContact CD1-CZ 4.21Å; F204-F208 VanDerWaalsContact O-CD2 3.25Å; F204-F208 WeakPolarHBondContact O-CD2 3.46Å; F204-F208 VanDerWaalsContact O-CG 3.22Å; F204-F208 WeakPolarHBondContact O-CG 3.5Å; F204-F208 PolarHBondContact O-N 2.81Å
205Q96.9Very high96.4Very high113 Ų11370.5 Ų70.553%0.52835%0.349SS..Hα-helixtrans-58.5-41.6173.8-175.157.649.700112.1L201 F203 V207 F208 T209L201-Q205 WeakPolarHBondContact O-CB 3.09Å; L201-Q205 PolarHBondContact O-N 3.28Å; F203-Q205 VanDerWaalsContact C-N 3.35Å; F203-Q205 PolarHBondContact O-N 3.48Å; Q205-V207 VanDerWaalsContact C-N 3.35Å; Q205-V207 PolarHBondContact O-N 3.37Å; Q205-F208 PolarHBondContact O-N 3.12Å; Q205-T209 PolarHBondContact NE2-OG1 3.13Å; Q205-T209 WeakPolarHBondContact O-CB 3.46Å; Q205-T209 PolarHBondContact O-N 3.38Å; Q205-T209 PolarHBondContact O-OG1 2.83Å; Q205-T209 VanDerWaalsContact O-OG1 3.06Å
206T97.4Very high96.5Very high15 Ų1571.9 Ų71.99%0.09235%0.354CS..Hα-helixtrans-62.6-40.9176.6-60.10000111.9M104 N107 I108 A202 F203 F204 F210M104-T206 HydrophobicContact CG-CG2 3.97Å; N107-T206 HydrophobicContact CB-CG2 3.5Å; I108-T206 HydrophobicContact CG1-CG2 3.9Å; A202-T206 WeakPolarHBondContact O-CB 3.23Å; A202-T206 PolarHBondContact O-N 3.3Å; A202-T206 PolarHBondContact O-OG1 3.4Å; F203-T206 WeakPolarHBondContact O-CB 3.47Å; F203-T206 PolarHBondContact O-N 3.42Å; F203-T206 VanDerWaalsContact O-N 3.11Å; F204-T206 VanDerWaalsContact C-N 3.3Å; F204-T206 PolarHBondContact O-N 3Å; T206-F210 PolarHBondContact O-N 2.95Å
207V96.5Very high96.7Very high23 Ų2372.3 Ų72.314%0.13936%0.355CS..Hα-helixtrans-68.8-42.6177.6171.10000111.5M104 I108 F203 F204 Q205 F210 Y211M104-V207 HydrophobicContact SD-CG2 4.35Å; I108-V207 HydrophobicContact CD1-CG2 4.32Å; F203-V207 HydrophobicContact CD2-CG2 4.38Å; F203-V207 HydrophobicContact CE1-CG2 4.27Å; F203-V207 HydrophobicContact CE2-CG2 3.96Å; F203-V207 HydrophobicContact CZ-CG2 3.89Å; F203-V207 WeakPolarHBondContact O-CG2 3.45Å; F203-V207 PolarHBondContact O-N 3.06Å; F204-V207 PolarHBondContact O-N 2.87Å; F204-V207 VanDerWaalsContact O-N 3.16Å; Q205-V207 VanDerWaalsContact C-N 3.35Å; Q205-V207 PolarHBondContact O-N 3.37Å; V207-F210 PolarHBondContact O-N 3.05Å; V207-Y211 HydrophobicContact CG1-CD2 3.82Å; V207-Y211 HydrophobicContact CG1-CE2 3.5Å; V207-Y211 VanDerWaalsContact O-CD2 3.27Å; V207-Y211 WeakPolarHBondContact O-CD2 3.37Å; V207-Y211 PolarHBondContact O-N 3.33Å; V207-Y211 VanDerWaalsContact O-N 3.1Å
208F97.9Very high96.8Very high121 Ų12170.5 Ų70.553%0.53135%0.349SS..Hα-helixtrans-65.3-39.8176.3-59.6-32.5000112.3F204 Q205 F210 Y211 H212F204-F208 HydrophobicContact CB-CE2 3.98Å; F204-F208 HydrophobicContact CB-CZ 4.23Å; F204-F208 HydrophobicContact CD1-CZ 4.21Å; F204-F208 VanDerWaalsContact O-CD2 3.25Å; F204-F208 WeakPolarHBondContact O-CD2 3.46Å; F204-F208 VanDerWaalsContact O-CG 3.22Å; F204-F208 WeakPolarHBondContact O-CG 3.5Å; F204-F208 PolarHBondContact O-N 2.81Å; Q205-F208 PolarHBondContact O-N 3.12Å; F208-F210 VanDerWaalsContact C-N 3.31Å; F208-F210 PolarHBondContact O-N 2.91Å; F208-Y211 PolarHBondContact O-N 3.13Å; F208-H212 PolarHBondContact O-N 3.42Å
209T97.8Very high96.8Very high76 Ų7668.3 Ų68.347%0.46634%0.341SS..Hα-helixtrans-59.8-39.7173.2-64.90000111.9Q205 Q213Q205-T209 PolarHBondContact NE2-OG1 3.13Å; Q205-T209 WeakPolarHBondContact O-CB 3.46Å; Q205-T209 PolarHBondContact O-N 3.38Å; Q205-T209 PolarHBondContact O-OG1 2.83Å; Q205-T209 VanDerWaalsContact O-OG1 3.06Å; T209-Q213 WeakPolarHBondContact O-CB 3.42Å; T209-Q213 PolarHBondContact O-N 2.83Å
210F97.8Very high96.7Very high16 Ų1673.8 Ų73.87%0.0737%0.37CS..Hα-helixtrans-63.4-47174.3169.3-101.4000112.5L97 Q100 R101 M104 T206 V207 F208 H212 Q213 G214L97-F210 HydrophobicContact CD1-CE2 4.41Å; L97-F210 HydrophobicContact CD1-CZ 4.37Å; Q100-F210 HydrophobicContact CB-CD2 4.08Å; Q100-F210 HydrophobicContact CB-CE2 4.15Å; R101-F210 HydrophobicContact CB-CE2 3.77Å; R101-F210 HydrophobicContact CB-CZ 4.17Å; R101-F210 HydrophobicContact CG-CE2 4.14Å; R101-F210 HydrophobicContact CG-CZ 4.13Å; M104-F210 HydrophobicContact CB-CB 3.99Å; M104-F210 HydrophobicContact CB-CD2 4.22Å; M104-F210 HydrophobicContact CB-CG 4.2Å; M104-F210 HydrophobicContact CG-CB 3.81Å; M104-F210 HydrophobicContact CG-CG 4.22Å; M104-F210 HydrophobicContact SD-CB 3.59Å; M104-F210 VanDerWaalsContact SD-CB 3.59Å; M104-F210 HydrophobicContact SD-CD1 3.67Å; M104-F210 HydrophobicContact SD-CD2 4.34Å; M104-F210 HydrophobicContact SD-CG 3.58Å; M104-F210 VanDerWaalsContact SD-CG 3.58Å; T206-F210 PolarHBondContact O-N 2.95Å; V207-F210 PolarHBondContact O-N 3.05Å; F208-F210 VanDerWaalsContact C-N 3.31Å; F208-F210 PolarHBondContact O-N 2.91Å; F210-H212 PolarHBondContact O-N 2.97Å; F210-Q213 PolarHBondContact O-N 2.93Å; F210-G214 PolarHBondContact O-N 3.4Å
211Y97.9Very high96.8Very high159 Ų15973.4 Ų73.462%0.62437%0.367SS*.Hα-helixtrans-63.1-41.6178.7-76.7-61.2000112.7V207 F208 G214 F215V207-Y211 HydrophobicContact CG1-CD2 3.82Å; V207-Y211 HydrophobicContact CG1-CE2 3.5Å; V207-Y211 VanDerWaalsContact O-CD2 3.27Å; V207-Y211 WeakPolarHBondContact O-CD2 3.37Å; V207-Y211 PolarHBondContact O-N 3.33Å; V207-Y211 VanDerWaalsContact O-N 3.1Å; F208-Y211 PolarHBondContact O-N 3.13Å; Y211-G214 PolarHBondContact O-N 3.47Å; Y211-F215 PolarHBondContact O-N 2.87Å
212H97.8Very high96.7Very high118 Ų11870 Ų7055%0.54635%0.35SS..Hα-helixtrans-61-47.1173.9174.837.8000111.7F208 F210 G214 F215 E216F208-H212 PolarHBondContact O-N 3.42Å; F210-H212 PolarHBondContact O-N 2.97Å; H212-G214 VanDerWaalsContact C-N 3.3Å; H212-G214 PolarHBondContact O-N 3Å; H212-F215 WeakPolarHBondContact O-CB 3.28Å; H212-F215 PolarHBondContact O-N 3.47Å; H212-F215 VanDerWaalsContact O-N 3.1Å; H212-E216 IonicContact CE1-OE1 2.72Å; H212-E216 PolarHBondContact CE1-OE1 3.47Å; H212-E216 IonicContact ND1-OE1 3.73Å; H212-E216 PolarHBondContact ND1-OE1 2.73Å; H212-E216 PolarHBondContact O-N 2.77Å
213Q97.6Very high96.5Very high71 Ų7175.4 Ų75.433%0.33237%0.369SS..Hα-helixtrans-64.2-34178.9-174.459.282.500112.9Q100 T209 F210 L217Q100-Q213 HydrophobicContact CB-CG 4.42Å; Q100-Q213 HydrophobicContact CG-CG 3.73Å; T209-Q213 WeakPolarHBondContact O-CB 3.42Å; T209-Q213 PolarHBondContact O-N 2.83Å; F210-Q213 PolarHBondContact O-N 2.93Å; Q213-L217 VanDerWaalsContact O-CG 3.31Å; Q213-L217 WeakPolarHBondContact O-CG 3.47Å; Q213-L217 PolarHBondContact O-N 2.82Å; Q213-L217 VanDerWaalsContact O-N 3.12Å
214G97.4Very high96.4Very high15 Ų1576.5 Ų76.516%0.15537%0.372CS..Hα-helixtrans-67-36.517200000113.3F210 Y211 H212 A218F210-G214 PolarHBondContact O-N 3.4Å; Y211-G214 PolarHBondContact O-N 3.47Å; H212-G214 VanDerWaalsContact C-N 3.3Å; H212-G214 PolarHBondContact O-N 3Å; G214-A218 WeakPolarHBondContact O-CB 3.35Å; G214-A218 PolarHBondContact O-N 2.86Å; G214-A218 VanDerWaalsContact O-N 3.12Å
215F97.7Very high96.3Very high129 Ų12976.4 Ų76.457%0.56637%0.372SS*.Hα-helixtrans-65.9-47.2173172.5-90.8000111.9Y211 H212 L217 A218 N219Y211-F215 PolarHBondContact O-N 2.87Å; H212-F215 WeakPolarHBondContact O-CB 3.28Å; H212-F215 PolarHBondContact O-N 3.47Å; H212-F215 VanDerWaalsContact O-N 3.1Å; F215-L217 PolarHBondContact O-N 3.39Å; F215-A218 PolarHBondContact O-N 2.89Å; F215-A218 VanDerWaalsContact O-N 3.13Å; F215-N219 WeakPolarHBondContact O-CB 3.34Å; F215-N219 PolarHBondContact O-N 3.18Å
216E97.5Very high96.1Very high68 Ų6876.4 Ų76.432%0.31837%0.37SS..Hα-helixtrans-60.1-44.5177.9-64-51.6134.500111.7H212 A218 N219 D220H212-E216 IonicContact CE1-OE1 2.72Å; H212-E216 PolarHBondContact CE1-OE1 3.47Å; H212-E216 IonicContact ND1-OE1 3.73Å; H212-E216 PolarHBondContact ND1-OE1 2.73Å; H212-E216 PolarHBondContact O-N 2.77Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.45Å; E216-N219 WeakPolarHBondContact O-CB 3.31Å; E216-N219 PolarHBondContact O-N 2.84Å; E216-N219 VanDerWaalsContact O-N 3.14Å; E216-D220 PolarHBondContact O-N 3.05Å
217L96.9Very high95.7Very high30 Ų3077.8 Ų77.816%0.15738%0.383CS..Hα-helixtrans-57.6-42.9174.3-75.1170.7000112F93 N96 Q100 Q213 F215 N219 F221F93-L217 HydrophobicContact CE2-CB 4.1Å; N96-L217 HydrophobicContact CB-CD2 4.42Å; Q100-L217 HydrophobicContact CG-CD1 4.16Å; Q213-L217 VanDerWaalsContact O-CG 3.31Å; Q213-L217 WeakPolarHBondContact O-CG 3.47Å; Q213-L217 PolarHBondContact O-N 2.82Å; Q213-L217 VanDerWaalsContact O-N 3.12Å; F215-L217 PolarHBondContact O-N 3.39Å; L217-N219 VanDerWaalsContact C-N 3.33Å; L217-F221 WeakPolarHBondContact O-CB 3.23Å; L217-F221 PolarHBondContact O-N 2.88Å; L217-F221 VanDerWaalsContact O-N 3.12Å
218A96.1Very high95.6Very high47 Ų4777 Ų7739%0.38838%0.378SS..Hα-helixtrans-69.6-31.1178.600000112.7F93 G214 F215 E216 N222F93-A218 HydrophobicContact CE2-CB 4.5Å; F93-A218 HydrophobicContact CZ-CB 4.34Å; G214-A218 WeakPolarHBondContact O-CB 3.35Å; G214-A218 PolarHBondContact O-N 2.86Å; G214-A218 VanDerWaalsContact O-N 3.12Å; F215-A218 PolarHBondContact O-N 2.89Å; F215-A218 VanDerWaalsContact O-N 3.13Å; E216-A218 VanDerWaalsContact C-N 3.31Å; E216-A218 PolarHBondContact O-N 3.45Å; A218-N222 PolarHBondContact O-N 2.8Å
219N95.9Very high95.4Very high76 Ų7676.7 Ų76.741%0.40638%0.378SS..Hα-helixtrans-71.1-47.2175.9-171.639.8000111.6F215 E216 L217 F221 N222F215-N219 WeakPolarHBondContact O-CB 3.34Å; F215-N219 PolarHBondContact O-N 3.18Å; E216-N219 WeakPolarHBondContact O-CB 3.31Å; E216-N219 PolarHBondContact O-N 2.84Å; E216-N219 VanDerWaalsContact O-N 3.14Å; L217-N219 VanDerWaalsContact C-N 3.33Å; N219-F221 VanDerWaalsContact C-N 3.28Å; N219-F221 PolarHBondContact O-N 2.81Å; N219-N222 WeakPolarHBondContact O-CB 3.14Å; N219-N222 PolarHBondContact O-N 2.86Å
220D94.6Very high94.9Very high124 Ų12477.9 Ų77.966%0.66338%0.381SS*.Hα-helixtrans-55.3-44.8172.5-85.2-22.3000111.3E216 N222E216-D220 PolarHBondContact O-N 3.05Å; D220-N222 PolarHBondContact O-N 3.23Å
221F95.8Very high94.6Very high37 Ų3778.6 Ų78.616%0.16239%0.385CS..Hα-helixtrans-67.3-19179.5-166.2-100.8000113.9F90 F93 L217 N219 H223 Y224 K225F90-F221 AromaticContact CD1-CE1 3.92Å; F90-F221 HydrophobicContact CD1-CE1 3.92Å; F90-F221 AromaticContact CD1-CZ 3.52Å; F90-F221 HydrophobicContact CD1-CZ 3.52Å; F90-F221 AromaticContact CE1-CE1 3.8Å; F90-F221 HydrophobicContact CE1-CE1 3.8Å; F90-F221 AromaticContact CE1-CZ 3.67Å; F90-F221 HydrophobicContact CE1-CZ 3.67Å; F93-F221 HydrophobicContact CB-CD2 4.07Å; F93-F221 HydrophobicContact CB-CE2 4.04Å; F93-F221 HydrophobicContact CD2-CB 3.85Å; F93-F221 HydrophobicContact CD2-CD1 4.45Å; F93-F221 AromaticContact CD2-CD2 3.93Å; F93-F221 HydrophobicContact CD2-CD2 3.93Å; F93-F221 AromaticContact CD2-CG 3.82Å; F93-F221 HydrophobicContact CD2-CG 3.82Å; F93-F221 HydrophobicContact CE2-CB 4.01Å; F93-F221 HydrophobicContact CE2-CG 4.32Å; F93-F221 HydrophobicContact CG-CD2 4.23Å; F93-F221 HydrophobicContact CG-CG 4.32Å; L217-F221 WeakPolarHBondContact O-CB 3.23Å; L217-F221 PolarHBondContact O-N 2.88Å; L217-F221 VanDerWaalsContact O-N 3.12Å; N219-F221 VanDerWaalsContact C-N 3.28Å; N219-F221 PolarHBondContact O-N 2.81Å; F221-H223 VanDerWaalsContact C-N 3.27Å; F221-H223 PolarHBondContact O-N 3.43Å; F221-Y224 HydrophobicContact CD2-CD1 4.37Å; F221-Y224 HydrophobicContact CE1-CD1 4.25Å; F221-Y224 AromaticContact CE2-CD1 3.62Å; F221-Y224 HydrophobicContact CE2-CD1 3.62Å; F221-Y224 HydrophobicContact CE2-CE1 4.25Å; F221-Y224 HydrophobicContact CE2-CG 4.4Å; F221-Y224 AromaticContact CZ-CD1 3.53Å; F221-Y224 HydrophobicContact CZ-CD1 3.53Å; F221-Y224 AromaticContact CZ-CE1 3.99Å; F221-Y224 HydrophobicContact CZ-CE1 3.99Å; F221-Y224 PolarHBondContact O-N 2.77Å; F221-K225 HydrophobicContact CD1-CB 4.4Å; F221-K225 HydrophobicContact CE1-CB 4.4Å; F221-K225 PolarHBondContact O-N 2.79Å
222N92.6Very high94.3Very high54 Ų5474.3 Ų74.329%0.28937%0.372SS..Hα-helixtrans-62.7-31.7-177.1-163.811.5000112.8A218 N219 D220 K226A218-N222 PolarHBondContact O-N 2.8Å; N219-N222 WeakPolarHBondContact O-CB 3.14Å; N219-N222 PolarHBondContact O-N 2.86Å; D220-N222 PolarHBondContact O-N 3.23Å; N222-K226 WeakPolarHBondContact O-CG 3.34Å; N222-K226 PolarHBondContact O-N 3.46Å; N222-K226 VanDerWaalsContact O-N 3.11Å; N222-K226 WeakPolarHBondContact OD1-CE 3.35Å
223H92.3Very high93.9Very high150 Ų15073.4 Ų73.469%0.69437%0.368SS*.Hα-helixtrans-65.5-46.8174.7-76.5-84.1000111.9F221 K226 A227F221-H223 VanDerWaalsContact C-N 3.27Å; F221-H223 PolarHBondContact O-N 3.43Å; H223-K226 PolarHBondContact O-N 3.12Å; H223-A227 PolarHBondContact O-N 2.96Å
224Y94.8Very high93.4Very high57 Ų5771.4 Ų71.422%0.22436%0.36CS..Hα-helixtrans-63.4-45.9176176-96.7000111.4S86 E89 F221 K226 A227 L228S86-Y224 WeakPolarHBondContact CA-OH 3.44Å; S86-Y224 WeakPolarHBondContact CB-OH 3.39Å; E89-Y224 HydrophobicContact CB-CE1 3.98Å; E89-Y224 HydrophobicContact CG-CE2 4.38Å; F221-Y224 HydrophobicContact CD2-CD1 4.37Å; F221-Y224 HydrophobicContact CE1-CD1 4.25Å; F221-Y224 AromaticContact CE2-CD1 3.62Å; F221-Y224 HydrophobicContact CE2-CD1 3.62Å; F221-Y224 HydrophobicContact CE2-CE1 4.25Å; F221-Y224 HydrophobicContact CE2-CG 4.4Å; F221-Y224 AromaticContact CZ-CD1 3.53Å; F221-Y224 HydrophobicContact CZ-CD1 3.53Å; F221-Y224 AromaticContact CZ-CE1 3.99Å; F221-Y224 HydrophobicContact CZ-CE1 3.99Å; F221-Y224 PolarHBondContact O-N 2.77Å; Y224-K226 VanDerWaalsContact C-N 3.32Å; Y224-K226 PolarHBondContact O-N 3.33Å; Y224-A227 PolarHBondContact O-N 3Å; Y224-L228 HydrophobicContact CE1-CB 4.3Å; Y224-L228 HydrophobicContact CE1-CD2 3.87Å; Y224-L228 WeakPolarHBondContact O-CB 3.42Å; Y224-L228 PolarHBondContact O-N 3.07Å
225K92.6Very high93.1Very high106 Ų10672.4 Ų72.446%0.46136%0.363SS..Hα-helixtrans-52-47.3176.1178.8-178.1175.5-177.80112.3F221 L228 Q229F221-K225 HydrophobicContact CD1-CB 4.4Å; F221-K225 HydrophobicContact CE1-CB 4.4Å; F221-K225 PolarHBondContact O-N 2.79Å; K225-L228 PolarHBondContact O-N 3.2Å; K225-Q229 VanDerWaalsContact O-CG 3.32Å; K225-Q229 WeakPolarHBondContact O-CG 3.4Å; K225-Q229 PolarHBondContact O-N 3.41Å
226K92.3Very high92.7Very high113 Ų11373 Ų7349%0.49136%0.361SS..Hα-helixtrans-65.6-42179.7-73.3170.9-178.8175.50112.5N222 H223 Y224 Q229 I230N222-K226 WeakPolarHBondContact O-CG 3.34Å; N222-K226 PolarHBondContact O-N 3.46Å; N222-K226 VanDerWaalsContact O-N 3.11Å; N222-K226 WeakPolarHBondContact OD1-CE 3.35Å; H223-K226 PolarHBondContact O-N 3.12Å; Y224-K226 VanDerWaalsContact C-N 3.32Å; Y224-K226 PolarHBondContact O-N 3.33Å; K226-Q229 PolarHBondContact O-N 3.31Å; K226-I230 WeakPolarHBondContact O-CG1 3.22Å; K226-I230 PolarHBondContact O-N 2.95Å
227A90.4Very high92.2Very high43 Ų4371.1 Ų71.136%0.35536%0.356SS..Hα-helixtrans-62.7-47.2175.500000111.5H223 Y224 Q229 I230 N231H223-A227 PolarHBondContact O-N 2.96Å; Y224-A227 PolarHBondContact O-N 3Å; A227-Q229 VanDerWaalsContact C-N 3.32Å; A227-Q229 PolarHBondContact O-N 2.95Å; A227-I230 WeakPolarHBondContact O-CB 3.41Å; A227-I230 PolarHBondContact O-N 3.17Å; A227-I230 VanDerWaalsContact O-N 3.1Å; A227-N231 VanDerWaalsContact O-CG 3.28Å; A227-N231 PolarHBondContact O-N 3.21Å; A227-N231 PolarHBondContact O-OD1 2.88Å; A227-N231 VanDerWaalsContact O-OD1 3.12Å
228L94.3Very high91.6Very high7 Ų770.3 Ų70.34%0.03735%0.351CS..Hα-helixtrans-60.5-38.9177.4-179.663.1000112.5I83 F90 Y224 K225 I230 N231 I232I83-L228 HydrophobicContact CG1-CD1 4.09Å; F90-L228 HydrophobicContact CE1-CD2 4.41Å; F90-L228 HydrophobicContact CE2-CD2 4.04Å; F90-L228 HydrophobicContact CZ-CD2 3.54Å; Y224-L228 HydrophobicContact CE1-CB 4.3Å; Y224-L228 HydrophobicContact CE1-CD2 3.87Å; Y224-L228 WeakPolarHBondContact O-CB 3.42Å; Y224-L228 PolarHBondContact O-N 3.07Å; K225-L228 PolarHBondContact O-N 3.2Å; L228-I230 VanDerWaalsContact C-N 3.32Å; L228-I230 PolarHBondContact O-N 3.22Å; L228-N231 PolarHBondContact O-N 3.34Å; L228-I232 HydrophobicContact CD1-CD1 4.1Å; L228-I232 HydrophobicContact CD1-CG1 4.21Å; L228-I232 HydrophobicContact CG-CD1 3.86Å; L228-I232 HydrophobicContact CG-CG1 4.42Å; L228-I232 WeakPolarHBondContact O-CB 3.37Å; L228-I232 VanDerWaalsContact O-CG1 3.26Å; L228-I232 WeakPolarHBondContact O-CG1 3.48Å; L228-I232 PolarHBondContact O-N 3.44Å
229Q92.9Very high91.3Very high114 Ų11473.8 Ų73.853%0.53336%0.357SS..Hα-helixtrans-60.5-39174.6-76.2177-60.200112.6K225 K226 A227 Q233K225-Q229 VanDerWaalsContact O-CG 3.32Å; K225-Q229 WeakPolarHBondContact O-CG 3.4Å; K225-Q229 PolarHBondContact O-N 3.41Å; K226-Q229 PolarHBondContact O-N 3.31Å; A227-Q229 VanDerWaalsContact C-N 3.32Å; A227-Q229 PolarHBondContact O-N 2.95Å; Q229-Q233 PolarHBondContact O-N 3.38Å; Q229-Q233 VanDerWaalsContact O-N 3.17Å
230I88.3Confident90.9Very high102 Ų10273.6 Ų73.652%0.52335%0.354SS..Hα-helixtrans-66.1-48.6174.7-66.6163.5000110.1K226 A227 L228 I232 Q233 N234K226-I230 WeakPolarHBondContact O-CG1 3.22Å; K226-I230 PolarHBondContact O-N 2.95Å; A227-I230 WeakPolarHBondContact O-CB 3.41Å; A227-I230 PolarHBondContact O-N 3.17Å; A227-I230 VanDerWaalsContact O-N 3.1Å; L228-I230 VanDerWaalsContact C-N 3.32Å; L228-I230 PolarHBondContact O-N 3.22Å; I230-I232 VanDerWaalsContact C-N 3.33Å; I230-I232 PolarHBondContact O-N 3.11Å; I230-Q233 PolarHBondContact O-N 3.13Å; I230-N234 PolarHBondContact O-N 3.12Å
231N90.7Very high90.3Very high31 Ų3169 Ų6917%0.16634%0.336CS..Hα-helixtrans-63.9-37.2-176.9-62.15.8000112D79 C82 A227 L228 T235D79-N231 HydrophobicContact CB-CB 4.18Å; D79-N231 VanDerWaalsContact OD1-CB 3.25Å; D79-N231 WeakPolarHBondContact OD1-CB 3.24Å; D79-N231 PolarHBondContact OD1-OD1 3.03Å; C82-N231 PolarHBondContact SG-ND2 3.38Å; A227-N231 VanDerWaalsContact O-CG 3.28Å; A227-N231 PolarHBondContact O-N 3.21Å; A227-N231 PolarHBondContact O-OD1 2.88Å; A227-N231 VanDerWaalsContact O-OD1 3.12Å; L228-N231 PolarHBondContact O-N 3.34Å; N231-T235 VanDerWaalsContact O-CB 3.32Å; N231-T235 WeakPolarHBondContact O-CB 3.4Å; N231-T235 PolarHBondContact O-N 3.36Å; N231-T235 PolarHBondContact O-OG1 3.12Å
232I92.2Very high89.8Confident69 Ų6968.2 Ų68.235%0.35434%0.335SS..Hα-helixtrans-62.2-44.6171.1-71.8168.3000111.1I83 L228 I230 T235 R236I83-I232 HydrophobicContact CD1-CG1 4.04Å; I83-I232 HydrophobicContact CG1-CG1 3.98Å; L228-I232 HydrophobicContact CD1-CD1 4.1Å; L228-I232 HydrophobicContact CD1-CG1 4.21Å; L228-I232 HydrophobicContact CG-CD1 3.86Å; L228-I232 HydrophobicContact CG-CG1 4.42Å; L228-I232 WeakPolarHBondContact O-CB 3.37Å; L228-I232 VanDerWaalsContact O-CG1 3.26Å; L228-I232 WeakPolarHBondContact O-CG1 3.48Å; L228-I232 PolarHBondContact O-N 3.44Å; I230-I232 VanDerWaalsContact C-N 3.33Å; I230-I232 PolarHBondContact O-N 3.11Å; I232-T235 PolarHBondContact O-N 3.22Å; I232-R236 WeakPolarHBondContact O-CB 3.46Å; I232-R236 PolarHBondContact O-N 3.43Å
233Q89.5Confident89.7Confident98 Ų9871 Ų7146%0.45834%0.341SS..Hα-helixtrans-70.9-36.8-179.5-175.360.315.800112.5Q229 I230 R236 S237Q229-Q233 PolarHBondContact O-N 3.38Å; Q229-Q233 VanDerWaalsContact O-N 3.17Å; I230-Q233 PolarHBondContact O-N 3.13Å; Q233-R236 PolarHBondContact O-N 3.12Å; Q233-S237 WeakPolarHBondContact O-CB 3.21Å; Q233-S237 PolarHBondContact O-N 3.1Å
234N87.4Confident89.4Confident29 Ų2967.8 Ų67.816%0.15533%0.332CS..Hα-helixtrans-59.7-49.3170.3-70.8-10.8000110.7I230 R236 S237 R238I230-N234 PolarHBondContact O-N 3.12Å; N234-R236 PolarHBondContact O-N 2.89Å; N234-S237 WeakPolarHBondContact O-CB 3.31Å; N234-S237 PolarHBondContact O-N 3.14Å; N234-S237 VanDerWaalsContact O-N 3.14Å; N234-R238 WeakPolarHBondContact O-CG 3.38Å; N234-R238 PolarHBondContact O-N 3.42Å
235T89.9Confident88.9Confident36 Ų3668.6 Ų68.622%0.22134%0.338CS..Hα-helixtrans-61.2-42.3179-58.60000111.7D79 I83 N231 I232 R238 F239D79-T235 WeakPolarHBondContact CB-OG1 3.09Å; I83-T235 HydrophobicContact CD1-CG2 4.09Å; I83-T235 WeakPolarHBondContact CD1-OG1 3.04Å; N231-T235 VanDerWaalsContact O-CB 3.32Å; N231-T235 WeakPolarHBondContact O-CB 3.4Å; N231-T235 PolarHBondContact O-N 3.36Å; N231-T235 PolarHBondContact O-OG1 3.12Å; I232-T235 PolarHBondContact O-N 3.22Å; T235-R238 PolarHBondContact O-N 3.35Å; T235-F239 WeakPolarHBondContact O-CB 3.44Å; T235-F239 PolarHBondContact O-N 2.85Å
236R90.3Very high88.6Confident142 Ų14266 Ų6654%0.53633%0.33SS..Hα-helixtrans-60.4-44.3172.6-177.9-175.3-72.4148.6-10.9112I232 Q233 N234 F239 E240I232-R236 WeakPolarHBondContact O-CB 3.46Å; I232-R236 PolarHBondContact O-N 3.43Å; Q233-R236 PolarHBondContact O-N 3.12Å; N234-R236 PolarHBondContact O-N 2.89Å; R236-F239 PolarHBondContact O-N 2.96Å; R236-E240 WeakPolarHBondContact O-CG 3.47Å; R236-E240 PolarHBondContact O-N 2.78Å
237S85.5Confident88.5Confident28 Ų2866.1 Ų66.120%0.19633%0.331CS..Hα-helixtrans-62-45.3177.9-165.10000111.9Q233 N234 E240 G241Q233-S237 WeakPolarHBondContact O-CB 3.21Å; Q233-S237 PolarHBondContact O-N 3.1Å; N234-S237 WeakPolarHBondContact O-CB 3.31Å; N234-S237 PolarHBondContact O-N 3.14Å; N234-S237 VanDerWaalsContact O-N 3.14Å; S237-E240 PolarHBondContact O-N 2.85Å; S237-G241 PolarHBondContact O-N 3.49Å; S237-G241 VanDerWaalsContact O-N 3.15Å
238R85.5Confident88.2Confident13 Ų1368 Ų685%0.04933%0.332CS..Hα-helixtrans-63.8-42175.1-68.3-178.7-175.8138.43.8112.3D79 N234 T235 G241 T242 V535 E563D79-R238 IonicContact OD2-CZ 3.14Å; D79-R238 IonicContact OD2-NH1 3.42Å; D79-R238 PolarHBondContact OD2-NH1 2.94Å; D79-R238 IonicContact OD2-NH2 3.52Å; D79-R238 PolarHBondContact OD2-NH2 2.83Å; N234-R238 WeakPolarHBondContact O-CG 3.38Å; N234-R238 PolarHBondContact O-N 3.42Å; T235-R238 PolarHBondContact O-N 3.35Å; R238-G241 PolarHBondContact O-N 3.22Å; R238-T242 WeakPolarHBondContact O-CB 3.42Å; R238-T242 PolarHBondContact O-N 3.27Å; R238-T242 PolarHBondContact O-OG1 2.71Å; R238-V535 HydrophobicContact CG-CG2 3.74Å; R238-E563 IonicContact CZ-OE1 3.27Å; R238-E563 IonicContact CZ-OE2 3.13Å; R238-E563 IonicContact NE-OE1 2.71Å; R238-E563 PolarHBondContact NE-OE1 3.48Å; R238-E563 IonicContact NH2-OE1 2.71Å; R238-E563 PolarHBondContact NH2-OE1 3.3Å; R238-E563 IonicContact NH2-OE2 3.42Å; R238-E563 PolarHBondContact NH2-OE2 2.9Å
239F88.9Confident87.8Confident120 Ų12067.9 Ų67.953%0.52633%0.332SS..Hα-helixtrans-59.6-45.6174.9168.1-99.2000111.7T235 R236 G241 T242 R243T235-F239 WeakPolarHBondContact O-CB 3.44Å; T235-F239 PolarHBondContact O-N 2.85Å; R236-F239 PolarHBondContact O-N 2.96Å; F239-G241 PolarHBondContact O-N 2.87Å; F239-T242 PolarHBondContact O-N 3.19Å; F239-R243 VanDerWaalsContact O-CB 3.26Å; F239-R243 WeakPolarHBondContact O-CB 3.49Å; F239-R243 PolarHBondContact O-N 2.86Å
240E87.7Confident87.5Confident72 Ų7267.4 Ų67.434%0.33633%0.331SS..Hα-helixtrans-63.3-41.8179.5-76.5-62.2162.500112.8R236 S237 R243 V244R236-E240 WeakPolarHBondContact O-CG 3.47Å; R236-E240 PolarHBondContact O-N 2.78Å; S237-E240 PolarHBondContact O-N 2.85Å; E240-R243 PolarHBondContact O-N 3.42Å; E240-R243 IonicContact OE1-CZ 2.68Å; E240-R243 VanDerWaalsContact OE1-CZ 3.27Å; E240-R243 IonicContact OE1-NE 3.71Å; E240-R243 PolarHBondContact OE1-NE 2.75Å; E240-R243 IonicContact OE1-NH2 2.71Å; E240-R243 PolarHBondContact OE1-NH2 3.04Å; E240-R243 IonicContact OE2-CZ 3.61Å; E240-R243 IonicContact OE2-NE 3.68Å; E240-R243 PolarHBondContact OE2-NE 2.72Å; E240-R243 IonicContact OE2-NH2 3.34Å; E240-R243 PolarHBondContact OE2-NH2 3.09Å; E240-V244 WeakPolarHBondContact O-CG2 3.38Å; E240-V244 PolarHBondContact O-N 2.83Å
241G82.8Confident87.5Confident29 Ų2966.6 Ų66.630%0.29932%0.323SS..Hα-helixtrans-59.8-49.3171.800000112.3S237 R238 F239 R243 V244 E245S237-G241 PolarHBondContact O-N 3.49Å; S237-G241 VanDerWaalsContact O-N 3.15Å; R238-G241 PolarHBondContact O-N 3.22Å; F239-G241 PolarHBondContact O-N 2.87Å; G241-R243 VanDerWaalsContact C-N 3.3Å; G241-R243 PolarHBondContact O-N 2.71Å; G241-V244 PolarHBondContact O-N 2.55Å; G241-E245 PolarHBondContact O-N 2.96Å
242T85.8Confident87.1Confident20 Ų2068.8 Ų68.812%0.12333%0.329CS..Hα-helixtrans-59.6-40.4178-51.40000111.6R238 F239 V244 E245 V246 I552R238-T242 WeakPolarHBondContact O-CB 3.42Å; R238-T242 PolarHBondContact O-N 3.27Å; R238-T242 PolarHBondContact O-OG1 2.71Å; F239-T242 PolarHBondContact O-N 3.19Å; T242-V244 PolarHBondContact O-N 2.89Å; T242-E245 PolarHBondContact O-N 3.46Å; T242-V246 WeakPolarHBondContact O-CG2 3.19Å; T242-V246 PolarHBondContact O-N 2.76Å; T242-I552 HydrophobicContact CG2-CG2 3.71Å
243R88.6Confident86.7Confident112 Ų11268.7 Ų68.742%0.42333%0.329SS..Hα-helixtrans-60.8-43.4179.2-178.1169.478.1145.11.5112F239 E240 G241 V246 F247F239-R243 VanDerWaalsContact O-CB 3.26Å; F239-R243 WeakPolarHBondContact O-CB 3.49Å; F239-R243 PolarHBondContact O-N 2.86Å; E240-R243 PolarHBondContact O-N 3.42Å; E240-R243 IonicContact OE1-CZ 2.68Å; E240-R243 VanDerWaalsContact OE1-CZ 3.27Å; E240-R243 IonicContact OE1-NE 3.71Å; E240-R243 PolarHBondContact OE1-NE 2.75Å; E240-R243 IonicContact OE1-NH2 2.71Å; E240-R243 PolarHBondContact OE1-NH2 3.04Å; E240-R243 IonicContact OE2-CZ 3.61Å; E240-R243 IonicContact OE2-NE 3.68Å; E240-R243 PolarHBondContact OE2-NE 2.72Å; E240-R243 IonicContact OE2-NH2 3.34Å; E240-R243 PolarHBondContact OE2-NH2 3.09Å; G241-R243 VanDerWaalsContact C-N 3.3Å; G241-R243 PolarHBondContact O-N 2.71Å; R243-V246 PolarHBondContact O-N 2.84Å; R243-F247 HydrophobicContact CG-CD2 3.86Å; R243-F247 HydrophobicContact CG-CE2 3.71Å; R243-F247 WeakPolarHBondContact O-CD2 3.28Å; R243-F247 PolarHBondContact O-N 2.92Å; R243-F247 VanDerWaalsContact O-N 3.08Å
244V87Confident86.4Confident82 Ų8273.8 Ų73.850%0.49734%0.344SS..Hα-helixtrans-62.9-45.2177.5172.50000111.3E240 G241 T242 V246 F247 E248E240-V244 WeakPolarHBondContact O-CG2 3.38Å; E240-V244 PolarHBondContact O-N 2.83Å; G241-V244 PolarHBondContact O-N 2.55Å; T242-V244 PolarHBondContact O-N 2.89Å; V244-V246 PolarHBondContact O-N 3.11Å; V244-F247 PolarHBondContact O-N 2.82Å; V244-F247 VanDerWaalsContact O-N 3.16Å; V244-E248 PolarHBondContact O-N 2.91Å
245E84.6Confident86.4Confident75 Ų7578.4 Ų78.435%0.3537%0.365SS..Hα-helixtrans-65.2-37.3178.7-63.3-62.7158.800112.2G241 T242 F247 E248 L249 I552 L555G241-E245 PolarHBondContact O-N 2.96Å; T242-E245 PolarHBondContact O-N 3.46Å; E245-F247 PolarHBondContact O-N 2.8Å; E245-E248 PolarHBondContact O-N 2.97Å; E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.27Å; E245-I552 HydrophobicContact CB-CD1 4.3Å; E245-I552 HydrophobicContact CB-CG1 4.38Å; E245-I552 HydrophobicContact CB-CG2 4.21Å; E245-L555 HydrophobicContact CB-CD1 4.03Å; E245-L555 HydrophobicContact CG-CD1 3.88Å
246V86.8Confident85.9Confident51 Ų5179.1 Ų79.131%0.30937%0.369SS..Hα-helixtrans-61.2-42.7171.2174.10000111.5T242 R243 V244 L249 M250 I552T242-V246 WeakPolarHBondContact O-CG2 3.19Å; T242-V246 PolarHBondContact O-N 2.76Å; R243-V246 PolarHBondContact O-N 2.84Å; V244-V246 PolarHBondContact O-N 3.11Å; V246-L249 PolarHBondContact O-N 2.92Å; V246-M250 WeakPolarHBondContact O-CB 3.29Å; V246-M250 PolarHBondContact O-N 3.03Å; V246-I552 HydrophobicContact CG2-CG2 3.66Å
247F88.6Confident85.2Confident115 Ų11576.1 Ų76.150%0.50437%0.368SS..Hα-helixtrans-66.9-41.8179-86.1-64.2000112.9R243 V244 E245 M250 K251R243-F247 HydrophobicContact CG-CD2 3.86Å; R243-F247 HydrophobicContact CG-CE2 3.71Å; R243-F247 WeakPolarHBondContact O-CD2 3.28Å; R243-F247 PolarHBondContact O-N 2.92Å; R243-F247 VanDerWaalsContact O-N 3.08Å; V244-F247 PolarHBondContact O-N 2.82Å; V244-F247 VanDerWaalsContact O-N 3.16Å; E245-F247 PolarHBondContact O-N 2.8Å; F247-M250 HydrophobicContact CD1-CE 3.78Å; F247-M250 HydrophobicContact CE1-CE 4.2Å; F247-M250 PolarHBondContact O-N 3.2Å; F247-K251 WeakPolarHBondContact O-CB 3.49Å; F247-K251 PolarHBondContact O-N 3.31Å
248E85.4Confident84.6Confident82 Ų8280.2 Ų80.238%0.38338%0.384SS..Hα-helixtrans-71.6-32.9176.2-77.7-66.3146.300112.5V244 E245 K251 R252V244-E248 PolarHBondContact O-N 2.91Å; E245-E248 PolarHBondContact O-N 2.97Å; E248-K251 PolarHBondContact O-N 3.16Å; E248-K251 IonicContact OE1-NZ 2.74Å; E248-K251 PolarHBondContact OE1-NZ 2.97Å; E248-K251 IonicContact OE2-NZ 3.43Å; E248-K251 PolarHBondContact OE2-NZ 3.31Å; E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 3.27Å
249L85.4Confident83.8Confident5 Ų584.6 Ų84.63%0.02641%0.405CS..Hα-helixtrans-64-48.2169.3179.861.6000111.5E245 V246 K251 R252 I253 D547 V549 I552E245-L249 WeakPolarHBondContact O-CB 3.39Å; E245-L249 PolarHBondContact O-N 3.27Å; V246-L249 PolarHBondContact O-N 2.92Å; L249-K251 PolarHBondContact O-N 3.1Å; L249-R252 PolarHBondContact O-N 3.47Å; L249-I253 HydrophobicContact CD1-CD1 3.82Å; L249-I253 HydrophobicContact CD1-CG1 4.1Å; L249-I253 HydrophobicContact CD2-CD1 4.41Å; L249-I253 HydrophobicContact CG-CD1 3.79Å; L249-I253 HydrophobicContact CG-CG1 4.44Å; L249-I253 WeakPolarHBondContact O-CG1 3.29Å; L249-I253 PolarHBondContact O-N 3.43Å; L249-D547 HydrophobicContact CD1-CB 3.93Å; L249-V549 HydrophobicContact CD2-CG2 4.16Å; L249-I552 HydrophobicContact CB-CD1 3.84Å; L249-I552 HydrophobicContact CD2-CD1 3.53Å; L249-I552 HydrophobicContact CG-CD1 4.29Å
250M86.6Confident82.9Confident104 Ų10481.9 Ų81.951%0.51239%0.392SS..Hα-helixtrans-57.2-39.4176.7-177.9-166.67200111.6V246 F247 R254V246-M250 WeakPolarHBondContact O-CB 3.29Å; V246-M250 PolarHBondContact O-N 3.03Å; F247-M250 HydrophobicContact CD1-CE 3.78Å; F247-M250 HydrophobicContact CE1-CE 4.2Å; F247-M250 PolarHBondContact O-N 3.2Å; M250-R254 WeakPolarHBondContact O-CB 3.25Å; M250-R254 PolarHBondContact O-N 3.17Å; M250-R254 VanDerWaalsContact O-N 3.08Å
251K87.9Confident81.9Confident85 Ų8582.4 Ų82.437%0.3739%0.39SS..Hα-helixtrans-65.7-50.4176.3174.2175.4149.6-129.60112.1F247 E248 L249 I253 R254 E255F247-K251 WeakPolarHBondContact O-CB 3.49Å; F247-K251 PolarHBondContact O-N 3.31Å; E248-K251 PolarHBondContact O-N 3.16Å; E248-K251 IonicContact OE1-NZ 2.74Å; E248-K251 PolarHBondContact OE1-NZ 2.97Å; E248-K251 IonicContact OE2-NZ 3.43Å; E248-K251 PolarHBondContact OE2-NZ 3.31Å; L249-K251 PolarHBondContact O-N 3.1Å; K251-I253 PolarHBondContact O-N 3.24Å; K251-R254 WeakPolarHBondContact O-CA 3.4Å; K251-R254 WeakPolarHBondContact O-CB 3.33Å; K251-R254 PolarHBondContact O-N 2.66Å; K251-E255 VanDerWaalsContact CE-OE1 3.24Å; K251-E255 WeakPolarHBondContact CE-OE1 3.26Å; K251-E255 VanDerWaalsContact CG-OE1 3.24Å; K251-E255 WeakPolarHBondContact CG-OE1 3.42Å; K251-E255 WeakPolarHBondContact O-CG 3.17Å; K251-E255 PolarHBondContact O-N 2.9Å
252R83.3Confident81.2Confident77 Ų7784.8 Ų84.829%0.29139%0.394SS..Hα-helixtrans-58.1-44.3176.7-72.4-174.6-69146.8-2.9112.5E248 L249 R254 E255 V256 D547E248-R252 WeakPolarHBondContact O-CG 3.49Å; E248-R252 PolarHBondContact O-N 3.27Å; L249-R252 PolarHBondContact O-N 3.47Å; R252-R254 VanDerWaalsContact C-N 3.27Å; R252-R254 PolarHBondContact O-N 2.82Å; R252-E255 PolarHBondContact O-N 3.47Å; R252-V256 PolarHBondContact O-N 2.67Å; R252-V256 VanDerWaalsContact O-N 3.12Å; R252-D547 IonicContact CZ-OD1 3.82Å; R252-D547 VanDerWaalsContact CZ-OD1 3.32Å; R252-D547 IonicContact CZ-OD2 2.69Å; R252-D547 IonicContact NH1-OD1 3.47Å; R252-D547 PolarHBondContact NH1-OD1 2.89Å; R252-D547 IonicContact NH1-OD2 3.54Å; R252-D547 PolarHBondContact NH1-OD2 3.32Å; R252-D547 IonicContact NH2-OD1 2.8Å; R252-D547 PolarHBondContact NH2-OD1 2.87Å; R252-D547 IonicContact NH2-OD2 3.13Å
253I83.1Confident80.1Confident67 Ų6788.7 Ų88.734%0.34442%0.418SS..Hα-helixtrans-61.9-35.1175.6-66.6171.5000111.7L249 K251 P257 Y260L249-I253 HydrophobicContact CD1-CD1 3.82Å; L249-I253 HydrophobicContact CD1-CG1 4.1Å; L249-I253 HydrophobicContact CD2-CD1 4.41Å; L249-I253 HydrophobicContact CG-CD1 3.79Å; L249-I253 HydrophobicContact CG-CG1 4.44Å; L249-I253 WeakPolarHBondContact O-CG1 3.29Å; L249-I253 PolarHBondContact O-N 3.43Å; K251-I253 PolarHBondContact O-N 3.24Å; I253-P257 WeakPolarHBondContact O-CA 3.38Å; I253-P257 WeakPolarHBondContact O-CG 3.42Å; I253-Y260 HydrophobicContact CB-CD2 4.19Å; I253-Y260 HydrophobicContact CB-CE2 4.42Å; I253-Y260 HydrophobicContact CB-CG 4.49Å; I253-Y260 HydrophobicContact CG1-CD1 3.93Å; I253-Y260 HydrophobicContact CG1-CD2 3.86Å; I253-Y260 HydrophobicContact CG1-CE1 4.03Å; I253-Y260 HydrophobicContact CG1-CE2 3.97Å; I253-Y260 HydrophobicContact CG1-CG 3.84Å; I253-Y260 HydrophobicContact CG2-CD2 4.43Å
254R84Confident79.1Confident206 Ų20684.5 Ų84.578%0.77741%0.406SS*.Hα-helixtrans-73.7-31.4176.9-168.2-179.2-168.7178.45.3113.1M250 K251 R252M250-R254 WeakPolarHBondContact O-CB 3.25Å; M250-R254 PolarHBondContact O-N 3.17Å; M250-R254 VanDerWaalsContact O-N 3.08Å; K251-R254 WeakPolarHBondContact O-CA 3.4Å; K251-R254 WeakPolarHBondContact O-CB 3.33Å; K251-R254 PolarHBondContact O-N 2.66Å; R252-R254 VanDerWaalsContact C-N 3.27Å; R252-R254 PolarHBondContact O-N 2.82Å
255E85.9Confident78.2Confident125 Ų12586 Ų8658%0.58442%0.417SS*.Hα-helixtrans-75.3-38.1179.9-74167-18000112K251 R252K251-E255 VanDerWaalsContact CE-OE1 3.24Å; K251-E255 WeakPolarHBondContact CE-OE1 3.26Å; K251-E255 VanDerWaalsContact CG-OE1 3.24Å; K251-E255 WeakPolarHBondContact CG-OE1 3.42Å; K251-E255 WeakPolarHBondContact O-CG 3.17Å; K251-E255 PolarHBondContact O-N 2.9Å; R252-E255 PolarHBondContact O-N 3.47Å
256V80.9Confident77.9Confident51 Ų5187 Ų8731%0.30942%0.424SS..  trans-131.267.3177.5-159.70000113.6R252 Q258 E259 Y260R252-V256 PolarHBondContact O-N 2.67Å; R252-V256 VanDerWaalsContact O-N 3.12Å; V256-Q258 PolarHBondContact O-N 3.14Å; V256-E259 HydrophobicContact CG1-CB 4.22Å; V256-E259 HydrophobicContact CG1-CG 3.73Å; V256-E259 PolarHBondContact O-N 3.24Å; V256-Y260 WeakPolarHBondContact O-CD2 3.29Å
