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Calponin

Thin filament-associated protein that is implicated in the regulation and modulation of smooth muscle contraction. It is capable of binding to actin, calmodulin and tropomyosin. The interaction of calponin with actin inhibits the actomyosin Mg-ATPase activity.

AlphaFold DB , UniProt , Accession A0A060XR45, Species ONCMY (Oncorhynchus mykiss, Rainbow trout), Gene LOC110538304, Length 296 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
1M39.1Very low57.5Low239 Ų239130.6 Ų130.6100%1.17771%0.707SS**  096.80-65.7-178.3-17100108K3M1-K3 PolarHBondContact O-N 2.63Å; M1-K3 VanDerWaalsContact O-N 3.17Å
2S40.3Very low60.1Low108 Ų108124.6 Ų124.676%0.75570%0.698SS**  trans-69.4109.4176.7-172.40000108.1N4S2-N4 VanDerWaalsContact C-N 3.34Å; S2-N4 PolarHBondContact O-N 2.99Å
3K43.4Very low62Low201 Ų201125.2 Ų125.287%0.87470%0.698SS**  trans-71.197.7169-73-176.5179-179.70106.1M1 F5M1-K3 PolarHBondContact O-N 2.63Å; M1-K3 VanDerWaalsContact O-N 3.17Å; K3-F5 PolarHBondContact O-N 3.34Å
4N49.9Very low63.5Low106 Ų106121.6 Ų121.657%0.56769%0.685SS**  trans-53.4116.5168.8-74.4-5.9000107.4S2 K6S2-N4 VanDerWaalsContact C-N 3.34Å; S2-N4 PolarHBondContact O-N 2.99Å; N4-K6 HydrophobicContact CB-CG 4.28Å; N4-K6 PolarHBondContact O-N 3.02Å
5F44.1Very low64.8Low192 Ų192115.7 Ų115.784%0.84266%0.658SS**  trans-71.785.2176.7-161.2-91.9000107.5K3 G7K3-F5 PolarHBondContact O-N 3.34Å; F5-G7 PolarHBondContact O-N 3.41Å
6K60.2Low66.2Low174 Ų174114.6 Ų114.676%0.75765%0.646SS**  trans-78.361-177.8-65.7-170.9178.4-171.10110.8N4N4-K6 HydrophobicContact CB-CG 4.28Å; N4-K6 PolarHBondContact O-N 3.02Å
7G61.4Low67.3Low57 Ų57112.2 Ų112.259%0.58863%0.634SS**  trans65.4156.3174.600000115.7F5F5-G7 PolarHBondContact O-N 3.41Å
8G66.9Low68.1Low54 Ų54111.8 Ų111.856%0.55762%0.624SS**PPolyproline II helixtrans-78.8165.217100000112.1S10G8-S10 PolarHBondContact O-N 3.3Å
9P71.8Confident69Low100 Ų100109.3 Ų109.365%0.64962%0.615SS**PPolyproline II helixtrans-56.7136.2173.8-15.927.3000110.5F11P9-F11 HydrophobicContact CB-CE1 4.3Å; P9-F11 HydrophobicContact CB-CE2 3.84Å; P9-F11 HydrophobicContact CB-CZ 3.7Å; P9-F11 HydrophobicContact CG-CE2 4.23Å; P9-F11 HydrophobicContact CG-CZ 4.01Å; P9-F11 WeakPolarHBondContact O-CD2 3.43Å; P9-F11 VanDerWaalsContact O-CE2 3.27Å; P9-F11 WeakPolarHBondContact O-CE2 3.47Å
10S72.3Confident69.9Low43 Ų43109.3 Ų109.330%0.30161%0.608SS.*PPolyproline II helixtrans-74131.8169.949.70000109.3G8 A15G8-S10 PolarHBondContact O-N 3.3Å; S10-A15 VanDerWaalsContact O-CB 3.29Å; S10-A15 WeakPolarHBondContact O-CB 3.17Å
11F83.4Confident70.6Confident163 Ų163106.3 Ų106.372%0.71559%0.591SS**  trans-116.9160.3177.3-62.5-78.1000111.4P9P9-F11 HydrophobicContact CB-CE1 4.3Å; P9-F11 HydrophobicContact CB-CE2 3.84Å; P9-F11 HydrophobicContact CB-CZ 3.7Å; P9-F11 HydrophobicContact CG-CE2 4.23Å; P9-F11 HydrophobicContact CG-CZ 4.01Å; P9-F11 WeakPolarHBondContact O-CD2 3.43Å; P9-F11 VanDerWaalsContact O-CE2 3.27Å; P9-F11 WeakPolarHBondContact O-CE2 3.47Å
12G87.7Confident72.6Confident58 Ų5898 Ų9860%0.59856%0.56SS**THydrogen-bonded Turntrans63.4-136.7175.100000113.7S14 A15 E16G12-S14 PolarHBondContact O-N 2.6Å; G12-A15 WeakPolarHBondContact O-CB 3.47Å; G12-A15 PolarHBondContact O-N 2.79Å; G12-E16 PolarHBondContact O-N 2.94Å
13L85.6Confident74.9Confident133 Ų133100.1 Ų100.170%0.69656%0.558SS**Hα-helixtrans-56.1-38.1-176.6-173.166.4000112.6A15 E16 V17L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 2.88Å; L13-E16 PolarHBondContact O-N 3.4Å; L13-V17 HydrophobicContact CG-CG2 4.48Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.18Å
14S82.8Confident77.1Confident74 Ų7497.8 Ų97.852%0.51755%0.548SS..Hα-helixtrans-65-34.5178.8-55.60000112.5G12 K18G12-S14 PolarHBondContact O-N 2.6Å; S14-K18 WeakPolarHBondContact O-CB 3.18Å; S14-K18 WeakPolarHBondContact O-CG 3.36Å; S14-K18 PolarHBondContact O-N 3.37Å; S14-K18 VanDerWaalsContact O-N 3.12Å
15A83.8Confident79.1Confident34 Ų3494.9 Ų94.928%0.28153%0.529SS..Hα-helixtrans-70.8-42.3175.800000111.3S10 G12 L13 K18 S19S10-A15 VanDerWaalsContact O-CB 3.29Å; S10-A15 WeakPolarHBondContact O-CB 3.17Å; G12-A15 WeakPolarHBondContact O-CB 3.47Å; G12-A15 PolarHBondContact O-N 2.79Å; L13-A15 VanDerWaalsContact C-N 3.31Å; L13-A15 PolarHBondContact O-N 2.88Å; A15-K18 PolarHBondContact O-N 2.84Å; A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 2.66Å
16E86.2Confident81.4Confident98 Ų9888.2 Ų88.246%0.45850%0.502SS..Hα-helixtrans-65-42.6178.7-165.5-172.9159.100111.6G12 L13 S19 K20G12-E16 PolarHBondContact O-N 2.94Å; L13-E16 PolarHBondContact O-N 3.4Å; E16-S19 PolarHBondContact O-N 3.23Å; E16-K20 WeakPolarHBondContact O-CG 2.96Å; E16-K20 PolarHBondContact O-N 3.29Å; E16-K20 WeakPolarHBondContact OE1-CE 3.26Å; E16-K20 IonicContact OE1-NZ 3.86Å; E16-K20 PolarHBondContact OE1-NZ 3.42Å
17V84.6Confident82.9Confident73 Ų7384.3 Ų84.344%0.44250%0.495SS..Hα-helixtrans-62.1-47.1175.1170.80000111L13 S19 K20 L21L13-V17 HydrophobicContact CG-CG2 4.48Å; L13-V17 VanDerWaalsContact O-CG2 3.31Å; L13-V17 WeakPolarHBondContact O-CG2 3.39Å; L13-V17 PolarHBondContact O-N 3.18Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 2.96Å; V17-K20 PolarHBondContact O-N 3.13Å; V17-L21 HydrophobicContact CG1-CD1 3.94Å; V17-L21 HydrophobicContact CG1-CG 4.48Å; V17-L21 WeakPolarHBondContact O-CB 3.4Å; V17-L21 WeakPolarHBondContact O-CG 3.42Å; V17-L21 PolarHBondContact O-N 2.67Å
18K82.5Confident84.3Confident105 Ų10588.7 Ų88.746%0.45750%0.5SS..Hα-helixtrans-59.8-41.7175.7-78.6-173.2-178.8-172.50112.2S14 A15 L21 A22S14-K18 WeakPolarHBondContact O-CB 3.18Å; S14-K18 WeakPolarHBondContact O-CG 3.36Å; S14-K18 PolarHBondContact O-N 3.37Å; S14-K18 VanDerWaalsContact O-N 3.12Å; A15-K18 PolarHBondContact O-N 2.84Å; K18-L21 PolarHBondContact O-N 3.43Å; K18-A22 WeakPolarHBondContact O-CB 3.21Å; K18-A22 PolarHBondContact O-N 3.45Å
19S85.1Confident85.5Confident65 Ų6590.4 Ų90.446%0.45549%0.492SS..Hα-helixtrans-62.6-47.2176.8-174.30000111.7A15 E16 V17 L21 A22 Q23A15-S19 WeakPolarHBondContact O-CB 3.4Å; A15-S19 PolarHBondContact O-N 2.66Å; E16-S19 PolarHBondContact O-N 3.23Å; V17-S19 VanDerWaalsContact C-N 3.32Å; V17-S19 PolarHBondContact O-N 2.96Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.81Å; S19-A22 PolarHBondContact O-N 2.77Å; S19-Q23 WeakPolarHBondContact O-CG 3.47Å; S19-Q23 PolarHBondContact O-N 3.05Å
20K85.9Confident86.5Confident108 Ų10887.3 Ų87.347%0.4747%0.469SS..Hα-helixtrans-62.7-35.9176.1-74.3177.8-176.6168.40112.8E16 V17E16-K20 WeakPolarHBondContact O-CG 2.96Å; E16-K20 PolarHBondContact O-N 3.29Å; E16-K20 WeakPolarHBondContact OE1-CE 3.26Å; E16-K20 IonicContact OE1-NZ 3.86Å; E16-K20 PolarHBondContact OE1-NZ 3.42Å; V17-K20 PolarHBondContact O-N 3.13Å
21L84.7Confident87.4Confident48 Ų4889.1 Ų89.125%0.25147%0.473SS..Hα-helixtrans-67.8-45.4174.7-76.8168.6000111.3V17 K18 S19 Q23 K24 T117V17-L21 HydrophobicContact CG1-CD1 3.94Å; V17-L21 HydrophobicContact CG1-CG 4.48Å; V17-L21 WeakPolarHBondContact O-CB 3.4Å; V17-L21 WeakPolarHBondContact O-CG 3.42Å; V17-L21 PolarHBondContact O-N 2.67Å; K18-L21 PolarHBondContact O-N 3.43Å; S19-L21 VanDerWaalsContact C-N 3.31Å; S19-L21 PolarHBondContact O-N 2.81Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 2.94Å; L21-K24 WeakPolarHBondContact O-CB 3.41Å; L21-K24 PolarHBondContact O-N 3.49Å; L21-K24 VanDerWaalsContact O-N 3.08Å; L21-T117 WeakPolarHBondContact O-CG2 3.18Å; L21-T117 PolarHBondContact O-OG1 3.38Å
22A82.3Confident87.9Confident65 Ų6585.8 Ų85.854%0.53746%0.46SS..Hα-helixtrans-62-34.5177.100000112.1K18 S19 K24 Y25K18-A22 WeakPolarHBondContact O-CB 3.21Å; K18-A22 PolarHBondContact O-N 3.45Å; S19-A22 PolarHBondContact O-N 2.77Å; A22-K24 PolarHBondContact O-N 2.81Å; A22-Y25 WeakPolarHBondContact O-CB 3.18Å; A22-Y25 PolarHBondContact O-N 3.09Å; A22-Y25 VanDerWaalsContact O-N 3.12Å
23Q88.2Confident88.1Confident151 Ų15183 Ų8371%0.70643%0.431SS*.Hα-helixtrans-64.3-24.4174.5-77177.2-13.900114.2S19 L21 Y25S19-Q23 WeakPolarHBondContact O-CG 3.47Å; S19-Q23 PolarHBondContact O-N 3.05Å; L21-Q23 VanDerWaalsContact C-N 3.26Å; L21-Q23 PolarHBondContact O-N 2.94Å; Q23-Y25 VanDerWaalsContact C-N 3.29Å
24K90.1Very high88.5Confident153 Ų15377.6 Ų77.667%0.66540%0.401SS*.THydrogen-bonded Turntrans-82-11.6176.3-68.6176.7-179.2-174.90112.7L21 A22 T117L21-K24 WeakPolarHBondContact O-CB 3.41Å; L21-K24 PolarHBondContact O-N 3.49Å; L21-K24 VanDerWaalsContact O-N 3.08Å; A22-K24 PolarHBondContact O-N 2.81Å; K24-T117 HydrophobicContact CB-CG2 3.63Å
25Y91.5Very high89Confident45 Ų4576.9 Ų76.918%0.17639%0.391CS..  trans-70.3129.5177.3-166.5-95000109.9A22 Q23 E30 M50 Q120A22-Y25 WeakPolarHBondContact O-CB 3.18Å; A22-Y25 PolarHBondContact O-N 3.09Å; A22-Y25 VanDerWaalsContact O-N 3.12Å; Q23-Y25 VanDerWaalsContact C-N 3.29Å; Y25-E30 HydrophobicContact CE1-CB 4.41Å; Y25-E30 VanDerWaalsContact CE1-OE2 3.26Å; Y25-E30 WeakPolarHBondContact CE1-OE2 3.48Å; Y25-E30 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E30 VanDerWaalsContact OH-CD 3.28Å; Y25-E30 WeakPolarHBondContact OH-CG 3.39Å; Y25-E30 PolarHBondContact OH-OE2 3.41Å; Y25-M50 HydrophobicContact CE2-CE 3.68Å; Y25-M50 VanDerWaalsContact OH-CE 3.25Å; Y25-M50 WeakPolarHBondContact OH-CE 3.5Å; Y25-Q120 HydrophobicContact CD2-CB 4.36Å; Y25-Q120 HydrophobicContact CE2-CB 3.94Å; Y25-Q120 HydrophobicContact CE2-CG 4.4Å
26D92.5Very high89.5Confident51 Ų5175.4 Ų75.427%0.27338%0.379SS..  trans-114.9110.4-176.7-172.6-12.3000110.7Q28 K29 E30 Q120D26-Q28 PolarHBondContact O-N 3.49Å; D26-Q28 WeakPolarHBondContact OD1-CB 3.28Å; D26-Q28 PolarHBondContact OD1-N 2.87Å; D26-K29 HydrophobicContact CB-CB 4.15Å; D26-K29 HydrophobicContact CB-CD 4.11Å; D26-K29 HydrophobicContact CB-CG 4.1Å; D26-K29 PolarHBondContact O-N 3.37Å; D26-E30 PolarHBondContact O-N 3.1Å; D26-E30 VanDerWaalsContact O-N 3.13Å; D26-Q120 VanDerWaalsContact N-OE1 3.13Å; D26-Q120 PolarHBondContact O-NE2 2.86Å
27P91.6Very high89.8Confident93 Ų9370.8 Ų70.860%0.60436%0.357SS*.Hα-helixtrans-61.1-27.6178.6-23.233.9000114E30 E31P27-E30 WeakPolarHBondContact O-CB 3.44Å; P27-E30 PolarHBondContact O-N 3.44Å; P27-E31 PolarHBondContact O-N 3.13Å
28Q91.5Very high90.3Very high148 Ų14869.7 Ų69.769%0.69235%0.347SS*.Hα-helixtrans-70.1-45.6178.8-65.9-173.3-30.400110.7D26 E30 E31 E32D26-Q28 PolarHBondContact O-N 3.49Å; D26-Q28 WeakPolarHBondContact OD1-CB 3.28Å; D26-Q28 PolarHBondContact OD1-N 2.87Å; Q28-E30 PolarHBondContact O-N 3.15Å; Q28-E31 PolarHBondContact O-N 3.39Å; Q28-E31 VanDerWaalsContact O-N 3.13Å; Q28-E32 PolarHBondContact O-N 2.99Å; Q28-E32 VanDerWaalsContact O-N 3.09Å
29K91.1Very high90.7Very high91 Ų9167.5 Ų67.540%0.39634%0.34SS..Hα-helixtrans-64.5-28.7175-67-175.7-175.6179.80112.7D26 L33 I124D26-K29 HydrophobicContact CB-CB 4.15Å; D26-K29 HydrophobicContact CB-CD 4.11Å; D26-K29 HydrophobicContact CB-CG 4.1Å; D26-K29 PolarHBondContact O-N 3.37Å; K29-L33 VanDerWaalsContact O-CB 3.31Å; K29-L33 WeakPolarHBondContact O-CB 3.38Å; K29-L33 VanDerWaalsContact O-CG 3.27Å; K29-L33 WeakPolarHBondContact O-CG 3.3Å; K29-L33 PolarHBondContact O-N 3.22Å; K29-I124 HydrophobicContact CB-CD1 4.27Å; K29-I124 HydrophobicContact CD-CD1 3.79Å
30E92.8Very high91.1Very high34 Ų3465.1 Ų65.116%0.15932%0.323CS..Hα-helixtrans-60.9-46.7172.1-172-166.3118.100111.2Y25 D26 P27 Q28 L33 R34 F49Y25-E30 HydrophobicContact CE1-CB 4.41Å; Y25-E30 VanDerWaalsContact CE1-OE2 3.26Å; Y25-E30 WeakPolarHBondContact CE1-OE2 3.48Å; Y25-E30 VanDerWaalsContact CZ-OE2 3.27Å; Y25-E30 VanDerWaalsContact OH-CD 3.28Å; Y25-E30 WeakPolarHBondContact OH-CG 3.39Å; Y25-E30 PolarHBondContact OH-OE2 3.41Å; D26-E30 PolarHBondContact O-N 3.1Å; D26-E30 VanDerWaalsContact O-N 3.13Å; P27-E30 WeakPolarHBondContact O-CB 3.44Å; P27-E30 PolarHBondContact O-N 3.44Å; Q28-E30 PolarHBondContact O-N 3.15Å; E30-L33 PolarHBondContact O-N 3Å; E30-R34 WeakPolarHBondContact O-CB 3.49Å; E30-R34 PolarHBondContact O-N 2.86Å; E30-R34 IonicContact OE1-CZ 2.63Å; E30-R34 IonicContact OE1-NH2 2.6Å; E30-R34 PolarHBondContact OE1-NH2 3.21Å; E30-F49 HydrophobicContact CG-CB 3.95Å; E30-F49 HydrophobicContact CG-CD1 3.46Å; E30-F49 VanDerWaalsContact CG-CD1 3.46Å; E30-F49 HydrophobicContact CG-CE1 4.13Å; E30-F49 HydrophobicContact CG-CG 3.86Å; E30-F49 WeakPolarHBondContact OE1-CB 3.41Å
31E92.4Very high91.4Very high81 Ų8161.2 Ų61.238%0.37931%0.308SS..Hα-helixtrans-65.7-41.9178.8-175.259.5-157.700111.5P27 Q28 L33 R34 L35P27-E31 PolarHBondContact O-N 3.13Å; Q28-E31 PolarHBondContact O-N 3.39Å; Q28-E31 VanDerWaalsContact O-N 3.13Å; E31-L33 PolarHBondContact O-N 2.96Å; E31-R34 VanDerWaalsContact O-CB 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.45Å; E31-R34 PolarHBondContact O-N 3.46Å; E31-R34 WeakPolarHBondContact OE2-CD 3.45Å; E31-R34 IonicContact OE2-CZ 2.71Å; E31-R34 IonicContact OE2-NE 2.82Å; E31-R34 PolarHBondContact OE2-NE 3.44Å; E31-R34 IonicContact OE2-NH1 3.92Å; E31-R34 PolarHBondContact OE2-NH1 3.4Å; E31-R34 IonicContact OE2-NH2 2.9Å; E31-L35 WeakPolarHBondContact O-CG 3.39Å; E31-L35 PolarHBondContact O-N 3.14Å
32E92.1Very high91.7Very high94 Ų9462.1 Ų62.144%0.43933%0.329SS..Hα-helixtrans-63.3-41.6175.7-63.4175.6160.500112Q28 R34 L35 W36 M141Q28-E32 PolarHBondContact O-N 2.99Å; Q28-E32 VanDerWaalsContact O-N 3.09Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 2.73Å; E32-L35 PolarHBondContact O-N 3.26Å; E32-W36 WeakPolarHBondContact O-CB 3.3Å; E32-W36 PolarHBondContact O-N 3.3Å; E32-M141 HydrophobicContact CB-CE 3.28Å; E32-M141 HydrophobicContact CB-CG 4.34Å; E32-M141 HydrophobicContact CB-SD 3.42Å; E32-M141 WeakPolarHBondContact CB-SD 3.46Å; E32-M141 HydrophobicContact CG-CE 4.37Å; E32-M141 HydrophobicContact CG-SD 4.17Å; E32-M141 WeakPolarHBondContact OE2-CE 3.43Å
33L93.6Very high92Very high0 Ų063 Ų630%032%0.321CS..Hα-helixtrans-61.4-41173.8-82.4176.9000111.4K29 E30 E31 W36 I37 F49 Q120 L123 I124 M141K29-L33 VanDerWaalsContact O-CB 3.31Å; K29-L33 WeakPolarHBondContact O-CB 3.38Å; K29-L33 VanDerWaalsContact O-CG 3.27Å; K29-L33 WeakPolarHBondContact O-CG 3.3Å; K29-L33 PolarHBondContact O-N 3.22Å; E30-L33 PolarHBondContact O-N 3Å; E31-L33 PolarHBondContact O-N 2.96Å; L33-W36 PolarHBondContact O-N 3.36Å; L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 3Å; L33-F49 HydrophobicContact CB-CZ 4.1Å; L33-Q120 HydrophobicContact CD1-CG 3.81Å; L33-L123 HydrophobicContact CD1-CB 4.02Å; L33-L123 HydrophobicContact CD1-CD1 4.47Å; L33-L123 HydrophobicContact CD2-CB 3.78Å; L33-I124 HydrophobicContact CD1-CG1 4.03Å; L33-I124 HydrophobicContact CD2-CG1 3.99Å; L33-I124 HydrophobicContact CG-CG1 4.11Å; L33-M141 HydrophobicContact CD2-CE 4.21Å; L33-M141 HydrophobicContact CG-CE 4.09Å
