A0A3Q0KHD4_SCHMA Loading...

Formin binding protein and related proteins

AlphaFold DB , UniProt , Accession A0A3Q0KHD4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 580 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
1M44.7Very low87.1Confident236 Ų236103.6 Ų103.6100%1.16351%0.514SS*.  0120.50-93.8-170.1-84.100105.2E3M1-E3 PolarHBondContact O-N 2.9Å
2D76.4Confident87.7Confident163 Ų163102.8 Ų102.887%0.87251%0.513SS*.PPolyproline II helixtrans-67130.2176.2-57-40.2000108.1
3E86.4Confident88.3Confident149 Ų149100.1 Ų100.170%0.69650%0.498SS*.PPolyproline II helixtrans-75.5131.2-178.1-65.4-170.9-168.300110.1M1 R221M1-E3 PolarHBondContact O-N 2.9Å; E3-R221 IonicContact OE2-CZ 2.72Å; E3-R221 VanDerWaalsContact OE2-CZ 3.29Å; E3-R221 IonicContact OE2-NH1 2.95Å; E3-R221 PolarHBondContact OE2-NH1 3.37Å; E3-R221 IonicContact OE2-NH2 3.95Å; E3-R221 PolarHBondContact OE2-NH2 2.66Å
4L91.7Very high88.8Confident124 Ų12493.1 Ų93.165%0.64946%0.463SS*.PPolyproline II helixtrans-86.1146.3174.4-62.4169.2000110.2E9L4-E9 HydrophobicContact CB-CG 4.16Å
5S92.1Very high89.3Confident39 Ų3994.9 Ų94.927%0.27347%0.47SS..PPolyproline II helixtrans-91.5138.2176.2139.40000110.9G7 V8 E9 D214S5-G7 PolarHBondContact O-N 3.34Å; S5-G7 PolarHBondContact OG-N 3.44Å; S5-V8 PolarHBondContact O-N 3.42Å; S5-V8 PolarHBondContact OG-N 3.06Å; S5-E9 WeakPolarHBondContact O-CG 3.45Å; S5-E9 PolarHBondContact O-N 3.36Å; S5-D214 PolarHBondContact OG-OD1 3.39Å
6W96Very high89.8Confident57 Ų5795.1 Ų95.122%0.21647%0.473CS..Hα-helixtrans-63.4-34.9173.9-68.27.1000111.2V8 E9 L10 L17 V213 E217 S220W6-V8 PolarHBondContact O-N 3.5Å; W6-E9 PolarHBondContact O-N 3.18Å; W6-L10 HydrophobicContact CB-CD1 4.15Å; W6-L10 HydrophobicContact CD2-CD1 4.44Å; W6-L10 HydrophobicContact CG-CD1 3.99Å; W6-L10 WeakPolarHBondContact O-CA 3.45Å; W6-L10 WeakPolarHBondContact O-CB 3.08Å; W6-L10 PolarHBondContact O-N 3.34Å; W6-L17 HydrophobicContact CD2-CD2 4.35Å; W6-L17 HydrophobicContact CE3-CD2 3.84Å; W6-L17 HydrophobicContact CZ3-CD2 3.99Å; W6-V213 HydrophobicContact CB-CG1 3.49Å; W6-V213 VanDerWaalsContact CB-CG1 3.49Å; W6-V213 WeakPolarHBondContact O-CG1 3.33Å; W6-E217 HydrophobicContact CB-CB 4.04Å; W6-E217 HydrophobicContact CB-CG 4.34Å; W6-E217 HydrophobicContact CD2-CB 3.67Å; W6-E217 HydrophobicContact CD2-CG 3.65Å; W6-E217 HydrophobicContact CE3-CB 3.58Å; W6-E217 HydrophobicContact CE3-CG 4.01Å; W6-E217 HydrophobicContact CG-CB 3.88Å; W6-E217 HydrophobicContact CG-CG 3.79Å; W6-E217 HydrophobicContact CZ3-CB 4.28Å; W6-E217 PolarHBondContact N-OE2 3.34Å; W6-S220 WeakPolarHBondContact CH2-OG 3.49Å
7G93.9Very high90.2Very high0 Ų090.1 Ų90.10%045%0.449CS..Hα-helixtrans-56.7-38.4-178.900000113.6S5 V210 D214S5-G7 PolarHBondContact O-N 3.34Å; S5-G7 PolarHBondContact OG-N 3.44Å; G7-V210 WeakPolarHBondContact CA-O 3.47Å; G7-V210 WeakPolarHBondContact O-CG2 3.22Å; G7-D214 WeakPolarHBondContact CA-OD1 3.4Å; G7-D214 PolarHBondContact N-OD1 3.15Å
8V93.4Very high90.6Very high90 Ų9085.3 Ų85.355%0.54543%0.425SS..Hα-helixtrans-84.7-44.6-180-178.50000111.5S5 W6 V210S5-V8 PolarHBondContact O-N 3.42Å; S5-V8 PolarHBondContact OG-N 3.06Å; W6-V8 PolarHBondContact O-N 3.5Å; V8-V210 HydrophobicContact CG2-CG1 4.36Å
9E95.3Very high91Very high108 Ų10887.9 Ų87.951%0.50543%0.433SS..Hα-helixtrans-83.6-22.7-170-60.1-59.8147.800113.9L4 S5 W6L4-E9 HydrophobicContact CB-CG 4.16Å; S5-E9 WeakPolarHBondContact O-CG 3.45Å; S5-E9 PolarHBondContact O-N 3.36Å; W6-E9 PolarHBondContact O-N 3.18Å
10L95.4Very high91.3Very high55 Ų5587.4 Ų87.429%0.28843%0.429SS..  trans-126.823.9-167.7-57.3177.4000113.9W6 D12 Q13 L17W6-L10 HydrophobicContact CB-CD1 4.15Å; W6-L10 HydrophobicContact CD2-CD1 4.44Å; W6-L10 HydrophobicContact CG-CD1 3.99Å; W6-L10 WeakPolarHBondContact O-CA 3.45Å; W6-L10 WeakPolarHBondContact O-CB 3.08Å; W6-L10 PolarHBondContact O-N 3.34Å; L10-D12 PolarHBondContact O-N 3.38Å; L10-D12 VanDerWaalsContact O-N 3.15Å; L10-Q13 HydrophobicContact CB-CB 4.33Å; L10-Q13 HydrophobicContact CD2-CG 4.39Å; L10-Q13 PolarHBondContact O-N 3.13Å; L10-L17 HydrophobicContact CB-CD1 4.12Å; L10-L17 HydrophobicContact CD1-CD2 3.93Å
11W93.2Very high91.6Very high119 Ų11983.4 Ų83.445%0.45141%0.41SS..THydrogen-bonded Turntrans-58.8-27.2-176.870.2-90.2000114Y205 I209W11-Y205 AromaticContact CE3-CD1 3.75Å; W11-Y205 HydrophobicContact CE3-CD1 3.75Å; W11-Y205 HydrophobicContact CE3-CE1 4.23Å; W11-Y205 AromaticContact CZ3-CD1 3.53Å; W11-Y205 HydrophobicContact CZ3-CD1 3.53Å; W11-Y205 AromaticContact CZ3-CE1 3.72Å; W11-Y205 HydrophobicContact CZ3-CE1 3.72Å; W11-I209 HydrophobicContact CB-CG2 3.8Å; W11-I209 WeakPolarHBondContact O-CG2 3.47Å
12D93.7Very high94.1Very high94 Ų9476 Ų7650%0.50337%0.374SS..THydrogen-bonded Turntrans-94.1-3.7179.367.8-43.3000113.5L10L10-D12 PolarHBondContact O-N 3.38Å; L10-D12 VanDerWaalsContact O-N 3.15Å
13Q95.8Very high95.1Very high67 Ų6772.6 Ų72.631%0.31336%0.356SS..  trans-109.418.6-170.7-62-59.1-46.600114.2L10 E15 N16 L17L10-Q13 HydrophobicContact CB-CB 4.33Å; L10-Q13 HydrophobicContact CD2-CG 4.39Å; L10-Q13 PolarHBondContact O-N 3.13Å; Q13-E15 VanDerWaalsContact C-N 3.31Å; Q13-E15 PolarHBondContact O-N 3.44Å; Q13-N16 WeakPolarHBondContact O-CA 3.49Å; Q13-N16 WeakPolarHBondContact O-CB 3.31Å; Q13-N16 PolarHBondContact O-N 3.34Å; Q13-N16 PolarHBondContact OE1-ND2 2.89Å; Q13-L17 PolarHBondContact O-N 3.37Å
14V95.4Very high95.7Very high2 Ų268.6 Ų68.61%0.01234%0.337CS..Hα-helixtrans-57.5-37.6-172-178.50000113.8N16 L17 F18 W120 I209 F212 V213V14-N16 VanDerWaalsContact C-N 3.34Å; V14-N16 PolarHBondContact O-N 2.82Å; V14-L17 WeakPolarHBondContact O-CB 3.28Å; V14-L17 PolarHBondContact O-N 3.04Å; V14-F18 HydrophobicContact CG1-CD2 3.94Å; V14-F18 HydrophobicContact CG1-CE2 3.64Å; V14-F18 VanDerWaalsContact O-CD2 3.26Å; V14-F18 WeakPolarHBondContact O-CD2 3.31Å; V14-F18 PolarHBondContact O-N 2.86Å; V14-W120 HydrophobicContact CB-CD2 4.36Å; V14-W120 HydrophobicContact CB-CE3 4.47Å; V14-W120 HydrophobicContact CB-CH2 3.79Å; V14-W120 HydrophobicContact CB-CZ2 3.61Å; V14-W120 HydrophobicContact CB-CZ3 4.21Å; V14-W120 HydrophobicContact CG1-CD2 3.64Å; V14-W120 HydrophobicContact CG1-CE3 3.89Å; V14-W120 HydrophobicContact CG1-CG 4.15Å; V14-W120 HydrophobicContact CG1-CH2 4.11Å; V14-W120 HydrophobicContact CG1-CZ2 3.83Å; V14-W120 HydrophobicContact CG1-CZ3 4.12Å; V14-W120 HydrophobicContact CG2-CE3 4.39Å; V14-W120 HydrophobicContact CG2-CH2 3.59Å; V14-W120 HydrophobicContact CG2-CZ2 3.98Å; V14-W120 HydrophobicContact CG2-CZ3 3.81Å; V14-I209 HydrophobicContact CG2-CG2 4.46Å; V14-F212 HydrophobicContact CG1-CD1 4.37Å; V14-F212 HydrophobicContact CG1-CE1 3.72Å; V14-V213 HydrophobicContact CG2-CG2 3.79Å
15E95.6Very high96Very high121 Ų12162.9 Ų62.957%0.56531%0.308SS*.Hα-helixtrans-65-38176.4-64.5-58.9148.200112.3Q13 F18 K19 W120Q13-E15 VanDerWaalsContact C-N 3.31Å; Q13-E15 PolarHBondContact O-N 3.44Å; E15-F18 PolarHBondContact O-N 3Å; E15-K19 PolarHBondContact O-N 3.28Å; E15-W120 PolarHBondContact OE1-NE1 3.27Å
16N97.4Very high96.2Very high98 Ų9862.4 Ų62.452%0.52431%0.309SS..Hα-helixtrans-70.8-36.1174.9-72.6-36.3000111.4Q13 V14 F18 K19 H20Q13-N16 WeakPolarHBondContact O-CA 3.49Å; Q13-N16 WeakPolarHBondContact O-CB 3.31Å; Q13-N16 PolarHBondContact O-N 3.34Å; Q13-N16 PolarHBondContact OE1-ND2 2.89Å; V14-N16 VanDerWaalsContact C-N 3.34Å; V14-N16 PolarHBondContact O-N 2.82Å; N16-F18 VanDerWaalsContact C-N 3.33Å; N16-F18 PolarHBondContact O-N 3.43Å; N16-K19 PolarHBondContact O-N 3.08Å; N16-H20 WeakPolarHBondContact O-CB 3.4Å; N16-H20 PolarHBondContact O-N 2.9Å
17L97.3Very high96.3Very high10 Ų1062.8 Ų62.85%0.05232%0.317CS..Hα-helixtrans-61.5-40.3171.6-75.3173.6000111.5W6 L10 Q13 V14 K19 H20 E21 V213 M216W6-L17 HydrophobicContact CD2-CD2 4.35Å; W6-L17 HydrophobicContact CE3-CD2 3.84Å; W6-L17 HydrophobicContact CZ3-CD2 3.99Å; L10-L17 HydrophobicContact CB-CD1 4.12Å; L10-L17 HydrophobicContact CD1-CD2 3.93Å; Q13-L17 PolarHBondContact O-N 3.37Å; V14-L17 WeakPolarHBondContact O-CB 3.28Å; V14-L17 PolarHBondContact O-N 3.04Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.22Å; L17-H20 WeakPolarHBondContact O-CB 3.45Å; L17-H20 PolarHBondContact O-N 3.15Å; L17-E21 WeakPolarHBondContact O-CB 3.36Å; L17-E21 PolarHBondContact O-N 3.06Å; L17-V213 HydrophobicContact CD1-CG1 3.71Å; L17-V213 HydrophobicContact CD1-CG2 4.24Å; L17-M216 HydrophobicContact CB-CE 3.56Å; L17-M216 HydrophobicContact CB-SD 3.94Å; L17-M216 HydrophobicContact CD1-SD 4.49Å; L17-M216 WeakPolarHBondContact O-CE 3.37Å
18F97.6Very high96.5Very high4 Ų463 Ų632%0.01832%0.319CS..Hα-helixtrans-63-41.5175.4-84.3-61.6000112.2V14 E15 N16 E21 I22 Q116 R117 W120 F212 M216V14-F18 HydrophobicContact CG1-CD2 3.94Å; V14-F18 HydrophobicContact CG1-CE2 3.64Å; V14-F18 VanDerWaalsContact O-CD2 3.26Å; V14-F18 WeakPolarHBondContact O-CD2 3.31Å; V14-F18 PolarHBondContact O-N 2.86Å; E15-F18 PolarHBondContact O-N 3Å; N16-F18 VanDerWaalsContact C-N 3.33Å; N16-F18 PolarHBondContact O-N 3.43Å; F18-E21 PolarHBondContact O-N 3.19Å; F18-I22 WeakPolarHBondContact O-CD1 3.46Å; F18-I22 VanDerWaalsContact O-CG1 3.24Å; F18-I22 WeakPolarHBondContact O-CG1 3.35Å; F18-I22 PolarHBondContact O-N 3.04Å; F18-Q116 HydrophobicContact CE1-CB 4.18Å; F18-R117 HydrophobicContact CE1-CB 4.01Å; F18-R117 HydrophobicContact CZ-CB 4.1Å; F18-W120 HydrophobicContact CE2-CB 3.96Å; F18-W120 AromaticContact CE2-CD1 3.65Å; F18-W120 AromaticContact CE2-CG 3.83Å; F18-W120 HydrophobicContact CE2-CG 3.83Å; F18-W120 HydrophobicContact CZ-CB 3.99Å; F18-W120 HydrophobicContact CZ-CG 4.36Å; F18-F212 HydrophobicContact CE2-CZ 4.39Å; F18-F212 HydrophobicContact CZ-CE1 4.35Å; F18-F212 AromaticContact CZ-CZ 3.81Å; F18-F212 HydrophobicContact CZ-CZ 3.81Å; F18-M216 HydrophobicContact CD1-CE 4.06Å; F18-M216 HydrophobicContact CE1-CE 4.46Å; F18-M216 HydrophobicContact CG-CE 4.32Å
19K97.6Very high96.7Very high135 Ų13561 Ų6159%0.58730%0.303SS*.Hα-helixtrans-61.6-47.5174.8-173.6-178.3176.7-1750110.9E15 N16 L17 E21 I22 D23E15-K19 PolarHBondContact O-N 3.28Å; N16-K19 PolarHBondContact O-N 3.08Å; L17-K19 VanDerWaalsContact C-N 3.34Å; L17-K19 PolarHBondContact O-N 3.22Å; K19-E21 PolarHBondContact O-N 2.99Å; K19-I22 PolarHBondContact O-N 2.83Å; K19-D23 VanDerWaalsContact O-CG 3.31Å; K19-D23 PolarHBondContact O-N 2.79Å
20H97.6Very high96.9Very high77 Ų7759.5 Ų59.536%0.35630%0.304SS..Hα-helixtrans-53.1-53.8174.8-177.2145.7000110.5N16 L17 I22 D23 Q24N16-H20 WeakPolarHBondContact O-CB 3.4Å; N16-H20 PolarHBondContact O-N 2.9Å; L17-H20 WeakPolarHBondContact O-CB 3.45Å; L17-H20 PolarHBondContact O-N 3.15Å; H20-I22 VanDerWaalsContact C-N 3.32Å; H20-I22 PolarHBondContact O-N 3.24Å; H20-D23 PolarHBondContact O-N 3.47Å; H20-D23 VanDerWaalsContact O-N 3.14Å; H20-Q24 WeakPolarHBondContact CD2-CG 3.32Å; H20-Q24 WeakPolarHBondContact NE2-CG 3.44Å; H20-Q24 WeakPolarHBondContact O-CG 3.45Å; H20-Q24 PolarHBondContact O-N 3.28Å
21E97.1Very high97Very high3 Ų361 Ų611%0.01431%0.307CS..Hα-helixtrans-63.7-36.6-176.4-77.6-62.7124.100112.8L17 F18 K19 Q24 V25 L113 M216 S220 R223L17-E21 WeakPolarHBondContact O-CB 3.36Å; L17-E21 PolarHBondContact O-N 3.06Å; F18-E21 PolarHBondContact O-N 3.19Å; K19-E21 PolarHBondContact O-N 2.99Å; E21-Q24 PolarHBondContact O-N 2.92Å; E21-V25 WeakPolarHBondContact O-CG2 3.45Å; E21-V25 PolarHBondContact O-N 2.95Å; E21-L113 HydrophobicContact CB-CD1 4.33Å; E21-L113 HydrophobicContact CB-CD2 3.59Å; E21-L113 HydrophobicContact CG-CD2 4.25Å; E21-M216 HydrophobicContact CB-CE 3.92Å; E21-M216 HydrophobicContact CG-CE 3.32Å; E21-M216 HydrophobicContact CG-CG 4.23Å; E21-S220 WeakPolarHBondContact OE1-CB 3.34Å; E21-S220 PolarHBondContact OE1-OG 3.25Å; E21-R223 VanDerWaalsContact CD-NH2 3.29Å; E21-R223 PolarHBondContact O-NH1 3.47Å; E21-R223 IonicContact OE1-CZ 3.35Å; E21-R223 IonicContact OE1-NH1 2.74Å; E21-R223 IonicContact OE1-NH2 2.6Å; E21-R223 PolarHBondContact OE1-NH2 3.03Å; E21-R223 IonicContact OE2-CZ 3.49Å; E21-R223 IonicContact OE2-NH1 3.03Å; E21-R223 PolarHBondContact OE2-NH1 3.3Å; E21-R223 IonicContact OE2-NH2 2.91Å; E21-R223 PolarHBondContact OE2-NH2 3.43Å
22I97.5Very high97.2Very high81 Ų8157.4 Ų57.442%0.41529%0.294SS..Hα-helixtrans-60.9-46.5172.9-72165.3000110.8F18 K19 H20 Q24 V25 G26 L113F18-I22 WeakPolarHBondContact O-CD1 3.46Å; F18-I22 VanDerWaalsContact O-CG1 3.24Å; F18-I22 WeakPolarHBondContact O-CG1 3.35Å; F18-I22 PolarHBondContact O-N 3.04Å; K19-I22 PolarHBondContact O-N 2.83Å; H20-I22 VanDerWaalsContact C-N 3.32Å; H20-I22 PolarHBondContact O-N 3.24Å; I22-Q24 VanDerWaalsContact C-N 3.32Å; I22-Q24 PolarHBondContact O-N 3.09Å; I22-V25 PolarHBondContact O-N 2.84Å; I22-G26 PolarHBondContact O-N 3.39Å; I22-L113 HydrophobicContact CG1-CD1 4.47Å
23D98Very high97.5Very high91 Ų9157.9 Ų57.949%0.48729%0.292SS..Hα-helixtrans-61.9-42.3179.5-67.4-20.3000110.7K19 H20 G26 V27K19-D23 VanDerWaalsContact O-CG 3.31Å; K19-D23 PolarHBondContact O-N 2.79Å; H20-D23 PolarHBondContact O-N 3.47Å; H20-D23 VanDerWaalsContact O-N 3.14Å; D23-G26 CarbonylContact O-C 3.51Å; D23-G26 WeakPolarHBondContact O-CA 3.46Å; D23-G26 PolarHBondContact O-N 2.95Å; D23-V27 PolarHBondContact O-N 3.39Å
24Q97.9Very high97.6Very high65 Ų6559.2 Ų59.230%0.30430%0.301SS..Hα-helixtrans-68-37.6178.1-65.7-59.7-40.200113.2H20 E21 I22 G26 V27 T28 R223H20-Q24 WeakPolarHBondContact CD2-CG 3.32Å; H20-Q24 WeakPolarHBondContact NE2-CG 3.44Å; H20-Q24 WeakPolarHBondContact O-CG 3.45Å; H20-Q24 PolarHBondContact O-N 3.28Å; E21-Q24 PolarHBondContact O-N 2.92Å; I22-Q24 VanDerWaalsContact C-N 3.32Å; I22-Q24 PolarHBondContact O-N 3.09Å; Q24-G26 PolarHBondContact O-N 2.94Å; Q24-V27 WeakPolarHBondContact O-CB 3.36Å; Q24-V27 PolarHBondContact O-N 3.45Å; Q24-V27 VanDerWaalsContact O-N 3.12Å; Q24-T28 PolarHBondContact O-N 3.44Å; Q24-T28 PolarHBondContact O-OG1 3.35Å; Q24-R223 VanDerWaalsContact CB-NH1 3.28Å; Q24-R223 VanDerWaalsContact CB-NH2 3.35Å
25V97.4Very high97.7Very high5 Ų560.4 Ų60.43%0.0331%0.306CS..Hα-helixtrans-61.8-35.4169.4172.90000110.7E21 I22 V27 T28 E29 E109 K110 L113E21-V25 WeakPolarHBondContact O-CG2 3.45Å; E21-V25 PolarHBondContact O-N 2.95Å; I22-V25 PolarHBondContact O-N 2.84Å; V25-V27 VanDerWaalsContact C-N 3.32Å; V25-V27 PolarHBondContact O-N 3.27Å; V25-T28 PolarHBondContact O-N 3.06Å; V25-E29 PolarHBondContact O-N 2.88Å; V25-E109 HydrophobicContact CG1-CB 4.32Å; V25-E109 HydrophobicContact CG2-CB 3.81Å; V25-K110 HydrophobicContact CG1-CG 3.91Å; V25-L113 HydrophobicContact CB-CD1 4.39Å; V25-L113 HydrophobicContact CG2-CD1 3.57Å
26G98Very high97.8Very high29 Ų2955.5 Ų55.530%0.29929%0.285SS..Hα-helixtrans-61.5-36171.800000113.6I22 D23 Q24 E29 S30I22-G26 PolarHBondContact O-N 3.39Å; D23-G26 CarbonylContact O-C 3.51Å; D23-G26 WeakPolarHBondContact O-CA 3.46Å; D23-G26 PolarHBondContact O-N 2.95Å; Q24-G26 PolarHBondContact O-N 2.94Å; G26-E29 PolarHBondContact O-N 3.13Å; G26-S30 PolarHBondContact O-N 3.09Å; G26-S30 PolarHBondContact O-OG 2.9Å
27V97.8Very high97.9Very high65 Ų6555.5 Ų55.539%0.39429%0.285SS..Hα-helixtrans-66.2-46.9172.7178.70000110.9D23 Q24 V25 E29 S30 Y31D23-V27 PolarHBondContact O-N 3.39Å; Q24-V27 WeakPolarHBondContact O-CB 3.36Å; Q24-V27 PolarHBondContact O-N 3.45Å; Q24-V27 VanDerWaalsContact O-N 3.12Å; V25-V27 VanDerWaalsContact C-N 3.32Å; V25-V27 PolarHBondContact O-N 3.27Å; V27-E29 VanDerWaalsContact C-N 3.28Å; V27-E29 PolarHBondContact O-N 2.8Å; V27-S30 WeakPolarHBondContact O-CB 3.44Å; V27-S30 PolarHBondContact O-N 2.95Å; V27-Y31 HydrophobicContact CG1-CD2 4.19Å; V27-Y31 HydrophobicContact CG1-CE2 3.77Å; V27-Y31 WeakPolarHBondContact O-CD2 3.47Å; V27-Y31 PolarHBondContact O-N 3.1Å
28T97.6Very high97.9Very high5 Ų558 Ų583%0.03130%0.301CS..Hα-helixtrans-58.5-40.3174.6-51.70000111.7Q24 V25 S30 Y31 F32 L102 Q105 V106Q24-T28 PolarHBondContact O-N 3.44Å; Q24-T28 PolarHBondContact O-OG1 3.35Å; V25-T28 PolarHBondContact O-N 3.06Å; T28-S30 VanDerWaalsContact C-N 3.3Å; T28-S30 PolarHBondContact O-N 3.49Å; T28-Y31 PolarHBondContact O-N 3.4Å; T28-F32 PolarHBondContact O-N 2.93Å; T28-L102 HydrophobicContact CG2-CD2 4.39Å; T28-Q105 HydrophobicContact CG2-CG 4.4Å; T28-V106 HydrophobicContact CG2-CG2 3.73Å
29E98.1Very high97.9Very high48 Ų4858.8 Ų58.822%0.22430%0.304CS..Hα-helixtrans-63.6-36175-174.1176.8160.700112.4V25 G26 V27 F32 K33 V106 K110V25-E29 PolarHBondContact O-N 2.88Å; G26-E29 PolarHBondContact O-N 3.13Å; V27-E29 VanDerWaalsContact C-N 3.28Å; V27-E29 PolarHBondContact O-N 2.8Å; E29-F32 WeakPolarHBondContact O-CB 3.46Å; E29-F32 PolarHBondContact O-N 2.91Å; E29-K33 WeakPolarHBondContact O-CG 3.34Å; E29-K33 PolarHBondContact O-N 3.17Å; E29-K33 WeakPolarHBondContact OE1-CE 3.48Å; E29-K33 IonicContact OE1-NZ 3.67Å; E29-K33 PolarHBondContact OE1-NZ 3.39Å; E29-V106 HydrophobicContact CB-CG1 4.08Å; E29-V106 HydrophobicContact CB-CG2 4.26Å; E29-V106 HydrophobicContact CG-CG1 4.29Å; E29-K110 WeakPolarHBondContact OE2-CE 3.49Å; E29-K110 IonicContact OE2-NZ 4Å; E29-K110 PolarHBondContact OE2-NZ 3.41Å
30S98.3Very high98Very high75 Ų7557.6 Ų57.652%0.52430%0.299SS..Hα-helixtrans-65.8-41.4175.9-58.80000111.5G26 V27 T28 K33 L34G26-S30 PolarHBondContact O-N 3.09Å; G26-S30 PolarHBondContact O-OG 2.9Å; V27-S30 WeakPolarHBondContact O-CB 3.44Å; V27-S30 PolarHBondContact O-N 2.95Å; T28-S30 VanDerWaalsContact C-N 3.3Å; T28-S30 PolarHBondContact O-N 3.49Å; S30-K33 PolarHBondContact O-N 3.38Å; S30-L34 WeakPolarHBondContact O-CB 3.45Å; S30-L34 PolarHBondContact O-N 3.35Å
31Y98.1Very high98Very high88 Ų8860.1 Ų60.135%0.34532%0.315SS..Hα-helixtrans-60.4-45.3171.6-75.1-58.3000112.1V27 T28 K33 L34 F35 T227 L231V27-Y31 HydrophobicContact CG1-CD2 4.19Å; V27-Y31 HydrophobicContact CG1-CE2 3.77Å; V27-Y31 WeakPolarHBondContact O-CD2 3.47Å; V27-Y31 PolarHBondContact O-N 3.1Å; T28-Y31 PolarHBondContact O-N 3.4Å; Y31-K33 PolarHBondContact O-N 2.91Å; Y31-L34 PolarHBondContact O-N 2.89Å; Y31-F35 HydrophobicContact CD1-CE2 4.15Å; Y31-F35 WeakPolarHBondContact O-CD2 3.43Å; Y31-F35 PolarHBondContact O-N 3.34Å; Y31-T227 HydrophobicContact CD2-CG2 4.1Å; Y31-T227 HydrophobicContact CE2-CG2 4.25Å; Y31-L231 HydrophobicContact CD1-CD2 4.12Å; Y31-L231 HydrophobicContact CE1-CD1 4.36Å; Y31-L231 HydrophobicContact CE1-CD2 4.32Å
32F98.3Very high98Very high42 Ų4261.4 Ų61.418%0.18432%0.32CS..Hα-helixtrans-55-49.5175.7160.7-115.5000111.8T28 E29 S36 V99 L102 K103 V106T28-F32 PolarHBondContact O-N 2.93Å; E29-F32 WeakPolarHBondContact O-CB 3.46Å; E29-F32 PolarHBondContact O-N 2.91Å; F32-S36 WeakPolarHBondContact O-CB 3.49Å; F32-S36 PolarHBondContact O-N 3.31Å; F32-V99 HydrophobicContact CD2-CG1 4.07Å; F32-V99 HydrophobicContact CE2-CG1 3.75Å; F32-L102 HydrophobicContact CB-CB 4.01Å; F32-L102 HydrophobicContact CD2-CB 4.38Å; F32-K103 HydrophobicContact CD2-CB 3.83Å; F32-K103 HydrophobicContact CE1-CG 4.48Å; F32-K103 HydrophobicContact CE2-CB 3.55Å; F32-K103 HydrophobicContact CE2-CD 4.26Å; F32-K103 HydrophobicContact CE2-CG 3.98Å; F32-K103 HydrophobicContact CZ-CB 4.03Å; F32-K103 HydrophobicContact CZ-CD 4.11Å; F32-K103 HydrophobicContact CZ-CG 3.93Å; F32-V106 HydrophobicContact CB-CG2 4.49Å
33K98.3Very high98Very high105 Ų10560.6 Ų60.646%0.45732%0.315SS..Hα-helixtrans-62-48.8179.6-72.6174.2-176.4163.70111.6E29 S30 Y31 F35 S36 D37E29-K33 WeakPolarHBondContact O-CG 3.34Å; E29-K33 PolarHBondContact O-N 3.17Å; E29-K33 WeakPolarHBondContact OE1-CE 3.48Å; E29-K33 IonicContact OE1-NZ 3.67Å; E29-K33 PolarHBondContact OE1-NZ 3.39Å; S30-K33 PolarHBondContact O-N 3.38Å; Y31-K33 PolarHBondContact O-N 2.91Å; K33-F35 PolarHBondContact O-N 2.98Å; K33-S36 WeakPolarHBondContact O-CB 3.27Å; K33-S36 PolarHBondContact O-N 3.29Å; K33-D37 PolarHBondContact O-N 2.86Å
34L98.3Very high98Very high94 Ų9460 Ų6049%0.49231%0.309SS..Hα-helixtrans-53.7-53.7177.9174.664000111.6S30 Y31 S36 D37 V38S30-L34 WeakPolarHBondContact O-CB 3.45Å; S30-L34 PolarHBondContact O-N 3.35Å; Y31-L34 PolarHBondContact O-N 2.89Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 3.46Å; L34-D37 PolarHBondContact O-N 3.02Å; L34-V38 HydrophobicContact CD1-CG2 4.18Å; L34-V38 VanDerWaalsContact O-CG2 3.32Å; L34-V38 WeakPolarHBondContact O-CG2 3.43Å; L34-V38 PolarHBondContact O-N 3.03Å
35F98.3Very high98Very high28 Ų2862 Ų6212%0.12332%0.317CS..Hα-helixtrans-71.2-28.1-178-72.4-62.6000113.1Y31 K33 Q39 V99 L102 L231 V234Y31-F35 HydrophobicContact CD1-CE2 4.15Å; Y31-F35 WeakPolarHBondContact O-CD2 3.43Å; Y31-F35 PolarHBondContact O-N 3.34Å; K33-F35 PolarHBondContact O-N 2.98Å; F35-Q39 WeakPolarHBondContact O-CB 3.5Å; F35-Q39 PolarHBondContact O-N 3.32Å; F35-V99 HydrophobicContact CB-CG2 4.1Å; F35-L102 HydrophobicContact CD2-CD1 3.96Å; F35-L231 HydrophobicContact CD2-CD2 4.47Å; F35-L231 HydrophobicContact CE2-CD2 3.38Å; F35-L231 HydrophobicContact CZ-CD2 3.8Å; F35-V234 HydrophobicContact CD1-CG1 4.33Å; F35-V234 HydrophobicContact CD1-CG2 4.06Å; F35-V234 HydrophobicContact CE1-CB 4.28Å; F35-V234 HydrophobicContact CE1-CG1 3.65Å; F35-V234 HydrophobicContact CE1-CG2 3.75Å; F35-V234 HydrophobicContact CE2-CG2 4.32Å; F35-V234 HydrophobicContact CG-CG2 4.5Å; F35-V234 HydrophobicContact CZ-CB 4.49Å; F35-V234 HydrophobicContact CZ-CG1 4.23Å; F35-V234 HydrophobicContact CZ-CG2 3.88Å