257P75.8Confident77.8Confident80 Ų8085.1 Ų85.152%0.51941%0.413SS..THydrogen-bonded Turntrans-65.4-12.6-173.2-20.332000115.9I253I253-P257 WeakPolarHBondContact O-CA 3.38Å; I253-P257 WeakPolarHBondContact O-CG 3.42Å
258Q71.4Confident77.6Confident114 Ų11479.7 Ų79.753%0.53339%0.389SS..THydrogen-bonded Turntrans-77.9-32.5179.2-75.7177.7-25.900112.6V256 R261 D358V256-Q258 PolarHBondContact O-N 3.14Å; Q258-R261 WeakPolarHBondContact O-CG 3.47Å; Q258-D358 PolarHBondContact NE2-OD2 2.92Å
259E69.3Low77.8Confident104 Ų10478.1 Ų78.149%0.48638%0.382SS..G310 helixtrans-75.5-37.1-177.5-69.4-179.6-177.600111.3V256 R261 Y381V256-E259 HydrophobicContact CG1-CB 4.22Å; V256-E259 HydrophobicContact CG1-CG 3.73Å; V256-E259 PolarHBondContact O-N 3.24Å; E259-R261 PolarHBondContact O-N 3.03Å; E259-R261 VanDerWaalsContact O-N 3.1Å; E259-Y381 WeakPolarHBondContact OE2-CE2 3.32Å; E259-Y381 PolarHBondContact OE2-OH 3.2Å
260Y69.3Low77.9Confident64 Ų6478.6 Ų78.625%0.25139%0.388SS..G310 helixtrans-76.815176.3-60.6-80.3000114.7I253 V256 D547I253-Y260 HydrophobicContact CB-CD2 4.19Å; I253-Y260 HydrophobicContact CB-CE2 4.42Å; I253-Y260 HydrophobicContact CB-CG 4.49Å; I253-Y260 HydrophobicContact CG1-CD1 3.93Å; I253-Y260 HydrophobicContact CG1-CD2 3.86Å; I253-Y260 HydrophobicContact CG1-CE1 4.03Å; I253-Y260 HydrophobicContact CG1-CE2 3.97Å; I253-Y260 HydrophobicContact CG1-CG 3.84Å; I253-Y260 HydrophobicContact CG2-CD2 4.43Å; V256-Y260 WeakPolarHBondContact O-CD2 3.29Å; Y260-D547 HydrophobicContact CE1-CB 4.49Å
261R68.1Low78.1Confident82 Ų8276.6 Ų76.631%0.30938%0.375SS..G310 helixtrans-72.9-25.7174.2-74.8-170.3-169.816810.1113.9Q258 E259 T263 D358 F362Q258-R261 WeakPolarHBondContact O-CG 3.47Å; E259-R261 PolarHBondContact O-N 3.03Å; E259-R261 VanDerWaalsContact O-N 3.1Å; R261-T263 PolarHBondContact O-N 2.64Å; R261-D358 IonicContact CZ-OD2 3.68Å; R261-D358 VanDerWaalsContact NH1-CB 3.29Å; R261-D358 IonicContact NH2-OD2 3.84Å; R261-D358 PolarHBondContact NH2-OD2 2.77Å; R261-F362 HydrophobicContact CB-CE2 4.3Å
262Q66.6Low78.3Confident80 Ų8072.5 Ų72.537%0.37436%0.357SS..  trans-89.6106175.8-63.8-16821.600109.5S264 F362Q262-S264 PolarHBondContact O-N 3.12Å; Q262-F362 HydrophobicContact CG-CE2 3.68Å; Q262-F362 HydrophobicContact CG-CZ 4.09Å
263T63.3Low78.7Confident101 Ų10172.8 Ų72.862%0.6236%0.359SS*.SBendtrans-67.8-8.117446.80000113.6R261 E269R261-T263 PolarHBondContact O-N 2.64Å; T263-E269 PolarHBondContact OG1-OE2 3.25Å; T263-E269 VanDerWaalsContact OG1-OE2 3.07Å
264S67.3Low79Confident25 Ų2569.7 Ų69.718%0.17534%0.343CS..  trans-160.9141.6-168.4160.30000110.3Q262 I266 S267Q262-S264 PolarHBondContact O-N 3.12Å; S264-I266 VanDerWaalsContact OG-CG1 3.31Å; S264-I266 WeakPolarHBondContact OG-CG1 3.37Å; S264-I266 PolarHBondContact OG-N 3.48Å; S264-S267 WeakPolarHBondContact CB-OG 3.26Å; S264-S267 VanDerWaalsContact O-O 3.12Å; S264-S267 PolarHBondContact OG-N 3.39Å; S264-S267 VanDerWaalsContact OG-N 3.1Å; S264-S267 PolarHBondContact OG-OG 2.93Å
265P68.6Low79.3Confident113 Ų11362.3 Ų62.373%0.73432%0.317SS*.SBendtrans-70.8-31.3175.128.4-33.5000112.5K295P265-K295 PolarHBondContact O-NZ 3.49Å
266I78.1Confident79.4Confident97 Ų9759.1 Ų59.150%0.49730%0.302SS..SBendtrans-91.9-21.1-173.858.3170.7000114S264 K295S264-I266 VanDerWaalsContact OG-CG1 3.31Å; S264-I266 WeakPolarHBondContact OG-CG1 3.37Å; S264-I266 PolarHBondContact OG-N 3.48Å; I266-K295 WeakPolarHBondContact O-CB 3.4Å; I266-K295 WeakPolarHBondContact O-CG 3.4Å; I266-K295 PolarHBondContact O-N 3.27Å
267S84.1Confident79.5Confident11 Ų1166 Ų668%0.07733%0.328CS..EExtended strand (participates in β ladder)trans-117.2175.4177.557.20000112.6S264 E269 F293 K295S264-S267 WeakPolarHBondContact CB-OG 3.26Å; S264-S267 VanDerWaalsContact O-O 3.12Å; S264-S267 PolarHBondContact OG-N 3.39Å; S264-S267 VanDerWaalsContact OG-N 3.1Å; S264-S267 PolarHBondContact OG-OG 2.93Å; S267-E269 PolarHBondContact OG-OE1 2.98Å; S267-F293 CarbonylContact C-O 3.59Å; S267-F293 WeakPolarHBondContact CA-O 3.45Å; S267-F293 WeakPolarHBondContact CB-O 3.32Å; S267-K295 WeakPolarHBondContact O-CE 3.39Å; S267-K295 PolarHBondContact O-NZ 2.93Å
268S85.9Confident79.6Confident0 Ų068.6 Ų68.60%033%0.328CS..EExtended strand (participates in β ladder)trans-148.5132.7170.4-67.40000108.9F293 K295 W363S268-F293 PolarHBondContact N-O 2.8Å; S268-F293 PolarHBondContact O-N 3.49Å; S268-K295 WeakPolarHBondContact OG-CE 3.31Å; S268-K295 PolarHBondContact OG-NZ 2.99Å; S268-W363 WeakPolarHBondContact O-CH2 3.38Å
269E88.7Confident80.1Confident50 Ų5067.9 Ų67.923%0.23433%0.333CS..EExtended strand (participates in β ladder)trans-135.5151.6-160.5-57.1-174.5168.900112T263 S267 Y290 C291 T292T263-E269 PolarHBondContact OG1-OE2 3.25Å; T263-E269 VanDerWaalsContact OG1-OE2 3.07Å; S267-E269 PolarHBondContact OG-OE1 2.98Å; E269-Y290 PolarHBondContact OE2-OH 3.08Å; E269-C291 VanDerWaalsContact CA-O 3.27Å; E269-C291 WeakPolarHBondContact CA-O 3.47Å; E269-T292 HydrophobicContact CG-CG2 3.96Å; E269-T292 WeakPolarHBondContact OE1-CG2 3.38Å
270G88.4Confident80.3Confident14 Ų1468.9 Ų68.914%0.14435%0.348CS..EExtended strand (participates in β ladder)trans164.2-168.1-178.900000112.4Y290 C291G270-Y290 WeakPolarHBondContact O-CD2 3.44Å; G270-C291 PolarHBondContact N-O 2.91Å; G270-C291 VanDerWaalsContact N-O 3.1Å; G270-C291 PolarHBondContact O-N 2.88Å
271Y90.5Very high80.6Confident62 Ų6271.4 Ų71.424%0.24337%0.372CS..EExtended strand (participates in β ladder)trans-109.1129.5178.2-69.6-83.7000111.6K288 R289 Y290 F305Y271-K288 HydrophobicContact CD1-CD 4.11Å; Y271-K288 HydrophobicContact CD1-CG 4.13Å; Y271-K288 VanDerWaalsContact CG-CE 3.41Å; Y271-R289 WeakPolarHBondContact CA-O 3.42Å; Y271-Y290 AromaticContact CD1-CD2 4Å; Y271-Y290 HydrophobicContact CD1-CD2 4Å; Y271-Y290 HydrophobicContact CD2-CD2 4.2Å; Y271-Y290 AromaticContact CE1-CD2 3.77Å; Y271-Y290 HydrophobicContact CE1-CD2 3.77Å; Y271-Y290 HydrophobicContact CE1-CG 4.34Å; Y271-Y290 AromaticContact CE2-CD2 3.95Å; Y271-Y290 HydrophobicContact CE2-CD2 3.95Å; Y271-Y290 HydrophobicContact CE2-CE2 4.34Å; Y271-Y290 HydrophobicContact CG-CD2 4.22Å; Y271-Y290 AromaticContact CZ-CD2 3.72Å; Y271-F305 HydrophobicContact CE1-CB 4.35Å; Y271-F305 AromaticContact CE1-CD1 3.98Å; Y271-F305 HydrophobicContact CE1-CD1 3.98Å; Y271-F305 HydrophobicContact CE1-CG 4.33Å
272L91.8Very high80.9Confident0 Ų074.6 Ų74.60%039%0.389CS..EExtended strand (participates in β ladder)trans-118.2146.5170.8-67.7170.8000109.9R289 C291 V352 W363 M367L272-R289 PolarHBondContact N-O 3.16Å; L272-R289 PolarHBondContact O-N 3.49Å; L272-C291 HydrophobicContact CD1-CB 4.14Å; L272-C291 HydrophobicContact CG-CB 4.45Å; L272-V352 HydrophobicContact CB-CB 4.49Å; L272-V352 HydrophobicContact CD1-CG2 4.18Å; L272-V352 HydrophobicContact CD2-CG2 4.36Å; L272-W363 HydrophobicContact CD1-CD2 4.14Å; L272-W363 HydrophobicContact CD1-CE3 4.49Å; L272-W363 HydrophobicContact CD1-CZ2 4.26Å; L272-W363 HydrophobicContact CD2-CD2 4.35Å; L272-W363 HydrophobicContact CD2-CG 4.06Å; L272-W363 HydrophobicContact CG-CD2 4.45Å; L272-W363 HydrophobicContact CG-CZ2 4.24Å; L272-M367 HydrophobicContact CD1-CE 3.98Å
273Y90.8Very high81.6Confident83 Ų8373.1 Ų73.133%0.32540%0.395SS..EExtended strand (participates in β ladder)trans-91.3115.5165.1-76.9-90000108.9W286 V287 K288 V352 Q353 L355Y273-W286 HydrophobicContact CD1-CB 4.33Å; Y273-V287 CarbonylContact C-O 3.57Å; Y273-V287 WeakPolarHBondContact CA-O 3.41Å; Y273-K288 HydrophobicContact CD1-CB 3.95Å; Y273-K288 HydrophobicContact CD1-CG 4.48Å; Y273-K288 HydrophobicContact CE1-CB 3.62Å; Y273-K288 HydrophobicContact CE1-CG 4.1Å; Y273-K288 HydrophobicContact CE2-CG 4.23Å; Y273-V352 CarbonylContact O-C 3.52Å; Y273-V352 WeakPolarHBondContact O-CA 3.18Å; Y273-Q353 PolarHBondContact N-O 2.91Å; Y273-Q353 PolarHBondContact O-N 3.34Å; Y273-L355 HydrophobicContact CD2-CD2 4.03Å; Y273-L355 HydrophobicContact CE2-CD2 3.68Å
274V90.7Very high82.6Confident2 Ų270.7 Ų70.71%0.01238%0.382CS..EExtended strand (participates in β ladder)trans-91.2134.3178.7-178.20000109.7E276 W286 V287 R289 M302 L350 V352V274-E276 PolarHBondContact O-N 2.92Å; V274-W286 WeakPolarHBondContact O-CA 3.48Å; V274-V287 PolarHBondContact N-O 3.45Å; V274-V287 PolarHBondContact O-N 2.93Å; V274-R289 HydrophobicContact CG2-CB 4.44Å; V274-R289 HydrophobicContact CG2-CG 4.23Å; V274-M302 HydrophobicContact CG2-SD 4.12Å; V274-L350 HydrophobicContact CG1-CD1 3.7Å; V274-L350 HydrophobicContact CG1-CD2 4.27Å; V274-L350 HydrophobicContact CG1-CG 4.03Å; V274-V352 HydrophobicContact CB-CG1 4.41Å; V274-V352 HydrophobicContact CG1-CG1 4.4Å; V274-V352 HydrophobicContact CG2-CG1 4.02Å
275Q89.7Confident83.5Confident50 Ų5070.4 Ų70.423%0.23438%0.38CS..EExtended strand (participates in β ladder)trans-82109.1174.6-168179.813.200110.9S284 W286 T351Q275-S284 PolarHBondContact NE2-OG 3.45Å; Q275-W286 HydrophobicContact CB-CD2 4.18Å; Q275-W286 HydrophobicContact CB-CE3 4.02Å; Q275-W286 HydrophobicContact CB-CH2 3.88Å; Q275-W286 HydrophobicContact CB-CZ2 3.97Å; Q275-W286 HydrophobicContact CB-CZ3 3.88Å; Q275-W286 HydrophobicContact CG-CD2 4.38Å; Q275-W286 HydrophobicContact CG-CH2 4.35Å; Q275-W286 HydrophobicContact CG-CZ2 3.94Å; Q275-T351 WeakPolarHBondContact CB-O 3.19Å; Q275-T351 PolarHBondContact N-O 2.8Å
276E87.7Confident84.4Confident59 Ų5967.3 Ų67.328%0.27635%0.354SS..EExtended strand (participates in β ladder)trans-100127.3177-66.7178.1-176.100110.5V274 S284 S285 V287 R289V274-E276 PolarHBondContact O-N 2.92Å; E276-S284 CarbonylContact O-C 3.56Å; E276-S284 WeakPolarHBondContact O-CA 3.35Å; E276-S284 WeakPolarHBondContact O-CB 3.28Å; E276-S285 PolarHBondContact N-O 2.96Å; E276-S285 PolarHBondContact O-N 3.2Å; E276-V287 VanDerWaalsContact CD-CG2 3.46Å; E276-V287 HydrophobicContact CG-CG2 4.31Å; E276-V287 WeakPolarHBondContact OE1-CB 3.36Å; E276-V287 VanDerWaalsContact OE2-CG2 3.23Å; E276-V287 WeakPolarHBondContact OE2-CG2 3.28Å; E276-R289 IonicContact OE1-CZ 3.55Å; E276-R289 IonicContact OE1-NE 3.37Å; E276-R289 PolarHBondContact OE1-NE 3.08Å; E276-R289 IonicContact OE1-NH2 3.58Å; E276-R289 PolarHBondContact OE1-NH2 2.81Å
277K82.8Confident84.8Confident195 Ų19564.5 Ų64.585%0.84834%0.341SS*.EExtended strand (participates in β ladder)trans-79.8126.1174.7-64.3179.2-177.2175.60109.4
278R79.4Confident85.1Confident135 Ų13567.4 Ų67.451%0.50935%0.352SS..PPolyproline II helixtrans-96158.2174.2-64.2-172.7175.7-163.8-3.6110.3F282 G283 S285R278-F282 HydrophobicContact CB-CB 3.8Å; R278-G283 PolarHBondContact N-O 3.3Å; R278-S285 VanDerWaalsContact NE-CB 3.29Å; R278-S285 PolarHBondContact NE-OG 2.94Å; R278-S285 PolarHBondContact NH2-OG 3.04Å
279P80.6Confident85.3Confident99 Ų9968.4 Ų68.464%0.64336%0.356SS*.SBendtrans-56143.6167.8-2434.6000111.2F282P279-F282 PolarHBondContact O-N 3.35Å
280P74.8Confident85.3Confident125 Ų12569.3 Ų69.381%0.81236%0.358SS*.THydrogen-bonded Turntrans-53.8140.8169.1-24.934.7000111.1
281P74.6Confident85.5Confident116 Ų11668.7 Ų68.775%0.75335%0.351SS*.THydrogen-bonded Turncis-86.93.37.635.4-37.9000115.4G283P281-G283 VanDerWaalsContact C-N 3.27Å; P281-G283 PolarHBondContact O-N 3.08Å; P281-G283 VanDerWaalsContact O-N 3.09Å
282F75Confident85.5Confident149 Ų14967.1 Ų67.165%0.65435%0.348SS*.SBendtrans-79.38.5-161.6-57.7-75.3000116.7R278 P279 S284R278-F282 HydrophobicContact CB-CB 3.8Å; P279-F282 PolarHBondContact O-N 3.35Å; F282-S284 PolarHBondContact O-N 3.4Å
283G81.4Confident85.4Confident49 Ų4967.4 Ų67.451%0.50535%0.349SS..  trans60.3-126.8171.600000114.5R278 P281R278-G283 PolarHBondContact N-O 3.3Å; P281-G283 VanDerWaalsContact C-N 3.27Å; P281-G283 PolarHBondContact O-N 3.08Å; P281-G283 VanDerWaalsContact O-N 3.09Å
284S83.3Confident85.4Confident51 Ų5164.6 Ų64.636%0.35734%0.341SS..EExtended strand (participates in β ladder)trans-130.4138175.166.40000111.8Q275 E276 F282Q275-S284 PolarHBondContact NE2-OG 3.45Å; E276-S284 CarbonylContact O-C 3.56Å; E276-S284 WeakPolarHBondContact O-CA 3.35Å; E276-S284 WeakPolarHBondContact O-CB 3.28Å; F282-S284 PolarHBondContact O-N 3.4Å
285S86.6Confident85.1Confident18 Ų1867.4 Ų67.413%0.12635%0.353CS..EExtended strand (participates in β ladder)trans-102.6157.2170.549.30000112E276 R278E276-S285 PolarHBondContact N-O 2.96Å; E276-S285 PolarHBondContact O-N 3.2Å; R278-S285 VanDerWaalsContact NE-CB 3.29Å; R278-S285 PolarHBondContact NE-OG 2.94Å; R278-S285 PolarHBondContact NH2-OG 3.04Å
286W87.2Confident84.9Confident49 Ų4972.7 Ų72.719%0.18638%0.378CS..EExtended strand (participates in β ladder)trans-107.5118.4172.1-67.882.8000109Y273 V274 Q275 R334 T351 Q353Y273-W286 HydrophobicContact CD1-CB 4.33Å; V274-W286 WeakPolarHBondContact O-CA 3.48Å; Q275-W286 HydrophobicContact CB-CD2 4.18Å; Q275-W286 HydrophobicContact CB-CE3 4.02Å; Q275-W286 HydrophobicContact CB-CH2 3.88Å; Q275-W286 HydrophobicContact CB-CZ2 3.97Å; Q275-W286 HydrophobicContact CB-CZ3 3.88Å; Q275-W286 HydrophobicContact CG-CD2 4.38Å; Q275-W286 HydrophobicContact CG-CH2 4.35Å; Q275-W286 HydrophobicContact CG-CZ2 3.94Å; W286-R334 VanDerWaalsContact CE2-CD 3.48Å; W286-T351 HydrophobicContact CH2-CG2 3.86Å; W286-Q353 HydrophobicContact CE3-CB 4.08Å; W286-Q353 HydrophobicContact CH2-CB 4.33Å; W286-Q353 HydrophobicContact CZ3-CB 3.62Å
287V87.8Confident84.8Confident37 Ų3775.5 Ų75.522%0.22439%0.391CS..EExtended strand (participates in β ladder)trans-110.2125.3-177.3174.70000109.7Y273 V274 E276 R289 T304Y273-V287 CarbonylContact C-O 3.57Å; Y273-V287 WeakPolarHBondContact CA-O 3.41Å; V274-V287 PolarHBondContact N-O 3.45Å; V274-V287 PolarHBondContact O-N 2.93Å; E276-V287 VanDerWaalsContact CD-CG2 3.46Å; E276-V287 HydrophobicContact CG-CG2 4.31Å; E276-V287 WeakPolarHBondContact OE1-CB 3.36Å; E276-V287 VanDerWaalsContact OE2-CG2 3.23Å; E276-V287 WeakPolarHBondContact OE2-CG2 3.28Å; V287-R289 HydrophobicContact CG1-CG 4.24Å; V287-R289 PolarHBondContact O-N 3.49Å; V287-T304 HydrophobicContact CG1-CG2 4.48Å
288K89.4Confident85.2Confident72 Ų7271.7 Ų71.731%0.31337%0.374SS..EExtended strand (participates in β ladder)trans-72.9120175.9-162.7-172.5-176.9-157.70109.1Y271 Y273Y271-K288 HydrophobicContact CD1-CD 4.11Å; Y271-K288 HydrophobicContact CD1-CG 4.13Å; Y271-K288 VanDerWaalsContact CG-CE 3.41Å; Y273-K288 HydrophobicContact CD1-CB 3.95Å; Y273-K288 HydrophobicContact CD1-CG 4.48Å; Y273-K288 HydrophobicContact CE1-CB 3.62Å; Y273-K288 HydrophobicContact CE1-CG 4.1Å; Y273-K288 HydrophobicContact CE2-CG 4.23Å
289R89.6Confident85.8Confident22 Ų2267.1 Ų67.18%0.08336%0.359CS..EExtended strand (participates in β ladder)trans-119147.1172.6-59.8-167.2-174.6-1768.1109.6Y271 L272 V274 E276 V287 M302 V303 T304 E317Y271-R289 WeakPolarHBondContact CA-O 3.42Å; L272-R289 PolarHBondContact N-O 3.16Å; L272-R289 PolarHBondContact O-N 3.49Å; V274-R289 HydrophobicContact CG2-CB 4.44Å; V274-R289 HydrophobicContact CG2-CG 4.23Å; E276-R289 IonicContact OE1-CZ 3.55Å; E276-R289 IonicContact OE1-NE 3.37Å; E276-R289 PolarHBondContact OE1-NE 3.08Å; E276-R289 IonicContact OE1-NH2 3.58Å; E276-R289 PolarHBondContact OE1-NH2 2.81Å; V287-R289 HydrophobicContact CG1-CG 4.24Å; V287-R289 PolarHBondContact O-N 3.49Å; R289-M302 HydrophobicContact CB-CB 4.41Å; R289-V303 CarbonylContact C-O 3.52Å; R289-V303 VanDerWaalsContact CA-O 3.24Å; R289-V303 WeakPolarHBondContact CA-O 3.4Å; R289-V303 WeakPolarHBondContact CB-O 3.34Å; R289-T304 HydrophobicContact CG-CG2 4.32Å; R289-E317 IonicContact CZ-OE2 2.71Å; R289-E317 IonicContact NH1-OE2 2.73Å; R289-E317 PolarHBondContact NH1-OE2 3.28Å; R289-E317 IonicContact NH2-OE2 3.18Å; R289-E317 PolarHBondContact NH2-OE2 3.19Å
290Y90.2Very high86.3Confident69 Ų6962.4 Ų62.427%0.27133%0.329SS..EExtended strand (participates in β ladder)trans-83.1131.9163.5-171.3-99.6000107.7E269 G270 Y271 M302 V303E269-Y290 PolarHBondContact OE2-OH 3.08Å; G270-Y290 WeakPolarHBondContact O-CD2 3.44Å; Y271-Y290 AromaticContact CD1-CD2 4Å; Y271-Y290 HydrophobicContact CD1-CD2 4Å; Y271-Y290 HydrophobicContact CD2-CD2 4.2Å; Y271-Y290 AromaticContact CE1-CD2 3.77Å; Y271-Y290 HydrophobicContact CE1-CD2 3.77Å; Y271-Y290 HydrophobicContact CE1-CG 4.34Å; Y271-Y290 AromaticContact CE2-CD2 3.95Å; Y271-Y290 HydrophobicContact CE2-CD2 3.95Å; Y271-Y290 HydrophobicContact CE2-CE2 4.34Å; Y271-Y290 HydrophobicContact CG-CD2 4.22Å; Y271-Y290 AromaticContact CZ-CD2 3.72Å; Y290-M302 WeakPolarHBondContact O-CA 3.34Å; Y290-V303 PolarHBondContact N-O 2.92Å; Y290-V303 PolarHBondContact O-N 3.36Å
291C91.1Very high87.2Confident0 Ų059.1 Ų59.10%030%0.302CS..EExtended strand (participates in β ladder)trans-125.4134.6-167.8-680000110.3E269 G270 L272 L300 H301 W363E269-C291 VanDerWaalsContact CA-O 3.27Å; E269-C291 WeakPolarHBondContact CA-O 3.47Å; G270-C291 PolarHBondContact N-O 2.91Å; G270-C291 VanDerWaalsContact N-O 3.1Å; G270-C291 PolarHBondContact O-N 2.88Å; L272-C291 HydrophobicContact CD1-CB 4.14Å; L272-C291 HydrophobicContact CG-CB 4.45Å; C291-L300 HydrophobicContact CB-CD1 4.08Å; C291-H301 CarbonylContact C-O 3.6Å; C291-H301 VanDerWaalsContact CA-O 3.26Å; C291-H301 WeakPolarHBondContact CA-O 3.22Å; C291-W363 HydrophobicContact CB-CH2 3.95Å; C291-W363 HydrophobicContact CB-CZ2 4.21Å
292T91.4Very high88Confident30 Ų3053.6 Ų53.618%0.18427%0.267CS..EExtended strand (participates in β ladder)trans-127.1111.8176.2-64.20000108.3E269 H301E269-T292 HydrophobicContact CG-CG2 3.96Å; E269-T292 WeakPolarHBondContact OE1-CG2 3.38Å; T292-H301 PolarHBondContact N-O 3.17Å; T292-H301 PolarHBondContact O-N 3.41Å
293F90.4Very high88.7Confident5 Ų547.4 Ų47.42%0.02224%0.241CC..EExtended strand (participates in β ladder)trans-96.2125.7174.8179.7-107.9000110.4S267 S268 K295 K298 I299 L300 L321 W363 A366 M367S267-F293 CarbonylContact C-O 3.59Å; S267-F293 WeakPolarHBondContact CA-O 3.45Å; S267-F293 WeakPolarHBondContact CB-O 3.32Å; S268-F293 PolarHBondContact N-O 2.8Å; S268-F293 PolarHBondContact O-N 3.49Å; F293-K295 HydrophobicContact CD1-CG 4.19Å; F293-K295 HydrophobicContact CE1-CB 4.41Å; F293-K295 HydrophobicContact CE1-CG 4.15Å; F293-K298 HydrophobicContact CE2-CB 4.3Å; F293-K298 HydrophobicContact CZ-CB 4.29Å; F293-K298 HydrophobicContact CZ-CG 4.45Å; F293-I299 CarbonylContact C-O 3.51Å; F293-I299 WeakPolarHBondContact CA-O 3.48Å; F293-L300 HydrophobicContact CB-CD1 3.89Å; F293-L300 HydrophobicContact CD2-CB 4.26Å; F293-L300 HydrophobicContact CD2-CD1 4.44Å; F293-L321 HydrophobicContact CD2-CD1 4.36Å; F293-L321 HydrophobicContact CD2-CD2 4.29Å; F293-L321 HydrophobicContact CE2-CB 4.38Å; F293-L321 HydrophobicContact CE2-CD1 4.14Å; F293-L321 HydrophobicContact CE2-CD2 3.81Å; F293-L321 HydrophobicContact CE2-CG 4.3Å; F293-W363 HydrophobicContact CB-CZ3 3.94Å; F293-A366 WeakPolarHBondContact CE1-O 3.31Å; F293-M367 HydrophobicContact CD2-CG 4.44Å; F293-M367 HydrophobicContact CG-CG 4.48Å
294V89.8Confident88.8Confident25 Ų2547.4 Ų47.415%0.15223%0.231CC..EExtended strand (participates in β ladder)trans-98.1110.2176.7-178.40000108.8E296 Q297 K298 I299V294-E296 PolarHBondContact O-N 3.37Å; V294-Q297 HydrophobicContact CB-CB 4.45Å; V294-Q297 HydrophobicContact CG1-CB 4.08Å; V294-Q297 HydrophobicContact CG1-CG 4.02Å; V294-Q297 PolarHBondContact O-N 3.37Å; V294-K298 WeakPolarHBondContact O-CA 3.21Å; V294-K298 PolarHBondContact O-N 3.44Å; V294-I299 PolarHBondContact N-O 3.46Å
295K84.6Confident88.3Confident61 Ų6147.7 Ų47.727%0.26523%0.226SC..THydrogen-bonded Turntrans-61.1-46.2-165.1-67165.7178.11450113.4P265 I266 S267 S268 F293P265-K295 PolarHBondContact O-NZ 3.49Å; I266-K295 WeakPolarHBondContact O-CB 3.4Å; I266-K295 WeakPolarHBondContact O-CG 3.4Å; I266-K295 PolarHBondContact O-N 3.27Å; S267-K295 WeakPolarHBondContact O-CE 3.39Å; S267-K295 PolarHBondContact O-NZ 2.93Å; S268-K295 WeakPolarHBondContact OG-CE 3.31Å; S268-K295 PolarHBondContact OG-NZ 2.99Å; F293-K295 HydrophobicContact CD1-CG 4.19Å; F293-K295 HydrophobicContact CE1-CB 4.41Å; F293-K295 HydrophobicContact CE1-CG 4.15Å
296E84.4Confident87.6Confident161 Ų16150.1 Ų50.175%0.75224%0.238SC*.THydrogen-bonded Turntrans-67.1-41-177.1-61-179159.400112.6V294V294-E296 PolarHBondContact O-N 3.37Å
297Q86.9Confident86.6Confident117 Ų11755.4 Ų55.455%0.54726%0.264SS..THydrogen-bonded Turntrans-87-15.3-176.1-59.5176.59.700112.4V294 I299V294-Q297 HydrophobicContact CB-CB 4.45Å; V294-Q297 HydrophobicContact CG1-CB 4.08Å; V294-Q297 HydrophobicContact CG1-CG 4.02Å; V294-Q297 PolarHBondContact O-N 3.37Å; Q297-I299 HydrophobicContact CB-CD1 4.09Å; Q297-I299 HydrophobicContact CB-CG1 4.01Å; Q297-I299 PolarHBondContact O-N 2.9Å
298K90.4Very high85.7Confident116 Ų11665 Ų6550%0.50430%0.296SS..THydrogen-bonded Turntrans56.225.7-170.6-57.8-176.9177.7-178.40114.3F293 V294 L321F293-K298 HydrophobicContact CE2-CB 4.3Å; F293-K298 HydrophobicContact CZ-CB 4.29Å; F293-K298 HydrophobicContact CZ-CG 4.45Å; V294-K298 WeakPolarHBondContact O-CA 3.21Å; V294-K298 PolarHBondContact O-N 3.44Å; K298-L321 HydrophobicContact CB-CB 4.31Å; K298-L321 WeakPolarHBondContact O-CB 3.24Å; K298-L321 WeakPolarHBondContact O-CD1 3.34Å; K298-L321 PolarHBondContact O-N 2.68Å
299I91.9Very high84.6Confident38 Ų3864.9 Ų64.920%0.19531%0.305CS..EExtended strand (participates in β ladder)trans-90130.8178.6-60.7175.5000109.5F293 V294 Q297 H301 V319 T320F293-I299 CarbonylContact C-O 3.51Å; F293-I299 WeakPolarHBondContact CA-O 3.48Å; V294-I299 PolarHBondContact N-O 3.46Å; Q297-I299 HydrophobicContact CB-CD1 4.09Å; Q297-I299 HydrophobicContact CB-CG1 4.01Å; Q297-I299 PolarHBondContact O-N 2.9Å; I299-H301 VanDerWaalsContact CG2-CE1 3.48Å; I299-H301 WeakPolarHBondContact CG2-CE1 3.38Å; I299-V319 WeakPolarHBondContact CA-O 3.24Å; I299-T320 HydrophobicContact CG1-CG2 4.48Å
300L92.2Very high83.2Confident0 Ų067.4 Ų67.40%034%0.337CS..EExtended strand (participates in β ladder)trans-103.8110.3168.2-176.971.7000109C291 F293 M302 S318 V319 L321 I340 W363 M367C291-L300 HydrophobicContact CB-CD1 4.08Å; F293-L300 HydrophobicContact CB-CD1 3.89Å; F293-L300 HydrophobicContact CD2-CB 4.26Å; F293-L300 HydrophobicContact CD2-CD1 4.44Å; L300-M302 HydrophobicContact CD2-CG 4.02Å; L300-M302 HydrophobicContact CD2-SD 3.88Å; L300-M302 HydrophobicContact CG-CG 3.87Å; L300-M302 HydrophobicContact CG-SD 4.37Å; L300-S318 WeakPolarHBondContact O-CA 3.21Å; L300-V319 HydrophobicContact CB-CG2 4.13Å; L300-V319 PolarHBondContact N-O 3.14Å; L300-V319 PolarHBondContact O-N 2.93Å; L300-L321 HydrophobicContact CB-CD1 3.47Å; L300-L321 VanDerWaalsContact CB-CD1 3.47Å; L300-I340 HydrophobicContact CD2-CD1 3.85Å; L300-W363 HydrophobicContact CD1-CZ3 4.33Å; L300-M367 HydrophobicContact CD1-CE 4.14Å; L300-M367 HydrophobicContact CD2-CE 4.26Å
301H92.3Very high81.8Confident56 Ų5665.6 Ų65.626%0.25934%0.34SS..EExtended strand (participates in β ladder)trans-83.6141.3166.8-53.2-72.5000109.4C291 T292 I299 T316 E317 S318C291-H301 CarbonylContact C-O 3.6Å; C291-H301 VanDerWaalsContact CA-O 3.26Å; C291-H301 WeakPolarHBondContact CA-O 3.22Å; T292-H301 PolarHBondContact N-O 3.17Å; T292-H301 PolarHBondContact O-N 3.41Å; I299-H301 VanDerWaalsContact CG2-CE1 3.48Å; I299-H301 WeakPolarHBondContact CG2-CE1 3.38Å; H301-T316 HydrophobicContact CB-CG2 4.3Å; H301-E317 CarbonylContact C-O 3.47Å; H301-E317 WeakPolarHBondContact CA-O 3.48Å; H301-S318 PolarHBondContact ND1-OG 3.36Å
302M91.8Very high80.6Confident0 Ų073.5 Ų73.50%037%0.374CS..EExtended strand (participates in β ladder)trans-140.4106.4-173.9-56.5-176.2-72.400110.2V274 R289 Y290 L300 E317 V319 L350V274-M302 HydrophobicContact CG2-SD 4.12Å; R289-M302 HydrophobicContact CB-CB 4.41Å; Y290-M302 WeakPolarHBondContact O-CA 3.34Å; L300-M302 HydrophobicContact CD2-CG 4.02Å; L300-M302 HydrophobicContact CD2-SD 3.88Å; L300-M302 HydrophobicContact CG-CG 3.87Å; L300-M302 HydrophobicContact CG-SD 4.37Å; M302-E317 HydrophobicContact CE-CB 4.23Å; M302-E317 HydrophobicContact CE-CG 3.98Å; M302-E317 PolarHBondContact N-O 3.04Å; M302-E317 PolarHBondContact O-N 3.07Å; M302-V319 HydrophobicContact CE-CG1 4.23Å; M302-V319 HydrophobicContact CE-CG2 3.96Å; M302-L350 HydrophobicContact CE-CD2 4.03Å; M302-L350 HydrophobicContact SD-CD2 3.69Å
303V90.6Very high79.6Confident19 Ų1979.4 Ų79.412%0.11540%0.401CS..EExtended strand (participates in β ladder)trans-103.5129.1-177.2-173.30000110.1R289 Y290 F305 M313 T316R289-V303 CarbonylContact C-O 3.52Å; R289-V303 VanDerWaalsContact CA-O 3.24Å; R289-V303 WeakPolarHBondContact CA-O 3.4Å; R289-V303 WeakPolarHBondContact CB-O 3.34Å; Y290-V303 PolarHBondContact N-O 2.92Å; Y290-V303 PolarHBondContact O-N 3.36Å; V303-F305 PolarHBondContact O-N 3.36Å; V303-M313 HydrophobicContact CG1-CB 3.87Å; V303-M313 HydrophobicContact CG1-CG 4.16Å; V303-T316 HydrophobicContact CG2-CG2 4.01Å
304T83.1Confident78.8Confident49 Ų4980.9 Ų80.930%0.30142%0.419SS..EExtended strand (participates in β ladder)trans-69.9127.3170.954.70000110.4V287 R289 G314 E315V287-T304 HydrophobicContact CG1-CG2 4.48Å; R289-T304 HydrophobicContact CG-CG2 4.32Å; T304-G314 PolarHBondContact O-N 3.17Å; T304-G314 WeakPolarHBondContact OG1-CA 3.33Å; T304-E315 PolarHBondContact N-O 3Å; T304-E315 PolarHBondContact OG1-N 3.25Å
305F72.6Confident78.2Confident58 Ų5887.9 Ų87.925%0.25445%0.449SS..EExtended strand (participates in β ladder)trans-125109.1-179-179.5-97.6000111Y271 V303 H307Y271-F305 HydrophobicContact CE1-CB 4.35Å; Y271-F305 AromaticContact CE1-CD1 3.98Å; Y271-F305 HydrophobicContact CE1-CD1 3.98Å; Y271-F305 HydrophobicContact CE1-CG 4.33Å; V303-F305 PolarHBondContact O-N 3.36Å; F305-H307 HydrophobicContact CE1-CB 4.45Å; F305-H307 AromaticContact CE1-ND1 3.81Å
306D71.3Confident78.4Confident69 Ų6989 Ų8937%0.36946%0.462SS..  trans-101.4123.6171.9173.636.5000111.4R308 S309D306-R308 VanDerWaalsContact C-N 3.33Å; D306-R308 PolarHBondContact OD1-N 3.42Å; D306-R308 WeakPolarHBondContact OD2-CB 3.41Å; D306-R308 PolarHBondContact OD2-N 3.43Å; D306-S309 VanDerWaalsContact OD2-CB 3.24Å; D306-S309 WeakPolarHBondContact OD2-CB 3.42Å; D306-S309 PolarHBondContact OD2-N 3.29Å; D306-S309 PolarHBondContact OD2-OG 3.3Å
307H66.6Low78.6Confident160 Ų16083.7 Ų83.774%0.74144%0.437SS*.THydrogen-bonded Turntrans-75.3-20.4178.1-15259.9000112.9F305F305-H307 HydrophobicContact CE1-CB 4.45Å; F305-H307 AromaticContact CE1-ND1 3.81Å
308R68.9Low78.8Confident237 Ų23780.7 Ų80.789%0.89443%0.429SS*.THydrogen-bonded Turntrans-78-29.2175.6-60.8-175.5176.2-156-1.7112.5D306 G310D306-R308 VanDerWaalsContact C-N 3.33Å; D306-R308 PolarHBondContact OD1-N 3.42Å; D306-R308 WeakPolarHBondContact OD2-CB 3.41Å; D306-R308 PolarHBondContact OD2-N 3.43Å; R308-G310 PolarHBondContact O-N 3.11Å; R308-G310 VanDerWaalsContact O-N 3.17Å
309S65.8Low78.9Confident71 Ų7175.2 Ų75.250%0.49741%0.405SS..THydrogen-bonded Turntrans-8122.6178.1-62.80000114.4D306 G311D306-S309 VanDerWaalsContact OD2-CB 3.24Å; D306-S309 WeakPolarHBondContact OD2-CB 3.42Å; D306-S309 PolarHBondContact OD2-N 3.29Å; D306-S309 PolarHBondContact OD2-OG 3.3Å; S309-G311 VanDerWaalsContact C-N 3.29Å; S309-G311 PolarHBondContact O-N 3.46Å
310G60.8Low78.8Confident74 Ų7475.1 Ų75.176%0.76341%0.406SS*.THydrogen-bonded Turntrans67.922.9178.400000114.7R308 K312R308-G310 PolarHBondContact O-N 3.11Å; R308-G310 VanDerWaalsContact O-N 3.17Å; G310-K312 PolarHBondContact O-N 2.95Å
311G60.8Low78.7Confident31 Ų3175.5 Ų75.532%0.3241%0.408SS..THydrogen-bonded Turntrans77.612.9176.900000115.5S309 M313S309-G311 VanDerWaalsContact C-N 3.29Å; S309-G311 PolarHBondContact O-N 3.46Å; G311-M313 PolarHBondContact O-N 3.44Å
312K66.5Low78.4Confident166 Ų16678.6 Ų78.672%0.72242%0.421SS*.  trans-57.5126.8170.2-72.7-178175.9-178.80110.3G310 G314G310-K312 PolarHBondContact O-N 2.95Å; K312-G314 PolarHBondContact O-N 2.9Å
313M70.7Confident78.1Confident154 Ų15480.4 Ų80.476%0.75943%0.433SS*.EExtended strand (participates in β ladder)trans-64.6129.2167.2-70.2-179.9176.200109.2V303 G311V303-M313 HydrophobicContact CG1-CB 3.87Å; V303-M313 HydrophobicContact CG1-CG 4.16Å; G311-M313 PolarHBondContact O-N 3.44Å
314G73Confident77.8Confident37 Ų3779.8 Ų79.838%0.38143%0.43SS..EExtended strand (participates in β ladder)trans-87.3-152.3170.800000112T304 K312T304-G314 PolarHBondContact O-N 3.17Å; T304-G314 WeakPolarHBondContact OG1-CA 3.33Å; K312-G314 PolarHBondContact O-N 2.9Å
315E77.6Confident77.9Confident171 Ų17181.1 Ų81.180%0.79944%0.438SS*.EExtended strand (participates in β ladder)trans-69142.4-177-63.3-177.716700112.3T304T304-E315 PolarHBondContact N-O 3Å; T304-E315 PolarHBondContact OG1-N 3.25Å
316T87.3Confident78.3Confident85 Ų8584 Ų8452%0.52145%0.447SS..EExtended strand (participates in β ladder)trans-100.7104.6178.6-54.60000110H301 V303H301-T316 HydrophobicContact CB-CG2 4.3Å; V303-T316 HydrophobicContact CG2-CG2 4.01Å
317E89.7Confident78.4Confident50 Ų5083 Ų8323%0.23444%0.439CS..EExtended strand (participates in β ladder)trans-83.5141.9166.4-173.2169.8-166.100109.6R289 H301 M302 R345R289-E317 IonicContact CZ-OE2 2.71Å; R289-E317 IonicContact NH1-OE2 2.73Å; R289-E317 PolarHBondContact NH1-OE2 3.28Å; R289-E317 IonicContact NH2-OE2 3.18Å; R289-E317 PolarHBondContact NH2-OE2 3.19Å; H301-E317 CarbonylContact C-O 3.47Å; H301-E317 WeakPolarHBondContact CA-O 3.48Å; M302-E317 HydrophobicContact CE-CB 4.23Å; M302-E317 HydrophobicContact CE-CG 3.98Å; M302-E317 PolarHBondContact N-O 3.04Å; M302-E317 PolarHBondContact O-N 3.07Å; E317-R345 IonicContact OE1-CZ 2.72Å; E317-R345 IonicContact OE1-NH1 3.15Å; E317-R345 PolarHBondContact OE1-NH1 3.47Å; E317-R345 IonicContact OE1-NH2 3.99Å; E317-R345 PolarHBondContact OE1-NH2 3.24Å
318S91.7Very high78.1Confident54 Ų5479.6 Ų79.638%0.37843%0.43SS..EExtended strand (participates in β ladder)trans-130.2137.8177.1-55.40000110.2L300 H301L300-S318 WeakPolarHBondContact O-CA 3.21Å; H301-S318 PolarHBondContact ND1-OG 3.36Å
319V90.8Very high77.5Confident1 Ų173 Ų731%0.00642%0.416CS..EExtended strand (participates in β ladder)trans-141.4138.1179.6-63.70000111.4I299 L300 M302 L321 I342I299-V319 WeakPolarHBondContact CA-O 3.24Å; L300-V319 HydrophobicContact CB-CG2 4.13Å; L300-V319 PolarHBondContact N-O 3.14Å; L300-V319 PolarHBondContact O-N 2.93Å; M302-V319 HydrophobicContact CE-CG1 4.23Å; M302-V319 HydrophobicContact CE-CG2 3.96Å; V319-L321 HydrophobicContact CG2-CD1 4.38Å; V319-I342 HydrophobicContact CB-CD1 4.17Å; V319-I342 HydrophobicContact CB-CG1 4.09Å; V319-I342 HydrophobicContact CB-CG2 3.96Å; V319-I342 HydrophobicContact CG1-CD1 3.9Å; V319-I342 HydrophobicContact CG1-CG1 4.37Å; V319-I342 HydrophobicContact CG1-CG2 4.28Å; V319-I342 HydrophobicContact CG2-CD1 4.41Å; V319-I342 HydrophobicContact CG2-CG1 4.28Å
320T91.3Very high76.9Confident36 Ų3676 Ų7622%0.22143%0.427CS..EExtended strand (participates in β ladder)trans-88129.2175.4-45.70000110.5I299 T343 D344I299-T320 HydrophobicContact CG1-CG2 4.48Å; T320-T343 PolarHBondContact O-N 3.07Å; T320-D344 VanDerWaalsContact CB-OD1 3.29Å; T320-D344 WeakPolarHBondContact CB-OD1 3.32Å; T320-D344 VanDerWaalsContact CB-OD2 3.24Å; T320-D344 WeakPolarHBondContact CB-OD2 3.35Å; T320-D344 PolarHBondContact N-OD2 3.33Å; T320-D344 PolarHBondContact OG1-OD1 2.7Å; T320-D344 VanDerWaalsContact OG1-OD1 3.06Å; T320-D344 PolarHBondContact OG1-OD2 2.95Å
321L89.5Confident76.7Confident7 Ų780 Ų804%0.03743%0.427CS..EExtended strand (participates in β ladder)trans-84.7129.3-175-85.370.8000112.6F293 K298 L300 V319 I340 M367F293-L321 HydrophobicContact CD2-CD1 4.36Å; F293-L321 HydrophobicContact CD2-CD2 4.29Å; F293-L321 HydrophobicContact CE2-CB 4.38Å; F293-L321 HydrophobicContact CE2-CD1 4.14Å; F293-L321 HydrophobicContact CE2-CD2 3.81Å; F293-L321 HydrophobicContact CE2-CG 4.3Å; K298-L321 HydrophobicContact CB-CB 4.31Å; K298-L321 WeakPolarHBondContact O-CB 3.24Å; K298-L321 WeakPolarHBondContact O-CD1 3.34Å; K298-L321 PolarHBondContact O-N 2.68Å; L300-L321 HydrophobicContact CB-CD1 3.47Å; L300-L321 VanDerWaalsContact CB-CD1 3.47Å; V319-L321 HydrophobicContact CG2-CD1 4.38Å; L321-I340 HydrophobicContact CD1-CG2 4.06Å; L321-I340 HydrophobicContact CD2-CG2 3.66Å; L321-I340 HydrophobicContact CG-CG2 3.45Å; L321-I340 VanDerWaalsContact CG-CG2 3.45Å; L321-M367 HydrophobicContact CD2-CB 3.9Å; L321-M367 HydrophobicContact CD2-CG 3.81Å; L321-M367 HydrophobicContact CD2-SD 3.69Å
322K85.9Confident76.7Confident122 Ų12280.9 Ų80.953%0.5343%0.425SS..EExtended strand (participates in β ladder)trans-87.8-50.5168.3174.1173.4170.8-850110.7E341 T343K322-E341 HydrophobicContact CB-CB 3.93Å; K322-E341 WeakPolarHBondContact CB-O 3.32Å; K322-E341 HydrophobicContact CD-CB 4.36Å; K322-E341 HydrophobicContact CG-CB 4.29Å; K322-E341 PolarHBondContact N-O 3.47Å; K322-E341 IonicContact NZ-OE1 2.75Å; K322-E341 PolarHBondContact NZ-OE1 2.91Å; K322-E341 IonicContact NZ-OE2 3.19Å; K322-E341 PolarHBondContact NZ-OE2 2.88Å; K322-T343 WeakPolarHBondContact CA-OG1 3.48Å; K322-T343 WeakPolarHBondContact CB-OG1 3.38Å; K322-T343 PolarHBondContact N-OG1 3.43Å
323S84.8Confident76.9Confident37 Ų3781.2 Ų81.226%0.25943%0.434SS..EExtended strand (participates in β ladder)trans-156.4164.1175.680.20000111.7E341S323-E341 WeakPolarHBondContact CB-OE2 3.09Å; S323-E341 PolarHBondContact O-N 2.97Å; S323-E341 VanDerWaalsContact OG-CD 3.28Å; S323-E341 WeakPolarHBondContact OG-CG 3.33Å; S323-E341 PolarHBondContact OG-OE2 3.5Å
324C86.2Confident77.3Confident7 Ų779 Ų795%0.04742%0.418CS..EExtended strand (participates in β ladder)trans-131.9127.2177176.90000108.9M367 G369C324-M367 HydrophobicContact CB-CB 3.61Å; C324-M367 HydrophobicContact CB-SD 4.29Å; C324-G369 VanDerWaalsContact O-CA 3.28Å; C324-G369 WeakPolarHBondContact O-CA 3.22Å