34R93.6Very high92.1Very high19 Ų1965 Ų657%0.07233%0.328CS..Hα-helixtrans-58.9-52.4176.2-175.9-172-54.6-177.9-9.6110.3E30 E31 E32 W36 I37 Q38 I45 D47 F49E30-R34 WeakPolarHBondContact O-CB 3.49Å; E30-R34 PolarHBondContact O-N 2.86Å; E30-R34 IonicContact OE1-CZ 2.63Å; E30-R34 IonicContact OE1-NH2 2.6Å; E30-R34 PolarHBondContact OE1-NH2 3.21Å; E31-R34 VanDerWaalsContact O-CB 3.31Å; E31-R34 WeakPolarHBondContact O-CB 3.45Å; E31-R34 PolarHBondContact O-N 3.46Å; E31-R34 WeakPolarHBondContact OE2-CD 3.45Å; E31-R34 IonicContact OE2-CZ 2.71Å; E31-R34 IonicContact OE2-NE 2.82Å; E31-R34 PolarHBondContact OE2-NE 3.44Å; E31-R34 IonicContact OE2-NH1 3.92Å; E31-R34 PolarHBondContact OE2-NH1 3.4Å; E31-R34 IonicContact OE2-NH2 2.9Å; E32-R34 VanDerWaalsContact C-N 3.3Å; E32-R34 PolarHBondContact O-N 2.73Å; R34-W36 VanDerWaalsContact C-N 3.3Å; R34-W36 PolarHBondContact O-N 2.95Å; R34-I37 PolarHBondContact O-N 3.45Å; R34-Q38 WeakPolarHBondContact O-CB 3.46Å; R34-Q38 WeakPolarHBondContact O-CG 3.29Å; R34-Q38 PolarHBondContact O-N 3.14Å; R34-I45 HydrophobicContact CG-CB 4.23Å; R34-D47 IonicContact CZ-OD1 3.47Å; R34-D47 IonicContact NH1-OD1 2.75Å; R34-D47 PolarHBondContact NH1-OD1 3.43Å; R34-D47 IonicContact NH1-OD2 3.13Å; R34-D47 IonicContact NH2-OD1 2.79Å; R34-D47 PolarHBondContact NH2-OD1 3.34Å; R34-F49 HydrophobicContact CB-CD2 3.81Å; R34-F49 HydrophobicContact CB-CE2 3.86Å; R34-F49 HydrophobicContact CG-CD2 3.94Å; R34-F49 HydrophobicContact CG-CE2 4.28Å
35L93Very high92.2Very high59 Ų5958.2 Ų58.231%0.30930%0.298SS..Hα-helixtrans-59.5-40.8177.8-66.8174.5000112.3E31 E32 Q38 D39 H139E31-L35 WeakPolarHBondContact O-CG 3.39Å; E31-L35 PolarHBondContact O-N 3.14Å; E32-L35 PolarHBondContact O-N 3.26Å; L35-Q38 PolarHBondContact O-N 3.41Å; L35-D39 WeakPolarHBondContact O-CB 3.45Å; L35-D39 PolarHBondContact O-N 3.34Å; L35-H139 HydrophobicContact CB-CB 4.41Å
36W93.1Very high92.1Very high3 Ų358.9 Ų58.91%0.01131%0.313CS..Hα-helixtrans-63.1-51.1176.6178.674000112.2E32 L33 R34 Q38 D39 V40 L62 L66 L126 A127 A130 S137 H139 M141E32-W36 WeakPolarHBondContact O-CB 3.3Å; E32-W36 PolarHBondContact O-N 3.3Å; L33-W36 PolarHBondContact O-N 3.36Å; R34-W36 VanDerWaalsContact C-N 3.3Å; R34-W36 PolarHBondContact O-N 2.95Å; W36-Q38 VanDerWaalsContact C-N 3.29Å; W36-Q38 PolarHBondContact O-N 3.19Å; W36-D39 PolarHBondContact O-N 2.86Å; W36-V40 HydrophobicContact CD2-CG2 4.18Å; W36-V40 HydrophobicContact CG-CG2 4.4Å; W36-V40 HydrophobicContact CZ2-CG2 4.07Å; W36-V40 VanDerWaalsContact O-CG2 3.22Å; W36-V40 WeakPolarHBondContact O-CG2 3.49Å; W36-V40 PolarHBondContact O-N 2.88Å; W36-L62 HydrophobicContact CH2-CD1 3.91Å; W36-L62 HydrophobicContact CH2-CD2 4.24Å; W36-L62 HydrophobicContact CH2-CG 4.46Å; W36-L62 HydrophobicContact CZ3-CD1 3.94Å; W36-L62 HydrophobicContact CZ3-CD2 3.87Å; W36-L62 HydrophobicContact CZ3-CG 4.45Å; W36-L66 HydrophobicContact CH2-CD1 4.12Å; W36-L66 HydrophobicContact CZ2-CD1 4.41Å; W36-L126 HydrophobicContact CH2-CG 4.48Å; W36-A127 HydrophobicContact CD2-CB 3.99Å; W36-A127 HydrophobicContact CE3-CB 4.18Å; W36-A127 HydrophobicContact CH2-CB 3.95Å; W36-A127 HydrophobicContact CZ2-CB 3.73Å; W36-A127 HydrophobicContact CZ3-CB 4.17Å; W36-A130 HydrophobicContact CZ2-CB 4.42Å; W36-S137 PolarHBondContact NE1-OG 3.09Å; W36-H139 HydrophobicContact CB-CB 4.49Å; W36-M141 HydrophobicContact CB-CG 4.17Å; W36-M141 HydrophobicContact CG-CB 4.38Å; W36-M141 HydrophobicContact CG-CG 4.49Å
37I93.8Very high91.8Very high0 Ų062 Ų620%033%0.33CS..Hα-helixtrans-62.4-38.8178.7-62.9175.2000110.6L33 R34 V40 T41 I45 F49 I58 L62 L123L33-I37 VanDerWaalsContact O-CG1 3.29Å; L33-I37 WeakPolarHBondContact O-CG1 3.29Å; L33-I37 PolarHBondContact O-N 3Å; R34-I37 PolarHBondContact O-N 3.45Å; I37-V40 PolarHBondContact O-N 3.22Å; I37-T41 HydrophobicContact CG2-CG2 4.03Å; I37-T41 WeakPolarHBondContact O-CB 3.22Å; I37-T41 WeakPolarHBondContact O-CG2 3.29Å; I37-T41 PolarHBondContact O-N 3Å; I37-T41 PolarHBondContact O-OG1 3.29Å; I37-I45 HydrophobicContact CB-CD1 3.95Å; I37-I45 HydrophobicContact CG2-CD1 3.68Å; I37-F49 HydrophobicContact CD1-CE2 4.14Å; I37-F49 HydrophobicContact CD1-CZ 3.87Å; I37-I58 HydrophobicContact CG2-CG2 3.66Å; I37-L62 HydrophobicContact CD1-CD2 4.34Å; I37-L62 HydrophobicContact CG1-CD1 4.48Å; I37-L62 HydrophobicContact CG1-CD2 4.13Å; I37-L62 HydrophobicContact CG2-CD1 4.46Å; I37-L123 HydrophobicContact CD1-CD1 4.31Å
38Q94.1Very high91.7Very high51 Ų5161.5 Ų61.524%0.23833%0.326CS..Hα-helixtrans-63.7-40.5176.6-68.9-172.415.400112.2R34 L35 W36 G42 K43 I45R34-Q38 WeakPolarHBondContact O-CB 3.46Å; R34-Q38 WeakPolarHBondContact O-CG 3.29Å; R34-Q38 PolarHBondContact O-N 3.14Å; L35-Q38 PolarHBondContact O-N 3.41Å; W36-Q38 VanDerWaalsContact C-N 3.29Å; W36-Q38 PolarHBondContact O-N 3.19Å; Q38-G42 WeakPolarHBondContact O-CA 3.43Å; Q38-G42 PolarHBondContact O-N 2.77Å; Q38-K43 WeakPolarHBondContact CA-O 3.36Å; Q38-K43 WeakPolarHBondContact CB-O 3.31Å; Q38-K43 WeakPolarHBondContact CG-O 3.2Å; Q38-I45 HydrophobicContact CG-CB 4.33Å; Q38-I45 HydrophobicContact CG-CD1 4.18Å; Q38-I45 HydrophobicContact CG-CG1 3.97Å; Q38-I45 VanDerWaalsContact NE2-N 3.14Å; Q38-I45 PolarHBondContact NE2-O 2.85Å
39D92.6Very high91.8Very high58 Ų5854.5 Ų54.531%0.3129%0.294SS..Hα-helixtrans-67.6-40.6176.9-168.459000111.6L35 W36 S137 K138L35-D39 WeakPolarHBondContact O-CB 3.45Å; L35-D39 PolarHBondContact O-N 3.34Å; W36-D39 PolarHBondContact O-N 2.86Å; D39-S137 WeakPolarHBondContact OD2-CB 3.31Å; D39-K138 PolarHBondContact OD2-N 3.33Å
40V92.8Very high91.8Very high16 Ų1650.4 Ų50.410%0.09728%0.276CS..Hα-helixtrans-74.3-38.7-178.3177.60000112.8W36 I37 L62 T65 L66 F135W36-V40 HydrophobicContact CD2-CG2 4.18Å; W36-V40 HydrophobicContact CG-CG2 4.4Å; W36-V40 HydrophobicContact CZ2-CG2 4.07Å; W36-V40 VanDerWaalsContact O-CG2 3.22Å; W36-V40 WeakPolarHBondContact O-CG2 3.49Å; W36-V40 PolarHBondContact O-N 2.88Å; I37-V40 PolarHBondContact O-N 3.22Å; V40-L62 HydrophobicContact CB-CD1 3.9Å; V40-L62 HydrophobicContact CG1-CD1 3.53Å; V40-T65 VanDerWaalsContact CG1-OG1 3.3Å; V40-T65 WeakPolarHBondContact CG1-OG1 3.46Å; V40-L66 HydrophobicContact CG1-CD2 4.04Å; V40-L66 HydrophobicContact CG1-CG 4.31Å; V40-F135 HydrophobicContact CG1-CE1 4.26Å; V40-F135 HydrophobicContact CG1-CZ 4.05Å; V40-F135 HydrophobicContact CG2-CE1 3.86Å; V40-F135 HydrophobicContact CG2-CZ 4.39Å
41T92.3Very high91.7Very high25 Ų2552.9 Ų52.915%0.15329%0.287CS..Hα-helixtrans-96.4-19-176.9630000113.5I37 K43 L62I37-T41 HydrophobicContact CG2-CG2 4.03Å; I37-T41 WeakPolarHBondContact O-CB 3.22Å; I37-T41 WeakPolarHBondContact O-CG2 3.29Å; I37-T41 PolarHBondContact O-N 3Å; I37-T41 PolarHBondContact O-OG1 3.29Å; T41-K43 PolarHBondContact O-N 3.35Å; T41-K43 PolarHBondContact OG1-N 3.45Å; T41-L62 HydrophobicContact CG2-CB 3.91Å; T41-L62 HydrophobicContact CG2-CD1 4.11Å
42G90.7Very high91.8Very high68 Ų6851.4 Ų51.470%0.70128%0.282SS*.  trans70.95.3-172.500000114.5Q38Q38-G42 WeakPolarHBondContact O-CA 3.43Å; Q38-G42 PolarHBondContact O-N 2.77Å
43K89.8Confident91.9Very high82 Ų8247 Ų4736%0.35726%0.261SS..  trans-96142.9-180-68.8-167.8173.7-175.40111.1Q38 T41 E61Q38-K43 WeakPolarHBondContact CA-O 3.36Å; Q38-K43 WeakPolarHBondContact CB-O 3.31Å; Q38-K43 WeakPolarHBondContact CG-O 3.2Å; T41-K43 PolarHBondContact O-N 3.35Å; T41-K43 PolarHBondContact OG1-N 3.45Å; K43-E61 VanDerWaalsContact CD-OE2 3.26Å; K43-E61 WeakPolarHBondContact CD-OE2 3.36Å; K43-E61 WeakPolarHBondContact CE-OE1 3.43Å; K43-E61 WeakPolarHBondContact CE-OE2 3.45Å; K43-E61 IonicContact NZ-OE1 2.68Å; K43-E61 PolarHBondContact NZ-OE1 3.32Å; K43-E61 IonicContact NZ-OE2 3.32Å; K43-E61 PolarHBondContact NZ-OE2 2.71Å
44K89.5Confident91.9Very high195 Ų19547.8 Ų47.885%0.84827%0.265SS*.  trans-81.5133.4171.8-68-175.1178.2-177.30110
45I91.3Very high91.9Very high9 Ų949.7 Ų49.75%0.04628%0.277CS..  trans-109.8122.2176.7-55.2175.2000107.5R34 I37 Q38 F49 N52 I58R34-I45 HydrophobicContact CG-CB 4.23Å; I37-I45 HydrophobicContact CB-CD1 3.95Å; I37-I45 HydrophobicContact CG2-CD1 3.68Å; Q38-I45 HydrophobicContact CG-CB 4.33Å; Q38-I45 HydrophobicContact CG-CD1 4.18Å; Q38-I45 HydrophobicContact CG-CG1 3.97Å; Q38-I45 VanDerWaalsContact NE2-N 3.14Å; Q38-I45 PolarHBondContact NE2-O 2.85Å; I45-F49 HydrophobicContact CD1-CD2 4.45Å; I45-F49 HydrophobicContact CD1-CE2 4.05Å; I45-F49 HydrophobicContact CG2-CD2 3.87Å; I45-F49 HydrophobicContact CG2-CE2 4.48Å; I45-N52 HydrophobicContact CG2-CB 3.66Å; I45-I58 HydrophobicContact CD1-CG2 4.35Å; I45-I58 HydrophobicContact CG1-CD1 4.21Å
46A89.6Confident91.9Very high59 Ų5946.9 Ų46.949%0.48826%0.262SS..PPolyproline II helixtrans-84.8166.3178.500000111.7P48 N52A46-P48 CarbonylContact O-C 3.4Å; A46-N52 PolarHBondContact O-ND2 2.88Å
47D87.2Confident92Very high118 Ų11847.4 Ų47.463%0.63127%0.266SS*.SBendtrans-78.3140.6168.5-72.1-59.3000110.9R34R34-D47 IonicContact CZ-OD1 3.47Å; R34-D47 IonicContact NH1-OD1 2.75Å; R34-D47 PolarHBondContact NH1-OD1 3.43Å; R34-D47 IonicContact NH1-OD2 3.13Å; R34-D47 IonicContact NH2-OD1 2.79Å; R34-D47 PolarHBondContact NH2-OD1 3.34Å
48P89.9Confident92.1Very high81 Ų8148.2 Ų48.253%0.52627%0.27SS..SBendcis-80.7139.6-4.430.2-32.4000113.2A46 M50 E51 N52A46-P48 CarbonylContact O-C 3.4Å; P48-M50 PolarHBondContact O-N 3.41Å; P48-E51 HydrophobicContact CB-CG 4.45Å; P48-E51 HydrophobicContact CG-CB 3.95Å; P48-E51 HydrophobicContact CG-CG 3.56Å; P48-E51 PolarHBondContact O-N 2.79Å; P48-N52 PolarHBondContact O-ND2 3.13Å
49F91.8Very high92.2Very high1 Ų145.8 Ų45.80%0.00426%0.258CS..Hα-helixtrans-53-51.1-175.1174.4-111.3000113.8E30 L33 R34 I37 I45 E51 N52 L53E30-F49 HydrophobicContact CG-CB 3.95Å; E30-F49 HydrophobicContact CG-CD1 3.46Å; E30-F49 VanDerWaalsContact CG-CD1 3.46Å; E30-F49 HydrophobicContact CG-CE1 4.13Å; E30-F49 HydrophobicContact CG-CG 3.86Å; E30-F49 WeakPolarHBondContact OE1-CB 3.41Å; L33-F49 HydrophobicContact CB-CZ 4.1Å; R34-F49 HydrophobicContact CB-CD2 3.81Å; R34-F49 HydrophobicContact CB-CE2 3.86Å; R34-F49 HydrophobicContact CG-CD2 3.94Å; R34-F49 HydrophobicContact CG-CE2 4.28Å; I37-F49 HydrophobicContact CD1-CE2 4.14Å; I37-F49 HydrophobicContact CD1-CZ 3.87Å; I45-F49 HydrophobicContact CD1-CD2 4.45Å; I45-F49 HydrophobicContact CD1-CE2 4.05Å; I45-F49 HydrophobicContact CG2-CD2 3.87Å; I45-F49 HydrophobicContact CG2-CE2 4.48Å; F49-E51 VanDerWaalsContact C-N 3.33Å; F49-E51 PolarHBondContact O-N 3.35Å; F49-N52 PolarHBondContact O-N 3.46Å; F49-N52 VanDerWaalsContact O-N 3.17Å; F49-L53 HydrophobicContact CD1-CD1 4.29Å; F49-L53 HydrophobicContact CE1-CD1 3.68Å; F49-L53 HydrophobicContact CE2-CD1 4.1Å; F49-L53 HydrophobicContact CZ-CD1 3.58Å; F49-L53 HydrophobicContact CZ-CG 4.47Å; F49-L53 PolarHBondContact O-N 3.48Å
50M92.1Very high92.4Very high6 Ų643 Ų433%0.0324%0.243CC..Hα-helixtrans-63.6-36.3-175.3-72.5-65.4179.300113.1Y25 P48 N52 L53 K54 L110 Y116 V119 Q120Y25-M50 HydrophobicContact CE2-CE 3.68Å; Y25-M50 VanDerWaalsContact OH-CE 3.25Å; Y25-M50 WeakPolarHBondContact OH-CE 3.5Å; P48-M50 PolarHBondContact O-N 3.41Å; M50-N52 VanDerWaalsContact C-N 3.26Å; M50-N52 PolarHBondContact O-N 3.34Å; M50-L53 PolarHBondContact O-N 3.47Å; M50-L53 VanDerWaalsContact O-N 3.13Å; M50-K54 WeakPolarHBondContact O-CG 3.39Å; M50-K54 PolarHBondContact O-N 3.03Å; M50-L110 HydrophobicContact SD-CD1 4.08Å; M50-Y116 HydrophobicContact CB-CD1 4.38Å; M50-Y116 HydrophobicContact CB-CD2 4.25Å; M50-Y116 HydrophobicContact CB-CE1 3.95Å; M50-Y116 HydrophobicContact CB-CE2 3.8Å; M50-Y116 HydrophobicContact CB-CG 4.5Å; M50-Y116 HydrophobicContact CG-CD1 4.15Å; M50-Y116 HydrophobicContact CG-CD2 3.87Å; M50-Y116 HydrophobicContact CG-CE1 4.23Å; M50-Y116 HydrophobicContact CG-CE2 3.95Å; M50-Y116 HydrophobicContact CG-CG 3.95Å; M50-Y116 HydrophobicContact SD-CD1 4.25Å; M50-Y116 HydrophobicContact SD-CG 4.33Å; M50-V119 HydrophobicContact CE-CB 4.39Å; M50-V119 HydrophobicContact CE-CG1 4.37Å; M50-V119 HydrophobicContact SD-CG1 4.21Å; M50-Q120 HydrophobicContact CE-CB 4.33Å
51E91.4Very high92.6Very high85 Ų8544.6 Ų44.640%0.39725%0.25SC..Hα-helixtrans-67.2-29.4179.3-61.7-67.114200111.9P48 F49 L53 K54 N113 Y116P48-E51 HydrophobicContact CB-CG 4.45Å; P48-E51 HydrophobicContact CG-CB 3.95Å; P48-E51 HydrophobicContact CG-CG 3.56Å; P48-E51 PolarHBondContact O-N 2.79Å; F49-E51 VanDerWaalsContact C-N 3.33Å; F49-E51 PolarHBondContact O-N 3.35Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 3.43Å; E51-K54 VanDerWaalsContact CD-CE 3.41Å; E51-K54 PolarHBondContact O-N 2.94Å; E51-K54 VanDerWaalsContact OE1-CE 3.22Å; E51-K54 WeakPolarHBondContact OE1-CE 3.31Å; E51-K54 IonicContact OE1-NZ 3.05Å; E51-K54 PolarHBondContact OE1-NZ 2.92Å; E51-K54 VanDerWaalsContact OE2-CD 3.32Å; E51-K54 WeakPolarHBondContact OE2-CD 3.32Å; E51-K54 VanDerWaalsContact OE2-CE 3.25Å; E51-K54 WeakPolarHBondContact OE2-CE 3.43Å; E51-K54 IonicContact OE2-NZ 3.68Å; E51-K54 PolarHBondContact OE2-NZ 3.38Å; E51-N113 PolarHBondContact OE1-ND2 3.32Å; E51-Y116 PolarHBondContact OE1-OH 3.25Å; E51-Y116 VanDerWaalsContact OE1-OH 3.09Å
52N93.1Very high92.7Very high51 Ų5143.4 Ų43.427%0.27324%0.242SC..Hα-helixtrans-73.7-20.2176-75.6-101.2000112.7I45 A46 P48 F49 M50I45-N52 HydrophobicContact CG2-CB 3.66Å; A46-N52 PolarHBondContact O-ND2 2.88Å; P48-N52 PolarHBondContact O-ND2 3.13Å; F49-N52 PolarHBondContact O-N 3.46Å; F49-N52 VanDerWaalsContact O-N 3.17Å; M50-N52 VanDerWaalsContact C-N 3.26Å; M50-N52 PolarHBondContact O-N 3.34Å
53L94.1Very high93Very high0 Ų040.1 Ų40.10%021%0.209CC..Hα-helixtrans-88.5-14.2176.7-63-177.3000113.2F49 M50 E51 D55 G56 I58 L59 L110 L123F49-L53 HydrophobicContact CD1-CD1 4.29Å; F49-L53 HydrophobicContact CE1-CD1 3.68Å; F49-L53 HydrophobicContact CE2-CD1 4.1Å; F49-L53 HydrophobicContact CZ-CD1 3.58Å; F49-L53 HydrophobicContact CZ-CG 4.47Å; F49-L53 PolarHBondContact O-N 3.48Å; M50-L53 PolarHBondContact O-N 3.47Å; M50-L53 VanDerWaalsContact O-N 3.13Å; E51-L53 VanDerWaalsContact C-N 3.28Å; E51-L53 PolarHBondContact O-N 3.43Å; L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 2.95Å; L53-G56 PolarHBondContact O-N 3.34Å; L53-I58 HydrophobicContact CD2-CB 4.05Å; L53-I58 HydrophobicContact CD2-CG2 3.82Å; L53-L59 HydrophobicContact CB-CG 4.48Å; L53-L59 HydrophobicContact CD1-CD2 4.32Å; L53-L59 HydrophobicContact CD2-CD2 4.02Å; L53-L59 HydrophobicContact CD2-CG 4.33Å; L53-L110 HydrophobicContact CB-CD1 4.32Å; L53-L110 HydrophobicContact CB-CD2 4.06Å; L53-L110 WeakPolarHBondContact O-CD2 2.86Å; L53-L123 HydrophobicContact CD1-CD1 4.05Å
54K93.6Very high93.3Very high18 Ų1838.1 Ų38.18%0.07820%0.202CC..THydrogen-bonded Turntrans-64.5-27.9-172.5-79-173.2177-175.90115.7M50 E51 G56 I87 L110 N113 Y116M50-K54 WeakPolarHBondContact O-CG 3.39Å; M50-K54 PolarHBondContact O-N 3.03Å; E51-K54 VanDerWaalsContact CD-CE 3.41Å; E51-K54 PolarHBondContact O-N 2.94Å; E51-K54 VanDerWaalsContact OE1-CE 3.22Å; E51-K54 WeakPolarHBondContact OE1-CE 3.31Å; E51-K54 IonicContact OE1-NZ 3.05Å; E51-K54 PolarHBondContact OE1-NZ 2.92Å; E51-K54 VanDerWaalsContact OE2-CD 3.32Å; E51-K54 WeakPolarHBondContact OE2-CD 3.32Å; E51-K54 VanDerWaalsContact OE2-CE 3.25Å; E51-K54 WeakPolarHBondContact OE2-CE 3.43Å; E51-K54 IonicContact OE2-NZ 3.68Å; E51-K54 PolarHBondContact OE2-NZ 3.38Å; K54-G56 PolarHBondContact O-N 2.88Å; K54-I87 WeakPolarHBondContact O-CD1 3.37Å; K54-L110 WeakPolarHBondContact CE-O 3.1Å; K54-L110 HydrophobicContact CG-CD1 4.27Å; K54-L110 HydrophobicContact CG-CG 4.29Å; K54-N113 WeakPolarHBondContact CE-OD1 3.44Å; K54-N113 VanDerWaalsContact NZ-CG 3.33Å; K54-N113 PolarHBondContact NZ-ND2 3.12Å; K54-N113 VanDerWaalsContact NZ-ND2 3.19Å; K54-N113 PolarHBondContact NZ-OD1 3.35Å; K54-Y116 WeakPolarHBondContact CE-OH 3.43Å