36S98.3Very high98Very high18 Ų1861.8 Ų61.813%0.12632%0.316CS..Hα-helixtrans-62.1-43.4170.9-1710000111.6F32 K33 L34 K40F32-S36 WeakPolarHBondContact O-CB 3.49Å; F32-S36 PolarHBondContact O-N 3.31Å; K33-S36 WeakPolarHBondContact O-CB 3.27Å; K33-S36 PolarHBondContact O-N 3.29Å; L34-S36 VanDerWaalsContact C-N 3.33Å; L34-S36 PolarHBondContact O-N 3.46Å; S36-K40 VanDerWaalsContact O-CG 3.31Å; S36-K40 WeakPolarHBondContact O-CG 3.4Å; S36-K40 PolarHBondContact O-N 3.33Å; S36-K40 VanDerWaalsContact O-N 3.16Å; S36-K40 PolarHBondContact OG-NZ 2.94Å
37D98.5Very high98Very high97 Ų9763.5 Ų63.552%0.51932%0.315SS..Hα-helixtrans-73.5-42.9-179.4-68.7-18.4000112K33 L34 Q39 K40 L41K33-D37 PolarHBondContact O-N 2.86Å; L34-D37 PolarHBondContact O-N 3.02Å; D37-Q39 VanDerWaalsContact C-N 3.3Å; D37-Q39 PolarHBondContact O-N 2.97Å; D37-K40 PolarHBondContact O-N 3.01Å; D37-K40 IonicContact OD1-NZ 3.23Å; D37-L41 PolarHBondContact O-N 2.78Å
38V97.8Very high98Very high63 Ų6366.6 Ų66.638%0.38232%0.323SS..Hα-helixtrans-57.2-45.3173.3170.20000110.9L34 K40 L41 Q42 L94L34-V38 HydrophobicContact CD1-CG2 4.18Å; L34-V38 VanDerWaalsContact O-CG2 3.32Å; L34-V38 WeakPolarHBondContact O-CG2 3.43Å; L34-V38 PolarHBondContact O-N 3.03Å; V38-K40 PolarHBondContact O-N 2.69Å; V38-L41 PolarHBondContact O-N 3.43Å; V38-Q42 WeakPolarHBondContact O-CB 3.48Å; V38-Q42 PolarHBondContact O-N 3.37Å; V38-L94 HydrophobicContact CG1-CD2 4.45Å
39Q97.8Very high98Very high21 Ų2168.3 Ų68.310%0.09833%0.332CS..Hα-helixtrans-60.7-45.6178.9-179.7-83.2-40.500112.3F35 D37 Q42 H43 S91 L94 N95 V99F35-Q39 WeakPolarHBondContact O-CB 3.5Å; F35-Q39 PolarHBondContact O-N 3.32Å; D37-Q39 VanDerWaalsContact C-N 3.3Å; D37-Q39 PolarHBondContact O-N 2.97Å; Q39-Q42 PolarHBondContact O-N 2.86Å; Q39-H43 WeakPolarHBondContact O-CB 3.42Å; Q39-H43 PolarHBondContact O-N 3.15Å; Q39-S91 WeakPolarHBondContact CG-O 3.32Å; Q39-S91 PolarHBondContact NE2-O 3.47Å; Q39-L94 HydrophobicContact CB-CD2 3.85Å; Q39-L94 HydrophobicContact CB-CG 4.23Å; Q39-L94 HydrophobicContact CG-CB 4.35Å; Q39-L94 HydrophobicContact CG-CD2 4.35Å; Q39-L94 HydrophobicContact CG-CG 4.39Å; Q39-N95 HydrophobicContact CG-CB 3.84Å; Q39-V99 HydrophobicContact CB-CG2 4.2Å
40K98.2Very high98Very high110 Ų11070 Ų7048%0.47834%0.336SS..Hα-helixtrans-63.7-42.3177.7-70.4167.5-165.5156.70111.8S36 D37 V38 Q42 H43 E44S36-K40 VanDerWaalsContact O-CG 3.31Å; S36-K40 WeakPolarHBondContact O-CG 3.4Å; S36-K40 PolarHBondContact O-N 3.33Å; S36-K40 VanDerWaalsContact O-N 3.16Å; S36-K40 PolarHBondContact OG-NZ 2.94Å; D37-K40 PolarHBondContact O-N 3.01Å; D37-K40 IonicContact OD1-NZ 3.23Å; V38-K40 PolarHBondContact O-N 2.69Å; K40-Q42 VanDerWaalsContact C-N 3.35Å; K40-H43 PolarHBondContact O-N 3.34Å; K40-E44 PolarHBondContact O-N 2.98Å
41L97.9Very high97.9Very high130 Ų13072.4 Ų72.468%0.68134%0.337SS*.Hα-helixtrans-61.4-45.6177.5-17862.4000111D37 V38 H43 E44 F45D37-L41 PolarHBondContact O-N 2.78Å; V38-L41 PolarHBondContact O-N 3.43Å; L41-H43 VanDerWaalsContact C-N 3.35Å; L41-H43 PolarHBondContact O-N 3.47Å; L41-E44 PolarHBondContact O-N 2.92Å; L41-F45 WeakPolarHBondContact O-CB 3.44Å; L41-F45 PolarHBondContact O-N 3.17Å
42Q97.3Very high97.9Very high29 Ų2972.3 Ų72.314%0.13635%0.346CS..Hα-helixtrans-62.8-40.3176.8-172.1-179.9-0.800112.2V38 Q39 K40 F45 G46 H87 S90V38-Q42 WeakPolarHBondContact O-CB 3.48Å; V38-Q42 PolarHBondContact O-N 3.37Å; Q39-Q42 PolarHBondContact O-N 2.86Å; K40-Q42 VanDerWaalsContact C-N 3.35Å; Q42-F45 PolarHBondContact O-N 2.81Å; Q42-G46 PolarHBondContact O-N 3.15Å; Q42-H87 HydrophobicContact CG-CB 4.46Å; Q42-S90 PolarHBondContact NE2-OG 2.88Å
43H97.9Very high97.8Very high65 Ų6570.9 Ų70.930%0.30134%0.341SS..Hα-helixtrans-61.4-49.2176-177.169.1000111.7Q39 K40 L41 F45 G46 K47 S91Q39-H43 WeakPolarHBondContact O-CB 3.42Å; Q39-H43 PolarHBondContact O-N 3.15Å; K40-H43 PolarHBondContact O-N 3.34Å; L41-H43 VanDerWaalsContact C-N 3.35Å; L41-H43 PolarHBondContact O-N 3.47Å; H43-F45 PolarHBondContact O-N 3.19Å; H43-G46 PolarHBondContact O-N 3.03Å; H43-K47 VanDerWaalsContact O-CB 3.24Å; H43-K47 WeakPolarHBondContact O-CB 3.37Å; H43-K47 PolarHBondContact O-N 3.34Å; H43-S91 WeakPolarHBondContact CA-OG 3.46Å; H43-S91 WeakPolarHBondContact CB-OG 3.45Å; H43-S91 PolarHBondContact ND1-OG 3.01Å
44E97.9Very high97.6Very high78 Ų7868.7 Ų68.736%0.36434%0.338SS..Hα-helixtrans-63.5-40.1179.1-78.9-63.7129.200112.2K40 L41 K47 K48K40-E44 PolarHBondContact O-N 2.98Å; L41-E44 PolarHBondContact O-N 2.92Å; E44-K47 IonicContact OE1-NZ 2.77Å; E44-K48 WeakPolarHBondContact O-CB 3.48Å; E44-K48 VanDerWaalsContact O-CG 3.29Å; E44-K48 WeakPolarHBondContact O-CG 3.46Å; E44-K48 PolarHBondContact O-N 3.47Å
45F98.1Very high97.5Very high107 Ų10769.7 Ų69.747%0.46935%0.348SS..Hα-helixtrans-58.9-55.4174.2173-104.1000111.7L41 Q42 H43 K47 K48 L49 H87L41-F45 WeakPolarHBondContact O-CB 3.44Å; L41-F45 PolarHBondContact O-N 3.17Å; Q42-F45 PolarHBondContact O-N 2.81Å; H43-F45 PolarHBondContact O-N 3.19Å; F45-K47 VanDerWaalsContact C-N 3.31Å; F45-K47 PolarHBondContact O-N 3.39Å; F45-K48 PolarHBondContact O-N 3.41Å; F45-L49 HydrophobicContact CE1-CD2 4.27Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 WeakPolarHBondContact O-CB 3.43Å; F45-L49 PolarHBondContact O-N 2.87Å; F45-H87 HydrophobicContact CD1-CB 4.21Å; F45-H87 AromaticContact CD1-CD2 3.97Å; F45-H87 AromaticContact CD1-CG 3.83Å; F45-H87 AromaticContact CE1-CD2 3.54Å; F45-H87 AromaticContact CE1-CG 3.9Å; F45-H87 AromaticContact CE1-NE2 3.66Å
46G97.7Very high97.4Very high0 Ų075 Ų750%037%0.368CS..Hα-helixtrans-60.1-42.2-178.600000112.2Q42 H43 L49 R50 G84Q42-G46 PolarHBondContact O-N 3.15Å; H43-G46 PolarHBondContact O-N 3.03Å; G46-L49 PolarHBondContact O-N 3.46Å; G46-R50 WeakPolarHBondContact O-CB 3.46Å; G46-R50 PolarHBondContact O-N 3.16Å; G46-G84 WeakPolarHBondContact CA-O 3.42Å
47K97.9Very high97.1Very high65 Ų6577.1 Ų77.128%0.28338%0.378SS..Hα-helixtrans-63.1-45.5177.8-179-179.7176.9-174.20112.8H43 E44 F45 K51 E88H43-K47 VanDerWaalsContact O-CB 3.24Å; H43-K47 WeakPolarHBondContact O-CB 3.37Å; H43-K47 PolarHBondContact O-N 3.34Å; E44-K47 IonicContact OE1-NZ 2.77Å; F45-K47 VanDerWaalsContact C-N 3.31Å; F45-K47 PolarHBondContact O-N 3.39Å; K47-K51 WeakPolarHBondContact O-CG 3.38Å; K47-K51 PolarHBondContact O-N 2.95Å; K47-K51 VanDerWaalsContact O-N 3.09Å; K47-E88 VanDerWaalsContact CA-CD 3.5Å; K47-E88 WeakPolarHBondContact CA-OE1 3.41Å; K47-E88 HydrophobicContact CB-CG 4.29Å; K47-E88 WeakPolarHBondContact CB-OE1 3.34Å
48K97.8Very high96.5Very high131 Ų13174.6 Ų74.657%0.5737%0.367SS*.Hα-helixtrans-65.5-45.9177.8-76178.1-177.1-179.80110.7E44 F45 R50 K51 T52E44-K48 WeakPolarHBondContact O-CB 3.48Å; E44-K48 VanDerWaalsContact O-CG 3.29Å; E44-K48 WeakPolarHBondContact O-CG 3.46Å; E44-K48 PolarHBondContact O-N 3.47Å; F45-K48 PolarHBondContact O-N 3.41Å; K48-R50 PolarHBondContact O-N 3.4Å; K48-K51 PolarHBondContact O-N 2.98Å; K48-T52 PolarHBondContact O-N 2.92Å; K48-T52 PolarHBondContact O-OG1 3.35Å; K48-T52 VanDerWaalsContact O-OG1 3.08Å
49L97.8Very high95.8Very high40 Ų4083.5 Ų83.521%0.20939%0.393CS..Hα-helixtrans-57.6-50.3177-179.359.6000111.2F45 G46 K51 T52 V53 I80 I83F45-L49 HydrophobicContact CE1-CD2 4.27Å; F45-L49 HydrophobicContact CZ-CD2 4.13Å; F45-L49 WeakPolarHBondContact O-CB 3.43Å; F45-L49 PolarHBondContact O-N 2.87Å; G46-L49 PolarHBondContact O-N 3.46Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.38Å; L49-T52 PolarHBondContact O-N 3.5Å; L49-V53 HydrophobicContact CD1-CG2 3.79Å; L49-V53 HydrophobicContact CG-CG2 4.31Å; L49-V53 WeakPolarHBondContact O-CB 3.45Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 2.96Å; L49-I80 HydrophobicContact CD1-CG2 4.31Å; L49-I83 HydrophobicContact CD2-CB 4.29Å; L49-I83 HydrophobicContact CD2-CG2 3.7Å
50R97.1Very high95Very high85 Ų8591.1 Ų91.132%0.32143%0.426SS..Hα-helixtrans-57.5-45.2178.2-171.8-170.763.2-138.5-29112.1G46 K48 S54 L81 V85 E88G46-R50 WeakPolarHBondContact O-CB 3.46Å; G46-R50 PolarHBondContact O-N 3.16Å; K48-R50 PolarHBondContact O-N 3.4Å; R50-S54 WeakPolarHBondContact O-CB 3.41Å; R50-S54 PolarHBondContact O-N 3.47Å; R50-L81 HydrophobicContact CB-CD1 4.36Å; R50-L81 HydrophobicContact CG-CD1 3.58Å; R50-L81 HydrophobicContact CG-CG 4.25Å; R50-L81 VanDerWaalsContact O-CD1 3.31Å; R50-L81 WeakPolarHBondContact O-CD1 3.42Å; R50-V85 HydrophobicContact CG-CG2 4.24Å; R50-E88 VanDerWaalsContact CZ-CD 3.46Å; R50-E88 IonicContact CZ-OE1 2.94Å; R50-E88 IonicContact CZ-OE2 2.72Å; R50-E88 IonicContact NE-OE2 2.97Å; R50-E88 IonicContact NH1-OE1 2.76Å; R50-E88 PolarHBondContact NH1-OE1 2.99Å; R50-E88 IonicContact NH1-OE2 3.29Å; R50-E88 PolarHBondContact NH1-OE2 2.94Å; R50-E88 IonicContact NH2-OE1 2.84Å; R50-E88 PolarHBondContact NH2-OE1 3.46Å; R50-E88 IonicContact NH2-OE2 2.81Å; R50-E88 PolarHBondContact NH2-OE2 3.39Å
51K97.1Very high94Very high125 Ų12595.6 Ų95.654%0.54345%0.446SS..Hα-helixtrans-62.7-47.5178.1-77.4-177.4176.2-168.20111.9K47 K48 L49 S54K47-K51 WeakPolarHBondContact O-CG 3.38Å; K47-K51 PolarHBondContact O-N 2.95Å; K47-K51 VanDerWaalsContact O-N 3.09Å; K48-K51 PolarHBondContact O-N 2.98Å; L49-K51 VanDerWaalsContact C-N 3.34Å; L49-K51 PolarHBondContact O-N 3.38Å; K51-S54 PolarHBondContact O-N 3.36Å; K51-S54 PolarHBondContact O-OG 3.34Å
52T96.9Very high92.9Very high85 Ų8591.4 Ų91.452%0.52143%0.426SS..Hα-helixtrans-60.1-49.2179-60.60000111K48 L49 S54 V55 Y56K48-T52 PolarHBondContact O-N 2.92Å; K48-T52 PolarHBondContact O-OG1 3.35Å; K48-T52 VanDerWaalsContact O-OG1 3.08Å; L49-T52 PolarHBondContact O-N 3.5Å; T52-S54 VanDerWaalsContact C-N 3.32Å; T52-S54 PolarHBondContact O-N 2.91Å; T52-V55 PolarHBondContact O-N 3.46Å; T52-Y56 HydrophobicContact CG2-CE2 4.3Å; T52-Y56 WeakPolarHBondContact O-CD2 3.25Å; T52-Y56 WeakPolarHBondContact O-CE2 3.31Å
53V96.5Very high92Very high13 Ų1395 Ų958%0.07945%0.446CS..Hα-helixtrans-67.6-32.7-176.8178.50000112L49 V55 Y56 V77 I80 L81L49-V53 HydrophobicContact CD1-CG2 3.79Å; L49-V53 HydrophobicContact CG-CG2 4.31Å; L49-V53 WeakPolarHBondContact O-CB 3.45Å; L49-V53 WeakPolarHBondContact O-CG2 3.33Å; L49-V53 PolarHBondContact O-N 2.96Å; V53-V55 PolarHBondContact O-N 3.02Å; V53-V55 VanDerWaalsContact O-N 3.09Å; V53-Y56 PolarHBondContact O-N 3.39Å; V53-V77 HydrophobicContact CG1-CG1 3.82Å; V53-V77 WeakPolarHBondContact CG1-O 3.45Å; V53-I80 HydrophobicContact CG1-CB 4.22Å; V53-I80 HydrophobicContact CG1-CG2 4.37Å; V53-I80 HydrophobicContact CG2-CB 4.32Å; V53-I80 HydrophobicContact CG2-CG2 3.58Å; V53-L81 HydrophobicContact CB-CD1 4.12Å; V53-L81 HydrophobicContact CG1-CB 3.92Å; V53-L81 HydrophobicContact CG1-CD1 4.17Å
54S95Very high90.8Very high58 Ų5897.5 Ų97.541%0.40647%0.466SS..Hα-helixtrans-57.9-27.6-178.271.20000114.3R50 K51 T52 Y56R50-S54 WeakPolarHBondContact O-CB 3.41Å; R50-S54 PolarHBondContact O-N 3.47Å; K51-S54 PolarHBondContact O-N 3.36Å; K51-S54 PolarHBondContact O-OG 3.34Å; T52-S54 VanDerWaalsContact C-N 3.32Å; T52-S54 PolarHBondContact O-N 2.91Å; S54-Y56 VanDerWaalsContact C-N 3.28Å; S54-Y56 PolarHBondContact O-N 3.24Å
55V96Very high89.7Confident115 Ų11598.8 Ų98.870%0.69748%0.476SS*.THydrogen-bonded Turntrans-71.4-25.6178.2-178.70000112T52 V53T52-V55 PolarHBondContact O-N 3.46Å; V53-V55 PolarHBondContact O-N 3.02Å; V53-V55 VanDerWaalsContact O-N 3.09Å
56Y95.4Very high89.1Confident139 Ų13996.5 Ų96.555%0.54547%0.466SS..THydrogen-bonded Turntrans-92.5-1.8-177.2-62.5-81.2000113.3T52 V53 S54 Y73T52-Y56 HydrophobicContact CG2-CE2 4.3Å; T52-Y56 WeakPolarHBondContact O-CD2 3.25Å; T52-Y56 WeakPolarHBondContact O-CE2 3.31Å; V53-Y56 PolarHBondContact O-N 3.39Å; S54-Y56 VanDerWaalsContact C-N 3.28Å; S54-Y56 PolarHBondContact O-N 3.24Å; Y56-Y73 PolarHBondContact O-OH 3.4Å
57L91.8Very high88.7Confident64 Ų6498.2 Ų98.234%0.33548%0.475SS..SBendtrans-60.1136178.5-77.2167.7000110.9R59 V77 P78 L81L57-R59 PolarHBondContact O-N 3.39Å; L57-V77 HydrophobicContact CD2-CG1 3.87Å; L57-V77 HydrophobicContact CG-CG1 4.23Å; L57-P78 HydrophobicContact CD2-CG 4.23Å; L57-L81 HydrophobicContact CD1-CD2 4.14Å; L57-L81 HydrophobicContact CD2-CD2 4.48Å
58P86.9Confident88.5Confident43 Ų4395.5 Ų95.528%0.27946%0.464SS..  trans-55.2124.8174-21.529.2000110.9K60 Y73P58-K60 PolarHBondContact O-N 2.99Å; P58-Y73 HydrophobicContact CG-CD1 4.19Å; P58-Y73 HydrophobicContact CG-CE1 4.16Å
59R83.2Confident88.2Confident251 Ų25191.8 Ų91.895%0.94746%0.455SS*.SBendtrans-66.6-27.9179.5-67.1-179.2-179.6-95.60.3112.7L57L57-R59 PolarHBondContact O-N 3.39Å
60K81.4Confident87.9Confident180 Ų18092.7 Ų92.778%0.78346%0.462SS*.SBendtrans-122.1140.1177.4-65.5-176.9179.5-179.40108P58P58-K60 PolarHBondContact O-N 2.99Å
61K77.2Confident87.7Confident204 Ų20491 Ų9189%0.88746%0.459SS*.PPolyproline II helixtrans-64126.6167.2-70.1-175.2178.6-178.50107.2
62P74.4Confident87.5Confident42 Ų4285.5 Ų85.527%0.27344%0.436SS..PPolyproline II helixtrans-63.8142.5176.631.1-37.4000108.8E66 V70 L71 S74P62-E66 HydrophobicContact CB-CB 4.3Å; P62-E66 HydrophobicContact CB-CG 4.13Å; P62-V70 HydrophobicContact CB-CG1 4.2Å; P62-L71 HydrophobicContact CB-CD2 3.84Å; P62-L71 HydrophobicContact CG-CD2 3.83Å; P62-S74 WeakPolarHBondContact CG-OG 3.24Å
63D77.3Confident87.4Confident104 Ų10486.7 Ų86.756%0.55643%0.432SS*.PPolyproline II helixtrans-65.8150.4166.7-163.4-8.6000108.9D65 E66D63-D65 PolarHBondContact O-N 3.46Å; D63-D65 VanDerWaalsContact O-N 3.13Å; D63-E66 HydrophobicContact CB-CG 4.2Å; D63-E66 WeakPolarHBondContact O-CB 3.39Å; D63-E66 WeakPolarHBondContact O-CG 3.35Å; D63-E66 PolarHBondContact O-N 2.86Å
64V72.9Confident87.2Confident119 Ų11986.9 Ų86.972%0.72143%0.434SS*.THydrogen-bonded Turntrans-58.5-27.4175.1-175.90000110.1E66V64-E66 VanDerWaalsContact C-N 3.27Å; V64-E66 PolarHBondContact O-N 2.94Å
65D74.5Confident87.1Confident105 Ų10586.9 Ų86.956%0.56143%0.433SS*.THydrogen-bonded Turntrans-83.214.7176.3-83.9-22.4000115.2D63 K267 R271D63-D65 PolarHBondContact O-N 3.46Å; D63-D65 VanDerWaalsContact O-N 3.13Å; D65-K267 VanDerWaalsContact CA-NZ 3.28Å; D65-K267 WeakPolarHBondContact O-CE 3.31Å; D65-K267 PolarHBondContact O-NZ 2.69Å; D65-R271 PolarHBondContact O-NH2 3.06Å
66E86Confident87.1Confident58 Ų5883.1 Ų83.127%0.27141%0.409SS..SBendtrans-77.8168171-71.2-67.6-168.100115.4P62 D63 V64 V70 L71 K267 R271P62-E66 HydrophobicContact CB-CB 4.3Å; P62-E66 HydrophobicContact CB-CG 4.13Å; D63-E66 HydrophobicContact CB-CG 4.2Å; D63-E66 WeakPolarHBondContact O-CB 3.39Å; D63-E66 WeakPolarHBondContact O-CG 3.35Å; D63-E66 PolarHBondContact O-N 2.86Å; V64-E66 VanDerWaalsContact C-N 3.27Å; V64-E66 PolarHBondContact O-N 2.94Å; E66-V70 HydrophobicContact CB-CB 4.38Å; E66-V70 HydrophobicContact CB-CG1 4.42Å; E66-L71 HydrophobicContact CB-CD2 4.37Å; E66-L71 HydrophobicContact CB-CG 4.36Å; E66-K267 PolarHBondContact O-NZ 2.6Å; E66-R271 IonicContact OE2-CZ 3.94Å; E66-R271 IonicContact OE2-NH1 3.75Å; E66-R271 PolarHBondContact OE2-NH1 2.82Å; E66-R271 IonicContact OE2-NH2 2.75Å; E66-R271 PolarHBondContact OE2-NH2 2.72Å
67L90.4Very high87.2Confident37 Ų3777 Ų7719%0.19439%0.386CS..  trans-59.9140.6171.7-66.6101.6000109.8S69 V70 L71 D264 V268L67-S69 WeakPolarHBondContact CB-OG 3.31Å; L67-S69 PolarHBondContact O-N 3.42Å; L67-V70 HydrophobicContact CB-CG2 4.27Å; L67-V70 WeakPolarHBondContact O-CB 3.36Å; L67-V70 PolarHBondContact O-N 3.27Å; L67-L71 PolarHBondContact O-N 3.01Å; L67-D264 HydrophobicContact CD2-CB 3.98Å; L67-V268 HydrophobicContact CD2-CG2 3.95Å
68S92Very high87.4Confident8 Ų876.3 Ų76.36%0.05639%0.385CS..Hα-helixtrans-52.8-39.7175.566.70000111.3V70 L71 T72 D260 D264S68-V70 VanDerWaalsContact C-N 3.33Å; S68-V70 PolarHBondContact O-N 2.93Å; S68-L71 PolarHBondContact O-N 3.37Å; S68-L71 VanDerWaalsContact O-N 3.16Å; S68-T72 WeakPolarHBondContact O-CB 3.33Å; S68-T72 PolarHBondContact O-N 3.37Å; S68-T72 PolarHBondContact O-OG1 2.96Å; S68-T72 VanDerWaalsContact O-OG1 3.06Å; S68-D260 PolarHBondContact OG-N 3.32Å; S68-D260 PolarHBondContact OG-O 3.01Å; S68-D264 WeakPolarHBondContact CA-OD1 3.41Å; S68-D264 VanDerWaalsContact CB-OD1 3.26Å; S68-D264 WeakPolarHBondContact CB-OD1 3.21Å; S68-D264 PolarHBondContact N-OD1 3.23Å; S68-D264 PolarHBondContact OG-OD1 3.25Å; S68-D264 PolarHBondContact OG-OD2 2.96Å
69S91.4Very high87.8Confident53 Ų5376.2 Ų76.237%0.37138%0.381SS..Hα-helixtrans-53-43.5172.145.60000114.2L67 Y73 D264L67-S69 WeakPolarHBondContact CB-OG 3.31Å; L67-S69 PolarHBondContact O-N 3.42Å; S69-Y73 PolarHBondContact O-N 3.49Å; S69-Y73 VanDerWaalsContact O-N 3.12Å; S69-D264 WeakPolarHBondContact CB-OD2 3.49Å; S69-D264 PolarHBondContact N-OD2 3.35Å; S69-D264 PolarHBondContact OG-OD2 3Å
70V92.4Very high88.5Confident59 Ų5967.1 Ų67.136%0.35835%0.351SS..Hα-helixtrans-72.8-39.3178178.70000111.3P62 E66 L67 S68 S74P62-V70 HydrophobicContact CB-CG1 4.2Å; E66-V70 HydrophobicContact CB-CB 4.38Å; E66-V70 HydrophobicContact CB-CG1 4.42Å; L67-V70 HydrophobicContact CB-CG2 4.27Å; L67-V70 WeakPolarHBondContact O-CB 3.36Å; L67-V70 PolarHBondContact O-N 3.27Å; S68-V70 VanDerWaalsContact C-N 3.33Å; S68-V70 PolarHBondContact O-N 2.93Å; V70-S74 WeakPolarHBondContact O-CB 3.39Å; V70-S74 PolarHBondContact O-N 2.97Å; V70-S74 PolarHBondContact O-OG 3.45Å
71L92.4Very high89.2Confident50 Ų5060.3 Ų60.326%0.26232%0.323SS..Hα-helixtrans-64.2-43.9176.6-66.7174.5000111.6P62 E66 L67 S68 S74 S75P62-L71 HydrophobicContact CB-CD2 3.84Å; P62-L71 HydrophobicContact CG-CD2 3.83Å; E66-L71 HydrophobicContact CB-CD2 4.37Å; E66-L71 HydrophobicContact CB-CG 4.36Å; L67-L71 PolarHBondContact O-N 3.01Å; S68-L71 PolarHBondContact O-N 3.37Å; S68-L71 VanDerWaalsContact O-N 3.16Å; L71-S74 PolarHBondContact O-N 3.03Å; L71-S75 WeakPolarHBondContact O-CB 3.48Å; L71-S75 PolarHBondContact O-N 3Å; L71-S75 PolarHBondContact O-OG 3.35Å
72T93.3Very high90.2Very high9 Ų954.7 Ų54.76%0.05530%0.3CS..Hα-helixtrans-62.8-48.7176.6-64.90000111.1S68 S74 S75 I76 A255 L259S68-T72 WeakPolarHBondContact O-CB 3.33Å; S68-T72 PolarHBondContact O-N 3.37Å; S68-T72 PolarHBondContact O-OG1 2.96Å; S68-T72 VanDerWaalsContact O-OG1 3.06Å; T72-S74 VanDerWaalsContact C-N 3.27Å; T72-S74 PolarHBondContact O-N 3.36Å; T72-S75 WeakPolarHBondContact O-CB 3.29Å; T72-S75 PolarHBondContact O-N 3.16Å; T72-I76 HydrophobicContact CG2-CD1 3.52Å; T72-I76 HydrophobicContact CG2-CG1 4.19Å; T72-I76 WeakPolarHBondContact O-CG1 3.45Å; T72-I76 PolarHBondContact O-N 3.42Å; T72-A255 HydrophobicContact CG2-CB 4.3Å; T72-A255 WeakPolarHBondContact CG2-O 3.36Å; T72-A255 PolarHBondContact OG1-O 3.35Å; T72-L259 HydrophobicContact CG2-CD1 4.04Å; T72-L259 HydrophobicContact CG2-CD2 3.91Å; T72-L259 HydrophobicContact CG2-CG 3.83Å; T72-L259 VanDerWaalsContact OG1-CD2 3.25Å; T72-L259 WeakPolarHBondContact OG1-CD2 3.49Å; T72-L259 WeakPolarHBondContact OG1-CG 3.43Å
73Y94.5Very high91.3Very high110 Ų11054 Ų5443%0.43129%0.294SS..Hα-helixtrans-55.5-45.9174.7179.7-93.2000111.6Y56 P58 S69 S75 I76 V77Y56-Y73 PolarHBondContact O-OH 3.4Å; P58-Y73 HydrophobicContact CG-CD1 4.19Å; P58-Y73 HydrophobicContact CG-CE1 4.16Å; S69-Y73 PolarHBondContact O-N 3.49Å; S69-Y73 VanDerWaalsContact O-N 3.12Å; Y73-S75 PolarHBondContact O-N 3.41Å; Y73-I76 PolarHBondContact O-N 2.92Å; Y73-V77 HydrophobicContact CD1-CG2 4.25Å; Y73-V77 HydrophobicContact CD2-CG2 4.16Å; Y73-V77 HydrophobicContact CE1-CG2 3.82Å; Y73-V77 HydrophobicContact CE2-CG2 3.75Å; Y73-V77 HydrophobicContact CG-CG2 4.4Å; Y73-V77 WeakPolarHBondContact O-CG2 3.28Å; Y73-V77 PolarHBondContact O-N 2.87Å
74S93.4Very high92.2Very high17 Ų1749.1 Ų49.112%0.11927%0.267CS..Hα-helixtrans-66.3-21.4179.4-58.10000113.8P62 V70 L71 T72 P78P62-S74 WeakPolarHBondContact CG-OG 3.24Å; V70-S74 WeakPolarHBondContact O-CB 3.39Å; V70-S74 PolarHBondContact O-N 2.97Å; V70-S74 PolarHBondContact O-OG 3.45Å; L71-S74 PolarHBondContact O-N 3.03Å; T72-S74 VanDerWaalsContact C-N 3.27Å; T72-S74 PolarHBondContact O-N 3.36Å; S74-P78 WeakPolarHBondContact O-CD 3.22Å; S74-P78 VanDerWaalsContact O-CG 3.27Å; S74-P78 WeakPolarHBondContact O-CG 3.14Å
75S93Very high93.4Very high57 Ų5745.9 Ų45.940%0.39925%0.248SC..Hα-helixtrans-87.9-37.8176.3-58.40000112.1L71 T72 Y73 Q79L71-S75 WeakPolarHBondContact O-CB 3.48Å; L71-S75 PolarHBondContact O-N 3Å; L71-S75 PolarHBondContact O-OG 3.35Å; T72-S75 WeakPolarHBondContact O-CB 3.29Å; T72-S75 PolarHBondContact O-N 3.16Å; Y73-S75 PolarHBondContact O-N 3.41Å; S75-Q79 WeakPolarHBondContact O-CG 3.12Å
76I95.9Very high94.5Very high36 Ų3641.1 Ų41.119%0.18522%0.222CC..Hα-helixtrans-73.7-46.9-176.3-68.9173.3000112.1T72 Y73 Q79 I80 I252 A255 V256T72-I76 HydrophobicContact CG2-CD1 3.52Å; T72-I76 HydrophobicContact CG2-CG1 4.19Å; T72-I76 WeakPolarHBondContact O-CG1 3.45Å; T72-I76 PolarHBondContact O-N 3.42Å; Y73-I76 PolarHBondContact O-N 2.92Å; I76-Q79 WeakPolarHBondContact O-CA 3.45Å; I76-Q79 WeakPolarHBondContact O-CB 3.46Å; I76-Q79 PolarHBondContact O-N 3.35Å; I76-I80 HydrophobicContact CG2-CD1 3.86Å; I76-I80 HydrophobicContact CG2-CG1 4.21Å; I76-I80 PolarHBondContact O-N 3Å; I76-I80 VanDerWaalsContact O-N 3.14Å; I76-I252 HydrophobicContact CD1-CG2 4.41Å; I76-I252 HydrophobicContact CG1-CG2 4.21Å; I76-I252 HydrophobicContact CG2-CG1 4.36Å; I76-I252 HydrophobicContact CG2-CG2 4.44Å; I76-A255 HydrophobicContact CG1-CB 4.07Å; I76-V256 HydrophobicContact CD1-CG2 3.74Å