325V84Confident77.9Confident77 Ų7785.6 Ų85.647%0.46743%0.431SS..EExtended strand (participates in β ladder)trans-131.9133.5-170.4-172.90000110.9K327 L338 D339V325-K327 PolarHBondContact O-N 3.12Å; V325-L338 CarbonylContact O-C 3.6Å; V325-L338 WeakPolarHBondContact O-CA 3.48Å; V325-D339 PolarHBondContact N-O 2.86Å; V325-D339 PolarHBondContact O-N 2.87Å
326R81.2Confident78.4Confident118 Ų11879.8 Ų79.845%0.44540%0.403SS..EExtended strand (participates in β ladder)trans-67.8124.3172.7172.7163.4-170.81542.7110.3I364 E371R326-I364 HydrophobicContact CB-CD1 4.16Å; R326-E371 IonicContact CZ-OE1 3.91Å; R326-E371 IonicContact NH1-OE1 3.56Å; R326-E371 PolarHBondContact NH1-OE1 3.25Å
327K74.4Confident78.4Confident48 Ų4876 Ų7621%0.20938%0.38CS..PPolyproline II helixtrans-85.2130.3174.1-150.8169.8-168.9128.60108.9V325 L332 C337 D339 T351V325-K327 PolarHBondContact O-N 3.12Å; K327-L332 HydrophobicContact CD-CD1 3.94Å; K327-C337 HydrophobicContact CB-CB 4.1Å; K327-C337 HydrophobicContact CD-CB 4.33Å; K327-C337 PolarHBondContact N-O 3.36Å; K327-D339 WeakPolarHBondContact CD-OD2 3.26Å; K327-D339 WeakPolarHBondContact CE-OD2 3.43Å; K327-D339 IonicContact NZ-OD1 2.74Å; K327-D339 PolarHBondContact NZ-OD1 2.88Å; K327-D339 IonicContact NZ-OD2 3.57Å; K327-D339 PolarHBondContact NZ-OD2 2.91Å; K327-T351 HydrophobicContact CD-CG2 4.13Å; K327-T351 PolarHBondContact NZ-OG1 3.36Å; K327-T351 VanDerWaalsContact NZ-OG1 3.09Å
328T59.3Low78.4Confident88 Ų8873.6 Ų73.654%0.5437%0.369SS..PPolyproline II helixtrans-76.4155.617263.30000110.4D330T328-D330 WeakPolarHBondContact CB-OD2 3.26Å; T328-D330 PolarHBondContact O-N 2.87Å; T328-D330 VanDerWaalsContact O-N 3.11Å; T328-D330 PolarHBondContact OG1-OD2 3.03Å
329T56.9Low78.3Confident98 Ų9872.6 Ų72.660%0.60136%0.359SS*.G310 helixtrans-66.5-13.5-170.9-36.80000113.2M331 L332T329-M331 VanDerWaalsContact C-N 3.25Å; T329-M331 PolarHBondContact O-N 2.87Å; T329-L332 VanDerWaalsContact O-O 3.14Å
330D53.6Low78.3Confident135 Ų13572.6 Ų72.672%0.72236%0.359SS*.G310 helixtrans-79.5-1.1-163.1-36.1-69.5000114.4T328T328-D330 WeakPolarHBondContact CB-OD2 3.26Å; T328-D330 PolarHBondContact O-N 2.87Å; T328-D330 VanDerWaalsContact O-N 3.11Å; T328-D330 PolarHBondContact OG1-OD2 3.03Å
331M55.9Low78.1Confident157 Ų15773.9 Ų73.977%0.77336%0.363SS*.G310 helixtrans-123.5-11.3-178.4-61.9-170.8-174.400114.9T329T329-M331 VanDerWaalsContact C-N 3.25Å; T329-M331 PolarHBondContact O-N 2.87Å
332L61Low78.1Confident51 Ų5173.7 Ų73.727%0.26736%0.362SS..SBendtrans-146.3132.1177.8-68.8177.8000109.2K327 T329 R334 T351K327-L332 HydrophobicContact CD-CD1 3.94Å; T329-L332 VanDerWaalsContact O-O 3.14Å; L332-R334 PolarHBondContact O-N 3.31Å; L332-T351 HydrophobicContact CD1-CG2 3.99Å
333D69.8Low78.1Confident173 Ų17371.3 Ų71.393%0.92536%0.357SS*.SBendtrans-73.752.2176-17430.1000112.4
334R80.3Confident77.9Confident108 Ų10873.8 Ų73.841%0.40837%0.368SS..  trans-148.9121.8-176.8-74.6-167.8171.5-108.3-9111W286 L332W286-R334 VanDerWaalsContact CE2-CD 3.48Å; L332-R334 PolarHBondContact O-N 3.31Å
335R84.6Confident77.9Confident174 Ų17478.2 Ų78.266%0.65738%0.383SS*.SBendtrans-71.7157.2173.8-58.5-170.9-62.6175.70.5111.3C337 Q353R335-C337 VanDerWaalsContact C-N 3.34Å; R335-C337 PolarHBondContact O-N 3.42Å; R335-Q353 PolarHBondContact O-NE2 3.02Å
336F87.8Confident77.4Confident49 Ų4980 Ų8022%0.21540%0.397CS..SBendtrans62.735.2171.1-37.8-50.4000114.3Q353 S354 E357 H360F336-Q353 WeakPolarHBondContact O-CA 3.39Å; F336-S354 WeakPolarHBondContact CB-OG 3.33Å; F336-S354 PolarHBondContact O-N 2.89Å; F336-S354 PolarHBondContact O-OG 2.85Å; F336-E357 HydrophobicContact CD1-CB 4.16Å; F336-E357 HydrophobicContact CD1-CG 4.5Å; F336-E357 HydrophobicContact CE1-CB 3.63Å; F336-E357 HydrophobicContact CE1-CG 4.13Å; F336-E357 HydrophobicContact CZ-CB 4.22Å; F336-H360 VanDerWaalsContact C-CD2 3.41Å; F336-H360 HydrophobicContact CB-CB 4.16Å; F336-H360 PolarHBondContact O-CD2 3.23Å; F336-H360 VanDerWaalsContact O-CD2 3.31Å
337C88.1Confident77.1Confident5 Ų578.5 Ų78.53%0.03442%0.418CS..EExtended strand (participates in β ladder)trans-86.2146.2174.4-69.10000112.4K327 R335 V352 H360K327-C337 HydrophobicContact CB-CB 4.1Å; K327-C337 HydrophobicContact CD-CB 4.33Å; K327-C337 PolarHBondContact N-O 3.36Å; R335-C337 VanDerWaalsContact C-N 3.34Å; R335-C337 PolarHBondContact O-N 3.42Å; C337-V352 CarbonylContact C-O 3.59Å; C337-V352 VanDerWaalsContact CA-O 3.29Å; C337-V352 WeakPolarHBondContact CA-O 3.23Å; C337-H360 PolarHBondContact O-NE2 2.92Å
338L89.6Confident77.5Confident0 Ų079.1 Ų79.10%043%0.426CS..EExtended strand (participates in β ladder)trans-141145.9171.461.194.1000109.8V325 I340 V352 W363 I364 M367V325-L338 CarbonylContact O-C 3.6Å; V325-L338 WeakPolarHBondContact O-CA 3.48Å; L338-I340 HydrophobicContact CD1-CD1 3.89Å; L338-I340 HydrophobicContact CD1-CG1 3.57Å; L338-V352 HydrophobicContact CD1-CG2 3.31Å; L338-V352 HydrophobicContact CD2-CG2 4.46Å; L338-V352 HydrophobicContact CG-CG2 3.65Å; L338-V352 PolarHBondContact N-O 3.43Å; L338-V352 PolarHBondContact O-N 2.95Å; L338-W363 HydrophobicContact CD2-CB 3.98Å; L338-I364 HydrophobicContact CB-CD1 3.87Å; L338-I364 HydrophobicContact CD2-CD1 4.18Å; L338-I364 HydrophobicContact CD2-CG1 4.27Å; L338-M367 HydrophobicContact CD1-SD 4.27Å
339D89Confident78.8Confident34 Ų3478.4 Ų78.418%0.18242%0.421CS..EExtended strand (participates in β ladder)trans-105.5127.1179.7-82.5-23.7000109.5V325 K327 V349 T351V325-D339 PolarHBondContact N-O 2.86Å; V325-D339 PolarHBondContact O-N 2.87Å; K327-D339 WeakPolarHBondContact CD-OD2 3.26Å; K327-D339 WeakPolarHBondContact CE-OD2 3.43Å; K327-D339 IonicContact NZ-OD1 2.74Å; K327-D339 PolarHBondContact NZ-OD1 2.88Å; K327-D339 IonicContact NZ-OD2 3.57Å; K327-D339 PolarHBondContact NZ-OD2 2.91Å; D339-V349 HydrophobicContact CB-CG1 3.61Å; D339-T351 WeakPolarHBondContact OD1-CA 3.44Å; D339-T351 VanDerWaalsContact OD1-CB 3.26Å; D339-T351 WeakPolarHBondContact OD1-CB 3.49Å; D339-T351 WeakPolarHBondContact OD1-CG2 3.4Å; D339-T351 PolarHBondContact OD1-OG1 3.01Å
340I90.3Very high80.3Confident0 Ų074.7 Ų74.70%040%0.397CS..EExtended strand (participates in β ladder)trans-108.5118.6180-53.5-178.7000108.8L300 L321 L338 V349 L350 V352 M367L300-I340 HydrophobicContact CD2-CD1 3.85Å; L321-I340 HydrophobicContact CD1-CG2 4.06Å; L321-I340 HydrophobicContact CD2-CG2 3.66Å; L321-I340 HydrophobicContact CG-CG2 3.45Å; L321-I340 VanDerWaalsContact CG-CG2 3.45Å; L338-I340 HydrophobicContact CD1-CD1 3.89Å; L338-I340 HydrophobicContact CD1-CG1 3.57Å; I340-V349 WeakPolarHBondContact O-CA 3.42Å; I340-L350 HydrophobicContact CB-CB 4.28Å; I340-L350 HydrophobicContact CD1-CD2 4.44Å; I340-L350 PolarHBondContact N-O 3.29Å; I340-L350 PolarHBondContact O-N 3.1Å; I340-V352 HydrophobicContact CD1-CG1 4.34Å; I340-V352 HydrophobicContact CD1-CG2 4.03Å; I340-V352 HydrophobicContact CG1-CG2 4.44Å; I340-M367 HydrophobicContact CD1-CE 3.82Å; I340-M367 HydrophobicContact CD1-SD 3.63Å; I340-M367 HydrophobicContact CG1-SD 4.14Å
341E87.9Confident82Confident64 Ų6468.9 Ų68.930%0.29937%0.367SS..EExtended strand (participates in β ladder)trans-80.2129168.8-68.8-171.2120.700110K322 S323K322-E341 HydrophobicContact CB-CB 3.93Å; K322-E341 WeakPolarHBondContact CB-O 3.32Å; K322-E341 HydrophobicContact CD-CB 4.36Å; K322-E341 HydrophobicContact CG-CB 4.29Å; K322-E341 PolarHBondContact N-O 3.47Å; K322-E341 IonicContact NZ-OE1 2.75Å; K322-E341 PolarHBondContact NZ-OE1 2.91Å; K322-E341 IonicContact NZ-OE2 3.19Å; K322-E341 PolarHBondContact NZ-OE2 2.88Å; S323-E341 WeakPolarHBondContact CB-OE2 3.09Å; S323-E341 PolarHBondContact O-N 2.97Å; S323-E341 VanDerWaalsContact OG-CD 3.28Å; S323-E341 WeakPolarHBondContact OG-CG 3.33Å; S323-E341 PolarHBondContact OG-OE2 3.5Å
342I89.6Confident83.7Confident3 Ų361.4 Ų61.42%0.01533%0.33CS..EExtended strand (participates in β ladder)trans-97.5128.5179.7-60.7164.4000110.2V319 D344 R345 T348 L350V319-I342 HydrophobicContact CB-CD1 4.17Å; V319-I342 HydrophobicContact CB-CG1 4.09Å; V319-I342 HydrophobicContact CB-CG2 3.96Å; V319-I342 HydrophobicContact CG1-CD1 3.9Å; V319-I342 HydrophobicContact CG1-CG1 4.37Å; V319-I342 HydrophobicContact CG1-CG2 4.28Å; V319-I342 HydrophobicContact CG2-CD1 4.41Å; V319-I342 HydrophobicContact CG2-CG1 4.28Å; I342-D344 HydrophobicContact CG2-CB 4.15Å; I342-R345 HydrophobicContact CB-CB 4.3Å; I342-R345 HydrophobicContact CG2-CB 3.94Å; I342-R345 HydrophobicContact CG2-CG 4.04Å; I342-T348 HydrophobicContact CD1-CG2 4.14Å; I342-T348 PolarHBondContact N-O 2.92Å; I342-L350 HydrophobicContact CD1-CB 4.08Å
343T86.2Confident85.2Confident71 Ų7160.3 Ų60.344%0.43632%0.323SS..SBendtrans-66.1-46.4175.2-56.40000111.2T320 K322 R345T320-T343 PolarHBondContact O-N 3.07Å; K322-T343 WeakPolarHBondContact CA-OG1 3.48Å; K322-T343 WeakPolarHBondContact CB-OG1 3.38Å; K322-T343 PolarHBondContact N-OG1 3.43Å; T343-R345 PolarHBondContact O-N 2.86Å
344D81Confident86.2Confident90 Ų9052.2 Ų52.248%0.48128%0.28SS..SBendtrans-71.1-10.9-173.8-41.8-39000113.8T320 I342T320-D344 VanDerWaalsContact CB-OD1 3.29Å; T320-D344 WeakPolarHBondContact CB-OD1 3.32Å; T320-D344 VanDerWaalsContact CB-OD2 3.24Å; T320-D344 WeakPolarHBondContact CB-OD2 3.35Å; T320-D344 PolarHBondContact N-OD2 3.33Å; T320-D344 PolarHBondContact OG1-OD1 2.7Å; T320-D344 VanDerWaalsContact OG1-OD1 3.06Å; T320-D344 PolarHBondContact OG1-OD2 2.95Å; I342-D344 HydrophobicContact CG2-CB 4.15Å
345R84.9Confident86.6Confident99 Ų9951.4 Ų51.437%0.37428%0.284SS..SBendtrans-136.970.7-175.5-56.7-176.1-169.3166.55.3110E317 I342 T343 G347 T348E317-R345 IonicContact OE1-CZ 2.72Å; E317-R345 IonicContact OE1-NH1 3.15Å; E317-R345 PolarHBondContact OE1-NH1 3.47Å; E317-R345 IonicContact OE1-NH2 3.99Å; E317-R345 PolarHBondContact OE1-NH2 3.24Å; I342-R345 HydrophobicContact CB-CB 4.3Å; I342-R345 HydrophobicContact CG2-CB 3.94Å; I342-R345 HydrophobicContact CG2-CG 4.04Å; T343-R345 PolarHBondContact O-N 2.86Å; R345-G347 PolarHBondContact O-N 3.41Å; R345-T348 HydrophobicContact CB-CG2 4.5Å; R345-T348 WeakPolarHBondContact CB-OG1 3.14Å; R345-T348 WeakPolarHBondContact O-CB 3.48Å; R345-T348 PolarHBondContact O-N 3.43Å; R345-T348 PolarHBondContact O-OG1 3.48Å; R345-T348 VanDerWaalsContact O-OG1 3.12Å
346P75.1Confident86.8Confident116 Ų11645.2 Ų45.275%0.75327%0.267SS*.THydrogen-bonded Turntrans-51132.5-174.7-28.436.1000113.1T348P346-T348 VanDerWaalsContact C-N 3.26Å; P346-T348 PolarHBondContact O-N 2.91Å
347G74.8Confident86.6Confident86 Ų8647.1 Ų47.189%0.88728%0.277SS*.THydrogen-bonded Turntrans79.6-3.7-174.900000115.3R345R345-G347 PolarHBondContact O-N 3.41Å
348T82.8Confident86.3Confident60 Ų6049.9 Ų49.937%0.36829%0.291SS..  trans-88.8122.4172.7-52.40000110.5I342 R345 P346I342-T348 HydrophobicContact CD1-CG2 4.14Å; I342-T348 PolarHBondContact N-O 2.92Å; R345-T348 HydrophobicContact CB-CG2 4.5Å; R345-T348 WeakPolarHBondContact CB-OG1 3.14Å; R345-T348 WeakPolarHBondContact O-CB 3.48Å; R345-T348 PolarHBondContact O-N 3.43Å; R345-T348 PolarHBondContact O-OG1 3.48Å; R345-T348 VanDerWaalsContact O-OG1 3.12Å; P346-T348 VanDerWaalsContact C-N 3.26Å; P346-T348 PolarHBondContact O-N 2.91Å
349V85Confident86.1Confident74 Ų7450.7 Ų50.745%0.44830%0.296SS..EExtended strand (participates in β ladder)trans-109.7126.5170.1179.70000108.7D339 I340D339-V349 HydrophobicContact CB-CG1 3.61Å; I340-V349 WeakPolarHBondContact O-CA 3.42Å
350L88.9Confident86Confident19 Ų1949.2 Ų49.210%0.09929%0.288CS..EExtended strand (participates in β ladder)trans-96.5102.3174.8-168.689.2000108.6V274 M302 I340 I342 V352V274-L350 HydrophobicContact CG1-CD1 3.7Å; V274-L350 HydrophobicContact CG1-CD2 4.27Å; V274-L350 HydrophobicContact CG1-CG 4.03Å; M302-L350 HydrophobicContact CE-CD2 4.03Å; M302-L350 HydrophobicContact SD-CD2 3.69Å; I340-L350 HydrophobicContact CB-CB 4.28Å; I340-L350 HydrophobicContact CD1-CD2 4.44Å; I340-L350 PolarHBondContact N-O 3.29Å; I340-L350 PolarHBondContact O-N 3.1Å; I342-L350 HydrophobicContact CD1-CB 4.08Å; L350-V352 HydrophobicContact CD2-CG1 3.65Å; L350-V352 HydrophobicContact CG-CG1 3.93Å
351T89.8Confident85.8Confident14 Ų1452.3 Ų52.39%0.08630%0.301CS..EExtended strand (participates in β ladder)trans-76.4126171.2-56.90000109.3Q275 W286 K327 L332 D339Q275-T351 WeakPolarHBondContact CB-O 3.19Å; Q275-T351 PolarHBondContact N-O 2.8Å; W286-T351 HydrophobicContact CH2-CG2 3.86Å; K327-T351 HydrophobicContact CD-CG2 4.13Å; K327-T351 PolarHBondContact NZ-OG1 3.36Å; K327-T351 VanDerWaalsContact NZ-OG1 3.09Å; L332-T351 HydrophobicContact CD1-CG2 3.99Å; D339-T351 WeakPolarHBondContact OD1-CA 3.44Å; D339-T351 VanDerWaalsContact OD1-CB 3.26Å; D339-T351 WeakPolarHBondContact OD1-CB 3.49Å; D339-T351 WeakPolarHBondContact OD1-CG2 3.4Å; D339-T351 PolarHBondContact OD1-OG1 3.01Å
352V92Very high85.6Confident0 Ų050.7 Ų50.70%029%0.293CS..EExtended strand (participates in β ladder)trans-130.4159.9176.2-50.30000111.4L272 Y273 V274 C337 L338 I340 L350L272-V352 HydrophobicContact CB-CB 4.49Å; L272-V352 HydrophobicContact CD1-CG2 4.18Å; L272-V352 HydrophobicContact CD2-CG2 4.36Å; Y273-V352 CarbonylContact O-C 3.52Å; Y273-V352 WeakPolarHBondContact O-CA 3.18Å; V274-V352 HydrophobicContact CB-CG1 4.41Å; V274-V352 HydrophobicContact CG1-CG1 4.4Å; V274-V352 HydrophobicContact CG2-CG1 4.02Å; C337-V352 CarbonylContact C-O 3.59Å; C337-V352 VanDerWaalsContact CA-O 3.29Å; C337-V352 WeakPolarHBondContact CA-O 3.23Å; L338-V352 HydrophobicContact CD1-CG2 3.31Å; L338-V352 HydrophobicContact CD2-CG2 4.46Å; L338-V352 HydrophobicContact CG-CG2 3.65Å; L338-V352 PolarHBondContact N-O 3.43Å; L338-V352 PolarHBondContact O-N 2.95Å; I340-V352 HydrophobicContact CD1-CG1 4.34Å; I340-V352 HydrophobicContact CD1-CG2 4.03Å; I340-V352 HydrophobicContact CG1-CG2 4.44Å; L350-V352 HydrophobicContact CD2-CG1 3.65Å; L350-V352 HydrophobicContact CG-CG1 3.93Å
353Q91.4Very high85.6Confident27 Ų2750.5 Ų50.513%0.12629%0.292CS..EExtended strand (participates in β ladder)trans-126126.6179.7169.4172.248.100109.9Y273 W286 R335 F336Y273-Q353 PolarHBondContact N-O 2.91Å; Y273-Q353 PolarHBondContact O-N 3.34Å; W286-Q353 HydrophobicContact CE3-CB 4.08Å; W286-Q353 HydrophobicContact CH2-CB 4.33Å; W286-Q353 HydrophobicContact CZ3-CB 3.62Å; R335-Q353 PolarHBondContact O-NE2 3.02Å; F336-Q353 WeakPolarHBondContact O-CA 3.39Å
354S91.4Very high85.6Confident3 Ų347.3 Ų47.32%0.02127%0.272CS..  trans-85.3164.6173.163.20000111.6F336 S356 D359 H360F336-S354 WeakPolarHBondContact CB-OG 3.33Å; F336-S354 PolarHBondContact O-N 2.89Å; F336-S354 PolarHBondContact O-OG 2.85Å; S354-S356 PolarHBondContact OG-O 3.26Å; S354-D359 VanDerWaalsContact CB-OD2 3.28Å; S354-D359 WeakPolarHBondContact CB-OD2 3.27Å; S354-H360 WeakPolarHBondContact OG-CA 3.49Å; S354-H360 VanDerWaalsContact OG-CB 3.28Å; S354-H360 WeakPolarHBondContact OG-CB 3.27Å; S354-H360 PolarHBondContact OG-N 3.01Å
355L89.5Confident85.7Confident92 Ų9250.1 Ų50.148%0.48228%0.282SS..SBendtrans-76.9-27.7-172.1-57.7-175000113.9Y273 D359Y273-L355 HydrophobicContact CD2-CD2 4.03Å; Y273-L355 HydrophobicContact CE2-CD2 3.68Å; L355-D359 PolarHBondContact N-OD2 3.29Å
356S87Confident85.7Confident43 Ų4346.1 Ų46.130%0.30127%0.27SS..SBendtrans-151.7177.4-177.772.70000111.6S354 D358 D359 H360S354-S356 PolarHBondContact OG-O 3.26Å; S356-D358 PolarHBondContact OG-N 3.36Å; S356-D359 PolarHBondContact O-N 2.68Å; S356-D359 WeakPolarHBondContact OG-CB 3.21Å; S356-D359 PolarHBondContact OG-N 2.76Å; S356-H360 WeakPolarHBondContact O-CB 3.46Å; S356-H360 PolarHBondContact O-N 3.3Å
357E84.4Confident86.4Confident90 Ų9041.2 Ų41.242%0.42124%0.237SC..Hα-helixtrans-68.1-38.6173.7-161-176.8135.900112.5F336 D359 H360 K361F336-E357 HydrophobicContact CD1-CB 4.16Å; F336-E357 HydrophobicContact CD1-CG 4.5Å; F336-E357 HydrophobicContact CE1-CB 3.63Å; F336-E357 HydrophobicContact CE1-CG 4.13Å; F336-E357 HydrophobicContact CZ-CB 4.22Å; E357-D359 VanDerWaalsContact C-N 3.31Å; E357-D359 PolarHBondContact O-N 2.95Å; E357-H360 WeakPolarHBondContact O-CB 3.5Å; E357-H360 PolarHBondContact O-N 3.03Å; E357-K361 WeakPolarHBondContact O-CG 3.36Å; E357-K361 PolarHBondContact O-N 3.18Å; E357-K361 WeakPolarHBondContact OE1-CE 3.25Å; E357-K361 IonicContact OE1-NZ 2.72Å; E357-K361 PolarHBondContact OE1-NZ 3.18Å
358D82.2Confident86.5Confident63 Ų6340.1 Ų40.134%0.33723%0.226SC..Hα-helixtrans-62-41.7173-62.22.3000111.4Q258 R261 S356 H360 F362Q258-D358 PolarHBondContact NE2-OD2 2.92Å; R261-D358 IonicContact CZ-OD2 3.68Å; R261-D358 VanDerWaalsContact NH1-CB 3.29Å; R261-D358 IonicContact NH2-OD2 3.84Å; R261-D358 PolarHBondContact NH2-OD2 2.77Å; S356-D358 PolarHBondContact OG-N 3.36Å; D358-H360 VanDerWaalsContact C-N 3.3Å; D358-F362 WeakPolarHBondContact O-CB 3.34Å; D358-F362 PolarHBondContact O-N 3.31Å
359D85.7Confident86.1Confident17 Ų1738.2 Ų38.29%0.09122%0.218CC..Hα-helixtrans-67.9-35.1178.7-167.643.9000110.1S354 L355 S356 E357 F362 W363S354-D359 VanDerWaalsContact CB-OD2 3.28Å; S354-D359 WeakPolarHBondContact CB-OD2 3.27Å; L355-D359 PolarHBondContact N-OD2 3.29Å; S356-D359 PolarHBondContact O-N 2.68Å; S356-D359 WeakPolarHBondContact OG-CB 3.21Å; S356-D359 PolarHBondContact OG-N 2.76Å; E357-D359 VanDerWaalsContact C-N 3.31Å; E357-D359 PolarHBondContact O-N 2.95Å; D359-F362 PolarHBondContact O-N 3.06Å; D359-W363 PolarHBondContact O-N 2.97Å; D359-W363 PolarHBondContact OD1-NE1 3.47Å; D359-W363 VanDerWaalsContact OD1-NE1 3.16Å
360H86.9Confident85Confident3 Ų344.1 Ų44.11%0.01424%0.238CC..Hα-helixtrans-61.7-52.5172.8-166.8-109.9000111.9F336 C337 S354 S356 E357 D358 F362 W363 I364F336-H360 VanDerWaalsContact C-CD2 3.41Å; F336-H360 HydrophobicContact CB-CB 4.16Å; F336-H360 PolarHBondContact O-CD2 3.23Å; F336-H360 VanDerWaalsContact O-CD2 3.31Å; C337-H360 PolarHBondContact O-NE2 2.92Å; S354-H360 WeakPolarHBondContact OG-CA 3.49Å; S354-H360 VanDerWaalsContact OG-CB 3.28Å; S354-H360 WeakPolarHBondContact OG-CB 3.27Å; S354-H360 PolarHBondContact OG-N 3.01Å; S356-H360 WeakPolarHBondContact O-CB 3.46Å; S356-H360 PolarHBondContact O-N 3.3Å; E357-H360 WeakPolarHBondContact O-CB 3.5Å; E357-H360 PolarHBondContact O-N 3.03Å; D358-H360 VanDerWaalsContact C-N 3.3Å; H360-F362 VanDerWaalsContact C-N 3.32Å; H360-F362 PolarHBondContact O-N 3.43Å; H360-W363 PolarHBondContact O-N 3.26Å; H360-I364 WeakPolarHBondContact O-CB 3.15Å; H360-I364 VanDerWaalsContact O-CG1 3.23Å; H360-I364 WeakPolarHBondContact O-CG1 3.24Å; H360-I364 PolarHBondContact O-N 3.43Å
361K84.8Confident83.2Confident65 Ų6547.1 Ų47.128%0.28325%0.251SS..Hα-helixtrans-60.1-42.5176.9-69.9168-175164.60111.5E357 H365E357-K361 WeakPolarHBondContact O-CG 3.36Å; E357-K361 PolarHBondContact O-N 3.18Å; E357-K361 WeakPolarHBondContact OE1-CE 3.25Å; E357-K361 IonicContact OE1-NZ 2.72Å; E357-K361 PolarHBondContact OE1-NZ 3.18Å; K361-H365 VanDerWaalsContact O-CB 3.25Å; K361-H365 WeakPolarHBondContact O-CB 3.43Å; K361-H365 PolarHBondContact O-N 3.35Å
362F84.8Confident80.7Confident29 Ų2952.4 Ų52.413%0.12729%0.286CS..Hα-helixtrans-57.6-52.3175.5173.7-97.1000112.2R261 Q262 D358 D359 H360 H365 A366R261-F362 HydrophobicContact CB-CE2 4.3Å; Q262-F362 HydrophobicContact CG-CE2 3.68Å; Q262-F362 HydrophobicContact CG-CZ 4.09Å; D358-F362 WeakPolarHBondContact O-CB 3.34Å; D358-F362 PolarHBondContact O-N 3.31Å; D359-F362 PolarHBondContact O-N 3.06Å; H360-F362 VanDerWaalsContact C-N 3.32Å; H360-F362 PolarHBondContact O-N 3.43Å; F362-H365 PolarHBondContact O-N 3.18Å; F362-A366 VanDerWaalsContact O-CB 3.27Å; F362-A366 WeakPolarHBondContact O-CB 3.42Å; F362-A366 PolarHBondContact O-N 3.12Å
363W88.2Confident78Confident0 Ų057.8 Ų57.80%033%0.33CS..Hα-helixtrans-69.5-38.9-179.6-76.7113.5000113.2S268 L272 C291 F293 L300 L338 D359 H360 H365 A366 M367S268-W363 WeakPolarHBondContact O-CH2 3.38Å; L272-W363 HydrophobicContact CD1-CD2 4.14Å; L272-W363 HydrophobicContact CD1-CE3 4.49Å; L272-W363 HydrophobicContact CD1-CZ2 4.26Å; L272-W363 HydrophobicContact CD2-CD2 4.35Å; L272-W363 HydrophobicContact CD2-CG 4.06Å; L272-W363 HydrophobicContact CG-CD2 4.45Å; L272-W363 HydrophobicContact CG-CZ2 4.24Å; C291-W363 HydrophobicContact CB-CH2 3.95Å; C291-W363 HydrophobicContact CB-CZ2 4.21Å; F293-W363 HydrophobicContact CB-CZ3 3.94Å; L300-W363 HydrophobicContact CD1-CZ3 4.33Å; L338-W363 HydrophobicContact CD2-CB 3.98Å; D359-W363 PolarHBondContact O-N 2.97Å; D359-W363 PolarHBondContact OD1-NE1 3.47Å; D359-W363 VanDerWaalsContact OD1-NE1 3.16Å; H360-W363 PolarHBondContact O-N 3.26Å; W363-H365 VanDerWaalsContact C-N 3.35Å; W363-H365 PolarHBondContact O-N 2.98Å; W363-A366 PolarHBondContact O-N 2.91Å; W363-M367 HydrophobicContact CB-CE 4.35Å; W363-M367 HydrophobicContact CD2-CE 4.04Å; W363-M367 HydrophobicContact CE3-CE 3.39Å; W363-M367 HydrophobicContact CG-CE 4.48Å; W363-M367 HydrophobicContact CZ3-CE 3.95Å; W363-M367 WeakPolarHBondContact O-CB 3.35Å; W363-M367 VanDerWaalsContact O-CG 3.27Å; W363-M367 WeakPolarHBondContact O-CG 3.44Å; W363-M367 PolarHBondContact O-N 3.01Å
364I86.8Confident75.3Confident4 Ų459.2 Ų59.22%0.02135%0.352CS..Hα-helixtrans-58.5-47.5173-70.8-71.5000110.3R326 L338 H360 G368 G369 E371R326-I364 HydrophobicContact CB-CD1 4.16Å; L338-I364 HydrophobicContact CB-CD1 3.87Å; L338-I364 HydrophobicContact CD2-CD1 4.18Å; L338-I364 HydrophobicContact CD2-CG1 4.27Å; H360-I364 WeakPolarHBondContact O-CB 3.15Å; H360-I364 VanDerWaalsContact O-CG1 3.23Å; H360-I364 WeakPolarHBondContact O-CG1 3.24Å; H360-I364 PolarHBondContact O-N 3.43Å; I364-G368 PolarHBondContact O-N 3.33Å; I364-G369 PolarHBondContact O-N 2.77Å; I364-E371 HydrophobicContact CG2-CG 3.92Å
365H83.9Confident72.8Confident149 Ų14967 Ų6769%0.6939%0.388SS*.Hα-helixtrans-65-49.3178.1-17982.6000112K361 F362 W363 M367 G368K361-H365 VanDerWaalsContact O-CB 3.25Å; K361-H365 WeakPolarHBondContact O-CB 3.43Å; K361-H365 PolarHBondContact O-N 3.35Å; F362-H365 PolarHBondContact O-N 3.18Å; W363-H365 VanDerWaalsContact C-N 3.35Å; W363-H365 PolarHBondContact O-N 2.98Å; H365-M367 VanDerWaalsContact C-N 3.33Å; H365-M367 PolarHBondContact O-N 3.49Å; H365-G368 PolarHBondContact O-N 3.47Å; H365-G368 VanDerWaalsContact O-N 3.12Å
366A84.9Confident70.2Confident14 Ų1472.6 Ų72.612%0.11640%0.404CS..Hα-helixtrans-60.2-40.7-178.500000112.5F293 F362 W363 G368F293-A366 WeakPolarHBondContact CE1-O 3.31Å; F362-A366 VanDerWaalsContact O-CB 3.27Å; F362-A366 WeakPolarHBondContact O-CB 3.42Å; F362-A366 PolarHBondContact O-N 3.12Å; W363-A366 PolarHBondContact O-N 2.91Å; A366-G368 VanDerWaalsContact C-N 3.3Å; A366-G368 PolarHBondContact O-N 2.76Å
367M88.4Confident67.8Low14 Ų1477.7 Ų77.77%0.06943%0.428CS..THydrogen-bonded Turntrans-82.92.2179.1-61-178.1-168.700114.1L272 F293 L300 L321 C324 L338 I340 W363 H365L272-M367 HydrophobicContact CD1-CE 3.98Å; F293-M367 HydrophobicContact CD2-CG 4.44Å; F293-M367 HydrophobicContact CG-CG 4.48Å; L300-M367 HydrophobicContact CD1-CE 4.14Å; L300-M367 HydrophobicContact CD2-CE 4.26Å; L321-M367 HydrophobicContact CD2-CB 3.9Å; L321-M367 HydrophobicContact CD2-CG 3.81Å; L321-M367 HydrophobicContact CD2-SD 3.69Å; C324-M367 HydrophobicContact CB-CB 3.61Å; C324-M367 HydrophobicContact CB-SD 4.29Å; L338-M367 HydrophobicContact CD1-SD 4.27Å; I340-M367 HydrophobicContact CD1-CE 3.82Å; I340-M367 HydrophobicContact CD1-SD 3.63Å; I340-M367 HydrophobicContact CG1-SD 4.14Å; W363-M367 HydrophobicContact CB-CE 4.35Å; W363-M367 HydrophobicContact CD2-CE 4.04Å; W363-M367 HydrophobicContact CE3-CE 3.39Å; W363-M367 HydrophobicContact CG-CE 4.48Å; W363-M367 HydrophobicContact CZ3-CE 3.95Å; W363-M367 WeakPolarHBondContact O-CB 3.35Å; W363-M367 VanDerWaalsContact O-CG 3.27Å; W363-M367 WeakPolarHBondContact O-CG 3.44Å; W363-M367 PolarHBondContact O-N 3.01Å; H365-M367 VanDerWaalsContact C-N 3.33Å; H365-M367 PolarHBondContact O-N 3.49Å
368G78.1Confident65.3Low62 Ų6277 Ų7764%0.63944%0.444SS*.THydrogen-bonded Turntrans73.828.3178.300000115.1I364 H365 A366I364-G368 PolarHBondContact O-N 3.33Å; H365-G368 PolarHBondContact O-N 3.47Å; H365-G368 VanDerWaalsContact O-N 3.12Å; A366-G368 VanDerWaalsContact C-N 3.3Å; A366-G368 PolarHBondContact O-N 2.76Å
369G74.3Confident62.8Low20 Ų2081.2 Ų81.221%0.20646%0.459CS..  trans-70.8166.9170.200000112.9C324 I364C324-G369 VanDerWaalsContact O-CA 3.28Å; C324-G369 WeakPolarHBondContact O-CA 3.22Å; I364-G369 PolarHBondContact O-N 2.77Å
370K60.6Low60.1Low199 Ų19985.9 Ų85.987%0.86549%0.489SS*.  trans-107125.7-178.6-63.9-178.1-179.9-179.70111.6
371E52Low57.8Low82 Ų8292.2 Ų92.238%0.38351%0.514SS..  trans-113.5160.1163.8-68.5-142.1117.300110.9R326 I364R326-E371 IonicContact CZ-OE1 3.91Å; R326-E371 IonicContact NH1-OE1 3.56Å; R326-E371 PolarHBondContact NH1-OE1 3.25Å; I364-E371 HydrophobicContact CG2-CG 3.92Å
372P37.4Very low55.5Low125 Ų12594.1 Ų94.181%0.81254%0.535SS*.  trans-59.2140.1161.9-17.831.9000110.3G374P372-G374 PolarHBondContact O-N 3.12Å
373A34.5Very low53.1Low112 Ų112102.1 Ų102.193%0.92657%0.57SS**  trans-66.6128.6-167.800000113.9
374G35.7Very low50.8Low58 Ų58108.6 Ų108.660%0.59860%0.6SS**  trans-151.2137.4166.400000110.1P372 Y376P372-G374 PolarHBondContact O-N 3.12Å; G374-Y376 PolarHBondContact O-N 3.28Å
375Q39.3Very low48.8Very low165 Ų165116.1 Ų116.177%0.77163%0.628SS**  trans-61120.4-171.5-89.278.8-11.400113.7
376Y33.9Very low47.4Very low210 Ų210113.2 Ų113.282%0.82464%0.638SS**  trans-12090.2143-81.2-87.4000108.4G374 G378G374-Y376 PolarHBondContact O-N 3.28Å; Y376-G378 PolarHBondContact O-N 2.68Å
377L35.9Very low46.3Very low151 Ų151114 Ų11479%0.79164%0.64SS**  trans-74.6111.7169.2-85.6165.1000108.4K379L377-K379 PolarHBondContact O-N 2.97Å
378G32.6Very low45.4Very low74 Ų74118.6 Ų118.676%0.76367%0.665SS**  trans-62105.7166.100000109.4Y376 T380Y376-G378 PolarHBondContact O-N 2.68Å; G378-T380 PolarHBondContact O-N 3.31Å
379K30.5Very low45.5Very low152 Ų152115.7 Ų115.766%0.66164%0.635SS**  trans-65.3114.7171.2-78.8-178.4171.3-174.70108.5L377 Y381 E384L377-K379 PolarHBondContact O-N 2.97Å; K379-Y381 PolarHBondContact O-N 3.28Å; K379-E384 IonicContact NZ-OE1 3.68Å
380T29.5Very low46Very low116 Ų116119.3 Ų119.371%0.71265%0.647SS**  trans-64.5126.3157.634.90000108.4G378 S382G378-T380 PolarHBondContact O-N 3.31Å; T380-S382 PolarHBondContact O-N 3.36Å
381Y37.2Very low47.3Very low136 Ų136111.6 Ų111.653%0.53361%0.614SS.*THydrogen-bonded Turntrans-68.814.8-171-107.6-74.4000115.3E259 K379E259-Y381 WeakPolarHBondContact OE2-CE2 3.32Å; E259-Y381 PolarHBondContact OE2-OH 3.2Å; K379-Y381 PolarHBondContact O-N 3.28Å
382S36.3Very low49Very low105 Ų105110.3 Ų110.373%0.73461%0.61SS**THydrogen-bonded Turntrans-86.6-0.4-172.355.50000115.3T380T380-S382 PolarHBondContact O-N 3.36Å
383K35.7Very low51.3Low196 Ų196109.6 Ų109.685%0.85260%0.6SS**  trans-126.827.4-167.1-140.5172.3-171.5173.60117
384E38.4Very low53.8Low136 Ų136105.3 Ų105.364%0.63656%0.562SS**SBendtrans-110.818.7-174.7-140.2159.1-117.600115.1K379K379-E384 IonicContact NZ-OE1 3.68Å
385R45.4Very low56.4Low163 Ų163102.7 Ų102.762%0.61554%0.535SS*.SBendtrans-123.9-11.8173.2-60.9-172.7-160.5-117-3.4116.1I387R385-I387 HydrophobicContact CB-CD1 4.45Å; R385-I387 PolarHBondContact O-N 3.38Å; R385-I387 VanDerWaalsContact O-N 3.15Å
386G53.7Low58.8Low87 Ų8795.8 Ų95.890%0.89750%0.503SS*.  trans65.411.917800000116.1
387I62.3Low61.4Low32 Ų3288.4 Ų88.416%0.16448%0.482CS..  trans-113120.9-179.8-63.6151.5000108.2R385 A389 L430 I434R385-I387 HydrophobicContact CB-CD1 4.45Å; R385-I387 PolarHBondContact O-N 3.38Å; R385-I387 VanDerWaalsContact O-N 3.15Å; I387-A389 HydrophobicContact CG2-CB 3.9Å; I387-A389 PolarHBondContact O-N 3.44Å; I387-L430 HydrophobicContact CD1-CD2 3.69Å; I387-L430 HydrophobicContact CD1-CG 4.45Å; I387-L430 HydrophobicContact CG1-CD2 4.41Å; I387-L430 HydrophobicContact CG2-CD2 4.15Å; I387-L430 HydrophobicContact CG2-CG 4.24Å; I387-I434 HydrophobicContact CG2-CD1 3.64Å
388D69.4Low64.1Low110 Ų11081.4 Ų81.459%0.58845%0.446SS*.  trans-94.867.9174.4-160.9-11.7000109.4Q390D388-Q390 PolarHBondContact O-N 2.99Å; D388-Q390 WeakPolarHBondContact OD1-CG 3.24Å; D388-Q390 PolarHBondContact OD1-NE2 2.89Å
389A80.4Confident67Low1 Ų178 Ų781%0.00841%0.41CS..  trans-79.6108.9-179.200000109.9I387 I434 Y461 P466I387-A389 HydrophobicContact CG2-CB 3.9Å; I387-A389 PolarHBondContact O-N 3.44Å; A389-I434 HydrophobicContact CB-CD1 3.85Å; A389-Y461 HydrophobicContact CB-CD2 3.99Å; A389-Y461 HydrophobicContact CB-CE2 4.23Å; A389-P466 VanDerWaalsContact O-CD 3.24Å; A389-P466 WeakPolarHBondContact O-CD 3.44Å
390Q85.1Confident70Confident96 Ų9675.8 Ų75.845%0.44940%0.4SS..  trans-110.4159179.2-56.6-165.421.600111.8D388 D392 Y461D388-Q390 PolarHBondContact O-N 2.99Å; D388-Q390 WeakPolarHBondContact OD1-CG 3.24Å; D388-Q390 PolarHBondContact OD1-NE2 2.89Å; Q390-D392 PolarHBondContact O-N 3.42Å; Q390-D392 VanDerWaalsContact O-N 3.08Å; Q390-Y461 PolarHBondContact O-OH 3.15Å
391L87.3Confident72.9Confident36 Ų3671.8 Ų71.819%0.18838%0.375CS..SBendtrans-87.652.7178.7-158.171.3000110.7L465 L469 K504 N505 V508L391-L465 HydrophobicContact CB-CD2 4.39Å; L391-L465 HydrophobicContact CD1-CD1 4.13Å; L391-L465 HydrophobicContact CD1-CD2 4.3Å; L391-L469 HydrophobicContact CD1-CD1 4.09Å; L391-L469 HydrophobicContact CD2-CD1 4.12Å; L391-K504 HydrophobicContact CD2-CB 3.88Å; L391-K504 HydrophobicContact CG-CB 4.24Å; L391-K504 WeakPolarHBondContact O-CD 3.42Å; L391-N505 HydrophobicContact CD2-CB 4.29Å; L391-N505 VanDerWaalsContact CD2-OD1 3.23Å; L391-N505 WeakPolarHBondContact CD2-OD1 3.17Å; L391-V508 HydrophobicContact CD1-CB 4.3Å; L391-V508 HydrophobicContact CD1-CG1 4.32Å; L391-V508 HydrophobicContact CD1-CG2 3.95Å
392D87.9Confident75.6Confident56 Ų5665.3 Ų65.330%0.29935%0.349SS..SBendtrans-96.2-166.8-179.562.142.8000111.6Q390 V394 G395 L396Q390-D392 PolarHBondContact O-N 3.42Å; Q390-D392 VanDerWaalsContact O-N 3.08Å; D392-V394 WeakPolarHBondContact OD1-CA 3.29Å; D392-V394 WeakPolarHBondContact OD1-CB 3.47Å; D392-V394 PolarHBondContact OD1-N 2.91Å; D392-G395 PolarHBondContact OD1-N 2.94Å; D392-L396 WeakPolarHBondContact O-CB 3.32Å; D392-L396 PolarHBondContact O-N 2.83Å
393D86.8Confident78.5Confident109 Ų10961.2 Ų61.258%0.58332%0.319SS*.Hα-helixtrans-84.4-19.4-175.2-54.4-46.1000112.6S397 K504D393-S397 WeakPolarHBondContact O-CB 3.37Å; D393-S397 PolarHBondContact O-N 3.25Å; D393-K504 VanDerWaalsContact CG-NZ 3.26Å; D393-K504 IonicContact OD1-NZ 2.9Å; D393-K504 PolarHBondContact OD1-NZ 3.08Å; D393-K504 IonicContact OD2-NZ 2.67Å; D393-K504 PolarHBondContact OD2-NZ 3.18Å
394V87.4Confident81.3Confident22 Ų2255.6 Ų55.613%0.13330%0.298CS..Hα-helixtrans-72.9-49.1168.7179.90000109.3D392 L396 S397 F398 E436D392-V394 WeakPolarHBondContact OD1-CA 3.29Å; D392-V394 WeakPolarHBondContact OD1-CB 3.47Å; D392-V394 PolarHBondContact OD1-N 2.91Å; V394-L396 VanDerWaalsContact C-N 3.31Å; V394-L396 PolarHBondContact O-N 2.99Å; V394-S397 WeakPolarHBondContact O-CA 3.38Å; V394-S397 VanDerWaalsContact O-CB 3.31Å; V394-S397 WeakPolarHBondContact O-CB 3.45Å; V394-S397 PolarHBondContact O-N 3.14Å; V394-F398 PolarHBondContact O-N 3.41Å; V394-E436 HydrophobicContact CG2-CG 4.38Å
395G88.3Confident83.9Confident3 Ų349.2 Ų49.23%0.03127%0.268CS..Hα-helixtrans-59.3-38.7173.500000113D392 V399 Y461D392-G395 PolarHBondContact OD1-N 2.94Å; G395-V399 VanDerWaalsContact O-CG2 3.31Å; G395-V399 WeakPolarHBondContact O-CG2 3.41Å; G395-V399 PolarHBondContact O-N 2.95Å; G395-Y461 VanDerWaalsContact CA-OH 3.29Å; G395-Y461 WeakPolarHBondContact CA-OH 3.47Å
396L90.5Very high86.3Confident21 Ų2141.4 Ų41.411%0.1124%0.239CC..Hα-helixtrans-65.9-37.6171.817962.7000112.6D392 V394 K400 L507 V508 L511D392-L396 WeakPolarHBondContact O-CB 3.32Å; D392-L396 PolarHBondContact O-N 2.83Å; V394-L396 VanDerWaalsContact C-N 3.31Å; V394-L396 PolarHBondContact O-N 2.99Å; L396-K400 WeakPolarHBondContact O-CG 3.25Å; L396-K400 PolarHBondContact O-N 3.1Å; L396-L507 HydrophobicContact CD1-CD2 4.28Å; L396-L507 HydrophobicContact CD1-CG 4.46Å; L396-L507 HydrophobicContact CD2-CD2 3.98Å; L396-V508 HydrophobicContact CD1-CG2 3.75Å; L396-L511 HydrophobicContact CD1-CD1 3.76Å
397S89.4Confident88.3Confident55 Ų5540.3 Ų40.339%0.38521%0.211SC..Hα-helixtrans-63.8-49.3174.4-1690000111D393 V394 V399 K400 N401D393-S397 WeakPolarHBondContact O-CB 3.37Å; D393-S397 PolarHBondContact O-N 3.25Å; V394-S397 WeakPolarHBondContact O-CA 3.38Å; V394-S397 VanDerWaalsContact O-CB 3.31Å; V394-S397 WeakPolarHBondContact O-CB 3.45Å; V394-S397 PolarHBondContact O-N 3.14Å; S397-V399 PolarHBondContact O-N 2.77Å; S397-K400 PolarHBondContact O-N 3.21Å; S397-N401 WeakPolarHBondContact O-CB 3.5Å; S397-N401 PolarHBondContact O-N 2.86Å