55D93.3Very high93.6Very high58 Ų5831.8 Ų31.831%0.3118%0.18SC..THydrogen-bonded Turntrans-72.9-12.7176.3684.8000112.3L53 V57 Q83 N86L53-D55 VanDerWaalsContact C-N 3.3Å; L53-D55 PolarHBondContact O-N 2.95Å; D55-V57 HydrophobicContact CB-CG2 4.21Å; D55-V57 PolarHBondContact O-N 3.21Å; D55-V57 PolarHBondContact OD1-N 3.45Å; D55-Q83 HydrophobicContact CB-CG 4.31Å; D55-N86 WeakPolarHBondContact O-CB 3.26Å; D55-N86 PolarHBondContact O-ND2 2.66Å
56G94.2Very high93.7Very high0 Ų032.2 Ų32.20%018%0.182CC..SBendtrans69.71.6-177.500000114.4L53 K54 C60L53-G56 PolarHBondContact O-N 3.34Å; K54-G56 PolarHBondContact O-N 2.88Å; G56-C60 WeakPolarHBondContact O-CB 3.31Å; G56-C60 PolarHBondContact O-N 2.91Å; G56-C60 PolarHBondContact O-SG 3.36Å
57V95.5Very high93.8Very high15 Ų1532.6 Ų32.69%0.09117%0.174CC..Hα-helixtrans-69.4-51.3-175.6174.80000109.9D55 L59 C60 E61 I74 T76D55-V57 HydrophobicContact CB-CG2 4.21Å; D55-V57 PolarHBondContact O-N 3.21Å; D55-V57 PolarHBondContact OD1-N 3.45Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 PolarHBondContact O-N 2.95Å; V57-C60 PolarHBondContact O-N 3.17Å; V57-E61 WeakPolarHBondContact O-CG 3.05Å; V57-E61 PolarHBondContact O-N 3.3Å; V57-I74 HydrophobicContact CB-CG2 4.26Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å; V57-I74 HydrophobicContact CG2-CG2 4.1Å; V57-T76 HydrophobicContact CG2-CG2 4.5Å
58I95.8Very high94.2Very high16 Ų1632.3 Ų32.38%0.08218%0.179CC..Hα-helixtrans-60.8-38178.5-65.3173.5000110.8I37 I45 L53 E61 L62I37-I58 HydrophobicContact CG2-CG2 3.66Å; I45-I58 HydrophobicContact CD1-CG2 4.35Å; I45-I58 HydrophobicContact CG1-CD1 4.21Å; L53-I58 HydrophobicContact CD2-CB 4.05Å; L53-I58 HydrophobicContact CD2-CG2 3.82Å; I58-E61 PolarHBondContact O-N 3.37Å; I58-L62 VanDerWaalsContact O-CB 3.29Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 PolarHBondContact O-N 2.9Å
59L96.5Very high94.3Very high0 Ų031.5 Ų31.50%018%0.184CC..Hα-helixtrans-65.4-45.1177.6-64.7-180000111.9L53 V57 E61 L62 I63 F90 F105 L110 L123L53-L59 HydrophobicContact CB-CG 4.48Å; L53-L59 HydrophobicContact CD1-CD2 4.32Å; L53-L59 HydrophobicContact CD2-CD2 4.02Å; L53-L59 HydrophobicContact CD2-CG 4.33Å; V57-L59 VanDerWaalsContact C-N 3.25Å; V57-L59 PolarHBondContact O-N 2.95Å; L59-E61 VanDerWaalsContact C-N 3.3Å; L59-E61 PolarHBondContact O-N 3.17Å; L59-L62 WeakPolarHBondContact O-CB 3.46Å; L59-L62 PolarHBondContact O-N 2.82Å; L59-I63 PolarHBondContact O-N 2.94Å; L59-I63 VanDerWaalsContact O-N 3.13Å; L59-F90 HydrophobicContact CB-CB 4.07Å; L59-F90 HydrophobicContact CB-CD1 3.98Å; L59-F90 HydrophobicContact CB-CD2 3.77Å; L59-F90 HydrophobicContact CB-CE1 4.3Å; L59-F90 HydrophobicContact CB-CE2 4.11Å; L59-F90 HydrophobicContact CB-CG 3.67Å; L59-F90 HydrophobicContact CB-CZ 4.36Å; L59-F90 HydrophobicContact CD1-CD1 4.01Å; L59-F90 HydrophobicContact CD1-CE1 4.26Å; L59-F90 HydrophobicContact CD1-CG 4.48Å; L59-F90 HydrophobicContact CD2-CE1 4.08Å; L59-F90 HydrophobicContact CD2-CZ 4.08Å; L59-F90 HydrophobicContact CG-CD1 4.41Å; L59-F90 HydrophobicContact CG-CE1 4.46Å; L59-F90 WeakPolarHBondContact O-CD2 3.36Å; L59-F90 VanDerWaalsContact O-CE2 3.31Å; L59-F90 WeakPolarHBondContact O-CE2 3.39Å; L59-F105 HydrophobicContact CD1-CZ 4.29Å; L59-L110 HydrophobicContact CD1-CD2 3.62Å; L59-L123 HydrophobicContact CD2-CD2 4.05Å
60C96.7Very high94.4Very high0 Ų032.9 Ų32.90%020%0.195CC..Hα-helixtrans-63.6-37.7176.4-68.70000112.2G56 V57 I63 N64 V71 I74 N86G56-C60 WeakPolarHBondContact O-CB 3.31Å; G56-C60 PolarHBondContact O-N 2.91Å; G56-C60 PolarHBondContact O-SG 3.36Å; V57-C60 PolarHBondContact O-N 3.17Å; C60-I63 VanDerWaalsContact O-CG2 3.3Å; C60-I63 WeakPolarHBondContact O-CG2 3.46Å; C60-N64 WeakPolarHBondContact O-CB 3.42Å; C60-N64 PolarHBondContact O-N 2.68Å; C60-N64 VanDerWaalsContact O-N 3.15Å; C60-N64 PolarHBondContact O-ND2 2.94Å; C60-V71 HydrophobicContact CB-CB 4.34Å; C60-V71 HydrophobicContact CB-CG1 4.12Å; C60-V71 HydrophobicContact CB-CG2 4.31Å; C60-I74 HydrophobicContact CB-CD1 3.56Å; C60-I74 HydrophobicContact CB-CG1 3.69Å; C60-I74 HydrophobicContact CB-CG2 4.13Å; C60-N86 PolarHBondContact SG-O 3.35Å
61E95.5Very high94.6Very high49 Ų4933.1 Ų33.123%0.22920%0.196CC..Hα-helixtrans-68.7-42.1175.9-71.8172.1162.300112K43 V57 I58 L59 I63 N64 T65 I74K43-E61 VanDerWaalsContact CD-OE2 3.26Å; K43-E61 WeakPolarHBondContact CD-OE2 3.36Å; K43-E61 WeakPolarHBondContact CE-OE1 3.43Å; K43-E61 WeakPolarHBondContact CE-OE2 3.45Å; K43-E61 IonicContact NZ-OE1 2.68Å; K43-E61 PolarHBondContact NZ-OE1 3.32Å; K43-E61 IonicContact NZ-OE2 3.32Å; K43-E61 PolarHBondContact NZ-OE2 2.71Å; V57-E61 WeakPolarHBondContact O-CG 3.05Å; V57-E61 PolarHBondContact O-N 3.3Å; I58-E61 PolarHBondContact O-N 3.37Å; L59-E61 VanDerWaalsContact C-N 3.3Å; L59-E61 PolarHBondContact O-N 3.17Å; E61-I63 VanDerWaalsContact C-N 3.35Å; E61-I63 PolarHBondContact O-N 3.44Å; E61-N64 CarbonylContact O-C 3.34Å; E61-N64 PolarHBondContact O-N 3.31Å; E61-N64 VanDerWaalsContact O-N 3.1Å; E61-T65 WeakPolarHBondContact O-CG2 3.38Å; E61-T65 PolarHBondContact O-N 3.42Å; E61-T65 PolarHBondContact O-OG1 2.68Å; E61-I74 HydrophobicContact CG-CD1 3.79Å
62L95.8Very high94.6Very high0 Ų041 Ų410%022%0.223CC..Hα-helixtrans-54.5-49175.3174.868.2000111.6W36 I37 V40 T41 I58 L59 N64 T65 L66 F90 L123 L126W36-L62 HydrophobicContact CH2-CD1 3.91Å; W36-L62 HydrophobicContact CH2-CD2 4.24Å; W36-L62 HydrophobicContact CH2-CG 4.46Å; W36-L62 HydrophobicContact CZ3-CD1 3.94Å; W36-L62 HydrophobicContact CZ3-CD2 3.87Å; W36-L62 HydrophobicContact CZ3-CG 4.45Å; I37-L62 HydrophobicContact CD1-CD2 4.34Å; I37-L62 HydrophobicContact CG1-CD1 4.48Å; I37-L62 HydrophobicContact CG1-CD2 4.13Å; I37-L62 HydrophobicContact CG2-CD1 4.46Å; V40-L62 HydrophobicContact CB-CD1 3.9Å; V40-L62 HydrophobicContact CG1-CD1 3.53Å; T41-L62 HydrophobicContact CG2-CB 3.91Å; T41-L62 HydrophobicContact CG2-CD1 4.11Å; I58-L62 VanDerWaalsContact O-CB 3.29Å; I58-L62 WeakPolarHBondContact O-CB 3.37Å; I58-L62 PolarHBondContact O-N 2.9Å; L59-L62 WeakPolarHBondContact O-CB 3.46Å; L59-L62 PolarHBondContact O-N 2.82Å; L62-N64 VanDerWaalsContact C-N 3.3Å; L62-N64 PolarHBondContact O-N 3.21Å; L62-T65 PolarHBondContact O-N 3.4Å; L62-T65 PolarHBondContact O-OG1 3.05Å; L62-L66 HydrophobicContact CD1-CD1 4.4Å; L62-L66 HydrophobicContact CG-CD1 4.37Å; L62-L66 VanDerWaalsContact O-CG 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.46Å; L62-L66 VanDerWaalsContact O-N 3.09Å; L62-F90 HydrophobicContact CD2-CE2 4.46Å; L62-L123 HydrophobicContact CD2-CD2 4.4Å; L62-L126 HydrophobicContact CD2-CD2 4.24Å
63I96.4Very high94.6Very high0 Ų045.8 Ų45.80%024%0.241CC..Hα-helixtrans-71.5-28.5179.5-165.852.3000112.4L59 C60 E61 L66 Q67 V71 F90 A93 I94 Y97L59-I63 PolarHBondContact O-N 2.94Å; L59-I63 VanDerWaalsContact O-N 3.13Å; C60-I63 VanDerWaalsContact O-CG2 3.3Å; C60-I63 WeakPolarHBondContact O-CG2 3.46Å; E61-I63 VanDerWaalsContact C-N 3.35Å; E61-I63 PolarHBondContact O-N 3.44Å; I63-L66 HydrophobicContact CD1-CB 4.35Å; I63-L66 HydrophobicContact CD1-CD1 4.49Å; I63-L66 PolarHBondContact O-N 3.27Å; I63-Q67 CarbonylContact O-C 3.44Å; I63-Q67 PolarHBondContact O-N 3.33Å; I63-Q67 VanDerWaalsContact O-O 3.04Å; I63-V71 HydrophobicContact CG2-CG2 3.75Å; I63-F90 HydrophobicContact CB-CD2 3.98Å; I63-F90 HydrophobicContact CB-CE2 4.03Å; I63-F90 HydrophobicContact CG2-CD2 3.91Å; I63-F90 HydrophobicContact CG2-CE2 4.45Å; I63-A93 HydrophobicContact CB-CB 4.42Å; I63-A93 HydrophobicContact CG1-CB 3.74Å; I63-A93 HydrophobicContact CG2-CB 3.89Å; I63-I94 HydrophobicContact CB-CG2 4.46Å; I63-I94 HydrophobicContact CD1-CG2 3.92Å; I63-I94 HydrophobicContact CG1-CG2 4.06Å; I63-Y97 HydrophobicContact CD1-CD2 3.96Å; I63-Y97 HydrophobicContact CD1-CG 3.99Å
64N96Very high94.7Very high40 Ų4048 Ų4821%0.21425%0.252CS..Hα-helixtrans-72-29.9174.8-84.3-19.2000113.1C60 E61 L62 Q67 P68 S70 V71C60-N64 WeakPolarHBondContact O-CB 3.42Å; C60-N64 PolarHBondContact O-N 2.68Å; C60-N64 VanDerWaalsContact O-N 3.15Å; C60-N64 PolarHBondContact O-ND2 2.94Å; E61-N64 CarbonylContact O-C 3.34Å; E61-N64 PolarHBondContact O-N 3.31Å; E61-N64 VanDerWaalsContact O-N 3.1Å; L62-N64 VanDerWaalsContact C-N 3.3Å; L62-N64 PolarHBondContact O-N 3.21Å; N64-Q67 CarbonylContact O-C 3.57Å; N64-P68 VanDerWaalsContact O-CA 3.28Å; N64-P68 WeakPolarHBondContact O-CA 3.43Å; N64-S70 PolarHBondContact OD1-N 2.9Å; N64-S70 VanDerWaalsContact OD1-N 3.13Å; N64-V71 PolarHBondContact ND2-O 3.07Å; N64-V71 PolarHBondContact OD1-N 3.21Å; N64-V71 PolarHBondContact OD1-O 2.82Å
65T94.9Very high94.7Very high62 Ų6247.6 Ų47.638%0.3825%0.251SS..Hα-helixtrans-75.6-37172.255.50000111.5V40 E61 L62V40-T65 VanDerWaalsContact CG1-OG1 3.3Å; V40-T65 WeakPolarHBondContact CG1-OG1 3.46Å; E61-T65 WeakPolarHBondContact O-CG2 3.38Å; E61-T65 PolarHBondContact O-N 3.42Å; E61-T65 PolarHBondContact O-OG1 2.68Å; L62-T65 PolarHBondContact O-N 3.4Å; L62-T65 PolarHBondContact O-OG1 3.05Å
66L93.4Very high94.7Very high17 Ų1750.7 Ų50.79%0.08927%0.272CS..Hα-helixtrans-71-39.6175.5-67.4177.9000113.3W36 V40 L62 I63 Y97 L126 A130 F135W36-L66 HydrophobicContact CH2-CD1 4.12Å; W36-L66 HydrophobicContact CZ2-CD1 4.41Å; V40-L66 HydrophobicContact CG1-CD2 4.04Å; V40-L66 HydrophobicContact CG1-CG 4.31Å; L62-L66 HydrophobicContact CD1-CD1 4.4Å; L62-L66 HydrophobicContact CG-CD1 4.37Å; L62-L66 VanDerWaalsContact O-CG 3.29Å; L62-L66 WeakPolarHBondContact O-CG 3.48Å; L62-L66 PolarHBondContact O-N 3.46Å; L62-L66 VanDerWaalsContact O-N 3.09Å; I63-L66 HydrophobicContact CD1-CB 4.35Å; I63-L66 HydrophobicContact CD1-CD1 4.49Å; I63-L66 PolarHBondContact O-N 3.27Å; L66-Y97 HydrophobicContact CB-CE2 4.23Å; L66-L126 HydrophobicContact CD1-CD1 4.45Å; L66-L126 HydrophobicContact CD1-CD2 4.36Å; L66-L126 HydrophobicContact CD1-CG 4.3Å; L66-A130 HydrophobicContact CD1-CB 4.28Å; L66-A130 HydrophobicContact CD2-CB 3.89Å; L66-F135 HydrophobicContact CD2-CB 4.47Å; L66-F135 HydrophobicContact CD2-CD1 3.85Å; L66-F135 HydrophobicContact CD2-CD2 3.88Å; L66-F135 HydrophobicContact CD2-CE1 4.05Å; L66-F135 HydrophobicContact CD2-CE2 4.04Å; L66-F135 HydrophobicContact CD2-CG 3.78Å; L66-F135 HydrophobicContact CD2-CZ 4.12Å
67Q93Very high94.6Very high67 Ų6752.5 Ų52.531%0.31328%0.284SS..SBendtrans-141.6102.5176.1179.5174.1-42.200109.2I63 N64 G69 S70 Y97I63-Q67 CarbonylContact O-C 3.44Å; I63-Q67 PolarHBondContact O-N 3.33Å; I63-Q67 VanDerWaalsContact O-O 3.04Å; N64-Q67 CarbonylContact O-C 3.57Å; Q67-G69 PolarHBondContact O-N 2.92Å; Q67-S70 WeakPolarHBondContact CB-OG 3.32Å; Q67-S70 WeakPolarHBondContact CG-OG 3.41Å; Q67-S70 WeakPolarHBondContact O-CB 3.49Å; Q67-S70 PolarHBondContact O-N 3.03Å; Q67-S70 PolarHBondContact O-OG 3.42Å; Q67-Y97 HydrophobicContact CB-CD2 3.82Å; Q67-Y97 HydrophobicContact CB-CE2 3.83Å
68P94.2Very high94.3Very high113 Ų11357.1 Ų57.173%0.73432%0.315SS*.THydrogen-bonded Turntrans-54.6135.3180-2835.6000112.7N64N64-P68 VanDerWaalsContact O-CA 3.28Å; N64-P68 WeakPolarHBondContact O-CA 3.43Å
69G92.5Very high94.2Very high63 Ų6361 Ų6165%0.64933%0.333SS*.THydrogen-bonded Turntrans81.28.6177.300000115.4Q67Q67-G69 PolarHBondContact O-N 2.92Å
70S94.5Very high94.1Very high31 Ų3165.2 Ų65.222%0.21736%0.355CS..SBendtrans-63.8-39.6177.9-64.10000113.3N64 Q67N64-S70 PolarHBondContact OD1-N 2.9Å; N64-S70 VanDerWaalsContact OD1-N 3.13Å; Q67-S70 WeakPolarHBondContact CB-OG 3.32Å; Q67-S70 WeakPolarHBondContact CG-OG 3.41Å; Q67-S70 WeakPolarHBondContact O-CB 3.49Å; Q67-S70 PolarHBondContact O-N 3.03Å; Q67-S70 PolarHBondContact O-OG 3.42Å
71V95.6Very high93.9Very high11 Ų1172.1 Ų72.17%0.06738%0.381CS..  trans-121.6114.1175.2179.90000109C60 I63 N64 K73 I74 N89 A93C60-V71 HydrophobicContact CB-CB 4.34Å; C60-V71 HydrophobicContact CB-CG1 4.12Å; C60-V71 HydrophobicContact CB-CG2 4.31Å; I63-V71 HydrophobicContact CG2-CG2 3.75Å; N64-V71 PolarHBondContact ND2-O 3.07Å; N64-V71 PolarHBondContact OD1-N 3.21Å; N64-V71 PolarHBondContact OD1-O 2.82Å; V71-K73 WeakPolarHBondContact CG1-O 3.42Å; V71-I74 HydrophobicContact CG1-CG1 4.06Å; V71-N89 HydrophobicContact CG1-CB 4.07Å; V71-N89 HydrophobicContact CG2-CB 4.26Å; V71-A93 HydrophobicContact CG2-CB 3.97Å
72R91.5Very high93.9Very high251 Ų25170.9 Ų70.995%0.94738%0.376SS*.SBendtrans-73.1-38-174.2-62.9179.372.4-175.54.1113.7
73K93.5Very high93.8Very high150 Ų15072.9 Ų72.965%0.65239%0.385SS*.  trans-137128.9-176.2-175-175.9175.7-166.10109.1V71 N75V71-K73 WeakPolarHBondContact CG1-O 3.42Å; K73-N75 WeakPolarHBondContact CE-OD1 3.27Å
74I95.6Very high93.8Very high46 Ų4675.4 Ų75.424%0.23640%0.398CS..  trans-111.6125.3176.3-53178.6000107.3V57 C60 E61 V71V57-I74 HydrophobicContact CB-CG2 4.26Å; V57-I74 HydrophobicContact CG1-CG2 4.06Å; V57-I74 HydrophobicContact CG2-CG2 4.1Å; C60-I74 HydrophobicContact CB-CD1 3.56Å; C60-I74 HydrophobicContact CB-CG1 3.69Å; C60-I74 HydrophobicContact CB-CG2 4.13Å; E61-I74 HydrophobicContact CG-CD1 3.79Å; V71-I74 HydrophobicContact CG1-CG1 4.06Å
75N94.4Very high93.8Very high11 Ų1177.4 Ų77.46%0.05941%0.406CS..  trans-89.9127.1179.9-60-51.4000109.8K73 H82 E85 N86K73-N75 WeakPolarHBondContact CE-OD1 3.27Å; N75-H82 HydrophobicContact CB-CB 3.72Å; N75-H82 VanDerWaalsContact CG-CD2 3.49Å; N75-E85 PolarHBondContact ND2-OE2 3.37Å; N75-N86 PolarHBondContact N-OD1 3.29Å; N75-N86 PolarHBondContact O-ND2 3.09Å
76T93.1Very high93.9Very high122 Ų12274.5 Ų74.575%0.74839%0.388SS*.  trans-105.14.1179.453.50000113.4V57V57-T76 HydrophobicContact CG2-CG2 4.5Å
77S91.9Very high94Very high38 Ų3873.7 Ų73.727%0.26638%0.384SS..SBendtrans-72.4143.5-179.8152.90000111Q79 H82S77-Q79 PolarHBondContact O-N 3.33Å; S77-Q79 WeakPolarHBondContact OG-CG 3.47Å; S77-Q79 PolarHBondContact OG-N 3.04Å; S77-Q79 PolarHBondContact OG-OE1 3.39Å; S77-H82 WeakPolarHBondContact CB-ND1 3.31Å; S77-H82 PolarHBondContact OG-CE1 3.19Å; S77-H82 PolarHBondContact OG-ND1 3.48Å
78P90.5Very high94.2Very high113 Ų11371.7 Ų71.773%0.73438%0.381SS*.SBendtrans-72.56.9-178.131.8-37.6000114
79Q92.8Very high94.3Very high98 Ų9867.6 Ų67.646%0.45835%0.353SS..  trans-74.6132.9-179.6-66.2176.6-51.500111.3S77 W81 H82 Q83S77-Q79 PolarHBondContact O-N 3.33Å; S77-Q79 WeakPolarHBondContact OG-CG 3.47Å; S77-Q79 PolarHBondContact OG-N 3.04Å; S77-Q79 PolarHBondContact OG-OE1 3.39Å; Q79-W81 VanDerWaalsContact C-N 3.26Å; Q79-W81 PolarHBondContact O-N 2.97Å; Q79-W81 VanDerWaalsContact O-N 3.14Å; Q79-H82 WeakPolarHBondContact O-CB 3.22Å; Q79-H82 PolarHBondContact O-N 3.15Å; Q79-H82 PolarHBondContact OE1-CE1 3.35Å; Q79-H82 PolarHBondContact OE1-ND1 3.38Å; Q79-Q83 PolarHBondContact O-N 2.92Å
80N93.7Very high94.5Very high88 Ų8864.6 Ų64.647%0.47132%0.322SS..Hα-helixtrans-51.4-41.2-177.6-63.610.4000113.9H82 Q83 L84 F111N80-H82 VanDerWaalsContact C-N 3.32Å; N80-H82 PolarHBondContact O-N 3.44Å; N80-Q83 PolarHBondContact O-N 3.47Å; N80-L84 PolarHBondContact O-N 3.07Å; N80-F111 HydrophobicContact CB-CE2 4.31Å; N80-F111 HydrophobicContact CB-CZ 3.71Å