77V96.1Very high95.1Very high10 Ų1040 Ų406%0.06122%0.217CC..Hα-helixtrans-57.5-44.5-173.9178.20000112.4V53 L57 Y73 Q79 I80 L81V53-V77 HydrophobicContact CG1-CG1 3.82Å; V53-V77 WeakPolarHBondContact CG1-O 3.45Å; L57-V77 HydrophobicContact CD2-CG1 3.87Å; L57-V77 HydrophobicContact CG-CG1 4.23Å; Y73-V77 HydrophobicContact CD1-CG2 4.25Å; Y73-V77 HydrophobicContact CD2-CG2 4.16Å; Y73-V77 HydrophobicContact CE1-CG2 3.82Å; Y73-V77 HydrophobicContact CE2-CG2 3.75Å; Y73-V77 HydrophobicContact CG-CG2 4.4Å; Y73-V77 WeakPolarHBondContact O-CG2 3.28Å; Y73-V77 PolarHBondContact O-N 2.87Å; V77-Q79 VanDerWaalsContact C-N 3.29Å; V77-Q79 PolarHBondContact O-N 3.49Å; V77-I80 PolarHBondContact O-N 3.1Å; V77-L81 PolarHBondContact O-N 2.95Å
78P95.9Very high95.4Very high50 Ų5039.3 Ų39.333%0.32521%0.213SC..Hα-helixtrans-59.6-33.3172.9-26.136.3000114.4L57 S74 L81 E82L57-P78 HydrophobicContact CD2-CG 4.23Å; S74-P78 WeakPolarHBondContact O-CD 3.22Å; S74-P78 VanDerWaalsContact O-CG 3.27Å; S74-P78 WeakPolarHBondContact O-CG 3.14Å; P78-L81 WeakPolarHBondContact O-CB 3.49Å; P78-L81 PolarHBondContact O-N 3.36Å; P78-E82 PolarHBondContact O-N 3.14Å
79Q96.8Very high95.6Very high41 Ų4141.2 Ų41.219%0.19223%0.229CC..Hα-helixtrans-68.7-39.4177.2-58.4-56.9-17.100111.8S75 I76 V77 L81 E82 I83 C248 L251 I252S75-Q79 WeakPolarHBondContact O-CG 3.12Å; I76-Q79 WeakPolarHBondContact O-CA 3.45Å; I76-Q79 WeakPolarHBondContact O-CB 3.46Å; I76-Q79 PolarHBondContact O-N 3.35Å; V77-Q79 VanDerWaalsContact C-N 3.29Å; V77-Q79 PolarHBondContact O-N 3.49Å; Q79-L81 VanDerWaalsContact C-N 3.28Å; Q79-L81 PolarHBondContact O-N 2.9Å; Q79-E82 WeakPolarHBondContact O-CB 3.01Å; Q79-E82 PolarHBondContact O-N 3.03Å; Q79-I83 WeakPolarHBondContact O-CG1 3.46Å; Q79-I83 PolarHBondContact O-N 3.1Å; Q79-C248 HydrophobicContact CB-CB 4.47Å; Q79-L251 HydrophobicContact CG-CB 4.11Å; Q79-L251 VanDerWaalsContact NE2-CD1 3.3Å; Q79-I252 HydrophobicContact CB-CD1 3.86Å; Q79-I252 HydrophobicContact CB-CG1 3.62Å; Q79-I252 HydrophobicContact CG-CG1 4.02Å
80I97Very high95.9Very high60 Ų6039 Ų3931%0.30821%0.214SC..Hα-helixtrans-66.3-35.1175-53.9176.7000110.4L49 V53 I76 V77 I83 G84 I252L49-I80 HydrophobicContact CD1-CG2 4.31Å; V53-I80 HydrophobicContact CG1-CB 4.22Å; V53-I80 HydrophobicContact CG1-CG2 4.37Å; V53-I80 HydrophobicContact CG2-CB 4.32Å; V53-I80 HydrophobicContact CG2-CG2 3.58Å; I76-I80 HydrophobicContact CG2-CD1 3.86Å; I76-I80 HydrophobicContact CG2-CG1 4.21Å; I76-I80 PolarHBondContact O-N 3Å; I76-I80 VanDerWaalsContact O-N 3.14Å; V77-I80 PolarHBondContact O-N 3.1Å; I80-I83 WeakPolarHBondContact O-CB 3.49Å; I80-I83 PolarHBondContact O-N 3.34Å; I80-G84 PolarHBondContact O-N 2.78Å; I80-I252 HydrophobicContact CG1-CD1 4.28Å
81L96.9Very high96.2Very high38 Ų3836.2 Ų36.220%0.19920%0.197CC..Hα-helixtrans-62.8-43.9173.3-170.877.3000111.2R50 V53 L57 V77 P78 Q79 I83 G84 V85R50-L81 HydrophobicContact CB-CD1 4.36Å; R50-L81 HydrophobicContact CG-CD1 3.58Å; R50-L81 HydrophobicContact CG-CG 4.25Å; R50-L81 VanDerWaalsContact O-CD1 3.31Å; R50-L81 WeakPolarHBondContact O-CD1 3.42Å; V53-L81 HydrophobicContact CB-CD1 4.12Å; V53-L81 HydrophobicContact CG1-CB 3.92Å; V53-L81 HydrophobicContact CG1-CD1 4.17Å; L57-L81 HydrophobicContact CD1-CD2 4.14Å; L57-L81 HydrophobicContact CD2-CD2 4.48Å; V77-L81 PolarHBondContact O-N 2.95Å; P78-L81 WeakPolarHBondContact O-CB 3.49Å; P78-L81 PolarHBondContact O-N 3.36Å; Q79-L81 VanDerWaalsContact C-N 3.28Å; Q79-L81 PolarHBondContact O-N 2.9Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.23Å; L81-G84 PolarHBondContact O-N 2.75Å; L81-G84 VanDerWaalsContact O-N 3.08Å; L81-V85 PolarHBondContact O-N 3.06Å
82E97.2Very high96.4Very high85 Ų8539.9 Ų39.940%0.39721%0.21SC..Hα-helixtrans-63.2-32.7178.4-173.658.1-152.500112.5P78 Q79 G84 V85 T86P78-E82 PolarHBondContact O-N 3.14Å; Q79-E82 WeakPolarHBondContact O-CB 3.01Å; Q79-E82 PolarHBondContact O-N 3.03Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 3.18Å; E82-V85 PolarHBondContact O-N 3.33Å; E82-T86 VanDerWaalsContact O-CB 3.27Å; E82-T86 WeakPolarHBondContact O-CB 3.23Å; E82-T86 PolarHBondContact O-N 3.49Å; E82-T86 PolarHBondContact O-OG1 3.3Å
83I97.6Very high96.7Very high29 Ų2942.6 Ų42.615%0.14922%0.222CC..Hα-helixtrans-57.9-48170.4-68171.9000110.2L49 Q79 I80 L81 V85 T86 H87 L245 C248L49-I83 HydrophobicContact CD2-CB 4.29Å; L49-I83 HydrophobicContact CD2-CG2 3.7Å; Q79-I83 WeakPolarHBondContact O-CG1 3.46Å; Q79-I83 PolarHBondContact O-N 3.1Å; I80-I83 WeakPolarHBondContact O-CB 3.49Å; I80-I83 PolarHBondContact O-N 3.34Å; L81-I83 VanDerWaalsContact C-N 3.29Å; L81-I83 PolarHBondContact O-N 3.23Å; I83-V85 PolarHBondContact O-N 3.39Å; I83-T86 PolarHBondContact O-N 2.74Å; I83-H87 PolarHBondContact O-CD2 2.98Å; I83-H87 VanDerWaalsContact O-CD2 3.23Å; I83-H87 PolarHBondContact O-N 3.46Å; I83-L245 HydrophobicContact CB-CD2 4.04Å; I83-L245 HydrophobicContact CG1-CD2 3.87Å; I83-L245 HydrophobicContact CG2-CD2 3.71Å; I83-C248 HydrophobicContact CD1-CB 4.4Å; I83-C248 HydrophobicContact CG1-CB 4Å
84G97.3Very high96.8Very high0 Ų037.4 Ų37.40%020%0.201CC..Hα-helixtrans-59.6-46176.700000112.8G46 I80 L81 E82 T86 H87 E88G46-G84 WeakPolarHBondContact CA-O 3.42Å; I80-G84 PolarHBondContact O-N 2.78Å; L81-G84 PolarHBondContact O-N 2.75Å; L81-G84 VanDerWaalsContact O-N 3.08Å; E82-G84 VanDerWaalsContact C-N 3.34Å; E82-G84 PolarHBondContact O-N 3.18Å; G84-T86 VanDerWaalsContact C-N 3.35Å; G84-T86 PolarHBondContact O-N 3.31Å; G84-H87 PolarHBondContact O-N 3.45Å; G84-E88 PolarHBondContact O-N 3.3Å; G84-E88 VanDerWaalsContact O-N 3.13Å
85V97.4Very high97.1Very high52 Ų5238.9 Ų38.932%0.31521%0.208SC..Hα-helixtrans-61.2-42.5176.4173.90000111.5R50 L81 E82 I83 H87 E88 A89R50-V85 HydrophobicContact CG-CG2 4.24Å; L81-V85 PolarHBondContact O-N 3.06Å; E82-V85 PolarHBondContact O-N 3.33Å; I83-V85 PolarHBondContact O-N 3.39Å; V85-H87 PolarHBondContact O-N 2.98Å; V85-E88 PolarHBondContact O-N 3.16Å; V85-A89 WeakPolarHBondContact O-CB 3.32Å; V85-A89 PolarHBondContact O-N 3.38Å
86T97.8Very high97.3Very high4 Ų441.1 Ų41.13%0.02521%0.212CC..Hα-helixtrans-61.5-42.8178.5-71.40000111.5E82 I83 G84 A89 S90 T241 K244 L245E82-T86 VanDerWaalsContact O-CB 3.27Å; E82-T86 WeakPolarHBondContact O-CB 3.23Å; E82-T86 PolarHBondContact O-N 3.49Å; E82-T86 PolarHBondContact O-OG1 3.3Å; I83-T86 PolarHBondContact O-N 2.74Å; G84-T86 VanDerWaalsContact C-N 3.35Å; G84-T86 PolarHBondContact O-N 3.31Å; T86-A89 PolarHBondContact O-N 2.9Å; T86-S90 VanDerWaalsContact O-CB 3.24Å; T86-S90 WeakPolarHBondContact O-CB 3.46Å; T86-S90 PolarHBondContact O-N 3.27Å; T86-T241 HydrophobicContact CG2-CG2 3.92Å; T86-K244 HydrophobicContact CG2-CB 3.87Å; T86-K244 HydrophobicContact CG2-CD 4Å; T86-L245 HydrophobicContact CG2-CD2 4.06Å; T86-L245 HydrophobicContact CG2-CG 4.4Å
87H97.9Very high97.4Very high36 Ų3641.1 Ų41.117%0.16722%0.215CC..Hα-helixtrans-64.7-40.9175.1-82.1-76.6000112.7Q42 F45 I83 G84 V85 S90 S91Q42-H87 HydrophobicContact CG-CB 4.46Å; F45-H87 HydrophobicContact CD1-CB 4.21Å; F45-H87 AromaticContact CD1-CD2 3.97Å; F45-H87 AromaticContact CD1-CG 3.83Å; F45-H87 AromaticContact CE1-CD2 3.54Å; F45-H87 AromaticContact CE1-CG 3.9Å; F45-H87 AromaticContact CE1-NE2 3.66Å; I83-H87 PolarHBondContact O-CD2 2.98Å; I83-H87 VanDerWaalsContact O-CD2 3.23Å; I83-H87 PolarHBondContact O-N 3.46Å; G84-H87 PolarHBondContact O-N 3.45Å; V85-H87 PolarHBondContact O-N 2.98Å; H87-S90 PolarHBondContact O-N 2.83Å; H87-S91 WeakPolarHBondContact O-CB 3.45Å; H87-S91 PolarHBondContact O-N 2.94Å
88E96.8Very high97.5Very high21 Ų2140.7 Ų40.710%0.09821%0.213CC..Hα-helixtrans-65.1-44.3175.3-80.1175.1111.700112.2K47 R50 G84 V85 S90 S91 K92K47-E88 VanDerWaalsContact CA-CD 3.5Å; K47-E88 WeakPolarHBondContact CA-OE1 3.41Å; K47-E88 HydrophobicContact CB-CG 4.29Å; K47-E88 WeakPolarHBondContact CB-OE1 3.34Å; R50-E88 VanDerWaalsContact CZ-CD 3.46Å; R50-E88 IonicContact CZ-OE1 2.94Å; R50-E88 IonicContact CZ-OE2 2.72Å; R50-E88 IonicContact NE-OE2 2.97Å; R50-E88 IonicContact NH1-OE1 2.76Å; R50-E88 PolarHBondContact NH1-OE1 2.99Å; R50-E88 IonicContact NH1-OE2 3.29Å; R50-E88 PolarHBondContact NH1-OE2 2.94Å; R50-E88 IonicContact NH2-OE1 2.84Å; R50-E88 PolarHBondContact NH2-OE1 3.46Å; R50-E88 IonicContact NH2-OE2 2.81Å; R50-E88 PolarHBondContact NH2-OE2 3.39Å; G84-E88 PolarHBondContact O-N 3.3Å; G84-E88 VanDerWaalsContact O-N 3.13Å; V85-E88 PolarHBondContact O-N 3.16Å; E88-S90 VanDerWaalsContact C-N 3.34Å; E88-S90 PolarHBondContact O-N 2.86Å; E88-S91 PolarHBondContact O-N 3.38Å; E88-S91 PolarHBondContact O-OG 3.48Å; E88-K92 PolarHBondContact O-N 3.31Å
89A97.4Very high97.6Very high48 Ų4838.4 Ų38.440%0.39720%0.198SC..Hα-helixtrans-61.5-43.3176.700000111.6V85 T86 K92 K93V85-A89 WeakPolarHBondContact O-CB 3.32Å; V85-A89 PolarHBondContact O-N 3.38Å; T86-A89 PolarHBondContact O-N 2.9Å; A89-K92 PolarHBondContact O-N 2.96Å; A89-K93 PolarHBondContact O-N 3.4Å
90S97.7Very high97.7Very high7 Ų740 Ų405%0.04921%0.207CC..Hα-helixtrans-63.1-43.6175.6-179.50000111.7Q42 T86 H87 E88 K92 K93 L94 I237 T241Q42-S90 PolarHBondContact NE2-OG 2.88Å; T86-S90 VanDerWaalsContact O-CB 3.24Å; T86-S90 WeakPolarHBondContact O-CB 3.46Å; T86-S90 PolarHBondContact O-N 3.27Å; H87-S90 PolarHBondContact O-N 2.83Å; E88-S90 VanDerWaalsContact C-N 3.34Å; E88-S90 PolarHBondContact O-N 2.86Å; S90-K92 VanDerWaalsContact C-N 3.32Å; S90-K92 PolarHBondContact O-N 3.4Å; S90-K93 PolarHBondContact O-N 2.91Å; S90-L94 WeakPolarHBondContact O-CB 3.39Å; S90-L94 PolarHBondContact O-N 3.2Å; S90-I237 WeakPolarHBondContact OG-CG2 3.37Å; S90-T241 VanDerWaalsContact CB-OG1 3.26Å; S90-T241 WeakPolarHBondContact CB-OG1 3.42Å; S90-T241 PolarHBondContact OG-OG1 3.36Å
91S97.8Very high97.7Very high0 Ų038.6 Ų38.60%020%0.203CC..Hα-helixtrans-60.6-39.4174.977.70000112.5Q39 H43 H87 E88 N95Q39-S91 WeakPolarHBondContact CG-O 3.32Å; Q39-S91 PolarHBondContact NE2-O 3.47Å; H43-S91 WeakPolarHBondContact CA-OG 3.46Å; H43-S91 WeakPolarHBondContact CB-OG 3.45Å; H43-S91 PolarHBondContact ND1-OG 3.01Å; H87-S91 WeakPolarHBondContact O-CB 3.45Å; H87-S91 PolarHBondContact O-N 2.94Å; E88-S91 PolarHBondContact O-N 3.38Å; E88-S91 PolarHBondContact O-OG 3.48Å; S91-N95 PolarHBondContact O-N 2.95Å
92K97.7Very high97.8Very high127 Ų12736.8 Ų36.855%0.55219%0.193SC*.Hα-helixtrans-66.6-45.2176.8-177.1178.7174-1780110.8E88 A89 S90 L94 N95 E96E88-K92 PolarHBondContact O-N 3.31Å; A89-K92 PolarHBondContact O-N 2.96Å; S90-K92 VanDerWaalsContact C-N 3.32Å; S90-K92 PolarHBondContact O-N 3.4Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-L94 PolarHBondContact O-N 3.28Å; K92-N95 WeakPolarHBondContact O-CB 3.27Å; K92-N95 PolarHBondContact O-N 2.92Å; K92-E96 WeakPolarHBondContact CE-OE1 3.42Å; K92-E96 IonicContact NZ-OE1 3.46Å; K92-E96 WeakPolarHBondContact O-CG 3.4Å; K92-E96 PolarHBondContact O-N 3.03Å
93K97.7Very high97.9Very high66 Ų6637.3 Ų37.329%0.28719%0.194SC..Hα-helixtrans-62.1-41.2177.2-171172.4177.8176.60111.9A89 S90 N95 E96 S97 I237 E240A89-K93 PolarHBondContact O-N 3.4Å; S90-K93 PolarHBondContact O-N 2.91Å; K93-N95 VanDerWaalsContact C-N 3.35Å; K93-E96 PolarHBondContact O-N 3.15Å; K93-S97 WeakPolarHBondContact O-CB 3.48Å; K93-S97 PolarHBondContact O-N 2.88Å; K93-S97 PolarHBondContact O-OG 3.29Å; K93-I237 HydrophobicContact CD-CG1 4.08Å; K93-I237 HydrophobicContact CG-CD1 4Å; K93-I237 HydrophobicContact CG-CG1 4.09Å; K93-E240 VanDerWaalsContact NZ-CD 3.26Å; K93-E240 IonicContact NZ-OE1 3.19Å; K93-E240 PolarHBondContact NZ-OE1 3.09Å; K93-E240 VanDerWaalsContact NZ-OE1 3.11Å; K93-E240 IonicContact NZ-OE2 3.06Å; K93-E240 PolarHBondContact NZ-OE2 2.71Å
94L98.2Very high97.9Very high2 Ų239.3 Ų39.31%0.0121%0.208CC..Hα-helixtrans-61.5-42.5174.7-177.763.1000111.4V38 Q39 S90 K92 V98 V99 V234 I237V38-L94 HydrophobicContact CG1-CD2 4.45Å; Q39-L94 HydrophobicContact CB-CD2 3.85Å; Q39-L94 HydrophobicContact CB-CG 4.23Å; Q39-L94 HydrophobicContact CG-CB 4.35Å; Q39-L94 HydrophobicContact CG-CD2 4.35Å; Q39-L94 HydrophobicContact CG-CG 4.39Å; S90-L94 WeakPolarHBondContact O-CB 3.39Å; S90-L94 PolarHBondContact O-N 3.2Å; K92-L94 VanDerWaalsContact C-N 3.35Å; K92-L94 PolarHBondContact O-N 3.28Å; L94-V98 HydrophobicContact CD1-CB 3.95Å; L94-V98 HydrophobicContact CD1-CG1 4.44Å; L94-V98 HydrophobicContact CD1-CG2 3.94Å; L94-V98 WeakPolarHBondContact O-CB 3.5Å; L94-V98 PolarHBondContact O-N 3.06Å; L94-V99 PolarHBondContact O-N 3.45Å; L94-V99 VanDerWaalsContact O-N 3.11Å; L94-V234 HydrophobicContact CD1-CG1 4.4Å; L94-V234 HydrophobicContact CD1-CG2 4Å; L94-I237 HydrophobicContact CD1-CD1 4.4Å
95N98.3Very high97.9Very high47 Ų4740 Ų4025%0.25121%0.211SC..Iπ-helixtrans-61.4-50.1176.7-170.252.8000112.1Q39 S91 K92 K93 V99 N100Q39-N95 HydrophobicContact CG-CB 3.84Å; S91-N95 PolarHBondContact O-N 2.95Å; K92-N95 WeakPolarHBondContact O-CB 3.27Å; K92-N95 PolarHBondContact O-N 2.92Å; K93-N95 VanDerWaalsContact C-N 3.35Å; N95-V99 PolarHBondContact O-N 3.31Å; N95-N100 WeakPolarHBondContact O-CB 3.26Å; N95-N100 PolarHBondContact O-N 2.94Å
96E97.9Very high97.9Very high104 Ų10437.9 Ų37.949%0.48620%0.198SC..Iπ-helixtrans-71.5-40.5-175.8-70.2170.8-178.300112.7K92 K93 P101K92-E96 WeakPolarHBondContact CE-OE1 3.42Å; K92-E96 IonicContact NZ-OE1 3.46Å; K92-E96 WeakPolarHBondContact O-CG 3.4Å; K92-E96 PolarHBondContact O-N 3.03Å; K93-E96 PolarHBondContact O-N 3.15Å; E96-P101 VanDerWaalsContact O-CD 3.3Å; E96-P101 WeakPolarHBondContact O-CD 3.42Å
97S97.6Very high97.9Very high37 Ų3741.9 Ų41.926%0.25922%0.216SC..Iπ-helixtrans-92.2-19.6-171.5-50.20000114.2K93 P101K93-S97 WeakPolarHBondContact O-CB 3.48Å; K93-S97 PolarHBondContact O-N 2.88Å; K93-S97 PolarHBondContact O-OG 3.29Å; S97-P101 WeakPolarHBondContact O-CG 3.44Å
98V98.3Very high97.8Very high0 Ų043.9 Ų43.90%023%0.228CC..Iπ-helixtrans-128.4-57-174.6-177.50000111.8L94 P101 L102 M233 V234 I237L94-V98 HydrophobicContact CD1-CB 3.95Å; L94-V98 HydrophobicContact CD1-CG1 4.44Å; L94-V98 HydrophobicContact CD1-CG2 3.94Å; L94-V98 WeakPolarHBondContact O-CB 3.5Å; L94-V98 PolarHBondContact O-N 3.06Å; V98-P101 WeakPolarHBondContact O-CD 3.19Å; V98-L102 HydrophobicContact CG1-CD1 3.73Å; V98-L102 HydrophobicContact CG1-CG 4.3Å; V98-L102 WeakPolarHBondContact O-CB 3.36Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 2.91Å; V98-M233 HydrophobicContact CG2-CB 4.06Å; V98-M233 HydrophobicContact CG2-CG 4.04Å; V98-V234 HydrophobicContact CB-CG2 4.28Å; V98-V234 HydrophobicContact CG1-CG2 3.67Å; V98-V234 HydrophobicContact CG2-CG2 3.85Å; V98-I237 HydrophobicContact CG2-CD1 4.18Å
99V98.4Very high97.8Very high3 Ų343.9 Ų43.92%0.01823%0.228CC..Iπ-helixtrans-64.1-48.8-172.9-179.80000111.8F32 F35 Q39 L94 N95 L102 K103F32-V99 HydrophobicContact CD2-CG1 4.07Å; F32-V99 HydrophobicContact CE2-CG1 3.75Å; F35-V99 HydrophobicContact CB-CG2 4.1Å; Q39-V99 HydrophobicContact CB-CG2 4.2Å; L94-V99 PolarHBondContact O-N 3.45Å; L94-V99 VanDerWaalsContact O-N 3.11Å; N95-V99 PolarHBondContact O-N 3.31Å; V99-L102 PolarHBondContact O-N 3.23Å; V99-K103 WeakPolarHBondContact O-CB 3.38Å; V99-K103 PolarHBondContact O-N 3.46Å
100N98.3Very high97.8Very high73 Ų7346.3 Ų46.339%0.3923%0.23SC..Hα-helixtrans-63.8-46.2178.1-75.9-19000112.5N95 K103 T104N95-N100 WeakPolarHBondContact O-CB 3.26Å; N95-N100 PolarHBondContact O-N 2.94Å; N100-K103 PolarHBondContact O-N 3.18Å; N100-T104 PolarHBondContact O-N 3.36Å; N100-T104 PolarHBondContact O-OG1 3.47Å
101P98.4Very high97.8Very high32 Ų3252.4 Ų52.421%0.20825%0.252CS..Hα-helixtrans-59-43.9172-31.838.9000114.4E96 S97 V98 T104 Q105 L230E96-P101 VanDerWaalsContact O-CD 3.3Å; E96-P101 WeakPolarHBondContact O-CD 3.42Å; S97-P101 WeakPolarHBondContact O-CG 3.44Å; V98-P101 WeakPolarHBondContact O-CD 3.19Å; P101-T104 PolarHBondContact O-N 2.94Å; P101-Q105 VanDerWaalsContact O-CB 3.31Å; P101-Q105 WeakPolarHBondContact O-CB 3.49Å; P101-Q105 PolarHBondContact O-N 3.41Å; P101-L230 HydrophobicContact CB-CD1 4.1Å; P101-L230 HydrophobicContact CB-CD2 3.66Å; P101-L230 HydrophobicContact CG-CD2 4.33Å
102L98.2Very high97.7Very high0 Ų054.3 Ų54.30%027%0.265CS..Hα-helixtrans-61.5-44.5176.4-79174.5000111.2T28 F32 F35 V98 V99 T104 Q105 V106 L230T28-L102 HydrophobicContact CG2-CD2 4.39Å; F32-L102 HydrophobicContact CB-CB 4.01Å; F32-L102 HydrophobicContact CD2-CB 4.38Å; F35-L102 HydrophobicContact CD2-CD1 3.96Å; V98-L102 HydrophobicContact CG1-CD1 3.73Å; V98-L102 HydrophobicContact CG1-CG 4.3Å; V98-L102 WeakPolarHBondContact O-CB 3.36Å; V98-L102 WeakPolarHBondContact O-CG 3.35Å; V98-L102 PolarHBondContact O-N 2.91Å; V99-L102 PolarHBondContact O-N 3.23Å; L102-T104 VanDerWaalsContact C-N 3.34Å; L102-T104 PolarHBondContact O-N 3.46Å; L102-Q105 WeakPolarHBondContact O-CB 3.45Å; L102-Q105 PolarHBondContact O-N 3.41Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.27Å; L102-L230 HydrophobicContact CD2-CB 4.35Å; L102-L230 HydrophobicContact CD2-CD1 3.59Å; L102-L230 HydrophobicContact CG-CD1 3.83Å
103K98.2Very high97.6Very high96 Ų9649.2 Ų49.242%0.41724%0.244SC..Hα-helixtrans-56.6-49.7175.2-173.5-177.8172.8-175.80111.5F32 V99 N100 Q105 V106 E107F32-K103 HydrophobicContact CD2-CB 3.83Å; F32-K103 HydrophobicContact CE1-CG 4.48Å; F32-K103 HydrophobicContact CE2-CB 3.55Å; F32-K103 HydrophobicContact CE2-CD 4.26Å; F32-K103 HydrophobicContact CE2-CG 3.98Å; F32-K103 HydrophobicContact CZ-CB 4.03Å; F32-K103 HydrophobicContact CZ-CD 4.11Å; F32-K103 HydrophobicContact CZ-CG 3.93Å; V99-K103 WeakPolarHBondContact O-CB 3.38Å; V99-K103 PolarHBondContact O-N 3.46Å; N100-K103 PolarHBondContact O-N 3.18Å; K103-Q105 VanDerWaalsContact C-N 3.31Å; K103-Q105 PolarHBondContact O-N 3.46Å; K103-V106 PolarHBondContact O-N 3.28Å; K103-E107 WeakPolarHBondContact CE-OE1 3.45Å; K103-E107 WeakPolarHBondContact O-CG 3.45Å; K103-E107 PolarHBondContact O-N 3.18Å
104T98Very high97.5Very high70 Ų7053 Ų5343%0.42926%0.263SS..Hα-helixtrans-62.5-40.8-180-51.80000110.9N100 P101 L102 E107 N108N100-T104 PolarHBondContact O-N 3.36Å; N100-T104 PolarHBondContact O-OG1 3.47Å; P101-T104 PolarHBondContact O-N 2.94Å; L102-T104 VanDerWaalsContact C-N 3.34Å; L102-T104 PolarHBondContact O-N 3.46Å; T104-E107 PolarHBondContact O-N 3.35Å; T104-N108 WeakPolarHBondContact O-CB 3.48Å; T104-N108 PolarHBondContact O-N 3.2Å; T104-N108 PolarHBondContact O-ND2 3.05Å
105Q97.4Very high97.5Very high16 Ų1660.3 Ų60.38%0.07530%0.295CS..Hα-helixtrans-60.8-49.8176.8177.6178.2-13.300111.2T28 P101 L102 K103 E107 N108 E109 R223 R226 T227T28-Q105 HydrophobicContact CG2-CG 4.4Å; P101-Q105 VanDerWaalsContact O-CB 3.31Å; P101-Q105 WeakPolarHBondContact O-CB 3.49Å; P101-Q105 PolarHBondContact O-N 3.41Å; L102-Q105 WeakPolarHBondContact O-CB 3.45Å; L102-Q105 PolarHBondContact O-N 3.41Å; K103-Q105 VanDerWaalsContact C-N 3.31Å; K103-Q105 PolarHBondContact O-N 3.46Å; Q105-E107 VanDerWaalsContact C-N 3.34Å; Q105-E107 PolarHBondContact O-N 2.93Å; Q105-N108 PolarHBondContact O-N 3.11Å; Q105-N108 VanDerWaalsContact O-N 3.17Å; Q105-E109 HydrophobicContact CG-CG 4.32Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.39Å; Q105-E109 PolarHBondContact NE2-OE1 2.86Å; Q105-E109 WeakPolarHBondContact O-CB 3.24Å; Q105-E109 VanDerWaalsContact O-CG 3.3Å; Q105-E109 WeakPolarHBondContact O-CG 3.38Å; Q105-E109 PolarHBondContact O-N 3.3Å; Q105-R223 PolarHBondContact NE2-O 3.47Å; Q105-R226 VanDerWaalsContact OE1-CG 3.24Å; Q105-T227 PolarHBondContact NE2-OG1 2.8Å; Q105-T227 VanDerWaalsContact NE2-OG1 3.13Å
106V97.9Very high97.4Very high7 Ų759.2 Ų59.24%0.04229%0.288CS..Hα-helixtrans-58.9-44.3177.8172.90000111.5T28 E29 F32 L102 K103 N108 E109 K110T28-V106 HydrophobicContact CG2-CG2 3.73Å; E29-V106 HydrophobicContact CB-CG1 4.08Å; E29-V106 HydrophobicContact CB-CG2 4.26Å; E29-V106 HydrophobicContact CG-CG1 4.29Å; F32-V106 HydrophobicContact CB-CG2 4.49Å; L102-V106 WeakPolarHBondContact O-CG2 3.44Å; L102-V106 PolarHBondContact O-N 3.27Å; K103-V106 PolarHBondContact O-N 3.28Å; V106-N108 PolarHBondContact O-N 3.42Å; V106-E109 PolarHBondContact O-N 3.43Å; V106-K110 HydrophobicContact CG1-CD 4.27Å; V106-K110 WeakPolarHBondContact O-CG 3.36Å; V106-K110 PolarHBondContact O-N 3.26Å
107E97.5Very high97.3Very high87 Ų8760.7 Ų60.741%0.40729%0.289SS..Hα-helixtrans-64.6-38177.4-71.6174.2-175.200112.4K103 T104 Q105 R111K103-E107 WeakPolarHBondContact CE-OE1 3.45Å; K103-E107 WeakPolarHBondContact O-CG 3.45Å; K103-E107 PolarHBondContact O-N 3.18Å; T104-E107 PolarHBondContact O-N 3.35Å; Q105-E107 VanDerWaalsContact C-N 3.34Å; Q105-E107 PolarHBondContact O-N 2.93Å; E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-N 2.86Å; E107-R111 PolarHBondContact O-NE 2.82Å
108N96.9Very high97.3Very high78 Ų7861.6 Ų61.642%0.41730%0.296SS..Hα-helixtrans-69.7-42.4176.3-72.9-17000112.1T104 Q105 V106 R111 S112T104-N108 WeakPolarHBondContact O-CB 3.48Å; T104-N108 PolarHBondContact O-N 3.2Å; T104-N108 PolarHBondContact O-ND2 3.05Å; Q105-N108 PolarHBondContact O-N 3.11Å; Q105-N108 VanDerWaalsContact O-N 3.17Å; V106-N108 PolarHBondContact O-N 3.42Å; N108-R111 PolarHBondContact O-N 2.9Å; N108-R111 PolarHBondContact OD1-NH2 3.45Å; N108-S112 WeakPolarHBondContact O-CB 3.47Å; N108-S112 PolarHBondContact O-N 3.28Å
109E96.2Very high97.2Very high22 Ų2266.3 Ų66.310%0.10332%0.317CS..Hα-helixtrans-63.8-44.8178.9-74.7173-172.800111.5V25 Q105 V106 R111 S112 L113 R223V25-E109 HydrophobicContact CG1-CB 4.32Å; V25-E109 HydrophobicContact CG2-CB 3.81Å; Q105-E109 HydrophobicContact CG-CG 4.32Å; Q105-E109 WeakPolarHBondContact CG-OE1 3.39Å; Q105-E109 PolarHBondContact NE2-OE1 2.86Å; Q105-E109 WeakPolarHBondContact O-CB 3.24Å; Q105-E109 VanDerWaalsContact O-CG 3.3Å; Q105-E109 WeakPolarHBondContact O-CG 3.38Å; Q105-E109 PolarHBondContact O-N 3.3Å; V106-E109 PolarHBondContact O-N 3.43Å; E109-R111 VanDerWaalsContact C-N 3.34Å; E109-R111 PolarHBondContact O-N 2.9Å; E109-S112 PolarHBondContact O-N 3.5Å; E109-S112 VanDerWaalsContact O-N 3.16Å; E109-L113 WeakPolarHBondContact O-CG 3.2Å; E109-L113 PolarHBondContact O-N 2.93Å; E109-R223 VanDerWaalsContact OE1-CB 3.28Å; E109-R223 WeakPolarHBondContact OE1-CB 3.39Å; E109-R223 WeakPolarHBondContact OE1-CG 3.32Å; E109-R223 WeakPolarHBondContact OE2-CD 3.25Å