398F90.9Very high89.8Confident4 Ų443.2 Ų43.22%0.01823%0.23CC..Hα-helixtrans-56.1-45.8176169-115000112.4V394 K400 N401 A402 M433 L443 T457 L458 Y461V394-F398 PolarHBondContact O-N 3.41Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-K400 PolarHBondContact O-N 3.18Å; F398-N401 PolarHBondContact O-N 2.85Å; F398-A402 HydrophobicContact CD2-CB 4.46Å; F398-A402 HydrophobicContact CE2-CB 4.01Å; F398-A402 HydrophobicContact CZ-CB 4.21Å; F398-A402 VanDerWaalsContact O-CB 3.26Å; F398-A402 WeakPolarHBondContact O-CB 3.47Å; F398-A402 PolarHBondContact O-N 2.89Å; F398-M433 HydrophobicContact CB-CB 4.28Å; F398-M433 HydrophobicContact CD2-CB 3.49Å; F398-M433 VanDerWaalsContact CD2-CB 3.49Å; F398-M433 HydrophobicContact CD2-CG 3.51Å; F398-M433 HydrophobicContact CD2-SD 3.76Å; F398-M433 HydrophobicContact CE2-CB 4Å; F398-M433 HydrophobicContact CE2-CG 3.82Å; F398-M433 HydrophobicContact CE2-SD 4.44Å; F398-M433 HydrophobicContact CG-CB 3.89Å; F398-M433 HydrophobicContact CG-CG 4.39Å; F398-L443 HydrophobicContact CD2-CD1 4.39Å; F398-L443 HydrophobicContact CE2-CD1 4.09Å; F398-T457 HydrophobicContact CE2-CG2 4.39Å; F398-T457 HydrophobicContact CZ-CG2 3.76Å; F398-L458 HydrophobicContact CE1-CD1 4.3Å; F398-L458 HydrophobicContact CZ-CB 4.49Å; F398-Y461 HydrophobicContact CD1-CD1 4.15Å; F398-Y461 HydrophobicContact CD1-CD2 4.31Å; F398-Y461 AromaticContact CD1-CG 3.97Å; F398-Y461 HydrophobicContact CD1-CG 3.97Å; F398-Y461 HydrophobicContact CE1-CD1 4.22Å; F398-Y461 AromaticContact CE1-CG 3.93Å; F398-Y461 HydrophobicContact CE1-CG 3.93Å
399V93.8Very high90.9Very high1 Ų142.3 Ų42.31%0.00622%0.218CC..Hα-helixtrans-58.3-45.7177.5169.50000111.5G395 S397 I403 L458 Y461 V508G395-V399 VanDerWaalsContact O-CG2 3.31Å; G395-V399 WeakPolarHBondContact O-CG2 3.41Å; G395-V399 PolarHBondContact O-N 2.95Å; S397-V399 PolarHBondContact O-N 2.77Å; V399-I403 HydrophobicContact CG1-CD1 3.77Å; V399-I403 WeakPolarHBondContact O-CB 3.24Å; V399-I403 VanDerWaalsContact O-CG1 3.26Å; V399-I403 WeakPolarHBondContact O-CG1 3.29Å; V399-I403 PolarHBondContact O-N 2.84Å; V399-L458 HydrophobicContact CB-CD1 4.44Å; V399-L458 HydrophobicContact CG1-CD1 4.48Å; V399-L458 HydrophobicContact CG2-CD1 3.87Å; V399-Y461 HydrophobicContact CG2-CD1 3.94Å; V399-Y461 HydrophobicContact CG2-CE1 3.46Å; V399-Y461 VanDerWaalsContact CG2-CE1 3.46Å; V399-V508 HydrophobicContact CG1-CG1 4.44Å; V399-V508 HydrophobicContact CG2-CG1 4.28Å
400K93.4Very high91.4Very high107 Ų10742.3 Ų42.347%0.46522%0.218SC..Hα-helixtrans-64.6-45.8178.3-69.5169-178.1172.50112L396 S397 F398 I403 N404 L511L396-K400 WeakPolarHBondContact O-CG 3.25Å; L396-K400 PolarHBondContact O-N 3.1Å; S397-K400 PolarHBondContact O-N 3.21Å; F398-K400 VanDerWaalsContact C-N 3.35Å; F398-K400 PolarHBondContact O-N 3.18Å; K400-I403 PolarHBondContact O-N 3.49Å; K400-N404 WeakPolarHBondContact O-CB 3.42Å; K400-N404 PolarHBondContact O-N 3.06Å; K400-L511 HydrophobicContact CG-CD1 4.18Å
401N91.9Very high92Very high32 Ų3238.7 Ų38.717%0.17120%0.202CC..Hα-helixtrans-62.3-46.9179.7-173.1-1.8000111.3S397 F398 N404 A405 V441 L443S397-N401 WeakPolarHBondContact O-CB 3.5Å; S397-N401 PolarHBondContact O-N 2.86Å; F398-N401 PolarHBondContact O-N 2.85Å; N401-N404 PolarHBondContact O-N 2.59Å; N401-A405 WeakPolarHBondContact O-CB 3.45Å; N401-A405 PolarHBondContact O-N 2.84Å; N401-V441 PolarHBondContact ND2-O 2.86Å; N401-L443 WeakPolarHBondContact OD1-CB 3.45Å; N401-L443 PolarHBondContact OD1-N 2.94Å
402A94.1Very high92.4Very high0 Ų040.7 Ų40.70%021%0.213CC..Hα-helixtrans-62.7-43.217600000112.8F398 A405 I406 L443 I454 L458F398-A402 HydrophobicContact CD2-CB 4.46Å; F398-A402 HydrophobicContact CE2-CB 4.01Å; F398-A402 HydrophobicContact CZ-CB 4.21Å; F398-A402 VanDerWaalsContact O-CB 3.26Å; F398-A402 WeakPolarHBondContact O-CB 3.47Å; F398-A402 PolarHBondContact O-N 2.89Å; A402-A405 PolarHBondContact O-N 3.12Å; A402-I406 WeakPolarHBondContact O-CD1 3.48Å; A402-I406 VanDerWaalsContact O-CG1 3.23Å; A402-I406 WeakPolarHBondContact O-CG1 3.44Å; A402-I406 PolarHBondContact O-N 2.82Å; A402-I406 VanDerWaalsContact O-N 3.09Å; A402-L443 HydrophobicContact CB-CD1 4.34Å; A402-I454 HydrophobicContact CB-CG2 3.79Å; A402-L458 HydrophobicContact CB-CB 4.47Å; A402-L458 HydrophobicContact CB-CD2 4.22Å
403I96.2Very high92.7Very high18 Ų1841.5 Ų41.59%0.09222%0.217CC..Hα-helixtrans-61.3-51.1174.9-75.4170.1000110.6V399 K400 A405 I406 E407 L458 H515V399-I403 HydrophobicContact CG1-CD1 3.77Å; V399-I403 WeakPolarHBondContact O-CB 3.24Å; V399-I403 VanDerWaalsContact O-CG1 3.26Å; V399-I403 WeakPolarHBondContact O-CG1 3.29Å; V399-I403 PolarHBondContact O-N 2.84Å; K400-I403 PolarHBondContact O-N 3.49Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.31Å; I403-I406 PolarHBondContact O-N 3.45Å; I403-I406 VanDerWaalsContact O-N 3.11Å; I403-E407 HydrophobicContact CG2-CG 4.4Å; I403-E407 PolarHBondContact O-N 2.9Å; I403-L458 HydrophobicContact CG1-CD2 4.24Å; I403-H515 HydrophobicContact CD1-CB 3.96Å; I403-H515 HydrophobicContact CG1-CB 4.01Å; I403-H515 HydrophobicContact CG2-CB 3.8Å
404N94.8Very high93Very high79 Ų7942.6 Ų42.642%0.42222%0.219SC..Hα-helixtrans-56.8-42.4179.4-175.765.4000111.8K400 N401 T408K400-N404 WeakPolarHBondContact O-CB 3.42Å; K400-N404 PolarHBondContact O-N 3.06Å; N401-N404 PolarHBondContact O-N 2.59Å; N404-T408 WeakPolarHBondContact O-CB 3.42Å; N404-T408 PolarHBondContact O-N 2.85Å; N404-T408 PolarHBondContact O-OG1 3.35Å
405A93.7Very high93.2Very high1 Ų142 Ų421%0.00822%0.217CC..Hα-helixtrans-62.9-43.4176.300000113.1N401 A402 I403 R409 L443 I454N401-A405 WeakPolarHBondContact O-CB 3.45Å; N401-A405 PolarHBondContact O-N 2.84Å; A402-A405 PolarHBondContact O-N 3.12Å; I403-A405 VanDerWaalsContact C-N 3.28Å; I403-A405 PolarHBondContact O-N 3.31Å; A405-R409 VanDerWaalsContact O-CG 3.22Å; A405-R409 WeakPolarHBondContact O-CG 3.48Å; A405-R409 PolarHBondContact O-N 3.1Å; A405-L443 VanDerWaalsContact CB-C 3.42Å; A405-L443 HydrophobicContact CB-CB 3.62Å; A405-L443 VanDerWaalsContact CB-O 3.32Å; A405-L443 WeakPolarHBondContact CB-O 3.49Å; A405-I454 HydrophobicContact CB-CD1 4.1Å
406I95.9Very high93.5Very high0 Ų042.1 Ų42.10%022%0.217CC..Hα-helixtrans-67.7-45179.1-64.7160.9000110.4A402 I403 G410 I411 L416 Y417 V451 I454 T455A402-I406 WeakPolarHBondContact O-CD1 3.48Å; A402-I406 VanDerWaalsContact O-CG1 3.23Å; A402-I406 WeakPolarHBondContact O-CG1 3.44Å; A402-I406 PolarHBondContact O-N 2.82Å; A402-I406 VanDerWaalsContact O-N 3.09Å; I403-I406 PolarHBondContact O-N 3.45Å; I403-I406 VanDerWaalsContact O-N 3.11Å; I406-G410 CarbonylContact O-C 3.22Å; I406-G410 VanDerWaalsContact O-C 3.22Å; I406-G410 VanDerWaalsContact O-CA 3.23Å; I406-G410 WeakPolarHBondContact O-CA 3.46Å; I406-G410 PolarHBondContact O-N 3.37Å; I406-I411 PolarHBondContact O-N 3.48Å; I406-L416 HydrophobicContact CG2-CD1 4.25Å; I406-L416 HydrophobicContact CG2-CD2 3.81Å; I406-Y417 HydrophobicContact CD1-CE1 4.29Å; I406-Y417 WeakPolarHBondContact CD1-OH 3.17Å; I406-V451 HydrophobicContact CG1-CG1 4.36Å; I406-I454 HydrophobicContact CD1-CG2 4Å; I406-I454 HydrophobicContact CG1-CG2 4Å; I406-T455 HydrophobicContact CD1-CG2 3.56Å; I406-T455 HydrophobicContact CG1-CG2 3.97Å; I406-T455 HydrophobicContact CG2-CG2 4.43Å
407E95.8Very high93.7Very high64 Ų6441.1 Ų41.130%0.29921%0.212SC..Hα-helixtrans-67.1-38.7178.6-64.8-170.4154.600112.6I403 H515 T518I403-E407 HydrophobicContact CG2-CG 4.4Å; I403-E407 PolarHBondContact O-N 2.9Å; E407-H515 VanDerWaalsContact CD-ND1 3.3Å; E407-H515 VanDerWaalsContact CG-CE1 3.46Å; E407-H515 WeakPolarHBondContact CG-CE1 3.38Å; E407-H515 WeakPolarHBondContact CG-ND1 3.45Å; E407-H515 IonicContact OE1-CE1 2.83Å; E407-H515 IonicContact OE1-CG 3.95Å; E407-H515 IonicContact OE1-ND1 2.66Å; E407-H515 PolarHBondContact OE1-ND1 3.25Å; E407-T518 HydrophobicContact CG-CG2 4.45Å; E407-T518 WeakPolarHBondContact OE1-CB 3.43Å; E407-T518 WeakPolarHBondContact OE1-CG2 3.37Å; E407-T518 PolarHBondContact OE1-OG1 3.34Å
408T92.8Very high93.8Very high93 Ų9346.5 Ų46.557%0.57122%0.223SC*.Hα-helixtrans-71.3-43.4-176.7-57.90000113.4N404N404-T408 WeakPolarHBondContact O-CB 3.42Å; N404-T408 PolarHBondContact O-N 2.85Å; N404-T408 PolarHBondContact O-OG1 3.35Å
409R92.6Very high93.8Very high90 Ų9049.5 Ų49.534%0.3424%0.242SC..Hα-helixtrans-126.9-8.1-172.361.4167.8172.4118-4.9116.3A405 L443 S444 C446 W449A405-R409 VanDerWaalsContact O-CG 3.22Å; A405-R409 WeakPolarHBondContact O-CG 3.48Å; A405-R409 PolarHBondContact O-N 3.1Å; R409-L443 PolarHBondContact NE-O 3.05Å; R409-L443 PolarHBondContact NH2-O 2.85Å; R409-S444 WeakPolarHBondContact CD-O 3.31Å; R409-S444 PolarHBondContact NE-O 2.88Å; R409-C446 PolarHBondContact NH2-O 2.9Å; R409-W449 PolarHBondContact NH1-O 3.43Å; R409-W449 PolarHBondContact NH2-O 2.66Å
410G91.7Very high93.5Very high1 Ų154.4 Ų54.41%0.0127%0.272CS..THydrogen-bonded Turntrans-120.9-1.7-17300000115.8I406 N412 D413 L416I406-G410 CarbonylContact O-C 3.22Å; I406-G410 VanDerWaalsContact O-C 3.22Å; I406-G410 VanDerWaalsContact O-CA 3.23Å; I406-G410 WeakPolarHBondContact O-CA 3.46Å; I406-G410 PolarHBondContact O-N 3.37Å; G410-N412 PolarHBondContact O-N 3.39Å; G410-D413 WeakPolarHBondContact O-CB 3.28Å; G410-D413 PolarHBondContact O-N 3.35Å; G410-L416 WeakPolarHBondContact O-CD1 3.12Å
411I96Very high93.3Very high21 Ų2149.5 Ų49.511%0.10825%0.251CS..THydrogen-bonded Turntrans-61-22.8-166.1-166.556.9000114.6I406 T518 V519 H522 N526I406-I411 PolarHBondContact O-N 3.48Å; I411-T518 HydrophobicContact CD1-CG2 4.08Å; I411-V519 HydrophobicContact CD1-CB 4.45Å; I411-V519 HydrophobicContact CD1-CG2 3.85Å; I411-H522 HydrophobicContact CG1-CB 4.21Å; I411-N526 PolarHBondContact O-ND2 2.93Å
412N95.5Very high93.2Very high78 Ų7851.6 Ų51.642%0.41727%0.265SS..THydrogen-bonded Turntrans-101.7-1.5179.2-63-44.4000113.8G410 Q414 L525G410-N412 PolarHBondContact O-N 3.39Å; N412-Q414 PolarHBondContact O-N 2.98Å; N412-L525 HydrophobicContact CB-CB 4.3Å; N412-L525 HydrophobicContact CB-CD1 4.44Å; N412-L525 WeakPolarHBondContact OD1-CD1 3.37Å
413D94.9Very high92.9Very high73 Ų7355.7 Ų55.739%0.3929%0.294SS..  trans-61.7127.1-179.9-79.416000110.9G410 G415 L416 V451 N526G410-D413 WeakPolarHBondContact O-CB 3.28Å; G410-D413 PolarHBondContact O-N 3.35Å; D413-G415 PolarHBondContact O-N 2.75Å; D413-L416 HydrophobicContact CB-CD2 4.22Å; D413-L416 HydrophobicContact CB-CG 4.31Å; D413-L416 PolarHBondContact O-N 3.07Å; D413-V451 VanDerWaalsContact OD2-CB 3.28Å; D413-V451 WeakPolarHBondContact OD2-CB 3.27Å; D413-V451 WeakPolarHBondContact OD2-CG2 3.09Å; D413-N526 VanDerWaalsContact O-CB 3.25Å; D413-N526 WeakPolarHBondContact O-CB 3.07Å
414Q93.7Very high92.5Very high131 Ų13159 Ų5961%0.61232%0.319SS*.THydrogen-bonded Turntrans-61.5125.7-179.4-71.4-174.4-4.600112N412 L527N412-Q414 PolarHBondContact O-N 2.98Å; Q414-L527 HydrophobicContact CG-CD1 4.3Å; Q414-L527 HydrophobicContact CG-CG 4.5Å
415G91.3Very high92.3Very high10 Ų1059 Ų5910%0.10332%0.315CS..THydrogen-bonded Turntrans73.533.6176.800000114.4D413 Y417 R418 V419 N526D413-G415 PolarHBondContact O-N 2.75Å; G415-Y417 PolarHBondContact O-N 3.23Å; G415-R418 WeakPolarHBondContact O-CA 3.06Å; G415-R418 WeakPolarHBondContact O-CB 3.27Å; G415-R418 PolarHBondContact O-N 2.75Å; G415-V419 PolarHBondContact O-N 2.7Å; G415-N526 PolarHBondContact N-O 3.27Å
416L94.4Very high92.2Very high5 Ų559.5 Ų59.53%0.02632%0.318CS..THydrogen-bonded Turntrans-39.2131.5167.5-83.4175.9000112I406 G410 D413 R418 V451 T455 V519 N526 M528I406-L416 HydrophobicContact CG2-CD1 4.25Å; I406-L416 HydrophobicContact CG2-CD2 3.81Å; G410-L416 WeakPolarHBondContact O-CD1 3.12Å; D413-L416 HydrophobicContact CB-CD2 4.22Å; D413-L416 HydrophobicContact CB-CG 4.31Å; D413-L416 PolarHBondContact O-N 3.07Å; L416-R418 PolarHBondContact O-N 3.14Å; L416-V451 HydrophobicContact CD2-CG1 3.49Å; L416-V451 VanDerWaalsContact CD2-CG1 3.49Å; L416-T455 HydrophobicContact CD2-CG2 3.76Å; L416-V519 HydrophobicContact CB-CG1 4.22Å; L416-V519 HydrophobicContact CD1-CG1 3.86Å; L416-V519 HydrophobicContact CD1-CG2 4.06Å; L416-N526 HydrophobicContact CD1-CB 4.28Å; L416-M528 HydrophobicContact CB-CG 4.25Å; L416-M528 WeakPolarHBondContact O-CE 3.41Å; L416-M528 VanDerWaalsContact O-CG 3.31Å; L416-M528 WeakPolarHBondContact O-CG 3.32Å
417Y95.2Very high91.8Very high1 Ų163.6 Ų63.60%0.00434%0.337CS..THydrogen-bonded Turntrans59.2-14.5-173.9-58.6-77.8000117.3I406 G415 T455 L458 K459 H515 L516 V519 L533 F537I406-Y417 HydrophobicContact CD1-CE1 4.29Å; I406-Y417 WeakPolarHBondContact CD1-OH 3.17Å; G415-Y417 PolarHBondContact O-N 3.23Å; Y417-T455 VanDerWaalsContact CD1-CB 3.46Å; Y417-T455 HydrophobicContact CD1-CG2 3.84Å; Y417-T455 WeakPolarHBondContact CD1-O 3.37Å; Y417-T455 HydrophobicContact CD2-CG2 4.21Å; Y417-T455 HydrophobicContact CE1-CG2 3.8Å; Y417-T455 HydrophobicContact CE2-CG2 4.18Å; Y417-T455 HydrophobicContact CG-CG2 4.06Å; Y417-L458 HydrophobicContact CE1-CD2 4.18Å; Y417-L458 WeakPolarHBondContact OH-CD2 3.43Å; Y417-K459 HydrophobicContact CD1-CD 4.2Å; Y417-K459 HydrophobicContact CD1-CG 4Å; Y417-K459 WeakPolarHBondContact O-CE 3.46Å; Y417-K459 PolarHBondContact O-NZ 2.97Å; Y417-H515 AromaticContact CE2-NE2 3.55Å; Y417-H515 AromaticContact CZ-CD2 3.99Å; Y417-H515 AromaticContact CZ-NE2 3.69Å; Y417-H515 PolarHBondContact OH-CD2 3.25Å; Y417-H515 PolarHBondContact OH-NE2 3.4Å; Y417-L516 HydrophobicContact CD2-CD2 4.14Å; Y417-L516 HydrophobicContact CE2-CD2 3.79Å; Y417-V519 HydrophobicContact CE2-CG2 4.44Å; Y417-L533 HydrophobicContact CD2-CD2 4.36Å; Y417-F537 AromaticContact CD1-CE2 3.9Å; Y417-F537 HydrophobicContact CD1-CE2 3.9Å; Y417-F537 AromaticContact CD1-CZ 3.6Å; Y417-F537 HydrophobicContact CD1-CZ 3.6Å; Y417-F537 AromaticContact CD2-CE2 3.99Å; Y417-F537 HydrophobicContact CD2-CE2 3.99Å; Y417-F537 HydrophobicContact CD2-CZ 4.3Å; Y417-F537 HydrophobicContact CE1-CE2 4.35Å; Y417-F537 AromaticContact CE1-CZ 3.72Å; Y417-F537 HydrophobicContact CE1-CZ 3.72Å; Y417-F537 HydrophobicContact CE2-CE2 4.42Å; Y417-F537 HydrophobicContact CE2-CZ 4.39Å; Y417-F537 AromaticContact CG-CE2 3.69Å; Y417-F537 HydrophobicContact CG-CE2 3.69Å; Y417-F537 AromaticContact CG-CZ 3.89Å; Y417-F537 HydrophobicContact CG-CZ 3.89Å
418R91.2Very high91.4Very high167 Ų16766.9 Ų66.963%0.6335%0.35SS*.THydrogen-bonded Turntrans-87-43.9172.9-178.7177.4173.9-164.7-4.2111.8G415 L416 M528G415-R418 WeakPolarHBondContact O-CA 3.06Å; G415-R418 WeakPolarHBondContact O-CB 3.27Å; G415-R418 PolarHBondContact O-N 2.75Å; L416-R418 PolarHBondContact O-N 3.14Å; R418-M528 HydrophobicContact CB-CE 3.94Å; R418-M528 HydrophobicContact CB-SD 3.72Å
419V90.1Very high91.3Very high68 Ų6862.4 Ų62.441%0.41232%0.323SS..SBendtrans-67.8140.7173.1178.50000109.5G415 K452G415-V419 PolarHBondContact O-N 2.7Å; V419-K452 HydrophobicContact CG1-CB 4.19Å; V419-K452 HydrophobicContact CG1-CD 4.14Å
420V88.4Confident91.1Very high104 Ų10458.1 Ų58.163%0.6331%0.307SS*.PPolyproline II helixtrans-99.6128.4-175.4-177.30000110
421G89.1Confident90.9Very high3 Ų361.5 Ų61.53%0.03133%0.33CS..PPolyproline II helixtrans-75.9159.7172.900000112.4S423 K452 S456G421-S423 PolarHBondContact O-N 3.3Å; G421-S423 VanDerWaalsContact O-N 3.14Å; G421-K452 WeakPolarHBondContact CA-O 3.5Å; G421-K452 PolarHBondContact N-O 3.28Å; G421-S456 PolarHBondContact N-OG 3.35Å
422V90.4Very high90.4Very high77 Ų7763.7 Ų63.747%0.46734%0.342SS..PPolyproline II helixtrans-62.2118.2-176.7-178.90000109.9S424 K425 V426V422-S424 VanDerWaalsContact C-N 3.28Å; V422-S424 PolarHBondContact O-N 3.38Å; V422-S424 VanDerWaalsContact O-N 3.11Å; V422-K425 HydrophobicContact CB-CB 4.32Å; V422-K425 HydrophobicContact CB-CG 4.49Å; V422-K425 WeakPolarHBondContact O-CA 3.3Å; V422-K425 WeakPolarHBondContact O-CB 3.49Å; V422-K425 PolarHBondContact O-N 2.86Å; V422-V426 PolarHBondContact O-N 2.71Å
423S86.5Confident89.7Confident86 Ų8660.7 Ų60.760%0.60133%0.325SS*.Hα-helixtrans-54.6-38.6-168.1-49.10000114.1G421 V426 Q427G421-S423 PolarHBondContact O-N 3.3Å; G421-S423 VanDerWaalsContact O-N 3.14Å; S423-V426 PolarHBondContact O-N 2.84Å; S423-Q427 VanDerWaalsContact O-CG 3.27Å; S423-Q427 WeakPolarHBondContact O-CG 3.5Å; S423-Q427 PolarHBondContact O-N 3.15Å
424S88.6Confident88.9Confident88 Ų8859.1 Ų59.162%0.61532%0.316SS*.Hα-helixtrans-67.7-36.6176.352.70000113.3V422 K428V422-S424 VanDerWaalsContact C-N 3.28Å; V422-S424 PolarHBondContact O-N 3.38Å; V422-S424 VanDerWaalsContact O-N 3.11Å; S424-K428 WeakPolarHBondContact O-CB 3.42Å; S424-K428 PolarHBondContact O-N 2.82Å; S424-K428 VanDerWaalsContact O-N 3.09Å
425K90.9Very high88.1Confident79 Ų7956.4 Ų56.434%0.34331%0.306SS..Hα-helixtrans-65.6-44.3170.5-80.2-159.2173.1-166.10111V422 Q427 K428 L429 D448 W449 T453V422-K425 HydrophobicContact CB-CB 4.32Å; V422-K425 HydrophobicContact CB-CG 4.49Å; V422-K425 WeakPolarHBondContact O-CA 3.3Å; V422-K425 WeakPolarHBondContact O-CB 3.49Å; V422-K425 PolarHBondContact O-N 2.86Å; K425-Q427 PolarHBondContact O-N 3.01Å; K425-K428 PolarHBondContact O-N 3.04Å; K425-L429 WeakPolarHBondContact O-CB 3.5Å; K425-L429 PolarHBondContact O-N 3.2Å; K425-D448 PolarHBondContact NZ-O 2.74Å; K425-W449 HydrophobicContact CB-CE3 4.42Å; K425-W449 HydrophobicContact CB-CZ3 3.92Å; K425-W449 HydrophobicContact CD-CE3 4.36Å; K425-W449 HydrophobicContact CD-CZ3 4.34Å; K425-W449 HydrophobicContact CG-CZ3 4.16Å; K425-W449 WeakPolarHBondContact O-CZ3 3.48Å; K425-T453 HydrophobicContact CB-CG2 3.83Å
426V90.6Very high86.9Confident10 Ų1063.2 Ų63.26%0.06134%0.335CS..Hα-helixtrans-60-46.2179.4172.20000111.7V422 S423 L430 T453 L460V422-V426 PolarHBondContact O-N 2.71Å; S423-V426 PolarHBondContact O-N 2.84Å; V426-L430 WeakPolarHBondContact O-CB 3.45Å; V426-L430 PolarHBondContact O-N 2.92Å; V426-T453 HydrophobicContact CG2-CG2 3.91Å; V426-L460 HydrophobicContact CG1-CB 4.37Å; V426-L460 HydrophobicContact CG1-CD2 3.77Å
427Q87.2Confident85.3Confident86 Ų8671.8 Ų71.840%0.40237%0.372SS..Hα-helixtrans-63.7-46.3175.9-65.2-67-12.100111.5S423 K425 L429 L430 S431S423-Q427 VanDerWaalsContact O-CG 3.27Å; S423-Q427 WeakPolarHBondContact O-CG 3.5Å; S423-Q427 PolarHBondContact O-N 3.15Å; K425-Q427 PolarHBondContact O-N 3.01Å; Q427-L429 PolarHBondContact O-N 3.33Å; Q427-L430 PolarHBondContact O-N 3.38Å; Q427-S431 PolarHBondContact O-N 2.72Å; Q427-S431 VanDerWaalsContact O-N 3.08Å; Q427-S431 PolarHBondContact O-OG 2.72Å
428K89.1Confident83.7Confident133 Ų13373.1 Ų73.158%0.57838%0.382SS*.Hα-helixtrans-60-44.1178.2-175.6-176.2171.1-167.80112.1S424 K425 L432 W449S424-K428 WeakPolarHBondContact O-CB 3.42Å; S424-K428 PolarHBondContact O-N 2.82Å; S424-K428 VanDerWaalsContact O-N 3.09Å; K425-K428 PolarHBondContact O-N 3.04Å; K428-L432 HydrophobicContact CG-CD1 4.03Å; K428-L432 VanDerWaalsContact O-CG 3.3Å; K428-L432 WeakPolarHBondContact O-CG 3.43Å; K428-L432 PolarHBondContact O-N 3.05Å; K428-L432 VanDerWaalsContact O-N 3.15Å; K428-W449 HydrophobicContact CB-CH2 4.19Å; K428-W449 HydrophobicContact CD-CH2 3.96Å; K428-W449 HydrophobicContact CG-CH2 4Å
429L90Very high82.1Confident0 Ų069.5 Ų69.50%038%0.375CS..Hα-helixtrans-66-39.7178.6-179.455.7000111.6K425 Q427 L432 M433 L443 W449 T453 I454 T457K425-L429 WeakPolarHBondContact O-CB 3.5Å; K425-L429 PolarHBondContact O-N 3.2Å; Q427-L429 PolarHBondContact O-N 3.33Å; L429-L432 PolarHBondContact O-N 2.71Å; L429-M433 HydrophobicContact CD1-CE 3.85Å; L429-M433 HydrophobicContact CD1-CG 3.79Å; L429-M433 HydrophobicContact CG-CG 4.37Å; L429-M433 WeakPolarHBondContact O-CB 3.42Å; L429-M433 VanDerWaalsContact O-CG 3.28Å; L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 3.26Å; L429-M433 VanDerWaalsContact O-N 3.1Å; L429-L443 HydrophobicContact CD1-CD2 3.95Å; L429-L443 HydrophobicContact CD2-CD2 4.27Å; L429-W449 HydrophobicContact CB-CD2 4.31Å; L429-W449 HydrophobicContact CB-CE3 4.01Å; L429-W449 HydrophobicContact CB-CH2 3.9Å; L429-W449 HydrophobicContact CB-CZ2 4.25Å; L429-W449 HydrophobicContact CB-CZ3 3.79Å; L429-W449 HydrophobicContact CD1-CD2 4Å; L429-W449 HydrophobicContact CD1-CG 4.27Å; L429-W449 HydrophobicContact CD1-CZ2 4.09Å; L429-W449 HydrophobicContact CD2-CB 4.41Å; L429-W449 HydrophobicContact CD2-CD2 4.08Å; L429-W449 HydrophobicContact CD2-CE3 4.18Å; L429-W449 HydrophobicContact CD2-CG 4.18Å; L429-W449 HydrophobicContact CG-CD2 4.35Å; L429-W449 HydrophobicContact CG-CE3 4.46Å; L429-T453 HydrophobicContact CD2-CG2 4.13Å; L429-I454 HydrophobicContact CD2-CG1 4.14Å; L429-T457 HydrophobicContact CB-CG2 4.18Å; L429-T457 HydrophobicContact CD2-CG2 4.25Å; L429-T457 HydrophobicContact CG-CG2 4Å
430L88.2Confident80.8Confident0 Ų074 Ų740%040%0.396CS..Hα-helixtrans-62.8-44.5178-168.350.5000112.1I387 V426 Q427 L432 M433 I434 T457 L460 Y461I387-L430 HydrophobicContact CD1-CD2 3.69Å; I387-L430 HydrophobicContact CD1-CG 4.45Å; I387-L430 HydrophobicContact CG1-CD2 4.41Å; I387-L430 HydrophobicContact CG2-CD2 4.15Å; I387-L430 HydrophobicContact CG2-CG 4.24Å; V426-L430 WeakPolarHBondContact O-CB 3.45Å; V426-L430 PolarHBondContact O-N 2.92Å; Q427-L430 PolarHBondContact O-N 3.38Å; L430-L432 VanDerWaalsContact C-N 3.35Å; L430-L432 PolarHBondContact O-N 2.95Å; L430-M433 PolarHBondContact O-N 3.2Å; L430-I434 HydrophobicContact CD1-CD1 3.53Å; L430-I434 HydrophobicContact CD1-CG1 4.26Å; L430-I434 HydrophobicContact CG-CD1 3.86Å; L430-I434 WeakPolarHBondContact O-CG1 3.44Å; L430-I434 PolarHBondContact O-N 2.73Å; L430-T457 HydrophobicContact CB-CG2 3.8Å; L430-T457 HydrophobicContact CD1-CG2 4.05Å; L430-T457 HydrophobicContact CG-CG2 4.44Å; L430-L460 HydrophobicContact CD2-CB 4.1Å; L430-L460 HydrophobicContact CD2-CD2 3.55Å; L430-L460 HydrophobicContact CD2-CG 3.53Å; L430-Y461 HydrophobicContact CD1-CD2 4.42Å
431S86.6Confident79.9Confident72 Ų7271.5 Ų71.550%0.50338%0.381SS..Hα-helixtrans-61.7-41.2175.8-56.60000112.4Q427 M433 I434 D435Q427-S431 PolarHBondContact O-N 2.72Å; Q427-S431 VanDerWaalsContact O-N 3.08Å; Q427-S431 PolarHBondContact O-OG 2.72Å; S431-M433 VanDerWaalsContact C-N 3.26Å; S431-M433 PolarHBondContact O-N 3.34Å; S431-I434 PolarHBondContact O-N 3.11Å; S431-D435 PolarHBondContact O-N 2.99Å
432L86.1Confident79.3Confident66 Ų6674.1 Ų74.135%0.34640%0.395SS..Hα-helixtrans-69.3-20.8178.9-72.4168.8000113.9K428 L429 L430 S438 W449K428-L432 HydrophobicContact CG-CD1 4.03Å; K428-L432 VanDerWaalsContact O-CG 3.3Å; K428-L432 WeakPolarHBondContact O-CG 3.43Å; K428-L432 PolarHBondContact O-N 3.05Å; K428-L432 VanDerWaalsContact O-N 3.15Å; L429-L432 PolarHBondContact O-N 2.71Å; L430-L432 VanDerWaalsContact C-N 3.35Å; L430-L432 PolarHBondContact O-N 2.95Å; L432-S438 WeakPolarHBondContact O-CB 3.46Å; L432-S438 PolarHBondContact O-OG 3.44Å; L432-W449 HydrophobicContact CD1-CH2 4.37Å; L432-W449 HydrophobicContact CD1-CZ2 3.87Å
433M82.1Confident79Confident16 Ų1670.4 Ų70.48%0.07937%0.372CS..THydrogen-bonded Turntrans-100.7-0.7-177.7-70.7-73.1166.700113.8F398 L429 L430 S431 V441 L443F398-M433 HydrophobicContact CB-CB 4.28Å; F398-M433 HydrophobicContact CD2-CB 3.49Å; F398-M433 VanDerWaalsContact CD2-CB 3.49Å; F398-M433 HydrophobicContact CD2-CG 3.51Å; F398-M433 HydrophobicContact CD2-SD 3.76Å; F398-M433 HydrophobicContact CE2-CB 4Å; F398-M433 HydrophobicContact CE2-CG 3.82Å; F398-M433 HydrophobicContact CE2-SD 4.44Å; F398-M433 HydrophobicContact CG-CB 3.89Å; F398-M433 HydrophobicContact CG-CG 4.39Å; L429-M433 HydrophobicContact CD1-CE 3.85Å; L429-M433 HydrophobicContact CD1-CG 3.79Å; L429-M433 HydrophobicContact CG-CG 4.37Å; L429-M433 WeakPolarHBondContact O-CB 3.42Å; L429-M433 VanDerWaalsContact O-CG 3.28Å; L429-M433 WeakPolarHBondContact O-CG 3.49Å; L429-M433 PolarHBondContact O-N 3.26Å; L429-M433 VanDerWaalsContact O-N 3.1Å; L430-M433 PolarHBondContact O-N 3.2Å; S431-M433 VanDerWaalsContact C-N 3.26Å; S431-M433 PolarHBondContact O-N 3.34Å; M433-V441 HydrophobicContact CE-CB 3.65Å; M433-V441 HydrophobicContact CE-CG1 3.61Å; M433-L443 HydrophobicContact CE-CD1 3.88Å; M433-L443 HydrophobicContact CE-CD2 3.89Å; M433-L443 HydrophobicContact CE-CG 3.73Å; M433-L443 HydrophobicContact SD-CD1 4.43Å
434I77.4Confident78.5Confident39 Ų3967.6 Ų67.620%0.235%0.353CS..THydrogen-bonded Turntrans-114.3-24.5177-67170.8000111.7I387 A389 L430 S431 E436 Y461I387-I434 HydrophobicContact CG2-CD1 3.64Å; A389-I434 HydrophobicContact CB-CD1 3.85Å; L430-I434 HydrophobicContact CD1-CD1 3.53Å; L430-I434 HydrophobicContact CD1-CG1 4.26Å; L430-I434 HydrophobicContact CG-CD1 3.86Å; L430-I434 WeakPolarHBondContact O-CG1 3.44Å; L430-I434 PolarHBondContact O-N 2.73Å; S431-I434 PolarHBondContact O-N 3.11Å; I434-E436 PolarHBondContact O-N 3.28Å; I434-Y461 HydrophobicContact CD1-CD2 4.36Å
435D77.6Confident77.8Confident74 Ų7468.5 Ų68.540%0.39636%0.355SS..SBendtrans-68.2119.3170.5-170-18.5000110.3S431 K437 S438S431-D435 PolarHBondContact O-N 2.99Å; D435-K437 PolarHBondContact O-N 2.73Å; D435-K437 WeakPolarHBondContact OD1-CB 3.47Å; D435-K437 WeakPolarHBondContact OD1-CD 3.38Å; D435-K437 WeakPolarHBondContact OD1-CG 3.25Å; D435-K437 PolarHBondContact OD1-N 3.47Å; D435-S438 PolarHBondContact O-N 2.86Å; D435-S438 VanDerWaalsContact O-N 3.11Å; D435-S438 PolarHBondContact O-OG 3.46Å
436E64.6Low77.2Confident153 Ų15366.1 Ų66.172%0.71535%0.348SS*.G310 helixtrans-52.3-23.3178.2-63.1-176.2123.300113.2V394 I434 N439V394-E436 HydrophobicContact CG2-CG 4.38Å; I434-E436 PolarHBondContact O-N 3.28Å; E436-N439 PolarHBondContact O-ND2 3.07Å
437K61.3Low76.3Confident186 Ų18674.3 Ų74.381%0.80939%0.385SS*.G310 helixtrans-80.4-10-176-61.7164.7-167.4153.70114.5D435D435-K437 PolarHBondContact O-N 2.73Å; D435-K437 WeakPolarHBondContact OD1-CB 3.47Å; D435-K437 WeakPolarHBondContact OD1-CD 3.38Å; D435-K437 WeakPolarHBondContact OD1-CG 3.25Å; D435-K437 PolarHBondContact OD1-N 3.47Å
438S61.4Low76Confident28 Ų2875.9 Ų75.920%0.19640%0.397CS..G310 helixtrans-118.426.8-175.440.20000114.5L432 D435 D440L432-S438 WeakPolarHBondContact O-CB 3.46Å; L432-S438 PolarHBondContact O-OG 3.44Å; D435-S438 PolarHBondContact O-N 2.86Å; D435-S438 VanDerWaalsContact O-N 3.11Å; D435-S438 PolarHBondContact O-OG 3.46Å; S438-D440 PolarHBondContact O-N 2.66Å
439N58.2Low76Confident91 Ų9170.5 Ų70.549%0.48737%0.372SS..THydrogen-bonded Turntrans-62.19.2-179.3-92.2-61.4000117.2E436E436-N439 PolarHBondContact O-ND2 3.07Å
440D61.6Low76Confident162 Ų16272.4 Ų72.487%0.86638%0.383SS*.THydrogen-bonded Turntrans-117.118.7-170.1-154.631.9000113.8S438S438-D440 PolarHBondContact O-N 2.66Å
441V69.9Low76.3Confident52 Ų5273 Ų7332%0.31539%0.386SS..  trans-99.599.2-179.4-179.30000110.8N401 M433 L443N401-V441 PolarHBondContact ND2-O 2.86Å; M433-V441 HydrophobicContact CE-CB 3.65Å; M433-V441 HydrophobicContact CE-CG1 3.61Å; V441-L443 PolarHBondContact O-N 3.24Å
442D77.3Confident76.6Confident58 Ų5873.7 Ų73.731%0.3138%0.38SS..  trans-71.3119.8170.1170.134.3000111.4S444 T445 C446D442-S444 WeakPolarHBondContact OD1-CB 3.42Å; D442-S444 PolarHBondContact OD1-N 3.35Å; D442-S444 PolarHBondContact OD1-OG 3.41Å; D442-S444 PolarHBondContact OD2-OG 3.11Å; D442-T445 VanDerWaalsContact OD2-CB 3.3Å; D442-T445 WeakPolarHBondContact OD2-CB 3.39Å; D442-T445 VanDerWaalsContact OD2-CG2 3.22Å; D442-T445 WeakPolarHBondContact OD2-CG2 3.44Å; D442-T445 PolarHBondContact OD2-N 3.47Å; D442-T445 VanDerWaalsContact OD2-N 3.1Å; D442-T445 PolarHBondContact OD2-OG1 3Å; D442-C446 WeakPolarHBondContact O-CB 3.46Å; D442-C446 PolarHBondContact O-N 3.33Å
443L83.7Confident77Confident0 Ų070.5 Ų70.50%036%0.364CS..THydrogen-bonded Turntrans-81.9-15.6178.1-71.1171.1000113.1F398 N401 A402 A405 R409 L429 M433 V441 W449 I454F398-L443 HydrophobicContact CD2-CD1 4.39Å; F398-L443 HydrophobicContact CE2-CD1 4.09Å; N401-L443 WeakPolarHBondContact OD1-CB 3.45Å; N401-L443 PolarHBondContact OD1-N 2.94Å; A402-L443 HydrophobicContact CB-CD1 4.34Å; A405-L443 VanDerWaalsContact CB-C 3.42Å; A405-L443 HydrophobicContact CB-CB 3.62Å; A405-L443 VanDerWaalsContact CB-O 3.32Å; A405-L443 WeakPolarHBondContact CB-O 3.49Å; R409-L443 PolarHBondContact NE-O 3.05Å; R409-L443 PolarHBondContact NH2-O 2.85Å; L429-L443 HydrophobicContact CD1-CD2 3.95Å; L429-L443 HydrophobicContact CD2-CD2 4.27Å; M433-L443 HydrophobicContact CE-CD1 3.88Å; M433-L443 HydrophobicContact CE-CD2 3.89Å; M433-L443 HydrophobicContact CE-CG 3.73Å; M433-L443 HydrophobicContact SD-CD1 4.43Å; V441-L443 PolarHBondContact O-N 3.24Å; L443-W449 HydrophobicContact CD2-CB 4.22Å; L443-W449 HydrophobicContact CD2-CG 4.08Å; L443-I454 HydrophobicContact CB-CD1 4.15Å; L443-I454 HydrophobicContact CD1-CG2 4.39Å; L443-I454 HydrophobicContact CD2-CD1 4.19Å; L443-I454 HydrophobicContact CD2-CG1 4.32Å
444S75.1Confident77.6Confident26 Ų2669.8 Ų69.818%0.18236%0.36CS..THydrogen-bonded Turntrans-72.9-38.7179.371.50000111.9R409 D442R409-S444 WeakPolarHBondContact CD-O 3.31Å; R409-S444 PolarHBondContact NE-O 2.88Å; D442-S444 WeakPolarHBondContact OD1-CB 3.42Å; D442-S444 PolarHBondContact OD1-N 3.35Å; D442-S444 PolarHBondContact OD1-OG 3.41Å; D442-S444 PolarHBondContact OD2-OG 3.11Å
445T74.1Confident78.5Confident108 Ų10868 Ų6866%0.66335%0.351SS*.THydrogen-bonded Turntrans-93.5-19.1176.756.90000115.5D442 E447D442-T445 VanDerWaalsContact OD2-CB 3.3Å; D442-T445 WeakPolarHBondContact OD2-CB 3.39Å; D442-T445 VanDerWaalsContact OD2-CG2 3.22Å; D442-T445 WeakPolarHBondContact OD2-CG2 3.44Å; D442-T445 PolarHBondContact OD2-N 3.47Å; D442-T445 VanDerWaalsContact OD2-N 3.1Å; D442-T445 PolarHBondContact OD2-OG1 3Å; T445-E447 PolarHBondContact O-N 3.14Å
446C78.4Confident79.3Confident29 Ų2965 Ų6520%0.19634%0.335CS..  trans-79.1108.5-175.3-1750000114R409 D442 D448 W449R409-C446 PolarHBondContact NH2-O 2.9Å; D442-C446 WeakPolarHBondContact O-CB 3.46Å; D442-C446 PolarHBondContact O-N 3.33Å; C446-D448 PolarHBondContact O-N 3.24Å; C446-W449 VanDerWaalsContact SG-CD1 3.51Å
447E72.1Confident80.7Confident181 Ų18157.7 Ų57.785%0.84630%0.301SS*.THydrogen-bonded Turntrans-72.1-23.1-179.8-63-167.4154.800114.9T445 W449T445-E447 PolarHBondContact O-N 3.14Å; E447-W449 PolarHBondContact O-N 2.81Å
448D81.1Confident82.3Confident120 Ų12048.8 Ų48.864%0.64226%0.263SS*.THydrogen-bonded Turntrans-56.4-26.2179-81.7-45.8000113.1K425 C446K425-D448 PolarHBondContact NZ-O 2.74Å; C446-D448 PolarHBondContact O-N 3.24Å
449W88.4Confident83.9Confident19 Ų1948.6 Ų48.67%0.07226%0.258CS..SBendtrans-106.6111.1-179.8-53.2114000110.2R409 K425 K428 L429 L432 L443 C446 E447 T453 I454R409-W449 PolarHBondContact NH1-O 3.43Å; R409-W449 PolarHBondContact NH2-O 2.66Å; K425-W449 HydrophobicContact CB-CE3 4.42Å; K425-W449 HydrophobicContact CB-CZ3 3.92Å; K425-W449 HydrophobicContact CD-CE3 4.36Å; K425-W449 HydrophobicContact CD-CZ3 4.34Å; K425-W449 HydrophobicContact CG-CZ3 4.16Å; K425-W449 WeakPolarHBondContact O-CZ3 3.48Å; K428-W449 HydrophobicContact CB-CH2 4.19Å; K428-W449 HydrophobicContact CD-CH2 3.96Å; K428-W449 HydrophobicContact CG-CH2 4Å; L429-W449 HydrophobicContact CB-CD2 4.31Å; L429-W449 HydrophobicContact CB-CE3 4.01Å; L429-W449 HydrophobicContact CB-CH2 3.9Å; L429-W449 HydrophobicContact CB-CZ2 4.25Å; L429-W449 HydrophobicContact CB-CZ3 3.79Å; L429-W449 HydrophobicContact CD1-CD2 4Å; L429-W449 HydrophobicContact CD1-CG 4.27Å; L429-W449 HydrophobicContact CD1-CZ2 4.09Å; L429-W449 HydrophobicContact CD2-CB 4.41Å; L429-W449 HydrophobicContact CD2-CD2 4.08Å; L429-W449 HydrophobicContact CD2-CE3 4.18Å; L429-W449 HydrophobicContact CD2-CG 4.18Å; L429-W449 HydrophobicContact CG-CD2 4.35Å; L429-W449 HydrophobicContact CG-CE3 4.46Å; L432-W449 HydrophobicContact CD1-CH2 4.37Å; L432-W449 HydrophobicContact CD1-CZ2 3.87Å; L443-W449 HydrophobicContact CD2-CB 4.22Å; L443-W449 HydrophobicContact CD2-CG 4.08Å; C446-W449 VanDerWaalsContact SG-CD1 3.51Å; E447-W449 PolarHBondContact O-N 2.81Å; W449-T453 HydrophobicContact CE3-CG2 3.98Å; W449-T453 HydrophobicContact CZ3-CG2 4.43Å; W449-I454 HydrophobicContact CB-CD1 4.18Å; W449-I454 HydrophobicContact CB-CG1 4.08Å
450D90.8Very high85.5Confident41 Ų4145.3 Ų45.322%0.21924%0.241CC..  trans-76.3156.2172.561.728.3000111.7K452 T453 I454D450-K452 HydrophobicContact CB-CG 4.41Å; D450-K452 PolarHBondContact O-N 3.3Å; D450-K452 WeakPolarHBondContact OD1-CG 3.41Å; D450-K452 WeakPolarHBondContact OD2-CE 3.21Å; D450-K452 IonicContact OD2-NZ 2.7Å; D450-K452 PolarHBondContact OD2-NZ 2.79Å; D450-T453 WeakPolarHBondContact O-CA 3.1Å; D450-T453 WeakPolarHBondContact O-CB 3.08Å; D450-T453 PolarHBondContact O-N 3.39Å; D450-T453 WeakPolarHBondContact OD1-CB 3.34Å; D450-T453 PolarHBondContact OD1-N 3.4Å; D450-T453 PolarHBondContact OD1-OG1 2.94Å; D450-I454 PolarHBondContact O-N 3.25Å
451V93.4Very high87Confident11 Ų1137.6 Ų37.67%0.06720%0.2CC..Hα-helixtrans-60.2-35.5-175.1-178.10000111.5I406 D413 L416 T453 I454 T455I406-V451 HydrophobicContact CG1-CG1 4.36Å; D413-V451 VanDerWaalsContact OD2-CB 3.28Å; D413-V451 WeakPolarHBondContact OD2-CB 3.27Å; D413-V451 WeakPolarHBondContact OD2-CG2 3.09Å; L416-V451 HydrophobicContact CD2-CG1 3.49Å; L416-V451 VanDerWaalsContact CD2-CG1 3.49Å; V451-T453 VanDerWaalsContact C-N 3.33Å; V451-T453 PolarHBondContact O-N 3.08Å; V451-I454 PolarHBondContact O-N 3.36Å; V451-T455 HydrophobicContact CG1-CG2 4.21Å; V451-T455 WeakPolarHBondContact O-CB 3.43Å; V451-T455 WeakPolarHBondContact O-CG2 3.48Å; V451-T455 PolarHBondContact O-N 3.09Å; V451-T455 PolarHBondContact O-OG1 3.3Å
452K93.8Very high88.1Confident87 Ų8735.2 Ų35.238%0.37819%0.185SC..Hα-helixtrans-64.2-32.4173.662.1-178.7-178.6-62.80113.3V419 G421 D450 T455 S456V419-K452 HydrophobicContact CG1-CB 4.19Å; V419-K452 HydrophobicContact CG1-CD 4.14Å; G421-K452 WeakPolarHBondContact CA-O 3.5Å; G421-K452 PolarHBondContact N-O 3.28Å; D450-K452 HydrophobicContact CB-CG 4.41Å; D450-K452 PolarHBondContact O-N 3.3Å; D450-K452 WeakPolarHBondContact OD1-CG 3.41Å; D450-K452 WeakPolarHBondContact OD2-CE 3.21Å; D450-K452 IonicContact OD2-NZ 2.7Å; D450-K452 PolarHBondContact OD2-NZ 2.79Å; K452-T455 WeakPolarHBondContact CA-OG1 3.18Å; K452-T455 PolarHBondContact O-OG1 2.88Å; K452-S456 WeakPolarHBondContact O-CB 3.47Å; K452-S456 PolarHBondContact O-N 3.04Å; K452-S456 PolarHBondContact O-OG 3.5Å