81W93.9Very high94.6Very high144 Ų14464.3 Ų64.355%0.54532%0.319SS..Hα-helixtrans-68.2-31.7-178.371.2-93.3000112.6Q79 E85Q79-W81 VanDerWaalsContact C-N 3.26Å; Q79-W81 PolarHBondContact O-N 2.97Å; Q79-W81 VanDerWaalsContact O-N 3.14Å; W81-E85 WeakPolarHBondContact CZ3-OE2 3.25Å; W81-E85 VanDerWaalsContact O-CB 3.31Å; W81-E85 WeakPolarHBondContact O-CB 3.41Å; W81-E85 PolarHBondContact O-N 2.8Å
82H94.8Very high94.7Very high23 Ų2371.5 Ų71.511%0.10635%0.345CS..Hα-helixtrans-68-39173.6-75.2143.4000111.8N75 S77 Q79 N80 E85 N86N75-H82 HydrophobicContact CB-CB 3.72Å; N75-H82 VanDerWaalsContact CG-CD2 3.49Å; S77-H82 WeakPolarHBondContact CB-ND1 3.31Å; S77-H82 PolarHBondContact OG-CE1 3.19Å; S77-H82 PolarHBondContact OG-ND1 3.48Å; Q79-H82 WeakPolarHBondContact O-CB 3.22Å; Q79-H82 PolarHBondContact O-N 3.15Å; Q79-H82 PolarHBondContact OE1-CE1 3.35Å; Q79-H82 PolarHBondContact OE1-ND1 3.38Å; N80-H82 VanDerWaalsContact C-N 3.32Å; N80-H82 PolarHBondContact O-N 3.44Å; H82-E85 PolarHBondContact O-N 3.47Å; H82-N86 VanDerWaalsContact O-CG 3.25Å; H82-N86 PolarHBondContact O-N 2.9Å; H82-N86 PolarHBondContact O-ND2 3.13Å
83Q94.5Very high94.9Very high42 Ų4259.9 Ų59.920%0.19630%0.303CS..Hα-helixtrans-64.7-47.4177-61-177.9-7.600110.6D55 Q79 N80 E85 N86 I87 F111D55-Q83 HydrophobicContact CB-CG 4.31Å; Q79-Q83 PolarHBondContact O-N 2.92Å; N80-Q83 PolarHBondContact O-N 3.47Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.19Å; Q83-N86 PolarHBondContact O-N 2.79Å; Q83-I87 WeakPolarHBondContact O-CG1 2.78Å; Q83-I87 PolarHBondContact O-N 3.32Å; Q83-F111 HydrophobicContact CB-CD2 4.3Å; Q83-F111 HydrophobicContact CB-CE2 4.13Å
84L94.9Very high95.1Very high53 Ų5352.7 Ų52.728%0.27727%0.272SS..Hα-helixtrans-60.1-40.6173.9-74.7169.9000112.3N80 I87 G88 A107 F111N80-L84 PolarHBondContact O-N 3.07Å; L84-I87 PolarHBondContact O-N 3.41Å; L84-G88 PolarHBondContact O-N 3.09Å; L84-A107 HydrophobicContact CD2-CB 3.99Å; L84-F111 HydrophobicContact CD1-CD1 4.41Å; L84-F111 HydrophobicContact CD1-CE1 4.43Å; L84-F111 HydrophobicContact CD2-CB 3.69Å; L84-F111 HydrophobicContact CD2-CD1 3.87Å; L84-F111 HydrophobicContact CD2-CD2 4.23Å; L84-F111 HydrophobicContact CD2-CG 3.66Å; L84-F111 HydrophobicContact CG-CD1 4.19Å; L84-F111 HydrophobicContact CG-CD2 4.24Å; L84-F111 HydrophobicContact CG-CE1 4.49Å; L84-F111 HydrophobicContact CG-CG 4.08Å
85E96.1Very high95Very high83 Ų8353.2 Ų53.239%0.38828%0.277SS..Hα-helixtrans-63.2-43.4176.9-173.7179.1-161.900111.8N75 W81 H82 Q83 G88 N89N75-E85 PolarHBondContact ND2-OE2 3.37Å; W81-E85 WeakPolarHBondContact CZ3-OE2 3.25Å; W81-E85 VanDerWaalsContact O-CB 3.31Å; W81-E85 WeakPolarHBondContact O-CB 3.41Å; W81-E85 PolarHBondContact O-N 2.8Å; H82-E85 PolarHBondContact O-N 3.47Å; Q83-E85 VanDerWaalsContact C-N 3.32Å; Q83-E85 PolarHBondContact O-N 3.19Å; E85-G88 PolarHBondContact O-N 3.39Å; E85-N89 WeakPolarHBondContact O-CB 3.39Å; E85-N89 PolarHBondContact O-N 3.13Å; E85-N89 PolarHBondContact O-ND2 3.25Å
86N96.8Very high95.1Very high1 Ų158.1 Ų58.11%0.00531%0.307CS..Hα-helixtrans-61-46.6175.8-70.4-20.8000111.6D55 C60 N75 H82 Q83 G88 N89 F90D55-N86 WeakPolarHBondContact O-CB 3.26Å; D55-N86 PolarHBondContact O-ND2 2.66Å; C60-N86 PolarHBondContact SG-O 3.35Å; N75-N86 PolarHBondContact N-OD1 3.29Å; N75-N86 PolarHBondContact O-ND2 3.09Å; H82-N86 VanDerWaalsContact O-CG 3.25Å; H82-N86 PolarHBondContact O-N 2.9Å; H82-N86 PolarHBondContact O-ND2 3.13Å; Q83-N86 PolarHBondContact O-N 2.79Å; N86-G88 VanDerWaalsContact C-N 3.33Å; N86-G88 PolarHBondContact O-N 2.75Å; N86-N89 WeakPolarHBondContact O-CB 3.41Å; N86-N89 PolarHBondContact O-N 2.5Å; N86-F90 PolarHBondContact O-N 3.15Å
87I96.5Very high95.2Very high0 Ų052.8 Ų52.80%027%0.273CS..Hα-helixtrans-61.9-44.2177.7-60.9164.7000110.2K54 Q83 L84 N89 F90 V91 F105 A107 L110 F111K54-I87 WeakPolarHBondContact O-CD1 3.37Å; Q83-I87 WeakPolarHBondContact O-CG1 2.78Å; Q83-I87 PolarHBondContact O-N 3.32Å; L84-I87 PolarHBondContact O-N 3.41Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 3.2Å; I87-F90 WeakPolarHBondContact O-CB 3.25Å; I87-F90 PolarHBondContact O-N 3.43Å; I87-V91 HydrophobicContact CG2-CG2 4.49Å; I87-V91 WeakPolarHBondContact O-CG2 3.49Å; I87-V91 PolarHBondContact O-N 3.06Å; I87-F105 HydrophobicContact CG2-CE2 3.53Å; I87-F105 HydrophobicContact CG2-CZ 3.88Å; I87-A107 HydrophobicContact CB-CB 4.21Å; I87-A107 HydrophobicContact CG2-CB 3.93Å; I87-L110 HydrophobicContact CD1-CB 4.37Å; I87-L110 HydrophobicContact CD1-CD2 4.2Å; I87-L110 HydrophobicContact CD1-CG 4.38Å; I87-L110 HydrophobicContact CG1-CD2 4.34Å; I87-F111 HydrophobicContact CD1-CB 4.2Å
88G96.3Very high95.2Very high24 Ų2453.1 Ų53.125%0.24728%0.283CS..Hα-helixtrans-61.9-37.9175.400000113.3L84 E85 N86 V91 R92L84-G88 PolarHBondContact O-N 3.09Å; E85-G88 PolarHBondContact O-N 3.39Å; N86-G88 VanDerWaalsContact C-N 3.33Å; N86-G88 PolarHBondContact O-N 2.75Å; G88-V91 PolarHBondContact O-N 3.33Å; G88-R92 WeakPolarHBondContact O-CG 3.49Å; G88-R92 PolarHBondContact O-N 2.65Å
89N96.8Very high95.3Very high28 Ų2848 Ų4815%0.1525%0.249CC..Hα-helixtrans-62.9-43.6173.7-72.5-21.8000111.6V71 E85 N86 I87 R92 A93V71-N89 HydrophobicContact CG1-CB 4.07Å; V71-N89 HydrophobicContact CG2-CB 4.26Å; E85-N89 WeakPolarHBondContact O-CB 3.39Å; E85-N89 PolarHBondContact O-N 3.13Å; E85-N89 PolarHBondContact O-ND2 3.25Å; N86-N89 WeakPolarHBondContact O-CB 3.41Å; N86-N89 PolarHBondContact O-N 2.5Å; I87-N89 VanDerWaalsContact C-N 3.33Å; I87-N89 PolarHBondContact O-N 3.2Å; N89-R92 PolarHBondContact O-N 2.88Å; N89-R92 PolarHBondContact OD1-NH2 3.23Å; N89-A93 VanDerWaalsContact O-CB 3.31Å; N89-A93 WeakPolarHBondContact O-CB 3.24Å; N89-A93 PolarHBondContact O-N 3.41Å
90F97.4Very high95.3Very high0 Ų048.5 Ų48.50%025%0.25CC..Hα-helixtrans-60.7-49.5174.8173.9-108.8000112.1L59 L62 I63 N86 I87 R92 A93 I94 F105 L123 L126L59-F90 HydrophobicContact CB-CB 4.07Å; L59-F90 HydrophobicContact CB-CD1 3.98Å; L59-F90 HydrophobicContact CB-CD2 3.77Å; L59-F90 HydrophobicContact CB-CE1 4.3Å; L59-F90 HydrophobicContact CB-CE2 4.11Å; L59-F90 HydrophobicContact CB-CG 3.67Å; L59-F90 HydrophobicContact CB-CZ 4.36Å; L59-F90 HydrophobicContact CD1-CD1 4.01Å; L59-F90 HydrophobicContact CD1-CE1 4.26Å; L59-F90 HydrophobicContact CD1-CG 4.48Å; L59-F90 HydrophobicContact CD2-CE1 4.08Å; L59-F90 HydrophobicContact CD2-CZ 4.08Å; L59-F90 HydrophobicContact CG-CD1 4.41Å; L59-F90 HydrophobicContact CG-CE1 4.46Å; L59-F90 WeakPolarHBondContact O-CD2 3.36Å; L59-F90 VanDerWaalsContact O-CE2 3.31Å; L59-F90 WeakPolarHBondContact O-CE2 3.39Å; L62-F90 HydrophobicContact CD2-CE2 4.46Å; I63-F90 HydrophobicContact CB-CD2 3.98Å; I63-F90 HydrophobicContact CB-CE2 4.03Å; I63-F90 HydrophobicContact CG2-CD2 3.91Å; I63-F90 HydrophobicContact CG2-CE2 4.45Å; N86-F90 PolarHBondContact O-N 3.15Å; I87-F90 WeakPolarHBondContact O-CB 3.25Å; I87-F90 PolarHBondContact O-N 3.43Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.23Å; F90-A93 WeakPolarHBondContact O-CB 3.34Å; F90-A93 PolarHBondContact O-N 3.03Å; F90-I94 HydrophobicContact CD1-CD1 4.21Å; F90-I94 HydrophobicContact CD1-CG2 4.5Å; F90-I94 HydrophobicContact CD2-CG2 3.85Å; F90-I94 HydrophobicContact CE1-CD1 3.8Å; F90-I94 HydrophobicContact CE1-CG2 4.13Å; F90-I94 HydrophobicContact CE2-CG2 3.43Å; F90-I94 VanDerWaalsContact CE2-CG2 3.43Å; F90-I94 HydrophobicContact CG-CG2 4.39Å; F90-I94 HydrophobicContact CZ-CD1 4.2Å; F90-I94 HydrophobicContact CZ-CG2 3.6Å; F90-I94 WeakPolarHBondContact O-CG1 3.35Å; F90-I94 WeakPolarHBondContact O-CG2 3.27Å; F90-I94 PolarHBondContact O-N 3.33Å; F90-F105 HydrophobicContact CD1-CE1 4.06Å; F90-F105 HydrophobicContact CD1-CZ 4.04Å; F90-F105 AromaticContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CZ 4.19Å; F90-L123 HydrophobicContact CE1-CD2 4.29Å; F90-L123 HydrophobicContact CZ-CD2 3.97Å; F90-L126 HydrophobicContact CE2-CD2 4.14Å; F90-L126 HydrophobicContact CZ-CD2 3.81Å
91V96.8Very high95.2Very high25 Ų2549.3 Ų49.315%0.15226%0.26CS..Hα-helixtrans-58.7-41.7179.5173.90000111.3I87 G88 I94 T95 L104 F105I87-V91 HydrophobicContact CG2-CG2 4.49Å; I87-V91 WeakPolarHBondContact O-CG2 3.49Å; I87-V91 PolarHBondContact O-N 3.06Å; G88-V91 PolarHBondContact O-N 3.33Å; V91-I94 VanDerWaalsContact O-CG1 3.29Å; V91-I94 WeakPolarHBondContact O-CG1 3.38Å; V91-T95 PolarHBondContact O-N 2.72Å; V91-T95 VanDerWaalsContact O-N 3.14Å; V91-T95 PolarHBondContact O-OG1 3.49Å; V91-L104 HydrophobicContact CG1-CB 4.49Å; V91-L104 HydrophobicContact CG1-CD1 4.36Å; V91-L104 HydrophobicContact CG1-CD2 4.43Å; V91-F105 HydrophobicContact CG2-CD1 4.47Å; V91-F105 HydrophobicContact CG2-CE1 4.12Å; V91-F105 HydrophobicContact CG2-CE2 4.32Å; V91-F105 HydrophobicContact CG2-CZ 4.03Å
92R96.1Very high95Very high161 Ų16149.6 Ų49.661%0.60826%0.262SS*.Hα-helixtrans-63.6-44.1173.8-72.5-171.5-69.7-169.6-1.7112.1G88 N89 F90 T95 V96G88-R92 WeakPolarHBondContact O-CG 3.49Å; G88-R92 PolarHBondContact O-N 2.65Å; N89-R92 PolarHBondContact O-N 2.88Å; N89-R92 PolarHBondContact OD1-NH2 3.23Å; F90-R92 VanDerWaalsContact C-N 3.3Å; F90-R92 PolarHBondContact O-N 3.23Å; R92-T95 WeakPolarHBondContact O-CB 3.29Å; R92-T95 PolarHBondContact O-N 3.14Å; R92-V96 PolarHBondContact O-N 2.95Å; R92-V96 VanDerWaalsContact O-N 3.15Å
93A96.7Very high94.9Very high7 Ų750.4 Ų50.46%0.05827%0.267CS..Hα-helixtrans-63-45.4-179.500000112.4I63 V71 N89 F90 T95 V96 Y97I63-A93 HydrophobicContact CB-CB 4.42Å; I63-A93 HydrophobicContact CG1-CB 3.74Å; I63-A93 HydrophobicContact CG2-CB 3.89Å; V71-A93 HydrophobicContact CG2-CB 3.97Å; N89-A93 VanDerWaalsContact O-CB 3.31Å; N89-A93 WeakPolarHBondContact O-CB 3.24Å; N89-A93 PolarHBondContact O-N 3.41Å; F90-A93 WeakPolarHBondContact O-CB 3.34Å; F90-A93 PolarHBondContact O-N 3.03Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 2.9Å; A93-V96 PolarHBondContact O-N 3.06Å; A93-Y97 PolarHBondContact O-N 3.08Å
94I96.4Very high95Very high0 Ų050 Ų500%027%0.266CS..Hα-helixtrans-70.2-27.7178.968.5-178.5000112.4I63 F90 V91 Y97 G98 M99 L104 L126I63-I94 HydrophobicContact CB-CG2 4.46Å; I63-I94 HydrophobicContact CD1-CG2 3.92Å; I63-I94 HydrophobicContact CG1-CG2 4.06Å; F90-I94 HydrophobicContact CD1-CD1 4.21Å; F90-I94 HydrophobicContact CD1-CG2 4.5Å; F90-I94 HydrophobicContact CD2-CG2 3.85Å; F90-I94 HydrophobicContact CE1-CD1 3.8Å; F90-I94 HydrophobicContact CE1-CG2 4.13Å; F90-I94 HydrophobicContact CE2-CG2 3.43Å; F90-I94 VanDerWaalsContact CE2-CG2 3.43Å; F90-I94 HydrophobicContact CG-CG2 4.39Å; F90-I94 HydrophobicContact CZ-CD1 4.2Å; F90-I94 HydrophobicContact CZ-CG2 3.6Å; F90-I94 WeakPolarHBondContact O-CG1 3.35Å; F90-I94 WeakPolarHBondContact O-CG2 3.27Å; F90-I94 PolarHBondContact O-N 3.33Å; V91-I94 VanDerWaalsContact O-CG1 3.29Å; V91-I94 WeakPolarHBondContact O-CG1 3.38Å; I94-Y97 WeakPolarHBondContact O-CB 3.31Å; I94-Y97 PolarHBondContact O-N 3.02Å; I94-G98 PolarHBondContact O-N 2.87Å; I94-M99 HydrophobicContact CB-CG 3.86Å; I94-M99 HydrophobicContact CD1-CE 4.12Å; I94-M99 HydrophobicContact CD1-CG 4.37Å; I94-M99 HydrophobicContact CG1-CB 4.48Å; I94-M99 HydrophobicContact CG1-CG 4.08Å; I94-M99 VanDerWaalsContact O-CB 3.24Å; I94-M99 WeakPolarHBondContact O-CB 3.4Å; I94-M99 WeakPolarHBondContact O-CG 3.48Å; I94-M99 PolarHBondContact O-N 3.06Å; I94-L104 HydrophobicContact CD1-CD2 3.69Å; I94-L104 HydrophobicContact CG1-CD2 3.69Å; I94-L126 HydrophobicContact CB-CD1 4.28Å; I94-L126 HydrophobicContact CG2-CD1 4.01Å; I94-L126 HydrophobicContact CG2-CD2 3.93Å
95T95.6Very high95Very high56 Ų5647.7 Ų47.734%0.34425%0.254SS..Hα-helixtrans-62.3-47.5170.8-550000110.5V91 R92 A93 Y97 G98 L104V91-T95 PolarHBondContact O-N 2.72Å; V91-T95 VanDerWaalsContact O-N 3.14Å; V91-T95 PolarHBondContact O-OG1 3.49Å; R92-T95 WeakPolarHBondContact O-CB 3.29Å; R92-T95 PolarHBondContact O-N 3.14Å; A93-T95 VanDerWaalsContact C-N 3.3Å; A93-T95 PolarHBondContact O-N 2.9Å; T95-Y97 VanDerWaalsContact C-N 3.26Å; T95-Y97 PolarHBondContact O-N 3.23Å; T95-G98 PolarHBondContact O-N 3.46Å; T95-G98 VanDerWaalsContact O-N 3.07Å; T95-L104 HydrophobicContact CG2-CD1 4.46Å; T95-L104 VanDerWaalsContact OG1-CD1 3.23Å; T95-L104 WeakPolarHBondContact OG1-CD1 3.44Å
96V95.4Very high94.9Very high115 Ų11549.9 Ų49.970%0.69726%0.264SS*.Hα-helixtrans-65.3-32.5174.71760000111.5R92 A93 G98R92-V96 PolarHBondContact O-N 2.95Å; R92-V96 VanDerWaalsContact O-N 3.15Å; A93-V96 PolarHBondContact O-N 3.06Å; V96-G98 PolarHBondContact O-N 2.66Å
97Y94.4Very high94.8Very high9 Ų951.1 Ų51.14%0.03527%0.274CS..Hα-helixtrans-64.3-17.3174.2-164.6-104.5000112.8I63 L66 Q67 A93 I94 T95 L126 I129 A130 K133I63-Y97 HydrophobicContact CD1-CD2 3.96Å; I63-Y97 HydrophobicContact CD1-CG 3.99Å; L66-Y97 HydrophobicContact CB-CE2 4.23Å; Q67-Y97 HydrophobicContact CB-CD2 3.82Å; Q67-Y97 HydrophobicContact CB-CE2 3.83Å; A93-Y97 PolarHBondContact O-N 3.08Å; I94-Y97 WeakPolarHBondContact O-CB 3.31Å; I94-Y97 PolarHBondContact O-N 3.02Å; T95-Y97 VanDerWaalsContact C-N 3.26Å; T95-Y97 PolarHBondContact O-N 3.23Å; Y97-L126 HydrophobicContact CD1-CD1 3.75Å; Y97-L126 HydrophobicContact CE1-CD1 4.07Å; Y97-I129 HydrophobicContact CD1-CG2 3.86Å; Y97-I129 HydrophobicContact CE1-CB 4.43Å; Y97-I129 HydrophobicContact CE1-CG2 3.72Å; Y97-A130 HydrophobicContact CE1-CB 4.43Å; Y97-A130 WeakPolarHBondContact OH-CA 3.41Å; Y97-K133 VanDerWaalsContact CD2-NZ 3.34Å; Y97-K133 HydrophobicContact CE1-CD 3.94Å; Y97-K133 HydrophobicContact CE2-CD 3.93Å; Y97-K133 VanDerWaalsContact O-CE 3.25Å; Y97-K133 WeakPolarHBondContact O-CE 3.29Å; Y97-K133 PolarHBondContact O-NZ 3.04Å
98G91.9Very high94.6Very high45 Ų4554.4 Ų54.446%0.46429%0.292SS..THydrogen-bonded Turntrans112.413175.900000114.5I94 T95 V96I94-G98 PolarHBondContact O-N 2.87Å; T95-G98 PolarHBondContact O-N 3.46Å; T95-G98 VanDerWaalsContact O-N 3.07Å; V96-G98 PolarHBondContact O-N 2.66Å
99M93.6Very high94.4Very high7 Ų754.3 Ų54.33%0.03429%0.285CS..  trans-62.2143.9165.3-72.7-86.4-69.400110.2I94 D103 L104 T125 L126 I129I94-M99 HydrophobicContact CB-CG 3.86Å; I94-M99 HydrophobicContact CD1-CE 4.12Å; I94-M99 HydrophobicContact CD1-CG 4.37Å; I94-M99 HydrophobicContact CG1-CB 4.48Å; I94-M99 HydrophobicContact CG1-CG 4.08Å; I94-M99 VanDerWaalsContact O-CB 3.24Å; I94-M99 WeakPolarHBondContact O-CB 3.4Å; I94-M99 WeakPolarHBondContact O-CG 3.48Å; I94-M99 PolarHBondContact O-N 3.06Å; M99-D103 HydrophobicContact CE-CB 4.07Å; M99-D103 WeakPolarHBondContact CE-O 3.31Å; M99-L104 HydrophobicContact CB-CD2 3.77Å; M99-L104 HydrophobicContact CE-CD2 3.91Å; M99-L104 HydrophobicContact CG-CD2 4.38Å; M99-T125 HydrophobicContact SD-CG2 3.77Å; M99-L126 HydrophobicContact CG-CD1 4.42Å; M99-L126 HydrophobicContact SD-CB 4.15Å; M99-I129 HydrophobicContact CG-CD1 4.11Å; M99-I129 HydrophobicContact SD-CD1 3.82Å
100K92Very high94.3Very high107 Ų10753 Ų5347%0.46528%0.278SS..  trans-86.1147.2176.5-62.9177.2-179.3176.30110Y102 D103K100-Y102 HydrophobicContact CB-CD1 3.92Å; K100-Y102 HydrophobicContact CB-CD2 4.42Å; K100-Y102 HydrophobicContact CB-CE1 3.54Å; K100-Y102 HydrophobicContact CB-CE2 4.08Å; K100-Y102 HydrophobicContact CB-CG 4.38Å; K100-Y102 HydrophobicContact CD-CE1 3.52Å; K100-Y102 HydrophobicContact CD-CE2 4.07Å; K100-Y102 WeakPolarHBondContact CD-OH 3.36Å; K100-Y102 WeakPolarHBondContact CE-OH 3.45Å; K100-Y102 HydrophobicContact CG-CE1 4.15Å; K100-Y102 PolarHBondContact NZ-OH 3.25Å; K100-Y102 PolarHBondContact O-N 3.43Å; K100-Y102 VanDerWaalsContact O-N 3.09Å; K100-D103 PolarHBondContact O-N 2.95Å