110K97.1Very high97.1Very high99 Ų9967.4 Ų67.443%0.4332%0.321SS..Hα-helixtrans-57.5-45.6174.7-73.4179.7-179.9-178.60112V25 E29 V106 E114V25-K110 HydrophobicContact CG1-CG 3.91Å; E29-K110 WeakPolarHBondContact OE2-CE 3.49Å; E29-K110 IonicContact OE2-NZ 4Å; E29-K110 PolarHBondContact OE2-NZ 3.41Å; V106-K110 HydrophobicContact CG1-CD 4.27Å; V106-K110 WeakPolarHBondContact O-CG 3.36Å; V106-K110 PolarHBondContact O-N 3.26Å; K110-E114 PolarHBondContact O-N 3.43Å
111R96.9Very high97.1Very high134 Ų13467.6 Ų67.651%0.50633%0.328SS..Hα-helixtrans-66.3-37.1176.5-72.6-175.3-71.1-159.1-0.8112.6E107 N108 E109 K115E107-R111 WeakPolarHBondContact O-CG 3.46Å; E107-R111 PolarHBondContact O-N 2.86Å; E107-R111 PolarHBondContact O-NE 2.82Å; N108-R111 PolarHBondContact O-N 2.9Å; N108-R111 PolarHBondContact OD1-NH2 3.45Å; E109-R111 VanDerWaalsContact C-N 3.34Å; E109-R111 PolarHBondContact O-N 2.9Å; R111-K115 WeakPolarHBondContact O-CG 3.35Å; R111-K115 PolarHBondContact O-N 3.43Å
112S95.9Very high97Very high41 Ų4172.5 Ų72.529%0.28735%0.346SS..Hα-helixtrans-65.9-45.5177.7-164.60000111.3N108 E109 E114 K115 Q116N108-S112 WeakPolarHBondContact O-CB 3.47Å; N108-S112 PolarHBondContact O-N 3.28Å; E109-S112 PolarHBondContact O-N 3.5Å; E109-S112 VanDerWaalsContact O-N 3.16Å; S112-E114 VanDerWaalsContact C-N 3.32Å; S112-E114 PolarHBondContact O-N 3.04Å; S112-K115 WeakPolarHBondContact O-CB 3.28Å; S112-K115 PolarHBondContact O-N 3.23Å; S112-K115 VanDerWaalsContact O-N 3.14Å; S112-Q116 WeakPolarHBondContact O-CG 3.41Å; S112-Q116 PolarHBondContact O-N 2.86Å
113L96.2Very high96.8Very high19 Ų1973.5 Ų73.510%0.09935%0.351CS..Hα-helixtrans-61.6-38.6177.4-75.9173.5000112.6E21 I22 V25 E109 Q116 R117E21-L113 HydrophobicContact CB-CD1 4.33Å; E21-L113 HydrophobicContact CB-CD2 3.59Å; E21-L113 HydrophobicContact CG-CD2 4.25Å; I22-L113 HydrophobicContact CG1-CD1 4.47Å; V25-L113 HydrophobicContact CB-CD1 4.39Å; V25-L113 HydrophobicContact CG2-CD1 3.57Å; E109-L113 WeakPolarHBondContact O-CG 3.2Å; E109-L113 PolarHBondContact O-N 2.93Å; L113-Q116 PolarHBondContact O-N 3.16Å; L113-R117 WeakPolarHBondContact O-CB 3.33Å; L113-R117 PolarHBondContact O-N 3.2Å
114E96.5Very high96.6Very high145 Ų14571.4 Ų71.468%0.67835%0.345SS*.Hα-helixtrans-64.1-40.8175-172.2171.8-162.600112K110 S112 R117 S118K110-E114 PolarHBondContact O-N 3.43Å; S112-E114 VanDerWaalsContact C-N 3.32Å; S112-E114 PolarHBondContact O-N 3.04Å; E114-R117 PolarHBondContact O-N 2.68Å; E114-S118 PolarHBondContact O-N 2.89Å
115K96.7Very high96.6Very high157 Ų15770.7 Ų70.768%0.68335%0.346SS*.Hα-helixtrans-64-44.8173.9-70.8174.8-178.6-1790111.9R111 S112 R117 S118 H119R111-K115 WeakPolarHBondContact O-CG 3.35Å; R111-K115 PolarHBondContact O-N 3.43Å; S112-K115 WeakPolarHBondContact O-CB 3.28Å; S112-K115 PolarHBondContact O-N 3.23Å; S112-K115 VanDerWaalsContact O-N 3.14Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 3.05Å; K115-S118 PolarHBondContact O-N 3.02Å; K115-H119 PolarHBondContact O-N 3.02Å
116Q96.4Very high96.5Very high24 Ų2474.2 Ų74.211%0.11237%0.369CS..Hα-helixtrans-61.1-42.2176.4-74.4172.2-31.700111.2F18 S112 L113 S118 H119 W120 F212F18-Q116 HydrophobicContact CE1-CB 4.18Å; S112-Q116 WeakPolarHBondContact O-CG 3.41Å; S112-Q116 PolarHBondContact O-N 2.86Å; L113-Q116 PolarHBondContact O-N 3.16Å; Q116-S118 PolarHBondContact O-N 3.47Å; Q116-H119 PolarHBondContact O-N 3.14Å; Q116-W120 PolarHBondContact O-N 3.29Å; Q116-F212 HydrophobicContact CB-CE2 4.38Å; Q116-F212 HydrophobicContact CB-CZ 4.33Å; Q116-F212 WeakPolarHBondContact O-CE2 3.48Å
117R96.6Very high96.4Very high134 Ų13474.8 Ų74.851%0.50637%0.371SS..Hα-helixtrans-60.9-41.9174.1-178175-74.6-172.5-5.6112.6F18 L113 E114 K115 W120 S121F18-R117 HydrophobicContact CE1-CB 4.01Å; F18-R117 HydrophobicContact CZ-CB 4.1Å; L113-R117 WeakPolarHBondContact O-CB 3.33Å; L113-R117 PolarHBondContact O-N 3.2Å; E114-R117 PolarHBondContact O-N 2.68Å; K115-R117 VanDerWaalsContact C-N 3.34Å; K115-R117 PolarHBondContact O-N 3.05Å; R117-W120 PolarHBondContact O-N 3.37Å; R117-S121 PolarHBondContact O-N 3.42Å
118S96.8Very high96.3Very high57 Ų5773.3 Ų73.340%0.39936%0.364SS..Hα-helixtrans-64-40.7174.3-174.10000112E114 K115 Q116 S121 K122E114-S118 PolarHBondContact O-N 2.89Å; K115-S118 PolarHBondContact O-N 3.02Å; Q116-S118 PolarHBondContact O-N 3.47Å; S118-S121 PolarHBondContact O-N 3.5Å; S118-K122 WeakPolarHBondContact O-CG 3.34Å; S118-K122 PolarHBondContact O-N 3.19Å; S118-K122 VanDerWaalsContact O-N 3.11Å
119H96.6Very high96.2Very high98 Ų9875.6 Ų75.645%0.45437%0.373SS..Hα-helixtrans-63.4-46.3177.2-175.6-153.1000111.7K115 Q116 S121 K122 L123 F212K115-H119 PolarHBondContact O-N 3.02Å; Q116-H119 PolarHBondContact O-N 3.14Å; H119-S121 PolarHBondContact O-N 2.9Å; H119-K122 PolarHBondContact O-N 2.93Å; H119-L123 PolarHBondContact O-N 3.23Å; H119-F212 HydrophobicContact CB-CE2 4.21Å; H119-F212 AromaticContact ND1-CD2 3.51Å; H119-F212 AromaticContact ND1-CE2 3.88Å
120W97.1Very high96.2Very high27 Ų2775.8 Ų75.810%0.10238%0.376CS..Hα-helixtrans-56.4-47174.2175.3-120.5000112.6V14 E15 F18 Q116 R117 K122 L123 N124 I209 F212V14-W120 HydrophobicContact CB-CD2 4.36Å; V14-W120 HydrophobicContact CB-CE3 4.47Å; V14-W120 HydrophobicContact CB-CH2 3.79Å; V14-W120 HydrophobicContact CB-CZ2 3.61Å; V14-W120 HydrophobicContact CB-CZ3 4.21Å; V14-W120 HydrophobicContact CG1-CD2 3.64Å; V14-W120 HydrophobicContact CG1-CE3 3.89Å; V14-W120 HydrophobicContact CG1-CG 4.15Å; V14-W120 HydrophobicContact CG1-CH2 4.11Å; V14-W120 HydrophobicContact CG1-CZ2 3.83Å; V14-W120 HydrophobicContact CG1-CZ3 4.12Å; V14-W120 HydrophobicContact CG2-CE3 4.39Å; V14-W120 HydrophobicContact CG2-CH2 3.59Å; V14-W120 HydrophobicContact CG2-CZ2 3.98Å; V14-W120 HydrophobicContact CG2-CZ3 3.81Å; E15-W120 PolarHBondContact OE1-NE1 3.27Å; F18-W120 HydrophobicContact CE2-CB 3.96Å; F18-W120 AromaticContact CE2-CD1 3.65Å; F18-W120 AromaticContact CE2-CG 3.83Å; F18-W120 HydrophobicContact CE2-CG 3.83Å; F18-W120 HydrophobicContact CZ-CB 3.99Å; F18-W120 HydrophobicContact CZ-CG 4.36Å; Q116-W120 PolarHBondContact O-N 3.29Å; R117-W120 PolarHBondContact O-N 3.37Å; W120-K122 VanDerWaalsContact C-N 3.31Å; W120-K122 PolarHBondContact O-N 3Å; W120-L123 HydrophobicContact CE3-CD2 4.32Å; W120-L123 HydrophobicContact CZ3-CD2 4.36Å; W120-L123 PolarHBondContact O-N 3.43Å; W120-N124 WeakPolarHBondContact CZ2-ND2 3.39Å; W120-N124 PolarHBondContact NE1-ND2 3.39Å; W120-N124 PolarHBondContact O-N 3.41Å; W120-I209 HydrophobicContact CH2-CD1 4.43Å; W120-I209 HydrophobicContact CZ3-CD1 4.42Å; W120-I209 HydrophobicContact CZ3-CG1 4.16Å; W120-F212 HydrophobicContact CB-CE1 4.31Å; W120-F212 HydrophobicContact CB-CE2 4.11Å; W120-F212 HydrophobicContact CB-CZ 3.78Å; W120-F212 HydrophobicContact CE3-CD1 4.14Å; W120-F212 HydrophobicContact CE3-CE1 4.17Å
121S96.7Very high96.1Very high77 Ų7777 Ų7754%0.53838%0.378SS..Hα-helixtrans-59.4-40.7177.8-1790000112.4R117 S118 H119 A125R117-S121 PolarHBondContact O-N 3.42Å; S118-S121 PolarHBondContact O-N 3.5Å; H119-S121 PolarHBondContact O-N 2.9Å; S121-A125 VanDerWaalsContact O-CB 3.27Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 2.69Å
122K96.8Very high96.1Very high135 Ų13576 Ų7659%0.58738%0.377SS*.Hα-helixtrans-67.7-40.8175.7-69.7173.3-174.9176.50112.4S118 H119 W120 A125 T126S118-K122 WeakPolarHBondContact O-CG 3.34Å; S118-K122 PolarHBondContact O-N 3.19Å; S118-K122 VanDerWaalsContact O-N 3.11Å; H119-K122 PolarHBondContact O-N 2.93Å; W120-K122 VanDerWaalsContact C-N 3.31Å; W120-K122 PolarHBondContact O-N 3Å; K122-A125 PolarHBondContact O-N 3.06Å; K122-T126 PolarHBondContact O-N 2.71Å; K122-T126 PolarHBondContact O-OG1 3.45Å
123L95.2Very high96.1Very high20 Ų2078.5 Ų78.511%0.10538%0.384CS..Hα-helixtrans-62.2-47.2179-175.262.5000110.7H119 W120 T126 I127 D208 I209 F212H119-L123 PolarHBondContact O-N 3.23Å; W120-L123 HydrophobicContact CE3-CD2 4.32Å; W120-L123 HydrophobicContact CZ3-CD2 4.36Å; W120-L123 PolarHBondContact O-N 3.43Å; L123-T126 WeakPolarHBondContact O-CB 3.49Å; L123-T126 PolarHBondContact O-N 3.01Å; L123-I127 PolarHBondContact O-N 3.49Å; L123-D208 HydrophobicContact CD1-CB 3.66Å; L123-D208 HydrophobicContact CD2-CB 4.21Å; L123-I209 HydrophobicContact CD2-CG1 4.25Å; L123-F212 HydrophobicContact CD2-CB 4.46Å
124N94.1Very high96.1Very high53 Ų5378.9 Ų78.928%0.28339%0.386SS..Hα-helixtrans-66.7-38.6175.6-79.3-12.2000113.3W120 T126 I127 E128W120-N124 WeakPolarHBondContact CZ2-ND2 3.39Å; W120-N124 PolarHBondContact NE1-ND2 3.39Å; W120-N124 PolarHBondContact O-N 3.41Å; N124-T126 PolarHBondContact O-N 2.88Å; N124-I127 VanDerWaalsContact O-CG2 3.23Å; N124-I127 WeakPolarHBondContact O-CG2 3.42Å; N124-I127 PolarHBondContact O-N 2.95Å; N124-E128 VanDerWaalsContact O-CB 3.24Å; N124-E128 WeakPolarHBondContact O-CB 3.42Å; N124-E128 PolarHBondContact O-N 2.94Å
125A96.5Very high96.1Very high54 Ų5476.8 Ų76.845%0.44638%0.377SS..Hα-helixtrans-61.4-33.7175.600000112.2S121 K122 Q129S121-A125 VanDerWaalsContact O-CB 3.27Å; S121-A125 WeakPolarHBondContact O-CB 3.43Å; S121-A125 PolarHBondContact O-N 2.69Å; K122-A125 PolarHBondContact O-N 3.06Å; A125-Q129 WeakPolarHBondContact O-CB 3.46Å; A125-Q129 PolarHBondContact O-N 2.84Å
126T95.8Very high96.1Very high91 Ų9173.2 Ų73.256%0.55836%0.364SS*.Hα-helixtrans-67.8-48.6-179.5-57.60000111.8K122 L123 N124 E128 Q129 S130K122-T126 PolarHBondContact O-N 2.71Å; K122-T126 PolarHBondContact O-OG1 3.45Å; L123-T126 WeakPolarHBondContact O-CB 3.49Å; L123-T126 PolarHBondContact O-N 3.01Å; N124-T126 PolarHBondContact O-N 2.88Å; T126-E128 VanDerWaalsContact C-N 3.33Å; T126-Q129 PolarHBondContact O-N 3.34Å; T126-S130 PolarHBondContact O-N 3.16Å; T126-S130 VanDerWaalsContact O-N 3.14Å
127I95Very high96.1Very high18 Ų1872.7 Ų72.79%0.09236%0.363CS..Hα-helixtrans-67.6-36.6177.3-171.960.4000111.4L123 N124 Q129 S130 R131 Y197 H204L123-I127 PolarHBondContact O-N 3.49Å; N124-I127 VanDerWaalsContact O-CG2 3.23Å; N124-I127 WeakPolarHBondContact O-CG2 3.42Å; N124-I127 PolarHBondContact O-N 2.95Å; I127-Q129 PolarHBondContact O-N 2.81Å; I127-S130 PolarHBondContact O-N 3.43Å; I127-R131 PolarHBondContact O-N 3.14Å; I127-Y197 HydrophobicContact CD1-CE2 4.07Å; I127-H204 HydrophobicContact CD1-CB 4.41Å
128E95.7Very high96Very high57 Ų5772.3 Ų72.327%0.26636%0.362SS..Hα-helixtrans-64.4-40176.7-177.955.6-151.800112N124 T126 R131 K132N124-E128 VanDerWaalsContact O-CB 3.24Å; N124-E128 WeakPolarHBondContact O-CB 3.42Å; N124-E128 PolarHBondContact O-N 2.94Å; T126-E128 VanDerWaalsContact C-N 3.33Å; E128-R131 WeakPolarHBondContact O-CB 3.48Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-CZ 2.69Å; E128-R131 IonicContact OE1-NE 2.6Å; E128-R131 PolarHBondContact OE1-NE 3.34Å; E128-R131 IonicContact OE1-NH2 3.43Å; E128-R131 PolarHBondContact OE1-NH2 2.81Å; E128-R131 IonicContact OE2-CZ 2.79Å; E128-R131 IonicContact OE2-NE 3.95Å; E128-R131 PolarHBondContact OE2-NE 2.81Å; E128-R131 IonicContact OE2-NH1 3.72Å; E128-R131 IonicContact OE2-NH2 3Å; E128-R131 PolarHBondContact OE2-NH2 2.72Å; E128-K132 WeakPolarHBondContact O-CG 3.42Å; E128-K132 PolarHBondContact O-N 2.84Å; E128-K132 VanDerWaalsContact OE1-CE 3.29Å; E128-K132 WeakPolarHBondContact OE1-CE 3.34Å
129Q96.4Very high96Very high126 Ų12673.6 Ų73.659%0.58936%0.362SS*.Hα-helixtrans-63.3-42.8174-177.11770.800111.4A125 T126 I127 R131 K132 Q133A125-Q129 WeakPolarHBondContact O-CB 3.46Å; A125-Q129 PolarHBondContact O-N 2.84Å; T126-Q129 PolarHBondContact O-N 3.34Å; I127-Q129 PolarHBondContact O-N 2.81Å; Q129-R131 VanDerWaalsContact C-N 3.34Å; Q129-K132 PolarHBondContact O-N 2.84Å; Q129-Q133 WeakPolarHBondContact O-CG 3.31Å; Q129-Q133 PolarHBondContact O-N 2.77Å; Q129-Q133 VanDerWaalsContact O-N 3.1Å
130S94.3Very high96Very high25 Ų2575.4 Ų75.418%0.17537%0.368CS..Hα-helixtrans-63.2-40.3176-174.20000111.8T126 I127 Q133 L134T126-S130 PolarHBondContact O-N 3.16Å; T126-S130 VanDerWaalsContact O-N 3.14Å; I127-S130 PolarHBondContact O-N 3.43Å; S130-Q133 PolarHBondContact O-N 3.02Å; S130-L134 PolarHBondContact O-N 3.46Å; S130-L134 VanDerWaalsContact O-N 3.16Å
131R96.3Very high95.9Very high126 Ų12677.4 Ų77.448%0.47538%0.376SS..Hα-helixtrans-58.9-46.9173.8-172.9176.973.6157.44.5112.1I127 E128 Q129 Q133 L134 E135 Y197I127-R131 PolarHBondContact O-N 3.14Å; E128-R131 WeakPolarHBondContact O-CB 3.48Å; E128-R131 PolarHBondContact O-N 2.99Å; E128-R131 IonicContact OE1-CZ 2.69Å; E128-R131 IonicContact OE1-NE 2.6Å; E128-R131 PolarHBondContact OE1-NE 3.34Å; E128-R131 IonicContact OE1-NH2 3.43Å; E128-R131 PolarHBondContact OE1-NH2 2.81Å; E128-R131 IonicContact OE2-CZ 2.79Å; E128-R131 IonicContact OE2-NE 3.95Å; E128-R131 PolarHBondContact OE2-NE 2.81Å; E128-R131 IonicContact OE2-NH1 3.72Å; E128-R131 IonicContact OE2-NH2 3Å; E128-R131 PolarHBondContact OE2-NH2 2.72Å; Q129-R131 VanDerWaalsContact C-N 3.34Å; R131-Q133 VanDerWaalsContact C-N 3.33Å; R131-Q133 PolarHBondContact O-N 3.49Å; R131-L134 PolarHBondContact O-N 3.48Å; R131-E135 PolarHBondContact O-N 2.96Å; R131-Y197 HydrophobicContact CB-CE2 3.96Å; R131-Y197 HydrophobicContact CG-CE2 4.46Å
132K96.4Very high95.9Very high113 Ų11375.7 Ų75.749%0.49136%0.362SS..Hα-helixtrans-61.8-37.9177.6-73.1175-178.5176.20112.8E128 Q129 E135 L136E128-K132 WeakPolarHBondContact O-CG 3.42Å; E128-K132 PolarHBondContact O-N 2.84Å; E128-K132 VanDerWaalsContact OE1-CE 3.29Å; E128-K132 WeakPolarHBondContact OE1-CE 3.34Å; Q129-K132 PolarHBondContact O-N 2.84Å; K132-E135 PolarHBondContact O-N 2.97Å; K132-L136 VanDerWaalsContact O-CG 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.44Å; K132-L136 PolarHBondContact O-N 3.44Å
133Q95.4Very high95.9Very high93 Ų9372.5 Ų72.544%0.43536%0.355SS..Hα-helixtrans-65-42176.5-69.7-60.1-31.900112.1Q129 S130 R131 E135 L136 S137Q129-Q133 WeakPolarHBondContact O-CG 3.31Å; Q129-Q133 PolarHBondContact O-N 2.77Å; Q129-Q133 VanDerWaalsContact O-N 3.1Å; S130-Q133 PolarHBondContact O-N 3.02Å; R131-Q133 VanDerWaalsContact C-N 3.33Å; R131-Q133 PolarHBondContact O-N 3.49Å; Q133-E135 VanDerWaalsContact C-N 3.35Å; Q133-L136 PolarHBondContact O-N 3.07Å; Q133-S137 PolarHBondContact O-N 2.99Å
134L96.4Very high95.9Very high26 Ų2673.2 Ų73.214%0.13636%0.358CS..Hα-helixtrans-62.9-41.2174.4-179.860.9000111.8S130 R131 S137 W138 Y190 E193 L194 Y197S130-L134 PolarHBondContact O-N 3.46Å; S130-L134 VanDerWaalsContact O-N 3.16Å; R131-L134 PolarHBondContact O-N 3.48Å; L134-S137 PolarHBondContact O-N 3.4Å; L134-S137 PolarHBondContact O-OG 3.12Å; L134-W138 WeakPolarHBondContact O-CB 3.19Å; L134-W138 PolarHBondContact O-N 3.34Å; L134-Y190 HydrophobicContact CD1-CD2 4.01Å; L134-Y190 HydrophobicContact CD1-CE2 3.74Å; L134-E193 HydrophobicContact CD1-CB 4.3Å; L134-L194 HydrophobicContact CD1-CB 3.96Å; L134-L194 HydrophobicContact CD1-CD1 4.19Å; L134-L194 HydrophobicContact CD2-CD1 4Å; L134-Y197 HydrophobicContact CD2-CD1 3.56Å; L134-Y197 HydrophobicContact CD2-CD2 4.41Å; L134-Y197 HydrophobicContact CD2-CE1 4.17Å; L134-Y197 HydrophobicContact CD2-CG 3.69Å
135E96.8Very high96Very high102 Ų10275 Ų7548%0.47736%0.364SS..Hα-helixtrans-63-42.4176.9-170.4173.3-171.700111.9R131 K132 Q133 S137 W138 Q139R131-E135 PolarHBondContact O-N 2.96Å; K132-E135 PolarHBondContact O-N 2.97Å; Q133-E135 VanDerWaalsContact C-N 3.35Å; E135-S137 PolarHBondContact O-N 2.86Å; E135-W138 PolarHBondContact O-N 2.99Å; E135-Q139 WeakPolarHBondContact O-CG 3.4Å; E135-Q139 PolarHBondContact O-N 3.4Å
136L96.9Very high96Very high81 Ų8178.9 Ų78.942%0.42437%0.371SS..Hα-helixtrans-64-39.3175.3-71.2171.9000112.6K132 Q133 Q139 K140K132-L136 VanDerWaalsContact O-CG 3.31Å; K132-L136 WeakPolarHBondContact O-CG 3.44Å; K132-L136 PolarHBondContact O-N 3.44Å; Q133-L136 PolarHBondContact O-N 3.07Å; L136-Q139 PolarHBondContact O-N 2.89Å; L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.19Å; L136-K140 VanDerWaalsContact O-N 3.16Å
137S95.6Very high96Very high13 Ų1378 Ų789%0.09136%0.36CS..Hα-helixtrans-69.5-38.1177.473.30000111.6Q133 L134 E135 K140 Y141Q133-S137 PolarHBondContact O-N 2.99Å; L134-S137 PolarHBondContact O-N 3.4Å; L134-S137 PolarHBondContact O-OG 3.12Å; E135-S137 PolarHBondContact O-N 2.86Å; S137-K140 PolarHBondContact O-N 3.38Å; S137-Y141 WeakPolarHBondContact O-CB 3.33Å; S137-Y141 PolarHBondContact O-N 3.2Å
138W96Very high96Very high126 Ų12679.2 Ų79.248%0.47737%0.365SS..Hα-helixtrans-60.8-45.8171.2172.493.2000112.1L134 E135 K140 Y141 V142 Y190L134-W138 WeakPolarHBondContact O-CB 3.19Å; L134-W138 PolarHBondContact O-N 3.34Å; E135-W138 PolarHBondContact O-N 2.99Å; W138-K140 VanDerWaalsContact C-N 3.32Å; W138-K140 PolarHBondContact O-N 3.45Å; W138-Y141 WeakPolarHBondContact O-CB 3.42Å; W138-Y141 PolarHBondContact O-N 3.16Å; W138-Y141 VanDerWaalsContact O-N 3.17Å; W138-V142 HydrophobicContact CD2-CG2 4.1Å; W138-V142 HydrophobicContact CH2-CG2 4.25Å; W138-V142 HydrophobicContact CZ2-CG2 3.72Å; W138-V142 WeakPolarHBondContact O-CG2 3.35Å; W138-V142 PolarHBondContact O-N 3.49Å; W138-Y190 HydrophobicContact CB-CD2 4.2Å; W138-Y190 HydrophobicContact CB-CE2 4.06Å
139Q96.7Very high96Very high85 Ų8581 Ų8140%0.39737%0.373SS..Hα-helixtrans-59.3-42.9178.2-75176.43.800111.6E135 L136 T143E135-Q139 WeakPolarHBondContact O-CG 3.4Å; E135-Q139 PolarHBondContact O-N 3.4Å; L136-Q139 PolarHBondContact O-N 2.89Å; Q139-T143 WeakPolarHBondContact O-CB 3.37Å; Q139-T143 PolarHBondContact O-N 3.37Å; Q139-T143 PolarHBondContact O-OG1 3.38Å
140K96.3Very high95.9Very high136 Ų13682.1 Ų82.159%0.59138%0.376SS*.Hα-helixtrans-64.6-42.7175.7-72.5175.7-178.1177.20112L136 S137 W138 T143 N144L136-K140 WeakPolarHBondContact O-CG 3.44Å; L136-K140 PolarHBondContact O-N 3.19Å; L136-K140 VanDerWaalsContact O-N 3.16Å; S137-K140 PolarHBondContact O-N 3.38Å; W138-K140 VanDerWaalsContact C-N 3.32Å; W138-K140 PolarHBondContact O-N 3.45Å; K140-T143 PolarHBondContact O-N 3.07Å; K140-N144 WeakPolarHBondContact O-CB 3.35Å; K140-N144 PolarHBondContact O-N 3.38Å; K140-N144 PolarHBondContact O-OD1 2.88Å
141Y95.6Very high95.9Very high68 Ų6881.3 Ų81.327%0.26737%0.371SS..Hα-helixtrans-59.6-48.2176.9176.5-113.5000112S137 W138 T143 N144 F145 F183S137-Y141 WeakPolarHBondContact O-CB 3.33Å; S137-Y141 PolarHBondContact O-N 3.2Å; W138-Y141 WeakPolarHBondContact O-CB 3.42Å; W138-Y141 PolarHBondContact O-N 3.16Å; W138-Y141 VanDerWaalsContact O-N 3.17Å; Y141-T143 PolarHBondContact O-N 3.49Å; Y141-N144 PolarHBondContact O-N 3.14Å; Y141-F145 WeakPolarHBondContact O-CB 3.07Å; Y141-F145 PolarHBondContact O-N 3.09Å; Y141-F183 HydrophobicContact CD2-CD2 4.38Å; Y141-F183 AromaticContact CD2-CE2 3.96Å; Y141-F183 HydrophobicContact CD2-CE2 3.96Å; Y141-F183 HydrophobicContact CE2-CD2 4.09Å; Y141-F183 AromaticContact CE2-CE2 3.29Å; Y141-F183 HydrophobicContact CE2-CE2 3.29Å; Y141-F183 AromaticContact CE2-CZ 3.64Å; Y141-F183 HydrophobicContact CE2-CZ 3.64Å; Y141-F183 AromaticContact CZ-CE2 3.79Å; Y141-F183 AromaticContact CZ-CZ 3.99Å
142V96.2Very high95.9Very high41 Ų4180.8 Ų80.825%0.24837%0.37CS..Hα-helixtrans-63.2-41.1176.71730000111.8W138 F145 K146W138-V142 HydrophobicContact CD2-CG2 4.1Å; W138-V142 HydrophobicContact CH2-CG2 4.25Å; W138-V142 HydrophobicContact CZ2-CG2 3.72Å; W138-V142 WeakPolarHBondContact O-CG2 3.35Å; W138-V142 PolarHBondContact O-N 3.49Å; V142-F145 PolarHBondContact O-N 2.94Å; V142-K146 WeakPolarHBondContact O-CG 3.28Å; V142-K146 PolarHBondContact O-N 2.96Å; V142-K146 VanDerWaalsContact O-N 3.1Å
143T96.4Very high95.8Very high69 Ų6978.9 Ų78.942%0.42336%0.363SS..Hα-helixtrans-63-49.7178.2-58.50000110.8Q139 K140 Y141 F145 K146 E147Q139-T143 WeakPolarHBondContact O-CB 3.37Å; Q139-T143 PolarHBondContact O-N 3.37Å; Q139-T143 PolarHBondContact O-OG1 3.38Å; K140-T143 PolarHBondContact O-N 3.07Å; Y141-T143 PolarHBondContact O-N 3.49Å; T143-F145 VanDerWaalsContact C-N 3.27Å; T143-F145 PolarHBondContact O-N 3.29Å; T143-K146 PolarHBondContact O-N 3.06Å; T143-K146 VanDerWaalsContact O-N 3.15Å; T143-E147 WeakPolarHBondContact O-CG 3.11Å; T143-E147 PolarHBondContact O-N 3.43Å
144N95.5Very high95.7Very high34 Ų3476.4 Ų76.418%0.18235%0.354CS..Hα-helixtrans-65.3-31.5179.8-71.57.7000112.3K140 Y141 K148 S182 F183 A186K140-N144 WeakPolarHBondContact O-CB 3.35Å; K140-N144 PolarHBondContact O-N 3.38Å; K140-N144 PolarHBondContact O-OD1 2.88Å; Y141-N144 PolarHBondContact O-N 3.14Å; N144-K148 VanDerWaalsContact O-CB 3.27Å; N144-K148 WeakPolarHBondContact O-CB 3.3Å; N144-K148 PolarHBondContact O-N 2.9Å; N144-S182 PolarHBondContact ND2-O 3.43Å; N144-F183 HydrophobicContact CB-CB 4.35Å; N144-A186 HydrophobicContact CB-CB 4.21Å; N144-A186 WeakPolarHBondContact ND2-CB 3.44Å