453T94.1Very high88.7Confident0 Ų037 Ų370%019%0.187CC..Hα-helixtrans-71-47.6170-60.10000111.2K425 V426 L429 W449 D450 V451 S456 T457K425-T453 HydrophobicContact CB-CG2 3.83Å; V426-T453 HydrophobicContact CG2-CG2 3.91Å; L429-T453 HydrophobicContact CD2-CG2 4.13Å; W449-T453 HydrophobicContact CE3-CG2 3.98Å; W449-T453 HydrophobicContact CZ3-CG2 4.43Å; D450-T453 WeakPolarHBondContact O-CA 3.1Å; D450-T453 WeakPolarHBondContact O-CB 3.08Å; D450-T453 PolarHBondContact O-N 3.39Å; D450-T453 WeakPolarHBondContact OD1-CB 3.34Å; D450-T453 PolarHBondContact OD1-N 3.4Å; D450-T453 PolarHBondContact OD1-OG1 2.94Å; V451-T453 VanDerWaalsContact C-N 3.33Å; V451-T453 PolarHBondContact O-N 3.08Å; T453-S456 PolarHBondContact O-N 3.19Å; T453-T457 WeakPolarHBondContact O-CB 3.32Å; T453-T457 PolarHBondContact O-N 3.02Å; T453-T457 PolarHBondContact O-OG1 3.39Å
454I94.8Very high88.9Confident1 Ų137.9 Ų37.91%0.00519%0.194CC..Hα-helixtrans-61.8-51.5-178.3-62.3170.2000110.9A402 A405 I406 L429 L443 W449 D450 V451 S456 T457 L458A402-I454 HydrophobicContact CB-CG2 3.79Å; A405-I454 HydrophobicContact CB-CD1 4.1Å; I406-I454 HydrophobicContact CD1-CG2 4Å; I406-I454 HydrophobicContact CG1-CG2 4Å; L429-I454 HydrophobicContact CD2-CG1 4.14Å; L443-I454 HydrophobicContact CB-CD1 4.15Å; L443-I454 HydrophobicContact CD1-CG2 4.39Å; L443-I454 HydrophobicContact CD2-CD1 4.19Å; L443-I454 HydrophobicContact CD2-CG1 4.32Å; W449-I454 HydrophobicContact CB-CD1 4.18Å; W449-I454 HydrophobicContact CB-CG1 4.08Å; D450-I454 PolarHBondContact O-N 3.25Å; V451-I454 PolarHBondContact O-N 3.36Å; I454-S456 VanDerWaalsContact C-N 3.27Å; I454-S456 PolarHBondContact O-N 3.16Å; I454-T457 PolarHBondContact O-N 3.21Å; I454-T457 VanDerWaalsContact O-N 3.08Å; I454-L458 PolarHBondContact O-N 2.92Å
455T96.2Very high89.5Confident1 Ų137.2 Ų37.21%0.00619%0.188CC..Hα-helixtrans-57.1-38.117551.40000112.7I406 L416 Y417 V451 K452 K459I406-T455 HydrophobicContact CD1-CG2 3.56Å; I406-T455 HydrophobicContact CG1-CG2 3.97Å; I406-T455 HydrophobicContact CG2-CG2 4.43Å; L416-T455 HydrophobicContact CD2-CG2 3.76Å; Y417-T455 VanDerWaalsContact CD1-CB 3.46Å; Y417-T455 HydrophobicContact CD1-CG2 3.84Å; Y417-T455 WeakPolarHBondContact CD1-O 3.37Å; Y417-T455 HydrophobicContact CD2-CG2 4.21Å; Y417-T455 HydrophobicContact CE1-CG2 3.8Å; Y417-T455 HydrophobicContact CE2-CG2 4.18Å; Y417-T455 HydrophobicContact CG-CG2 4.06Å; V451-T455 HydrophobicContact CG1-CG2 4.21Å; V451-T455 WeakPolarHBondContact O-CB 3.43Å; V451-T455 WeakPolarHBondContact O-CG2 3.48Å; V451-T455 PolarHBondContact O-N 3.09Å; V451-T455 PolarHBondContact O-OG1 3.3Å; K452-T455 WeakPolarHBondContact CA-OG1 3.18Å; K452-T455 PolarHBondContact O-OG1 2.88Å; T455-K459 WeakPolarHBondContact O-CE 3.42Å; T455-K459 WeakPolarHBondContact O-CG 3.39Å; T455-K459 PolarHBondContact O-N 3.34Å
456S94.6Very high90.1Very high10 Ų1037 Ų377%0.0719%0.189CC..Hα-helixtrans-72.4-32.3176.3-63.40000113.3G421 K452 T453 I454 L460G421-S456 PolarHBondContact N-OG 3.35Å; K452-S456 WeakPolarHBondContact O-CB 3.47Å; K452-S456 PolarHBondContact O-N 3.04Å; K452-S456 PolarHBondContact O-OG 3.5Å; T453-S456 PolarHBondContact O-N 3.19Å; I454-S456 VanDerWaalsContact C-N 3.27Å; I454-S456 PolarHBondContact O-N 3.16Å; S456-L460 WeakPolarHBondContact O-CB 3.27Å; S456-L460 PolarHBondContact O-N 3.17Å
457T94.4Very high90.4Very high0 Ų039.2 Ų39.20%020%0.196CC..Hα-helixtrans-72.9-42.6177.4-51.90000111.1F398 L429 L430 T453 I454 K459 L460 Y461F398-T457 HydrophobicContact CE2-CG2 4.39Å; F398-T457 HydrophobicContact CZ-CG2 3.76Å; L429-T457 HydrophobicContact CB-CG2 4.18Å; L429-T457 HydrophobicContact CD2-CG2 4.25Å; L429-T457 HydrophobicContact CG-CG2 4Å; L430-T457 HydrophobicContact CB-CG2 3.8Å; L430-T457 HydrophobicContact CD1-CG2 4.05Å; L430-T457 HydrophobicContact CG-CG2 4.44Å; T453-T457 WeakPolarHBondContact O-CB 3.32Å; T453-T457 PolarHBondContact O-N 3.02Å; T453-T457 PolarHBondContact O-OG1 3.39Å; I454-T457 PolarHBondContact O-N 3.21Å; I454-T457 VanDerWaalsContact O-N 3.08Å; T457-K459 PolarHBondContact O-N 3.19Å; T457-L460 PolarHBondContact O-N 3.35Å; T457-L460 VanDerWaalsContact O-N 3.1Å; T457-Y461 WeakPolarHBondContact O-CB 3.49Å; T457-Y461 PolarHBondContact O-N 3.31Å
458L95.3Very high91.3Very high0 Ų030.6 Ų30.60%016%0.156CC..Hα-helixtrans-61.7-42.5174.5179.154.5000111.9F398 V399 A402 I403 Y417 I454 L460 Y461 L462 L512F398-L458 HydrophobicContact CE1-CD1 4.3Å; F398-L458 HydrophobicContact CZ-CB 4.49Å; V399-L458 HydrophobicContact CB-CD1 4.44Å; V399-L458 HydrophobicContact CG1-CD1 4.48Å; V399-L458 HydrophobicContact CG2-CD1 3.87Å; A402-L458 HydrophobicContact CB-CB 4.47Å; A402-L458 HydrophobicContact CB-CD2 4.22Å; I403-L458 HydrophobicContact CG1-CD2 4.24Å; Y417-L458 HydrophobicContact CE1-CD2 4.18Å; Y417-L458 WeakPolarHBondContact OH-CD2 3.43Å; I454-L458 PolarHBondContact O-N 2.92Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L458-L460 PolarHBondContact O-N 3.16Å; L458-Y461 HydrophobicContact CD1-CD1 4.4Å; L458-L462 HydrophobicContact CD1-CD1 4.26Å; L458-L462 HydrophobicContact CD1-CG 4.4Å; L458-L462 HydrophobicContact CG-CD1 4.42Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 2.87Å; L458-L462 VanDerWaalsContact O-N 3.17Å; L458-L512 HydrophobicContact CD2-CD1 4.47Å
459K94.6Very high91.9Very high24 Ų2424.9 Ų24.910%0.10413%0.125CC..Hα-helixtrans-59.4-43170.1-74.1178.8-61.1176.20112.3Y417 T455 T457 R463 V536 F537Y417-K459 HydrophobicContact CD1-CD 4.2Å; Y417-K459 HydrophobicContact CD1-CG 4Å; Y417-K459 WeakPolarHBondContact O-CE 3.46Å; Y417-K459 PolarHBondContact O-NZ 2.97Å; T455-K459 WeakPolarHBondContact O-CE 3.42Å; T455-K459 WeakPolarHBondContact O-CG 3.39Å; T455-K459 PolarHBondContact O-N 3.34Å; T457-K459 PolarHBondContact O-N 3.19Å; K459-R463 VanDerWaalsContact O-CB 3.25Å; K459-R463 WeakPolarHBondContact O-CB 3.27Å; K459-R463 PolarHBondContact O-N 3.26Å; K459-R463 VanDerWaalsContact O-N 3.08Å; K459-V536 HydrophobicContact CD-CG1 3.74Å; K459-F537 HydrophobicContact CG-CE1 4.46Å; K459-F537 HydrophobicContact CG-CZ 4.25Å
460L91.5Very high92.2Very high22 Ų2224 Ų2412%0.11512%0.122CC..Hα-helixtrans-69-40.7-177.7-176.762000111.7V426 L430 S456 T457 L458 R463 S464V426-L460 HydrophobicContact CG1-CB 4.37Å; V426-L460 HydrophobicContact CG1-CD2 3.77Å; L430-L460 HydrophobicContact CD2-CB 4.1Å; L430-L460 HydrophobicContact CD2-CD2 3.55Å; L430-L460 HydrophobicContact CD2-CG 3.53Å; S456-L460 WeakPolarHBondContact O-CB 3.27Å; S456-L460 PolarHBondContact O-N 3.17Å; T457-L460 PolarHBondContact O-N 3.35Å; T457-L460 VanDerWaalsContact O-N 3.1Å; L458-L460 VanDerWaalsContact C-N 3.35Å; L458-L460 PolarHBondContact O-N 3.16Å; L460-R463 CarbonylContact O-C 3.58Å; L460-R463 PolarHBondContact O-N 3.12Å; L460-S464 VanDerWaalsContact O-CB 3.32Å; L460-S464 WeakPolarHBondContact O-CB 3.15Å; L460-S464 PolarHBondContact O-N 3.25Å; L460-S464 PolarHBondContact O-OG 3.18Å
461Y93.6Very high92.2Very high0 Ų022.7 Ų22.70%012%0.115CC..Hα-helixtrans-54.6-58172.4166.2-106.2000111.1A389 Q390 G395 F398 V399 L430 I434 T457 L458 R463 S464 L465A389-Y461 HydrophobicContact CB-CD2 3.99Å; A389-Y461 HydrophobicContact CB-CE2 4.23Å; Q390-Y461 PolarHBondContact O-OH 3.15Å; G395-Y461 VanDerWaalsContact CA-OH 3.29Å; G395-Y461 WeakPolarHBondContact CA-OH 3.47Å; F398-Y461 HydrophobicContact CD1-CD1 4.15Å; F398-Y461 HydrophobicContact CD1-CD2 4.31Å; F398-Y461 AromaticContact CD1-CG 3.97Å; F398-Y461 HydrophobicContact CD1-CG 3.97Å; F398-Y461 HydrophobicContact CE1-CD1 4.22Å; F398-Y461 AromaticContact CE1-CG 3.93Å; F398-Y461 HydrophobicContact CE1-CG 3.93Å; V399-Y461 HydrophobicContact CG2-CD1 3.94Å; V399-Y461 HydrophobicContact CG2-CE1 3.46Å; V399-Y461 VanDerWaalsContact CG2-CE1 3.46Å; L430-Y461 HydrophobicContact CD1-CD2 4.42Å; I434-Y461 HydrophobicContact CD1-CD2 4.36Å; T457-Y461 WeakPolarHBondContact O-CB 3.49Å; T457-Y461 PolarHBondContact O-N 3.31Å; L458-Y461 HydrophobicContact CD1-CD1 4.4Å; Y461-R463 PolarHBondContact O-N 3.46Å; Y461-R463 VanDerWaalsContact O-N 3.12Å; Y461-S464 PolarHBondContact O-N 3.47Å; Y461-L465 HydrophobicContact CE2-CD2 4.16Å; Y461-L465 PolarHBondContact O-N 2.81Å
462L93.3Very high91.9Very high2 Ų225.6 Ų25.61%0.0113%0.126CC..Hα-helixtrans-57.6-31.1179.4-66.9169.5000113L458 L465 L469 V508 L512 F537 T540 L541 R543L458-L462 HydrophobicContact CD1-CD1 4.26Å; L458-L462 HydrophobicContact CD1-CG 4.4Å; L458-L462 HydrophobicContact CG-CD1 4.42Å; L458-L462 WeakPolarHBondContact O-CG 3.34Å; L458-L462 PolarHBondContact O-N 2.87Å; L458-L462 VanDerWaalsContact O-N 3.17Å; L462-L465 HydrophobicContact CD2-CD1 4.46Å; L462-L469 HydrophobicContact CD2-CD2 4.22Å; L462-V508 HydrophobicContact CD2-CG1 4.34Å; L462-L512 HydrophobicContact CD1-CD1 4.41Å; L462-L512 HydrophobicContact CD1-CD2 3.67Å; L462-F537 HydrophobicContact CD1-CE1 4.15Å; L462-T540 HydrophobicContact CB-CG2 3.95Å; L462-L541 HydrophobicContact CD1-CD2 4.29Å; L462-R543 PolarHBondContact O-NH1 3.11Å; L462-R543 PolarHBondContact O-NH2 3.46Å
463R89.8Confident91.7Very high94 Ų9424.7 Ų24.736%0.35514%0.141SC..Hα-helixtrans-80.6-20.9176.8-163.4173.2-61.2172.20.5114.1K459 L460 Y461 T540K459-R463 VanDerWaalsContact O-CB 3.25Å; K459-R463 WeakPolarHBondContact O-CB 3.27Å; K459-R463 PolarHBondContact O-N 3.26Å; K459-R463 VanDerWaalsContact O-N 3.08Å; L460-R463 CarbonylContact O-C 3.58Å; L460-R463 PolarHBondContact O-N 3.12Å; Y461-R463 PolarHBondContact O-N 3.46Å; Y461-R463 VanDerWaalsContact O-N 3.12Å; R463-T540 PolarHBondContact NH2-OG1 3.27Å
464S88.2Confident91.6Very high20 Ų2025.9 Ų25.914%0.1415%0.147CC..Hα-helixtrans-95.2-9-177.4-53.80000113.5L460 Y461L460-S464 VanDerWaalsContact O-CB 3.32Å; L460-S464 WeakPolarHBondContact O-CB 3.15Å; L460-S464 PolarHBondContact O-N 3.25Å; L460-S464 PolarHBondContact O-OG 3.18Å; Y461-S464 PolarHBondContact O-N 3.47Å
465L87.6Confident91.4Very high12 Ų1226.8 Ų26.86%0.06315%0.151CC..SBendtrans-53.7142.2170.4-64.1173.6000111.3L391 Y461 L462 E467 R543L391-L465 HydrophobicContact CB-CD2 4.39Å; L391-L465 HydrophobicContact CD1-CD1 4.13Å; L391-L465 HydrophobicContact CD1-CD2 4.3Å; Y461-L465 HydrophobicContact CE2-CD2 4.16Å; Y461-L465 PolarHBondContact O-N 2.81Å; L462-L465 HydrophobicContact CD2-CD1 4.46Å; L465-E467 VanDerWaalsContact CB-O 3.26Å; L465-E467 WeakPolarHBondContact CB-O 3.37Å; L465-E467 PolarHBondContact O-N 3.02Å; L465-E467 VanDerWaalsContact O-N 3.13Å; L465-R543 PolarHBondContact O-NH2 2.78Å
466P85.3Confident91.1Very high104 Ų10433.8 Ų33.868%0.67518%0.181SC*.SBendtrans-54.6-32177.8-29.134.1000114.4A389A389-P466 VanDerWaalsContact O-CD 3.24Å; A389-P466 WeakPolarHBondContact O-CD 3.44Å
467E85.6Confident91.1Very high74 Ų7436.8 Ų36.835%0.34620%0.196SC..SBendtrans-124.7147.2173.9-162.9176.2-16500109.8L465 T471 Y472 R543L465-E467 VanDerWaalsContact CB-O 3.26Å; L465-E467 WeakPolarHBondContact CB-O 3.37Å; L465-E467 PolarHBondContact O-N 3.02Å; L465-E467 VanDerWaalsContact O-N 3.13Å; E467-T471 VanDerWaalsContact OE1-CA 3.28Å; E467-T471 WeakPolarHBondContact OE1-CA 3.36Å; E467-T471 VanDerWaalsContact OE1-CB 3.26Å; E467-T471 WeakPolarHBondContact OE1-CB 3.31Å; E467-Y472 HydrophobicContact CG-CD2 3.68Å; E467-Y472 HydrophobicContact CG-CE2 4Å; E467-Y472 HydrophobicContact CG-CG 4.32Å; E467-Y472 PolarHBondContact OE1-N 3Å; E467-R543 VanDerWaalsContact C-NH2 3.29Å; E467-R543 PolarHBondContact O-NH2 3.38Å; E467-R543 VanDerWaalsContact O-NH2 3.09Å
468P91.3Very high91.1Very high0 Ų036.8 Ų36.80%020%0.196CC..  trans-53.2147164.320.2-33000112.1M470 T471 Y472 L541 R543P468-M470 PolarHBondContact O-N 3.49Å; P468-M470 VanDerWaalsContact O-N 3.09Å; P468-T471 WeakPolarHBondContact O-CA 3.31Å; P468-T471 PolarHBondContact O-N 2.86Å; P468-Y472 VanDerWaalsContact CD-CE1 3.43Å; P468-Y472 HydrophobicContact CG-CD1 3.68Å; P468-Y472 HydrophobicContact CG-CD2 4.48Å; P468-Y472 HydrophobicContact CG-CE1 3.65Å; P468-Y472 HydrophobicContact CG-CE2 4.45Å; P468-Y472 HydrophobicContact CG-CG 4.11Å; P468-L541 VanDerWaalsContact CB-O 3.28Å; P468-L541 WeakPolarHBondContact CB-O 3.44Å; P468-R543 HydrophobicContact CB-CB 4.08Å; P468-R543 HydrophobicContact CB-CG 4.48Å; P468-R543 HydrophobicContact CG-CB 4.25Å
469L93.2Very high90.9Very high1 Ų137 Ų371%0.00520%0.197CC..THydrogen-bonded Turntrans-58.8-29.4-177-170.863.6000112.3L391 L462 N505 V508 L509 L541L391-L469 HydrophobicContact CD1-CD1 4.09Å; L391-L469 HydrophobicContact CD2-CD1 4.12Å; L462-L469 HydrophobicContact CD2-CD2 4.22Å; L469-N505 HydrophobicContact CD1-CB 4.15Å; L469-N505 WeakPolarHBondContact O-CB 3.43Å; L469-N505 PolarHBondContact O-ND2 2.86Å; L469-V508 HydrophobicContact CD1-CB 4.17Å; L469-V508 HydrophobicContact CD1-CG1 4.1Å; L469-V508 HydrophobicContact CD2-CB 4.5Å; L469-V508 HydrophobicContact CD2-CG1 3.98Å; L469-L509 HydrophobicContact CD2-CB 3.85Å; L469-L509 HydrophobicContact CD2-CD1 3.98Å; L469-L509 HydrophobicContact CG-CB 4.29Å; L469-L541 HydrophobicContact CB-CD2 4.16Å; L469-L541 HydrophobicContact CD2-CD2 3.97Å; L469-L541 PolarHBondContact N-O 3.03Å
470M94.1Very high90.8Very high1 Ų139 Ų391%0.00522%0.218CC..THydrogen-bonded Turntrans-90.68.2176.9-63.2-177.360.200114.6P468 F478 L509 L541 M542 V561 L565P468-M470 PolarHBondContact O-N 3.49Å; P468-M470 VanDerWaalsContact O-N 3.09Å; M470-F478 HydrophobicContact CB-CD2 4.46Å; M470-F478 HydrophobicContact CB-CE2 4.26Å; M470-F478 HydrophobicContact CE-CB 4.38Å; M470-F478 HydrophobicContact CE-CD1 3.59Å; M470-F478 HydrophobicContact CE-CD2 3.69Å; M470-F478 HydrophobicContact CE-CE1 3.61Å; M470-F478 HydrophobicContact CE-CE2 3.72Å; M470-F478 HydrophobicContact CE-CG 3.64Å; M470-F478 HydrophobicContact CE-CZ 3.69Å; M470-L509 HydrophobicContact CG-CD1 4.44Å; M470-L509 HydrophobicContact CG-CD2 4.21Å; M470-L541 HydrophobicContact CG-CB 4.39Å; M470-L541 PolarHBondContact N-O 3.25Å; M470-L541 HydrophobicContact SD-CB 4.15Å; M470-M542 HydrophobicContact CB-CG 4.1Å; M470-M542 HydrophobicContact CE-CG 4.03Å; M470-M542 HydrophobicContact CE-SD 3.86Å; M470-M542 HydrophobicContact CG-CG 4.27Å; M470-M542 HydrophobicContact SD-CG 3.46Å; M470-M542 WeakPolarHBondContact SD-CG 3.36Å; M470-M542 HydrophobicContact SD-SD 3.94Å; M470-V561 HydrophobicContact CE-CG1 3.76Å; M470-L565 HydrophobicContact CE-CD1 3.75Å; M470-L565 HydrophobicContact SD-CD1 3.9Å
471T91.9Very high90.9Very high12 Ų1239 Ų397%0.07422%0.22CC..  trans65.4149.5-177.573.20000115.7E467 P468 G473 L474 L501 P502E467-T471 VanDerWaalsContact OE1-CA 3.28Å; E467-T471 WeakPolarHBondContact OE1-CA 3.36Å; E467-T471 VanDerWaalsContact OE1-CB 3.26Å; E467-T471 WeakPolarHBondContact OE1-CB 3.31Å; P468-T471 WeakPolarHBondContact O-CA 3.31Å; P468-T471 PolarHBondContact O-N 2.86Å; T471-G473 VanDerWaalsContact C-N 3.35Å; T471-L474 WeakPolarHBondContact OG1-CB 3.41Å; T471-L474 PolarHBondContact OG1-N 2.82Å; T471-L474 VanDerWaalsContact OG1-N 3.13Å; T471-L501 HydrophobicContact CG2-CD2 4.02Å; T471-P502 HydrophobicContact CG2-CG 4.37Å
472Y87.9Confident90.7Very high73 Ų7339 Ų3929%0.28622%0.22SC..SBendtrans-70.3-36.4167.5-65-58.8000110.5E467 P468 L474 Y475 R543 Q545E467-Y472 HydrophobicContact CG-CD2 3.68Å; E467-Y472 HydrophobicContact CG-CE2 4Å; E467-Y472 HydrophobicContact CG-CG 4.32Å; E467-Y472 PolarHBondContact OE1-N 3Å; P468-Y472 VanDerWaalsContact CD-CE1 3.43Å; P468-Y472 HydrophobicContact CG-CD1 3.68Å; P468-Y472 HydrophobicContact CG-CD2 4.48Å; P468-Y472 HydrophobicContact CG-CE1 3.65Å; P468-Y472 HydrophobicContact CG-CE2 4.45Å; P468-Y472 HydrophobicContact CG-CG 4.11Å; Y472-L474 PolarHBondContact O-N 3.06Å; Y472-Y475 VanDerWaalsContact O-CB 3.3Å; Y472-Y475 WeakPolarHBondContact O-CB 3.11Å; Y472-Y475 PolarHBondContact O-N 2.83Å; Y472-Y475 VanDerWaalsContact O-N 3.17Å; Y472-R543 HydrophobicContact CE1-CB 4.48Å; Y472-R543 WeakPolarHBondContact CE1-O 3.37Å; Y472-Q545 HydrophobicContact CD1-CB 3.78Å; Y472-Q545 HydrophobicContact CD1-CG 4.29Å; Y472-Q545 HydrophobicContact CE1-CB 4.13Å; Y472-Q545 HydrophobicContact CG-CB 4.3Å; Y472-Q545 HydrophobicContact CG-CG 4.43Å
473G88Confident90.5Very high68 Ų6841 Ų4170%0.70123%0.228SC*.THydrogen-bonded Turntrans-60.3-39.8-177.800000114.1T471T471-G473 VanDerWaalsContact C-N 3.35Å
474L92.1Very high90.2Very high25 Ų2538.1 Ų38.113%0.13123%0.227CC..THydrogen-bonded Turntrans-92.70.8177.3-61.1175.2000113.9T471 Y472 K476 D477 F478 K500 L501T471-L474 WeakPolarHBondContact OG1-CB 3.41Å; T471-L474 PolarHBondContact OG1-N 2.82Å; T471-L474 VanDerWaalsContact OG1-N 3.13Å; Y472-L474 PolarHBondContact O-N 3.06Å; L474-K476 PolarHBondContact O-N 3.09Å; L474-D477 HydrophobicContact CD2-CB 4.46Å; L474-D477 WeakPolarHBondContact O-CB 3.43Å; L474-D477 PolarHBondContact O-N 3.3Å; L474-D477 VanDerWaalsContact O-N 3.16Å; L474-F478 HydrophobicContact CB-CD2 3.77Å; L474-F478 HydrophobicContact CB-CE2 3.7Å; L474-F478 HydrophobicContact CD1-CE2 4.11Å; L474-F478 VanDerWaalsContact O-CD2 3.27Å; L474-F478 WeakPolarHBondContact O-CD2 3.44Å; L474-F478 PolarHBondContact O-N 3.3Å; L474-K500 HydrophobicContact CD1-CB 3.92Å; L474-K500 HydrophobicContact CD2-CB 4.49Å; L474-K500 HydrophobicContact CD2-CD 4Å; L474-L501 HydrophobicContact CD1-CD2 3.91Å; L474-L501 HydrophobicContact CD1-CG 4.29Å
475Y91Very high89.8Confident20 Ų2040 Ų408%0.07825%0.25CS..Hα-helixtrans-54.2-52.1-175.7176.2-90.6000112.3Y472 D477 F478 I479 M542 P544 Q558Y472-Y475 VanDerWaalsContact O-CB 3.3Å; Y472-Y475 WeakPolarHBondContact O-CB 3.11Å; Y472-Y475 PolarHBondContact O-N 2.83Å; Y472-Y475 VanDerWaalsContact O-N 3.17Å; Y475-D477 VanDerWaalsContact C-N 3.34Å; Y475-D477 PolarHBondContact O-N 3.46Å; Y475-F478 PolarHBondContact O-N 2.85Å; Y475-I479 HydrophobicContact CD1-CG1 4.33Å; Y475-I479 HydrophobicContact CE1-CG1 3.92Å; Y475-I479 HydrophobicContact CE2-CG1 4.3Å; Y475-I479 VanDerWaalsContact O-CG1 3.31Å; Y475-I479 WeakPolarHBondContact O-CG1 3.35Å; Y475-I479 PolarHBondContact O-N 3.26Å; Y475-I479 VanDerWaalsContact O-N 3.09Å; Y475-M542 HydrophobicContact CD2-CB 4.23Å; Y475-M542 HydrophobicContact CD2-CE 4.2Å; Y475-M542 HydrophobicContact CE2-CB 4.18Å; Y475-M542 HydrophobicContact CE2-CE 4.38Å; Y475-M542 WeakPolarHBondContact CE2-O 3.4Å; Y475-P544 HydrophobicContact CE2-CB 4.4Å; Y475-Q558 HydrophobicContact CE2-CG 4.18Å; Y475-Q558 PolarHBondContact OH-NE2 3.17Å
476K90.6Very high89.8Confident148 Ų14841.9 Ų41.964%0.64326%0.264SS*.Hα-helixtrans-67.4-34.9-179.2-65.3-177.7179.2175.20111.8L474 I479 A480 E546L474-K476 PolarHBondContact O-N 3.09Å; K476-I479 PolarHBondContact O-N 2.8Å; K476-A480 PolarHBondContact O-N 2.95Å; K476-A480 VanDerWaalsContact O-N 3.09Å; K476-E546 IonicContact NZ-OE1 2.72Å
477D93.1Very high89.9Confident72 Ų7240.5 Ų40.539%0.38526%0.255SS..Hα-helixtrans-62-41.6173.9-9124.5000112L474 Y475 P481 L497 K500L474-D477 HydrophobicContact CD2-CB 4.46Å; L474-D477 WeakPolarHBondContact O-CB 3.43Å; L474-D477 PolarHBondContact O-N 3.3Å; L474-D477 VanDerWaalsContact O-N 3.16Å; Y475-D477 VanDerWaalsContact C-N 3.34Å; Y475-D477 PolarHBondContact O-N 3.46Å; D477-P481 WeakPolarHBondContact O-CD 3.48Å; D477-L497 HydrophobicContact CB-CD1 4.16Å; D477-L497 HydrophobicContact CB-CD2 3.81Å; D477-L497 WeakPolarHBondContact O-CD1 3.25Å; D477-K500 IonicContact OD2-NZ 3.23Å; D477-K500 PolarHBondContact OD2-NZ 3.18Å; D477-K500 VanDerWaalsContact OD2-NZ 3.13Å
478F94.2Very high90.1Very high0 Ų043.1 Ų43.10%027%0.267CS..Hα-helixtrans-72.7-35.3177.2-81.3-69.1000113.1M470 L474 Y475 I494 L497 V498 L501 M542 V561M470-F478 HydrophobicContact CB-CD2 4.46Å; M470-F478 HydrophobicContact CB-CE2 4.26Å; M470-F478 HydrophobicContact CE-CB 4.38Å; M470-F478 HydrophobicContact CE-CD1 3.59Å; M470-F478 HydrophobicContact CE-CD2 3.69Å; M470-F478 HydrophobicContact CE-CE1 3.61Å; M470-F478 HydrophobicContact CE-CE2 3.72Å; M470-F478 HydrophobicContact CE-CG 3.64Å; M470-F478 HydrophobicContact CE-CZ 3.69Å; L474-F478 HydrophobicContact CB-CD2 3.77Å; L474-F478 HydrophobicContact CB-CE2 3.7Å; L474-F478 HydrophobicContact CD1-CE2 4.11Å; L474-F478 VanDerWaalsContact O-CD2 3.27Å; L474-F478 WeakPolarHBondContact O-CD2 3.44Å; L474-F478 PolarHBondContact O-N 3.3Å; Y475-F478 PolarHBondContact O-N 2.85Å; F478-I494 HydrophobicContact CE1-CG2 4.38Å; F478-L497 HydrophobicContact CD1-CB 3.89Å; F478-L497 HydrophobicContact CD1-CD1 3.87Å; F478-L497 HydrophobicContact CE1-CB 3.38Å; F478-L497 HydrophobicContact CE1-CD1 4.25Å; F478-L497 HydrophobicContact CE1-CG 4.46Å; F478-L497 HydrophobicContact CE2-CB 4.34Å; F478-L497 HydrophobicContact CG-CD1 4.2Å; F478-L497 HydrophobicContact CZ-CB 3.63Å; F478-V498 HydrophobicContact CE1-CG2 4.16Å; F478-V498 HydrophobicContact CZ-CG2 4.36Å; F478-L501 HydrophobicContact CE2-CD2 4.29Å; F478-L501 HydrophobicContact CZ-CD1 4.28Å; F478-L501 HydrophobicContact CZ-CG 4.39Å; F478-M542 HydrophobicContact CB-CE 3.52Å; F478-M542 HydrophobicContact CG-CE 4.41Å; F478-V561 HydrophobicContact CB-CG1 4.39Å; F478-V561 HydrophobicContact CD1-CG1 4.08Å; F478-V561 VanDerWaalsContact O-CG2 3.25Å; F478-V561 WeakPolarHBondContact O-CG2 3.5Å
479I92.6Very high90.1Very high5 Ų546.6 Ų46.63%0.02629%0.292CS..Hα-helixtrans-71.1-37.3179.7-66.9-67.6000112.2Y475 K476 A482 K483 M542 F557 Q558Y475-I479 HydrophobicContact CD1-CG1 4.33Å; Y475-I479 HydrophobicContact CE1-CG1 3.92Å; Y475-I479 HydrophobicContact CE2-CG1 4.3Å; Y475-I479 VanDerWaalsContact O-CG1 3.31Å; Y475-I479 WeakPolarHBondContact O-CG1 3.35Å; Y475-I479 PolarHBondContact O-N 3.26Å; Y475-I479 VanDerWaalsContact O-N 3.09Å; K476-I479 PolarHBondContact O-N 2.8Å; I479-A482 PolarHBondContact O-N 2.95Å; I479-K483 HydrophobicContact CG2-CD 4.15Å; I479-K483 HydrophobicContact CG2-CG 4.36Å; I479-K483 PolarHBondContact O-N 2.73Å; I479-M542 HydrophobicContact CD1-CE 3.79Å; I479-M542 HydrophobicContact CG1-CE 3.96Å; I479-F557 HydrophobicContact CD1-CB 3.95Å; I479-F557 HydrophobicContact CG2-CB 4.22Å; I479-Q558 HydrophobicContact CD1-CB 4.42Å; I479-Q558 HydrophobicContact CD1-CG 3.65Å
480A92.4Very high90.1Very high65 Ų6547.2 Ų47.254%0.53729%0.294SS..Hα-helixtrans-58.9-44.2-174.400000114.2K476 A482 K483K476-A480 PolarHBondContact O-N 2.95Å; K476-A480 VanDerWaalsContact O-N 3.09Å; A480-A482 PolarHBondContact O-N 3.3Å; A480-K483 PolarHBondContact O-N 3.23Å
481P92.3Very high89.9Confident24 Ų2447.5 Ų47.516%0.15630%0.296CS..Hα-helixtrans-61.2-38.5170.2-25.234.4000113.7D477 K483 G484 R490 A493 L497D477-P481 WeakPolarHBondContact O-CD 3.48Å; P481-K483 PolarHBondContact O-N 3.21Å; P481-K483 VanDerWaalsContact O-N 3.16Å; P481-G484 PolarHBondContact O-N 2.84Å; P481-R490 HydrophobicContact CB-CG 4.46Å; P481-R490 WeakPolarHBondContact O-CD 3.17Å; P481-R490 WeakPolarHBondContact O-CG 3.38Å; P481-A493 HydrophobicContact CB-CB 3.99Å; P481-A493 HydrophobicContact CG-CB 3.7Å; P481-L497 HydrophobicContact CG-CD1 4.49Å
482A91Very high89.9Confident0 Ų049.7 Ų49.70%031%0.305CS..Hα-helixtrans-64.8-21.4-179.100000113.3I479 A480 F557 I560 V561I479-A482 PolarHBondContact O-N 2.95Å; A480-A482 PolarHBondContact O-N 3.3Å; A482-F557 HydrophobicContact CB-CB 3.89Å; A482-F557 HydrophobicContact CB-CD1 4.25Å; A482-F557 WeakPolarHBondContact O-CD1 3.26Å; A482-I560 HydrophobicContact CB-CB 4.33Å; A482-I560 HydrophobicContact CB-CG2 4.05Å; A482-V561 HydrophobicContact CB-CG2 3.74Å
483K89.3Confident90.2Very high44 Ų4447.1 Ų47.119%0.19130%0.3CS..THydrogen-bonded Turntrans-77.4-12.3176.9-69.1-174.3173.4-175.40114.9D74 A75 I479 A480 P481 D554 F557D74-K483 VanDerWaalsContact OD1-CE 3.27Å; D74-K483 WeakPolarHBondContact OD1-CE 3.28Å; D74-K483 IonicContact OD1-NZ 3.11Å; D74-K483 PolarHBondContact OD1-NZ 2.7Å; D74-K483 IonicContact OD2-NZ 2.73Å; D74-K483 PolarHBondContact OD2-NZ 3.06Å; A75-K483 HydrophobicContact CB-CB 3.93Å; A75-K483 HydrophobicContact CB-CD 4.45Å; A75-K483 HydrophobicContact CB-CG 4.15Å; I479-K483 HydrophobicContact CG2-CD 4.15Å; I479-K483 HydrophobicContact CG2-CG 4.36Å; I479-K483 PolarHBondContact O-N 2.73Å; A480-K483 PolarHBondContact O-N 3.23Å; P481-K483 PolarHBondContact O-N 3.21Å; P481-K483 VanDerWaalsContact O-N 3.16Å; K483-D554 WeakPolarHBondContact CE-OD1 3.5Å; K483-D554 IonicContact NZ-OD1 3.47Å; K483-D554 PolarHBondContact NZ-OD1 3.39Å; K483-D554 IonicContact NZ-OD2 2.86Å; K483-F557 HydrophobicContact CB-CE1 4.4Å; K483-F557 HydrophobicContact CD-CD2 4.25Å; K483-F557 HydrophobicContact CD-CE2 4.18Å; K483-F557 VanDerWaalsContact CE-CE2 3.48Å; K483-F557 HydrophobicContact CG-CD1 3.84Å; K483-F557 HydrophobicContact CG-CD2 3.81Å; K483-F557 HydrophobicContact CG-CE1 3.85Å; K483-F557 HydrophobicContact CG-CE2 3.82Å; K483-F557 HydrophobicContact CG-CG 3.84Å; K483-F557 HydrophobicContact CG-CZ 3.84Å
484G81.6Confident90.5Very high32 Ų3243.9 Ų43.933%0.3327%0.266SS..SBendtrans176.5-177.5176.700000116.6P481 R490P481-G484 PolarHBondContact O-N 2.84Å; G484-R490 WeakPolarHBondContact O-CD 3.31Å; G484-R490 WeakPolarHBondContact O-CG 3.3Å
485G81.6Confident90.6Very high60 Ų6042.9 Ų42.962%0.61926%0.261SS*.SBendtrans87.5178.9-172.900000113.2
486S87.7Confident90.7Very high51 Ų5143.2 Ų43.236%0.35727%0.266SS..  trans-78.8158.7-178.582.60000112.1E488 S489 R490S486-E488 WeakPolarHBondContact CB-OE2 3.38Å; S486-E488 PolarHBondContact O-N 2.91Å; S486-E488 PolarHBondContact OG-OE2 2.7Å; S486-S489 PolarHBondContact O-N 3.16Å; S486-S489 PolarHBondContact OG-N 3.41Å; S486-R490 WeakPolarHBondContact O-CG 3.33Å; S486-R490 PolarHBondContact O-N 3.09Å
487P87.4Confident90.9Very high75 Ų7536.8 Ų36.849%0.48724%0.238SC..Hα-helixtrans-51.9-41.5176.1-25.334.7000113.3R490 S491P487-R490 PolarHBondContact O-N 3.11Å; P487-S491 WeakPolarHBondContact O-CB 3.27Å; P487-S491 PolarHBondContact O-N 2.96Å
488E88.3Confident91.1Very high129 Ų12933.3 Ų33.360%0.60322%0.22SC*.Hα-helixtrans-69.2-42.8-178.9-4671-151.400110.9S486 R490 S491 Q492S486-E488 WeakPolarHBondContact CB-OE2 3.38Å; S486-E488 PolarHBondContact O-N 2.91Å; S486-E488 PolarHBondContact OG-OE2 2.7Å; E488-R490 VanDerWaalsContact C-N 3.32Å; E488-R490 PolarHBondContact O-N 3.34Å; E488-S491 PolarHBondContact O-N 3.14Å; E488-Q492 WeakPolarHBondContact O-CB 3.36Å; E488-Q492 PolarHBondContact O-N 2.97Å
489S91.4Very high91Very high73 Ų7335.7 Ų35.751%0.5123%0.231SC..Hα-helixtrans-66.1-34.8177.3-170.80000112.2S486 A493S486-S489 PolarHBondContact O-N 3.16Å; S486-S489 PolarHBondContact OG-N 3.41Å; S489-A493 WeakPolarHBondContact O-CB 2.94Å; S489-A493 PolarHBondContact O-N 3.35Å; S489-A493 VanDerWaalsContact O-N 3.08Å
490R92.6Very high91.1Very high15 Ų1541.3 Ų41.36%0.05726%0.255CS..Hα-helixtrans-71-47.6175.4-67.3-177.5-64.3177-0.7111.5D78 P481 G484 S486 P487 E488 Q492 A493 I494 I564D78-R490 IonicContact OD1-NH1 3.96Å; D78-R490 IonicContact OD1-NH2 2.79Å; D78-R490 IonicContact OD2-CZ 2.66Å; D78-R490 IonicContact OD2-NH1 2.66Å; D78-R490 PolarHBondContact OD2-NH1 3.49Å; D78-R490 IonicContact OD2-NH2 3.44Å; D78-R490 PolarHBondContact OD2-NH2 3.21Å; P481-R490 HydrophobicContact CB-CG 4.46Å; P481-R490 WeakPolarHBondContact O-CD 3.17Å; P481-R490 WeakPolarHBondContact O-CG 3.38Å; G484-R490 WeakPolarHBondContact O-CD 3.31Å; G484-R490 WeakPolarHBondContact O-CG 3.3Å; S486-R490 WeakPolarHBondContact O-CG 3.33Å; S486-R490 PolarHBondContact O-N 3.09Å; P487-R490 PolarHBondContact O-N 3.11Å; E488-R490 VanDerWaalsContact C-N 3.32Å; E488-R490 PolarHBondContact O-N 3.34Å; R490-Q492 VanDerWaalsContact C-N 3.32Å; R490-Q492 PolarHBondContact O-N 2.95Å; R490-A493 PolarHBondContact O-N 3.18Å; R490-I494 WeakPolarHBondContact O-CB 3.21Å; R490-I494 WeakPolarHBondContact O-CG1 3.36Å; R490-I494 PolarHBondContact O-N 2.9Å; R490-I564 HydrophobicContact CB-CD1 4.1Å
491S91.8Very high91.2Very high7 Ų738.8 Ų38.85%0.04923%0.232CC..Hα-helixtrans-54.1-47.1173.5173.40000111.3P487 E488 I494 H495 Q568P487-S491 WeakPolarHBondContact O-CB 3.27Å; P487-S491 PolarHBondContact O-N 2.96Å; E488-S491 PolarHBondContact O-N 3.14Å; S491-I494 PolarHBondContact O-N 3.36Å; S491-H495 WeakPolarHBondContact O-CB 3.4Å; S491-H495 PolarHBondContact O-N 2.91Å; S491-Q568 PolarHBondContact OG-OE1 2.95Å
492Q91.1Very high91.4Very high57 Ų5740.6 Ų40.627%0.26624%0.244SC..Hα-helixtrans-68.7-37179.7-164.656.359.800113.4E488 R490 H495 C496E488-Q492 WeakPolarHBondContact O-CB 3.36Å; E488-Q492 PolarHBondContact O-N 2.97Å; R490-Q492 VanDerWaalsContact C-N 3.32Å; R490-Q492 PolarHBondContact O-N 2.95Å; Q492-H495 PolarHBondContact NE2-ND1 3.29Å; Q492-C496 PolarHBondContact O-N 2.85Å; Q492-C496 VanDerWaalsContact O-N 3.11Å; Q492-C496 PolarHBondContact O-SG 3.44Å
493A93.4Very high91.4Very high20 Ų2047.7 Ų47.717%0.16528%0.277CS..Hα-helixtrans-64.7-46.3174.200000111.5P481 S489 R490 H495 C496 L497P481-A493 HydrophobicContact CB-CB 3.99Å; P481-A493 HydrophobicContact CG-CB 3.7Å; S489-A493 WeakPolarHBondContact O-CB 2.94Å; S489-A493 PolarHBondContact O-N 3.35Å; S489-A493 VanDerWaalsContact O-N 3.08Å; R490-A493 PolarHBondContact O-N 3.18Å; A493-H495 PolarHBondContact O-N 2.76Å; A493-C496 PolarHBondContact O-N 3.25Å; A493-L497 VanDerWaalsContact O-CG 3.31Å; A493-L497 WeakPolarHBondContact O-CG 3.47Å; A493-L497 PolarHBondContact O-N 3.38Å
494I95.2Very high91.5Very high0 Ų049.9 Ų49.90%029%0.287CS..Hα-helixtrans-63.6-40.3177.7-69.1166.8000110.9F478 R490 S491 C496 L497 V498 V561 I564 L565 I572F478-I494 HydrophobicContact CE1-CG2 4.38Å; R490-I494 WeakPolarHBondContact O-CB 3.21Å; R490-I494 WeakPolarHBondContact O-CG1 3.36Å; R490-I494 PolarHBondContact O-N 2.9Å; S491-I494 PolarHBondContact O-N 3.36Å; I494-C496 PolarHBondContact O-N 2.9Å; I494-L497 PolarHBondContact O-N 3.45Å; I494-L497 VanDerWaalsContact O-N 3.14Å; I494-V498 HydrophobicContact CG2-CG2 4.4Å; I494-V498 WeakPolarHBondContact O-CG2 3.25Å; I494-V498 PolarHBondContact O-N 3.1Å; I494-V561 HydrophobicContact CD1-CG1 4.28Å; I494-V561 HydrophobicContact CD1-CG2 4.39Å; I494-I564 HydrophobicContact CD1-CB 4.13Å; I494-I564 HydrophobicContact CD1-CD1 3.76Å; I494-I564 HydrophobicContact CD1-CG2 3.95Å; I494-L565 HydrophobicContact CG2-CD2 3.62Å; I494-L565 HydrophobicContact CG2-CG 3.93Å; I494-I572 HydrophobicContact CG2-CD1 4.31Å
495H94.4Very high92.1Very high4 Ų449.3 Ų49.32%0.01928%0.276CS..Hα-helixtrans-55.7-50.3172.7-175.2-160000111.6S491 Q492 A493 L497 V498 H499 I572 D575S491-H495 WeakPolarHBondContact O-CB 3.4Å; S491-H495 PolarHBondContact O-N 2.91Å; Q492-H495 PolarHBondContact NE2-ND1 3.29Å; A493-H495 PolarHBondContact O-N 2.76Å; H495-L497 VanDerWaalsContact C-N 3.27Å; H495-L497 PolarHBondContact O-N 2.97Å; H495-V498 PolarHBondContact O-N 3.39Å; H495-H499 AromaticContact CD2-CD2 3.7Å; H495-H499 AromaticContact CD2-NE2 3.79Å; H495-H499 AromaticContact NE2-CD2 3.98Å; H495-H499 AromaticContact NE2-NE2 3.7Å; H495-H499 PolarHBondContact O-CD2 3.16Å; H495-H499 PolarHBondContact O-N 3.17Å; H495-I572 HydrophobicContact CB-CG1 4.13Å; H495-I572 PolarHBondContact CD2-O 2.58Å; H495-I572 VanDerWaalsContact CD2-O 3.31Å; H495-I572 PolarHBondContact NE2-O 2.69Å; H495-D575 PolarHBondContact NE2-O 2.72Å
496C93.5Very high92.8Very high27 Ų2750.3 Ų50.318%0.18226%0.262CS..Hα-helixtrans-62.7-31.1176.9-66.80000113.3Q492 A493 I494Q492-C496 PolarHBondContact O-N 2.85Å; Q492-C496 VanDerWaalsContact O-N 3.11Å; Q492-C496 PolarHBondContact O-SG 3.44Å; A493-C496 PolarHBondContact O-N 3.25Å; I494-C496 PolarHBondContact O-N 2.9Å
497L95.1Very high93Very high12 Ų1252 Ų526%0.06327%0.266CS..Hα-helixtrans-78.6-36.1178.2-68.3171.8000113.2D477 F478 P481 A493 I494 H495 H499 K500D477-L497 HydrophobicContact CB-CD1 4.16Å; D477-L497 HydrophobicContact CB-CD2 3.81Å; D477-L497 WeakPolarHBondContact O-CD1 3.25Å; F478-L497 HydrophobicContact CD1-CB 3.89Å; F478-L497 HydrophobicContact CD1-CD1 3.87Å; F478-L497 HydrophobicContact CE1-CB 3.38Å; F478-L497 HydrophobicContact CE1-CD1 4.25Å; F478-L497 HydrophobicContact CE1-CG 4.46Å; F478-L497 HydrophobicContact CE2-CB 4.34Å; F478-L497 HydrophobicContact CG-CD1 4.2Å; F478-L497 HydrophobicContact CZ-CB 3.63Å; P481-L497 HydrophobicContact CG-CD1 4.49Å; A493-L497 VanDerWaalsContact O-CG 3.31Å; A493-L497 WeakPolarHBondContact O-CG 3.47Å; A493-L497 PolarHBondContact O-N 3.38Å; I494-L497 PolarHBondContact O-N 3.45Å; I494-L497 VanDerWaalsContact O-N 3.14Å; H495-L497 VanDerWaalsContact C-N 3.27Å; H495-L497 PolarHBondContact O-N 2.97Å; L497-H499 PolarHBondContact O-N 3.46Å; L497-K500 HydrophobicContact CD2-CD 3.94Å; L497-K500 WeakPolarHBondContact O-CB 3.33Å; L497-K500 PolarHBondContact O-N 3.29Å
498V95.8Very high93.4Very high0 Ų048.6 Ų48.60%024%0.244CC..Hα-helixtrans-60.1-35.9174.6166.70000111.7F478 I494 H495 K500 L501 R506 L565 I572 F573F478-V498 HydrophobicContact CE1-CG2 4.16Å; F478-V498 HydrophobicContact CZ-CG2 4.36Å; I494-V498 HydrophobicContact CG2-CG2 4.4Å; I494-V498 WeakPolarHBondContact O-CG2 3.25Å; I494-V498 PolarHBondContact O-N 3.1Å; H495-V498 PolarHBondContact O-N 3.39Å; V498-K500 VanDerWaalsContact C-N 3.26Å; V498-K500 PolarHBondContact O-N 2.92Å; V498-L501 WeakPolarHBondContact O-CB 3.28Å; V498-L501 PolarHBondContact O-N 2.96Å; V498-R506 HydrophobicContact CG1-CG 4.11Å; V498-L565 HydrophobicContact CG2-CD2 3.56Å; V498-I572 HydrophobicContact CB-CG2 3.92Å; V498-I572 HydrophobicContact CG1-CG2 3.84Å; V498-I572 HydrophobicContact CG2-CG2 3.89Å; V498-F573 HydrophobicContact CG1-CD1 4.23Å; V498-F573 HydrophobicContact CG1-CE1 3.5Å; V498-F573 HydrophobicContact CG1-CE2 4.28Å; V498-F573 HydrophobicContact CG1-CZ 3.52Å; V498-F573 HydrophobicContact CG2-CZ 4.42Å