101P91.5Very high94Very high105 Ų10554.8 Ų54.868%0.68229%0.286SS*.G310 helixtrans-56.7-31.8-174.3-27.835000114.9D103 L104P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.49Å; P101-L104 PolarHBondContact O-N 3.38Å
102Y91.5Very high93.7Very high151 Ų15159.6 Ų59.659%0.59231%0.307SS*.G310 helixtrans-76.4-15.7179.957.1-104.9000113.9K100K100-Y102 HydrophobicContact CB-CD1 3.92Å; K100-Y102 HydrophobicContact CB-CD2 4.42Å; K100-Y102 HydrophobicContact CB-CE1 3.54Å; K100-Y102 HydrophobicContact CB-CE2 4.08Å; K100-Y102 HydrophobicContact CB-CG 4.38Å; K100-Y102 HydrophobicContact CD-CE1 3.52Å; K100-Y102 HydrophobicContact CD-CE2 4.07Å; K100-Y102 WeakPolarHBondContact CD-OH 3.36Å; K100-Y102 WeakPolarHBondContact CE-OH 3.45Å; K100-Y102 HydrophobicContact CG-CE1 4.15Å; K100-Y102 PolarHBondContact NZ-OH 3.25Å; K100-Y102 PolarHBondContact O-N 3.43Å; K100-Y102 VanDerWaalsContact O-N 3.09Å
103D92.8Very high93.3Very high40 Ų4054.9 Ų54.921%0.21429%0.294CS..G310 helixtrans-96.77.1176.5-65.3-41.3000111.7M99 K100 P101 T122 T125M99-D103 HydrophobicContact CE-CB 4.07Å; M99-D103 WeakPolarHBondContact CE-O 3.31Å; K100-D103 PolarHBondContact O-N 2.95Å; P101-D103 VanDerWaalsContact C-N 3.3Å; P101-D103 PolarHBondContact O-N 3.49Å; D103-T122 VanDerWaalsContact O-CB 3.28Å; D103-T122 WeakPolarHBondContact O-CB 3.44Å; D103-T122 WeakPolarHBondContact O-CG2 3.25Å; D103-T125 HydrophobicContact CB-CG2 4.24Å
104L95Very high92.8Very high32 Ų3257.2 Ų57.217%0.16831%0.307CS..  trans-91.2155.6178.9-60.8173.3000111.1V91 I94 T95 M99 P101 Q118V91-L104 HydrophobicContact CG1-CB 4.49Å; V91-L104 HydrophobicContact CG1-CD1 4.36Å; V91-L104 HydrophobicContact CG1-CD2 4.43Å; I94-L104 HydrophobicContact CD1-CD2 3.69Å; I94-L104 HydrophobicContact CG1-CD2 3.69Å; T95-L104 HydrophobicContact CG2-CD1 4.46Å; T95-L104 VanDerWaalsContact OG1-CD1 3.23Å; T95-L104 WeakPolarHBondContact OG1-CD1 3.44Å; M99-L104 HydrophobicContact CB-CD2 3.77Å; M99-L104 HydrophobicContact CE-CD2 3.91Å; M99-L104 HydrophobicContact CG-CD2 4.38Å; P101-L104 PolarHBondContact O-N 3.38Å; L104-Q118 PolarHBondContact O-NE2 2.89Å
105F95.9Very high92.5Very high5 Ų558.6 Ų58.62%0.02232%0.315CS..  trans-109.6160.3169.171-81.9000109.6L59 I87 F90 V91 D109 L110 Q118 V119 T122L59-F105 HydrophobicContact CD1-CZ 4.29Å; I87-F105 HydrophobicContact CG2-CE2 3.53Å; I87-F105 HydrophobicContact CG2-CZ 3.88Å; F90-F105 HydrophobicContact CD1-CE1 4.06Å; F90-F105 HydrophobicContact CD1-CZ 4.04Å; F90-F105 AromaticContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CE1 3.84Å; F90-F105 HydrophobicContact CE1-CZ 4.19Å; V91-F105 HydrophobicContact CG2-CD1 4.47Å; V91-F105 HydrophobicContact CG2-CE1 4.12Å; V91-F105 HydrophobicContact CG2-CE2 4.32Å; V91-F105 HydrophobicContact CG2-CZ 4.03Å; F105-D109 HydrophobicContact CB-CB 4.27Å; F105-D109 HydrophobicContact CD2-CB 4.21Å; F105-L110 HydrophobicContact CD2-CB 4.4Å; F105-L110 HydrophobicContact CE2-CB 3.92Å; F105-L110 HydrophobicContact CE2-CD2 4.29Å; F105-L110 HydrophobicContact CZ-CD2 4.47Å; F105-Q118 HydrophobicContact CB-CB 4.29Å; F105-Q118 HydrophobicContact CB-CG 3.7Å; F105-V119 HydrophobicContact CB-CG2 4.21Å; F105-V119 HydrophobicContact CD2-CG2 3.72Å; F105-V119 HydrophobicContact CE2-CG2 4.2Å; F105-V119 HydrophobicContact CG-CG2 3.92Å; F105-T122 HydrophobicContact CB-CG2 3.87Å; F105-T122 HydrophobicContact CD1-CG2 3.68Å; F105-T122 VanDerWaalsContact CD1-OG1 3.27Å; F105-T122 WeakPolarHBondContact CD1-OG1 3.48Å; F105-T122 HydrophobicContact CG-CG2 4.25Å
106E94.1Very high92.4Very high130 Ų13058.5 Ų58.561%0.60731%0.309SS*.  trans-90.5152.9175.6-62.5-174177.600111.4N108 D109E106-N108 PolarHBondContact O-N 3.12Å; E106-D109 PolarHBondContact N-OD2 3.24Å; E106-D109 VanDerWaalsContact O-CB 3.27Å; E106-D109 WeakPolarHBondContact O-CB 3.23Å; E106-D109 PolarHBondContact O-N 3.44Å
107A93.4Very high92.3Very high26 Ų2653.7 Ų53.722%0.21528%0.279CS..Hα-helixtrans-56.3-32.7-178.700000113.4L84 I87 D109 F111L84-A107 HydrophobicContact CD2-CB 3.99Å; I87-A107 HydrophobicContact CB-CB 4.21Å; I87-A107 HydrophobicContact CG2-CB 3.93Å; A107-D109 VanDerWaalsContact C-N 3.32Å; A107-D109 PolarHBondContact O-N 3.05Å; A107-F111 VanDerWaalsContact O-CB 3.31Å; A107-F111 WeakPolarHBondContact O-CB 3.28Å; A107-F111 PolarHBondContact O-N 3.48Å; A107-F111 VanDerWaalsContact O-N 3.12Å
108N92.7Very high92.2Very high69 Ų6955.6 Ų55.637%0.36929%0.289SS..Hα-helixtrans-69.7-27.6177.3-62.5-31.2000112.9E106 L110 F111 E112 T114E106-N108 PolarHBondContact O-N 3.12Å; N108-L110 PolarHBondContact O-N 3.03Å; N108-F111 PolarHBondContact O-N 3.39Å; N108-E112 PolarHBondContact O-N 3.1Å; N108-T114 PolarHBondContact O-OG1 3.35Å
109D93Very high92.4Very high22 Ų2253.4 Ų53.412%0.11827%0.266CS..Hα-helixtrans-57.5-39.3179.2-69.4-31.6000112.8F105 E106 A107 T114 N115 V119F105-D109 HydrophobicContact CB-CB 4.27Å; F105-D109 HydrophobicContact CD2-CB 4.21Å; E106-D109 PolarHBondContact N-OD2 3.24Å; E106-D109 VanDerWaalsContact O-CB 3.27Å; E106-D109 WeakPolarHBondContact O-CB 3.23Å; E106-D109 PolarHBondContact O-N 3.44Å; A107-D109 VanDerWaalsContact C-N 3.32Å; A107-D109 PolarHBondContact O-N 3.05Å; D109-T114 WeakPolarHBondContact CA-OG1 3.27Å; D109-T114 PolarHBondContact O-N 3.12Å; D109-T114 PolarHBondContact OD1-OG1 2.97Å; D109-T114 VanDerWaalsContact OD1-OG1 3.09Å; D109-N115 HydrophobicContact CB-CB 4.07Å; D109-N115 PolarHBondContact O-N 3.32Å; D109-N115 WeakPolarHBondContact OD1-CB 2.97Å; D109-V119 HydrophobicContact CB-CG2 4.22Å
110L93.4Very high92.5Very high0 Ų053.3 Ų53.30%027%0.266CS..Hα-helixtrans-89.4-43.8176.8-176.656.4000112.1M50 L53 K54 L59 I87 F105 N108 N113 Y116 V119M50-L110 HydrophobicContact SD-CD1 4.08Å; L53-L110 HydrophobicContact CB-CD1 4.32Å; L53-L110 HydrophobicContact CB-CD2 4.06Å; L53-L110 WeakPolarHBondContact O-CD2 2.86Å; K54-L110 WeakPolarHBondContact CE-O 3.1Å; K54-L110 HydrophobicContact CG-CD1 4.27Å; K54-L110 HydrophobicContact CG-CG 4.29Å; L59-L110 HydrophobicContact CD1-CD2 3.62Å; I87-L110 HydrophobicContact CD1-CB 4.37Å; I87-L110 HydrophobicContact CD1-CD2 4.2Å; I87-L110 HydrophobicContact CD1-CG 4.38Å; I87-L110 HydrophobicContact CG1-CD2 4.34Å; F105-L110 HydrophobicContact CD2-CB 4.4Å; F105-L110 HydrophobicContact CE2-CB 3.92Å; F105-L110 HydrophobicContact CE2-CD2 4.29Å; F105-L110 HydrophobicContact CZ-CD2 4.47Å; N108-L110 PolarHBondContact O-N 3.03Å; L110-N113 PolarHBondContact O-OD1 3.4Å; L110-Y116 HydrophobicContact CD1-CE1 4.37Å; L110-V119 HydrophobicContact CB-CG2 4.01Å; L110-V119 HydrophobicContact CD1-CG1 4.33Å; L110-V119 HydrophobicContact CD1-CG2 4.45Å
111F92.5Very high92.6Very high39 Ų3950.7 Ų50.717%0.17126%0.261CS..Hα-helixtrans-69.5-42.7-173.2-176.5-100.6000113.2N80 Q83 L84 I87 A107 N108N80-F111 HydrophobicContact CB-CE2 4.31Å; N80-F111 HydrophobicContact CB-CZ 3.71Å; Q83-F111 HydrophobicContact CB-CD2 4.3Å; Q83-F111 HydrophobicContact CB-CE2 4.13Å; L84-F111 HydrophobicContact CD1-CD1 4.41Å; L84-F111 HydrophobicContact CD1-CE1 4.43Å; L84-F111 HydrophobicContact CD2-CB 3.69Å; L84-F111 HydrophobicContact CD2-CD1 3.87Å; L84-F111 HydrophobicContact CD2-CD2 4.23Å; L84-F111 HydrophobicContact CD2-CG 3.66Å; L84-F111 HydrophobicContact CG-CD1 4.19Å; L84-F111 HydrophobicContact CG-CD2 4.24Å; L84-F111 HydrophobicContact CG-CE1 4.49Å; L84-F111 HydrophobicContact CG-CG 4.08Å; I87-F111 HydrophobicContact CD1-CB 4.2Å; A107-F111 VanDerWaalsContact O-CB 3.31Å; A107-F111 WeakPolarHBondContact O-CB 3.28Å; A107-F111 PolarHBondContact O-N 3.48Å; A107-F111 VanDerWaalsContact O-N 3.12Å; N108-F111 PolarHBondContact O-N 3.39Å
112E90.2Very high92.8Very high125 Ų12545.7 Ų45.758%0.58423%0.229SC*.SBendtrans-98.50.9-178.2-60.3-164.3160.200113.7N108 T114N108-E112 PolarHBondContact O-N 3.1Å; E112-T114 VanDerWaalsContact C-N 3.29Å; E112-T114 HydrophobicContact CB-CG2 4.09Å; E112-T114 PolarHBondContact O-N 3.46Å
113N88.3Confident92.9Very high63 Ų6338.5 Ų38.534%0.33720%0.2SC..  trans6332.8-177.2-51.9-4.2000112.8E51 K54 L110 Y116E51-N113 PolarHBondContact OE1-ND2 3.32Å; K54-N113 WeakPolarHBondContact CE-OD1 3.44Å; K54-N113 VanDerWaalsContact NZ-CG 3.33Å; K54-N113 PolarHBondContact NZ-ND2 3.12Å; K54-N113 VanDerWaalsContact NZ-ND2 3.19Å; K54-N113 PolarHBondContact NZ-OD1 3.35Å; L110-N113 PolarHBondContact O-OD1 3.4Å; N113-Y116 HydrophobicContact CB-CE1 3.83Å; N113-Y116 HydrophobicContact CB-CE2 4.43Å; N113-Y116 VanDerWaalsContact CG-CZ 3.4Å; N113-Y116 PolarHBondContact ND2-OH 3.43Å; N113-Y116 WeakPolarHBondContact OD1-CE1 3.45Å; N113-Y116 PolarHBondContact OD1-OH 3.27Å
114T86.4Confident93Very high55 Ų5538.4 Ų38.434%0.33720%0.199SC..SBendtrans-75-35.9-17948.10000112.1N108 D109 E112N108-T114 PolarHBondContact O-OG1 3.35Å; D109-T114 WeakPolarHBondContact CA-OG1 3.27Å; D109-T114 PolarHBondContact O-N 3.12Å; D109-T114 PolarHBondContact OD1-OG1 2.97Å; D109-T114 VanDerWaalsContact OD1-OG1 3.09Å; E112-T114 VanDerWaalsContact C-N 3.29Å; E112-T114 HydrophobicContact CB-CG2 4.09Å; E112-T114 PolarHBondContact O-N 3.46Å
115N89.7Confident92.9Very high29 Ų2937.9 Ų37.916%0.15520%0.197CC..  trans-15474.2-174.4-165.9-3.7000114.3D109 T117 Q118 V119D109-N115 HydrophobicContact CB-CB 4.07Å; D109-N115 PolarHBondContact O-N 3.32Å; D109-N115 WeakPolarHBondContact OD1-CB 2.97Å; N115-T117 PolarHBondContact O-N 2.9Å; N115-Q118 HydrophobicContact CB-CB 4.36Å; N115-Q118 WeakPolarHBondContact ND2-CB 3.45Å; N115-Q118 PolarHBondContact O-N 3.31Å; N115-Q118 PolarHBondContact OD1-N 3.31Å; N115-Q118 VanDerWaalsContact OD1-N 3.1Å; N115-V119 PolarHBondContact O-N 2.92Å
116Y92.4Very high92.8Very high55 Ų5537.7 Ų37.722%0.21620%0.197CC..Hα-helixtrans-60.9-28.3174.1-71-13000114.1M50 E51 K54 L110 N113 Q118 V119 Q120M50-Y116 HydrophobicContact CB-CD1 4.38Å; M50-Y116 HydrophobicContact CB-CD2 4.25Å; M50-Y116 HydrophobicContact CB-CE1 3.95Å; M50-Y116 HydrophobicContact CB-CE2 3.8Å; M50-Y116 HydrophobicContact CB-CG 4.5Å; M50-Y116 HydrophobicContact CG-CD1 4.15Å; M50-Y116 HydrophobicContact CG-CD2 3.87Å; M50-Y116 HydrophobicContact CG-CE1 4.23Å; M50-Y116 HydrophobicContact CG-CE2 3.95Å; M50-Y116 HydrophobicContact CG-CG 3.95Å; M50-Y116 HydrophobicContact SD-CD1 4.25Å; M50-Y116 HydrophobicContact SD-CG 4.33Å; E51-Y116 PolarHBondContact OE1-OH 3.25Å; E51-Y116 VanDerWaalsContact OE1-OH 3.09Å; K54-Y116 WeakPolarHBondContact CE-OH 3.43Å; L110-Y116 HydrophobicContact CD1-CE1 4.37Å; N113-Y116 HydrophobicContact CB-CE1 3.83Å; N113-Y116 HydrophobicContact CB-CE2 4.43Å; N113-Y116 VanDerWaalsContact CG-CZ 3.4Å; N113-Y116 PolarHBondContact ND2-OH 3.43Å; N113-Y116 WeakPolarHBondContact OD1-CE1 3.45Å; N113-Y116 PolarHBondContact OD1-OH 3.27Å; Y116-Q118 PolarHBondContact O-N 2.7Å; Y116-V119 PolarHBondContact O-N 3.04Å; Y116-Q120 WeakPolarHBondContact O-CB 3.5Å; Y116-Q120 PolarHBondContact O-N 3.47Å
117T93.2Very high92.8Very high13 Ų1331.6 Ų31.68%0.0817%0.169CC..Hα-helixtrans-64.3-39.9178-51.40000112L21 K24 N115 S121L21-T117 WeakPolarHBondContact O-CG2 3.18Å; L21-T117 PolarHBondContact O-OG1 3.38Å; K24-T117 HydrophobicContact CB-CG2 3.63Å; N115-T117 PolarHBondContact O-N 2.9Å; T117-S121 WeakPolarHBondContact O-CB 3.2Å; T117-S121 PolarHBondContact O-N 2.75Å; T117-S121 PolarHBondContact O-OG 3.31Å
118Q93.7Very high92.7Very high49 Ų4930.3 Ų30.323%0.22916%0.158CC..Hα-helixtrans-65.2-48.3174.1-172.264.223.700109.9L104 F105 N115 Y116 Q120 S121 T122L104-Q118 PolarHBondContact O-NE2 2.89Å; F105-Q118 HydrophobicContact CB-CB 4.29Å; F105-Q118 HydrophobicContact CB-CG 3.7Å; N115-Q118 HydrophobicContact CB-CB 4.36Å; N115-Q118 WeakPolarHBondContact ND2-CB 3.45Å; N115-Q118 PolarHBondContact O-N 3.31Å; N115-Q118 PolarHBondContact OD1-N 3.31Å; N115-Q118 VanDerWaalsContact OD1-N 3.1Å; Y116-Q118 PolarHBondContact O-N 2.7Å; Q118-Q120 VanDerWaalsContact C-N 3.32Å; Q118-Q120 PolarHBondContact O-N 3.31Å; Q118-S121 PolarHBondContact O-N 3.3Å; Q118-S121 VanDerWaalsContact O-N 3.09Å; Q118-T122 HydrophobicContact CG-CG2 4.16Å; Q118-T122 WeakPolarHBondContact O-CG2 3.41Å; Q118-T122 PolarHBondContact O-N 3.26Å
119V95.2Very high92.6Very high0 Ų027.9 Ų27.90%015%0.145CC..Hα-helixtrans-53-49.8176.7-176.80000111M50 F105 D109 L110 N115 Y116 S121 T122 L123M50-V119 HydrophobicContact CE-CB 4.39Å; M50-V119 HydrophobicContact CE-CG1 4.37Å; M50-V119 HydrophobicContact SD-CG1 4.21Å; F105-V119 HydrophobicContact CB-CG2 4.21Å; F105-V119 HydrophobicContact CD2-CG2 3.72Å; F105-V119 HydrophobicContact CE2-CG2 4.2Å; F105-V119 HydrophobicContact CG-CG2 3.92Å; D109-V119 HydrophobicContact CB-CG2 4.22Å; L110-V119 HydrophobicContact CB-CG2 4.01Å; L110-V119 HydrophobicContact CD1-CG1 4.33Å; L110-V119 HydrophobicContact CD1-CG2 4.45Å; N115-V119 PolarHBondContact O-N 2.92Å; Y116-V119 PolarHBondContact O-N 3.04Å; V119-S121 PolarHBondContact O-N 2.87Å; V119-T122 PolarHBondContact O-N 3.5Å; V119-T122 PolarHBondContact O-OG1 3.13Å; V119-L123 HydrophobicContact CG1-CD1 4.14Å; V119-L123 WeakPolarHBondContact O-CG 3.45Å; V119-L123 PolarHBondContact O-N 3.07Å; V119-L123 VanDerWaalsContact O-N 3.12Å
120Q94.9Very high92.6Very high4 Ų426.9 Ų26.92%0.01914%0.14CC..Hα-helixtrans-57.3-48177-178.2176.250.100112Y25 D26 L33 M50 Y116 Q118 T122 L123 I124Y25-Q120 HydrophobicContact CD2-CB 4.36Å; Y25-Q120 HydrophobicContact CE2-CB 3.94Å; Y25-Q120 HydrophobicContact CE2-CG 4.4Å; D26-Q120 VanDerWaalsContact N-OE1 3.13Å; D26-Q120 PolarHBondContact O-NE2 2.86Å; L33-Q120 HydrophobicContact CD1-CG 3.81Å; M50-Q120 HydrophobicContact CE-CB 4.33Å; Y116-Q120 WeakPolarHBondContact O-CB 3.5Å; Y116-Q120 PolarHBondContact O-N 3.47Å; Q118-Q120 VanDerWaalsContact C-N 3.32Å; Q118-Q120 PolarHBondContact O-N 3.31Å; Q120-T122 VanDerWaalsContact C-N 3.32Å; Q120-T122 PolarHBondContact O-N 2.98Å; Q120-L123 PolarHBondContact O-N 2.96Å; Q120-I124 HydrophobicContact CG-CD1 3.9Å; Q120-I124 WeakPolarHBondContact O-CD1 3.5Å; Q120-I124 VanDerWaalsContact O-CG1 3.31Å; Q120-I124 WeakPolarHBondContact O-CG1 3.45Å; Q120-I124 PolarHBondContact O-N 3.45Å; Q120-I124 VanDerWaalsContact O-N 3.1Å
121S94.1Very high92.4Very high52 Ų5228.5 Ų28.536%0.36415%0.147SC..Hα-helixtrans-61.5-40.9179.4-58.40000111.8T117 Q118 V119 L123 I124 T125T117-S121 WeakPolarHBondContact O-CB 3.2Å; T117-S121 PolarHBondContact O-N 2.75Å; T117-S121 PolarHBondContact O-OG 3.31Å; Q118-S121 PolarHBondContact O-N 3.3Å; Q118-S121 VanDerWaalsContact O-N 3.09Å; V119-S121 PolarHBondContact O-N 2.87Å; S121-L123 PolarHBondContact O-N 3.29Å; S121-I124 PolarHBondContact O-N 3.06Å; S121-T125 PolarHBondContact O-N 2.9Å; S121-T125 PolarHBondContact O-OG1 3.15Å
122T95.5Very high92.2Very high1 Ų128.1 Ų28.11%0.00615%0.149CC..Hα-helixtrans-63.3-41.3179.2730000112.3D103 F105 Q118 V119 Q120 T125 L126D103-T122 VanDerWaalsContact O-CB 3.28Å; D103-T122 WeakPolarHBondContact O-CB 3.44Å; D103-T122 WeakPolarHBondContact O-CG2 3.25Å; F105-T122 HydrophobicContact CB-CG2 3.87Å; F105-T122 HydrophobicContact CD1-CG2 3.68Å; F105-T122 VanDerWaalsContact CD1-OG1 3.27Å; F105-T122 WeakPolarHBondContact CD1-OG1 3.48Å; F105-T122 HydrophobicContact CG-CG2 4.25Å; Q118-T122 HydrophobicContact CG-CG2 4.16Å; Q118-T122 WeakPolarHBondContact O-CG2 3.41Å; Q118-T122 PolarHBondContact O-N 3.26Å; V119-T122 PolarHBondContact O-N 3.5Å; V119-T122 PolarHBondContact O-OG1 3.13Å; Q120-T122 VanDerWaalsContact C-N 3.32Å; Q120-T122 PolarHBondContact O-N 2.98Å; T122-T125 PolarHBondContact O-N 3.42Å; T122-L126 WeakPolarHBondContact O-CB 3.37Å; T122-L126 PolarHBondContact O-N 3.41Å