145F96Very high95.4Very high92 Ų9275.3 Ų75.340%0.40435%0.348SS..Hα-helixtrans-62.9-47.7172.1178.8-102.8000112Y141 V142 T143 E147 K148 Q149 F183Y141-F145 WeakPolarHBondContact O-CB 3.07Å; Y141-F145 PolarHBondContact O-N 3.09Å; V142-F145 PolarHBondContact O-N 2.94Å; T143-F145 VanDerWaalsContact C-N 3.27Å; T143-F145 PolarHBondContact O-N 3.29Å; F145-E147 PolarHBondContact O-N 2.91Å; F145-K148 WeakPolarHBondContact O-CB 3.43Å; F145-K148 PolarHBondContact O-N 3.35Å; F145-Q149 PolarHBondContact O-N 2.74Å; F145-F183 HydrophobicContact CB-CD2 3.93Å; F145-F183 HydrophobicContact CB-CE2 3.78Å; F145-F183 HydrophobicContact CD2-CD2 4.31Å; F145-F183 AromaticContact CD2-CE2 3.69Å; F145-F183 HydrophobicContact CD2-CE2 3.69Å; F145-F183 HydrophobicContact CD2-CZ 4.13Å; F145-F183 HydrophobicContact CG-CE2 4.21Å
146K96.4Very high95.1Very high135 Ų13574.6 Ų74.659%0.58735%0.345SS*.Hα-helixtrans-62.6-41.4176.9-70.8179179.6-178.80111.9V142 T143 Q149 K150V142-K146 WeakPolarHBondContact O-CG 3.28Å; V142-K146 PolarHBondContact O-N 2.96Å; V142-K146 VanDerWaalsContact O-N 3.1Å; T143-K146 PolarHBondContact O-N 3.06Å; T143-K146 VanDerWaalsContact O-N 3.15Å; K146-Q149 PolarHBondContact O-N 3.38Å; K146-K150 WeakPolarHBondContact O-CB 3.46Å; K146-K150 PolarHBondContact O-N 2.96Å
147E95.2Very high94.9Very high73 Ų7377.9 Ų77.934%0.34135%0.352SS..Hα-helixtrans-65.4-40.2176.3-69.5-173.6165.300112.5T143 F145 K150 A151 K179T143-E147 WeakPolarHBondContact O-CG 3.11Å; T143-E147 PolarHBondContact O-N 3.43Å; F145-E147 PolarHBondContact O-N 2.91Å; E147-K150 PolarHBondContact O-N 3.35Å; E147-A151 WeakPolarHBondContact O-CB 3.42Å; E147-A151 PolarHBondContact O-N 3.44Å; E147-K179 HydrophobicContact CB-CD 4.1Å; E147-K179 IonicContact OE2-NZ 3.52Å; E147-K179 PolarHBondContact OE2-NZ 3.37Å
148K95.5Very high94.6Very high42 Ų4277.6 Ų77.618%0.18335%0.35CS..Hα-helixtrans-60.9-46.4173-175.8-171.674.4177.20111.3N144 F145 A151 Y152 Y176 K179 V180 F183N144-K148 VanDerWaalsContact O-CB 3.27Å; N144-K148 WeakPolarHBondContact O-CB 3.3Å; N144-K148 PolarHBondContact O-N 2.9Å; F145-K148 WeakPolarHBondContact O-CB 3.43Å; F145-K148 PolarHBondContact O-N 3.35Å; K148-A151 PolarHBondContact O-N 3.05Å; K148-Y152 WeakPolarHBondContact O-CB 3.43Å; K148-Y152 PolarHBondContact O-N 3.33Å; K148-Y176 HydrophobicContact CG-CE2 4.04Å; K148-K179 HydrophobicContact CB-CB 4.34Å; K148-V180 HydrophobicContact CD-CG2 4.17Å; K148-V180 HydrophobicContact CG-CG2 4.19Å; K148-F183 HydrophobicContact CB-CB 4.43Å; K148-F183 HydrophobicContact CD-CB 4.02Å; K148-F183 HydrophobicContact CD-CD1 3.96Å; K148-F183 HydrophobicContact CD-CG 3.95Å; K148-F183 VanDerWaalsContact NZ-CE1 3.28Å
149Q95.3Very high94.1Very high94 Ų9476.7 Ų76.744%0.43935%0.351SS..Hα-helixtrans-61.1-46.3178.2-173.3175.511.800111.4F145 K146 A151 Y152 E153F145-Q149 PolarHBondContact O-N 2.74Å; K146-Q149 PolarHBondContact O-N 3.38Å; Q149-A151 VanDerWaalsContact C-N 3.35Å; Q149-A151 PolarHBondContact O-N 3Å; Q149-Y152 WeakPolarHBondContact O-CB 3.39Å; Q149-Y152 PolarHBondContact O-N 2.7Å; Q149-E153 WeakPolarHBondContact O-CG 3.45Å; Q149-E153 PolarHBondContact O-N 2.9Å; Q149-E153 VanDerWaalsContact O-N 3.08Å
150K95.5Very high93.7Very high150 Ų15078.3 Ų78.365%0.65236%0.363SS*.Hα-helixtrans-61.3-41.6175.9-173.8178.5179.4-179.40112.3K146 E147 V154K146-K150 WeakPolarHBondContact O-CB 3.46Å; K146-K150 PolarHBondContact O-N 2.96Å; E147-K150 PolarHBondContact O-N 3.35Å; K150-V154 VanDerWaalsContact O-CG2 3.31Å; K150-V154 WeakPolarHBondContact O-CG2 3.13Å; K150-V154 PolarHBondContact O-N 3.29Å
151A94.5Very high93.3Very high9 Ų975 Ų757%0.07435%0.352CS..Hα-helixtrans-68.8-34.717800000112.5E147 K148 Q149 V154 S155 Y176 K179E147-A151 WeakPolarHBondContact O-CB 3.42Å; E147-A151 PolarHBondContact O-N 3.44Å; K148-A151 PolarHBondContact O-N 3.05Å; Q149-A151 VanDerWaalsContact C-N 3.35Å; Q149-A151 PolarHBondContact O-N 3Å; A151-V154 PolarHBondContact O-N 3.04Å; A151-S155 WeakPolarHBondContact O-CB 3.39Å; A151-S155 PolarHBondContact O-N 3.45Å; A151-Y176 HydrophobicContact CB-CD2 4.36Å; A151-K179 HydrophobicContact CB-CB 4.18Å; A151-K179 HydrophobicContact CB-CG 3.9Å
152Y94.9Very high92.4Very high115 Ų11579.8 Ų79.845%0.45138%0.38SS..Hα-helixtrans-61.2-51.7173.5176.9-103000111.3K148 Q149 V154 S155 E156 Y176K148-Y152 WeakPolarHBondContact O-CB 3.43Å; K148-Y152 PolarHBondContact O-N 3.33Å; Q149-Y152 WeakPolarHBondContact O-CB 3.39Å; Q149-Y152 PolarHBondContact O-N 2.7Å; Y152-V154 VanDerWaalsContact C-N 3.26Å; Y152-V154 PolarHBondContact O-N 3.5Å; Y152-S155 PolarHBondContact O-N 2.85Å; Y152-S155 VanDerWaalsContact O-N 3.15Å; Y152-E156 WeakPolarHBondContact O-CB 3.46Å; Y152-E156 PolarHBondContact O-N 3.35Å; Y152-Y176 HydrophobicContact CD2-CD2 4.5Å; Y152-Y176 HydrophobicContact CD2-CE1 4.38Å; Y152-Y176 AromaticContact CD2-CE2 3.9Å; Y152-Y176 HydrophobicContact CD2-CE2 3.9Å; Y152-Y176 AromaticContact CD2-CZ 3.82Å; Y152-Y176 HydrophobicContact CG-CE2 4.25Å
153E94.2Very high91.8Very high72 Ų7286.6 Ų86.634%0.33641%0.409SS..Hα-helixtrans-58.6-37.9178.1-69.6174.3-161.500112.5Q149 R157Q149-E153 WeakPolarHBondContact O-CG 3.45Å; Q149-E153 PolarHBondContact O-N 2.9Å; Q149-E153 VanDerWaalsContact O-N 3.08Å; E153-R157 WeakPolarHBondContact O-CB 3.34Å; E153-R157 VanDerWaalsContact O-CG 3.22Å; E153-R157 WeakPolarHBondContact O-CG 3.44Å; E153-R157 PolarHBondContact O-N 3.29Å; E153-R157 IonicContact OE2-CZ 3.94Å; E153-R157 IonicContact OE2-NH2 2.86Å; E153-R157 PolarHBondContact OE2-NH2 3.03Å
154V93.3Very high91.1Very high42 Ų4285.4 Ų85.426%0.25540%0.4SS..Hα-helixtrans-70.7-42.4177.3173.10000111.2K150 A151 Y152 R157 A158 F172K150-V154 VanDerWaalsContact O-CG2 3.31Å; K150-V154 WeakPolarHBondContact O-CG2 3.13Å; K150-V154 PolarHBondContact O-N 3.29Å; A151-V154 PolarHBondContact O-N 3.04Å; Y152-V154 VanDerWaalsContact C-N 3.26Å; Y152-V154 PolarHBondContact O-N 3.5Å; V154-R157 PolarHBondContact O-N 3.06Å; V154-A158 VanDerWaalsContact O-CB 3.31Å; V154-A158 WeakPolarHBondContact O-CB 3.21Å; V154-A158 PolarHBondContact O-N 2.79Å; V154-F172 HydrophobicContact CG1-CD1 3.36Å; V154-F172 HydrophobicContact CG1-CE1 3.57Å; V154-F172 HydrophobicContact CG1-CG 4.04Å; V154-F172 HydrophobicContact CG1-CZ 4.38Å
155S90.7Very high90.6Very high2 Ų286.3 Ų86.31%0.01441%0.412CS..Hα-helixtrans-63.1-44.3175.8-169.10000111.2A151 Y152 A158 Q159 E173A151-S155 WeakPolarHBondContact O-CB 3.39Å; A151-S155 PolarHBondContact O-N 3.45Å; Y152-S155 PolarHBondContact O-N 2.85Å; Y152-S155 VanDerWaalsContact O-N 3.15Å; S155-A158 PolarHBondContact O-N 2.84Å; S155-Q159 VanDerWaalsContact O-CG 3.28Å; S155-Q159 WeakPolarHBondContact O-CG 3.32Å; S155-Q159 PolarHBondContact O-N 3.06Å; S155-Q159 PolarHBondContact OG-NE2 2.85Å; S155-E173 PolarHBondContact OG-OE2 3.3Å
156E91.3Very high90.1Very high87 Ų8791 Ų9141%0.40743%0.427SS..Hα-helixtrans-61.6-46.2177.7-175.7-178.3-153.300111.9Y152 A158 Q159 N160Y152-E156 WeakPolarHBondContact O-CB 3.46Å; Y152-E156 PolarHBondContact O-N 3.35Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.34Å; E156-Q159 PolarHBondContact O-N 3.13Å; E156-N160 PolarHBondContact O-N 3.2Å; E156-N160 VanDerWaalsContact O-N 3.13Å; E156-N160 PolarHBondContact O-ND2 3.27Å
157R91.5Very high89.7Confident150 Ų15088.9 Ų88.957%0.56643%0.425SS*.Hα-helixtrans-60.6-42.2174.4-72.8177.7-149.8129.36111.9E153 V154 N160 D161E153-R157 WeakPolarHBondContact O-CB 3.34Å; E153-R157 VanDerWaalsContact O-CG 3.22Å; E153-R157 WeakPolarHBondContact O-CG 3.44Å; E153-R157 PolarHBondContact O-N 3.29Å; E153-R157 IonicContact OE2-CZ 3.94Å; E153-R157 IonicContact OE2-NH2 2.86Å; E153-R157 PolarHBondContact OE2-NH2 3.03Å; V154-R157 PolarHBondContact O-N 3.06Å; R157-N160 PolarHBondContact O-N 3.38Å; R157-D161 PolarHBondContact O-N 2.97Å
158A89.7Confident89.4Confident7 Ų788 Ų886%0.05842%0.423CS..Hα-helixtrans-65.9-38.5179.100000112.9V154 S155 E156 N160 D161 L164 Q169 F172V154-A158 VanDerWaalsContact O-CB 3.31Å; V154-A158 WeakPolarHBondContact O-CB 3.21Å; V154-A158 PolarHBondContact O-N 2.79Å; S155-A158 PolarHBondContact O-N 2.84Å; E156-A158 VanDerWaalsContact C-N 3.33Å; E156-A158 PolarHBondContact O-N 3.34Å; A158-N160 VanDerWaalsContact C-N 3.32Å; A158-D161 PolarHBondContact O-N 2.91Å; A158-L164 HydrophobicContact CB-CD2 3.49Å; A158-L164 VanDerWaalsContact CB-CD2 3.49Å; A158-Q169 WeakPolarHBondContact O-CG 3.33Å; A158-Q169 PolarHBondContact O-NE2 2.93Å; A158-F172 HydrophobicContact CB-CB 4.04Å; A158-F172 HydrophobicContact CB-CD2 3.38Å; A158-F172 HydrophobicContact CB-CE2 4.1Å; A158-F172 HydrophobicContact CB-CG 3.95Å
159Q86Confident89Confident108 Ų10888.5 Ų88.551%0.50543%0.426SS..Hα-helixtrans-68.6-31.3177-72.4175.820.200112.5S155 E156 E173S155-Q159 VanDerWaalsContact O-CG 3.28Å; S155-Q159 WeakPolarHBondContact O-CG 3.32Å; S155-Q159 PolarHBondContact O-N 3.06Å; S155-Q159 PolarHBondContact OG-NE2 2.85Å; E156-Q159 PolarHBondContact O-N 3.13Å; Q159-E173 PolarHBondContact NE2-OE2 3.38Å; Q159-E173 VanDerWaalsContact NE2-OE2 3.09Å
160N87.3Confident88.7Confident118 Ų11889.6 Ų89.663%0.63143%0.431SS*.Hα-helixtrans-82.4-11.8176.6-69.7-39.8000113.6E156 R157 A158 I162E156-N160 PolarHBondContact O-N 3.2Å; E156-N160 VanDerWaalsContact O-N 3.13Å; E156-N160 PolarHBondContact O-ND2 3.27Å; R157-N160 PolarHBondContact O-N 3.38Å; A158-N160 VanDerWaalsContact C-N 3.32Å; N160-I162 PolarHBondContact O-N 3.28Å
161D88Confident88.6Confident68 Ų6888.3 Ų88.336%0.36443%0.425SS..  trans-86107-179.8-170.6-7.9000111.4R157 A158 Q163 L164 Q169R157-D161 PolarHBondContact O-N 2.97Å; A158-D161 PolarHBondContact O-N 2.91Å; D161-Q163 PolarHBondContact O-N 2.72Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.49Å; D161-Q163 PolarHBondContact OD1-N 3.02Å; D161-L164 HydrophobicContact CB-CB 3.93Å; D161-L164 PolarHBondContact O-N 3.41Å; D161-Q169 PolarHBondContact O-NE2 3.17Å
162I77.2Confident88.5Confident168 Ų16891.2 Ų91.286%0.86244%0.437SS*.THydrogen-bonded Turntrans-66.2-24.2179.2-59.6171.6000111.6N160N160-I162 PolarHBondContact O-N 3.28Å
163Q83.7Confident88.4Confident184 Ų18488.5 Ų88.586%0.8643%0.428SS*.THydrogen-bonded Turntrans-88-15.2-177.9-59.3-171.2-3.800113.1D161D161-Q163 PolarHBondContact O-N 2.72Å; D161-Q163 WeakPolarHBondContact OD1-CB 3.49Å; D161-Q163 PolarHBondContact OD1-N 3.02Å
164L81.2Confident88.4Confident43 Ų4388 Ų8823%0.22544%0.436CS..SBendtrans-76.9131.6-176.7-16869.4000111A158 D161 R166 D168 Q169 F172A158-L164 HydrophobicContact CB-CD2 3.49Å; A158-L164 VanDerWaalsContact CB-CD2 3.49Å; D161-L164 HydrophobicContact CB-CB 3.93Å; D161-L164 PolarHBondContact O-N 3.41Å; L164-R166 PolarHBondContact O-N 3.26Å; L164-D168 HydrophobicContact CD1-CB 3.88Å; L164-D168 HydrophobicContact CD2-CB 4.24Å; L164-D168 HydrophobicContact CG-CB 3.91Å; L164-Q169 HydrophobicContact CB-CG 4.4Å; L164-Q169 HydrophobicContact CD2-CG 3.9Å; L164-Q169 HydrophobicContact CG-CG 4.29Å; L164-F172 HydrophobicContact CD2-CD2 3.99Å; L164-F172 HydrophobicContact CD2-CE2 3.88Å
165A85.8Confident88.4Confident53 Ų5390 Ų9044%0.43845%0.445SS..  trans-58.7139.417800000110.7V167 D168 Q169A165-V167 PolarHBondContact O-N 3.45Å; A165-D168 WeakPolarHBondContact O-CA 3.31Å; A165-D168 PolarHBondContact O-N 3.03Å; A165-Q169 PolarHBondContact O-N 2.96Å
166R85.4Confident88.7Confident191 Ų19192.3 Ų92.372%0.72145%0.454SS*.Hα-helixtrans-53-32.3177.4-172.5177.1179.8176.21.4113.1L164 D168 Q170L164-R166 PolarHBondContact O-N 3.26Å; R166-D168 VanDerWaalsContact C-N 3.34Å; R166-Q170 WeakPolarHBondContact O-CG 3.34Å; R166-Q170 PolarHBondContact O-N 3.38Å
167V87.4Confident88.9Confident91 Ų9192.3 Ų92.355%0.55245%0.453SS*.Hα-helixtrans-63.1-40.9175.2177.90000111.2A165 Q170 K171A165-V167 PolarHBondContact O-N 3.45Å; V167-Q170 PolarHBondContact O-N 3.07Å; V167-K171 WeakPolarHBondContact O-CG 3.49Å; V167-K171 PolarHBondContact O-N 3.34Å; V167-K171 VanDerWaalsContact O-N 3.09Å
168D87.9Confident89.2Confident54 Ų5487.9 Ų87.929%0.28945%0.446SS..Hα-helixtrans-75.7-36.4179.7-64.3-37.8000111.6L164 A165 R166 Q170 K171 F172L164-D168 HydrophobicContact CD1-CB 3.88Å; L164-D168 HydrophobicContact CD2-CB 4.24Å; L164-D168 HydrophobicContact CG-CB 3.91Å; A165-D168 WeakPolarHBondContact O-CA 3.31Å; A165-D168 PolarHBondContact O-N 3.03Å; R166-D168 VanDerWaalsContact C-N 3.34Å; D168-Q170 VanDerWaalsContact C-N 3.3Å; D168-Q170 PolarHBondContact O-N 3.43Å; D168-K171 WeakPolarHBondContact O-CB 3.28Å; D168-K171 PolarHBondContact O-N 3.44Å; D168-K171 VanDerWaalsContact O-N 3.13Å; D168-K171 IonicContact OD1-NZ 3.11Å; D168-K171 PolarHBondContact OD1-NZ 3.21Å; D168-F172 WeakPolarHBondContact O-CD2 3.36Å; D168-F172 PolarHBondContact O-N 3.37Å
169Q87.8Confident89.5Confident52 Ų5290.1 Ų90.124%0.24345%0.454CS..Hα-helixtrans-55.2-46.4169-67.3-179.2-12.300111.5A158 D161 L164 A165 K171 F172 E173A158-Q169 WeakPolarHBondContact O-CG 3.33Å; A158-Q169 PolarHBondContact O-NE2 2.93Å; D161-Q169 PolarHBondContact O-NE2 3.17Å; L164-Q169 HydrophobicContact CB-CG 4.4Å; L164-Q169 HydrophobicContact CD2-CG 3.9Å; L164-Q169 HydrophobicContact CG-CG 4.29Å; A165-Q169 PolarHBondContact O-N 2.96Å; Q169-K171 VanDerWaalsContact C-N 3.33Å; Q169-K171 PolarHBondContact O-N 3.43Å; Q169-F172 PolarHBondContact O-N 3.43Å; Q169-E173 PolarHBondContact O-N 2.95Å
170Q90.2Very high90.1Very high118 Ų11886.3 Ų86.355%0.55144%0.438SS*.Hα-helixtrans-64.4-34.5176.9-74.9177.8-16.800113R166 V167 D168 A174R166-Q170 WeakPolarHBondContact O-CG 3.34Å; R166-Q170 PolarHBondContact O-N 3.38Å; V167-Q170 PolarHBondContact O-N 3.07Å; D168-Q170 VanDerWaalsContact C-N 3.3Å; D168-Q170 PolarHBondContact O-N 3.43Å; Q170-A174 WeakPolarHBondContact O-CB 3.36Å; Q170-A174 PolarHBondContact O-N 3.39Å
171K92.9Very high90.5Very high123 Ų12387 Ų8754%0.53544%0.438SS..Hα-helixtrans-64.2-43.8174.5-72.6173.4-169157.80111.8V167 D168 Q169 A174 L175V167-K171 WeakPolarHBondContact O-CG 3.49Å; V167-K171 PolarHBondContact O-N 3.34Å; V167-K171 VanDerWaalsContact O-N 3.09Å; D168-K171 WeakPolarHBondContact O-CB 3.28Å; D168-K171 PolarHBondContact O-N 3.44Å; D168-K171 VanDerWaalsContact O-N 3.13Å; D168-K171 IonicContact OD1-NZ 3.11Å; D168-K171 PolarHBondContact OD1-NZ 3.21Å; Q169-K171 VanDerWaalsContact C-N 3.33Å; Q169-K171 PolarHBondContact O-N 3.43Å; K171-A174 PolarHBondContact O-N 2.72Å; K171-L175 WeakPolarHBondContact O-CB 3.34Å; K171-L175 PolarHBondContact O-N 2.99Å
172F92.3Very high90.9Very high70 Ų7085.7 Ų85.731%0.30743%0.434SS..Hα-helixtrans-67.6-37.3178.5-68.5-59.8000112.1V154 A158 L164 D168 Q169 L175 Y176V154-F172 HydrophobicContact CG1-CD1 3.36Å; V154-F172 HydrophobicContact CG1-CE1 3.57Å; V154-F172 HydrophobicContact CG1-CG 4.04Å; V154-F172 HydrophobicContact CG1-CZ 4.38Å; A158-F172 HydrophobicContact CB-CB 4.04Å; A158-F172 HydrophobicContact CB-CD2 3.38Å; A158-F172 HydrophobicContact CB-CE2 4.1Å; A158-F172 HydrophobicContact CB-CG 3.95Å; L164-F172 HydrophobicContact CD2-CD2 3.99Å; L164-F172 HydrophobicContact CD2-CE2 3.88Å; D168-F172 WeakPolarHBondContact O-CD2 3.36Å; D168-F172 PolarHBondContact O-N 3.37Å; Q169-F172 PolarHBondContact O-N 3.43Å; F172-L175 PolarHBondContact O-N 2.93Å; F172-Y176 PolarHBondContact O-N 2.95Å
173E91.9Very high91.8Very high58 Ų5878.7 Ų78.727%0.27140%0.397SS..Hα-helixtrans-65.3-44.7173-176.154.6-152.200111.9S155 Q159 Q169 L175 Y176 Q177S155-E173 PolarHBondContact OG-OE2 3.3Å; Q159-E173 PolarHBondContact NE2-OE2 3.38Å; Q159-E173 VanDerWaalsContact NE2-OE2 3.09Å; Q169-E173 PolarHBondContact O-N 2.95Å; E173-L175 VanDerWaalsContact C-N 3.28Å; E173-L175 PolarHBondContact O-N 3.3Å; E173-Y176 PolarHBondContact O-N 3.26Å; E173-Y176 VanDerWaalsContact O-N 3.17Å; E173-Q177 WeakPolarHBondContact O-CG 3.43Å; E173-Q177 PolarHBondContact O-N 3.44Å; E173-Q177 PolarHBondContact OE1-NE2 2.84Å
174A94.5Very high92.5Very high61 Ų6173.2 Ų73.250%0.50437%0.374SS..Hα-helixtrans-60.3-37.9175.100000112.3Q170 K171 S178Q170-A174 WeakPolarHBondContact O-CB 3.36Å; Q170-A174 PolarHBondContact O-N 3.39Å; K171-A174 PolarHBondContact O-N 2.72Å; A174-S178 WeakPolarHBondContact O-CB 3.39Å; A174-S178 PolarHBondContact O-N 2.99Å
175L94.9Very high93.2Very high84 Ų8475.2 Ų75.244%0.4438%0.382SS..Hα-helixtrans-64.3-44.9174.2-178.766.6000111.6K171 F172 E173 S178 K179K171-L175 WeakPolarHBondContact O-CB 3.34Å; K171-L175 PolarHBondContact O-N 2.99Å; F172-L175 PolarHBondContact O-N 2.93Å; E173-L175 VanDerWaalsContact C-N 3.28Å; E173-L175 PolarHBondContact O-N 3.3Å; L175-S178 WeakPolarHBondContact O-CB 3.08Å; L175-S178 PolarHBondContact O-N 2.93Å; L175-K179 WeakPolarHBondContact O-CG 3.12Å; L175-K179 PolarHBondContact O-N 3.46Å
176Y95.8Very high93.7Very high51 Ų5173.1 Ų73.120%0.236%0.364CS..Hα-helixtrans-59.3-49.4175.5170.8-116.7000111.3K148 A151 Y152 F172 E173 S178 K179 V180K148-Y176 HydrophobicContact CG-CE2 4.04Å; A151-Y176 HydrophobicContact CB-CD2 4.36Å; Y152-Y176 HydrophobicContact CD2-CD2 4.5Å; Y152-Y176 HydrophobicContact CD2-CE1 4.38Å; Y152-Y176 AromaticContact CD2-CE2 3.9Å; Y152-Y176 HydrophobicContact CD2-CE2 3.9Å; Y152-Y176 AromaticContact CD2-CZ 3.82Å; Y152-Y176 HydrophobicContact CG-CE2 4.25Å; F172-Y176 PolarHBondContact O-N 2.95Å; E173-Y176 PolarHBondContact O-N 3.26Å; E173-Y176 VanDerWaalsContact O-N 3.17Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.34Å; Y176-K179 CarbonylContact O-C 3.49Å; Y176-K179 WeakPolarHBondContact O-CA 3.2Å; Y176-K179 PolarHBondContact O-N 3.04Å; Y176-V180 HydrophobicContact CD1-CG2 4.42Å; Y176-V180 HydrophobicContact CD2-CG2 4.14Å; Y176-V180 HydrophobicContact CE1-CG2 3.97Å; Y176-V180 HydrophobicContact CE2-CG2 3.64Å; Y176-V180 HydrophobicContact CG-CG2 4.5Å; Y176-V180 WeakPolarHBondContact O-CG2 3.45Å; Y176-V180 PolarHBondContact O-N 3.44Å
177Q96.5Very high94.2Very high86 Ų8665.7 Ų65.740%0.40234%0.342SS..Hα-helixtrans-59.7-39177.4-66.5-60.9-25.400112.5E173 K179 V180 Q181E173-Q177 WeakPolarHBondContact O-CG 3.43Å; E173-Q177 PolarHBondContact O-N 3.44Å; E173-Q177 PolarHBondContact OE1-NE2 2.84Å; Q177-K179 VanDerWaalsContact C-N 3.33Å; Q177-K179 PolarHBondContact O-N 3.26Å; Q177-V180 WeakPolarHBondContact O-CB 3.42Å; Q177-V180 PolarHBondContact O-N 3.42Å; Q177-Q181 WeakPolarHBondContact O-CG 3.3Å; Q177-Q181 PolarHBondContact O-N 3.35Å
178S97Very high94.7Very high58 Ų5868.1 Ų68.141%0.40634%0.341SS..Hα-helixtrans-61.8-39.5173.2178.90000112.5A174 L175 Y176 Q181 S182A174-S178 WeakPolarHBondContact O-CB 3.39Å; A174-S178 PolarHBondContact O-N 2.99Å; L175-S178 WeakPolarHBondContact O-CB 3.08Å; L175-S178 PolarHBondContact O-N 2.93Å; Y176-S178 VanDerWaalsContact C-N 3.3Å; Y176-S178 PolarHBondContact O-N 3.34Å; S178-Q181 PolarHBondContact O-N 3.27Å; S178-S182 PolarHBondContact O-N 3.41Å; S178-S182 PolarHBondContact O-OG 3.38Å
179K97Very high95.1Very high54 Ų5469 Ų6924%0.23535%0.346CS..Hα-helixtrans-72.2-32.8175.4-65.9-55.5-174.3177.70113E147 K148 A151 L175 Y176 Q177 S182 F183E147-K179 HydrophobicContact CB-CD 4.1Å; E147-K179 IonicContact OE2-NZ 3.52Å; E147-K179 PolarHBondContact OE2-NZ 3.37Å; K148-K179 HydrophobicContact CB-CB 4.34Å; A151-K179 HydrophobicContact CB-CB 4.18Å; A151-K179 HydrophobicContact CB-CG 3.9Å; L175-K179 WeakPolarHBondContact O-CG 3.12Å; L175-K179 PolarHBondContact O-N 3.46Å; Y176-K179 CarbonylContact O-C 3.49Å; Y176-K179 WeakPolarHBondContact O-CA 3.2Å; Y176-K179 PolarHBondContact O-N 3.04Å; Q177-K179 VanDerWaalsContact C-N 3.33Å; Q177-K179 PolarHBondContact O-N 3.26Å; K179-S182 PolarHBondContact O-N 3.44Å; K179-F183 WeakPolarHBondContact O-CB 3.46Å; K179-F183 PolarHBondContact O-N 3.32Å
180V96.8Very high95.5Very high27 Ų2769.4 Ų69.416%0.16435%0.345CS..Hα-helixtrans-59.5-50.9169.7173.30000110.1K148 Y176 Q177 S182 F183 D184K148-V180 HydrophobicContact CD-CG2 4.17Å; K148-V180 HydrophobicContact CG-CG2 4.19Å; Y176-V180 HydrophobicContact CD1-CG2 4.42Å; Y176-V180 HydrophobicContact CD2-CG2 4.14Å; Y176-V180 HydrophobicContact CE1-CG2 3.97Å; Y176-V180 HydrophobicContact CE2-CG2 3.64Å; Y176-V180 HydrophobicContact CG-CG2 4.5Å; Y176-V180 WeakPolarHBondContact O-CG2 3.45Å; Y176-V180 PolarHBondContact O-N 3.44Å; Q177-V180 WeakPolarHBondContact O-CB 3.42Å; Q177-V180 PolarHBondContact O-N 3.42Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.95Å; V180-F183 WeakPolarHBondContact O-CB 3.49Å; V180-F183 PolarHBondContact O-N 2.99Å; V180-F183 VanDerWaalsContact O-N 3.15Å; V180-D184 VanDerWaalsContact O-CG 3.31Å; V180-D184 PolarHBondContact O-N 3.16Å
181Q96.6Very high95.8Very high133 Ų13367.6 Ų67.662%0.62134%0.342SS*.Hα-helixtrans-59.6-41.1177.3-68.7175.5700112.7Q177 S178 D184 Q185Q177-Q181 WeakPolarHBondContact O-CG 3.3Å; Q177-Q181 PolarHBondContact O-N 3.35Å; S178-Q181 PolarHBondContact O-N 3.27Å; Q181-D184 PolarHBondContact O-N 3.39Å; Q181-Q185 WeakPolarHBondContact O-CB 3.33Å; Q181-Q185 PolarHBondContact O-N 2.97Å
182S95.8Very high96Very high41 Ų4166 Ų6629%0.28734%0.34SS..Hα-helixtrans-64.7-39.8177-59.20000112N144 S178 K179 V180 A186N144-S182 PolarHBondContact ND2-O 3.43Å; S178-S182 PolarHBondContact O-N 3.41Å; S178-S182 PolarHBondContact O-OG 3.38Å; K179-S182 PolarHBondContact O-N 3.44Å; V180-S182 VanDerWaalsContact C-N 3.32Å; V180-S182 PolarHBondContact O-N 2.95Å; S182-A186 WeakPolarHBondContact O-CB 3.35Å; S182-A186 PolarHBondContact O-N 2.79Å