499H93.3Very high93.8Very high50 Ų5042.5 Ų42.523%0.23122%0.215CC..THydrogen-bonded Turntrans-79.4-1.3175.5-73.1-98000114.3H495 L497 R506 I572 D575 P577H495-H499 AromaticContact CD2-CD2 3.7Å; H495-H499 AromaticContact CD2-NE2 3.79Å; H495-H499 AromaticContact NE2-CD2 3.98Å; H495-H499 AromaticContact NE2-NE2 3.7Å; H495-H499 PolarHBondContact O-CD2 3.16Å; H495-H499 PolarHBondContact O-N 3.17Å; L497-H499 PolarHBondContact O-N 3.46Å; H499-R506 PolarHBondContact ND1-NH1 3.43Å; H499-I572 PolarHBondContact NE2-O 3.35Å; H499-D575 PolarHBondContact NE2-O 3.09Å; H499-P577 HydrophobicContact CB-CG 4.04Å
500K94.3Very high94.1Very high123 Ų12339.6 Ų39.654%0.53520%0.197SC..THydrogen-bonded Turntrans-89.2-12.5164.1-61.8-177.2-171.7173.70113.4L474 D477 L497 V498L474-K500 HydrophobicContact CD1-CB 3.92Å; L474-K500 HydrophobicContact CD2-CB 4.49Å; L474-K500 HydrophobicContact CD2-CD 4Å; D477-K500 IonicContact OD2-NZ 3.23Å; D477-K500 PolarHBondContact OD2-NZ 3.18Å; D477-K500 VanDerWaalsContact OD2-NZ 3.13Å; L497-K500 HydrophobicContact CD2-CD 3.94Å; L497-K500 WeakPolarHBondContact O-CB 3.33Å; L497-K500 PolarHBondContact O-N 3.29Å; V498-K500 VanDerWaalsContact C-N 3.26Å; V498-K500 PolarHBondContact O-N 2.92Å
501L94.9Very high94.2Very high11 Ų1141.7 Ų41.76%0.05821%0.209CC..SBendtrans-67.2149.8-179-72.2167.7000111.4T471 L474 F478 V498 N505 R506 L509T471-L501 HydrophobicContact CG2-CD2 4.02Å; L474-L501 HydrophobicContact CD1-CD2 3.91Å; L474-L501 HydrophobicContact CD1-CG 4.29Å; F478-L501 HydrophobicContact CE2-CD2 4.29Å; F478-L501 HydrophobicContact CZ-CD1 4.28Å; F478-L501 HydrophobicContact CZ-CG 4.39Å; V498-L501 WeakPolarHBondContact O-CB 3.28Å; V498-L501 PolarHBondContact O-N 2.96Å; L501-N505 HydrophobicContact CB-CB 4.41Å; L501-R506 HydrophobicContact CB-CB 4.24Å; L501-L509 HydrophobicContact CD1-CD2 3.54Å
502P94.7Very high94.5Very high63 Ų6341.4 Ų41.441%0.40921%0.207SC..  trans-54.8148.7170-2231.7000111.6T471 K504 N505 R506T471-P502 HydrophobicContact CG2-CG 4.37Å; P502-K504 PolarHBondContact O-N 3.47Å; P502-N505 HydrophobicContact CB-CB 4.33Å; P502-N505 WeakPolarHBondContact O-CA 3.29Å; P502-N505 WeakPolarHBondContact O-CB 3.3Å; P502-N505 PolarHBondContact O-N 3.23Å; P502-R506 PolarHBondContact O-N 2.56Å
503E91.6Very high94.8Very high149 Ų14938.7 Ų38.770%0.69620%0.195SC*.Hα-helixtrans-59.2-46.3-168.9-175.8170-151.700113.5N505 R506 L507E503-N505 VanDerWaalsContact C-N 3.33Å; E503-N505 PolarHBondContact O-N 3.24Å; E503-R506 PolarHBondContact O-N 2.92Å; E503-L507 WeakPolarHBondContact O-CB 3.46Å; E503-L507 PolarHBondContact O-N 3.41Å
504K91.4Very high95Very high89 Ų8944.1 Ų44.139%0.38721%0.214SC..Hα-helixtrans-62.3-38.6175.7-67.3-155.5177.7-1560111.9L391 D393 P502 L507 V508L391-K504 HydrophobicContact CD2-CB 3.88Å; L391-K504 HydrophobicContact CG-CB 4.24Å; L391-K504 WeakPolarHBondContact O-CD 3.42Å; D393-K504 VanDerWaalsContact CG-NZ 3.26Å; D393-K504 IonicContact OD1-NZ 2.9Å; D393-K504 PolarHBondContact OD1-NZ 3.08Å; D393-K504 IonicContact OD2-NZ 2.67Å; D393-K504 PolarHBondContact OD2-NZ 3.18Å; P502-K504 PolarHBondContact O-N 3.47Å; K504-L507 PolarHBondContact O-N 3.4Å; K504-V508 WeakPolarHBondContact O-CG2 3.45Å; K504-V508 PolarHBondContact O-N 3.48Å
505N94.8Very high95.2Very high21 Ų2144.2 Ų44.211%0.11222%0.215CC..Hα-helixtrans-62.3-49.7175.4-65.456.6000111.2L391 L469 L501 P502 E503 L507 V508 L509L391-N505 HydrophobicContact CD2-CB 4.29Å; L391-N505 VanDerWaalsContact CD2-OD1 3.23Å; L391-N505 WeakPolarHBondContact CD2-OD1 3.17Å; L469-N505 HydrophobicContact CD1-CB 4.15Å; L469-N505 WeakPolarHBondContact O-CB 3.43Å; L469-N505 PolarHBondContact O-ND2 2.86Å; L501-N505 HydrophobicContact CB-CB 4.41Å; P502-N505 HydrophobicContact CB-CB 4.33Å; P502-N505 WeakPolarHBondContact O-CA 3.29Å; P502-N505 WeakPolarHBondContact O-CB 3.3Å; P502-N505 PolarHBondContact O-N 3.23Å; E503-N505 VanDerWaalsContact C-N 3.33Å; E503-N505 PolarHBondContact O-N 3.24Å; N505-L507 VanDerWaalsContact C-N 3.33Å; N505-L507 PolarHBondContact O-N 2.91Å; N505-V508 PolarHBondContact O-N 2.97Å; N505-L509 WeakPolarHBondContact O-CB 3.32Å; N505-L509 PolarHBondContact O-N 3.32Å
506R95.1Very high95.3Very high81 Ų8144 Ų4431%0.30621%0.214SC..Hα-helixtrans-61.3-40.2178.7-171.1-179.962.6166.4-4.5111.7V498 H499 L501 P502 E503 G510 F573V498-R506 HydrophobicContact CG1-CG 4.11Å; H499-R506 PolarHBondContact ND1-NH1 3.43Å; L501-R506 HydrophobicContact CB-CB 4.24Å; P502-R506 PolarHBondContact O-N 2.56Å; E503-R506 PolarHBondContact O-N 2.92Å; R506-G510 PolarHBondContact O-N 2.77Å; R506-F573 HydrophobicContact CG-CD1 4.33Å; R506-F573 HydrophobicContact CG-CE1 4.03Å; R506-F573 WeakPolarHBondContact O-CE1 3.39Å
507L93.9Very high95.5Very high87 Ų8743.6 Ų43.646%0.45521%0.213SC..Hα-helixtrans-63.7-51.9177.4177.962.4000112.3L396 E503 K504 N505 L509 G510 L511L396-L507 HydrophobicContact CD1-CD2 4.28Å; L396-L507 HydrophobicContact CD1-CG 4.46Å; L396-L507 HydrophobicContact CD2-CD2 3.98Å; E503-L507 WeakPolarHBondContact O-CB 3.46Å; E503-L507 PolarHBondContact O-N 3.41Å; K504-L507 PolarHBondContact O-N 3.4Å; N505-L507 VanDerWaalsContact C-N 3.33Å; N505-L507 PolarHBondContact O-N 2.91Å; L507-L509 VanDerWaalsContact C-N 3.32Å; L507-L509 PolarHBondContact O-N 3.42Å; L507-G510 PolarHBondContact O-N 2.84Å; L507-L511 HydrophobicContact CG-CD1 4.48Å; L507-L511 WeakPolarHBondContact O-CG 3.25Å; L507-L511 PolarHBondContact O-N 3.29Å; L507-L511 VanDerWaalsContact O-N 3.08Å
508V95.4Very high95.7Very high3 Ų345 Ų452%0.01822%0.222CC..Hα-helixtrans-65.7-37.1179.3171.50000111.2L391 L396 V399 L462 L469 K504 N505 L512L391-V508 HydrophobicContact CD1-CB 4.3Å; L391-V508 HydrophobicContact CD1-CG1 4.32Å; L391-V508 HydrophobicContact CD1-CG2 3.95Å; L396-V508 HydrophobicContact CD1-CG2 3.75Å; V399-V508 HydrophobicContact CG1-CG1 4.44Å; V399-V508 HydrophobicContact CG2-CG1 4.28Å; L462-V508 HydrophobicContact CD2-CG1 4.34Å; L469-V508 HydrophobicContact CD1-CB 4.17Å; L469-V508 HydrophobicContact CD1-CG1 4.1Å; L469-V508 HydrophobicContact CD2-CB 4.5Å; L469-V508 HydrophobicContact CD2-CG1 3.98Å; K504-V508 WeakPolarHBondContact O-CG2 3.45Å; K504-V508 PolarHBondContact O-N 3.48Å; N505-V508 PolarHBondContact O-N 2.97Å; V508-L512 WeakPolarHBondContact O-CB 3.3Å; V508-L512 PolarHBondContact O-N 3.36Å
509L96.7Very high95.8Very high0 Ų045 Ų450%022%0.222CC..Hα-helixtrans-64.6-44.3175.8-175.764.5000111.5L469 M470 L501 N505 L507 L512 L513 L541 F573L469-L509 HydrophobicContact CD2-CB 3.85Å; L469-L509 HydrophobicContact CD2-CD1 3.98Å; L469-L509 HydrophobicContact CG-CB 4.29Å; M470-L509 HydrophobicContact CG-CD1 4.44Å; M470-L509 HydrophobicContact CG-CD2 4.21Å; L501-L509 HydrophobicContact CD1-CD2 3.54Å; N505-L509 WeakPolarHBondContact O-CB 3.32Å; N505-L509 PolarHBondContact O-N 3.32Å; L507-L509 VanDerWaalsContact C-N 3.32Å; L507-L509 PolarHBondContact O-N 3.42Å; L509-L512 PolarHBondContact O-N 2.97Å; L509-L513 HydrophobicContact CD1-CD1 3.79Å; L509-L513 HydrophobicContact CD1-CG 4.03Å; L509-L513 HydrophobicContact CD2-CD1 4.38Å; L509-L513 HydrophobicContact CG-CD1 3.66Å; L509-L513 HydrophobicContact CG-CG 4.31Å; L509-L513 WeakPolarHBondContact O-CB 3.37Å; L509-L513 VanDerWaalsContact O-CG 3.25Å; L509-L513 WeakPolarHBondContact O-CG 3.41Å; L509-L513 PolarHBondContact O-N 3.43Å; L509-L541 HydrophobicContact CD1-CD1 4.04Å; L509-F573 HydrophobicContact CB-CE1 4.5Å; L509-F573 HydrophobicContact CB-CZ 4.43Å; L509-F573 HydrophobicContact CD2-CZ 4.03Å; L509-F573 HydrophobicContact CG-CE1 4.46Å; L509-F573 HydrophobicContact CG-CZ 3.93Å
510G96.2Very high95.9Very high13 Ų1343.2 Ų43.213%0.13422%0.216CC..Hα-helixtrans-63.7-42.3177.400000113.3R506 L507 K514R506-G510 PolarHBondContact O-N 2.77Å; L507-G510 PolarHBondContact O-N 2.84Å; G510-K514 WeakPolarHBondContact O-CB 3.32Å; G510-K514 PolarHBondContact O-N 3.01Å; G510-K514 VanDerWaalsContact O-N 3.11Å
511L96.5Very high96.1Very high59 Ų5941 Ų4131%0.30922%0.22SC..Hα-helixtrans-60.2-46.9173.6-71.4171.5000111.6L396 K400 L507 H515L396-L511 HydrophobicContact CD1-CD1 3.76Å; K400-L511 HydrophobicContact CG-CD1 4.18Å; L507-L511 HydrophobicContact CG-CD1 4.48Å; L507-L511 WeakPolarHBondContact O-CG 3.25Å; L507-L511 PolarHBondContact O-N 3.29Å; L507-L511 VanDerWaalsContact O-N 3.08Å; L511-H515 PolarHBondContact O-N 3.12Å
512L97.8Very high96.2Very high1 Ų144 Ų441%0.00523%0.233CC..Hα-helixtrans-64.9-48179.6179.966.6000112.1L458 L462 V508 L509 K514 H515 L516 F537 L541L458-L512 HydrophobicContact CD2-CD1 4.47Å; L462-L512 HydrophobicContact CD1-CD1 4.41Å; L462-L512 HydrophobicContact CD1-CD2 3.67Å; V508-L512 WeakPolarHBondContact O-CB 3.3Å; V508-L512 PolarHBondContact O-N 3.36Å; L509-L512 PolarHBondContact O-N 2.97Å; L512-K514 PolarHBondContact O-N 3.45Å; L512-H515 WeakPolarHBondContact O-CB 3.35Å; L512-H515 PolarHBondContact O-N 2.91Å; L512-H515 VanDerWaalsContact O-N 3.15Å; L512-L516 HydrophobicContact CD1-CD1 4.45Å; L512-L516 HydrophobicContact CD1-CG 4.29Å; L512-L516 HydrophobicContact CG-CD1 4.17Å; L512-L516 HydrophobicContact CG-CG 4.34Å; L512-L516 WeakPolarHBondContact O-CG 3.41Å; L512-L516 PolarHBondContact O-N 2.91Å; L512-F537 HydrophobicContact CD1-CE1 4.05Å; L512-F537 HydrophobicContact CD1-CZ 4.37Å; L512-F537 HydrophobicContact CD2-CD1 4.11Å; L512-F537 HydrophobicContact CD2-CE1 4.01Å; L512-F537 HydrophobicContact CG-CE1 4.48Å; L512-L541 HydrophobicContact CD2-CD1 4.11Å; L512-L541 HydrophobicContact CD2-CD2 3.72Å; L512-L541 HydrophobicContact CD2-CG 4.47Å
513L97.9Very high96.2Very high0 Ų042.6 Ų42.60%023%0.226CC..Hα-helixtrans-67.1-36.1-176.2-69.7168.5000112.5L509 H515 L516 A517 L565 I566 H569 F573L509-L513 HydrophobicContact CD1-CD1 3.79Å; L509-L513 HydrophobicContact CD1-CG 4.03Å; L509-L513 HydrophobicContact CD2-CD1 4.38Å; L509-L513 HydrophobicContact CG-CD1 3.66Å; L509-L513 HydrophobicContact CG-CG 4.31Å; L509-L513 WeakPolarHBondContact O-CB 3.37Å; L509-L513 VanDerWaalsContact O-CG 3.25Å; L509-L513 WeakPolarHBondContact O-CG 3.41Å; L509-L513 PolarHBondContact O-N 3.43Å; L513-H515 VanDerWaalsContact C-N 3.35Å; L513-L516 PolarHBondContact O-N 3.17Å; L513-A517 PolarHBondContact O-N 2.66Å; L513-L565 HydrophobicContact CD1-CB 3.72Å; L513-L565 HydrophobicContact CD1-CD1 4.29Å; L513-L565 HydrophobicContact CD1-CD2 4Å; L513-L565 HydrophobicContact CD1-CG 4.23Å; L513-L565 HydrophobicContact CD2-CB 3.78Å; L513-L565 HydrophobicContact CG-CB 4.4Å; L513-I566 HydrophobicContact CD2-CG1 3.79Å; L513-H569 HydrophobicContact CB-CB 4.25Å; L513-F573 HydrophobicContact CD1-CE2 3.44Å; L513-F573 VanDerWaalsContact CD1-CE2 3.44Å; L513-F573 HydrophobicContact CD1-CZ 3.62Å
514K97.5Very high96.3Very high133 Ų13344.7 Ų44.758%0.57823%0.232SC*.Hα-helixtrans-58.1-48.3169.6-177.4178.4178.6-179.50111G510 L512 L516 A517 T518G510-K514 WeakPolarHBondContact O-CB 3.32Å; G510-K514 PolarHBondContact O-N 3.01Å; G510-K514 VanDerWaalsContact O-N 3.11Å; L512-K514 PolarHBondContact O-N 3.45Å; K514-L516 PolarHBondContact O-N 3Å; K514-A517 WeakPolarHBondContact O-CB 3.39Å; K514-A517 PolarHBondContact O-N 2.84Å; K514-A517 VanDerWaalsContact O-N 3.17Å; K514-T518 PolarHBondContact O-N 2.8Å; K514-T518 PolarHBondContact O-OG1 3.08Å
515H97.8Very high96.4Very high2 Ų245.4 Ų45.41%0.00924%0.24CC..Hα-helixtrans-59.9-43.8176.2173.355.6000112.7I403 E407 Y417 L511 L512 L513 A517 T518 V519I403-H515 HydrophobicContact CD1-CB 3.96Å; I403-H515 HydrophobicContact CG1-CB 4.01Å; I403-H515 HydrophobicContact CG2-CB 3.8Å; E407-H515 VanDerWaalsContact CD-ND1 3.3Å; E407-H515 VanDerWaalsContact CG-CE1 3.46Å; E407-H515 WeakPolarHBondContact CG-CE1 3.38Å; E407-H515 WeakPolarHBondContact CG-ND1 3.45Å; E407-H515 IonicContact OE1-CE1 2.83Å; E407-H515 IonicContact OE1-CG 3.95Å; E407-H515 IonicContact OE1-ND1 2.66Å; E407-H515 PolarHBondContact OE1-ND1 3.25Å; Y417-H515 AromaticContact CE2-NE2 3.55Å; Y417-H515 AromaticContact CZ-CD2 3.99Å; Y417-H515 AromaticContact CZ-NE2 3.69Å; Y417-H515 PolarHBondContact OH-CD2 3.25Å; Y417-H515 PolarHBondContact OH-NE2 3.4Å; L511-H515 PolarHBondContact O-N 3.12Å; L512-H515 WeakPolarHBondContact O-CB 3.35Å; L512-H515 PolarHBondContact O-N 2.91Å; L512-H515 VanDerWaalsContact O-N 3.15Å; L513-H515 VanDerWaalsContact C-N 3.35Å; H515-A517 VanDerWaalsContact C-N 3.25Å; H515-A517 PolarHBondContact O-N 3.17Å; H515-T518 WeakPolarHBondContact O-CA 3.45Å; H515-T518 VanDerWaalsContact O-CB 3.25Å; H515-T518 WeakPolarHBondContact O-CB 3.38Å; H515-T518 PolarHBondContact O-N 3.48Å; H515-V519 WeakPolarHBondContact O-CG2 3.14Å; H515-V519 PolarHBondContact O-N 2.93Å
516L98.1Very high96.4Very high0 Ų044.4 Ų44.40%024%0.235CC..Hα-helixtrans-64.8-29.7177.4-64.5-175.4000112.3Y417 L512 L513 K514 V519 A520 L533 F537 I566Y417-L516 HydrophobicContact CD2-CD2 4.14Å; Y417-L516 HydrophobicContact CE2-CD2 3.79Å; L512-L516 HydrophobicContact CD1-CD1 4.45Å; L512-L516 HydrophobicContact CD1-CG 4.29Å; L512-L516 HydrophobicContact CG-CD1 4.17Å; L512-L516 HydrophobicContact CG-CG 4.34Å; L512-L516 WeakPolarHBondContact O-CG 3.41Å; L512-L516 PolarHBondContact O-N 2.91Å; L513-L516 PolarHBondContact O-N 3.17Å; K514-L516 PolarHBondContact O-N 3Å; L516-V519 PolarHBondContact O-N 2.99Å; L516-A520 WeakPolarHBondContact O-CB 3.44Å; L516-A520 PolarHBondContact O-N 3.15Å; L516-L533 HydrophobicContact CB-CD1 4.23Å; L516-L533 HydrophobicContact CD2-CD2 4.28Å; L516-L533 VanDerWaalsContact O-CD1 3.27Å; L516-L533 WeakPolarHBondContact O-CD1 3.28Å; L516-F537 HydrophobicContact CD1-CB 4.29Å; L516-F537 HydrophobicContact CD1-CD1 4.06Å; L516-F537 HydrophobicContact CD1-CD2 3.6Å; L516-F537 HydrophobicContact CD1-CE1 4.29Å; L516-F537 HydrophobicContact CD1-CE2 3.85Å; L516-F537 HydrophobicContact CD1-CG 3.71Å; L516-F537 HydrophobicContact CD1-CZ 4.19Å; L516-F537 HydrophobicContact CD2-CD2 4.06Å; L516-F537 HydrophobicContact CD2-CE2 3.51Å; L516-F537 HydrophobicContact CD2-CZ 3.86Å; L516-F537 HydrophobicContact CG-CE2 4.34Å; L516-I566 HydrophobicContact CB-CD1 3.89Å; L516-I566 HydrophobicContact CB-CG1 3.96Å; L516-I566 HydrophobicContact CD1-CD1 4.1Å; L516-I566 HydrophobicContact CD1-CG1 4.48Å
517A97.7Very high96.3Very high19 Ų1945 Ų4516%0.15724%0.243CC..Hα-helixtrans-68.8-40.2168.900000112.2L513 K514 H515 V519 A520 A521 I566 H569L513-A517 PolarHBondContact O-N 2.66Å; K514-A517 WeakPolarHBondContact O-CB 3.39Å; K514-A517 PolarHBondContact O-N 2.84Å; K514-A517 VanDerWaalsContact O-N 3.17Å; H515-A517 VanDerWaalsContact C-N 3.25Å; H515-A517 PolarHBondContact O-N 3.17Å; A517-V519 VanDerWaalsContact C-N 3.31Å; A517-V519 PolarHBondContact O-N 3.48Å; A517-A520 PolarHBondContact O-N 3.1Å; A517-A521 PolarHBondContact O-N 3.03Å; A517-I566 HydrophobicContact CB-CG2 4.06Å; A517-H569 WeakPolarHBondContact CB-CE1 3.34Å; A517-H569 WeakPolarHBondContact CB-ND1 3.32Å
518T97.5Very high96.2Very high42 Ų4240.9 Ų40.926%0.25822%0.222SC..Hα-helixtrans-55.8-46.4170.4-41.80000111.1E407 I411 K514 H515 A521 H522E407-T518 HydrophobicContact CG-CG2 4.45Å; E407-T518 WeakPolarHBondContact OE1-CB 3.43Å; E407-T518 WeakPolarHBondContact OE1-CG2 3.37Å; E407-T518 PolarHBondContact OE1-OG1 3.34Å; I411-T518 HydrophobicContact CD1-CG2 4.08Å; K514-T518 PolarHBondContact O-N 2.8Å; K514-T518 PolarHBondContact O-OG1 3.08Å; H515-T518 WeakPolarHBondContact O-CA 3.45Å; H515-T518 VanDerWaalsContact O-CB 3.25Å; H515-T518 WeakPolarHBondContact O-CB 3.38Å; H515-T518 PolarHBondContact O-N 3.48Å; T518-A521 PolarHBondContact O-N 3.22Å; T518-H522 PolarHBondContact O-N 3.17Å; T518-H522 PolarHBondContact O-ND1 2.94Å
519V97.8Very high96.2Very high0 Ų043.5 Ų43.50%024%0.238CC..Hα-helixtrans-62.8-46177.7175.30000111I411 L416 Y417 H515 L516 A517 A521 H522 S523 N526 M528 L533I411-V519 HydrophobicContact CD1-CB 4.45Å; I411-V519 HydrophobicContact CD1-CG2 3.85Å; L416-V519 HydrophobicContact CB-CG1 4.22Å; L416-V519 HydrophobicContact CD1-CG1 3.86Å; L416-V519 HydrophobicContact CD1-CG2 4.06Å; Y417-V519 HydrophobicContact CE2-CG2 4.44Å; H515-V519 WeakPolarHBondContact O-CG2 3.14Å; H515-V519 PolarHBondContact O-N 2.93Å; L516-V519 PolarHBondContact O-N 2.99Å; A517-V519 VanDerWaalsContact C-N 3.31Å; A517-V519 PolarHBondContact O-N 3.48Å; V519-A521 VanDerWaalsContact C-N 3.32Å; V519-A521 PolarHBondContact O-N 3.47Å; V519-H522 CarbonylContact O-C 3.58Å; V519-H522 PolarHBondContact O-N 2.96Å; V519-S523 PolarHBondContact O-N 2.91Å; V519-N526 PolarHBondContact O-ND2 3.27Å; V519-M528 HydrophobicContact CG1-CB 4.05Å; V519-L533 HydrophobicContact CB-CD1 4.16Å; V519-L533 HydrophobicContact CG1-CD1 4Å; V519-L533 HydrophobicContact CG1-CD2 4.17Å
520A97Very high96.1Very high12 Ų1245 Ų4510%0.09925%0.247CC..Hα-helixtrans-62.8-34.617900000113.3L516 A517 H522 S523 V530 L533L516-A520 WeakPolarHBondContact O-CB 3.44Å; L516-A520 PolarHBondContact O-N 3.15Å; A517-A520 PolarHBondContact O-N 3.1Å; A520-H522 PolarHBondContact O-N 3.43Å; A520-S523 WeakPolarHBondContact O-CB 3.36Å; A520-S523 PolarHBondContact O-N 3.08Å; A520-S523 VanDerWaalsContact O-N 3.16Å; A520-S523 PolarHBondContact O-OG 3.09Å; A520-V530 HydrophobicContact CB-CG2 3.85Å; A520-L533 HydrophobicContact CB-CD1 4.09Å
521A97Very high95.9Very high77 Ų7745 Ų4564%0.63625%0.245SC*.Hα-helixtrans-62.7-30.217400000112.6A517 T518 V519 S523A517-A521 PolarHBondContact O-N 3.03Å; T518-A521 PolarHBondContact O-N 3.22Å; V519-A521 VanDerWaalsContact C-N 3.32Å; V519-A521 PolarHBondContact O-N 3.47Å; A521-S523 VanDerWaalsContact C-N 3.34Å
522H96.9Very high95.7Very high72 Ų7243.6 Ų43.633%0.33324%0.238SC..THydrogen-bonded Turntrans-9110.3177.5-65.483.3000113.6I411 T518 V519 A520 K524 L525 N526I411-H522 HydrophobicContact CG1-CB 4.21Å; T518-H522 PolarHBondContact O-N 3.17Å; T518-H522 PolarHBondContact O-ND1 2.94Å; V519-H522 CarbonylContact O-C 3.58Å; V519-H522 PolarHBondContact O-N 2.96Å; A520-H522 PolarHBondContact O-N 3.43Å; H522-K524 PolarHBondContact O-N 2.91Å; H522-L525 PolarHBondContact O-N 3.06Å; H522-N526 WeakPolarHBondContact CB-ND2 3.35Å; H522-N526 PolarHBondContact O-N 3.39Å; H522-N526 VanDerWaalsContact O-N 3.1Å
523S95.1Very high95.6Very high35 Ų3543.6 Ų43.625%0.24524%0.238CC..Hα-helixtrans-55.1-19.3-178.454.50000116V519 A520 A521 L525 N526 L527 M528V519-S523 PolarHBondContact O-N 2.91Å; A520-S523 WeakPolarHBondContact O-CB 3.36Å; A520-S523 PolarHBondContact O-N 3.08Å; A520-S523 VanDerWaalsContact O-N 3.16Å; A520-S523 PolarHBondContact O-OG 3.09Å; A521-S523 VanDerWaalsContact C-N 3.34Å; S523-L525 VanDerWaalsContact C-N 3.25Å; S523-L525 PolarHBondContact O-N 2.82Å; S523-N526 VanDerWaalsContact CA-OD1 3.31Å; S523-N526 WeakPolarHBondContact CA-OD1 3.23Å; S523-L527 VanDerWaalsContact O-CA 3.25Å; S523-L527 WeakPolarHBondContact O-CA 3.48Å; S523-L527 PolarHBondContact O-N 2.96Å; S523-L527 VanDerWaalsContact O-N 3.11Å; S523-M528 WeakPolarHBondContact CB-O 3.42Å
524K93.8Very high95.4Very high193 Ų19343.6 Ų43.684%0.83924%0.238SC*.Hα-helixtrans-66.7-23172.1-66.4-179.1-179.1175.60114H522H522-K524 PolarHBondContact O-N 2.91Å
525L94.1Very high95.1Very high104 Ų10438.5 Ų38.555%0.54522%0.218SC..Hα-helixtrans-113.2-50-179.3-62.3177000111.1N412 H522 S523 L527N412-L525 HydrophobicContact CB-CB 4.3Å; N412-L525 HydrophobicContact CB-CD1 4.44Å; N412-L525 WeakPolarHBondContact OD1-CD1 3.37Å; H522-L525 PolarHBondContact O-N 3.06Å; S523-L525 VanDerWaalsContact C-N 3.25Å; S523-L525 PolarHBondContact O-N 2.82Å; L525-L527 VanDerWaalsContact C-N 3.31Å; L525-L527 PolarHBondContact O-N 2.82Å
526N95.2Very high94.9Very high0 Ų039.6 Ų39.60%023%0.225CC..Hα-helixtrans-81.1-6.3-178.669.834.3000114.2I411 D413 G415 L416 V519 H522 S523 M528I411-N526 PolarHBondContact O-ND2 2.93Å; D413-N526 VanDerWaalsContact O-CB 3.25Å; D413-N526 WeakPolarHBondContact O-CB 3.07Å; G415-N526 PolarHBondContact N-O 3.27Å; L416-N526 HydrophobicContact CD1-CB 4.28Å; V519-N526 PolarHBondContact O-ND2 3.27Å; H522-N526 WeakPolarHBondContact CB-ND2 3.35Å; H522-N526 PolarHBondContact O-N 3.39Å; H522-N526 VanDerWaalsContact O-N 3.1Å; S523-N526 VanDerWaalsContact CA-OD1 3.31Å; S523-N526 WeakPolarHBondContact CA-OD1 3.23Å; N526-M528 PolarHBondContact O-N 3.46Å; N526-M528 VanDerWaalsContact O-N 3.14Å; N526-M528 WeakPolarHBondContact OD1-CB 3.33Å; N526-M528 PolarHBondContact OD1-N 3.4Å
527L91.6Very high94.8Very high93 Ų9339.6 Ų39.649%0.48723%0.225SC..  trans61.413.7178.8-48.8179.3000115.6Q414 S523 L525 N532Q414-L527 HydrophobicContact CG-CD1 4.3Å; Q414-L527 HydrophobicContact CG-CG 4.5Å; S523-L527 VanDerWaalsContact O-CA 3.25Å; S523-L527 WeakPolarHBondContact O-CA 3.48Å; S523-L527 PolarHBondContact O-N 2.96Å; S523-L527 VanDerWaalsContact O-N 3.11Å; L525-L527 VanDerWaalsContact C-N 3.31Å; L525-L527 PolarHBondContact O-N 2.82Å; L527-N532 PolarHBondContact O-ND2 3.01Å
528M93.6Very high94.6Very high1 Ų138.7 Ų38.71%0.00522%0.217CC..  trans-103.887.9-178.8-66.3-58.2-62.600111.7L416 R418 V519 S523 N526 N532 L533 V536L416-M528 HydrophobicContact CB-CG 4.25Å; L416-M528 WeakPolarHBondContact O-CE 3.41Å; L416-M528 VanDerWaalsContact O-CG 3.31Å; L416-M528 WeakPolarHBondContact O-CG 3.32Å; R418-M528 HydrophobicContact CB-CE 3.94Å; R418-M528 HydrophobicContact CB-SD 3.72Å; V519-M528 HydrophobicContact CG1-CB 4.05Å; S523-M528 WeakPolarHBondContact CB-O 3.42Å; N526-M528 PolarHBondContact O-N 3.46Å; N526-M528 VanDerWaalsContact O-N 3.14Å; N526-M528 WeakPolarHBondContact OD1-CB 3.33Å; N526-M528 PolarHBondContact OD1-N 3.4Å; M528-N532 HydrophobicContact CE-CB 3.7Å; M528-N532 HydrophobicContact SD-CB 4.1Å; M528-L533 HydrophobicContact CB-CD2 4.08Å; M528-L533 HydrophobicContact CB-CG 4.26Å; M528-L533 HydrophobicContact CE-CD2 3.64Å; M528-L533 HydrophobicContact CE-CG 4.21Å; M528-V536 HydrophobicContact CE-CG2 4.41Å
529T94.3Very high94.2Very high58 Ų5838.1 Ų38.136%0.35621%0.214SC..  trans-66.8165.717061.60000112.2A531 N532 L533T529-A531 VanDerWaalsContact C-N 3.29Å; T529-A531 PolarHBondContact O-N 3.44Å; T529-N532 WeakPolarHBondContact O-CB 3.31Å; T529-N532 PolarHBondContact O-N 3.04Å; T529-N532 PolarHBondContact OG1-N 2.67Å; T529-L533 WeakPolarHBondContact O-CG 3.26Å; T529-L533 PolarHBondContact O-N 3.27Å
530V95.2Very high93.9Very high30 Ų3038.1 Ų38.118%0.18221%0.214CC..Hα-helixtrans-49.1-48.8171.8-178.60000111.4A520 N532 L533 G534 E563 I566 E567A520-V530 HydrophobicContact CB-CG2 3.85Å; V530-N532 PolarHBondContact O-N 3.29Å; V530-L533 PolarHBondContact O-N 3.27Å; V530-G534 PolarHBondContact O-N 2.88Å; V530-E563 HydrophobicContact CG1-CB 3.91Å; V530-E563 HydrophobicContact CG1-CG 4.07Å; V530-I566 HydrophobicContact CG1-CB 4.2Å; V530-I566 HydrophobicContact CG1-CG2 4.23Å; V530-I566 HydrophobicContact CG2-CG2 4.29Å; V530-E567 HydrophobicContact CG1-CG 3.9Å; V530-E567 HydrophobicContact CG2-CG 4.23Å
531A92.3Very high93.8Very high13 Ų1337.5 Ų37.511%0.10721%0.21CC..Hα-helixtrans-63.3-38.6177.900000113.3T529 L533 G534 V535T529-A531 VanDerWaalsContact C-N 3.29Å; T529-A531 PolarHBondContact O-N 3.44Å; A531-L533 VanDerWaalsContact C-N 3.32Å; A531-L533 PolarHBondContact O-N 2.86Å; A531-G534 PolarHBondContact O-N 3.49Å; A531-V535 WeakPolarHBondContact O-CG2 3.45Å; A531-V535 PolarHBondContact O-N 2.94Å
532N92.4Very high93.6Very high31 Ų3134 Ų3417%0.16618%0.18CC..Hα-helixtrans-65.2-35.8174.7-74.5-13.6000111.8L527 M528 T529 V530 V536L527-N532 PolarHBondContact O-ND2 3.01Å; M528-N532 HydrophobicContact CE-CB 3.7Å; M528-N532 HydrophobicContact SD-CB 4.1Å; T529-N532 WeakPolarHBondContact O-CB 3.31Å; T529-N532 PolarHBondContact O-N 3.04Å; T529-N532 PolarHBondContact OG1-N 2.67Å; V530-N532 PolarHBondContact O-N 3.29Å; N532-V536 WeakPolarHBondContact O-CG2 3.42Å
533L95.1Very high93.1Very high0 Ų032 Ų320%017%0.17CC..Hα-helixtrans-73.3-38.3174.2-64.6172.2000111.7Y417 L516 V519 A520 M528 T529 V530 A531 V535 V536 F537 I566Y417-L533 HydrophobicContact CD2-CD2 4.36Å; L516-L533 HydrophobicContact CB-CD1 4.23Å; L516-L533 HydrophobicContact CD2-CD2 4.28Å; L516-L533 VanDerWaalsContact O-CD1 3.27Å; L516-L533 WeakPolarHBondContact O-CD1 3.28Å; V519-L533 HydrophobicContact CB-CD1 4.16Å; V519-L533 HydrophobicContact CG1-CD1 4Å; V519-L533 HydrophobicContact CG1-CD2 4.17Å; A520-L533 HydrophobicContact CB-CD1 4.09Å; M528-L533 HydrophobicContact CB-CD2 4.08Å; M528-L533 HydrophobicContact CB-CG 4.26Å; M528-L533 HydrophobicContact CE-CD2 3.64Å; M528-L533 HydrophobicContact CE-CG 4.21Å; T529-L533 WeakPolarHBondContact O-CG 3.26Å; T529-L533 PolarHBondContact O-N 3.27Å; V530-L533 PolarHBondContact O-N 3.27Å; A531-L533 VanDerWaalsContact C-N 3.32Å; A531-L533 PolarHBondContact O-N 2.86Å; L533-V535 PolarHBondContact O-N 3.01Å; L533-V536 PolarHBondContact O-N 2.93Å; L533-V536 VanDerWaalsContact O-N 3.09Å; L533-F537 WeakPolarHBondContact O-CB 3.41Å; L533-F537 PolarHBondContact O-N 2.93Å; L533-I566 HydrophobicContact CB-CD1 3.95Å
534G94.4Very high92.3Very high0 Ų032.3 Ų32.30%017%0.171CC..Hα-helixtrans-53.1-51.2172.800000112.3V530 A531 V536 F537 G538 N559V530-G534 PolarHBondContact O-N 2.88Å; A531-G534 PolarHBondContact O-N 3.49Å; G534-V536 VanDerWaalsContact C-N 3.26Å; G534-V536 PolarHBondContact O-N 2.88Å; G534-F537 PolarHBondContact O-N 3.04Å; G534-G538 PolarHBondContact O-N 2.83Å; G534-N559 PolarHBondContact O-OD1 3.27Å; G534-N559 VanDerWaalsContact O-OD1 3.11Å
535V91.4Very high91.5Very high26 Ų2630.4 Ų30.416%0.15817%0.165CC..Hα-helixtrans-58.6-32.9176.2172.80000113.2R238 A531 L533R238-V535 HydrophobicContact CG-CG2 3.74Å; A531-V535 WeakPolarHBondContact O-CG2 3.45Å; A531-V535 PolarHBondContact O-N 2.94Å; L533-V535 PolarHBondContact O-N 3.01Å
536V92.3Very high90.4Very high25 Ų2530.4 Ų30.415%0.15216%0.162CC..Hα-helixtrans-83.1-36.5179.9173.60000112.3K459 M528 N532 L533 G534 T540K459-V536 HydrophobicContact CD-CG1 3.74Å; M528-V536 HydrophobicContact CE-CG2 4.41Å; N532-V536 WeakPolarHBondContact O-CG2 3.42Å; L533-V536 PolarHBondContact O-N 2.93Å; L533-V536 VanDerWaalsContact O-N 3.09Å; G534-V536 VanDerWaalsContact C-N 3.26Å; G534-V536 PolarHBondContact O-N 2.88Å; V536-T540 PolarHBondContact O-OG1 3.49Å
537F95.7Very high89.4Confident0 Ų034.1 Ų34.10%018%0.182CC..Hα-helixtrans-98.2-23.1-171.7-81.8-84.7000114.7Y417 K459 L462 L512 L516 L533 G534 T540 L541 V562Y417-F537 AromaticContact CD1-CE2 3.9Å; Y417-F537 HydrophobicContact CD1-CE2 3.9Å; Y417-F537 AromaticContact CD1-CZ 3.6Å; Y417-F537 HydrophobicContact CD1-CZ 3.6Å; Y417-F537 AromaticContact CD2-CE2 3.99Å; Y417-F537 HydrophobicContact CD2-CE2 3.99Å; Y417-F537 HydrophobicContact CD2-CZ 4.3Å; Y417-F537 HydrophobicContact CE1-CE2 4.35Å; Y417-F537 AromaticContact CE1-CZ 3.72Å; Y417-F537 HydrophobicContact CE1-CZ 3.72Å; Y417-F537 HydrophobicContact CE2-CE2 4.42Å; Y417-F537 HydrophobicContact CE2-CZ 4.39Å; Y417-F537 AromaticContact CG-CE2 3.69Å; Y417-F537 HydrophobicContact CG-CE2 3.69Å; Y417-F537 AromaticContact CG-CZ 3.89Å; Y417-F537 HydrophobicContact CG-CZ 3.89Å; K459-F537 HydrophobicContact CG-CE1 4.46Å; K459-F537 HydrophobicContact CG-CZ 4.25Å; L462-F537 HydrophobicContact CD1-CE1 4.15Å; L512-F537 HydrophobicContact CD1-CE1 4.05Å; L512-F537 HydrophobicContact CD1-CZ 4.37Å; L512-F537 HydrophobicContact CD2-CD1 4.11Å; L512-F537 HydrophobicContact CD2-CE1 4.01Å; L512-F537 HydrophobicContact CG-CE1 4.48Å; L516-F537 HydrophobicContact CD1-CB 4.29Å; L516-F537 HydrophobicContact CD1-CD1 4.06Å; L516-F537 HydrophobicContact CD1-CD2 3.6Å; L516-F537 HydrophobicContact CD1-CE1 4.29Å; L516-F537 HydrophobicContact CD1-CE2 3.85Å; L516-F537 HydrophobicContact CD1-CG 3.71Å; L516-F537 HydrophobicContact CD1-CZ 4.19Å; L516-F537 HydrophobicContact CD2-CD2 4.06Å; L516-F537 HydrophobicContact CD2-CE2 3.51Å; L516-F537 HydrophobicContact CD2-CZ 3.86Å; L516-F537 HydrophobicContact CG-CE2 4.34Å; L533-F537 WeakPolarHBondContact O-CB 3.41Å; L533-F537 PolarHBondContact O-N 2.93Å; G534-F537 PolarHBondContact O-N 3.04Å; F537-T540 HydrophobicContact CD1-CG2 4.42Å; F537-T540 CarbonylContact O-C 3.51Å; F537-T540 PolarHBondContact O-N 3.13Å; F537-L541 HydrophobicContact CB-CD1 4.13Å; F537-L541 HydrophobicContact CB-CG 4.36Å; F537-L541 HydrophobicContact CD1-CD1 4.29Å; F537-L541 HydrophobicContact CD1-CD2 4.48Å; F537-L541 HydrophobicContact CD1-CG 4.21Å; F537-L541 WeakPolarHBondContact O-CB 3.37Å; F537-L541 WeakPolarHBondContact O-CG 3.26Å; F537-L541 PolarHBondContact O-N 3.5Å; F537-V562 HydrophobicContact CB-CG1 3.86Å
538G94Very high88.8Confident0 Ų032.2 Ų32.20%017%0.174CC..Hα-helixtrans-46.8-68.1171.500000112.8G534 T540 L541 M542 Q558G534-G538 PolarHBondContact O-N 2.83Å; G538-T540 PolarHBondContact O-N 3.18Å; G538-T540 VanDerWaalsContact O-N 3.12Å; G538-L541 PolarHBondContact O-N 2.92Å; G538-M542 WeakPolarHBondContact O-CB 3.46Å; G538-M542 PolarHBondContact O-N 3.13Å; G538-Q558 VanDerWaalsContact C-OE1 3.27Å; G538-Q558 PolarHBondContact O-OE1 3.11Å
539P90Very high88.2Confident30 Ų3035.8 Ų35.820%0.19520%0.196CC..Hα-helixtrans-64.4-16.1176.723.4-33.6000114.5R543 L555P539-R543 WeakPolarHBondContact O-CG 3.44Å; P539-L555 HydrophobicContact CB-CD2 3.81Å; P539-L555 HydrophobicContact CG-CD2 4.37Å
540T91.5Very high87.5Confident0 Ų036.3 Ų36.30%021%0.206CC..Hα-helixtrans-82.1-39.5177.8-580000111.4L462 R463 V536 F537 G538 R543L462-T540 HydrophobicContact CB-CG2 3.95Å; R463-T540 PolarHBondContact NH2-OG1 3.27Å; V536-T540 PolarHBondContact O-OG1 3.49Å; F537-T540 HydrophobicContact CD1-CG2 4.42Å; F537-T540 CarbonylContact O-C 3.51Å; F537-T540 PolarHBondContact O-N 3.13Å; G538-T540 PolarHBondContact O-N 3.18Å; G538-T540 VanDerWaalsContact O-N 3.12Å; T540-R543 PolarHBondContact O-NH1 2.91Å
541L94.9Very high86.9Confident0 Ų035.4 Ų35.40%020%0.202CC..Hα-helixtrans-95.6-29.1-175.2-61-179.4000113.7L462 P468 L469 M470 L509 L512 F537 G538 V562L462-L541 HydrophobicContact CD1-CD2 4.29Å; P468-L541 VanDerWaalsContact CB-O 3.28Å; P468-L541 WeakPolarHBondContact CB-O 3.44Å; L469-L541 HydrophobicContact CB-CD2 4.16Å; L469-L541 HydrophobicContact CD2-CD2 3.97Å; L469-L541 PolarHBondContact N-O 3.03Å; M470-L541 HydrophobicContact CG-CB 4.39Å; M470-L541 PolarHBondContact N-O 3.25Å; M470-L541 HydrophobicContact SD-CB 4.15Å; L509-L541 HydrophobicContact CD1-CD1 4.04Å; L512-L541 HydrophobicContact CD2-CD1 4.11Å; L512-L541 HydrophobicContact CD2-CD2 3.72Å; L512-L541 HydrophobicContact CD2-CG 4.47Å; F537-L541 HydrophobicContact CB-CD1 4.13Å; F537-L541 HydrophobicContact CB-CG 4.36Å; F537-L541 HydrophobicContact CD1-CD1 4.29Å; F537-L541 HydrophobicContact CD1-CD2 4.48Å; F537-L541 HydrophobicContact CD1-CG 4.21Å; F537-L541 WeakPolarHBondContact O-CB 3.37Å; F537-L541 WeakPolarHBondContact O-CG 3.26Å; F537-L541 PolarHBondContact O-N 3.5Å; G538-L541 PolarHBondContact O-N 2.92Å; L541-V562 HydrophobicContact CD1-CG2 4.24Å
542M92.3Very high86.4Confident2 Ų235.5 Ų35.51%0.0120%0.2CC..SBendtrans-120.656.7-176.7-62.3-175.767.700111.3M470 Y475 F478 I479 G538 Q558 V561M470-M542 HydrophobicContact CB-CG 4.1Å; M470-M542 HydrophobicContact CE-CG 4.03Å; M470-M542 HydrophobicContact CE-SD 3.86Å; M470-M542 HydrophobicContact CG-CG 4.27Å; M470-M542 HydrophobicContact SD-CG 3.46Å; M470-M542 WeakPolarHBondContact SD-CG 3.36Å; M470-M542 HydrophobicContact SD-SD 3.94Å; Y475-M542 HydrophobicContact CD2-CB 4.23Å; Y475-M542 HydrophobicContact CD2-CE 4.2Å; Y475-M542 HydrophobicContact CE2-CB 4.18Å; Y475-M542 HydrophobicContact CE2-CE 4.38Å; Y475-M542 WeakPolarHBondContact CE2-O 3.4Å; F478-M542 HydrophobicContact CB-CE 3.52Å; F478-M542 HydrophobicContact CG-CE 4.41Å; I479-M542 HydrophobicContact CD1-CE 3.79Å; I479-M542 HydrophobicContact CG1-CE 3.96Å; G538-M542 WeakPolarHBondContact O-CB 3.46Å; G538-M542 PolarHBondContact O-N 3.13Å; M542-Q558 HydrophobicContact CB-CB 4.29Å; M542-Q558 HydrophobicContact CB-CG 3.89Å; M542-Q558 HydrophobicContact CE-CG 4.34Å; M542-Q558 VanDerWaalsContact O-CD 3.26Å; M542-Q558 PolarHBondContact O-NE2 3.01Å; M542-Q558 PolarHBondContact O-OE1 3.29Å; M542-Q558 HydrophobicContact SD-CB 4.13Å; M542-Q558 HydrophobicContact SD-CG 4.23Å; M542-V561 HydrophobicContact CE-CG2 4.47Å; M542-V561 HydrophobicContact SD-CB 3.88Å; M542-V561 HydrophobicContact SD-CG1 3.85Å; M542-V561 HydrophobicContact SD-CG2 4.3Å
543R87Confident86.1Confident32 Ų3236.6 Ų36.612%0.12121%0.205CC..  trans-58.6125.8175.1-65.1-173.1-67.6-77.517.5110L462 L465 E467 P468 Y472 P539 T540L462-R543 PolarHBondContact O-NH1 3.11Å; L462-R543 PolarHBondContact O-NH2 3.46Å; L465-R543 PolarHBondContact O-NH2 2.78Å; E467-R543 VanDerWaalsContact C-NH2 3.29Å; E467-R543 PolarHBondContact O-NH2 3.38Å; E467-R543 VanDerWaalsContact O-NH2 3.09Å; P468-R543 HydrophobicContact CB-CB 4.08Å; P468-R543 HydrophobicContact CB-CG 4.48Å; P468-R543 HydrophobicContact CG-CB 4.25Å; Y472-R543 HydrophobicContact CE1-CB 4.48Å; Y472-R543 WeakPolarHBondContact CE1-O 3.37Å; P539-R543 WeakPolarHBondContact O-CG 3.44Å; T540-R543 PolarHBondContact O-NH1 2.91Å
544P77.6Confident85.7Confident40 Ų4038 Ų3826%0.2621%0.212SC..  trans-67.7153.1171.929.5-34.1000110.3Y475 E546 A551Y475-P544 HydrophobicContact CE2-CB 4.4Å; P544-E546 VanDerWaalsContact C-N 3.34Å; P544-A551 HydrophobicContact CB-CB 3.79Å; P544-A551 HydrophobicContact CG-CB 4.14Å
545Q76.5Confident85.4Confident153 Ų15338.5 Ų38.572%0.71522%0.215SC*.SBendtrans-81.2-16.7175.5-166.1176.90.500112.6Y472Y472-Q545 HydrophobicContact CD1-CB 3.78Å; Y472-Q545 HydrophobicContact CD1-CG 4.29Å; Y472-Q545 HydrophobicContact CE1-CB 4.13Å; Y472-Q545 HydrophobicContact CG-CB 4.3Å; Y472-Q545 HydrophobicContact CG-CG 4.43Å