123L95.3Very high92.1Very high0 Ų027.2 Ų27.20%014%0.144CC..Hα-helixtrans-70.4-36.9-179.4-67.3173.2000111.4L33 I37 L53 L59 L62 F90 V119 Q120 S121 L126 A127L33-L123 HydrophobicContact CD1-CB 4.02Å; L33-L123 HydrophobicContact CD1-CD1 4.47Å; L33-L123 HydrophobicContact CD2-CB 3.78Å; I37-L123 HydrophobicContact CD1-CD1 4.31Å; L53-L123 HydrophobicContact CD1-CD1 4.05Å; L59-L123 HydrophobicContact CD2-CD2 4.05Å; L62-L123 HydrophobicContact CD2-CD2 4.4Å; F90-L123 HydrophobicContact CE1-CD2 4.29Å; F90-L123 HydrophobicContact CZ-CD2 3.97Å; V119-L123 HydrophobicContact CG1-CD1 4.14Å; V119-L123 WeakPolarHBondContact O-CG 3.45Å; V119-L123 PolarHBondContact O-N 3.07Å; V119-L123 VanDerWaalsContact O-N 3.12Å; Q120-L123 PolarHBondContact O-N 2.96Å; S121-L123 PolarHBondContact O-N 3.29Å; L123-L126 PolarHBondContact O-N 2.88Å; L123-A127 PolarHBondContact O-N 3.42Å
124I93.9Very high91.9Very high37 Ų3726.4 Ų26.419%0.1915%0.15CC..Hα-helixtrans-63.2-45.9173.8-66.7161.1000110.5K29 L33 Q120 S121 L126 A127 G128K29-I124 HydrophobicContact CB-CD1 4.27Å; K29-I124 HydrophobicContact CD-CD1 3.79Å; L33-I124 HydrophobicContact CD1-CG1 4.03Å; L33-I124 HydrophobicContact CD2-CG1 3.99Å; L33-I124 HydrophobicContact CG-CG1 4.11Å; Q120-I124 HydrophobicContact CG-CD1 3.9Å; Q120-I124 WeakPolarHBondContact O-CD1 3.5Å; Q120-I124 VanDerWaalsContact O-CG1 3.31Å; Q120-I124 WeakPolarHBondContact O-CG1 3.45Å; Q120-I124 PolarHBondContact O-N 3.45Å; Q120-I124 VanDerWaalsContact O-N 3.1Å; S121-I124 PolarHBondContact O-N 3.06Å; I124-L126 VanDerWaalsContact C-N 3.34Å; I124-A127 PolarHBondContact O-N 3.32Å; I124-G128 PolarHBondContact O-N 3.09Å; I124-G128 VanDerWaalsContact O-N 3.12Å
125T93.5Very high91.9Very high21 Ų2126.9 Ų26.913%0.12915%0.148CC..Hα-helixtrans-62.5-42.8176.9-62.80000111.1M99 D103 S121 T122 A127 G128 I129M99-T125 HydrophobicContact SD-CG2 3.77Å; D103-T125 HydrophobicContact CB-CG2 4.24Å; S121-T125 PolarHBondContact O-N 2.9Å; S121-T125 PolarHBondContact O-OG1 3.15Å; T122-T125 PolarHBondContact O-N 3.42Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 2.88Å; T125-G128 PolarHBondContact O-N 2.91Å; T125-I129 HydrophobicContact CG2-CD1 4.02Å; T125-I129 WeakPolarHBondContact O-CG1 2.86Å; T125-I129 PolarHBondContact O-N 3.09Å
126L94.3Very high91.4Very high1 Ų131.6 Ų31.61%0.00517%0.169CC..Hα-helixtrans-58.9-44.1176179.864.5000111.9W36 L62 L66 F90 I94 Y97 M99 T122 L123 I124 G128 I129 A130W36-L126 HydrophobicContact CH2-CG 4.48Å; L62-L126 HydrophobicContact CD2-CD2 4.24Å; L66-L126 HydrophobicContact CD1-CD1 4.45Å; L66-L126 HydrophobicContact CD1-CD2 4.36Å; L66-L126 HydrophobicContact CD1-CG 4.3Å; F90-L126 HydrophobicContact CE2-CD2 4.14Å; F90-L126 HydrophobicContact CZ-CD2 3.81Å; I94-L126 HydrophobicContact CB-CD1 4.28Å; I94-L126 HydrophobicContact CG2-CD1 4.01Å; I94-L126 HydrophobicContact CG2-CD2 3.93Å; Y97-L126 HydrophobicContact CD1-CD1 3.75Å; Y97-L126 HydrophobicContact CE1-CD1 4.07Å; M99-L126 HydrophobicContact CG-CD1 4.42Å; M99-L126 HydrophobicContact SD-CB 4.15Å; T122-L126 WeakPolarHBondContact O-CB 3.37Å; T122-L126 PolarHBondContact O-N 3.41Å; L123-L126 PolarHBondContact O-N 2.88Å; I124-L126 VanDerWaalsContact C-N 3.34Å; L126-G128 PolarHBondContact O-N 3.3Å; L126-I129 PolarHBondContact O-N 2.85Å; L126-A130 WeakPolarHBondContact O-CB 3.37Å; L126-A130 PolarHBondContact O-N 3.1Å
127A92.9Very high90.8Very high2 Ų229.8 Ų29.82%0.01716%0.164CC..Hα-helixtrans-60.4-44.4176.800000111.8W36 L123 I124 T125 I129 A130 Q131 M141W36-A127 HydrophobicContact CD2-CB 3.99Å; W36-A127 HydrophobicContact CE3-CB 4.18Å; W36-A127 HydrophobicContact CH2-CB 3.95Å; W36-A127 HydrophobicContact CZ2-CB 3.73Å; W36-A127 HydrophobicContact CZ3-CB 4.17Å; L123-A127 PolarHBondContact O-N 3.42Å; I124-A127 PolarHBondContact O-N 3.32Å; T125-A127 VanDerWaalsContact C-N 3.34Å; T125-A127 PolarHBondContact O-N 2.88Å; A127-I129 PolarHBondContact O-N 3Å; A127-A130 WeakPolarHBondContact O-CB 3.48Å; A127-A130 PolarHBondContact O-N 3.27Å; A127-Q131 PolarHBondContact O-N 3.41Å; A127-M141 CarbonylContact C-O 3.51Å; A127-M141 HydrophobicContact CB-CB 3.87Å; A127-M141 WeakPolarHBondContact CB-O 3.47Å
128G91.3Very high90.1Very high0 Ų037.7 Ų37.70%020%0.197CC..Hα-helixtrans-63.6-37.6175.500000113.3I124 T125 L126 Q131 S132 M141I124-G128 PolarHBondContact O-N 3.09Å; I124-G128 VanDerWaalsContact O-N 3.12Å; T125-G128 PolarHBondContact O-N 2.91Å; L126-G128 PolarHBondContact O-N 3.3Å; G128-Q131 PolarHBondContact O-N 3.12Å; G128-S132 PolarHBondContact O-N 2.91Å; G128-M141 PolarHBondContact N-O 2.9Å
129I91.6Very high89.3Confident18 Ų1839.1 Ų39.19%0.09220%0.204CC..Hα-helixtrans-66.9-43.7174.4-65.7170.1000110.4Y97 M99 T125 L126 A127 Q131 S132 K133 Y145Y97-I129 HydrophobicContact CD1-CG2 3.86Å; Y97-I129 HydrophobicContact CE1-CB 4.43Å; Y97-I129 HydrophobicContact CE1-CG2 3.72Å; M99-I129 HydrophobicContact CG-CD1 4.11Å; M99-I129 HydrophobicContact SD-CD1 3.82Å; T125-I129 HydrophobicContact CG2-CD1 4.02Å; T125-I129 WeakPolarHBondContact O-CG1 2.86Å; T125-I129 PolarHBondContact O-N 3.09Å; L126-I129 PolarHBondContact O-N 2.85Å; A127-I129 PolarHBondContact O-N 3Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 3.31Å; I129-S132 WeakPolarHBondContact O-CB 3.39Å; I129-S132 PolarHBondContact O-N 3.25Å; I129-S132 VanDerWaalsContact O-N 3.08Å; I129-S132 PolarHBondContact O-OG 2.96Å; I129-K133 PolarHBondContact O-N 3.2Å; I129-Y145 HydrophobicContact CG1-CD2 3.99Å; I129-Y145 HydrophobicContact CG1-CE2 3.83Å
130A91.8Very high88.3Confident1 Ų142.3 Ų42.31%0.00822%0.22CC..Hα-helixtrans-58-43.7176.900000111.3W36 L66 Y97 L126 A127 S132 K133 G134 F135W36-A130 HydrophobicContact CZ2-CB 4.42Å; L66-A130 HydrophobicContact CD1-CB 4.28Å; L66-A130 HydrophobicContact CD2-CB 3.89Å; Y97-A130 HydrophobicContact CE1-CB 4.43Å; Y97-A130 WeakPolarHBondContact OH-CA 3.41Å; L126-A130 WeakPolarHBondContact O-CB 3.37Å; L126-A130 PolarHBondContact O-N 3.1Å; A127-A130 WeakPolarHBondContact O-CB 3.48Å; A127-A130 PolarHBondContact O-N 3.27Å; A130-S132 VanDerWaalsContact C-N 3.34Å; A130-S132 PolarHBondContact O-N 2.71Å; A130-K133 PolarHBondContact O-N 3.27Å; A130-K133 VanDerWaalsContact O-N 3.15Å; A130-G134 PolarHBondContact O-N 3.08Å; A130-F135 HydrophobicContact CB-CB 4.25Å; A130-F135 WeakPolarHBondContact O-CB 3.27Å; A130-F135 PolarHBondContact O-N 3.18Å
131Q90.1Very high87.2Confident34 Ų3443 Ų4316%0.15922%0.224CC..Hα-helixtrans-62.4-39.9174.5-162.3-173.941.200112.3A127 G128 I129 K133 G134 F135 D140A127-Q131 PolarHBondContact O-N 3.41Å; G128-Q131 PolarHBondContact O-N 3.12Å; I129-Q131 VanDerWaalsContact C-N 3.29Å; I129-Q131 PolarHBondContact O-N 3.31Å; Q131-K133 PolarHBondContact O-N 3.08Å; Q131-G134 PolarHBondContact O-N 3.01Å; Q131-F135 WeakPolarHBondContact CA-O 3.18Å; Q131-D140 PolarHBondContact NE2-OD2 3.31Å
132S87Confident85.9Confident30 Ų3042.2 Ų42.221%0.2122%0.224CC..Hα-helixtrans-64-28.6176.5790000113.2G128 I129 A130 G134G128-S132 PolarHBondContact O-N 2.91Å; I129-S132 WeakPolarHBondContact O-CB 3.39Å; I129-S132 PolarHBondContact O-N 3.25Å; I129-S132 VanDerWaalsContact O-N 3.08Å; I129-S132 PolarHBondContact O-OG 2.96Å; A130-S132 VanDerWaalsContact C-N 3.34Å; A130-S132 PolarHBondContact O-N 2.71Å; S132-G134 VanDerWaalsContact C-N 3.27Å; S132-G134 PolarHBondContact O-N 3.36Å
133K88.1Confident84.8Confident107 Ų10747.8 Ų47.847%0.46526%0.257SS..THydrogen-bonded Turntrans-83.61.7175.1-71.6-175.4175.3-173.10113.8Y97 I129 A130 Q131Y97-K133 VanDerWaalsContact CD2-NZ 3.34Å; Y97-K133 HydrophobicContact CE1-CD 3.94Å; Y97-K133 HydrophobicContact CE2-CD 3.93Å; Y97-K133 VanDerWaalsContact O-CE 3.25Å; Y97-K133 WeakPolarHBondContact O-CE 3.29Å; Y97-K133 PolarHBondContact O-NZ 3.04Å; I129-K133 PolarHBondContact O-N 3.2Å; A130-K133 PolarHBondContact O-N 3.27Å; A130-K133 VanDerWaalsContact O-N 3.15Å; Q131-K133 PolarHBondContact O-N 3.08Å
134G84.3Confident83.5Confident46 Ų4654.1 Ų54.147%0.47429%0.285SS..THydrogen-bonded Turntrans86.114.8177.800000114.4A130 Q131 S132 H136A130-G134 PolarHBondContact O-N 3.08Å; Q131-G134 PolarHBondContact O-N 3.01Å; S132-G134 VanDerWaalsContact C-N 3.27Å; S132-G134 PolarHBondContact O-N 3.36Å; G134-H136 PolarHBondContact O-CD2 2.93Å
135F86.1Confident82.3Confident65 Ų6557.5 Ų57.529%0.28530%0.296SS..  trans-79.1119.3167.6-167-80.2000108.8V40 L66 A130 Q131V40-F135 HydrophobicContact CG1-CE1 4.26Å; V40-F135 HydrophobicContact CG1-CZ 4.05Å; V40-F135 HydrophobicContact CG2-CE1 3.86Å; V40-F135 HydrophobicContact CG2-CZ 4.39Å; L66-F135 HydrophobicContact CD2-CB 4.47Å; L66-F135 HydrophobicContact CD2-CD1 3.85Å; L66-F135 HydrophobicContact CD2-CD2 3.88Å; L66-F135 HydrophobicContact CD2-CE1 4.05Å; L66-F135 HydrophobicContact CD2-CE2 4.04Å; L66-F135 HydrophobicContact CD2-CG 3.78Å; L66-F135 HydrophobicContact CD2-CZ 4.12Å; A130-F135 HydrophobicContact CB-CB 4.25Å; A130-F135 WeakPolarHBondContact O-CB 3.27Å; A130-F135 PolarHBondContact O-N 3.18Å; Q131-F135 WeakPolarHBondContact CA-O 3.18Å
136H79.6Confident80.8Confident128 Ų12861.5 Ų61.559%0.59333%0.331SS*.  trans-113.9123.5-179.8-67.9-65.3000110.1G134 D140G134-H136 PolarHBondContact O-CD2 2.93Å; H136-D140 IonicContact ND1-OD2 2.93Å; H136-D140 PolarHBondContact ND1-OD2 2.91Å
137S80.5Confident79.3Confident16 Ų1666.6 Ų66.611%0.11236%0.363CS..  trans-110.6162.7175.559.80000109.7W36 D39 H139 D140W36-S137 PolarHBondContact NE1-OG 3.09Å; D39-S137 WeakPolarHBondContact OD2-CB 3.31Å; S137-H139 PolarHBondContact O-N 3.48Å; S137-H139 PolarHBondContact OG-O 3.35Å; S137-D140 WeakPolarHBondContact CA-OD1 3.39Å; S137-D140 PolarHBondContact N-OD1 2.94Å; S137-D140 PolarHBondContact OG-N 2.9Å; S137-D140 PolarHBondContact OG-OD1 3.39Å
138K77.4Confident78.3Confident179 Ų17971.1 Ų71.178%0.77840%0.4SS*.THydrogen-bonded Turntrans-66.1-30.9174.7-68.3179.3-177.8171.40112D39D39-K138 PolarHBondContact OD2-N 3.33Å
139H78.3Confident77.5Confident80 Ų8078.4 Ų78.437%0.3743%0.433SS..THydrogen-bonded Turntrans-10960.7179.6-56.598.9000109.6L35 W36 S137 M141L35-H139 HydrophobicContact CB-CB 4.41Å; W36-H139 HydrophobicContact CB-CB 4.49Å; S137-H139 PolarHBondContact O-N 3.48Å; S137-H139 PolarHBondContact OG-O 3.35Å; H139-M141 WeakPolarHBondContact O-CG 3.46Å; H139-M141 PolarHBondContact O-N 3.42Å
140D73.3Confident76.7Confident66 Ų6685.3 Ų85.335%0.35347%0.465SS..  trans-59.2121.8180-923.1000110.8Q131 H136 S137Q131-D140 PolarHBondContact NE2-OD2 3.31Å; H136-D140 IonicContact ND1-OD2 2.93Å; H136-D140 PolarHBondContact ND1-OD2 2.91Å; S137-D140 WeakPolarHBondContact CA-OD1 3.39Å; S137-D140 PolarHBondContact N-OD1 2.94Å; S137-D140 PolarHBondContact OG-N 2.9Å; S137-D140 PolarHBondContact OG-OD1 3.39Å
141M73.1Confident76Confident20 Ų2094.2 Ų94.210%0.09950%0.499CS..  trans-122.8141.9-170.9-85.4-75.7-82.700110.7E32 L33 W36 A127 G128 H139E32-M141 HydrophobicContact CB-CE 3.28Å; E32-M141 HydrophobicContact CB-CG 4.34Å; E32-M141 HydrophobicContact CB-SD 3.42Å; E32-M141 WeakPolarHBondContact CB-SD 3.46Å; E32-M141 HydrophobicContact CG-CE 4.37Å; E32-M141 HydrophobicContact CG-SD 4.17Å; E32-M141 WeakPolarHBondContact OE2-CE 3.43Å; L33-M141 HydrophobicContact CD2-CE 4.21Å; L33-M141 HydrophobicContact CG-CE 4.09Å; W36-M141 HydrophobicContact CB-CG 4.17Å; W36-M141 HydrophobicContact CG-CB 4.38Å; W36-M141 HydrophobicContact CG-CG 4.49Å; A127-M141 CarbonylContact C-O 3.51Å; A127-M141 HydrophobicContact CB-CB 3.87Å; A127-M141 WeakPolarHBondContact CB-O 3.47Å; G128-M141 PolarHBondContact N-O 2.9Å; H139-M141 WeakPolarHBondContact O-CG 3.46Å; H139-M141 PolarHBondContact O-N 3.42Å
142G66.4Low75.6Confident34 Ų34103.7 Ų103.735%0.35153%0.533SS..SBendtrans88.8174.3179.200000114.2
143V72.1Confident75.4Confident118 Ų118107 Ų10772%0.71554%0.544SS*.  trans-91.6127.1179.5179.70000108.7Y145V143-Y145 PolarHBondContact O-N 3.32Å
144K68.1Low75.3Confident134 Ų134104.7 Ų104.758%0.58354%0.544SS*.  trans-59.1112.9172.6-174.7174.7-178.4172.90110A146K144-A146 PolarHBondContact O-N 3.4Å
145Y68.8Low75.2Confident108 Ų108107.1 Ų107.142%0.42455%0.552SS.*  trans-65.8132.3174.1-68.8-84.8000110.5I129 V143 T147I129-Y145 HydrophobicContact CG1-CD2 3.99Å; I129-Y145 HydrophobicContact CG1-CE2 3.83Å; V143-Y145 PolarHBondContact O-N 3.32Å; Y145-T147 PolarHBondContact O-N 3.12Å
146A62.5Low75Confident104 Ų104109.8 Ų109.886%0.8657%0.569SS**  trans-72115.9177.100000110.1K144K144-A146 PolarHBondContact O-N 3.4Å
147T62.8Low74.9Confident109 Ų109109.2 Ų109.267%0.66957%0.568SS**  trans-76.1134.8170.446.50000110.2Y145 H149Y145-T147 PolarHBondContact O-N 3.12Å; T147-H149 PolarHBondContact O-N 2.93Å
148A72.1Confident74.9Confident96 Ų96113.1 Ų113.179%0.79359%0.587SS**  trans-62.3104.6174.600000110.2Q150A148-Q150 PolarHBondContact O-N 3.46Å
149H73.8Confident75Confident153 Ų153111.4 Ų111.471%0.70858%0.58SS**  trans-84.589.6175.4-175.9-81.3000109.4T147 R151T147-H149 PolarHBondContact O-N 2.93Å; H149-R151 PolarHBondContact O-N 3.31Å
150Q74.2Confident75Confident163 Ų163113.4 Ų113.476%0.76259%0.59SS**  trans-66.3103.8172.9-71.8-173.3-24.600109.4A148 R152A148-Q150 PolarHBondContact O-N 3.46Å; Q150-R152 PolarHBondContact O-N 2.93Å; Q150-R152 VanDerWaalsContact O-N 3.13Å
151R78.6Confident75Confident188 Ų188112.4 Ų112.471%0.70960%0.595SS**  trans-67.9110.3172.6-66.6-179.7-177.61740.7108H149 F153H149-R151 PolarHBondContact O-N 3.31Å; R151-F153 HydrophobicContact CB-CE1 4.48Å; R151-F153 HydrophobicContact CB-CE2 3.94Å; R151-F153 HydrophobicContact CB-CZ 3.89Å
152R79.9Confident74.8Confident234 Ų234121.7 Ų121.788%0.88363%0.629SS**  trans-83.2113.8169.4-65.5-171.4178.8-152.3-0.3107.7Q150Q150-R152 PolarHBondContact O-N 2.93Å; Q150-R152 VanDerWaalsContact O-N 3.13Å
153F84.6Confident74.8Confident99 Ų99125.3 Ų125.343%0.43464%0.64SS.*  trans-90.6143.3170.5-61.3-72.7000108.8R151 M157 L158R151-F153 HydrophobicContact CB-CE1 4.48Å; R151-F153 HydrophobicContact CB-CE2 3.94Å; R151-F153 HydrophobicContact CB-CZ 3.89Å; F153-M157 HydrophobicContact CB-SD 4.37Å; F153-M157 HydrophobicContact CD1-CE 3.85Å; F153-M157 HydrophobicContact CD1-SD 3.61Å; F153-M157 HydrophobicContact CE1-CE 4.06Å; F153-M157 HydrophobicContact CE1-SD 4.39Å; F153-M157 HydrophobicContact CG-SD 4.4Å; F153-L158 HydrophobicContact CB-CD1 4.21Å; F153-L158 HydrophobicContact CB-CD2 4.11Å; F153-L158 HydrophobicContact CB-CG 3.84Å; F153-L158 HydrophobicContact CD2-CD2 4.39Å
154A85.6Confident74.6Confident58 Ų58125.1 Ų125.148%0.47964%0.639SS.*  trans-58.8145.3172.300000109.8D156 M157 L158A154-D156 PolarHBondContact O-N 2.89Å; A154-M157 HydrophobicContact CB-CB 4.44Å; A154-M157 WeakPolarHBondContact O-CB 3.31Å; A154-M157 PolarHBondContact O-N 2.93Å; A154-L158 PolarHBondContact O-N 3.22Å; A154-L158 VanDerWaalsContact O-N 3.08Å