183F97.4Very high96.2Very high21 Ų2164.9 Ų64.99%0.09234%0.335CS..Hα-helixtrans-65.5-46.3174.5170.3-99.9000111.5Y141 N144 F145 K148 K179 V180 Q185 A186 S187Y141-F183 HydrophobicContact CD2-CD2 4.38Å; Y141-F183 AromaticContact CD2-CE2 3.96Å; Y141-F183 HydrophobicContact CD2-CE2 3.96Å; Y141-F183 HydrophobicContact CE2-CD2 4.09Å; Y141-F183 AromaticContact CE2-CE2 3.29Å; Y141-F183 HydrophobicContact CE2-CE2 3.29Å; Y141-F183 AromaticContact CE2-CZ 3.64Å; Y141-F183 HydrophobicContact CE2-CZ 3.64Å; Y141-F183 AromaticContact CZ-CE2 3.79Å; Y141-F183 AromaticContact CZ-CZ 3.99Å; N144-F183 HydrophobicContact CB-CB 4.35Å; F145-F183 HydrophobicContact CB-CD2 3.93Å; F145-F183 HydrophobicContact CB-CE2 3.78Å; F145-F183 HydrophobicContact CD2-CD2 4.31Å; F145-F183 AromaticContact CD2-CE2 3.69Å; F145-F183 HydrophobicContact CD2-CE2 3.69Å; F145-F183 HydrophobicContact CD2-CZ 4.13Å; F145-F183 HydrophobicContact CG-CE2 4.21Å; K148-F183 HydrophobicContact CB-CB 4.43Å; K148-F183 HydrophobicContact CD-CB 4.02Å; K148-F183 HydrophobicContact CD-CD1 3.96Å; K148-F183 HydrophobicContact CD-CG 3.95Å; K148-F183 VanDerWaalsContact NZ-CE1 3.28Å; K179-F183 WeakPolarHBondContact O-CB 3.46Å; K179-F183 PolarHBondContact O-N 3.32Å; V180-F183 WeakPolarHBondContact O-CB 3.49Å; V180-F183 PolarHBondContact O-N 2.99Å; V180-F183 VanDerWaalsContact O-N 3.15Å; F183-Q185 VanDerWaalsContact C-N 3.3Å; F183-Q185 PolarHBondContact O-N 3.28Å; F183-A186 PolarHBondContact O-N 3.4Å; F183-S187 WeakPolarHBondContact O-CB 3.49Å; F183-S187 PolarHBondContact O-N 2.94Å
184D96.9Very high96.4Very high69 Ų6964.7 Ų64.737%0.36934%0.336SS..Hα-helixtrans-61.8-39.7178.5-67.7-17000111.4V180 Q181 S187 R188V180-D184 VanDerWaalsContact O-CG 3.31Å; V180-D184 PolarHBondContact O-N 3.16Å; Q181-D184 PolarHBondContact O-N 3.39Å; D184-S187 WeakPolarHBondContact O-CB 3.44Å; D184-S187 PolarHBondContact O-N 2.63Å; D184-R188 PolarHBondContact O-N 3.11Å
185Q96.2Very high96.5Very high85 Ų8564.1 Ų64.140%0.39733%0.331SS..Hα-helixtrans-65.7-43.7174.9-171.457.536.600112.4Q181 F183 S187 R188 N189Q181-Q185 WeakPolarHBondContact O-CB 3.33Å; Q181-Q185 PolarHBondContact O-N 2.97Å; F183-Q185 VanDerWaalsContact C-N 3.3Å; F183-Q185 PolarHBondContact O-N 3.28Å; Q185-S187 VanDerWaalsContact C-N 3.29Å; Q185-S187 PolarHBondContact O-N 3.07Å; Q185-R188 PolarHBondContact O-N 2.87Å; Q185-N189 PolarHBondContact NE2-OD1 3.39Å; Q185-N189 PolarHBondContact O-N 3.41Å; Q185-N189 PolarHBondContact O-OD1 2.81Å
186A96.5Very high96.5Very high8 Ų865.5 Ų65.57%0.06633%0.334CS..Hα-helixtrans-65.2-34.6175.600000112.1N144 S182 F183 N189 Y190N144-A186 HydrophobicContact CB-CB 4.21Å; N144-A186 WeakPolarHBondContact ND2-CB 3.44Å; S182-A186 WeakPolarHBondContact O-CB 3.35Å; S182-A186 PolarHBondContact O-N 2.79Å; F183-A186 PolarHBondContact O-N 3.4Å; A186-N189 PolarHBondContact O-N 2.94Å; A186-Y190 WeakPolarHBondContact O-CB 3.31Å; A186-Y190 PolarHBondContact O-N 3.18Å
187S96.6Very high96.6Very high35 Ų3565.3 Ų65.325%0.24533%0.333CS..Hα-helixtrans-62.6-48.4174.5-166.90000111.3F183 D184 Q185 Y190 V191F183-S187 WeakPolarHBondContact O-CB 3.49Å; F183-S187 PolarHBondContact O-N 2.94Å; D184-S187 WeakPolarHBondContact O-CB 3.44Å; D184-S187 PolarHBondContact O-N 2.63Å; Q185-S187 VanDerWaalsContact C-N 3.29Å; Q185-S187 PolarHBondContact O-N 3.07Å; S187-Y190 PolarHBondContact O-N 2.5Å; S187-V191 VanDerWaalsContact O-CG2 3.31Å; S187-V191 WeakPolarHBondContact O-CG2 3.47Å; S187-V191 PolarHBondContact O-N 2.93Å
188R96.6Very high96.6Very high143 Ų14364.5 Ų64.554%0.5433%0.332SS..Hα-helixtrans-59.4-47.5175.9-73.7-172.2-72.8-119.51.3111.5D184 Q185 Y190 V191 D192D184-R188 PolarHBondContact O-N 3.11Å; Q185-R188 PolarHBondContact O-N 2.87Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 3.17Å; R188-V191 PolarHBondContact O-N 3.19Å; R188-D192 VanDerWaalsContact O-CG 3.32Å; R188-D192 PolarHBondContact O-N 3.42Å
189N96.3Very high96.6Very high72 Ų7266.8 Ų66.839%0.38534%0.338SS..Hα-helixtrans-60.6-42.1178.3-67.2-7.9000112.4Q185 A186 D192 E193Q185-N189 PolarHBondContact NE2-OD1 3.39Å; Q185-N189 PolarHBondContact O-N 3.41Å; Q185-N189 PolarHBondContact O-OD1 2.81Å; A186-N189 PolarHBondContact O-N 2.94Å; N189-D192 PolarHBondContact O-N 3.44Å; N189-E193 WeakPolarHBondContact O-CB 3.47Å; N189-E193 WeakPolarHBondContact O-CG 3.38Å; N189-E193 PolarHBondContact O-N 2.83Å
190Y97.1Very high96.5Very high60 Ų6065.9 Ų65.924%0.23534%0.341CS..Hα-helixtrans-64.3-44.2176.8169.5-110000111.7L134 W138 A186 S187 R188 D192 E193 L194L134-Y190 HydrophobicContact CD1-CD2 4.01Å; L134-Y190 HydrophobicContact CD1-CE2 3.74Å; W138-Y190 HydrophobicContact CB-CD2 4.2Å; W138-Y190 HydrophobicContact CB-CE2 4.06Å; A186-Y190 WeakPolarHBondContact O-CB 3.31Å; A186-Y190 PolarHBondContact O-N 3.18Å; S187-Y190 PolarHBondContact O-N 2.5Å; R188-Y190 VanDerWaalsContact C-N 3.34Å; R188-Y190 PolarHBondContact O-N 3.17Å; Y190-D192 VanDerWaalsContact C-N 3.33Å; Y190-D192 PolarHBondContact O-N 3.14Å; Y190-E193 PolarHBondContact O-N 3.18Å; Y190-L194 HydrophobicContact CE1-CD2 4.38Å; Y190-L194 VanDerWaalsContact O-CB 3.25Å; Y190-L194 WeakPolarHBondContact O-CB 3.11Å; Y190-L194 PolarHBondContact O-N 2.8Å
191V96.8Very high96.5Very high81 Ų8165.7 Ų65.749%0.49134%0.34SS..Hα-helixtrans-59.5-44.4176.1169.70000111.2S187 R188 L194 A195S187-V191 VanDerWaalsContact O-CG2 3.31Å; S187-V191 WeakPolarHBondContact O-CG2 3.47Å; S187-V191 PolarHBondContact O-N 2.93Å; R188-V191 PolarHBondContact O-N 3.19Å; V191-L194 PolarHBondContact O-N 3Å; V191-A195 PolarHBondContact O-N 3.45Å
192D96.5Very high96.4Very high89 Ų8967 Ų6748%0.47634%0.34SS..Hα-helixtrans-64.6-46.4178.5-69.7-20.6000112R188 N189 Y190 L194 A195 K196R188-D192 VanDerWaalsContact O-CG 3.32Å; R188-D192 PolarHBondContact O-N 3.42Å; N189-D192 PolarHBondContact O-N 3.44Å; Y190-D192 VanDerWaalsContact C-N 3.33Å; Y190-D192 PolarHBondContact O-N 3.14Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-L194 PolarHBondContact O-N 3.48Å; D192-A195 PolarHBondContact O-N 3.42Å; D192-K196 VanDerWaalsContact O-CG 3.31Å; D192-K196 WeakPolarHBondContact O-CG 3.42Å; D192-K196 PolarHBondContact O-N 3.09Å
193E95.7Very high96.5Very high46 Ų4672.8 Ų72.822%0.21536%0.355CS..Hα-helixtrans-65.8-35.8177.3-71.3-54129.400112.3L134 N189 Y190 K196 Y197L134-E193 HydrophobicContact CD1-CB 4.3Å; N189-E193 WeakPolarHBondContact O-CB 3.47Å; N189-E193 WeakPolarHBondContact O-CG 3.38Å; N189-E193 PolarHBondContact O-N 2.83Å; Y190-E193 PolarHBondContact O-N 3.18Å; E193-K196 PolarHBondContact O-N 3.4Å; E193-K196 IonicContact OE1-NZ 2.71Å; E193-K196 PolarHBondContact OE1-NZ 3.04Å; E193-Y197 WeakPolarHBondContact O-CB 3.43Å; E193-Y197 PolarHBondContact O-N 3.27Å
194L96.6Very high96.4Very high54 Ų5472 Ų7228%0.28335%0.352SS..Hα-helixtrans-64.5-43.7175.1-179.463.9000111.4L134 Y190 V191 D192 Y197 N198L134-L194 HydrophobicContact CD1-CB 3.96Å; L134-L194 HydrophobicContact CD1-CD1 4.19Å; L134-L194 HydrophobicContact CD2-CD1 4Å; Y190-L194 HydrophobicContact CE1-CD2 4.38Å; Y190-L194 VanDerWaalsContact O-CB 3.25Å; Y190-L194 WeakPolarHBondContact O-CB 3.11Å; Y190-L194 PolarHBondContact O-N 2.8Å; V191-L194 PolarHBondContact O-N 3Å; D192-L194 VanDerWaalsContact C-N 3.34Å; D192-L194 PolarHBondContact O-N 3.48Å; L194-Y197 PolarHBondContact O-N 3.4Å; L194-N198 WeakPolarHBondContact O-CB 3.15Å; L194-N198 VanDerWaalsContact O-CG 3.25Å; L194-N198 PolarHBondContact O-N 3.34Å; L194-N198 PolarHBondContact O-ND2 3.32Å
195A96.2Very high96.3Very high50 Ų5073.4 Ų73.441%0.41335%0.353SS..Hα-helixtrans-61.7-45.6175.800000111.4V191 D192 N198 I199V191-A195 PolarHBondContact O-N 3.45Å; D192-A195 PolarHBondContact O-N 3.42Å; A195-N198 PolarHBondContact O-N 2.97Å; A195-I199 WeakPolarHBondContact O-CG1 3.5Å; A195-I199 PolarHBondContact O-N 2.95Å; A195-I199 VanDerWaalsContact O-N 3.1Å
196K96.2Very high96.2Very high113 Ų11373.5 Ų73.549%0.49136%0.363SS..Hα-helixtrans-60-48.8176.1-70.4172.7-164.61690111.9D192 E193 N198 I199 A200D192-K196 VanDerWaalsContact O-CG 3.31Å; D192-K196 WeakPolarHBondContact O-CG 3.42Å; D192-K196 PolarHBondContact O-N 3.09Å; E193-K196 PolarHBondContact O-N 3.4Å; E193-K196 IonicContact OE1-NZ 2.71Å; E193-K196 PolarHBondContact OE1-NZ 3.04Å; K196-N198 PolarHBondContact O-N 3.29Å; K196-I199 PolarHBondContact O-N 2.94Å; K196-A200 WeakPolarHBondContact O-CB 3.26Å; K196-A200 PolarHBondContact O-N 3.26Å
197Y97.3Very high96.1Very high47 Ų4776.6 Ų76.618%0.18438%0.381CS..Hα-helixtrans-60.2-46.1178.3174.8-100.1000111.7I127 R131 L134 E193 L194 I199 A200 S201I127-Y197 HydrophobicContact CD1-CE2 4.07Å; R131-Y197 HydrophobicContact CB-CE2 3.96Å; R131-Y197 HydrophobicContact CG-CE2 4.46Å; L134-Y197 HydrophobicContact CD2-CD1 3.56Å; L134-Y197 HydrophobicContact CD2-CD2 4.41Å; L134-Y197 HydrophobicContact CD2-CE1 4.17Å; L134-Y197 HydrophobicContact CD2-CG 3.69Å; E193-Y197 WeakPolarHBondContact O-CB 3.43Å; E193-Y197 PolarHBondContact O-N 3.27Å; L194-Y197 PolarHBondContact O-N 3.4Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.39Å; Y197-A200 PolarHBondContact O-N 3.48Å; Y197-S201 VanDerWaalsContact O-CB 3.28Å; Y197-S201 WeakPolarHBondContact O-CB 3.39Å; Y197-S201 PolarHBondContact O-N 2.96Å
198N96.8Very high96.1Very high69 Ų6976.9 Ų76.937%0.36938%0.38SS..Hα-helixtrans-64.8-30.8-179.8-74.9-20.8000113.1L194 A195 K196 R202L194-N198 WeakPolarHBondContact O-CB 3.15Å; L194-N198 VanDerWaalsContact O-CG 3.25Å; L194-N198 PolarHBondContact O-N 3.34Å; L194-N198 PolarHBondContact O-ND2 3.32Å; A195-N198 PolarHBondContact O-N 2.97Å; K196-N198 PolarHBondContact O-N 3.29Å; N198-R202 WeakPolarHBondContact O-CG 3.42Å; N198-R202 PolarHBondContact O-N 2.91Å; N198-R202 PolarHBondContact O-NE 3.48Å
199I96.5Very high96.1Very high105 Ų10570.2 Ų70.254%0.53836%0.355SS..Hα-helixtrans-71.7-48.3172.5-68.3166.2000110A195 K196 Y197 S201 R202 R203A195-I199 WeakPolarHBondContact O-CG1 3.5Å; A195-I199 PolarHBondContact O-N 2.95Å; A195-I199 VanDerWaalsContact O-N 3.1Å; K196-I199 PolarHBondContact O-N 2.94Å; Y197-I199 VanDerWaalsContact C-N 3.28Å; Y197-I199 PolarHBondContact O-N 3.39Å; I199-S201 PolarHBondContact O-N 3.09Å; I199-R202 PolarHBondContact O-N 3.02Å; I199-R203 WeakPolarHBondContact O-CB 3.49Å; I199-R203 PolarHBondContact O-N 3.44Å
200A95.9Very high96.1Very high35 Ų3568.1 Ų68.129%0.28934%0.344SS..Hα-helixtrans-60.9-43.1178.900000112K196 Y197 R203 H204K196-A200 WeakPolarHBondContact O-CB 3.26Å; K196-A200 PolarHBondContact O-N 3.26Å; Y197-A200 PolarHBondContact O-N 3.48Å; A200-R203 PolarHBondContact O-N 3.21Å; A200-H204 VanDerWaalsContact O-CB 3.22Å; A200-H204 WeakPolarHBondContact O-CB 3.17Å; A200-H204 PolarHBondContact O-N 3.2Å
201S95.5Very high96.1Very high23 Ų2368.5 Ų68.516%0.16135%0.353CS..Hα-helixtrans-62.8-47.2177.6-175.50000111.7Y197 I199 H204 Y205Y197-S201 VanDerWaalsContact O-CB 3.28Å; Y197-S201 WeakPolarHBondContact O-CB 3.39Å; Y197-S201 PolarHBondContact O-N 2.96Å; I199-S201 PolarHBondContact O-N 3.09Å; S201-H204 PolarHBondContact O-N 2.96Å; S201-Y205 WeakPolarHBondContact O-CD2 3.28Å; S201-Y205 PolarHBondContact O-N 3.01Å
202R96.2Very high96.1Very high160 Ų16064.9 Ų64.960%0.60433%0.331SS*.Hα-helixtrans-61.2-45.8176.4-82179.4-74.8154.1-7.3111.4N198 I199 H204 S206N198-R202 WeakPolarHBondContact O-CG 3.42Å; N198-R202 PolarHBondContact O-N 2.91Å; N198-R202 PolarHBondContact O-NE 3.48Å; I199-R202 PolarHBondContact O-N 3.02Å; R202-H204 VanDerWaalsContact C-N 3.35Å; R202-H204 PolarHBondContact O-N 3.46Å; R202-S206 WeakPolarHBondContact O-CA 3.34Å; R202-S206 WeakPolarHBondContact O-CB 3.29Å; R202-S206 PolarHBondContact O-N 3.01Å; R202-S206 PolarHBondContact O-OG 3.29Å
203R95.9Very high96.1Very high163 Ų16360.7 Ų60.762%0.61531%0.308SS*.Hα-helixtrans-59.7-45.7176-178.7-174.4170.6157.13.2111.9I199 A200 T207 D208I199-R203 WeakPolarHBondContact O-CB 3.49Å; I199-R203 PolarHBondContact O-N 3.44Å; A200-R203 PolarHBondContact O-N 3.21Å; R203-T207 WeakPolarHBondContact O-CA 3.3Å; R203-T207 WeakPolarHBondContact O-CB 3.39Å; R203-T207 PolarHBondContact O-N 3.03Å; R203-D208 IonicContact NE-OD1 3.25Å; R203-D208 PolarHBondContact NE-OD1 2.89Å; R203-D208 IonicContact NE-OD2 3.18Å; R203-D208 IonicContact NH2-OD1 2.99Å; R203-D208 PolarHBondContact O-N 2.87Å
204H96.2Very high96.1Very high6 Ų661.1 Ų61.13%0.02831%0.312CS..Iπ-helixtrans-59.3-52.8-178.4178.974.9000111.5I127 A200 S201 R202 D208 I209I127-H204 HydrophobicContact CD1-CB 4.41Å; A200-H204 VanDerWaalsContact O-CB 3.22Å; A200-H204 WeakPolarHBondContact O-CB 3.17Å; A200-H204 PolarHBondContact O-N 3.2Å; S201-H204 PolarHBondContact O-N 2.96Å; R202-H204 VanDerWaalsContact C-N 3.35Å; R202-H204 PolarHBondContact O-N 3.46Å; H204-D208 PolarHBondContact O-N 3.01Å; H204-I209 WeakPolarHBondContact O-CG1 3.4Å; H204-I209 PolarHBondContact O-N 3.17Å
205Y94.6Very high96.1Very high98 Ų9862.9 Ų62.938%0.38432%0.322SS..Iπ-helixtrans-80.1-34.7-176.6-65.4-66.5000114W11 S201 I209W11-Y205 AromaticContact CE3-CD1 3.75Å; W11-Y205 HydrophobicContact CE3-CD1 3.75Å; W11-Y205 HydrophobicContact CE3-CE1 4.23Å; W11-Y205 AromaticContact CZ3-CD1 3.53Å; W11-Y205 HydrophobicContact CZ3-CD1 3.53Å; W11-Y205 AromaticContact CZ3-CE1 3.72Å; W11-Y205 HydrophobicContact CZ3-CE1 3.72Å; S201-Y205 WeakPolarHBondContact O-CD2 3.28Å; S201-Y205 PolarHBondContact O-N 3.01Å; Y205-I209 HydrophobicContact CD1-CD1 3.61Å; Y205-I209 HydrophobicContact CE1-CD1 3.87Å
206S94.4Very high96.1Very high86 Ų8660.5 Ų60.560%0.60130%0.302SS*.Iπ-helixtrans-89.7-12.4-177.2-54.70000114.1R202R202-S206 WeakPolarHBondContact O-CA 3.34Å; R202-S206 WeakPolarHBondContact O-CB 3.29Å; R202-S206 PolarHBondContact O-N 3.01Å; R202-S206 PolarHBondContact O-OG 3.29Å
207T95.4Very high96.2Very high73 Ų7355.9 Ų55.945%0.44828%0.282SS..Iπ-helixtrans-137.5-60-176.3-520000112R203 I209 V210 T211R203-T207 WeakPolarHBondContact O-CA 3.3Å; R203-T207 WeakPolarHBondContact O-CB 3.39Å; R203-T207 PolarHBondContact O-N 3.03Å; T207-I209 PolarHBondContact O-N 2.74Å; T207-V210 PolarHBondContact O-N 2.93Å; T207-T211 WeakPolarHBondContact O-CB 3.44Å; T207-T211 PolarHBondContact O-N 2.86Å; T207-T211 PolarHBondContact O-OG1 3.01Å
208D96.3Very high96.1Very high41 Ų4156.9 Ų56.922%0.21930%0.296CS..Iπ-helixtrans-67.1-43.2-167.2-55-33.5000112.4L123 R203 H204 F212L123-D208 HydrophobicContact CD1-CB 3.66Å; L123-D208 HydrophobicContact CD2-CB 4.21Å; R203-D208 IonicContact NE-OD1 3.25Å; R203-D208 PolarHBondContact NE-OD1 2.89Å; R203-D208 IonicContact NE-OD2 3.18Å; R203-D208 IonicContact NH2-OD1 2.99Å; R203-D208 PolarHBondContact O-N 2.87Å; H204-D208 PolarHBondContact O-N 3.01Å; D208-F212 WeakPolarHBondContact O-CB 3.39Å; D208-F212 PolarHBondContact O-N 2.87Å
209I96.6Very high96Very high4 Ų455.2 Ų55.22%0.02129%0.29CS..Hα-helixtrans-66.5-44.9174.6-65.6-178.4000111W11 V14 W120 L123 H204 Y205 T207 T211 F212 V213W11-I209 HydrophobicContact CB-CG2 3.8Å; W11-I209 WeakPolarHBondContact O-CG2 3.47Å; V14-I209 HydrophobicContact CG2-CG2 4.46Å; W120-I209 HydrophobicContact CH2-CD1 4.43Å; W120-I209 HydrophobicContact CZ3-CD1 4.42Å; W120-I209 HydrophobicContact CZ3-CG1 4.16Å; L123-I209 HydrophobicContact CD2-CG1 4.25Å; H204-I209 WeakPolarHBondContact O-CG1 3.4Å; H204-I209 PolarHBondContact O-N 3.17Å; Y205-I209 HydrophobicContact CD1-CD1 3.61Å; Y205-I209 HydrophobicContact CE1-CD1 3.87Å; T207-I209 PolarHBondContact O-N 2.74Å; I209-T211 VanDerWaalsContact C-N 3.34Å; I209-T211 PolarHBondContact O-N 2.85Å; I209-F212 WeakPolarHBondContact O-CB 3.26Å; I209-F212 PolarHBondContact O-N 3.5Å; I209-F212 VanDerWaalsContact O-N 3.16Å; I209-V213 HydrophobicContact CG2-CG2 4.16Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 2.87Å
210V96.2Very high96Very high27 Ų2750.5 Ų50.516%0.16427%0.266CS..Hα-helixtrans-56.5-51.1-179.51790000109.7G7 V8 T207 F212 V213 D214G7-V210 WeakPolarHBondContact CA-O 3.47Å; G7-V210 WeakPolarHBondContact O-CG2 3.22Å; V8-V210 HydrophobicContact CG2-CG1 4.36Å; T207-V210 PolarHBondContact O-N 2.93Å; V210-F212 PolarHBondContact O-N 3.28Å; V210-V213 PolarHBondContact O-N 3.49Å; V210-D214 WeakPolarHBondContact O-CB 3.24Å; V210-D214 VanDerWaalsContact O-CG 3.28Å; V210-D214 PolarHBondContact O-N 3.34Å
211T95.8Very high96Very high69 Ų6953.7 Ų53.742%0.42327%0.271SS..Hα-helixtrans-62.3-41.1177.4-570000112.1T207 I209 V213 D214 D215T207-T211 WeakPolarHBondContact O-CB 3.44Å; T207-T211 PolarHBondContact O-N 2.86Å; T207-T211 PolarHBondContact O-OG1 3.01Å; I209-T211 VanDerWaalsContact C-N 3.34Å; I209-T211 PolarHBondContact O-N 2.85Å; T211-V213 VanDerWaalsContact C-N 3.34Å; T211-V213 PolarHBondContact O-N 3.07Å; T211-D214 PolarHBondContact O-N 2.93Å; T211-D215 PolarHBondContact O-N 3.45Å
212F97.4Very high96.1Very high5 Ų558.5 Ų58.52%0.02229%0.292CS..Hα-helixtrans-60-44.4176.9173.7-92.1000112.3V14 F18 Q116 H119 W120 L123 D208 I209 V210 D215 M216V14-F212 HydrophobicContact CG1-CD1 4.37Å; V14-F212 HydrophobicContact CG1-CE1 3.72Å; F18-F212 HydrophobicContact CE2-CZ 4.39Å; F18-F212 HydrophobicContact CZ-CE1 4.35Å; F18-F212 AromaticContact CZ-CZ 3.81Å; F18-F212 HydrophobicContact CZ-CZ 3.81Å; Q116-F212 HydrophobicContact CB-CE2 4.38Å; Q116-F212 HydrophobicContact CB-CZ 4.33Å; Q116-F212 WeakPolarHBondContact O-CE2 3.48Å; H119-F212 HydrophobicContact CB-CE2 4.21Å; H119-F212 AromaticContact ND1-CD2 3.51Å; H119-F212 AromaticContact ND1-CE2 3.88Å; W120-F212 HydrophobicContact CB-CE1 4.31Å; W120-F212 HydrophobicContact CB-CE2 4.11Å; W120-F212 HydrophobicContact CB-CZ 3.78Å; W120-F212 HydrophobicContact CE3-CD1 4.14Å; W120-F212 HydrophobicContact CE3-CE1 4.17Å; L123-F212 HydrophobicContact CD2-CB 4.46Å; D208-F212 WeakPolarHBondContact O-CB 3.39Å; D208-F212 PolarHBondContact O-N 2.87Å; I209-F212 WeakPolarHBondContact O-CB 3.26Å; I209-F212 PolarHBondContact O-N 3.5Å; I209-F212 VanDerWaalsContact O-N 3.16Å; V210-F212 PolarHBondContact O-N 3.28Å; F212-D215 PolarHBondContact O-N 3.05Å; F212-M216 HydrophobicContact CE1-SD 4.36Å; F212-M216 PolarHBondContact O-N 3.42Å; F212-M216 VanDerWaalsContact O-N 3.14Å
213V97.1Very high96.1Very high0 Ų051.2 Ų51.20%027%0.265CS..Hα-helixtrans-74.7-34.9-179.1173.20000111.1W6 V14 L17 I209 V210 T211 D215 M216 E217W6-V213 HydrophobicContact CB-CG1 3.49Å; W6-V213 VanDerWaalsContact CB-CG1 3.49Å; W6-V213 WeakPolarHBondContact O-CG1 3.33Å; V14-V213 HydrophobicContact CG2-CG2 3.79Å; L17-V213 HydrophobicContact CD1-CG1 3.71Å; L17-V213 HydrophobicContact CD1-CG2 4.24Å; I209-V213 HydrophobicContact CG2-CG2 4.16Å; I209-V213 WeakPolarHBondContact O-CG2 3.48Å; I209-V213 PolarHBondContact O-N 2.87Å; V210-V213 PolarHBondContact O-N 3.49Å; T211-V213 VanDerWaalsContact C-N 3.34Å; T211-V213 PolarHBondContact O-N 3.07Å; V213-D215 VanDerWaalsContact C-N 3.34Å; V213-D215 PolarHBondContact O-N 3.11Å; V213-M216 WeakPolarHBondContact O-CB 3.48Å; V213-M216 PolarHBondContact O-N 3.05Å; V213-M216 VanDerWaalsContact O-N 3.16Å; V213-E217 PolarHBondContact O-N 3.48Å
214D96.1Very high96.1Very high55 Ų5547 Ų4729%0.29425%0.254SS..Hα-helixtrans-62.1-40171.4-73.7-26.6000111.7S5 G7 V210 T211 M216 E217 S218S5-D214 PolarHBondContact OG-OD1 3.39Å; G7-D214 WeakPolarHBondContact CA-OD1 3.4Å; G7-D214 PolarHBondContact N-OD1 3.15Å; V210-D214 WeakPolarHBondContact O-CB 3.24Å; V210-D214 VanDerWaalsContact O-CG 3.28Å; V210-D214 PolarHBondContact O-N 3.34Å; T211-D214 PolarHBondContact O-N 2.93Å; D214-M216 VanDerWaalsContact C-N 3.28Å; D214-M216 PolarHBondContact O-N 2.92Å; D214-E217 PolarHBondContact O-N 3.49Å; D214-S218 WeakPolarHBondContact O-CB 3.43Å; D214-S218 PolarHBondContact O-N 3.25Å
215D96.3Very high96.2Very high92 Ų9249.8 Ų49.849%0.49227%0.27SS..Hα-helixtrans-63.2-37173.6-76.3-20.7000111.7T211 F212 V213 S219T211-D215 PolarHBondContact O-N 3.45Å; F212-D215 PolarHBondContact O-N 3.05Å; V213-D215 VanDerWaalsContact C-N 3.34Å; V213-D215 PolarHBondContact O-N 3.11Å; D215-S219 WeakPolarHBondContact O-CB 3.33Å; D215-S219 PolarHBondContact O-N 2.83Å
216M96.5Very high96.3Very high0 Ų050.3 Ų50.30%027%0.271CS..Hα-helixtrans-67.9-44175.9-168.7171.9178.100111.5L17 F18 E21 F212 V213 D214 S219 S220L17-M216 HydrophobicContact CB-CE 3.56Å; L17-M216 HydrophobicContact CB-SD 3.94Å; L17-M216 HydrophobicContact CD1-SD 4.49Å; L17-M216 WeakPolarHBondContact O-CE 3.37Å; F18-M216 HydrophobicContact CD1-CE 4.06Å; F18-M216 HydrophobicContact CE1-CE 4.46Å; F18-M216 HydrophobicContact CG-CE 4.32Å; E21-M216 HydrophobicContact CB-CE 3.92Å; E21-M216 HydrophobicContact CG-CE 3.32Å; E21-M216 HydrophobicContact CG-CG 4.23Å; F212-M216 HydrophobicContact CE1-SD 4.36Å; F212-M216 PolarHBondContact O-N 3.42Å; F212-M216 VanDerWaalsContact O-N 3.14Å; V213-M216 WeakPolarHBondContact O-CB 3.48Å; V213-M216 PolarHBondContact O-N 3.05Å; V213-M216 VanDerWaalsContact O-N 3.16Å; D214-M216 VanDerWaalsContact C-N 3.28Å; D214-M216 PolarHBondContact O-N 2.92Å; M216-S219 PolarHBondContact O-N 3.29Å; M216-S220 WeakPolarHBondContact O-CB 3.26Å; M216-S220 PolarHBondContact O-N 3.36Å
217E96.6Very high96.5Very high15 Ų1546.9 Ų46.97%0.0725%0.246CC..Hα-helixtrans-59.6-46.4172.8-174.5-176.3171.600111.2W6 V213 D214 S219 S220 R221W6-E217 HydrophobicContact CB-CB 4.04Å; W6-E217 HydrophobicContact CB-CG 4.34Å; W6-E217 HydrophobicContact CD2-CB 3.67Å; W6-E217 HydrophobicContact CD2-CG 3.65Å; W6-E217 HydrophobicContact CE3-CB 3.58Å; W6-E217 HydrophobicContact CE3-CG 4.01Å; W6-E217 HydrophobicContact CG-CB 3.88Å; W6-E217 HydrophobicContact CG-CG 3.79Å; W6-E217 HydrophobicContact CZ3-CB 4.28Å; W6-E217 PolarHBondContact N-OE2 3.34Å; V213-E217 PolarHBondContact O-N 3.48Å; D214-E217 PolarHBondContact O-N 3.49Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 2.82Å; E217-S220 WeakPolarHBondContact O-CA 3.23Å; E217-S220 VanDerWaalsContact O-CB 3.28Å; E217-S220 WeakPolarHBondContact O-CB 3.37Å; E217-S220 PolarHBondContact O-N 3.04Å; E217-S220 VanDerWaalsContact O-N 3.09Å; E217-R221 HydrophobicContact CG-CG 4.46Å; E217-R221 WeakPolarHBondContact O-CG 2.87Å; E217-R221 PolarHBondContact O-N 2.94Å; E217-R221 IonicContact OE1-CZ 3.57Å; E217-R221 IonicContact OE1-NE 2.82Å; E217-R221 PolarHBondContact OE1-NE 3.3Å; E217-R221 IonicContact OE1-NH2 2.76Å; E217-R221 PolarHBondContact OE1-NH2 2.98Å