546E71.8Confident85.3Confident104 Ų10438.3 Ų38.349%0.48621%0.212SC..SBendtrans-116.5124.5-174.3-63.7171-146.500110.5K476 P544 T548 A551K476-E546 IonicContact NZ-OE1 2.72Å; P544-E546 VanDerWaalsContact C-N 3.34Å; E546-T548 VanDerWaalsContact C-N 3.29Å; E546-T548 HydrophobicContact CB-CG2 4.18Å; E546-T548 PolarHBondContact O-N 3.14Å; E546-A551 VanDerWaalsContact O-CB 3.3Å; E546-A551 WeakPolarHBondContact O-CB 3.24Å
547D72.9Confident85.3Confident79 Ų7937.1 Ų37.142%0.42221%0.205SC..  trans-79.771.3174.4-92-44.6000111L249 R252 Y260L249-D547 HydrophobicContact CD1-CB 3.93Å; R252-D547 IonicContact CZ-OD1 3.82Å; R252-D547 VanDerWaalsContact CZ-OD1 3.32Å; R252-D547 IonicContact CZ-OD2 2.69Å; R252-D547 IonicContact NH1-OD1 3.47Å; R252-D547 PolarHBondContact NH1-OD1 2.89Å; R252-D547 IonicContact NH1-OD2 3.54Å; R252-D547 PolarHBondContact NH1-OD2 3.32Å; R252-D547 IonicContact NH2-OD1 2.8Å; R252-D547 PolarHBondContact NH2-OD1 2.87Å; R252-D547 IonicContact NH2-OD2 3.13Å; Y260-D547 HydrophobicContact CE1-CB 4.49Å
548T79.6Confident85.2Confident52 Ų5237.1 Ų37.132%0.31921%0.205SC..SBendtrans-128.6155-17869.70000113.1E546 A550 A551 I552E546-T548 VanDerWaalsContact C-N 3.29Å; E546-T548 HydrophobicContact CB-CG2 4.18Å; E546-T548 PolarHBondContact O-N 3.14Å; T548-A550 PolarHBondContact O-N 3.09Å; T548-A551 PolarHBondContact O-N 2.88Å; T548-A551 PolarHBondContact OG1-N 2.89Å; T548-A551 VanDerWaalsContact OG1-N 3.14Å; T548-I552 WeakPolarHBondContact O-CG1 3.15Å; T548-I552 PolarHBondContact O-N 3.47Å
549V80.4Confident85.2Confident76 Ų7637.3 Ų37.346%0.46121%0.206SC..Hα-helixtrans-60.6-32.2173.5-179.10000111.3L249 I552 M553L249-V549 HydrophobicContact CD2-CG2 4.16Å; V549-I552 PolarHBondContact O-N 3.41Å; V549-M553 HydrophobicContact CG1-CE 4.08Å; V549-M553 WeakPolarHBondContact O-CG 3.25Å; V549-M553 PolarHBondContact O-N 3.45Å
550A81.3Confident85.4Confident70 Ų7036.3 Ų36.358%0.57920%0.199SC*.Hα-helixtrans-64.8-45.2174.900000111.9T548 I552 M553 D554T548-A550 PolarHBondContact O-N 3.09Å; A550-I552 VanDerWaalsContact C-N 3.26Å; A550-I552 PolarHBondContact O-N 3.13Å; A550-M553 PolarHBondContact O-N 3.09Å; A550-M553 VanDerWaalsContact O-N 3.15Å; A550-D554 PolarHBondContact O-N 2.9Å
551A81.9Confident85.6Confident11 Ų1136.3 Ų36.39%0.09120%0.199CC..Hα-helixtrans-63.4-32.117400000112.8P544 E546 T548 D554P544-A551 HydrophobicContact CB-CB 3.79Å; P544-A551 HydrophobicContact CG-CB 4.14Å; E546-A551 VanDerWaalsContact O-CB 3.3Å; E546-A551 WeakPolarHBondContact O-CB 3.24Å; T548-A551 PolarHBondContact O-N 2.88Å; T548-A551 PolarHBondContact OG1-N 2.89Å; T548-A551 VanDerWaalsContact OG1-N 3.14Å; A551-D554 PolarHBondContact O-N 2.89Å
552I82.4Confident85.7Confident14 Ų1436.3 Ų36.37%0.07220%0.199CC..Hα-helixtrans-70.6-33.8173.7-69.7170.4000111.9T242 E245 V246 L249 T548 V549 A550 D554 L555T242-I552 HydrophobicContact CG2-CG2 3.71Å; E245-I552 HydrophobicContact CB-CD1 4.3Å; E245-I552 HydrophobicContact CB-CG1 4.38Å; E245-I552 HydrophobicContact CB-CG2 4.21Å; V246-I552 HydrophobicContact CG2-CG2 3.66Å; L249-I552 HydrophobicContact CB-CD1 3.84Å; L249-I552 HydrophobicContact CD2-CD1 3.53Å; L249-I552 HydrophobicContact CG-CD1 4.29Å; T548-I552 WeakPolarHBondContact O-CG1 3.15Å; T548-I552 PolarHBondContact O-N 3.47Å; V549-I552 PolarHBondContact O-N 3.41Å; A550-I552 VanDerWaalsContact C-N 3.26Å; A550-I552 PolarHBondContact O-N 3.13Å; I552-D554 PolarHBondContact O-N 3.18Å; I552-L555 HydrophobicContact CB-CD1 4.44Å; I552-L555 HydrophobicContact CG2-CD1 3.87Å; I552-L555 VanDerWaalsContact O-CB 3.24Å; I552-L555 WeakPolarHBondContact O-CB 3.41Å; I552-L555 WeakPolarHBondContact O-CD1 3.47Å; I552-L555 WeakPolarHBondContact O-CG 3.32Å; I552-L555 PolarHBondContact O-N 3.25Å
553M84.7Confident85.8Confident54 Ų5437.2 Ų37.227%0.26620%0.203SC..Hα-helixtrans-65.4-27.6172.6-67.3-67.8167.800112.3I72 V549 A550 L555I72-M553 HydrophobicContact CG2-CE 3.82Å; I72-M553 HydrophobicContact CG2-CG 4.47Å; I72-M553 HydrophobicContact CG2-SD 3.91Å; V549-M553 HydrophobicContact CG1-CE 4.08Å; V549-M553 WeakPolarHBondContact O-CG 3.25Å; V549-M553 PolarHBondContact O-N 3.45Å; A550-M553 PolarHBondContact O-N 3.09Å; A550-M553 VanDerWaalsContact O-N 3.15Å; M553-L555 VanDerWaalsContact C-N 3.25Å; M553-L555 PolarHBondContact O-N 2.95Å
554D87.8Confident86.2Confident29 Ų2936.5 Ų36.516%0.15520%0.202CC..THydrogen-bonded Turntrans-73.3-10.1175-85.4-9.6000114.1K483 A550 A551 I552 K556 F557 Q558K483-D554 WeakPolarHBondContact CE-OD1 3.5Å; K483-D554 IonicContact NZ-OD1 3.47Å; K483-D554 PolarHBondContact NZ-OD1 3.39Å; K483-D554 IonicContact NZ-OD2 2.86Å; A550-D554 PolarHBondContact O-N 2.9Å; A551-D554 PolarHBondContact O-N 2.89Å; I552-D554 PolarHBondContact O-N 3.18Å; D554-K556 PolarHBondContact O-N 3.26Å; D554-F557 WeakPolarHBondContact O-CB 3.4Å; D554-F557 PolarHBondContact O-N 2.88Å; D554-Q558 PolarHBondContact O-N 3.35Å
555L88Confident87.2Confident11 Ų1134.6 Ų34.66%0.05819%0.189CC..Hα-helixtrans-53.2-38.6173.5-70173000112.2E245 P539 I552 M553 F557 Q558 N559E245-L555 HydrophobicContact CB-CD1 4.03Å; E245-L555 HydrophobicContact CG-CD1 3.88Å; P539-L555 HydrophobicContact CB-CD2 3.81Å; P539-L555 HydrophobicContact CG-CD2 4.37Å; I552-L555 HydrophobicContact CB-CD1 4.44Å; I552-L555 HydrophobicContact CG2-CD1 3.87Å; I552-L555 VanDerWaalsContact O-CB 3.24Å; I552-L555 WeakPolarHBondContact O-CB 3.41Å; I552-L555 WeakPolarHBondContact O-CD1 3.47Å; I552-L555 WeakPolarHBondContact O-CG 3.32Å; I552-L555 PolarHBondContact O-N 3.25Å; M553-L555 VanDerWaalsContact C-N 3.25Å; M553-L555 PolarHBondContact O-N 2.95Å; L555-F557 PolarHBondContact O-N 2.88Å; L555-Q558 WeakPolarHBondContact O-CB 3.39Å; L555-Q558 PolarHBondContact O-N 3.31Å; L555-N559 PolarHBondContact O-N 3.46Å; L555-N559 PolarHBondContact O-ND2 3.31Å; L555-N559 PolarHBondContact O-OD1 3.47Å
556K89.3Confident88.1Confident22 Ų2227.5 Ų27.510%0.09616%0.156CC..Hα-helixtrans-62.7-25.9179.476.5-172.6-173.1173.90112.7A75 T77 E80 D554 I560A75-K556 WeakPolarHBondContact O-CE 3.47Å; A75-K556 PolarHBondContact O-NZ 3.33Å; T77-K556 HydrophobicContact CG2-CB 4.19Å; T77-K556 HydrophobicContact CG2-CD 3.91Å; T77-K556 HydrophobicContact CG2-CG 3.76Å; E80-K556 VanDerWaalsContact CD-NZ 3.27Å; E80-K556 IonicContact OE1-NZ 2.72Å; E80-K556 PolarHBondContact OE1-NZ 3.29Å; E80-K556 WeakPolarHBondContact OE2-CE 3.26Å; E80-K556 IonicContact OE2-NZ 3.82Å; E80-K556 PolarHBondContact OE2-NZ 3.37Å; D554-K556 PolarHBondContact O-N 3.26Å; K556-I560 WeakPolarHBondContact O-CG1 3.41Å
557F92.6Very high89.2Confident1 Ų128.4 Ų28.40%0.00416%0.16CC..Hα-helixtrans-87.7-35.8174.9-59.8-62.4000112.4A75 T77 I479 A482 K483 D554 L555 N559 I560 V561A75-F557 HydrophobicContact CB-CE1 4.33Å; A75-F557 HydrophobicContact CB-CZ 3.73Å; T77-F557 HydrophobicContact CG2-CD1 4.11Å; T77-F557 HydrophobicContact CG2-CE1 3.69Å; T77-F557 HydrophobicContact CG2-CZ 4.31Å; I479-F557 HydrophobicContact CD1-CB 3.95Å; I479-F557 HydrophobicContact CG2-CB 4.22Å; A482-F557 HydrophobicContact CB-CB 3.89Å; A482-F557 HydrophobicContact CB-CD1 4.25Å; A482-F557 WeakPolarHBondContact O-CD1 3.26Å; K483-F557 HydrophobicContact CB-CE1 4.4Å; K483-F557 HydrophobicContact CD-CD2 4.25Å; K483-F557 HydrophobicContact CD-CE2 4.18Å; K483-F557 VanDerWaalsContact CE-CE2 3.48Å; K483-F557 HydrophobicContact CG-CD1 3.84Å; K483-F557 HydrophobicContact CG-CD2 3.81Å; K483-F557 HydrophobicContact CG-CE1 3.85Å; K483-F557 HydrophobicContact CG-CE2 3.82Å; K483-F557 HydrophobicContact CG-CG 3.84Å; K483-F557 HydrophobicContact CG-CZ 3.84Å; D554-F557 WeakPolarHBondContact O-CB 3.4Å; D554-F557 PolarHBondContact O-N 2.88Å; L555-F557 PolarHBondContact O-N 2.88Å; F557-N559 PolarHBondContact O-N 3.15Å; F557-I560 HydrophobicContact CD1-CD1 4.42Å; F557-I560 PolarHBondContact O-N 3.46Å; F557-V561 WeakPolarHBondContact O-CG2 3.46Å; F557-V561 PolarHBondContact O-N 3.45Å
558Q93.4Very high90.2Very high0 Ų028 Ų280%016%0.156CC..Hα-helixtrans-55.3-43.1169.5-62.817323.600111.4Y475 I479 G538 M542 D554 L555 I560 V561 V562Y475-Q558 HydrophobicContact CE2-CG 4.18Å; Y475-Q558 PolarHBondContact OH-NE2 3.17Å; I479-Q558 HydrophobicContact CD1-CB 4.42Å; I479-Q558 HydrophobicContact CD1-CG 3.65Å; G538-Q558 VanDerWaalsContact C-OE1 3.27Å; G538-Q558 PolarHBondContact O-OE1 3.11Å; M542-Q558 HydrophobicContact CB-CB 4.29Å; M542-Q558 HydrophobicContact CB-CG 3.89Å; M542-Q558 HydrophobicContact CE-CG 4.34Å; M542-Q558 VanDerWaalsContact O-CD 3.26Å; M542-Q558 PolarHBondContact O-NE2 3.01Å; M542-Q558 PolarHBondContact O-OE1 3.29Å; M542-Q558 HydrophobicContact SD-CB 4.13Å; M542-Q558 HydrophobicContact SD-CG 4.23Å; D554-Q558 PolarHBondContact O-N 3.35Å; L555-Q558 WeakPolarHBondContact O-CB 3.39Å; L555-Q558 PolarHBondContact O-N 3.31Å; Q558-I560 PolarHBondContact O-N 3.41Å; Q558-V561 PolarHBondContact O-N 2.77Å; Q558-V562 PolarHBondContact O-N 3.2Å
559N93.7Very high90.9Very high4 Ų427.1 Ų27.12%0.02115%0.148CC..Hα-helixtrans-59.4-46.3177.4-61.1-16.7000111G534 L555 F557 V561 V562 E563G534-N559 PolarHBondContact O-OD1 3.27Å; G534-N559 VanDerWaalsContact O-OD1 3.11Å; L555-N559 PolarHBondContact O-N 3.46Å; L555-N559 PolarHBondContact O-ND2 3.31Å; L555-N559 PolarHBondContact O-OD1 3.47Å; F557-N559 PolarHBondContact O-N 3.15Å; N559-V561 PolarHBondContact O-N 3.05Å; N559-V562 PolarHBondContact O-N 3.23Å; N559-E563 WeakPolarHBondContact O-CB 3.26Å; N559-E563 WeakPolarHBondContact O-CG 3.46Å; N559-E563 PolarHBondContact O-N 3.08Å
560I93.3Very high91.4Very high8 Ų830.8 Ų30.84%0.04116%0.16CC..Hα-helixtrans-62.7-39.3176.6-70.7169.6000112.2T77 A482 K556 F557 Q558 V562 E563 I564T77-I560 HydrophobicContact CG2-CD1 3.46Å; T77-I560 VanDerWaalsContact CG2-CD1 3.46Å; A482-I560 HydrophobicContact CB-CB 4.33Å; A482-I560 HydrophobicContact CB-CG2 4.05Å; K556-I560 WeakPolarHBondContact O-CG1 3.41Å; F557-I560 HydrophobicContact CD1-CD1 4.42Å; F557-I560 PolarHBondContact O-N 3.46Å; Q558-I560 PolarHBondContact O-N 3.41Å; I560-V562 VanDerWaalsContact C-N 3.33Å; I560-V562 PolarHBondContact O-N 3.01Å; I560-E563 PolarHBondContact O-N 3.15Å; I560-I564 HydrophobicContact CG2-CD1 3.86Å; I560-I564 HydrophobicContact CG2-CG1 4.49Å; I560-I564 VanDerWaalsContact O-CG1 3.32Å; I560-I564 WeakPolarHBondContact O-CG1 3.19Å; I560-I564 PolarHBondContact O-N 2.8Å
561V96.2Very high91.8Very high0 Ų031.2 Ų31.20%015%0.149CC..Hα-helixtrans-60.5-45.5174.2177.10000110.3M470 F478 A482 I494 M542 F557 Q558 N559 L565M470-V561 HydrophobicContact CE-CG1 3.76Å; F478-V561 HydrophobicContact CB-CG1 4.39Å; F478-V561 HydrophobicContact CD1-CG1 4.08Å; F478-V561 VanDerWaalsContact O-CG2 3.25Å; F478-V561 WeakPolarHBondContact O-CG2 3.5Å; A482-V561 HydrophobicContact CB-CG2 3.74Å; I494-V561 HydrophobicContact CD1-CG1 4.28Å; I494-V561 HydrophobicContact CD1-CG2 4.39Å; M542-V561 HydrophobicContact CE-CG2 4.47Å; M542-V561 HydrophobicContact SD-CB 3.88Å; M542-V561 HydrophobicContact SD-CG1 3.85Å; M542-V561 HydrophobicContact SD-CG2 4.3Å; F557-V561 WeakPolarHBondContact O-CG2 3.46Å; F557-V561 PolarHBondContact O-N 3.45Å; Q558-V561 PolarHBondContact O-N 2.77Å; N559-V561 PolarHBondContact O-N 3.05Å; V561-L565 HydrophobicContact CG1-CD1 3.88Å; V561-L565 HydrophobicContact CG1-CG 4.39Å; V561-L565 VanDerWaalsContact O-CB 3.29Å; V561-L565 WeakPolarHBondContact O-CB 3.45Å; V561-L565 WeakPolarHBondContact O-CG 3.39Å; V561-L565 PolarHBondContact O-N 2.96Å
562V96.7Very high92.3Very high0 Ų030.7 Ų30.70%015%0.145CC..Hα-helixtrans-68.7-36.7178.3174.70000112.4F537 L541 Q558 N559 I560 L565 I566F537-V562 HydrophobicContact CB-CG1 3.86Å; L541-V562 HydrophobicContact CD1-CG2 4.24Å; Q558-V562 PolarHBondContact O-N 3.2Å; N559-V562 PolarHBondContact O-N 3.23Å; I560-V562 VanDerWaalsContact C-N 3.33Å; I560-V562 PolarHBondContact O-N 3.01Å; V562-L565 PolarHBondContact O-N 3.3Å; V562-I566 HydrophobicContact CG1-CD1 3.94Å; V562-I566 HydrophobicContact CG1-CG1 4.47Å; V562-I566 VanDerWaalsContact O-CG1 3.3Å; V562-I566 WeakPolarHBondContact O-CG1 3.3Å; V562-I566 PolarHBondContact O-N 2.91Å
563E95.7Very high92.7Very high21 Ų2132.7 Ų32.710%0.09815%0.153CC..Hα-helixtrans-59.9-52174.4-71.1159.2-154.200110.8R238 V530 N559 I560 L565 I566 E567R238-E563 IonicContact CZ-OE1 3.27Å; R238-E563 IonicContact CZ-OE2 3.13Å; R238-E563 IonicContact NE-OE1 2.71Å; R238-E563 PolarHBondContact NE-OE1 3.48Å; R238-E563 IonicContact NH2-OE1 2.71Å; R238-E563 PolarHBondContact NH2-OE1 3.3Å; R238-E563 IonicContact NH2-OE2 3.42Å; R238-E563 PolarHBondContact NH2-OE2 2.9Å; V530-E563 HydrophobicContact CG1-CB 3.91Å; V530-E563 HydrophobicContact CG1-CG 4.07Å; N559-E563 WeakPolarHBondContact O-CB 3.26Å; N559-E563 WeakPolarHBondContact O-CG 3.46Å; N559-E563 PolarHBondContact O-N 3.08Å; I560-E563 PolarHBondContact O-N 3.15Å; E563-L565 VanDerWaalsContact C-N 3.3Å; E563-L565 PolarHBondContact O-N 3.09Å; E563-I566 PolarHBondContact O-N 3.11Å; E563-E567 WeakPolarHBondContact O-CG 3.25Å; E563-E567 PolarHBondContact O-N 3.32Å
564I95.3Very high92.5Very high18 Ų1833.1 Ų33.19%0.09217%0.171CC..Hα-helixtrans-59.7-40.9175.6-65.8166.4000111.2R490 I494 I560 I566 E567 Q568R490-I564 HydrophobicContact CB-CD1 4.1Å; I494-I564 HydrophobicContact CD1-CB 4.13Å; I494-I564 HydrophobicContact CD1-CD1 3.76Å; I494-I564 HydrophobicContact CD1-CG2 3.95Å; I560-I564 HydrophobicContact CG2-CD1 3.86Å; I560-I564 HydrophobicContact CG2-CG1 4.49Å; I560-I564 VanDerWaalsContact O-CG1 3.32Å; I560-I564 WeakPolarHBondContact O-CG1 3.19Å; I560-I564 PolarHBondContact O-N 2.8Å; I564-I566 VanDerWaalsContact C-N 3.31Å; I564-I566 PolarHBondContact O-N 3.38Å; I564-E567 PolarHBondContact O-N 3.1Å; I564-Q568 HydrophobicContact CG2-CG 4.33Å; I564-Q568 VanDerWaalsContact O-CB 3.3Å; I564-Q568 WeakPolarHBondContact O-CB 3.18Å; I564-Q568 PolarHBondContact O-N 3.47Å
565L96.9Very high92.3Very high0 Ų036.1 Ų36.10%019%0.187CC..Hα-helixtrans-63.9-32178.6-82173.7000113.5M470 I494 V498 L513 V561 V562 E563 H569 I572 F573M470-L565 HydrophobicContact CE-CD1 3.75Å; M470-L565 HydrophobicContact SD-CD1 3.9Å; I494-L565 HydrophobicContact CG2-CD2 3.62Å; I494-L565 HydrophobicContact CG2-CG 3.93Å; V498-L565 HydrophobicContact CG2-CD2 3.56Å; L513-L565 HydrophobicContact CD1-CB 3.72Å; L513-L565 HydrophobicContact CD1-CD1 4.29Å; L513-L565 HydrophobicContact CD1-CD2 4Å; L513-L565 HydrophobicContact CD1-CG 4.23Å; L513-L565 HydrophobicContact CD2-CB 3.78Å; L513-L565 HydrophobicContact CG-CB 4.4Å; V561-L565 HydrophobicContact CG1-CD1 3.88Å; V561-L565 HydrophobicContact CG1-CG 4.39Å; V561-L565 VanDerWaalsContact O-CB 3.29Å; V561-L565 WeakPolarHBondContact O-CB 3.45Å; V561-L565 WeakPolarHBondContact O-CG 3.39Å; V561-L565 PolarHBondContact O-N 2.96Å; V562-L565 PolarHBondContact O-N 3.3Å; E563-L565 VanDerWaalsContact C-N 3.3Å; E563-L565 PolarHBondContact O-N 3.09Å; L565-H569 WeakPolarHBondContact O-CA 3.42Å; L565-H569 VanDerWaalsContact O-CB 3.32Å; L565-H569 WeakPolarHBondContact O-CB 3.42Å; L565-H569 PolarHBondContact O-N 2.9Å; L565-I572 HydrophobicContact CD2-CD1 4.13Å; L565-I572 HydrophobicContact CD2-CG2 4.36Å; L565-F573 HydrophobicContact CD2-CE2 4.47Å
566I97.1Very high91.9Very high4 Ų441.5 Ų41.52%0.02122%0.22CC..Hα-helixtrans-76.8-49.1174.4-67.7166.4000110.1L513 L516 A517 V530 L533 V562 E563 I564 Q568 H569L513-I566 HydrophobicContact CD2-CG1 3.79Å; L516-I566 HydrophobicContact CB-CD1 3.89Å; L516-I566 HydrophobicContact CB-CG1 3.96Å; L516-I566 HydrophobicContact CD1-CD1 4.1Å; L516-I566 HydrophobicContact CD1-CG1 4.48Å; A517-I566 HydrophobicContact CB-CG2 4.06Å; V530-I566 HydrophobicContact CG1-CB 4.2Å; V530-I566 HydrophobicContact CG1-CG2 4.23Å; V530-I566 HydrophobicContact CG2-CG2 4.29Å; L533-I566 HydrophobicContact CB-CD1 3.95Å; V562-I566 HydrophobicContact CG1-CD1 3.94Å; V562-I566 HydrophobicContact CG1-CG1 4.47Å; V562-I566 VanDerWaalsContact O-CG1 3.3Å; V562-I566 WeakPolarHBondContact O-CG1 3.3Å; V562-I566 PolarHBondContact O-N 2.91Å; E563-I566 PolarHBondContact O-N 3.11Å; I564-I566 VanDerWaalsContact C-N 3.31Å; I564-I566 PolarHBondContact O-N 3.38Å; I566-Q568 VanDerWaalsContact C-N 3.26Å; I566-Q568 PolarHBondContact O-N 2.71Å; I566-H569 PolarHBondContact O-N 3.38Å; I566-H569 PolarHBondContact O-ND1 2.94Å
567E94.6Very high91.3Very high122 Ų12241.8 Ų41.857%0.5722%0.224SC*.Hα-helixtrans-64.5-27.3-177.4-72.7178.1172.800113.9V530 E563 I564V530-E567 HydrophobicContact CG1-CG 3.9Å; V530-E567 HydrophobicContact CG2-CG 4.23Å; E563-E567 WeakPolarHBondContact O-CG 3.25Å; E563-E567 PolarHBondContact O-N 3.32Å; I564-E567 PolarHBondContact O-N 3.1Å
568Q93.1Very high90.1Very high72 Ų7243.6 Ų43.634%0.33624%0.243SC..THydrogen-bonded Turntrans-11614.4-174.9-57.9-70.4-89.200112.7S491 I564 I566 E570 K571 I572S491-Q568 PolarHBondContact OG-OE1 2.95Å; I564-Q568 HydrophobicContact CG2-CG 4.33Å; I564-Q568 VanDerWaalsContact O-CB 3.3Å; I564-Q568 WeakPolarHBondContact O-CB 3.18Å; I564-Q568 PolarHBondContact O-N 3.47Å; I566-Q568 VanDerWaalsContact C-N 3.26Å; I566-Q568 PolarHBondContact O-N 2.71Å; Q568-E570 VanDerWaalsContact C-N 3.33Å; Q568-E570 PolarHBondContact O-N 2.91Å; Q568-K571 PolarHBondContact O-N 3.25Å; Q568-I572 HydrophobicContact CB-CD1 3.67Å; Q568-I572 HydrophobicContact CB-CG1 4.01Å; Q568-I572 WeakPolarHBondContact O-CB 3.28Å; Q568-I572 WeakPolarHBondContact O-CG1 3.46Å; Q568-I572 PolarHBondContact O-N 2.77Å
569H93.9Very high88Confident32 Ų3250.8 Ų50.815%0.14829%0.29CS..Hα-helixtrans-56.2-41.3-171.876.7-81.2000113.4L513 A517 L565 I566 K571 I572 F573L513-H569 HydrophobicContact CB-CB 4.25Å; A517-H569 WeakPolarHBondContact CB-CE1 3.34Å; A517-H569 WeakPolarHBondContact CB-ND1 3.32Å; L565-H569 WeakPolarHBondContact O-CA 3.42Å; L565-H569 VanDerWaalsContact O-CB 3.32Å; L565-H569 WeakPolarHBondContact O-CB 3.42Å; L565-H569 PolarHBondContact O-N 2.9Å; I566-H569 PolarHBondContact O-N 3.38Å; I566-H569 PolarHBondContact O-ND1 2.94Å; H569-K571 PolarHBondContact O-N 3.21Å; H569-I572 PolarHBondContact O-N 3.25Å; H569-F573 HydrophobicContact CB-CD2 4.48Å; H569-F573 WeakPolarHBondContact O-CD2 3.22Å; H569-F573 PolarHBondContact O-N 3.23Å
570E91.6Very high85.8Confident154 Ų15454.3 Ų54.372%0.7232%0.315SS*.Hα-helixtrans-58.8-49.1178.6-61.4-168.6142.400111.7Q568 G574Q568-E570 VanDerWaalsContact C-N 3.33Å; Q568-E570 PolarHBondContact O-N 2.91Å; E570-G574 VanDerWaalsContact O-CA 3.28Å; E570-G574 WeakPolarHBondContact O-CA 3.23Å; E570-G574 PolarHBondContact O-N 2.98Å
571K90.7Very high83Confident78 Ų7859.4 Ų59.434%0.33935%0.351SS..Hα-helixtrans-66.7-46.3177.3-176.6-171.3170.8-163.10111.7Q568 H569 F573 D575Q568-K571 PolarHBondContact O-N 3.25Å; H569-K571 PolarHBondContact O-N 3.21Å; K571-F573 VanDerWaalsContact C-N 3.35Å; K571-F573 PolarHBondContact O-N 3.4Å; K571-D575 WeakPolarHBondContact O-CB 3.21Å; K571-D575 PolarHBondContact O-N 3.31Å
572I92.2Very high80.5Confident0 Ų064.1 Ų64.10%038%0.382CS..Hα-helixtrans-66.4-36.9-172.4-71.5177.1000111.9I494 H495 V498 H499 L565 Q568 H569I494-I572 HydrophobicContact CG2-CD1 4.31Å; H495-I572 HydrophobicContact CB-CG1 4.13Å; H495-I572 PolarHBondContact CD2-O 2.58Å; H495-I572 VanDerWaalsContact CD2-O 3.31Å; H495-I572 PolarHBondContact NE2-O 2.69Å; V498-I572 HydrophobicContact CB-CG2 3.92Å; V498-I572 HydrophobicContact CG1-CG2 3.84Å; V498-I572 HydrophobicContact CG2-CG2 3.89Å; H499-I572 PolarHBondContact NE2-O 3.35Å; L565-I572 HydrophobicContact CD2-CD1 4.13Å; L565-I572 HydrophobicContact CD2-CG2 4.36Å; Q568-I572 HydrophobicContact CB-CD1 3.67Å; Q568-I572 HydrophobicContact CB-CG1 4.01Å; Q568-I572 WeakPolarHBondContact O-CB 3.28Å; Q568-I572 WeakPolarHBondContact O-CG1 3.46Å; Q568-I572 PolarHBondContact O-N 2.77Å; H569-I572 PolarHBondContact O-N 3.25Å
573F89.9Confident77.5Confident57 Ų5766.8 Ų66.825%0.2541%0.409CS..Hα-helixtrans-103.6-18.5-177.2-66.3-90.1000114.1V498 R506 L509 L513 L565 H569 K571V498-F573 HydrophobicContact CG1-CD1 4.23Å; V498-F573 HydrophobicContact CG1-CE1 3.5Å; V498-F573 HydrophobicContact CG1-CE2 4.28Å; V498-F573 HydrophobicContact CG1-CZ 3.52Å; V498-F573 HydrophobicContact CG2-CZ 4.42Å; R506-F573 HydrophobicContact CG-CD1 4.33Å; R506-F573 HydrophobicContact CG-CE1 4.03Å; R506-F573 WeakPolarHBondContact O-CE1 3.39Å; L509-F573 HydrophobicContact CB-CE1 4.5Å; L509-F573 HydrophobicContact CB-CZ 4.43Å; L509-F573 HydrophobicContact CD2-CZ 4.03Å; L509-F573 HydrophobicContact CG-CE1 4.46Å; L509-F573 HydrophobicContact CG-CZ 3.93Å; L513-F573 HydrophobicContact CD1-CE2 3.44Å; L513-F573 VanDerWaalsContact CD1-CE2 3.44Å; L513-F573 HydrophobicContact CD1-CZ 3.62Å; L565-F573 HydrophobicContact CD2-CE2 4.47Å; H569-F573 HydrophobicContact CB-CD2 4.48Å; H569-F573 WeakPolarHBondContact O-CD2 3.22Å; H569-F573 PolarHBondContact O-N 3.23Å; K571-F573 VanDerWaalsContact C-N 3.35Å; K571-F573 PolarHBondContact O-N 3.4Å
574G81.3Confident74.9Confident62 Ų6274.7 Ų74.764%0.63945%0.451SS*.Hα-helixtrans-82.7-43.317300000113.6E570E570-G574 VanDerWaalsContact O-CA 3.28Å; E570-G574 WeakPolarHBondContact O-CA 3.23Å; E570-G574 PolarHBondContact O-N 2.98Å
575D82.6Confident71.7Confident93 Ų9379 Ų7950%0.49748%0.483SS..SBendtrans-96.5145.3-177.4-66.1-41000112.9H495 H499 K571H495-D575 PolarHBondContact NE2-O 2.72Å; H499-D575 PolarHBondContact NE2-O 3.09Å; K571-D575 WeakPolarHBondContact O-CB 3.21Å; K571-D575 PolarHBondContact O-N 3.31Å
576V79.8Confident68.5Low123 Ų12383 Ų8375%0.74552%0.515SS*.PPolyproline II helixtrans-78135.8164.6-178.70000108.8G578V576-G578 PolarHBondContact O-N 3.33Å
577P77.6Confident65.5Low28 Ų2889.1 Ų89.118%0.18256%0.556CS.*PPolyproline II helixtrans-57.6131.9176.5-23.332.2000112.2H499H499-P577 HydrophobicContact CB-CG 4.04Å
578G67.1Low62.5Low40 Ų4090 Ų9041%0.41257%0.569SS.*PPolyproline II helixtrans-63.8157.6175.600000112.5V576 S580V576-G578 PolarHBondContact O-N 3.33Å; G578-S580 PolarHBondContact O-N 3.41Å
579P49.1Very low59.6Low151 Ų15197.4 Ų97.498%0.98160%0.595SS**SBendtrans-75.370.6-175.931.8-36.5000112.7
580S46.7Very low57Low78 Ų78104.2 Ų104.255%0.54563%0.626SS.*  trans-134103170.948.10000110.2G578G578-S580 PolarHBondContact O-N 3.41Å
581S35.8Very low53.9Low114 Ų114102.8 Ų102.880%0.79763%0.633SS**  trans-75.4129.7-178.443.70000111.8G583S581-G583 VanDerWaalsContact C-N 3.31Å; S581-G583 PolarHBondContact O-N 3.38Å
582P43Very low51.5Low100 Ų100109.1 Ų109.165%0.64966%0.661SS**  trans-74.784.917130.3-33.1000109.7L584P582-L584 PolarHBondContact O-N 3.37Å
583G33.9Very low48.4Very low55 Ų55118.9 Ų118.957%0.56770%0.703SS**  trans-70105.6177.100000112.1S581 S585S581-G583 VanDerWaalsContact C-N 3.31Å; S581-G583 PolarHBondContact O-N 3.38Å; G583-S585 PolarHBondContact O-N 2.86Å; G583-S585 PolarHBondContact O-OG 3.4Å
584L40.8Very low45.6Very low188 Ų188124.3 Ų124.398%0.98473%0.734SS**  trans-52106.4170.4-80.1164.2000110.2P582P582-L584 PolarHBondContact O-N 3.37Å
585S29.1Very low42.9Very low108 Ų108126.9 Ų126.976%0.75574%0.742SS**  trans-122.8124.8-172.6-60.80000110.2G583G583-S585 PolarHBondContact O-N 2.86Å; G583-S585 PolarHBondContact O-OG 3.4Å
586A29.4Very low40.4Very low83 Ų83128.8 Ų128.869%0.68676%0.757SS**  trans-65.5150.1-175.800000112.9T588A586-T588 PolarHBondContact O-N 3.31Å; A586-T588 VanDerWaalsContact O-N 3.08Å; A586-T588 PolarHBondContact O-OG1 2.9Å
587P33.2Very low38Very low134 Ų134133.1 Ų133.187%0.8776%0.76SS**  trans-68.9108.8-169.727.1-35.5000112.5
588T31.2Very low35.7Very low139 Ų139140.9 Ų140.985%0.85379%0.794SS**  trans-95.5107.4178.8-57.30000111.5A586 Q590A586-T588 PolarHBondContact O-N 3.31Å; A586-T588 VanDerWaalsContact O-N 3.08Å; A586-T588 PolarHBondContact O-OG1 2.9Å; T588-Q590 PolarHBondContact O-N 3.32Å
589R32.9Very low33.8Very low229 Ų229145.3 Ų145.386%0.86481%0.808SS**  trans-6.2110.4164.7-167.6178.1-170.1173.12.6117.5
590Q38.2Very low32.8Very low175 Ų175149 Ų14982%0.81880%0.802SS**  trans22.8125.8153.3-66-176.6-2.900119.5T588T588-Q590 PolarHBondContact O-N 3.32Å
591S27.4Very low31.8Very low124 Ų124151.1 Ų151.187%0.86781%0.814SS**  trans-139.7129.9147.6-81.70000110.6K593S591-K593 PolarHBondContact O-N 3.03Å
592K39.2Very low31.5Very low211 Ų211153.1 Ų153.192%0.91782%0.815SS**  trans-72.8117.4-176.2-66.3177.6179.6177.60110.3
593K27.5Very low30.8Very low204 Ų204153.1 Ų153.189%0.88782%0.823SS**  trans-129.9132.2157.9-110.6-179.6177179.30108.5S591 S595S591-K593 PolarHBondContact O-N 3.03Å; K593-S595 PolarHBondContact O-N 3.33Å
594L31Very low30.6Very low172 Ų172156.6 Ų156.690%0.90183%0.833SS**  trans-67.4125.7-178.4-68.4118.7000109.6V596L594-V596 PolarHBondContact O-N 3.44Å
595S26.4Very low30.2Very low115 Ų115157.1 Ų157.180%0.80482%0.824SS**  trans-69.7118.5167.241.20000108.9K593 R597K593-S595 PolarHBondContact O-N 3.33Å; S595-R597 PolarHBondContact O-N 3.42Å
596V29.2Very low30.1Very low134 Ų134158.2 Ų158.281%0.81282%0.821SS**  trans-68.1106.4171.5175.90000107.4L594 Q598L594-V596 PolarHBondContact O-N 3.44Å; V596-Q598 PolarHBondContact O-N 3.01Å
597R28.3Very low30.1Very low214 Ų214158.9 Ų158.981%0.80882%0.819SS**  trans-54.8125.8163.1-88.8-176.2165.2179.4-5.9107.8S595 N599S595-R597 PolarHBondContact O-N 3.42Å; R597-N599 PolarHBondContact O-N 3.07Å
598Q30.3Very low29.8Very low191 Ų191161.5 Ų161.589%0.89382%0.816SS**  trans-69.981.6161.6-77.3-170.7-14.400108.6V596 R600V596-Q598 PolarHBondContact O-N 3.01Å; Q598-R600 VanDerWaalsContact C-N 3.3Å; Q598-R600 PolarHBondContact O-N 3.39Å
599N26.4Very low29.7Very low132 Ų132163.2 Ų163.271%0.70681%0.812SS**  trans-63.496.4162.5-71.1-2.6000107.2R597R597-N599 PolarHBondContact O-N 3.07Å
600R28.2Very low29.5Very low229 Ų229158.3 Ų158.386%0.86481%0.807SS**PPolyproline II helixtrans-55.9135.9150.8-79.5-172.5172.9-166.2-1.5106.7Q598 L602Q598-R600 VanDerWaalsContact C-N 3.3Å; Q598-R600 PolarHBondContact O-N 3.39Å; R600-L602 PolarHBondContact O-N 3.47Å
601P26.3Very low28.9Very low122 Ų122155.8 Ų155.879%0.79280%0.799SS**PPolyproline II helixtrans-63.3123.3179.825.9-33000108.9A603P601-A603 PolarHBondContact O-N 2.83Å
602L30Very low29Very low157 Ų157157.1 Ų157.182%0.82280%0.796SS**PPolyproline II helixtrans-54.2131.5158.5-73.4167.4000107.2R600 V604R600-L602 PolarHBondContact O-N 3.47Å; L602-V604 VanDerWaalsContact C-N 3.26Å; L602-V604 PolarHBondContact O-N 3.47Å
603A28.6Very low28.5Very low99 Ų99155.5 Ų155.582%0.81879%0.792SS**  trans-69.585.717700000109.4P601 Y605P601-A603 PolarHBondContact O-N 2.83Å; A603-Y605 PolarHBondContact O-N 2.9Å
604V29Very low28.4Very low129 Ų129152 Ų15278%0.78279%0.788SS**  trans-69.783.1172.9-177.70000107.9L602 N606L602-V604 VanDerWaalsContact C-N 3.26Å; L602-V604 PolarHBondContact O-N 3.47Å; V604-N606 VanDerWaalsContact C-N 3.34Å; V604-N606 PolarHBondContact O-N 3.02Å
605Y31.4Very low28.2Very low198 Ų198150.2 Ų150.278%0.77678%0.783SS**  trans-69.496173-163.6-84.1000108.5A603 P607A603-Y605 PolarHBondContact O-N 2.9Å; Y605-P607 WeakPolarHBondContact O-CD 3.38Å
606N27.6Very low28.2Very low131 Ų131149.5 Ų149.570%0.70178%0.778SS**  trans-72.3109.3178.2-169.216.1000108.4V604 K608V604-N606 VanDerWaalsContact C-N 3.34Å; V604-N606 PolarHBondContact O-N 3.02Å; N606-K608 PolarHBondContact O-N 3.04Å; N606-K608 VanDerWaalsContact O-N 3.08Å
607P29.8Very low28.5Very low98 Ų98149 Ų14964%0.63678%0.778SS**  trans-65.5115.9-178.327.8-33.2000108.6Y605 K609Y605-P607 WeakPolarHBondContact O-CD 3.38Å; P607-K609 PolarHBondContact O-N 3.45Å; P607-K609 VanDerWaalsContact O-N 3.11Å
608K27.6Very low28.3Very low188 Ų188146 Ų14682%0.81778%0.783SS**  trans-55.6121.3174.6-71.9-176.5177.6-179.70108.4N606 V610N606-K608 PolarHBondContact O-N 3.04Å; N606-K608 VanDerWaalsContact O-N 3.08Å; K608-V610 PolarHBondContact O-N 3.36Å
609K28.6Very low28.2Very low176 Ų176142.2 Ų142.277%0.76578%0.778SS**  trans-57.2124.4168.2-73.6-174.5174.8-174.30108.6P607 D611P607-K609 PolarHBondContact O-N 3.45Å; P607-K609 VanDerWaalsContact O-N 3.11Å; K609-D611 PolarHBondContact O-N 3.08Å
610V27.9Very low29.2Very low125 Ų125141 Ų14176%0.75878%0.778SS**  trans-84.694.7158.5179.90000105.3K608 L612K608-V610 PolarHBondContact O-N 3.36Å; V610-L612 VanDerWaalsContact C-N 3.26Å; V610-L612 PolarHBondContact O-N 3.43Å
611D26.5Very low29.1Very low123 Ų123137.2 Ų137.266%0.65877%0.774SS**  trans-72.686.8175.3-76.2-29.8000108.8K609 Q613K609-D611 PolarHBondContact O-N 3.08Å; D611-Q613 VanDerWaalsContact C-N 3.33Å; D611-Q613 PolarHBondContact O-N 3.45Å
612L28.9Very low29.2Very low151 Ų151137.6 Ų137.679%0.79177%0.774SS**  trans-7485.4177.1-157.579.5000109.1V610 T614V610-L612 VanDerWaalsContact C-N 3.26Å; V610-L612 PolarHBondContact O-N 3.43Å; L612-T614 PolarHBondContact O-N 3.36Å; L612-T614 VanDerWaalsContact O-N 3.09Å
613Q28.5Very low29.1Very low178 Ų178133.5 Ų133.583%0.83277%0.77SS**  trans-67.8107.9-179.8-75.6-168.4-12.900111.4D611 V615D611-Q613 VanDerWaalsContact C-N 3.33Å; D611-Q613 PolarHBondContact O-N 3.45Å; Q613-V615 PolarHBondContact O-N 2.93Å
614T26.6Very low29.1Very low131 Ų131133.7 Ų133.780%0.80477%0.765SS**  trans-66.1118.7173.1-39.10000110.4L612L612-T614 PolarHBondContact O-N 3.36Å; L612-T614 VanDerWaalsContact O-N 3.09Å
615V25.2Very low29.1Very low134 Ų134134.4 Ų134.481%0.81277%0.765SS**  trans-82.8138.9171.5179.80000109.7Q613Q613-V615 PolarHBondContact O-N 2.93Å
616S26.7Very low29.1Very low100 Ų100129 Ų12970%0.69976%0.756SS**  trans-136.8145.5167.3-67.90000109
617P35.5Very low29.2Very low124 Ų124130.2 Ų130.281%0.80576%0.762SS**  trans-96.2140.2-156.435.2-35.4000114.9
618T25.5Very low29.2Very low149 Ų149134.2 Ų134.291%0.91477%0.772SS**  trans-146.1141152.633.10000109.4
619S28.5Very low29.2Very low113 Ų113129 Ų12979%0.7977%0.765SS**  trans-116-175.5-178.852.50000110.3
620P46.2Very low29.2Very low107 Ų107125.7 Ų125.770%0.69576%0.764SS**  -121169.9-50.136.3-24.6000111.6
621D26.3Very low29.3Very low148 Ų148127.5 Ų127.579%0.79177%0.768SS**  -178.4149.5123.7-106.7-13.6000117
622V29.4Very low29.3Very low131 Ų131124.8 Ų124.879%0.79477%0.769SS**  trans30.3113.3146.9-175.10000121.7
623G27Very low29.4Very low71 Ų71123 Ų12373%0.73277%0.769SS**  trans82163.5135.400000119
624S28.5Very low29.5Very low102 Ų102121.8 Ų121.871%0.71377%0.768SS**  cis-166.4142.3-22.3-151.30000109.4
625N28.2Very low29.5Very low145 Ų145124.6 Ų124.678%0.77577%0.772SS**  trans66.6154.1164-62.131.7000115.8
626S31.6Very low29.7Very low85 Ų85123.4 Ų123.459%0.59477%0.77SS**  cis-167.9139.7-10.138.90000110.3
627D29.7Very low29.7Very low155 Ų155125.8 Ų125.883%0.82978%0.78SS**  trans62.2160.9143.8-51.6-29.9000119.4
628E31.6Very low29.2Very low182 Ų182125.3 Ų125.385%0.8578%0.78SS**  cis-147.4159.610.8-150-168.7167.100113.9
629A27.6Very low29.4Very low80 Ų80124.6 Ų124.666%0.66178%0.781SS**  trans33.5119.4150.900000123.4
630S27Very low29.3Very low106 Ų106127.6 Ų127.674%0.74178%0.782SS**  179.1111.9100.8-170.70000109.2
631L30.5Very low28.4Very low163 Ų163127.4 Ų127.485%0.85378%0.783SS**  45.2122.486.8-57.6177.1000114
632G26.8Very low28.3Very low66 Ų66126.3 Ų126.368%0.6878%0.782SS**  cis164.5173.1-6.700000113.7
633S30.7Very low28.2Very low112 Ų112124.4 Ų124.478%0.78378%0.78SS**  trans114.6122.7176.2-53.80000112.4
634N31.1Very low28.2Very low153 Ų153127.1 Ų127.182%0.81879%0.788SS**  73.5132.254.4-61.45.1000111.3
635E26.6Very low28Very low190 Ų190125.8 Ų125.889%0.88879%0.79SS**  cis-133.2166.614.6-71.7-171.1109.600115.3
636S28Very low27.8Very low109 Ų109125.3 Ų125.376%0.76279%0.793SS**  trans-69.2159.9168.2-43.40000113.5
637V26.8Very low28.3Very low151 Ų151126.7 Ų126.792%0.91580%0.8SS**  -162.2145114.4-96.90000111.5
638S26.6Very low29Very low114 Ų114124.1 Ų124.180%0.79779%0.792SS**  trans-94.2161176.5-55.20000112.2
639S28.4Very low28.7Very low133 Ų133122.5 Ų122.593%0.9378%0.784SS**  trans-151.6140149.6-78.90000109.6
640Q26.8Very low28.7Very low177 Ų177126.2 Ų126.283%0.82779%0.785SS**  trans-152.4148-163.7-162.5-169.649.500110.8
641S26.9Very low28.7Very low102 Ų102125.4 Ų125.471%0.71379%0.785SS**  trans69.5158.3172.6-49.20000114.5
642T25.7Very low28.5Very low126 Ų126123.4 Ų123.477%0.77378%0.775SS**  cis-129.6146.917.536.70000111.5
643A26.6Very low28.6Very low91 Ų91128.3 Ų128.375%0.75278%0.78SS**  58.2138.485.500000114.3
644S25.8Very low28.4Very low128 Ų128126 Ų12690%0.89577%0.774SS**  cis-162.81734.751.90000110.7
645G24.9Very low28.1Very low73 Ų73129.9 Ų129.975%0.75378%0.777SS**  trans146115.4162.400000117.5
646T24.4Very low28.1Very low135 Ų135127.1 Ų127.183%0.82877%0.768SS**  trans-147.9171.3167.355.90000108.2
647P42.4Very low28Very low114 Ų114129.5 Ų129.574%0.7477%0.771SS**  cis-120.7-130.7-34.827.8-3.3000106.9
648P44.6Very low28.1Very low102 Ų102126.8 Ų126.866%0.66277%0.765SS**  cis-139.9-171.9-20.940-19.3000116.5
649E25.3Very low28.1Very low148 Ų148125.8 Ų125.869%0.69276%0.758SS**  trans71.5153.8156.3-62.1-155.2154.400119.5
650K27.2Very low28Very low157 Ų157127.2 Ų127.268%0.68375%0.754SS**  cis-162.3142.1-11.4-119.5175.1-171.4141.50111.4
651A26.4Very low27.9Very low90 Ų90122.9 Ų122.974%0.74474%0.743SS**  trans56.8174.8142.200000119.3
652N27.6Very low27.9Very low120 Ų120124.7 Ų124.764%0.64275%0.75SS**  cis-157.6152.3-12-144.65.2000112.9
653H27.5Very low27.8Very low170 Ų170122 Ų12279%0.78775%0.748SS**  trans46.8162.8156.6-59.5-23.8000121.4
654G26.5Very low27.8Very low64 Ų64125.9 Ų125.966%0.6676%0.756SS**  cis-131.6176.9-4.200000111.2
655R25.7Very low27.8Very low233 Ų233125.1 Ų125.188%0.87975%0.75SS**  60.1131.851.5-75.9-164.2170.6-156.3-0.4112.8
656L26.1Very low28.6Very low132 Ų132127.7 Ų127.769%0.69175%0.754SS**  cis-154.7171.814.7-120.5165.9000114.3
657L26.7Very low28.6Very low159 Ų159124.8 Ų124.883%0.83275%0.75SS**  trans-47.2154.5177.5-69.2158.1000117.9