155P81.6Confident74.2Confident98 Ų98123.4 Ų123.464%0.63664%0.635SS**Hα-helixtrans-57.4-34.5-179.223.1-33.2000112.3L158 K159P155-L158 PolarHBondContact O-N 3.43Å; P155-K159 WeakPolarHBondContact O-CB 3.4Å; P155-K159 PolarHBondContact O-N 3.01Å
156D81.9Confident73.9Confident120 Ų120120.2 Ų120.264%0.64264%0.635SS**Hα-helixtrans-66.1-40.2176.9-56.9-36.7000111.9A154 L158 K159 E160A154-D156 PolarHBondContact O-N 2.89Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.2Å; D156-K159 WeakPolarHBondContact O-CB 3.38Å; D156-K159 PolarHBondContact O-N 3.47Å; D156-E160 WeakPolarHBondContact O-CG 3.4Å; D156-E160 PolarHBondContact O-N 3.17Å
157M77.7Confident73.8Confident117 Ų117123.3 Ų123.358%0.57664%0.636SS**Hα-helixtrans-65.9-37.2175.4-174.9179178.200112F153 A154 K159 G161F153-M157 HydrophobicContact CB-SD 4.37Å; F153-M157 HydrophobicContact CD1-CE 3.85Å; F153-M157 HydrophobicContact CD1-SD 3.61Å; F153-M157 HydrophobicContact CE1-CE 4.06Å; F153-M157 HydrophobicContact CE1-SD 4.39Å; F153-M157 HydrophobicContact CG-SD 4.4Å; A154-M157 HydrophobicContact CB-CB 4.44Å; A154-M157 WeakPolarHBondContact O-CB 3.31Å; A154-M157 PolarHBondContact O-N 2.93Å; M157-K159 VanDerWaalsContact C-N 3.33Å; M157-G161 PolarHBondContact O-N 3.03Å
158L80.3Confident73.4Confident97 Ų97127 Ų12751%0.50865%0.646SS.*Hα-helixtrans-67.4-35.6173.9-72.1161.6000111.8F153 A154 P155 D156F153-L158 HydrophobicContact CB-CD1 4.21Å; F153-L158 HydrophobicContact CB-CD2 4.11Å; F153-L158 HydrophobicContact CB-CG 3.84Å; F153-L158 HydrophobicContact CD2-CD2 4.39Å; A154-L158 PolarHBondContact O-N 3.22Å; A154-L158 VanDerWaalsContact O-N 3.08Å; P155-L158 PolarHBondContact O-N 3.43Å; D156-L158 VanDerWaalsContact C-N 3.34Å; D156-L158 PolarHBondContact O-N 3.2Å
159K79.9Confident72.8Confident143 Ų143130.1 Ų130.162%0.62265%0.646SS**Hα-helixtrans-68.5-44.8176.1-169.2177.8-179.7-177.80111.2P155 D156 M157 G161 R162P155-K159 WeakPolarHBondContact O-CB 3.4Å; P155-K159 PolarHBondContact O-N 3.01Å; D156-K159 WeakPolarHBondContact O-CB 3.38Å; D156-K159 PolarHBondContact O-N 3.47Å; M157-K159 VanDerWaalsContact C-N 3.33Å; K159-G161 VanDerWaalsContact C-N 3.31Å; K159-G161 PolarHBondContact O-N 3.23Å; K159-R162 WeakPolarHBondContact O-CB 3.21Å; K159-R162 PolarHBondContact O-N 3.29Å; K159-R162 VanDerWaalsContact O-N 3.15Å
160E77.8Confident71.9Confident123 Ų123125.6 Ų125.658%0.57564%0.641SS**Hα-helixtrans-64.8-33.9175.2-70-56154.300112.6D156 R162 N163D156-E160 WeakPolarHBondContact O-CG 3.4Å; D156-E160 PolarHBondContact O-N 3.17Å; E160-R162 PolarHBondContact O-N 3.02Å; E160-N163 WeakPolarHBondContact O-CB 3.38Å; E160-N163 PolarHBondContact O-N 3.03Å; E160-N163 PolarHBondContact OE2-ND2 3.4Å
161G74.4Confident70.7Confident45 Ų45121 Ų12146%0.46462%0.624SS.*Hα-helixtrans-60.2-27.1173.600000114M157 K159 N163 V164M157-G161 PolarHBondContact O-N 3.03Å; K159-G161 VanDerWaalsContact C-N 3.31Å; K159-G161 PolarHBondContact O-N 3.23Å; G161-N163 PolarHBondContact O-N 3.39Å; G161-V164 PolarHBondContact O-N 3.15Å
162R68.1Low69.5Low214 Ų214118.6 Ų118.681%0.80863%0.625SS**THydrogen-bonded Turntrans-70.6-19.8175.7-63.6177.4179.6-175.3-1.1112.9K159 E160 V164K159-R162 WeakPolarHBondContact O-CB 3.21Å; K159-R162 PolarHBondContact O-N 3.29Å; K159-R162 VanDerWaalsContact O-N 3.15Å; E160-R162 PolarHBondContact O-N 3.02Å; R162-V164 VanDerWaalsContact C-N 3.31Å
163N66Low68.1Low111 Ų111117 Ų11759%0.59462%0.624SS**THydrogen-bonded Turntrans-84.5-6.6178.3-62.2-27.9000112.6E160 G161 I165E160-N163 WeakPolarHBondContact O-CB 3.38Å; E160-N163 PolarHBondContact O-N 3.03Å; E160-N163 PolarHBondContact OE2-ND2 3.4Å; G161-N163 PolarHBondContact O-N 3.39Å; N163-I165 PolarHBondContact O-N 3.32Å
164V67.4Low66.7Low114 Ų114119.7 Ų119.769%0.69164%0.643SS**  trans-89.296.7178.2-175.90000109.6G161 R162 G166G161-V164 PolarHBondContact O-N 3.15Å; R162-V164 VanDerWaalsContact C-N 3.31Å; V164-G166 PolarHBondContact O-N 3.22Å
165I61.2Low65.2Low97 Ų97120.9 Ų120.950%0.49765%0.653SS.*  trans-77113.2173.3-58178.2000108.3N163 M169N163-I165 PolarHBondContact O-N 3.32Å; I165-M169 HydrophobicContact CG2-CB 3.63Å
166G62.3Low64Low42 Ų42120.3 Ų120.343%0.43365%0.651SS.*  trans-56.8146.617500000111.6V164 Q168 M169V164-G166 PolarHBondContact O-N 3.22Å; G166-Q168 PolarHBondContact O-N 2.67Å; G166-M169 PolarHBondContact O-N 2.83Å
167L59.5Low62.5Low168 Ų168122 Ų12288%0.8866%0.655SS**THydrogen-bonded Turntrans-53.2-24.5-173.5-130.1109.6000114.5
168Q55.5Low61Low186 Ų186125.6 Ų125.687%0.86967%0.667SS**THydrogen-bonded Turntrans-81.8-19.9178.1-68.9-175.6-19.500114.2G166 G170G166-Q168 PolarHBondContact O-N 2.67Å; Q168-G170 VanDerWaalsContact C-N 3.34Å; Q168-G170 PolarHBondContact O-N 2.92Å
169M57.5Low59.7Low163 Ų163124.6 Ų124.680%0.80368%0.681SS**SBendtrans-90.57.5-174-68.7-79.5-90.600113.3I165 G166I165-M169 HydrophobicContact CG2-CB 3.63Å; G166-M169 PolarHBondContact O-N 2.83Å
170G54.9Low58.1Low57 Ų57124.6 Ų124.659%0.58869%0.685SS**SBendtrans-152.810.2-172.900000117.2Q168Q168-G170 VanDerWaalsContact C-N 3.34Å; Q168-G170 PolarHBondContact O-N 2.92Å
171T49.4Very low57Low66 Ų66124 Ų12441%0.40569%0.69SS.*  trans-95.6104.4176.6177.30000111.9K173 L174T171-K173 PolarHBondContact O-N 2.95Å; T171-K173 PolarHBondContact OG1-N 3.17Å; T171-L174 HydrophobicContact CG2-CD1 4.36Å
172N54.2Low55.6Low139 Ų139126 Ų12674%0.74370%0.696SS**THydrogen-bonded Turntrans-78.3-3.2166-161.7-69.5000111.5L174N172-L174 VanDerWaalsContact C-N 3.28Å; N172-L174 PolarHBondContact O-N 3.31Å
173K51.2Low54.5Low199 Ų199127 Ų12787%0.86570%0.702SS**THydrogen-bonded Turntrans-71.9-15.8-171.6-72.3-173.2176.1-178.60114.8T171T171-K173 PolarHBondContact O-N 2.95Å; T171-K173 PolarHBondContact OG1-N 3.17Å
174L54.4Low53.7Low156 Ų156125.3 Ų125.382%0.81771%0.71SS**SBendtrans-105.3-20-172.7-65.6167.2000114T171 N172T171-L174 HydrophobicContact CG2-CD1 4.36Å; N172-L174 VanDerWaalsContact C-N 3.28Å; N172-L174 PolarHBondContact O-N 3.31Å
175A54.7Low52.6Low84 Ų84123.9 Ų123.969%0.69470%0.702SS**  trans-123.980.4-176.900000111.2
176S55.3Low51.7Low85 Ų85129.9 Ų129.959%0.59472%0.718SS**  trans-84.8126.7168.9-170.60000110K178S176-K178 PolarHBondContact O-N 3.37Å; S176-K178 VanDerWaalsContact O-N 3.09Å; S176-K178 PolarHBondContact OG-N 3.33Å
177Q50.5Low51Low156 Ų156139.7 Ų139.773%0.72974%0.742SS**  trans-73.414.8170-160.1-177.955.700112.4G179 M180Q177-G179 PolarHBondContact O-N 3.24Å; Q177-M180 HydrophobicContact CG-CB 3.89Å; Q177-M180 HydrophobicContact CG-CG 3.88Å
178K45.6Very low50.3Low192 Ų192140.5 Ų140.584%0.83574%0.741SS**THydrogen-bonded Turntrans-70.7112.3169.9-85.1-172.7170.8-175.30108.8S176S176-K178 PolarHBondContact O-N 3.37Å; S176-K178 VanDerWaalsContact O-N 3.09Å; S176-K178 PolarHBondContact OG-N 3.33Å
179G53Low49.4Very low77 Ų77139.9 Ų139.979%0.79474%0.743SS**THydrogen-bonded Turntrans103.52.7176.300000115.5Q177 T181Q177-G179 PolarHBondContact O-N 3.24Å; G179-T181 PolarHBondContact O-N 3.12Å
180M47.3Very low48.9Very low143 Ų143138.9 Ų138.970%0.70473%0.731SS**PPolyproline II helixtrans-73.7116.1171.6-69.8-123.767.100110.2Q177Q177-M180 HydrophobicContact CG-CB 3.89Å; Q177-M180 HydrophobicContact CG-CG 3.88Å
181T54.6Low48.3Very low110 Ų110141.4 Ų141.468%0.67573%0.731SS**PPolyproline II helixtrans-77.1129.8173.5-6.90000109.1G179 Y183 T185G179-T181 PolarHBondContact O-N 3.12Å; T181-Y183 PolarHBondContact O-N 3.38Å; T181-T185 HydrophobicContact CG2-CG2 4.14Å
182S45.6Very low48.2Very low87 Ų87143.7 Ų143.761%0.60875%0.747SS**PPolyproline II helixtrans-54.8138.7176-1790000110.9G184 T185S182-G184 PolarHBondContact O-N 2.79Å; S182-T185 PolarHBondContact O-N 2.86Å; S182-T185 VanDerWaalsContact O-N 3.1Å; S182-T185 PolarHBondContact O-OG1 3.49Å
183Y44.1Very low48.1Very low236 Ų236148.2 Ų148.293%0.92575%0.754SS**THydrogen-bonded Turntrans-57.8123.7171.2-122.2-94.6000108.7T181T181-Y183 PolarHBondContact O-N 3.38Å
184G48.8Very low48Very low74 Ų74141 Ų14176%0.76374%0.736SS**THydrogen-bonded Turntrans99.9-5.6-176.900000116S182 R186S182-G184 PolarHBondContact O-N 2.79Å; G184-R186 PolarHBondContact O-N 2.84Å
185T45.6Very low47.7Very low84 Ų84137.2 Ų137.252%0.51574%0.735SS.*  trans-67.3123171.3-59.50000110T181 S182 R187T181-T185 HydrophobicContact CG2-CG2 4.14Å; S182-T185 PolarHBondContact O-N 2.86Å; S182-T185 VanDerWaalsContact O-N 3.1Å; S182-T185 PolarHBondContact O-OG1 3.49Å; T185-R187 PolarHBondContact O-N 2.9Å
186R42.4Very low47.1Very low224 Ų224139.9 Ų139.985%0.84573%0.734SS**  trans-62.1127.6-179.6-65.1-166.9-170.8-148.94.6110G184 H188G184-R186 PolarHBondContact O-N 2.84Å; R186-H188 PolarHBondContact O-N 3.44Å
187R46.4Very low46.7Very low248 Ų248144.5 Ų144.594%0.93675%0.747SS**  trans-72.3110.5168.2-67.2-179.3173.8169.5-2.1107.6T185 L189T185-R187 PolarHBondContact O-N 2.9Å; R187-L189 PolarHBondContact O-N 3.31Å
188H46.3Very low46.5Very low184 Ų184143.6 Ų143.685%0.85275%0.747SS**PPolyproline II helixtrans-65.2120.1172.1-85-95.2000108.9R186 Y190R186-H188 PolarHBondContact O-N 3.44Å; H188-Y190 PolarHBondContact O-N 2.89Å
189L36.4Very low46.6Very low174 Ų174140.3 Ų140.391%0.91175%0.745SS**PPolyproline II helixtrans-75.7117.3169.1-168.666.9000107.2R187 D191R187-L189 PolarHBondContact O-N 3.31Å; L189-D191 PolarHBondContact O-N 3.01Å
190Y45.6Very low46.3Very low142 Ų142144.2 Ų144.256%0.55775%0.747SS**PPolyproline II helixtrans-77.3121.3-176.8-159.3-87.3000109.7H188 M196H188-Y190 PolarHBondContact O-N 2.89Å; Y190-M196 HydrophobicContact CE2-CE 3.92Å; Y190-M196 WeakPolarHBondContact OH-CE 3.48Å; Y190-M196 VanDerWaalsContact OH-CG 3.32Å; Y190-M196 WeakPolarHBondContact OH-CG 3.08Å
191D42.8Very low45.9Very low109 Ų109143.4 Ų143.458%0.58375%0.745SS**  trans-90.6114.9167.5-173-13.7000108.6L189 R193 G194L189-D191 PolarHBondContact O-N 3.01Å; D191-R193 PolarHBondContact O-N 3.49Å; D191-R193 PolarHBondContact OD1-N 2.78Å; D191-G194 PolarHBondContact O-N 3.29Å
192P47Very low45.8Very low114 Ų114147.4 Ų147.474%0.7476%0.757SS**THydrogen-bonded Turntrans-64.4-6.2-176.8-19.431.6000115.4
193R52.9Low45.6Very low234 Ų234147 Ų14788%0.88375%0.754SS**THydrogen-bonded Turntrans-98.8-7.3-175.9-63.1-176.6-170.6175.34.3114.8D191 G195D191-R193 PolarHBondContact O-N 3.49Å; D191-R193 PolarHBondContact OD1-N 2.78Å; R193-G195 PolarHBondContact O-N 3.21Å
194G49.9Very low45.8Very low48 Ų48141.5 Ų141.550%0.49575%0.745SS.*SBendtrans-86.8100.616900000109.6D191 M196D191-G194 PolarHBondContact O-N 3.29Å; G194-M196 PolarHBondContact O-N 3.22Å
195G47.9Very low45.5Very low77 Ų77144.5 Ų144.579%0.79474%0.742SS**PPolyproline II helixtrans-51135174.800000111.3R193 E197R193-G195 PolarHBondContact O-N 3.21Å; G195-E197 PolarHBondContact O-N 3.3Å
196M42.2Very low45.7Very low139 Ų139144.2 Ų144.269%0.68574%0.744SS**PPolyproline II helixtrans-66129.3172.5-68.6-174.117100108.8Y190 G194 N198Y190-M196 HydrophobicContact CE2-CE 3.92Å; Y190-M196 WeakPolarHBondContact OH-CE 3.48Å; Y190-M196 VanDerWaalsContact OH-CG 3.32Å; Y190-M196 WeakPolarHBondContact OH-CG 3.08Å; G194-M196 PolarHBondContact O-N 3.22Å; M196-N198 PolarHBondContact O-N 3.24Å
197E46.9Very low45.7Very low182 Ų182141.3 Ų141.385%0.8574%0.744SS**PPolyproline II helixtrans-59.6127150.2-99.6-170153.300107G195G195-E197 PolarHBondContact O-N 3.3Å
198N45.9Very low45.7Very low137 Ų137137.9 Ų137.973%0.73374%0.739SS**PPolyproline II helixtrans-55.5137.3175.5-69.5-29.8000109M196 L200M196-N198 PolarHBondContact O-N 3.24Å; N198-L200 PolarHBondContact O-N 3.03Å
199P46.4Very low45.4Very low123 Ų123137 Ų13780%0.79974%0.737SS**PPolyproline II helixtrans-56.9120.5172.322.7-30.2000108.3D201P199-D201 PolarHBondContact O-N 3.25Å
200L46.9Very low45.7Very low160 Ų160131.6 Ų131.684%0.83872%0.723SS**PPolyproline II helixtrans-55.8139.8175.1-99.985.1000109.7N198N198-L200 PolarHBondContact O-N 3.03Å
201D39.8Very low45.4Very low125 Ų125128.8 Ų128.867%0.66872%0.721SS**  trans-22124.1-178.8-165.812.4000116.2P199 S203P199-D201 PolarHBondContact O-N 3.25Å; D201-S203 PolarHBondContact O-N 3.11Å; D201-S203 VanDerWaalsContact O-N 3.16Å; D201-S203 PolarHBondContact OD1-OG 3.29Å; D201-S203 PolarHBondContact OD2-OG 3.06Å
202Q51.6Low45.6Very low194 Ų194130.6 Ų130.691%0.90773%0.731SS**THydrogen-bonded Turntrans-82.717.2-177.2-144.9165.812.400112.7
203S42.5Very low45.4Very low79 Ų79134.9 Ų134.955%0.55274%0.738SS**THydrogen-bonded Turntrans-93.4-12.1-174.272.30000114.3D201D201-S203 PolarHBondContact O-N 3.11Å; D201-S203 VanDerWaalsContact O-N 3.16Å; D201-S203 PolarHBondContact OD1-OG 3.29Å; D201-S203 PolarHBondContact OD2-OG 3.06Å
204T48.8Very low45.2Very low120 Ų120127.4 Ų127.474%0.73673%0.733SS**  trans-124.595.5-178.6-540000111.7S206T204-S206 PolarHBondContact O-N 3.37Å
205I42.4Very low44.9Very low138 Ų138129.3 Ų129.371%0.70874%0.744SS**  trans-82.3108.4172.1-61.9162000108.1M209I205-M209 HydrophobicContact CG2-CB 4.16Å
206S48.7Very low44.8Very low78 Ų78131.8 Ų131.855%0.54574%0.739SS.*  trans-70.3140.6169.948.80000110.4T204 Q208 M209T204-S206 PolarHBondContact O-N 3.37Å; S206-Q208 PolarHBondContact O-N 3.09Å; S206-M209 PolarHBondContact O-N 3.38Å
207L43.2Very low45.1Very low163 Ų163131.2 Ų131.285%0.85374%0.735SS**G310 helixtrans-53.6-12.7-168.3-156.371.1000115.3
208Q44.7Very low44.9Very low176 Ų176126.2 Ų126.282%0.82272%0.72SS**G310 helixtrans-81.8-17.7-179.4-160.1169.71.700113.9S206 G210S206-Q208 PolarHBondContact O-N 3.09Å; Q208-G210 VanDerWaalsContact C-N 3.35Å
209M40.8Very low45Very low164 Ų164123 Ų12381%0.80872%0.719SS**G310 helixtrans-84.4-7.9-179.3-70.2-104.2-92.100113.8I205 S206I205-M209 HydrophobicContact CG2-CB 4.16Å; S206-M209 PolarHBondContact O-N 3.38Å
210G43Very low44.6Very low61 Ų61124.2 Ų124.263%0.62972%0.716SS**G310 helixtrans-118.68.3-173.100000115.8Q208Q208-G210 VanDerWaalsContact C-N 3.35Å
211T38.8Very low44.7Very low83 Ų83121 Ų12151%0.50970%0.703SS.*  trans-132.3123179.888.50000112.7K213T211-K213 PolarHBondContact O-N 3.03Å
212N48Very low44.9Very low147 Ų147116.9 Ų116.979%0.78669%0.687SS**  trans-87.419.4169.532.9-33.1000111.7G214N212-G214 VanDerWaalsContact C-N 3.25Å; N212-G214 PolarHBondContact O-N 2.97Å
213K41.2Very low44.2Very low205 Ų205114.4 Ų114.489%0.89169%0.687SS**SBendtrans-78.2-1.3177.3-93-173.6175.1-178.90114.4T211T211-K213 PolarHBondContact O-N 3.03Å
214G48.9Very low44.3Very low76 Ų76114.8 Ų114.878%0.78470%0.704SS**SBendtrans-118.6-9.4-178.700000116N212N212-G214 VanDerWaalsContact C-N 3.25Å; N212-G214 PolarHBondContact O-N 2.97Å
215A44.6Very low44Very low88 Ų88112.4 Ų112.473%0.72769%0.689SS**  trans-111.379.5-178.100000110.1Q217A215-Q217 PolarHBondContact O-N 2.84Å
216N46.3Very low43.7Very low129 Ų129116.6 Ų116.669%0.6970%0.696SS**  trans-80.7110.9164.3-175.95.8000108.3S218N216-S218 PolarHBondContact ND2-OG 3.36Å; N216-S218 PolarHBondContact O-N 3.01Å; N216-S218 VanDerWaalsContact OD1-CB 3.27Å; N216-S218 WeakPolarHBondContact OD1-CB 3.5Å; N216-S218 PolarHBondContact OD1-N 2.87Å; N216-S218 PolarHBondContact OD1-OG 3.04Å
217Q48.8Very low43.3Very low128 Ų128123.8 Ų123.860%0.59871%0.711SS**  trans-83.82.8179.5-156.1173.663.200112.7A215 G219 M220A215-Q217 PolarHBondContact O-N 2.84Å; Q217-G219 PolarHBondContact O-N 3.47Å; Q217-G219 VanDerWaalsContact O-N 3.16Å; Q217-M220 HydrophobicContact CG-CG 4.28Å; Q217-M220 HydrophobicContact CG-SD 3.87Å