218S95.9Very high96.6Very high68 Ų6849.9 Ų49.948%0.47625%0.249SC..Hα-helixtrans-58.3-45.7177.2-177.80000111.6D214 S220 R221 M222D214-S218 WeakPolarHBondContact O-CB 3.43Å; D214-S218 PolarHBondContact O-N 3.25Å; S218-S220 VanDerWaalsContact C-N 3.33Å; S218-S220 PolarHBondContact O-N 3.43Å; S218-R221 PolarHBondContact O-N 3.46Å; S218-M222 WeakPolarHBondContact O-CB 3.44Å; S218-M222 VanDerWaalsContact O-CG 3.31Å; S218-M222 WeakPolarHBondContact O-CG 3.29Å; S218-M222 PolarHBondContact O-N 3.29Å
219S95.3Very high96.7Very high34 Ų3453.1 Ų53.124%0.23826%0.263CS..Hα-helixtrans-60-41.9173.6-174.50000112D215 M216 E217 M222 R223D215-S219 WeakPolarHBondContact O-CB 3.33Å; D215-S219 PolarHBondContact O-N 2.83Å; M216-S219 PolarHBondContact O-N 3.29Å; E217-S219 VanDerWaalsContact C-N 3.34Å; E217-S219 PolarHBondContact O-N 2.82Å; S219-M222 PolarHBondContact O-N 2.83Å; S219-R223 PolarHBondContact O-N 2.92Å
220S96.1Very high96.8Very high6 Ų653.1 Ų53.14%0.04226%0.263CS..Hα-helixtrans-62.5-45.9177.5-163.90000112.2W6 E21 M216 E217 S218 R223 N224W6-S220 WeakPolarHBondContact CH2-OG 3.49Å; E21-S220 WeakPolarHBondContact OE1-CB 3.34Å; E21-S220 PolarHBondContact OE1-OG 3.25Å; M216-S220 WeakPolarHBondContact O-CB 3.26Å; M216-S220 PolarHBondContact O-N 3.36Å; E217-S220 WeakPolarHBondContact O-CA 3.23Å; E217-S220 VanDerWaalsContact O-CB 3.28Å; E217-S220 WeakPolarHBondContact O-CB 3.37Å; E217-S220 PolarHBondContact O-N 3.04Å; E217-S220 VanDerWaalsContact O-N 3.09Å; S218-S220 VanDerWaalsContact C-N 3.33Å; S218-S220 PolarHBondContact O-N 3.43Å; S220-R223 PolarHBondContact O-N 3.23Å; S220-R223 PolarHBondContact OG-NH2 3.13Å; S220-N224 PolarHBondContact O-N 3.42Å
221R96.2Very high96.8Very high103 Ų10354 Ų5439%0.38927%0.267SS..Hα-helixtrans-63.1-42.1175.8-71.4176.7178.2-1038.2111.4E3 E217 S218 N224 N225E3-R221 IonicContact OE2-CZ 2.72Å; E3-R221 VanDerWaalsContact OE2-CZ 3.29Å; E3-R221 IonicContact OE2-NH1 2.95Å; E3-R221 PolarHBondContact OE2-NH1 3.37Å; E3-R221 IonicContact OE2-NH2 3.95Å; E3-R221 PolarHBondContact OE2-NH2 2.66Å; E217-R221 HydrophobicContact CG-CG 4.46Å; E217-R221 WeakPolarHBondContact O-CG 2.87Å; E217-R221 PolarHBondContact O-N 2.94Å; E217-R221 IonicContact OE1-CZ 3.57Å; E217-R221 IonicContact OE1-NE 2.82Å; E217-R221 PolarHBondContact OE1-NE 3.3Å; E217-R221 IonicContact OE1-NH2 2.76Å; E217-R221 PolarHBondContact OE1-NH2 2.98Å; S218-R221 PolarHBondContact O-N 3.46Å; R221-N224 PolarHBondContact O-N 2.9Å; R221-N225 WeakPolarHBondContact O-CB 3.24Å; R221-N225 PolarHBondContact O-N 2.88Å; R221-N225 PolarHBondContact O-ND2 2.96Å
222M96.5Very high97Very high123 Ų12355.8 Ų55.861%0.60627%0.273SS*.Hα-helixtrans-63.1-43.4176.3-75.6-61.6-66.400112.5S218 S219 N224 N225 R226S218-M222 WeakPolarHBondContact O-CB 3.44Å; S218-M222 VanDerWaalsContact O-CG 3.31Å; S218-M222 WeakPolarHBondContact O-CG 3.29Å; S218-M222 PolarHBondContact O-N 3.29Å; S219-M222 PolarHBondContact O-N 2.83Å; M222-N224 PolarHBondContact O-N 2.97Å; M222-N225 PolarHBondContact O-N 3.45Å; M222-R226 WeakPolarHBondContact O-CB 3.33Å; M222-R226 PolarHBondContact O-N 3.23Å
223R96.6Very high97Very high8 Ų857.8 Ų57.83%0.0328%0.283CS..Hα-helixtrans-54.3-53.3171166.1-178.468.1-143.1-10.7110.7E21 Q24 Q105 E109 S219 S220 N225 R226 T227E21-R223 VanDerWaalsContact CD-NH2 3.29Å; E21-R223 PolarHBondContact O-NH1 3.47Å; E21-R223 IonicContact OE1-CZ 3.35Å; E21-R223 IonicContact OE1-NH1 2.74Å; E21-R223 IonicContact OE1-NH2 2.6Å; E21-R223 PolarHBondContact OE1-NH2 3.03Å; E21-R223 IonicContact OE2-CZ 3.49Å; E21-R223 IonicContact OE2-NH1 3.03Å; E21-R223 PolarHBondContact OE2-NH1 3.3Å; E21-R223 IonicContact OE2-NH2 2.91Å; E21-R223 PolarHBondContact OE2-NH2 3.43Å; Q24-R223 VanDerWaalsContact CB-NH1 3.28Å; Q24-R223 VanDerWaalsContact CB-NH2 3.35Å; Q105-R223 PolarHBondContact NE2-O 3.47Å; E109-R223 VanDerWaalsContact OE1-CB 3.28Å; E109-R223 WeakPolarHBondContact OE1-CB 3.39Å; E109-R223 WeakPolarHBondContact OE1-CG 3.32Å; E109-R223 WeakPolarHBondContact OE2-CD 3.25Å; S219-R223 PolarHBondContact O-N 2.92Å; S220-R223 PolarHBondContact O-N 3.23Å; S220-R223 PolarHBondContact OG-NH2 3.13Å; R223-N225 VanDerWaalsContact C-N 3.32Å; R223-N225 PolarHBondContact O-N 2.97Å; R223-R226 PolarHBondContact O-N 3.23Å; R223-T227 WeakPolarHBondContact O-CB 3.29Å; R223-T227 PolarHBondContact O-N 3.02Å; R223-T227 PolarHBondContact O-OG1 2.87Å; R223-T227 VanDerWaalsContact O-OG1 3.06Å
224N96.9Very high97Very high74 Ų7458.3 Ų58.340%0.39629%0.286SS..Hα-helixtrans-62.4-40.5-176-72.6-10.9000111.9S220 R221 M222 R228S220-N224 PolarHBondContact O-N 3.42Å; R221-N224 PolarHBondContact O-N 2.9Å; M222-N224 PolarHBondContact O-N 2.97Å; N224-R228 WeakPolarHBondContact O-CB 3.49Å; N224-R228 PolarHBondContact O-N 3.46Å
225N97.6Very high97.1Very high65 Ų6559 Ų5935%0.34829%0.292SS..Hα-helixtrans-63.6-45.2175.4-69.8-19.1000111.8R221 M222 R223 R228 E229R221-N225 WeakPolarHBondContact O-CB 3.24Å; R221-N225 PolarHBondContact O-N 2.88Å; R221-N225 PolarHBondContact O-ND2 2.96Å; M222-N225 PolarHBondContact O-N 3.45Å; R223-N225 VanDerWaalsContact C-N 3.32Å; R223-N225 PolarHBondContact O-N 2.97Å; N225-R228 WeakPolarHBondContact O-CB 3.48Å; N225-R228 PolarHBondContact O-N 2.87Å; N225-R228 PolarHBondContact OD1-NH1 2.86Å; N225-E229 WeakPolarHBondContact O-CG 3.37Å; N225-E229 PolarHBondContact O-N 2.8Å
226R97.2Very high97.1Very high109 Ų10961.6 Ų61.641%0.41130%0.295SS..Hα-helixtrans-66.2-43.3179.4-173.259.1177.9163.31.2112.4Q105 M222 R223 R228 E229 L230Q105-R226 VanDerWaalsContact OE1-CG 3.24Å; M222-R226 WeakPolarHBondContact O-CB 3.33Å; M222-R226 PolarHBondContact O-N 3.23Å; R223-R226 PolarHBondContact O-N 3.23Å; R226-R228 VanDerWaalsContact C-N 3.31Å; R226-R228 PolarHBondContact O-N 2.72Å; R226-E229 WeakPolarHBondContact CD-OE2 3.47Å; R226-E229 IonicContact CZ-OE2 3.06Å; R226-E229 IonicContact NH1-OE2 3.62Å; R226-E229 PolarHBondContact NH1-OE2 3.36Å; R226-E229 WeakPolarHBondContact O-CB 3.37Å; R226-E229 PolarHBondContact O-N 3.06Å; R226-L230 HydrophobicContact CG-CD1 4.22Å; R226-L230 WeakPolarHBondContact O-CG 3.34Å; R226-L230 PolarHBondContact O-N 2.9Å
227T97.8Very high97.2Very high13 Ų1361.6 Ų61.68%0.0830%0.295CS..Hα-helixtrans-60-43174.6-60.30000110.5Y31 Q105 R223 E229 L230 L231Y31-T227 HydrophobicContact CD2-CG2 4.1Å; Y31-T227 HydrophobicContact CE2-CG2 4.25Å; Q105-T227 PolarHBondContact NE2-OG1 2.8Å; Q105-T227 VanDerWaalsContact NE2-OG1 3.13Å; R223-T227 WeakPolarHBondContact O-CB 3.29Å; R223-T227 PolarHBondContact O-N 3.02Å; R223-T227 PolarHBondContact O-OG1 2.87Å; R223-T227 VanDerWaalsContact O-OG1 3.06Å; T227-E229 PolarHBondContact O-N 3.48Å; T227-L230 PolarHBondContact O-N 3.27Å; T227-L231 HydrophobicContact CG2-CD1 4.03Å; T227-L231 HydrophobicContact CG2-CG 4.29Å; T227-L231 VanDerWaalsContact O-CG 3.28Å; T227-L231 WeakPolarHBondContact O-CG 3.22Å; T227-L231 PolarHBondContact O-N 2.78Å
228R98.1Very high97.2Very high137 Ų13764.1 Ų64.152%0.51731%0.309SS..Hα-helixtrans-57.4-48.6174.7-174.2-171.3-56.8105.82.7112.1N224 N225 R226 L230 L231 L232N224-R228 WeakPolarHBondContact O-CB 3.49Å; N224-R228 PolarHBondContact O-N 3.46Å; N225-R228 WeakPolarHBondContact O-CB 3.48Å; N225-R228 PolarHBondContact O-N 2.87Å; N225-R228 PolarHBondContact OD1-NH1 2.86Å; R226-R228 VanDerWaalsContact C-N 3.31Å; R226-R228 PolarHBondContact O-N 2.72Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 3Å; R228-L231 PolarHBondContact O-N 3.44Å; R228-L232 HydrophobicContact CG-CD1 4.16Å; R228-L232 WeakPolarHBondContact O-CG 3.48Å; R228-L232 PolarHBondContact O-N 2.6Å
229E98Very high97.3Very high108 Ų10867 Ų6751%0.50532%0.315SS..Hα-helixtrans-57.4-44.5177.7-71.2171-178.400112N225 R226 T227 L232 M233N225-E229 WeakPolarHBondContact O-CG 3.37Å; N225-E229 PolarHBondContact O-N 2.8Å; R226-E229 WeakPolarHBondContact CD-OE2 3.47Å; R226-E229 IonicContact CZ-OE2 3.06Å; R226-E229 IonicContact NH1-OE2 3.62Å; R226-E229 PolarHBondContact NH1-OE2 3.36Å; R226-E229 WeakPolarHBondContact O-CB 3.37Å; R226-E229 PolarHBondContact O-N 3.06Å; T227-E229 PolarHBondContact O-N 3.48Å; E229-L232 PolarHBondContact O-N 3.2Å; E229-M233 PolarHBondContact O-N 3.41Å
230L98Very high97.4Very high5 Ų568.6 Ų68.63%0.02632%0.319CS..Hα-helixtrans-68.2-39.4-179.3-66.7172.8000112P101 L102 R226 T227 R228 M233 V234P101-L230 HydrophobicContact CB-CD1 4.1Å; P101-L230 HydrophobicContact CB-CD2 3.66Å; P101-L230 HydrophobicContact CG-CD2 4.33Å; L102-L230 HydrophobicContact CD2-CB 4.35Å; L102-L230 HydrophobicContact CD2-CD1 3.59Å; L102-L230 HydrophobicContact CG-CD1 3.83Å; R226-L230 HydrophobicContact CG-CD1 4.22Å; R226-L230 WeakPolarHBondContact O-CG 3.34Å; R226-L230 PolarHBondContact O-N 2.9Å; T227-L230 PolarHBondContact O-N 3.27Å; R228-L230 VanDerWaalsContact C-N 3.31Å; R228-L230 PolarHBondContact O-N 3Å; L230-M233 WeakPolarHBondContact O-CB 3.5Å; L230-M233 PolarHBondContact O-N 3.32Å; L230-V234 PolarHBondContact O-N 3.02Å; L230-V234 VanDerWaalsContact O-N 3.14Å
231L97.6Very high97.5Very high46 Ų4668.9 Ų68.924%0.24132%0.321CS..Hα-helixtrans-66.4-39.4175.2-67.3178.3000112.1Y31 F35 T227 R228 M233 V234 T235Y31-L231 HydrophobicContact CD1-CD2 4.12Å; Y31-L231 HydrophobicContact CE1-CD1 4.36Å; Y31-L231 HydrophobicContact CE1-CD2 4.32Å; F35-L231 HydrophobicContact CD2-CD2 4.47Å; F35-L231 HydrophobicContact CE2-CD2 3.38Å; F35-L231 HydrophobicContact CZ-CD2 3.8Å; T227-L231 HydrophobicContact CG2-CD1 4.03Å; T227-L231 HydrophobicContact CG2-CG 4.29Å; T227-L231 VanDerWaalsContact O-CG 3.28Å; T227-L231 WeakPolarHBondContact O-CG 3.22Å; T227-L231 PolarHBondContact O-N 2.78Å; R228-L231 PolarHBondContact O-N 3.44Å; L231-M233 VanDerWaalsContact C-N 3.26Å; L231-M233 PolarHBondContact O-N 3.11Å; L231-V234 WeakPolarHBondContact O-CB 3.39Å; L231-V234 PolarHBondContact O-N 2.9Å; L231-T235 PolarHBondContact O-N 3.29Å
232L98.3Very high97.6Very high105 Ų10569 Ų6955%0.5533%0.327SS..Hα-helixtrans-66.3-29.2171.9-70.6173.5000112.2R228 E229 V234 T235 R236R228-L232 HydrophobicContact CG-CD1 4.16Å; R228-L232 WeakPolarHBondContact O-CG 3.48Å; R228-L232 PolarHBondContact O-N 2.6Å; E229-L232 PolarHBondContact O-N 3.2Å; L232-V234 VanDerWaalsContact C-N 3.32Å; L232-T235 PolarHBondContact O-N 3.4Å; L232-T235 PolarHBondContact O-OG1 2.96Å; L232-R236 PolarHBondContact O-N 3.1Å; L232-R236 VanDerWaalsContact O-N 3.09Å
233M97.9Very high97.7Very high47 Ų4766.9 Ų66.923%0.23233%0.325CS..Hα-helixtrans-66.9-35172.4-169.763.4-165.400111.7V98 E229 L230 L231 R236 I237V98-M233 HydrophobicContact CG2-CB 4.06Å; V98-M233 HydrophobicContact CG2-CG 4.04Å; E229-M233 PolarHBondContact O-N 3.41Å; L230-M233 WeakPolarHBondContact O-CB 3.5Å; L230-M233 PolarHBondContact O-N 3.32Å; L231-M233 VanDerWaalsContact C-N 3.26Å; L231-M233 PolarHBondContact O-N 3.11Å; M233-R236 PolarHBondContact O-N 3.14Å; M233-I237 HydrophobicContact CE-CD1 4.04Å; M233-I237 HydrophobicContact CE-CG1 3.88Å; M233-I237 HydrophobicContact CG-CD1 4.11Å; M233-I237 VanDerWaalsContact O-CG1 3.26Å; M233-I237 WeakPolarHBondContact O-CG1 3.33Å; M233-I237 PolarHBondContact O-N 2.81Å
234V98Very high97.7Very high12 Ų1271.7 Ų71.77%0.07335%0.346CS..Hα-helixtrans-59.3-48.6172.9178.10000110.7F35 L94 V98 L230 L231 L232 R236 I237 N238F35-V234 HydrophobicContact CD1-CG1 4.33Å; F35-V234 HydrophobicContact CD1-CG2 4.06Å; F35-V234 HydrophobicContact CE1-CB 4.28Å; F35-V234 HydrophobicContact CE1-CG1 3.65Å; F35-V234 HydrophobicContact CE1-CG2 3.75Å; F35-V234 HydrophobicContact CE2-CG2 4.32Å; F35-V234 HydrophobicContact CG-CG2 4.5Å; F35-V234 HydrophobicContact CZ-CB 4.49Å; F35-V234 HydrophobicContact CZ-CG1 4.23Å; F35-V234 HydrophobicContact CZ-CG2 3.88Å; L94-V234 HydrophobicContact CD1-CG1 4.4Å; L94-V234 HydrophobicContact CD1-CG2 4Å; V98-V234 HydrophobicContact CB-CG2 4.28Å; V98-V234 HydrophobicContact CG1-CG2 3.67Å; V98-V234 HydrophobicContact CG2-CG2 3.85Å; L230-V234 PolarHBondContact O-N 3.02Å; L230-V234 VanDerWaalsContact O-N 3.14Å; L231-V234 WeakPolarHBondContact O-CB 3.39Å; L231-V234 PolarHBondContact O-N 2.9Å; L232-V234 VanDerWaalsContact C-N 3.32Å; V234-R236 VanDerWaalsContact C-N 3.33Å; V234-R236 PolarHBondContact O-N 3.08Å; V234-I237 PolarHBondContact O-N 3.18Å; V234-N238 PolarHBondContact O-N 3.17Å
235T97Very high97.7Very high68 Ų6869.8 Ų69.842%0.41734%0.336SS..Hα-helixtrans-62.2-42.8-179.361.30000111L231 L232 I237 N238 E239L231-T235 PolarHBondContact O-N 3.29Å; L232-T235 PolarHBondContact O-N 3.4Å; L232-T235 PolarHBondContact O-OG1 2.96Å; T235-I237 PolarHBondContact O-N 2.92Å; T235-N238 WeakPolarHBondContact O-CB 3.41Å; T235-N238 PolarHBondContact O-N 3.1Å; T235-E239 WeakPolarHBondContact O-CG 3.38Å; T235-E239 PolarHBondContact O-N 3.05Å
236R98Very high97.8Very high147 Ų14770.7 Ų70.756%0.55534%0.344SS*.Hα-helixtrans-59.7-44175.5-177.6178.4176157.44.6113.1L232 M233 V234 N238 E239 E240L232-R236 PolarHBondContact O-N 3.1Å; L232-R236 VanDerWaalsContact O-N 3.09Å; M233-R236 PolarHBondContact O-N 3.14Å; V234-R236 VanDerWaalsContact C-N 3.33Å; V234-R236 PolarHBondContact O-N 3.08Å; R236-N238 VanDerWaalsContact C-N 3.29Å; R236-N238 PolarHBondContact O-N 2.92Å; R236-E239 PolarHBondContact O-N 3.36Å; R236-E240 IonicContact NE-OE1 2.81Å; R236-E240 WeakPolarHBondContact O-CG 3.45Å; R236-E240 PolarHBondContact O-N 2.93Å
237I98Very high97.8Very high1 Ų168.6 Ų68.61%0.00535%0.346CS..Hα-helixtrans-62.8-40177.4-68.3166.7000110.5S90 K93 L94 V98 M233 V234 T235 T241S90-I237 WeakPolarHBondContact OG-CG2 3.37Å; K93-I237 HydrophobicContact CD-CG1 4.08Å; K93-I237 HydrophobicContact CG-CD1 4Å; K93-I237 HydrophobicContact CG-CG1 4.09Å; L94-I237 HydrophobicContact CD1-CD1 4.4Å; V98-I237 HydrophobicContact CG2-CD1 4.18Å; M233-I237 HydrophobicContact CE-CD1 4.04Å; M233-I237 HydrophobicContact CE-CG1 3.88Å; M233-I237 HydrophobicContact CG-CD1 4.11Å; M233-I237 VanDerWaalsContact O-CG1 3.26Å; M233-I237 WeakPolarHBondContact O-CG1 3.33Å; M233-I237 PolarHBondContact O-N 2.81Å; V234-I237 PolarHBondContact O-N 3.18Å; T235-I237 PolarHBondContact O-N 2.92Å; I237-T241 WeakPolarHBondContact O-CB 3.46Å; I237-T241 PolarHBondContact O-N 3.46Å; I237-T241 PolarHBondContact O-OG1 2.99Å
238N96.9Very high97.8Very high67 Ų6768.3 Ų68.336%0.35834%0.344SS..Hα-helixtrans-65.9-44.2177.5-73.2-17.6000112V234 T235 R236 E240 T241 I242V234-N238 PolarHBondContact O-N 3.17Å; T235-N238 WeakPolarHBondContact O-CB 3.41Å; T235-N238 PolarHBondContact O-N 3.1Å; R236-N238 VanDerWaalsContact C-N 3.29Å; R236-N238 PolarHBondContact O-N 2.92Å; N238-E240 PolarHBondContact O-N 3.26Å; N238-T241 WeakPolarHBondContact O-CB 3.44Å; N238-T241 PolarHBondContact O-N 3.27Å; N238-T241 VanDerWaalsContact O-N 3.15Å; N238-I242 VanDerWaalsContact O-CG1 3.3Å; N238-I242 WeakPolarHBondContact O-CG1 3.49Å; N238-I242 PolarHBondContact O-N 3.25Å
239E97.8Very high97.7Very high128 Ų12866.1 Ų66.160%0.59834%0.343SS*.Hα-helixtrans-59.2-46.2175.6-73.6171.4178.800112.3T235 R236 T241 I242 S243T235-E239 WeakPolarHBondContact O-CG 3.38Å; T235-E239 PolarHBondContact O-N 3.05Å; R236-E239 PolarHBondContact O-N 3.36Å; E239-T241 VanDerWaalsContact C-N 3.26Å; E239-T241 PolarHBondContact O-N 2.94Å; E239-I242 PolarHBondContact O-N 3.41Å; E239-S243 PolarHBondContact O-N 3.44Å
240E97.4Very high97.7Very high69 Ų6967.2 Ų67.232%0.32235%0.346SS..Hα-helixtrans-60.2-37.5175.4-71.3176.3-163.800111.9K93 R236 N238 K244K93-E240 VanDerWaalsContact NZ-CD 3.26Å; K93-E240 IonicContact NZ-OE1 3.19Å; K93-E240 PolarHBondContact NZ-OE1 3.09Å; K93-E240 VanDerWaalsContact NZ-OE1 3.11Å; K93-E240 IonicContact NZ-OE2 3.06Å; K93-E240 PolarHBondContact NZ-OE2 2.71Å; R236-E240 IonicContact NE-OE1 2.81Å; R236-E240 WeakPolarHBondContact O-CG 3.45Å; R236-E240 PolarHBondContact O-N 2.93Å; N238-E240 PolarHBondContact O-N 3.26Å; E240-K244 PolarHBondContact O-N 2.88Å
241T97.7Very high97.7Very high12 Ų1270.1 Ų70.17%0.07436%0.361CS..Hα-helixtrans-66-50.5176.5-54.20000110.3T86 S90 I237 N238 E239 S243 K244 L245T86-T241 HydrophobicContact CG2-CG2 3.92Å; S90-T241 VanDerWaalsContact CB-OG1 3.26Å; S90-T241 WeakPolarHBondContact CB-OG1 3.42Å; S90-T241 PolarHBondContact OG-OG1 3.36Å; I237-T241 WeakPolarHBondContact O-CB 3.46Å; I237-T241 PolarHBondContact O-N 3.46Å; I237-T241 PolarHBondContact O-OG1 2.99Å; N238-T241 WeakPolarHBondContact O-CB 3.44Å; N238-T241 PolarHBondContact O-N 3.27Å; N238-T241 VanDerWaalsContact O-N 3.15Å; E239-T241 VanDerWaalsContact C-N 3.26Å; E239-T241 PolarHBondContact O-N 2.94Å; T241-S243 VanDerWaalsContact C-N 3.27Å; T241-S243 PolarHBondContact O-N 3.38Å; T241-K244 PolarHBondContact O-N 3.06Å; T241-K244 VanDerWaalsContact O-N 3.11Å; T241-L245 HydrophobicContact CG2-CD1 4.2Å; T241-L245 HydrophobicContact CG2-CG 4.43Å; T241-L245 WeakPolarHBondContact O-CG 3.44Å; T241-L245 PolarHBondContact O-N 3.33Å
242I98Very high97.7Very high104 Ų10469.6 Ų69.653%0.53336%0.358SS..Hα-helixtrans-57.6-40.9178.5-69.5164.2000111.2N238 E239 K244 L245 T246N238-I242 VanDerWaalsContact O-CG1 3.3Å; N238-I242 WeakPolarHBondContact O-CG1 3.49Å; N238-I242 PolarHBondContact O-N 3.25Å; E239-I242 PolarHBondContact O-N 3.41Å; I242-K244 VanDerWaalsContact C-N 3.34Å; I242-K244 PolarHBondContact O-N 3.08Å; I242-L245 PolarHBondContact O-N 3.47Å; I242-T246 WeakPolarHBondContact O-CB 3.33Å; I242-T246 PolarHBondContact O-N 3.2Å; I242-T246 PolarHBondContact O-OG1 3.48Å
243S98.1Very high97.6Very high80 Ų8067.9 Ų67.956%0.55936%0.355SS*.Hα-helixtrans-60.3-43.3177.2-176.30000112E239 T241 S247E239-S243 PolarHBondContact O-N 3.44Å; T241-S243 VanDerWaalsContact C-N 3.27Å; T241-S243 PolarHBondContact O-N 3.38Å; S243-S247 PolarHBondContact O-N 3.47Å; S243-S247 VanDerWaalsContact O-N 3.1Å
244K97.6Very high97.5Very high108 Ų10870 Ų7047%0.4737%0.365SS..Hα-helixtrans-67-44.6177.4-71.4179.2179-173.50111.8T86 E240 T241 I242 T246 S247 C248T86-K244 HydrophobicContact CG2-CB 3.87Å; T86-K244 HydrophobicContact CG2-CD 4Å; E240-K244 PolarHBondContact O-N 2.88Å; T241-K244 PolarHBondContact O-N 3.06Å; T241-K244 VanDerWaalsContact O-N 3.11Å; I242-K244 VanDerWaalsContact C-N 3.34Å; I242-K244 PolarHBondContact O-N 3.08Å; K244-T246 VanDerWaalsContact C-N 3.31Å; K244-T246 PolarHBondContact O-N 2.91Å; K244-S247 WeakPolarHBondContact O-CA 3.18Å; K244-S247 WeakPolarHBondContact O-CB 3.32Å; K244-S247 PolarHBondContact O-N 3.48Å; K244-S247 VanDerWaalsContact O-N 3.09Å; K244-C248 PolarHBondContact O-N 3.27Å; K244-C248 PolarHBondContact O-SG 2.89Å
245L97.9Very high97.4Very high35 Ų3570.1 Ų70.118%0.18337%0.366CS..Hα-helixtrans-61-41.2177.4-63.1-178.7000111.7I83 T86 T241 I242 S247 C248 N249I83-L245 HydrophobicContact CB-CD2 4.04Å; I83-L245 HydrophobicContact CG1-CD2 3.87Å; I83-L245 HydrophobicContact CG2-CD2 3.71Å; T86-L245 HydrophobicContact CG2-CD2 4.06Å; T86-L245 HydrophobicContact CG2-CG 4.4Å; T241-L245 HydrophobicContact CG2-CD1 4.2Å; T241-L245 HydrophobicContact CG2-CG 4.43Å; T241-L245 WeakPolarHBondContact O-CG 3.44Å; T241-L245 PolarHBondContact O-N 3.33Å; I242-L245 PolarHBondContact O-N 3.47Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.33Å; L245-C248 PolarHBondContact O-N 3.45Å; L245-N249 PolarHBondContact O-N 3.28Å; L245-N249 PolarHBondContact O-ND2 2.85Å
246T98.1Very high97.3Very high84 Ų8470.2 Ų70.252%0.51537%0.367SS..Hα-helixtrans-59.8-41.6173.5-57.10000111.5I242 K244 N249 K250I242-T246 WeakPolarHBondContact O-CB 3.33Å; I242-T246 PolarHBondContact O-N 3.2Å; I242-T246 PolarHBondContact O-OG1 3.48Å; K244-T246 VanDerWaalsContact C-N 3.31Å; K244-T246 PolarHBondContact O-N 2.91Å; T246-N249 PolarHBondContact O-N 3.06Å; T246-K250 PolarHBondContact O-N 3.15Å
247S97.7Very high97.2Very high64 Ų6467.8 Ų67.845%0.44837%0.373SS..Hα-helixtrans-63-44175-169.20000112.4S243 K244 L245 N249 K250 L251S243-S247 PolarHBondContact O-N 3.47Å; S243-S247 VanDerWaalsContact O-N 3.1Å; K244-S247 WeakPolarHBondContact O-CA 3.18Å; K244-S247 WeakPolarHBondContact O-CB 3.32Å; K244-S247 PolarHBondContact O-N 3.48Å; K244-S247 VanDerWaalsContact O-N 3.09Å; L245-S247 VanDerWaalsContact C-N 3.31Å; L245-S247 PolarHBondContact O-N 3.33Å; S247-N249 VanDerWaalsContact C-N 3.35Å; S247-N249 PolarHBondContact O-N 2.97Å; S247-K250 WeakPolarHBondContact O-CB 3.48Å; S247-K250 PolarHBondContact O-N 2.86Å; S247-L251 WeakPolarHBondContact O-CG 3.27Å; S247-L251 PolarHBondContact O-N 3.05Å; S247-L251 VanDerWaalsContact O-N 3.09Å
248C97.6Very high96.9Very high7 Ų770.7 Ų70.75%0.04740%0.397CS..Hα-helixtrans-59.5-45.8175.1-67.10000111.4Q79 I83 K244 L245 K250 L251 I252Q79-C248 HydrophobicContact CB-CB 4.47Å; I83-C248 HydrophobicContact CD1-CB 4.4Å; I83-C248 HydrophobicContact CG1-CB 4Å; K244-C248 PolarHBondContact O-N 3.27Å; K244-C248 PolarHBondContact O-SG 2.89Å; L245-C248 PolarHBondContact O-N 3.45Å; C248-K250 VanDerWaalsContact C-N 3.32Å; C248-K250 PolarHBondContact O-N 3.46Å; C248-L251 PolarHBondContact O-N 3.36Å; C248-I252 WeakPolarHBondContact O-CG1 3.44Å; C248-I252 PolarHBondContact O-N 2.89Å
249N97.2Very high96.7Very high92 Ų9271.4 Ų71.449%0.49240%0.4SS..Hα-helixtrans-62.8-37.8177.8-72.6-22.9000112.4L245 T246 S247 I252 S253L245-N249 PolarHBondContact O-N 3.28Å; L245-N249 PolarHBondContact O-ND2 2.85Å; T246-N249 PolarHBondContact O-N 3.06Å; S247-N249 VanDerWaalsContact C-N 3.35Å; S247-N249 PolarHBondContact O-N 2.97Å; N249-I252 PolarHBondContact O-N 2.8Å; N249-S253 PolarHBondContact O-N 2.73Å