658A27.5Very low27.9Very low95 Ų95123.8 Ų123.879%0.78575%0.752SS**  159.9155.5121.300000112.4
659S26.5Very low26.9Very low92 Ų92125.5 Ų125.564%0.64377%0.765SS**  cis-177.9147.5-27.557.60000110.7
660L26Very low27Very low164 Ų164125.8 Ų125.886%0.85977%0.769SS**  trans66.7155.9157.6-63.8161.3000116.9
661S25.7Very low27.2Very low85 Ų85123 Ų12359%0.59478%0.776SS**  cis-169.1158.4-14.847.30000111.3
662T26.1Very low27.1Very low141 Ų141125.5 Ų125.587%0.86578%0.781SS**  trans58.3143.415649.40000119.4
663G25.1Very low27.1Very low69 Ų69124 Ų12471%0.71179%0.786SS**  cis171.2169.5-2.200000112
664D25.8Very low27.1Very low173 Ų173120.6 Ų120.693%0.92579%0.787SS**  trans58.6149.3170.1-74.1-19.7000122.3
665S26.6Very low27.1Very low112 Ų112122.6 Ų122.678%0.78379%0.791SS**  trans-113.2-171.6168.4-52.20000107.5
666P41Very low27.1Very low127 Ų127122.5 Ų122.583%0.82579%0.79SS**  cis-138177.2-3.642.7-25.9000115.9
667G25Very low27.2Very low73 Ų73123.1 Ų123.175%0.75379%0.794SS**  120.4161.312800000120.1
668A26.9Very low27.2Very low94 Ų94121.9 Ų121.978%0.77779%0.788SS**  trans59.596.9161.900000119.3
669C24Very low27.2Very low137 Ų137122.5 Ų122.593%0.92679%0.787SS**  trans-66.1138153.3-51.70000110.2
670I28.3Very low27.2Very low155 Ų155121.7 Ų121.780%0.79579%0.793SS**  trans-122.7131.1166.5-68.1-179.3000108.4
671A29.4Very low27.3Very low98 Ų98118.2 Ų118.281%0.8179%0.788SS**  trans-85.1143.5176.500000111.6
672V26.1Very low27.3Very low142 Ų142121.9 Ų121.986%0.86180%0.8SS**  trans-132.2132.6162.7-1790000108
673A26.5Very low27.2Very low90 Ų90122 Ų12274%0.74480%0.801SS**  trans-105.1144.1-17900000112.2
674A27.5Very low27.3Very low98 Ų98128 Ų12881%0.8181%0.807SS**  trans35.5130.2148.800000121.5
675S26.4Very low27.3Very low106 Ų106126.2 Ų126.274%0.74180%0.803SS**  -174.5130.7120.746.40000111.2
676R27Very low27.2Very low230 Ų230125.6 Ų125.687%0.86880%0.798SS**  63.3136103.8-64.4-177174.9-159.1-1.4114.6
677L26.5Very low26.5Very low145 Ų145124.1 Ų124.176%0.75979%0.791SS**  cis-151.1-164.48.5-101.1152.7000107.4
678N28.2Very low26.6Very low134 Ų134128.6 Ų128.672%0.71780%0.798SS**  cis-158.6-161.916.9-152.85.7000113.3
679S27.8Very low26.5Very low108 Ų108127.8 Ų127.876%0.75580%0.799SS**  trans-43.3164.5167.6-420000117.6
680G26.1Very low26.6Very low75 Ų75127.6 Ų127.677%0.77379%0.788SS**  cis152-1806.300000110.4
681A27Very low26.6Very low91 Ų91128.1 Ų128.175%0.75279%0.785SS**  cis-172.2152.5-14.600000111.6
682L26.1Very low26.5Very low161 Ų161129.4 Ų129.484%0.84378%0.783SS**  trans61.3131.3169.9-79.181.6000121.5
683T24.9Very low26.6Very low145 Ų145129.4 Ų129.489%0.8978%0.783SS**  -174.9-179.6111.325.10000111.7
684K26.4Very low26.7Very low193 Ų193132.6 Ų132.684%0.83979%0.788SS**  trans-139.8172.5-174.4-89.2-173172.1-175.60111.4
685T24.9Very low26.6Very low137 Ų137131.4 Ų131.484%0.8478%0.784SS**  trans78.1147.5165.869.20000117.1
686S25.7Very low26.8Very low98 Ų98133.5 Ų133.569%0.68579%0.792SS**  cis-172.8145.6-21.148.90000113.2
687S26Very low27.2Very low97 Ų97129.4 Ų129.468%0.67879%0.793SS**  trans55.6139.9147.556.20000123.5
688D27.5Very low27.4Very low167 Ų167126.2 Ų126.289%0.89380%0.795SS**  trans61.6151.8162.3-50.9-13000117.3
689G24.7Very low27.8Very low77 Ų77123.5 Ų123.579%0.79480%0.799SS**  cis169.9166.6-2.900000108
690D26.1Very low28.5Very low133 Ų133122.7 Ų122.771%0.71181%0.808SS**  cis-164.6167-4.2176.728.4000108.2
691K26.9Very low30.3Very low165 Ų165121.3 Ų121.372%0.71779%0.794SS**  trans70109169.3-47.1-164.8-177.1-178.90117.7
692T27.7Very low33.1Very low125 Ų125123.5 Ų123.577%0.76779%0.786SS**  69.2106.667.268.20000117
693V28.4Very low36.4Very low142 Ų142122 Ų12286%0.86177%0.769SS**  trans-146.5151.8135.5-1770000108.1
694D28.1Very low39.7Very low158 Ų158115 Ų11585%0.84573%0.727SS**  trans-71159.9-163.6-51.3-89.1000118.5
695G26Very low43Very low72 Ų72108.8 Ų108.874%0.74270%0.702SS**  124.264.5105.500000121.1
696V30.2Very low46.3Very low150 Ų150102.3 Ų102.391%0.90966%0.662SS**  trans-137.6131.5152.4-177.10000110.6
697T36.1Very low49.6Very low144 Ų144100.1 Ų100.188%0.88364%0.644SS**  trans-90.4132.1174.242.90000111.3
698G30.5Very low52.5Low78 Ų78102 Ų10280%0.80464%0.637SS**  trans-176.6103177.500000115.8
699G35.6Very low55.6Low78 Ų7897.1 Ų97.180%0.80462%0.615SS**  trans47.190.8152.600000118.8G701G699-G701 VanDerWaalsContact C-N 3.31Å; G699-G701 PolarHBondContact O-N 2.8Å
700G44.3Very low58.8Low90 Ų9094.3 Ų94.393%0.92858%0.582SS**  trans-66.787.1161.100000111.2
701G62.7Low62Low47 Ų4795.5 Ų95.549%0.48558%0.584SS.*  trans-63.9141.9176.200000111.6G699G699-G701 VanDerWaalsContact C-N 3.31Å; G699-G701 PolarHBondContact O-N 2.8Å
702K86.6Confident64.9Low137 Ų13789.3 Ų89.360%0.59656%0.564SS**EExtended strand (participates in β ladder)trans-61152.5176.2-54.8-178.4-178.4-179.90110.1A728 V729 M756K702-A728 PolarHBondContact O-N 3.19Å; K702-V729 HydrophobicContact CB-CB 4.42Å; K702-V729 PolarHBondContact O-N 3.02Å; K702-M756 HydrophobicContact CB-CE 3.66Å; K702-M756 HydrophobicContact CD-CE 3.88Å; K702-M756 HydrophobicContact CG-CE 4.4Å
703R94.8Very high67.3Low128 Ų12891.5 Ų91.548%0.48357%0.565SS.*EExtended strand (participates in β ladder)trans-120.2162175.3-63.9178.8-56.8175.47.7109.9F726 M756 L757R703-F726 VanDerWaalsContact CA-O 3.25Å; R703-F726 WeakPolarHBondContact CA-O 3.34Å; R703-F726 WeakPolarHBondContact CB-O 3.47Å; R703-M756 WeakPolarHBondContact O-CE 3.23Å; R703-L757 HydrophobicContact CB-CB 3.94Å; R703-L757 PolarHBondContact O-N 3Å
704A94.4Very high70Confident0 Ų090 Ų900%055%0.548CS..EExtended strand (participates in β ladder)trans-146.5162.4172.700000110.6I725 F726 V729 V754 E755 M756A704-I725 CarbonylContact O-C 3.51Å; A704-I725 WeakPolarHBondContact O-CA 3.46Å; A704-F726 HydrophobicContact CB-CD2 4.34Å; A704-F726 PolarHBondContact N-O 3.11Å; A704-F726 PolarHBondContact O-N 3.38Å; A704-V729 HydrophobicContact CB-CG1 4.45Å; A704-V729 HydrophobicContact CB-CG2 4.06Å; A704-V754 HydrophobicContact CB-CB 3.94Å; A704-V754 HydrophobicContact CB-CG2 3.95Å; A704-E755 CarbonylContact C-O 3.39Å; A704-E755 WeakPolarHBondContact CA-O 3.34Å; A704-E755 WeakPolarHBondContact CB-O 3.47Å; A704-M756 HydrophobicContact CB-SD 3.85Å
705M95.4Very high72.5Confident62 Ų6291.2 Ų91.231%0.30556%0.555SS.*EExtended strand (participates in β ladder)trans-125.2134.3177-175.1173.461.800110.7V707 A724 I725 V754 E755 L757M705-V707 PolarHBondContact O-N 3.5Å; M705-A724 CarbonylContact C-O 3.58Å; M705-A724 VanDerWaalsContact CA-O 3.29Å; M705-A724 WeakPolarHBondContact CA-O 3.31Å; M705-I725 HydrophobicContact CG-CG1 4.46Å; M705-V754 CarbonylContact O-C 3.48Å; M705-V754 WeakPolarHBondContact O-CA 3.43Å; M705-V754 WeakPolarHBondContact O-CB 3.43Å; M705-E755 PolarHBondContact N-O 3.06Å; M705-E755 PolarHBondContact O-N 3.29Å; M705-L757 HydrophobicContact CB-CD1 3.94Å; M705-L757 HydrophobicContact CB-CD2 4.1Å; M705-L757 HydrophobicContact CB-CG 4.04Å
706A95.2Very high75.4Confident1 Ų191 Ų911%0.00854%0.542CS..EExtended strand (participates in β ladder)trans-64.6118.9174.300000111.7F720 Q721 G723 A724 F726A706-F720 HydrophobicContact CB-CD2 3.5Å; A706-F720 VanDerWaalsContact CB-CD2 3.5Å; A706-F720 HydrophobicContact CB-CE2 3.71Å; A706-Q721 VanDerWaalsContact CB-O 3.31Å; A706-Q721 WeakPolarHBondContact CB-O 3.36Å; A706-G723 PolarHBondContact O-N 2.7Å; A706-A724 HydrophobicContact CB-CB 4.11Å; A706-A724 PolarHBondContact N-O 3.29Å; A706-F726 HydrophobicContact CB-CE2 4.03Å; A706-F726 HydrophobicContact CB-CZ 4.44Å
707V93.9Very high78.4Confident51 Ų5185.3 Ų85.331%0.30951%0.505SS..SBendtrans-97.8-18172.2-68.20000112.4M705 Y753 E755M705-V707 PolarHBondContact O-N 3.5Å; V707-Y753 WeakPolarHBondContact CG2-O 3.44Å; V707-Y753 PolarHBondContact N-O 3.38Å; V707-E755 HydrophobicContact CG1-CB 3.87Å
708Y86.9Confident81.1Confident137 Ų13779 Ų7954%0.53747%0.467SS..SBendtrans-129.1150.6170.1-61-70000110F720 Y753Y708-F720 WeakPolarHBondContact O-CE2 3.49Å; Y708-Y753 PolarHBondContact N-O 2.85Å
709P93.6Very high84.1Confident64 Ų6478.8 Ų78.842%0.41645%0.452SS..  trans-78153.5174.834.5-33.3000110.6F720 V722 Y753P709-F720 WeakPolarHBondContact CA-O 3.37Å; P709-V722 HydrophobicContact CB-CG2 4.33Å; P709-V722 HydrophobicContact CG-CG2 4.33Å; P709-Y753 VanDerWaalsContact O-CE1 3.28Å; P709-Y753 WeakPolarHBondContact O-CE1 3.42Å
710C91.8Very high86.9Confident18 Ų1875.5 Ų75.512%0.12242%0.416CS..BIsolated β-bridgetrans-138.8139.6179.2-172.10000110.1S719 F720 Y753C710-S719 CarbonylContact O-C 3.59Å; C710-S719 WeakPolarHBondContact O-CA 3.39Å; C710-F720 HydrophobicContact CB-CD1 4.01Å; C710-F720 HydrophobicContact CB-CD2 4.03Å; C710-F720 HydrophobicContact CB-CE1 3.6Å; C710-F720 HydrophobicContact CB-CE2 3.64Å; C710-F720 HydrophobicContact CB-CG 4.21Å; C710-F720 HydrophobicContact CB-CZ 3.41Å; C710-F720 VanDerWaalsContact CB-CZ 3.41Å; C710-F720 PolarHBondContact N-O 3.33Å; C710-F720 PolarHBondContact O-N 2.9Å; C710-F720 VanDerWaalsContact O-O 3.09Å; C710-Y753 HydrophobicContact CB-CD1 4.2Å
711E93.2Very high89.3Confident159 Ų15977.1 Ų77.174%0.74340%0.399SS*.  trans-116.3125.3166-65.5-173.6158.400106.8
712A87.9Confident90.8Very high35 Ų3579.2 Ų79.229%0.28940%0.402SS..  trans-65.2131.4-177.500000111.9E717 S719A712-E717 WeakPolarHBondContact CA-OE2 3.28Å; A712-E717 HydrophobicContact CB-CB 3.63Å; A712-S719 WeakPolarHBondContact CB-OG 3.41Å; A712-S719 PolarHBondContact N-OG 3.04Å
713E77.8Confident90.9Very high171 Ų17174.6 Ų74.680%0.79939%0.394SS*.SBendtrans-87.7-19.9171.9-64.2-169.617500111.9E717E713-E717 PolarHBondContact N-OE2 3.41Å
714H84.8Confident90.9Very high110 Ų11069.6 Ų69.651%0.50938%0.38SS..SBendtrans-134.5153.9-179.3-54.192.9000113S716 E717H714-S716 PolarHBondContact O-N 2.86Å; H714-E717 IonicContact CE1-OE1 2.74Å; H714-E717 IonicContact CG-OE1 3.36Å; H714-E717 IonicContact ND1-OE1 2.65Å; H714-E717 PolarHBondContact ND1-OE1 3.17Å; H714-E717 PolarHBondContact O-N 2.93Å
715D81.6Confident90.9Very high184 Ų18474.2 Ų74.298%0.98440%0.403SS*.THydrogen-bonded Turntrans-58.9-14.4178.7-67.7-39.4000114.7
716S87.2Confident90.9Very high67 Ų6771.2 Ų71.247%0.46939%0.389SS..THydrogen-bonded Turntrans-88-9.3176.5460000114.5H714 G747 L748H714-S716 PolarHBondContact O-N 2.86Å; S716-G747 CarbonylContact O-C 3.59Å; S716-G747 VanDerWaalsContact O-CA 3.26Å; S716-G747 WeakPolarHBondContact O-CA 3.11Å; S716-L748 PolarHBondContact O-N 2.97Å
717E92.6Very high90.9Very high30 Ų3073.6 Ų73.614%0.1441%0.406CS..BIsolated β-bridgetrans-100.9160.5-177.4-65.7163-152.900111.7A712 E713 H714 W737 L748A712-E717 WeakPolarHBondContact CA-OE2 3.28Å; A712-E717 HydrophobicContact CB-CB 3.63Å; E713-E717 PolarHBondContact N-OE2 3.41Å; H714-E717 IonicContact CE1-OE1 2.74Å; H714-E717 IonicContact CG-OE1 3.36Å; H714-E717 IonicContact ND1-OE1 2.65Å; H714-E717 PolarHBondContact ND1-OE1 3.17Å; H714-E717 PolarHBondContact O-N 2.93Å; E717-W737 HydrophobicContact CG-CH2 3.98Å; E717-W737 HydrophobicContact CG-CZ3 3.97Å; E717-L748 HydrophobicContact CG-CB 4.23Å
718L91.6Very high90.8Very high13 Ų1373.5 Ų73.57%0.06841%0.41CS..  trans-104.2125.3174.7-64.4178.2000111.4F720 F726 L742 K745 L748 I749L718-F720 HydrophobicContact CB-CD1 4.11Å; L718-F720 WeakPolarHBondContact O-CD1 3.29Å; L718-F720 VanDerWaalsContact O-CE1 3.27Å; L718-F720 WeakPolarHBondContact O-CE1 3.31Å; L718-F726 HydrophobicContact CD1-CD1 4.21Å; L718-F726 HydrophobicContact CD1-CE1 4.13Å; L718-L742 HydrophobicContact CD1-CB 4.05Å; L718-K745 HydrophobicContact CD2-CB 4.06Å; L718-L748 PolarHBondContact N-O 3.25Å; L718-I749 HydrophobicContact CD1-CD1 4.21Å; L718-I749 HydrophobicContact CD1-CG1 3.96Å
719S94Very high91.1Very high72 Ų7267.3 Ų67.350%0.50339%0.387SS..  trans-79.1133.5163.5-57.50000110.5C710 A712C710-S719 CarbonylContact O-C 3.59Å; C710-S719 WeakPolarHBondContact O-CA 3.39Å; A712-S719 WeakPolarHBondContact CB-OG 3.41Å; A712-S719 PolarHBondContact N-OG 3.04Å
720F95Very high91Very high10 Ų1066.2 Ų66.24%0.04438%0.383CS..BIsolated β-bridgetrans-157.2162.6-17854.2-99.3000113.7A706 Y708 P709 C710 L718 A724 F726 L742 I749A706-F720 HydrophobicContact CB-CD2 3.5Å; A706-F720 VanDerWaalsContact CB-CD2 3.5Å; A706-F720 HydrophobicContact CB-CE2 3.71Å; Y708-F720 WeakPolarHBondContact O-CE2 3.49Å; P709-F720 WeakPolarHBondContact CA-O 3.37Å; C710-F720 HydrophobicContact CB-CD1 4.01Å; C710-F720 HydrophobicContact CB-CD2 4.03Å; C710-F720 HydrophobicContact CB-CE1 3.6Å; C710-F720 HydrophobicContact CB-CE2 3.64Å; C710-F720 HydrophobicContact CB-CG 4.21Å; C710-F720 HydrophobicContact CB-CZ 3.41Å; C710-F720 VanDerWaalsContact CB-CZ 3.41Å; C710-F720 PolarHBondContact N-O 3.33Å; C710-F720 PolarHBondContact O-N 2.9Å; C710-F720 VanDerWaalsContact O-O 3.09Å; L718-F720 HydrophobicContact CB-CD1 4.11Å; L718-F720 WeakPolarHBondContact O-CD1 3.29Å; L718-F720 VanDerWaalsContact O-CE1 3.27Å; L718-F720 WeakPolarHBondContact O-CE1 3.31Å; F720-A724 HydrophobicContact CB-CB 4.01Å; F720-F726 HydrophobicContact CB-CZ 4.1Å; F720-F726 AromaticContact CD1-CE1 3.82Å; F720-F726 HydrophobicContact CD1-CE1 3.82Å; F720-F726 AromaticContact CD1-CZ 3.5Å; F720-F726 HydrophobicContact CD1-CZ 3.5Å; F720-F726 VanDerWaalsContact CD1-CZ 3.5Å; F720-F726 AromaticContact CD2-CZ 3.86Å; F720-F726 HydrophobicContact CD2-CZ 3.86Å; F720-F726 HydrophobicContact CE1-CE1 4.18Å; F720-F726 AromaticContact CE1-CZ 3.74Å; F720-F726 HydrophobicContact CE1-CZ 3.74Å; F720-F726 HydrophobicContact CE2-CZ 4.05Å; F720-F726 HydrophobicContact CG-CE1 4.2Å; F720-F726 AromaticContact CG-CZ 3.57Å; F720-F726 HydrophobicContact CG-CZ 3.57Å; F720-F726 AromaticContact CZ-CZ 4Å; F720-F726 HydrophobicContact CZ-CZ 4Å; F720-L742 HydrophobicContact CB-CD2 3.72Å; F720-I749 HydrophobicContact CE1-CG2 4.02Å; F720-I749 HydrophobicContact CZ-CG2 3.98Å
721Q94.6Very high91Very high124 Ų12470.3 Ų70.358%0.57941%0.409SS*.  trans-110.2160.9177.1-65.9-62.9-32.400111.2A706 G723 A724A706-Q721 VanDerWaalsContact CB-O 3.31Å; A706-Q721 WeakPolarHBondContact CB-O 3.36Å; Q721-G723 PolarHBondContact O-N 3.05Å; Q721-A724 VanDerWaalsContact O-CB 3.23Å; Q721-A724 WeakPolarHBondContact O-CB 3.39Å; Q721-A724 PolarHBondContact O-N 3.23Å
722V93.6Very high90.9Very high90 Ų9063.9 Ų63.955%0.54538%0.382SS..THydrogen-bonded Turntrans-55.4131.5176.4-175.70000110.3P709P709-V722 HydrophobicContact CB-CG2 4.33Å; P709-V722 HydrophobicContact CG-CG2 4.33Å
723G89.4Confident90.8Very high41 Ų4173.5 Ų73.542%0.42341%0.41SS..THydrogen-bonded Turntrans89.7-3.1-175.200000115.4A706 Q721A706-G723 PolarHBondContact O-N 2.7Å; Q721-G723 PolarHBondContact O-N 3.05Å
724A94.3Very high91.1Very high22 Ų2270.5 Ų70.518%0.18240%0.396CS..  trans-61.3139.2168.900000110.9M705 A706 F720 Q721 L742M705-A724 CarbonylContact C-O 3.58Å; M705-A724 VanDerWaalsContact CA-O 3.29Å; M705-A724 WeakPolarHBondContact CA-O 3.31Å; A706-A724 HydrophobicContact CB-CB 4.11Å; A706-A724 PolarHBondContact N-O 3.29Å; F720-A724 HydrophobicContact CB-CB 4.01Å; Q721-A724 VanDerWaalsContact O-CB 3.23Å; Q721-A724 WeakPolarHBondContact O-CB 3.39Å; Q721-A724 PolarHBondContact O-N 3.23Å; A724-L742 HydrophobicContact CB-CD1 4.14Å; A724-L742 HydrophobicContact CB-CD2 4.26Å
725I95.4Very high91.1Very high97 Ų9771.7 Ų71.750%0.49741%0.414SS..EExtended strand (participates in β ladder)trans-113.2125.4-178-62.5175.5000110A704 M705 L742 L757A704-I725 CarbonylContact O-C 3.51Å; A704-I725 WeakPolarHBondContact O-CA 3.46Å; M705-I725 HydrophobicContact CG-CG1 4.46Å; I725-L742 WeakPolarHBondContact O-CD1 3.35Å; I725-L757 HydrophobicContact CD1-CD1 4.44Å; I725-L757 HydrophobicContact CG1-CD1 4.29Å; I725-L757 HydrophobicContact CG2-CD1 4.02Å
726F95.8Very high91.3Very high0 Ų064.6 Ų64.60%038%0.384CS..EExtended strand (participates in β ladder)trans-98.5142.5178.8-51.9-88.1000111R703 A704 A706 L718 F720 V729 E741 L742 I749 V754R703-F726 VanDerWaalsContact CA-O 3.25Å; R703-F726 WeakPolarHBondContact CA-O 3.34Å; R703-F726 WeakPolarHBondContact CB-O 3.47Å; A704-F726 HydrophobicContact CB-CD2 4.34Å; A704-F726 PolarHBondContact N-O 3.11Å; A704-F726 PolarHBondContact O-N 3.38Å; A706-F726 HydrophobicContact CB-CE2 4.03Å; A706-F726 HydrophobicContact CB-CZ 4.44Å; L718-F726 HydrophobicContact CD1-CD1 4.21Å; L718-F726 HydrophobicContact CD1-CE1 4.13Å; F720-F726 HydrophobicContact CB-CZ 4.1Å; F720-F726 AromaticContact CD1-CE1 3.82Å; F720-F726 HydrophobicContact CD1-CE1 3.82Å; F720-F726 AromaticContact CD1-CZ 3.5Å; F720-F726 HydrophobicContact CD1-CZ 3.5Å; F720-F726 VanDerWaalsContact CD1-CZ 3.5Å; F720-F726 AromaticContact CD2-CZ 3.86Å; F720-F726 HydrophobicContact CD2-CZ 3.86Å; F720-F726 HydrophobicContact CE1-CE1 4.18Å; F720-F726 AromaticContact CE1-CZ 3.74Å; F720-F726 HydrophobicContact CE1-CZ 3.74Å; F720-F726 HydrophobicContact CE2-CZ 4.05Å; F720-F726 HydrophobicContact CG-CE1 4.2Å; F720-F726 AromaticContact CG-CZ 3.57Å; F720-F726 HydrophobicContact CG-CZ 3.57Å; F720-F726 AromaticContact CZ-CZ 4Å; F720-F726 HydrophobicContact CZ-CZ 4Å; F726-V729 HydrophobicContact CB-CG2 3.65Å; F726-E741 WeakPolarHBondContact CA-O 3.14Å; F726-L742 HydrophobicContact CD1-CB 3.86Å; F726-L742 HydrophobicContact CE1-CB 4.01Å; F726-L742 HydrophobicContact CE1-CD2 3.91Å; F726-L742 HydrophobicContact CE1-CG 4.38Å; F726-L742 HydrophobicContact CZ-CD2 4.49Å; F726-I749 HydrophobicContact CB-CD1 4.1Å; F726-I749 HydrophobicContact CD1-CD1 3.31Å; F726-I749 HydrophobicContact CD1-CG1 4Å; F726-I749 HydrophobicContact CD2-CD1 4.36Å; F726-I749 HydrophobicContact CE1-CD1 3.74Å; F726-I749 HydrophobicContact CE1-CG1 3.9Å; F726-I749 HydrophobicContact CE1-CG2 4.48Å; F726-I749 HydrophobicContact CE2-CG2 4.41Å; F726-I749 HydrophobicContact CG-CD1 3.66Å; F726-I749 HydrophobicContact CZ-CD1 4.43Å; F726-I749 HydrophobicContact CZ-CG1 4.46Å; F726-I749 HydrophobicContact CZ-CG2 4.23Å; F726-V754 HydrophobicContact CD2-CG1 3.94Å; F726-V754 HydrophobicContact CE2-CG1 3.47Å; F726-V754 VanDerWaalsContact CE2-CG1 3.47Å; F726-V754 HydrophobicContact CZ-CG1 4.26Å
727S94.9Very high91.7Very high51 Ų5164.6 Ų64.636%0.35737%0.374SS..EExtended strand (participates in β ladder)trans-109.4166.1171.6760000111.4V729 E741S727-V729 PolarHBondContact O-N 2.95Å; S727-V729 VanDerWaalsContact O-N 3.13Å; S727-E741 PolarHBondContact N-O 2.58Å; S727-E741 PolarHBondContact O-N 2.83Å
728A91.1Very high91.7Very high49 Ų4963.8 Ų63.841%0.40537%0.371SS..EExtended strand (participates in β ladder)trans53.532.5177.300000115.2K702 A730K702-A728 PolarHBondContact O-N 3.19Å; A728-A730 PolarHBondContact O-N 2.89Å
729V93.6Very high91.9Very high7 Ų767.9 Ų67.94%0.04239%0.389CS..EExtended strand (participates in β ladder)trans-69.5127.3-171.2-175.90000111.8K702 A704 F726 S727 L738 E739 M756K702-V729 HydrophobicContact CB-CB 4.42Å; K702-V729 PolarHBondContact O-N 3.02Å; A704-V729 HydrophobicContact CB-CG1 4.45Å; A704-V729 HydrophobicContact CB-CG2 4.06Å; F726-V729 HydrophobicContact CB-CG2 3.65Å; S727-V729 PolarHBondContact O-N 2.95Å; S727-V729 VanDerWaalsContact O-N 3.13Å; V729-L738 HydrophobicContact CG1-CB 4.11Å; V729-L738 HydrophobicContact CG1-CD1 3.81Å; V729-L738 HydrophobicContact CG1-CG 4.48Å; V729-E739 CarbonylContact C-O 3.57Å; V729-E739 WeakPolarHBondContact CA-O 3.35Å; V729-M756 HydrophobicContact CB-CE 4.29Å; V729-M756 HydrophobicContact CG1-CE 4.07Å; V729-M756 HydrophobicContact CG1-SD 4.27Å
730A92.1Very high91.9Very high41 Ų4164.6 Ų64.634%0.33937%0.367SS..EExtended strand (participates in β ladder)trans-137.8156.9-179.200000111.5A728 S732 L738 E739A728-A730 PolarHBondContact O-N 2.89Å; A730-S732 PolarHBondContact O-N 2.8Å; A730-L738 CarbonylContact O-C 3.59Å; A730-L738 VanDerWaalsContact O-CA 3.29Å; A730-L738 WeakPolarHBondContact O-CA 3.36Å; A730-L738 WeakPolarHBondContact O-CB 3.46Å; A730-E739 PolarHBondContact N-O 2.7Å; A730-E739 PolarHBondContact O-N 2.94Å
731P90.8Very high91.9Very high104 Ų10466.8 Ų66.868%0.67538%0.378SS*.EExtended strand (participates in β ladder)trans-62.3134.6171.5-19.332.6000111.3
732S91.8Very high91.8Very high23 Ų2362.2 Ų62.216%0.16136%0.357CS..  trans-72.8170.1171.9-176.10000111.3A730 E734 W737 L748A730-S732 PolarHBondContact O-N 2.8Å; S732-E734 PolarHBondContact OG-N 2.92Å; S732-E734 VanDerWaalsContact OG-N 3.13Å; S732-W737 WeakPolarHBondContact CB-O 3.37Å; S732-W737 PolarHBondContact N-O 3.36Å; S732-L748 WeakPolarHBondContact OG-CD2 3.39Å
733R85.6Confident91.6Very high238 Ų23867.2 Ų67.290%0.89837%0.374SS*.SBendtrans-71.5-18.8162.6-62.2-177.8-179.7-166.9-0.4112.5
734E84.3Confident91.4Very high108 Ų10868 Ų6851%0.50538%0.383SS..SBendtrans-94.7120.4179.9-64.9-171.5-147.400110.8S732 G736 W737S732-E734 PolarHBondContact OG-N 2.92Å; S732-E734 VanDerWaalsContact OG-N 3.13Å; E734-G736 PolarHBondContact O-N 3.39Å; E734-W737 HydrophobicContact CB-CB 4.37Å; E734-W737 HydrophobicContact CB-CG 4.42Å; E734-W737 PolarHBondContact O-N 3.42Å; E734-W737 VanDerWaalsContact O-N 3.12Å
735P84.4Confident91.2Very high134 Ų13474.3 Ų74.387%0.8741%0.406SS*.THydrogen-bonded Turntrans-60.3130.5-177.8-25.435000112.8
736G86.6Confident91.1Very high36 Ų3677.1 Ų77.137%0.37141%0.414SS..THydrogen-bonded Turntrans865.4-17600000114.7E734 E751E734-G736 PolarHBondContact O-N 3.39Å; G736-E751 VanDerWaalsContact O-CB 3.28Å; G736-E751 WeakPolarHBondContact O-CB 3.39Å; G736-E751 PolarHBondContact O-N 2.7Å
737W93.8Very high91Very high67 Ų6777.6 Ų77.625%0.25442%0.42SS..EExtended strand (participates in β ladder)trans-120.1151173.5-64.588.4000112E717 S732 E734 L748 I749 P750E717-W737 HydrophobicContact CG-CH2 3.98Å; E717-W737 HydrophobicContact CG-CZ3 3.97Å; S732-W737 WeakPolarHBondContact CB-O 3.37Å; S732-W737 PolarHBondContact N-O 3.36Å; E734-W737 HydrophobicContact CB-CB 4.37Å; E734-W737 HydrophobicContact CB-CG 4.42Å; E734-W737 PolarHBondContact O-N 3.42Å; E734-W737 VanDerWaalsContact O-N 3.12Å; W737-L748 HydrophobicContact CB-CD2 4.33Å; W737-L748 HydrophobicContact CD2-CB 4.43Å; W737-L748 HydrophobicContact CE3-CB 3.69Å; W737-L748 HydrophobicContact CZ3-CB 4.07Å; W737-I749 WeakPolarHBondContact CA-O 3.33Å; W737-I749 VanDerWaalsContact CE3-C 3.43Å; W737-P750 HydrophobicContact CE3-CB 4.38Å; W737-P750 HydrophobicContact CE3-CG 4.02Å; W737-P750 HydrophobicContact CH2-CG 3.99Å; W737-P750 HydrophobicContact CZ3-CB 4.38Å; W737-P750 HydrophobicContact CZ3-CG 3.58Å
738L94.1Very high91Very high13 Ų1376 Ų767%0.06841%0.407CS..EExtended strand (participates in β ladder)trans-114.9147.7170.6-55.8177.4000108.8V729 A730 L748 I749 E751 V754 M756V729-L738 HydrophobicContact CG1-CB 4.11Å; V729-L738 HydrophobicContact CG1-CD1 3.81Å; V729-L738 HydrophobicContact CG1-CG 4.48Å; A730-L738 CarbonylContact O-C 3.59Å; A730-L738 VanDerWaalsContact O-CA 3.29Å; A730-L738 WeakPolarHBondContact O-CA 3.36Å; A730-L738 WeakPolarHBondContact O-CB 3.46Å; L738-L748 CarbonylContact O-C 3.55Å; L738-L748 WeakPolarHBondContact O-CA 3.35Å; L738-I749 HydrophobicContact CB-CB 4.49Å; L738-I749 PolarHBondContact N-O 2.85Å; L738-I749 PolarHBondContact O-N 2.93Å; L738-E751 HydrophobicContact CD1-CB 4.46Å; L738-E751 HydrophobicContact CD1-CG 4.28Å; L738-E751 HydrophobicContact CD2-CB 4.43Å; L738-E751 HydrophobicContact CD2-CG 4.17Å; L738-E751 HydrophobicContact CG-CB 4.05Å; L738-E751 HydrophobicContact CG-CG 4.16Å; L738-V754 HydrophobicContact CD1-CG2 3.82Å; L738-M756 HydrophobicContact CD1-SD 4.28Å
739E95.1Very high91.2Very high98 Ų9873.7 Ų73.746%0.45839%0.388SS..EExtended strand (participates in β ladder)trans-91.4137.5162.3-72.3177.4-147.600108.6V729 A730 L748V729-E739 CarbonylContact C-O 3.57Å; V729-E739 WeakPolarHBondContact CA-O 3.35Å; A730-E739 PolarHBondContact N-O 2.7Å; A730-E739 PolarHBondContact O-N 2.94Å; E739-L748 HydrophobicContact CG-CD2 3.91Å
740G93.9Very high91.3Very high4 Ų474 Ų744%0.04139%0.39CS..EExtended strand (participates in β ladder)trans-160.9175.7175.700000112.7K746 G747G740-K746 WeakPolarHBondContact O-CA 3.3Å; G740-G747 PolarHBondContact N-O 2.89Å; G740-G747 VanDerWaalsContact N-O 3.11Å; G740-G747 PolarHBondContact O-N 3.27Å; G740-G747 VanDerWaalsContact O-N 3.12Å
741E95.1Very high91.4Very high56 Ų5677.1 Ų77.126%0.26240%0.398SS..EExtended strand (participates in β ladder)trans-119.6128.3-177-165.5-179.912700111.7F726 S727 K745 K746F726-E741 WeakPolarHBondContact CA-O 3.14Å; S727-E741 PolarHBondContact N-O 2.58Å; S727-E741 PolarHBondContact O-N 2.83Å; E741-K745 CarbonylContact C-O 3.59Å; E741-K745 VanDerWaalsContact CA-O 3.29Å; E741-K745 WeakPolarHBondContact CA-O 3.22Å; E741-K746 HydrophobicContact CB-CG 3.96Å; E741-K746 HydrophobicContact CG-CG 3.85Å; E741-K746 WeakPolarHBondContact OE2-CE 3.41Å; E741-K746 IonicContact OE2-NZ 2.74Å
742L93.5Very high91.5Very high27 Ų2777.7 Ų77.714%0.14140%0.395CS..EExtended strand (participates in β ladder)trans-128125.9174.7-177.264.3000109.1L718 F720 A724 I725 F726 G744 K745L718-L742 HydrophobicContact CD1-CB 4.05Å; F720-L742 HydrophobicContact CB-CD2 3.72Å; A724-L742 HydrophobicContact CB-CD1 4.14Å; A724-L742 HydrophobicContact CB-CD2 4.26Å; I725-L742 WeakPolarHBondContact O-CD1 3.35Å; F726-L742 HydrophobicContact CD1-CB 3.86Å; F726-L742 HydrophobicContact CE1-CB 4.01Å; F726-L742 HydrophobicContact CE1-CD2 3.91Å; F726-L742 HydrophobicContact CE1-CG 4.38Å; F726-L742 HydrophobicContact CZ-CD2 4.49Å; L742-G744 PolarHBondContact O-N 3.1Å; L742-K745 PolarHBondContact N-O 3.36Å; L742-K745 PolarHBondContact O-N 2.8Å
743E88.3Confident91.6Very high195 Ų19580.5 Ų80.591%0.91140%0.402SS*.THydrogen-bonded Turntrans50.232.3-179.9-59.5-173.2165.500114.4K745E743-K745 VanDerWaalsContact C-N 3.34Å
744G85.3Confident92Very high58 Ų5870 Ų7060%0.59837%0.365SS*.THydrogen-bonded Turntrans82.81.1-178.400000115.3L742L742-G744 PolarHBondContact O-N 3.1Å
745K89.5Confident92.5Very high154 Ų15469.8 Ų69.867%0.6736%0.364SS*.EExtended strand (participates in β ladder)trans-97132.1169.9-67.3-175.8178.2-178.10110.5L718 E741 L742 E743L718-K745 HydrophobicContact CD2-CB 4.06Å; E741-K745 CarbonylContact C-O 3.59Å; E741-K745 VanDerWaalsContact CA-O 3.29Å; E741-K745 WeakPolarHBondContact CA-O 3.22Å; L742-K745 PolarHBondContact N-O 3.36Å; L742-K745 PolarHBondContact O-N 2.8Å; E743-K745 VanDerWaalsContact C-N 3.34Å
746K93.5Very high92.9Very high156 Ų15667.9 Ų67.968%0.67834%0.344SS*.EExtended strand (participates in β ladder)trans-96.6142.4170-67.4-170.3177.5-171.60111G740 E741G740-K746 WeakPolarHBondContact O-CA 3.3Å; E741-K746 HydrophobicContact CB-CG 3.96Å; E741-K746 HydrophobicContact CG-CG 3.85Å; E741-K746 WeakPolarHBondContact OE2-CE 3.41Å; E741-K746 IonicContact OE2-NZ 2.74Å
747G94.1Very high92.7Very high11 Ų1171.2 Ų71.211%0.11335%0.353CS..EExtended strand (participates in β ladder)trans-176.1-176174.600000112.4S716 G740S716-G747 CarbonylContact O-C 3.59Å; S716-G747 VanDerWaalsContact O-CA 3.26Å; S716-G747 WeakPolarHBondContact O-CA 3.11Å; G740-G747 PolarHBondContact N-O 2.89Å; G740-G747 VanDerWaalsContact N-O 3.11Å; G740-G747 PolarHBondContact O-N 3.27Å; G740-G747 VanDerWaalsContact O-N 3.12Å
748L95.1Very high92.7Very high17 Ų1771.5 Ų71.59%0.08936%0.358CS..EExtended strand (participates in β ladder)trans-80.2141.4179.4-64.8172.5000111.5S716 E717 L718 S732 W737 L738 E739S716-L748 PolarHBondContact O-N 2.97Å; E717-L748 HydrophobicContact CG-CB 4.23Å; L718-L748 PolarHBondContact N-O 3.25Å; S732-L748 WeakPolarHBondContact OG-CD2 3.39Å; W737-L748 HydrophobicContact CB-CD2 4.33Å; W737-L748 HydrophobicContact CD2-CB 4.43Å; W737-L748 HydrophobicContact CE3-CB 3.69Å; W737-L748 HydrophobicContact CZ3-CB 4.07Å; L738-L748 CarbonylContact O-C 3.55Å; L738-L748 WeakPolarHBondContact O-CA 3.35Å; E739-L748 HydrophobicContact CG-CD2 3.91Å
749I95.2Very high92.6Very high1 Ų174.5 Ų74.51%0.00537%0.374CS..EExtended strand (participates in β ladder)trans-133.2127-177.3-57160.4000107L718 F720 F726 W737 L738 E751 V754L718-I749 HydrophobicContact CD1-CD1 4.21Å; L718-I749 HydrophobicContact CD1-CG1 3.96Å; F720-I749 HydrophobicContact CE1-CG2 4.02Å; F720-I749 HydrophobicContact CZ-CG2 3.98Å; F726-I749 HydrophobicContact CB-CD1 4.1Å; F726-I749 HydrophobicContact CD1-CD1 3.31Å; F726-I749 HydrophobicContact CD1-CG1 4Å; F726-I749 HydrophobicContact CD2-CD1 4.36Å; F726-I749 HydrophobicContact CE1-CD1 3.74Å; F726-I749 HydrophobicContact CE1-CG1 3.9Å; F726-I749 HydrophobicContact CE1-CG2 4.48Å; F726-I749 HydrophobicContact CE2-CG2 4.41Å; F726-I749 HydrophobicContact CG-CD1 3.66Å; F726-I749 HydrophobicContact CZ-CD1 4.43Å; F726-I749 HydrophobicContact CZ-CG1 4.46Å; F726-I749 HydrophobicContact CZ-CG2 4.23Å; W737-I749 WeakPolarHBondContact CA-O 3.33Å; W737-I749 VanDerWaalsContact CE3-C 3.43Å; L738-I749 HydrophobicContact CB-CB 4.49Å; L738-I749 PolarHBondContact N-O 2.85Å; L738-I749 PolarHBondContact O-N 2.93Å; I749-E751 PolarHBondContact O-N 3.08Å; I749-V754 HydrophobicContact CG2-CG1 3.45Å; I749-V754 VanDerWaalsContact CG2-CG1 3.45Å; I749-V754 HydrophobicContact CG2-CG2 4.21Å
750P95Very high92.5Very high12 Ų1273.2 Ų73.28%0.07837%0.369CS..EExtended strand (participates in β ladder)trans-64.5128.6176.8-17.428.6000110.7W737 N752 Y753W737-P750 HydrophobicContact CE3-CB 4.38Å; W737-P750 HydrophobicContact CE3-CG 4.02Å; W737-P750 HydrophobicContact CH2-CG 3.99Å; W737-P750 HydrophobicContact CZ3-CB 4.38Å; W737-P750 HydrophobicContact CZ3-CG 3.58Å; P750-N752 PolarHBondContact O-N 3.23Å; P750-Y753 HydrophobicContact CB-CD2 3.56Å; P750-Y753 HydrophobicContact CB-CE2 4.26Å; P750-Y753 HydrophobicContact CB-CG 3.94Å; P750-Y753 HydrophobicContact CG-CD2 4.04Å; P750-Y753 HydrophobicContact CG-CG 4.08Å; P750-Y753 PolarHBondContact O-N 2.87Å
751E94.2Very high92.4Very high108 Ų10877.3 Ų77.351%0.50539%0.388SS..G310 helixtrans-60.1-33.1-174.8-176.2175.4-15500111.9G736 L738 I749 Y753G736-E751 VanDerWaalsContact O-CB 3.28Å; G736-E751 WeakPolarHBondContact O-CB 3.39Å; G736-E751 PolarHBondContact O-N 2.7Å; L738-E751 HydrophobicContact CD1-CB 4.46Å; L738-E751 HydrophobicContact CD1-CG 4.28Å; L738-E751 HydrophobicContact CD2-CB 4.43Å; L738-E751 HydrophobicContact CD2-CG 4.17Å; L738-E751 HydrophobicContact CG-CB 4.05Å; L738-E751 HydrophobicContact CG-CG 4.16Å; I749-E751 PolarHBondContact O-N 3.08Å; E751-Y753 VanDerWaalsContact C-N 3.32Å; E751-Y753 PolarHBondContact O-N 2.83Å
752N93.7Very high92.2Very high115 Ų11578.6 Ų78.662%0.61540%0.396SS*.G310 helixtrans-84.42.5177.468.2-53.7000114.7P750P750-N752 PolarHBondContact O-N 3.23Å
753Y94Very high92.1Very high82 Ų8282.1 Ų82.132%0.32241%0.413SS..G310 helixtrans-100.2-6.2176.2-81.5-122.5000112.9V707 Y708 P709 C710 P750 E751V707-Y753 WeakPolarHBondContact CG2-O 3.44Å; V707-Y753 PolarHBondContact N-O 3.38Å; Y708-Y753 PolarHBondContact N-O 2.85Å; P709-Y753 VanDerWaalsContact O-CE1 3.28Å; P709-Y753 WeakPolarHBondContact O-CE1 3.42Å; C710-Y753 HydrophobicContact CB-CD1 4.2Å; P750-Y753 HydrophobicContact CB-CD2 3.56Å; P750-Y753 HydrophobicContact CB-CE2 4.26Å; P750-Y753 HydrophobicContact CB-CG 3.94Å; P750-Y753 HydrophobicContact CG-CD2 4.04Å; P750-Y753 HydrophobicContact CG-CG 4.08Å; P750-Y753 PolarHBondContact O-N 2.87Å; E751-Y753 VanDerWaalsContact C-N 3.32Å; E751-Y753 PolarHBondContact O-N 2.83Å
754V93.3Very high92.4Very high17 Ų1774 Ų7410%0.10338%0.377CS..EExtended strand (participates in β ladder)trans-130.1153.9-177.6-59.70000113.4A704 M705 F726 L738 I749A704-V754 HydrophobicContact CB-CB 3.94Å; A704-V754 HydrophobicContact CB-CG2 3.95Å; M705-V754 CarbonylContact O-C 3.48Å; M705-V754 WeakPolarHBondContact O-CA 3.43Å; M705-V754 WeakPolarHBondContact O-CB 3.43Å; F726-V754 HydrophobicContact CD2-CG1 3.94Å; F726-V754 HydrophobicContact CE2-CG1 3.47Å; F726-V754 VanDerWaalsContact CE2-CG1 3.47Å; F726-V754 HydrophobicContact CZ-CG1 4.26Å; L738-V754 HydrophobicContact CD1-CG2 3.82Å; I749-V754 HydrophobicContact CG2-CG1 3.45Å; I749-V754 VanDerWaalsContact CG2-CG1 3.45Å; I749-V754 HydrophobicContact CG2-CG2 4.21Å
755E94.9Very high92.9Very high104 Ų10475.2 Ų75.249%0.48636%0.361SS..EExtended strand (participates in β ladder)trans-114.1135.7171-175.4169.4-153.200109.4A704 M705 V707A704-E755 CarbonylContact C-O 3.39Å; A704-E755 WeakPolarHBondContact CA-O 3.34Å; A704-E755 WeakPolarHBondContact CB-O 3.47Å; M705-E755 PolarHBondContact N-O 3.06Å; M705-E755 PolarHBondContact O-N 3.29Å; V707-E755 HydrophobicContact CG1-CB 3.87Å
756M92.1Very high93.2Very high94 Ų9468.7 Ų68.746%0.46334%0.335SS..EExtended strand (participates in β ladder)trans-75.7140.4-175.7-59.9-60.8-62.600111.9K702 R703 A704 V729 L738K702-M756 HydrophobicContact CB-CE 3.66Å; K702-M756 HydrophobicContact CD-CE 3.88Å; K702-M756 HydrophobicContact CG-CE 4.4Å; R703-M756 WeakPolarHBondContact O-CE 3.23Å; A704-M756 HydrophobicContact CB-SD 3.85Å; V729-M756 HydrophobicContact CB-CE 4.29Å; V729-M756 HydrophobicContact CG1-CE 4.07Å; V729-M756 HydrophobicContact CG1-SD 4.27Å; L738-M756 HydrophobicContact CD1-SD 4.28Å
757L83.8Confident93.2Very high107 Ų10760.7 Ų60.756%0.5630%0.304SS*.  trans-118.60-174.8-63-178.4000114.3R703 M705 I725R703-L757 HydrophobicContact CB-CB 3.94Å; R703-L757 PolarHBondContact O-N 3Å; M705-L757 HydrophobicContact CB-CD1 3.94Å; M705-L757 HydrophobicContact CB-CD2 4.1Å; M705-L757 HydrophobicContact CB-CG 4.04Å; I725-L757 HydrophobicContact CD1-CD1 4.44Å; I725-L757 HydrophobicContact CG1-CD1 4.29Å; I725-L757 HydrophobicContact CG2-CD1 4.02Å

Retrieved 757 of 757 residues in 1877 ms (Link to these results)

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