218S41.6Very low43Very low76 Ų76123.6 Ų123.653%0.53171%0.705SS.*THydrogen-bonded Turntrans-63.9116.7172.968.50000110.1N216N216-S218 PolarHBondContact ND2-OG 3.36Å; N216-S218 PolarHBondContact O-N 3.01Å; N216-S218 VanDerWaalsContact OD1-CB 3.27Å; N216-S218 WeakPolarHBondContact OD1-CB 3.5Å; N216-S218 PolarHBondContact OD1-N 2.87Å; N216-S218 PolarHBondContact OD1-OG 3.04Å
219G47.2Very low42.6Very low70 Ų70123.4 Ų123.472%0.72271%0.709SS**THydrogen-bonded Turntrans101.47.7174.100000116.3Q217 T221Q217-G219 PolarHBondContact O-N 3.47Å; Q217-G219 VanDerWaalsContact O-N 3.16Å; G219-T221 PolarHBondContact O-N 3.16Å
220M40Very low42.6Very low149 Ų149125.1 Ų125.173%0.73471%0.707SS**  trans-77105.4172-67.8-167.171.300111.1Q217Q217-M220 HydrophobicContact CG-CG 4.28Å; Q217-M220 HydrophobicContact CG-SD 3.87Å
221T47.1Very low42.3Very low92 Ų92127.8 Ų127.856%0.56471%0.707SS**  trans-88.9133.4171.3-45.30000110.1G219 T225G219-T221 PolarHBondContact O-N 3.16Å; T221-T225 HydrophobicContact CG2-CG2 4.41Å
222A44.9Very low42.6Very low39 Ų39133.7 Ų133.732%0.32273%0.726SS.*  trans-60.8145.6175.500000111.1G224 T225A222-G224 PolarHBondContact O-N 3.06Å; A222-T225 PolarHBondContact O-N 3.14Å; A222-T225 PolarHBondContact O-OG1 3.44Å
223P37.6Very low42.5Very low141 Ų141130.6 Ų130.692%0.91672%0.716SS**THydrogen-bonded Turntrans-56.6115174.8-19.629.8000110.1
224G44.7Very low42.6Very low87 Ų87128 Ų12890%0.89771%0.711SS**THydrogen-bonded Turntrans112.10.3176.900000117A222A222-G224 PolarHBondContact O-N 3.06Å
225T41.5Very low42.7Very low71 Ų71128.3 Ų128.344%0.43671%0.714SS.*PPolyproline II helixtrans-88.3131176-34.20000111.7T221 A222T221-T225 HydrophobicContact CG2-CG2 4.41Å; A222-T225 PolarHBondContact O-N 3.14Å; A222-T225 PolarHBondContact O-OG1 3.44Å
226R36.7Very low42.8Very low225 Ų225131.6 Ų131.685%0.84972%0.718SS**PPolyproline II helixtrans-72.4137-179.9-144.1-177-167.9-152.33.5110.6
227R39.3Very low42.6Very low230 Ų230134.1 Ų134.187%0.86873%0.726SS**PPolyproline II helixtrans-76.2121.1174.1-66-176.1178.9176.4-0.2109.7
228H38.3Very low42.4Very low158 Ų158137.4 Ų137.473%0.73174%0.741SS**PPolyproline II helixtrans-86.2127170.9-75.5-112.3000109.5Y230H228-Y230 HydrophobicContact CB-CD2 4.37Å; H228-Y230 HydrophobicContact CB-CE2 4.46Å
229I35.6Very low42.5Very low173 Ų173139.1 Ų139.189%0.88775%0.752SS**  trans-85.3112.8165.5-59.3173.8000105.5
230Y41.3Very low42.2Very low200 Ų200142 Ų14278%0.78475%0.751SS**  trans-88.4123173.6-101.4-90000109.3H228H228-Y230 HydrophobicContact CB-CD2 4.37Å; H228-Y230 HydrophobicContact CB-CE2 4.46Å
231D37Very low42.7Very low116 Ų116140.5 Ų140.562%0.6275%0.75SS**  trans-81.7135.7163.1-173.815.5000109S233D231-S233 VanDerWaalsContact CG-OG 3.3Å; D231-S233 PolarHBondContact O-N 3.38Å; D231-S233 PolarHBondContact OD2-OG 3.37Å
232K44.8Very low42.7Very low208 Ų208140.2 Ų140.290%0.90475%0.752SS**THydrogen-bonded Turntrans-81.98.1-169.1-146.6178.9-177.1-175.10112.7
233S45.3Very low42.8Very low82 Ų82144.5 Ų144.557%0.57377%0.774SS**THydrogen-bonded Turntrans-94.5-10.2-169.4630000114.8D231 G235D231-S233 VanDerWaalsContact CG-OG 3.3Å; D231-S233 PolarHBondContact O-N 3.38Å; D231-S233 PolarHBondContact OD2-OG 3.37Å; S233-G235 PolarHBondContact O-N 3.48Å
234L44.3Very low43.1Very low150 Ų150142.2 Ų142.279%0.78576%0.758SS**SBendtrans-89.487.6177.1-66.2173.7000109.8L236L234-L236 PolarHBondContact O-N 3.32Å
235G49.4Very low43Very low82 Ų82141.5 Ų141.585%0.84574%0.739SS**  trans-5295.3179.600000113.4S233S233-G235 PolarHBondContact O-N 3.48Å
236L47.3Very low43Very low157 Ų157147.2 Ų147.282%0.82277%0.766SS**  trans-87.4125.2160.6-80.1156.7000107.6L234 E238L234-L236 PolarHBondContact O-N 3.32Å; L236-E238 PolarHBondContact O-N 3.49Å
237E41.7Very low43.4Very low183 Ų183144.1 Ų144.186%0.85576%0.761SS**  trans-42.3129.6176.8-75.9-102.5129.400112.8C239E237-C239 PolarHBondContact O-N 3.19Å; E237-C239 VanDerWaalsContact O-N 3.12Å
238E45.3Very low43.4Very low196 Ų196140 Ų14092%0.91675%0.753SS**  trans-70.3101.7170.3-90.3-179.2151.900109.5L236 D240L236-E238 PolarHBondContact O-N 3.49Å; E238-D240 PolarHBondContact O-N 3.02Å
239C44.3Very low43.5Very low112 Ų112135.5 Ų135.576%0.75775%0.75SS**  trans-65.2121.8167.7-68.90000109.9E237 T241E237-C239 PolarHBondContact O-N 3.19Å; E237-C239 VanDerWaalsContact O-N 3.12Å; C239-T241 PolarHBondContact O-N 3.23Å
240D39.7Very low43.7Very low131 Ų131132.7 Ų132.770%0.70174%0.741SS**  trans-56.2120.6176.1-173.38.8000111.3E238 S242E238-D240 PolarHBondContact O-N 3.02Å; D240-S242 WeakPolarHBondContact OD1-CB 3.35Å; D240-S242 PolarHBondContact OD1-N 3.34Å; D240-S242 PolarHBondContact OD1-OG 3.33Å; D240-S242 PolarHBondContact OD2-OG 3.07Å
241T50.6Low44Very low118 Ų118130.8 Ų130.872%0.72474%0.744SS**  trans-99.18.6179.3420000112.3C239 T243 V244C239-T241 PolarHBondContact O-N 3.23Å; T241-T243 PolarHBondContact O-N 3.49Å; T241-V244 WeakPolarHBondContact O-CG2 3.27Å
242S47.3Very low44.3Very low85 Ų85134.2 Ų134.259%0.59475%0.754SS**SBendtrans-66.2-17.6-172.366.50000115.2D240D240-S242 WeakPolarHBondContact OD1-CB 3.35Å; D240-S242 PolarHBondContact OD1-N 3.34Å; D240-S242 PolarHBondContact OD1-OG 3.33Å; D240-S242 PolarHBondContact OD2-OG 3.07Å
243T47.5Very low44.5Very low129 Ų129132 Ų13279%0.79175%0.749SS**  trans-124.784.3176.456.90000111.8T241T241-T243 PolarHBondContact O-N 3.49Å
244V43.4Very low44.4Very low94 Ų94132.7 Ų132.757%0.5776%0.759SS**  trans-93.8118.3168.2-176.50000108.3T241 M248T241-V244 WeakPolarHBondContact O-CG2 3.27Å; V244-M248 HydrophobicContact CG1-CB 3.52Å
245S41.6Very low44.5Very low72 Ų72129.4 Ų129.450%0.50375%0.749SS.*  trans-66.5142.7173.545.80000110.3Q247 M248S245-Q247 PolarHBondContact O-N 2.79Å; S245-M248 PolarHBondContact O-N 3.31Å
246L42.9Very low44.4Very low190 Ų190133.2 Ų133.2100%0.99575%0.745SS**THydrogen-bonded Turntrans-54.7-11.8-173.5-127.485.3000115.3
247Q44.7Very low44Very low161 Ų161134.1 Ų134.175%0.75275%0.745SS**THydrogen-bonded Turntrans-90.1-14.7177.9-165.8173.8-13.800113.3S245 G249S245-Q247 PolarHBondContact O-N 2.79Å; Q247-G249 PolarHBondContact O-N 3.41Å
248M39.6Very low44.3Very low142 Ų142129.1 Ų129.170%0.774%0.742SS**SBendtrans-8895.8173.2-81.2-94.9-93.400109.5V244 S245V244-M248 HydrophobicContact CG1-CB 3.52Å; S245-M248 PolarHBondContact O-N 3.31Å
249G39.6Very low44Very low65 Ų65126 Ų12667%0.6773%0.729SS**  trans110.676.7159.300000115.6Q247Q247-G249 PolarHBondContact O-N 3.41Å
250T40Very low44.2Very low114 Ų114125.9 Ų125.970%0.69973%0.725SS**  trans-86.5107.8139.367.80000108K252T250-K252 PolarHBondContact O-N 3.24Å
251N47.6Very low44.2Very low159 Ų159125.3 Ų125.385%0.8573%0.726SS**THydrogen-bonded Turntrans-73.525.9170.341.3-12.3000113.1
252K43.5Very low43.5Very low188 Ų188129.6 Ų129.682%0.81773%0.731SS**THydrogen-bonded Turntrans-97.25.6175.2-71.1-171177.4178.30113.4T250T250-K252 PolarHBondContact O-N 3.24Å
253M48.9Very low43.4Very low162 Ų162129 Ų12980%0.79874%0.738SS**SBendtrans-140.4166.9174.1-58.9-166-170.900110.6S255M253-S255 PolarHBondContact O-N 3.1Å
254A42.2Very low42.8Very low97 Ų97129.9 Ų129.980%0.80274%0.737SS**  trans-44.6118.3-168.400000113.9
255S48.2Very low42.4Very low81 Ų81130.7 Ų130.757%0.56675%0.745SS**  trans-75.2132.6172.1177.20000109.9M253 Q257M253-S255 PolarHBondContact O-N 3.1Å; S255-Q257 VanDerWaalsContact C-N 3.31Å; S255-Q257 PolarHBondContact OG-N 3.19Å
256Q46.2Very low42.2Very low162 Ų162138.7 Ų138.776%0.75776%0.764SS**  trans-86.90.7175.8-132.9178.26500112.8G258 M259Q256-G258 PolarHBondContact O-N 2.64Å; Q256-M259 HydrophobicContact CG-CB 4.25Å; Q256-M259 HydrophobicContact CG-CG 4.31Å; Q256-M259 HydrophobicContact CG-SD 3.85Å; Q256-M259 PolarHBondContact O-N 3.41Å
257Q39.9Very low42Very low176 Ų176138.9 Ų138.982%0.82276%0.759SS**THydrogen-bonded Turntrans-63.4111.4170-84.8-168.7-32.300109.5S255S255-Q257 VanDerWaalsContact C-N 3.31Å; S255-Q257 PolarHBondContact OG-N 3.19Å
258G47.1Very low41.8Very low77 Ų77137.2 Ų137.279%0.79476%0.76SS**THydrogen-bonded Turntrans105.13.317800000115.8Q256Q256-G258 PolarHBondContact O-N 2.64Å
259M39.5Very low41.8Very low131 Ų131137.3 Ų137.365%0.64575%0.754SS**  trans-86.9114.9172.5-67.5-170.272.300111Q256Q256-M259 HydrophobicContact CG-CB 4.25Å; Q256-M259 HydrophobicContact CG-CG 4.31Å; Q256-M259 HydrophobicContact CG-SD 3.85Å; Q256-M259 PolarHBondContact O-N 3.41Å
260T48.4Very low41.9Very low109 Ų109137.8 Ų137.867%0.66974%0.741SS**PPolyproline II helixtrans-80.1132.5170.953.10000110.8Y262T260-Y262 PolarHBondContact O-N 3.16Å
261T39.2Very low42.2Very low119 Ų119138.1 Ų138.173%0.7374%0.739SS**PPolyproline II helixtrans-62.1122.7175.9-25.80000110.7G263T261-G263 PolarHBondContact O-N 3.32Å
262Y37.1Very low42.2Very low208 Ų208138.2 Ų138.282%0.81673%0.731SS**THydrogen-bonded Turntrans-66.3121.9169.9-96.1-92.4000109.3T260T260-Y262 PolarHBondContact O-N 3.16Å
263G43.9Very low42.4Very low73 Ų73137.8 Ų137.875%0.75373%0.726SS**THydrogen-bonded Turntrans117.115.7170.800000117.5T261T261-G263 PolarHBondContact O-N 3.32Å
264L34.8Very low42.3Very low147 Ų147132.7 Ų132.777%0.7771%0.706SS**  trans-61.3129.6166.8-86.8164.9000109.9R266L264-R266 PolarHBondContact O-N 3.28Å
265P35.9Very low42.7Very low112 Ų112133.4 Ų133.473%0.72771%0.705SS**  trans-61.2139.8177.923.9-31000109.8Q267P265-Q267 PolarHBondContact O-N 3.35Å
266R37.7Very low42.7Very low239 Ų239135 Ų13590%0.90271%0.707SS**  trans-61.1110.9171.3-66.8-177.4-178.8-133.71.5108.1L264 V268L264-R266 PolarHBondContact O-N 3.28Å; R266-V268 PolarHBondContact O-N 3.27Å; R266-V268 VanDerWaalsContact O-N 3.14Å
267Q38.2Very low42.8Very low194 Ų194132.7 Ų132.791%0.90771%0.706SS**  trans-70.4105.7160.8-91.7177.4-20.700107.6P265 Y269P265-Q267 PolarHBondContact O-N 3.35Å; Q267-Y269 PolarHBondContact O-N 3.46Å
268V40.4Very low43.1Very low127 Ų127131.1 Ų131.177%0.7770%0.703SS**  trans-79.9105.4165179.40000105.9R266 D270R266-V268 PolarHBondContact O-N 3.27Å; R266-V268 VanDerWaalsContact O-N 3.14Å; V268-D270 PolarHBondContact O-N 3.06Å
269Y39.6Very low42.7Very low143 Ų143134.8 Ų134.856%0.56170%0.7SS**  trans-77.3108.3168-170.6-89.8000107.8Q267 N271 C274Q267-Y269 PolarHBondContact O-N 3.46Å; Y269-N271 HydrophobicContact CE1-CB 4.36Å; Y269-C274 HydrophobicContact CD2-CB 4.21Å; Y269-C274 HydrophobicContact CE2-CB 3.52Å
270D42.3Very low42.8Very low75 Ų75138.5 Ų138.540%0.40171%0.712SS.*  trans-104.5117.8168.5-175.7-10.4000107.6V268 K272 Y273V268-D270 PolarHBondContact O-N 3.06Å; D270-K272 PolarHBondContact O-N 3.5Å; D270-K272 WeakPolarHBondContact OD1-CB 3.34Å; D270-K272 PolarHBondContact OD1-N 3.34Å; D270-Y273 HydrophobicContact CB-CD2 4Å; D270-Y273 PolarHBondContact O-N 3.44Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.32Å; D270-Y273 WeakPolarHBondContact OD2-CE2 2.98Å
271N45.1Very low42.4Very low122 Ų122140.7 Ų140.765%0.65272%0.719SS**THydrogen-bonded Turntrans-63-8.5-178.1-160.143.5000112.9Y269Y269-N271 HydrophobicContact CE1-CB 4.36Å
272K48.9Very low42.6Very low161 Ų161141.2 Ų141.270%0.772%0.717SS**THydrogen-bonded Turntrans-80.5-16.5174.4-151.7179.3-175.3-176.10113.7D270D270-K272 PolarHBondContact O-N 3.5Å; D270-K272 WeakPolarHBondContact OD1-CB 3.34Å; D270-K272 PolarHBondContact OD1-N 3.34Å
273Y46.3Very low42.5Very low178 Ų178139 Ų13970%0.69872%0.719SS**THydrogen-bonded Turntrans-130.45.8-171.8-55.4-71.5000115.2D270D270-Y273 HydrophobicContact CB-CD2 4Å; D270-Y273 PolarHBondContact O-N 3.44Å; D270-Y273 WeakPolarHBondContact OD2-CD2 3.32Å; D270-Y273 WeakPolarHBondContact OD2-CE2 2.98Å
274C47.2Very low42.1Very low56 Ų56139.1 Ų139.138%0.37872%0.72SS.*SBendtrans-121.1120.4175.8-62.80000110.2Y269Y269-C274 HydrophobicContact CD2-CB 4.21Å; Y269-C274 HydrophobicContact CE2-CB 3.52Å
275S50.3Low42.1Very low112 Ų112141.2 Ų141.278%0.78373%0.726SS**  trans-67143.2179.3-48.60000111.6
276N49.3Very low42.1Very low114 Ų114145.7 Ų145.761%0.6173%0.729SS**  trans-64.5144.8-178.1-118.9-9.7000111.4D278N276-D278 PolarHBondContact O-N 3.44Å; N276-D278 VanDerWaalsContact O-N 3.11Å
277P47Very low42Very low113 Ų113139.5 Ų139.573%0.73473%0.729SS**THydrogen-bonded Turntrans-69.6-6.6-173.9-16.430.4000115.9
278D46.8Very low41.8Very low144 Ų144137.2 Ų137.277%0.7772%0.718SS**THydrogen-bonded Turntrans-99.94.6-172.8-69.2-34000114.6N276N276-D278 PolarHBondContact O-N 3.44Å; N276-D278 VanDerWaalsContact O-N 3.11Å
279E39.3Very low41.7Very low153 Ų153140.5 Ų140.572%0.71572%0.723SS**  trans-95.999.1171.7-76.3-171.3168.300111.2I281E279-I281 PolarHBondContact O-N 3.45Å
280F41.4Very low41.4Very low209 Ų209141.1 Ų141.192%0.91774%0.736SS**  trans-62.7100.1164.9-82.4-91.7000110N282F280-N282 PolarHBondContact O-N 3.41Å
281I39.7Very low41Very low156 Ų156139.6 Ų139.680%0.874%0.738SS**  trans-86.191.3162.1-58-178.9000107.6E279E279-I281 PolarHBondContact O-N 3.45Å
282N44.4Very low40.5Very low130 Ų130140.5 Ų140.570%0.69575%0.747SS**  trans-80.9126.2155.9-171.6-8.6000107.3F280F280-N282 PolarHBondContact O-N 3.41Å
283N33.3Very low39.7Very low160 Ų160141.2 Ų141.286%0.85676%0.755SS**  trans178.4110143.3-88.8-21.1000111
284G36.7Very low39.2Very low76 Ų76142 Ų14278%0.78476%0.759SS**  trans-178.96.8170.700000117.4
285E34.7Very low38.7Very low192 Ų192149 Ų14990%0.89778%0.779SS**SBendtrans-103114.2167.1-76-165150.200110.6
286R36.6Very low38.1Very low205 Ų205154.4 Ų154.477%0.77480%0.798SS**  trans49.285138.8-140.3-179.1179.3140.93.6116.2E288R286-E288 VanDerWaalsContact C-N 3.3Å; R286-E288 HydrophobicContact CG-CG 4.15Å; R286-E288 IonicContact CZ-OE1 3.65Å; R286-E288 IonicContact NE-OE1 3.56Å; R286-E288 PolarHBondContact NE-OE1 3.45Å; R286-E288 IonicContact NH2-OE1 2.67Å; R286-E288 PolarHBondContact O-N 3.02Å
287A35.1Very low37.6Very low110 Ų110156.4 Ų156.491%0.90981%0.808SS**  trans-71.391.7155.200000108.5
288E34Very low37.1Very low145 Ų145158.7 Ų158.768%0.67881%0.812SS**  trans-71128.2160.9-79.3-179.4174.700109.2R286 D290R286-E288 VanDerWaalsContact C-N 3.3Å; R286-E288 HydrophobicContact CG-CG 4.15Å; R286-E288 IonicContact CZ-OE1 3.65Å; R286-E288 IonicContact NE-OE1 3.56Å; R286-E288 PolarHBondContact NE-OE1 3.45Å; R286-E288 IonicContact NH2-OE1 2.67Å; R286-E288 PolarHBondContact O-N 3.02Å; E288-D290 PolarHBondContact O-N 3.18Å
289F37.8Very low36.5Very low197 Ų197159.5 Ų159.586%0.86481%0.814SS**  trans-57.6118.5169.1176.7-90.3000109.7
290D33.1Very low36.4Very low156 Ų156159.9 Ų159.983%0.83482%0.82SS**  trans-150.7125.5142.9-148.1-3000111.6E288E288-D290 PolarHBondContact O-N 3.18Å
291G33.7Very low36Very low43 Ų43156.8 Ų156.844%0.44381%0.814SS.*  trans-114.1124.8-179.200000109.3
292T35.4Very low35.8Very low140 Ų140156.9 Ų156.986%0.85982%0.815SS**  trans64.2112.1155.3610000118.3
293M31.1Very low35.2Very low176 Ų176158.8 Ų158.887%0.86782%0.823SS**  trans-153.2121.3138.5-91.2-62.2-147.400110.6
294Y37.3Very low35.3Very low196 Ų196158.7 Ų158.777%0.76982%0.821SS**  trans3.7135.1152.9-73.7-100.5000120.6
295Y35.1Very low35.2Very low203 Ų203165.6 Ų165.680%0.79682%0.824SS**  178.414392.8-106-83.7000111.7
296D38.9Very low35.3Very low224 Ų224163.2 Ų163.2100%1.19882%0.817SS**  trans58.70165.3-62.9-22.3000121.5

Retrieved 296 of 296 residues in 828.7 ms (Link to these results)

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