250K97.8Very high96.5Very high130 Ų13068.9 Ų68.957%0.56539%0.39SS*.Hα-helixtrans-60.8-47.5174.5-170.3-171.1-179.4-154.10111.3T246 S247 C248 I252 S253 E254T246-K250 PolarHBondContact O-N 3.15Å; S247-K250 WeakPolarHBondContact O-CB 3.48Å; S247-K250 PolarHBondContact O-N 2.86Å; C248-K250 VanDerWaalsContact C-N 3.32Å; C248-K250 PolarHBondContact O-N 3.46Å; K250-I252 VanDerWaalsContact C-N 3.32Å; K250-I252 PolarHBondContact O-N 3.24Å; K250-S253 WeakPolarHBondContact O-CB 3.25Å; K250-S253 PolarHBondContact O-N 3.24Å; K250-S253 VanDerWaalsContact O-N 3.15Å; K250-E254 WeakPolarHBondContact CE-OE1 3.39Å; K250-E254 IonicContact NZ-OE1 3.18Å; K250-E254 PolarHBondContact NZ-OE1 2.82Å; K250-E254 WeakPolarHBondContact O-CG 3.13Å; K250-E254 PolarHBondContact O-N 2.91Å
251L97.2Very high96.2Very high66 Ų6670.1 Ų70.135%0.34641%0.407SS..Hα-helixtrans-64.2-36.6177.9-67172.5000112.2Q79 S247 C248 E254 A255Q79-L251 HydrophobicContact CG-CB 4.11Å; Q79-L251 VanDerWaalsContact NE2-CD1 3.3Å; S247-L251 WeakPolarHBondContact O-CG 3.27Å; S247-L251 PolarHBondContact O-N 3.05Å; S247-L251 VanDerWaalsContact O-N 3.09Å; C248-L251 PolarHBondContact O-N 3.36Å; L251-E254 PolarHBondContact O-N 3.18Å; L251-A255 WeakPolarHBondContact O-CB 3.26Å; L251-A255 PolarHBondContact O-N 3.19Å
252I97.1Very high95.9Very high35 Ų3573.8 Ų73.818%0.17943%0.433CS..Hα-helixtrans-61.6-47.6171.8-69.1168.7000110.2I76 Q79 I80 C248 N249 K250 E254 A255 V256I76-I252 HydrophobicContact CD1-CG2 4.41Å; I76-I252 HydrophobicContact CG1-CG2 4.21Å; I76-I252 HydrophobicContact CG2-CG1 4.36Å; I76-I252 HydrophobicContact CG2-CG2 4.44Å; Q79-I252 HydrophobicContact CB-CD1 3.86Å; Q79-I252 HydrophobicContact CB-CG1 3.62Å; Q79-I252 HydrophobicContact CG-CG1 4.02Å; I80-I252 HydrophobicContact CG1-CD1 4.28Å; C248-I252 WeakPolarHBondContact O-CG1 3.44Å; C248-I252 PolarHBondContact O-N 2.89Å; N249-I252 PolarHBondContact O-N 2.8Å; K250-I252 VanDerWaalsContact C-N 3.32Å; K250-I252 PolarHBondContact O-N 3.24Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.27Å; I252-A255 PolarHBondContact O-N 2.97Å; I252-V256 HydrophobicContact CG2-CG2 4.42Å; I252-V256 WeakPolarHBondContact O-CG2 3.34Å; I252-V256 PolarHBondContact O-N 3.49Å
253S97.4Very high95.6Very high70 Ų7073.2 Ų73.249%0.4943%0.425SS..Hα-helixtrans-61.8-40.4178.6-170.40000112.5N249 K250 V256 S257N249-S253 PolarHBondContact O-N 2.73Å; K250-S253 WeakPolarHBondContact O-CB 3.25Å; K250-S253 PolarHBondContact O-N 3.24Å; K250-S253 VanDerWaalsContact O-N 3.15Å; S253-V256 PolarHBondContact O-N 3.38Å; S253-S257 WeakPolarHBondContact O-CB 3.33Å; S253-S257 PolarHBondContact O-N 3.44Å; S253-S257 PolarHBondContact O-OG 3.49Å
254E96Very high95.4Very high92 Ų9270.3 Ų70.343%0.4340%0.403SS..Hα-helixtrans-63.3-44.7175-72.6171.4-170.500110.8K250 L251 I252 V256 S257 A258K250-E254 WeakPolarHBondContact CE-OE1 3.39Å; K250-E254 IonicContact NZ-OE1 3.18Å; K250-E254 PolarHBondContact NZ-OE1 2.82Å; K250-E254 WeakPolarHBondContact O-CG 3.13Å; K250-E254 PolarHBondContact O-N 2.91Å; L251-E254 PolarHBondContact O-N 3.18Å; I252-E254 VanDerWaalsContact C-N 3.34Å; I252-E254 PolarHBondContact O-N 3.27Å; E254-V256 PolarHBondContact O-N 2.95Å; E254-S257 PolarHBondContact O-N 3.25Å; E254-A258 PolarHBondContact O-N 2.97Å
255A94.8Very high95.1Very high13 Ų1368.1 Ų68.111%0.10740%0.401CS..Hα-helixtrans-64.2-37.5176.700000113T72 I76 L251 I252 A258T72-A255 HydrophobicContact CG2-CB 4.3Å; T72-A255 WeakPolarHBondContact CG2-O 3.36Å; T72-A255 PolarHBondContact OG1-O 3.35Å; I76-A255 HydrophobicContact CG1-CB 4.07Å; L251-A255 WeakPolarHBondContact O-CB 3.26Å; L251-A255 PolarHBondContact O-N 3.19Å; I252-A255 PolarHBondContact O-N 2.97Å; A255-A258 PolarHBondContact O-N 2.96Å
256V95.9Very high94.8Very high71 Ų7169 Ų6943%0.4341%0.414SS..Hα-helixtrans-67.9-41.1174172.10000110.8I76 I252 S253 E254 A258 L259I76-V256 HydrophobicContact CD1-CG2 3.74Å; I252-V256 HydrophobicContact CG2-CG2 4.42Å; I252-V256 WeakPolarHBondContact O-CG2 3.34Å; I252-V256 PolarHBondContact O-N 3.49Å; S253-V256 PolarHBondContact O-N 3.38Å; E254-V256 PolarHBondContact O-N 2.95Å; V256-A258 PolarHBondContact O-N 3.24Å; V256-L259 HydrophobicContact CG1-CD1 4.44Å; V256-L259 VanDerWaalsContact O-CB 3.28Å; V256-L259 WeakPolarHBondContact O-CB 3.5Å; V256-L259 WeakPolarHBondContact O-CG 3.43Å; V256-L259 PolarHBondContact O-N 3.42Å; V256-L259 VanDerWaalsContact O-N 3.1Å
257S94.9Very high94.4Very high96 Ų9666.1 Ų66.167%0.67139%0.394SS*.Hα-helixtrans-67.2-22.4178.5-55.50000112.8S253 E254 L259S253-S257 WeakPolarHBondContact O-CB 3.33Å; S253-S257 PolarHBondContact O-N 3.44Å; S253-S257 PolarHBondContact O-OG 3.49Å; E254-S257 PolarHBondContact O-N 3.25Å; S257-L259 VanDerWaalsContact C-N 3.29Å
258A92.5Very high94.2Very high62 Ų6266 Ų6651%0.51239%0.39SS..THydrogen-bonded Turntrans-80.1-4.3174.600000114E254 A255 V256 D260E254-A258 PolarHBondContact O-N 2.97Å; A255-A258 PolarHBondContact O-N 2.96Å; V256-A258 PolarHBondContact O-N 3.24Å; A258-D260 PolarHBondContact O-N 3.09Å
259L92.9Very high93.9Very high82 Ų8270.4 Ų70.443%0.42941%0.413SS..  trans-66119.8172.5-74.6169.8000110T72 V256 S257T72-L259 HydrophobicContact CG2-CD1 4.04Å; T72-L259 HydrophobicContact CG2-CD2 3.91Å; T72-L259 HydrophobicContact CG2-CG 3.83Å; T72-L259 VanDerWaalsContact OG1-CD2 3.25Å; T72-L259 WeakPolarHBondContact OG1-CD2 3.49Å; T72-L259 WeakPolarHBondContact OG1-CG 3.43Å; V256-L259 HydrophobicContact CG1-CD1 4.44Å; V256-L259 VanDerWaalsContact O-CB 3.28Å; V256-L259 WeakPolarHBondContact O-CB 3.5Å; V256-L259 WeakPolarHBondContact O-CG 3.43Å; V256-L259 PolarHBondContact O-N 3.42Å; V256-L259 VanDerWaalsContact O-N 3.1Å; S257-L259 VanDerWaalsContact C-N 3.29Å
260D92.6Very high93.5Very high74 Ų7475 Ų7540%0.39643%0.428SS..  trans-129.4105.1-179.3-176.9-10.5000110.3S68 A258 S262 Y263 D264S68-D260 PolarHBondContact OG-N 3.32Å; S68-D260 PolarHBondContact OG-O 3.01Å; A258-D260 PolarHBondContact O-N 3.09Å; D260-S262 VanDerWaalsContact C-N 3.31Å; D260-S262 PolarHBondContact O-N 2.79Å; D260-S262 WeakPolarHBondContact OD1-CA 3.42Å; D260-S262 WeakPolarHBondContact OD1-CB 3.1Å; D260-S262 PolarHBondContact OD1-N 2.82Å; D260-Y263 VanDerWaalsContact CG-CB 3.43Å; D260-Y263 PolarHBondContact O-N 3.1Å; D260-Y263 PolarHBondContact OD1-N 3.29Å; D260-Y263 WeakPolarHBondContact OD2-CB 3.45Å; D260-D264 WeakPolarHBondContact O-CB 3.37Å; D260-D264 PolarHBondContact O-N 3.42Å
261S91.4Very high93.1Very high95 Ų9574.9 Ų74.966%0.66442%0.424SS*.Hα-helixtrans-64.8-33.3177.4177.50000112.8S265S261-S265 VanDerWaalsContact O-CB 3.28Å; S261-S265 WeakPolarHBondContact O-CB 3.45Å; S261-S265 PolarHBondContact O-N 3Å
262S90.5Very high92.8Very high89 Ų8978 Ų7862%0.62244%0.44SS*.Hα-helixtrans-71.2-43.7179-173.90000110.5D260 S265 A266D260-S262 VanDerWaalsContact C-N 3.31Å; D260-S262 PolarHBondContact O-N 2.79Å; D260-S262 WeakPolarHBondContact OD1-CA 3.42Å; D260-S262 WeakPolarHBondContact OD1-CB 3.1Å; D260-S262 PolarHBondContact OD1-N 2.82Å; S262-S265 PolarHBondContact O-N 3.43Å; S262-A266 WeakPolarHBondContact O-CB 3.31Å; S262-A266 PolarHBondContact O-N 3.4Å
263Y91.9Very high92.4Very high93 Ų9381.9 Ų81.937%0.36546%0.457SS..Hα-helixtrans-60.4-47.5173.3179-101.5000112D260 S265 A266 K267D260-Y263 VanDerWaalsContact CG-CB 3.43Å; D260-Y263 PolarHBondContact O-N 3.1Å; D260-Y263 PolarHBondContact OD1-N 3.29Å; D260-Y263 WeakPolarHBondContact OD2-CB 3.45Å; Y263-S265 PolarHBondContact O-N 2.95Å; Y263-A266 PolarHBondContact O-N 3.41Å; Y263-K267 HydrophobicContact CD1-CD 4.28Å; Y263-K267 HydrophobicContact CE1-CD 3.66Å; Y263-K267 VanDerWaalsContact CE1-CE 3.43Å; Y263-K267 HydrophobicContact CE1-CG 4.34Å; Y263-K267 VanDerWaalsContact CZ-NZ 3.31Å; Y263-K267 PolarHBondContact O-N 2.95Å; Y263-K267 WeakPolarHBondContact OH-CE 3.45Å; Y263-K267 PolarHBondContact OH-NZ 3.44Å
264D94Very high91.9Very high19 Ų1983.4 Ų83.410%0.10246%0.464CS..Hα-helixtrans-59.3-47.7177.5-81.514.5000111L67 S68 S69 D260 A266 K267 V268L67-D264 HydrophobicContact CD2-CB 3.98Å; S68-D264 WeakPolarHBondContact CA-OD1 3.41Å; S68-D264 VanDerWaalsContact CB-OD1 3.26Å; S68-D264 WeakPolarHBondContact CB-OD1 3.21Å; S68-D264 PolarHBondContact N-OD1 3.23Å; S68-D264 PolarHBondContact OG-OD1 3.25Å; S68-D264 PolarHBondContact OG-OD2 2.96Å; S69-D264 WeakPolarHBondContact CB-OD2 3.49Å; S69-D264 PolarHBondContact N-OD2 3.35Å; S69-D264 PolarHBondContact OG-OD2 3Å; D260-D264 WeakPolarHBondContact O-CB 3.37Å; D260-D264 PolarHBondContact O-N 3.42Å; D264-A266 PolarHBondContact O-N 3.09Å; D264-K267 PolarHBondContact O-N 3.46Å; D264-V268 WeakPolarHBondContact O-CG2 3.48Å; D264-V268 PolarHBondContact O-N 2.89Å
265S91.4Very high91.2Very high61 Ų6183.7 Ų83.743%0.42747%0.469SS..Hα-helixtrans-60.6-43.7176.9-174.30000112.1S261 S262 Y263 K267 V268 I269S261-S265 VanDerWaalsContact O-CB 3.28Å; S261-S265 WeakPolarHBondContact O-CB 3.45Å; S261-S265 PolarHBondContact O-N 3Å; S262-S265 PolarHBondContact O-N 3.43Å; Y263-S265 PolarHBondContact O-N 2.95Å; S265-K267 VanDerWaalsContact C-N 3.34Å; S265-K267 PolarHBondContact O-N 3.49Å; S265-V268 PolarHBondContact O-N 3.03Å; S265-I269 WeakPolarHBondContact O-CG1 3.34Å; S265-I269 PolarHBondContact O-N 3.47Å
266A91.9Very high90.7Very high54 Ų5486.5 Ų86.545%0.44648%0.479SS..Hα-helixtrans-64.8-38.6178.200000111.8S262 Y263 D264 I269 K270S262-A266 WeakPolarHBondContact O-CB 3.31Å; S262-A266 PolarHBondContact O-N 3.4Å; Y263-A266 PolarHBondContact O-N 3.41Å; D264-A266 PolarHBondContact O-N 3.09Å; A266-I269 PolarHBondContact O-N 3.43Å; A266-K270 WeakPolarHBondContact O-CB 3.43Å; A266-K270 PolarHBondContact O-N 3.29Å
267K90.7Very high90.1Very high23 Ų2384.1 Ų84.110%0.146%0.463CS..Hα-helixtrans-64.3-42173.4-88.2-166171.2174.20112.5D65 E66 Y263 D264 S265 I269 K270 R271D65-K267 VanDerWaalsContact CA-NZ 3.28Å; D65-K267 WeakPolarHBondContact O-CE 3.31Å; D65-K267 PolarHBondContact O-NZ 2.69Å; E66-K267 PolarHBondContact O-NZ 2.6Å; Y263-K267 HydrophobicContact CD1-CD 4.28Å; Y263-K267 HydrophobicContact CE1-CD 3.66Å; Y263-K267 VanDerWaalsContact CE1-CE 3.43Å; Y263-K267 HydrophobicContact CE1-CG 4.34Å; Y263-K267 VanDerWaalsContact CZ-NZ 3.31Å; Y263-K267 PolarHBondContact O-N 2.95Å; Y263-K267 WeakPolarHBondContact OH-CE 3.45Å; Y263-K267 PolarHBondContact OH-NZ 3.44Å; D264-K267 PolarHBondContact O-N 3.46Å; S265-K267 VanDerWaalsContact C-N 3.34Å; S265-K267 PolarHBondContact O-N 3.49Å; K267-I269 VanDerWaalsContact C-N 3.34Å; K267-K270 PolarHBondContact O-N 3.26Å; K267-R271 WeakPolarHBondContact O-CB 3.38Å; K267-R271 VanDerWaalsContact O-CG 3.31Å; K267-R271 WeakPolarHBondContact O-CG 3.47Å; K267-R271 PolarHBondContact O-N 3.01Å
268V92.8Very high89.6Confident62 Ų6283.8 Ų83.838%0.37646%0.459SS..Hα-helixtrans-60.3-46.4175.7172.10000110.2L67 D264 S265 K270 R271 L272L67-V268 HydrophobicContact CD2-CG2 3.95Å; D264-V268 WeakPolarHBondContact O-CG2 3.48Å; D264-V268 PolarHBondContact O-N 2.89Å; S265-V268 PolarHBondContact O-N 3.03Å; V268-K270 PolarHBondContact O-N 3.35Å; V268-R271 PolarHBondContact O-N 2.75Å; V268-L272 HydrophobicContact CG1-CD1 3.83Å; V268-L272 HydrophobicContact CG1-CG 4.46Å; V268-L272 WeakPolarHBondContact O-CB 3.44Å; V268-L272 PolarHBondContact O-N 3.41Å
269I90.5Very high89.3Confident100 Ų10083.4 Ų83.451%0.51345%0.452SS..Hα-helixtrans-58.1-51.3174.7-66165.9000109.9S265 A266 K267 R271 L272 H273S265-I269 WeakPolarHBondContact O-CG1 3.34Å; S265-I269 PolarHBondContact O-N 3.47Å; A266-I269 PolarHBondContact O-N 3.43Å; K267-I269 VanDerWaalsContact C-N 3.34Å; I269-R271 VanDerWaalsContact C-N 3.26Å; I269-R271 PolarHBondContact O-N 2.73Å; I269-L272 PolarHBondContact O-N 3.45Å; I269-H273 HydrophobicContact CG2-CB 4.3Å; I269-H273 WeakPolarHBondContact O-CB 3.42Å; I269-H273 PolarHBondContact O-N 2.81Å
270K90Very high88.6Confident187 Ų18779.8 Ų79.881%0.81343%0.433SS*.Hα-helixtrans-58.5-35.5-179.9-172.1-178.4178.4-174.50113.3A266 K267 V268A266-K270 WeakPolarHBondContact O-CB 3.43Å; A266-K270 PolarHBondContact O-N 3.29Å; K267-K270 PolarHBondContact O-N 3.26Å; V268-K270 PolarHBondContact O-N 3.35Å
271R89.7Confident87.8Confident129 Ų12982.4 Ų82.449%0.48745%0.447SS..Hα-helixtrans-79.6-34.8-179.2-73.3177.1-179.4-172.8-2.9113.1D65 E66 K267 V268 I269D65-R271 PolarHBondContact O-NH2 3.06Å; E66-R271 IonicContact OE2-CZ 3.94Å; E66-R271 IonicContact OE2-NH1 3.75Å; E66-R271 PolarHBondContact OE2-NH1 2.82Å; E66-R271 IonicContact OE2-NH2 2.75Å; E66-R271 PolarHBondContact OE2-NH2 2.72Å; K267-R271 WeakPolarHBondContact O-CB 3.38Å; K267-R271 VanDerWaalsContact O-CG 3.31Å; K267-R271 WeakPolarHBondContact O-CG 3.47Å; K267-R271 PolarHBondContact O-N 3.01Å; V268-R271 PolarHBondContact O-N 2.75Å; I269-R271 VanDerWaalsContact C-N 3.26Å; I269-R271 PolarHBondContact O-N 2.73Å
272L90.9Very high87.2Confident131 Ų13181.4 Ų81.469%0.68643%0.434SS*.Hα-helixtrans-110.7-11.5-169.6-60.4-177.6000114.6V268 I269 T274V268-L272 HydrophobicContact CG1-CD1 3.83Å; V268-L272 HydrophobicContact CG1-CG 4.46Å; V268-L272 WeakPolarHBondContact O-CB 3.44Å; V268-L272 PolarHBondContact O-N 3.41Å; I269-L272 PolarHBondContact O-N 3.45Å; L272-T274 PolarHBondContact O-N 3.32Å
273H87.9Confident86.3Confident116 Ų11678.5 Ų78.554%0.53741%0.413SS..  trans-65.5125178.2-170.3-95.2000110.5I269 D275I269-H273 HydrophobicContact CG2-CB 4.3Å; I269-H273 WeakPolarHBondContact O-CB 3.42Å; I269-H273 PolarHBondContact O-N 2.81Å; H273-D275 IonicContact CE1-OD1 2.79Å; H273-D275 PolarHBondContact CE1-OD1 2.78Å; H273-D275 PolarHBondContact ND1-N 3.24Å; H273-D275 IonicContact ND1-OD1 3.58Å; H273-D275 PolarHBondContact ND1-OD1 3.38Å
274T85.9Confident85.5Confident102 Ų10281 Ų8163%0.62643%0.426SS*.  trans-104.1-0-173.753.40000114.1L272 E276L272-T274 PolarHBondContact O-N 3.32Å; T274-E276 PolarHBondContact O-N 3.27Å
275D82.9Confident84.4Confident99 Ų9982.1 Ų82.153%0.52943%0.432SS..  trans57.64.4-172-57.1-31.8000115.2H273H273-D275 IonicContact CE1-OD1 2.79Å; H273-D275 PolarHBondContact CE1-OD1 2.78Å; H273-D275 PolarHBondContact ND1-N 3.24Å; H273-D275 IonicContact ND1-OD1 3.58Å; H273-D275 PolarHBondContact ND1-OD1 3.38Å
276E84.4Confident83.4Confident72 Ų7280.6 Ų80.634%0.33642%0.419SS..EExtended strand (participates in β ladder)trans-72.9130176.2-71.1-71.715500109.9T274 S361T274-E276 PolarHBondContact O-N 3.27Å; E276-S361 WeakPolarHBondContact OE2-CB 3.46Å; E276-S361 PolarHBondContact OE2-OG 3.34Å
277Q83.1Confident82.4Confident20 Ų2082.8 Ų82.89%0.09342%0.423CS..EExtended strand (participates in β ladder)trans-94.8153.9175.6-56.4-63.5-41.800110.9S361 I362 I364 H429Q277-S361 WeakPolarHBondContact O-CA 3.5Å; Q277-S361 WeakPolarHBondContact O-CB 3.45Å; Q277-I362 WeakPolarHBondContact CA-O 3.35Å; Q277-I362 WeakPolarHBondContact CB-O 3.41Å; Q277-I362 WeakPolarHBondContact CG-O 3.49Å; Q277-I362 PolarHBondContact N-O 3.15Å; Q277-I362 PolarHBondContact O-N 3.06Å; Q277-I364 HydrophobicContact CG-CB 4.33Å; Q277-H429 VanDerWaalsContact CD-CE1 3.48Å; Q277-H429 PolarHBondContact OE1-CE1 2.76Å; Q277-H429 PolarHBondContact OE1-NE2 3.14Å; Q277-H429 VanDerWaalsContact OE1-NE2 3.1Å
278P84.8Confident81.4Confident90 Ų9089.2 Ų89.258%0.58446%0.458SS*.PPolyproline II helixtrans-51151.3172.1-25.133.8000111.5R375P278-R375 PolarHBondContact O-NH2 2.94Å
279P84.4Confident80.2Confident54 Ų5490.5 Ų90.535%0.35146%0.459SS..PPolyproline II helixtrans-54.2142.2176.2-24.634.2000111.9S358 I359 K360P279-S358 WeakPolarHBondContact CB-O 3.42Å; P279-I359 WeakPolarHBondContact CG-O 3.12Å; P279-K360 WeakPolarHBondContact CA-O 3.39Å; P279-K360 WeakPolarHBondContact CB-O 3.33Å
280A78.5Confident79Confident6 Ų686.3 Ų86.35%0.0544%0.438CS..PPolyproline II helixtrans-71143175.500000110.4S358 I362 Q371A280-S358 WeakPolarHBondContact O-CA 3.44Å; A280-S358 PolarHBondContact O-N 2.67Å; A280-I362 HydrophobicContact CB-CD1 3.6Å; A280-Q371 HydrophobicContact CB-CG 4.08Å
281D76.9Confident78Confident128 Ų12880.1 Ų80.168%0.68442%0.417SS*.PPolyproline II helixtrans-53.7145.3176.2-65.1-18.6000110.9P283D281-P283 WeakPolarHBondContact O-CD 3.31Å
282L78.8Confident76.8Confident75 Ų7578.9 Ų78.939%0.39343%0.426SS..  trans-70.8114.5175-174.676.4000109P352 F353 I357L282-P352 HydrophobicContact CD1-CB 4.44Å; L282-P352 VanDerWaalsContact CD1-O 3.25Å; L282-P352 WeakPolarHBondContact CD1-O 3.46Å; L282-P352 HydrophobicContact CD2-CB 3.65Å; L282-P352 HydrophobicContact CD2-CG 4.29Å; L282-F353 HydrophobicContact CD1-CD1 4.47Å; L282-I357 HydrophobicContact CD1-CG2 4.48Å
283P71.8Confident75.6Confident27 Ų2775.5 Ų75.518%0.17542%0.422CS..  trans-70.1145176.429.2-34.8000110.8D281 L285 I306D281-P283 WeakPolarHBondContact O-CD 3.31Å; P283-L285 PolarHBondContact O-N 3.23Å; P283-I306 HydrophobicContact CB-CG2 4.21Å; P283-I306 HydrophobicContact CG-CG2 3.11Å
284F73.1Confident74.5Confident146 Ų14671.8 Ų71.864%0.6441%0.406SS*.  trans-64.4132173.4-179.4-104.8000110.6D286F284-D286 HydrophobicContact CD1-CB 4.37Å; F284-D286 HydrophobicContact CE1-CB 3.76Å
285L71.9Confident73.5Confident42 Ų4270.1 Ų70.122%0.2239%0.393CS..  trans-109.8104.2176.6-179.465000109P283 L287 L302 I306 I354 L456P283-L285 PolarHBondContact O-N 3.23Å; L285-L287 HydrophobicContact CD2-CD2 3.8Å; L285-L287 HydrophobicContact CG-CD2 4Å; L285-L287 PolarHBondContact O-N 2.96Å; L285-L302 HydrophobicContact CD1-CD1 4.29Å; L285-I306 HydrophobicContact CD1-CD1 4.35Å; L285-I306 HydrophobicContact CD1-CG1 4.09Å; L285-I354 HydrophobicContact CD2-CD1 4.32Å; L285-L456 HydrophobicContact CD1-CD1 4.37Å
286D71.3Confident72.6Confident29 Ų2971.7 Ų71.716%0.15540%0.401CS..  trans-79.699172.9-164.6-9.1000109.6F284 D288 K289 C290 L456F284-D286 HydrophobicContact CD1-CB 4.37Å; F284-D286 HydrophobicContact CE1-CB 3.76Å; D286-D288 PolarHBondContact O-N 3.42Å; D286-D288 PolarHBondContact OD1-N 2.96Å; D286-K289 PolarHBondContact O-N 3.39Å; D286-C290 PolarHBondContact O-N 3Å; D286-L456 WeakPolarHBondContact CB-O 3.32Å; D286-L456 PolarHBondContact N-O 3.41Å
287L69.8Low71.8Confident101 Ų10169.9 Ų69.953%0.52940%0.401SS..G310 helixtrans-63.3-26.4-179.2-65.5175000112.3L285 K289 C290 L295L285-L287 HydrophobicContact CD2-CD2 3.8Å; L285-L287 HydrophobicContact CG-CD2 4Å; L285-L287 PolarHBondContact O-N 2.96Å; L287-K289 PolarHBondContact O-N 2.98Å; L287-C290 PolarHBondContact O-N 3.37Å; L287-L295 HydrophobicContact CD2-CD2 4.36Å
288D69.5Low71.2Confident157 Ų15771.6 Ų71.684%0.8442%0.416SS*.G310 helixtrans-67.9-21.1-179.9-73.2-14000112.7D286D286-D288 PolarHBondContact O-N 3.42Å; D286-D288 PolarHBondContact OD1-N 2.96Å
289K67.9Low70.6Confident90 Ų9070 Ų7039%0.39140%0.404SS..G310 helixtrans-109.7-0.6-178.1-63.3-176.3178.8177.60113.6D286 L287 P291 R455 S458D286-K289 PolarHBondContact O-N 3.39Å; L287-K289 PolarHBondContact O-N 2.98Å; K289-P291 WeakPolarHBondContact O-CD 3.38Å; K289-R455 WeakPolarHBondContact CB-O 3.38Å; K289-S458 PolarHBondContact NZ-O 2.8Å
290C66.4Low70Confident11 Ų1168.8 Ų68.87%0.07440%0.397CS..SBendtrans-72.1123.5179.8-1610000110D286 L287 L295 L456D286-C290 PolarHBondContact O-N 3Å; L287-C290 PolarHBondContact O-N 3.37Å; C290-L295 HydrophobicContact CB-CD1 4.19Å; C290-L295 HydrophobicContact CB-CD2 4.39Å; C290-L295 HydrophobicContact CB-CG 4.24Å; C290-L456 HydrophobicContact CB-CD2 4.28Å
291P67.1Low69.7Low58 Ų5873.4 Ų73.438%0.37742%0.418SS..  trans-56.9128174-22.833000109.5K289 G293 I294K289-P291 WeakPolarHBondContact O-CD 3.38Å; P291-G293 PolarHBondContact O-N 2.9Å; P291-I294 HydrophobicContact CB-CD1 4.01Å; P291-I294 HydrophobicContact CB-CG1 4.18Å; P291-I294 HydrophobicContact CG-CD1 3.77Å; P291-I294 HydrophobicContact CG-CG1 4.47Å; P291-I294 PolarHBondContact O-N 3.46Å
292P65.1Low69.5Low103 Ų10367.8 Ų67.867%0.66939%0.388SS*.Hα-helixtrans-57.1-30.7-172.616.1-28.3000112.9I294 L295P292-I294 VanDerWaalsContact C-N 3.27Å; P292-I294 PolarHBondContact O-N 3.38Å; P292-L295 PolarHBondContact O-N 3.15Å
293G66.3Low69.4Low59 Ų5964.2 Ų64.261%0.60837%0.369SS*.Hα-helixtrans-69.3-13.617700000116.1P291P291-G293 PolarHBondContact O-N 2.9Å
294I65.3Low69.6Low39 Ų3963.1 Ų63.120%0.236%0.362CS..Hα-helixtrans-91-29.5179.3-62.2178.6000111P291 P292 D296 G297 L302 L305P291-I294 HydrophobicContact CB-CD1 4.01Å; P291-I294 HydrophobicContact CB-CG1 4.18Å; P291-I294 HydrophobicContact CG-CD1 3.77Å; P291-I294 HydrophobicContact CG-CG1 4.47Å; P291-I294 PolarHBondContact O-N 3.46Å; P292-I294 VanDerWaalsContact C-N 3.27Å; P292-I294 PolarHBondContact O-N 3.38Å; I294-D296 VanDerWaalsContact C-N 3.3Å; I294-G297 PolarHBondContact O-N 3.44Å; I294-L302 HydrophobicContact CG2-CB 4.24Å; I294-L302 HydrophobicContact CG2-CD1 4.1Å; I294-L305 HydrophobicContact CD1-CD1 3.83Å; I294-L305 HydrophobicContact CD1-CD2 3.66Å; I294-L305 HydrophobicContact CD1-CG 4.34Å; I294-L305 HydrophobicContact CG2-CD2 4.32Å
295L64.3Low69.7Low66 Ų6657.4 Ų57.435%0.34634%0.338SS..Hα-helixtrans-68.7-31.7174-67.5172.5000112L287 C290 P292 G297 L349L287-L295 HydrophobicContact CD2-CD2 4.36Å; C290-L295 HydrophobicContact CB-CD1 4.19Å; C290-L295 HydrophobicContact CB-CD2 4.39Å; C290-L295 HydrophobicContact CB-CG 4.24Å; P292-L295 PolarHBondContact O-N 3.15Å; L295-G297 VanDerWaalsContact C-N 3.33Å; L295-L349 HydrophobicContact CD2-CD1 4.49Å
296D64.8Low69.9Low133 Ų13356.1 Ų56.171%0.71133%0.331SS*.THydrogen-bonded Turntrans-88.1-1.6174.7-64.5-30.5000113I294I294-D296 VanDerWaalsContact C-N 3.3Å
297G66.4Low70.2Confident33 Ų3355.1 Ų55.134%0.3433%0.326SS..SBendtrans-86.5-167.8-176.400000114.4I294 L295I294-G297 PolarHBondContact O-N 3.44Å; L295-G297 VanDerWaalsContact C-N 3.33Å
298S70.6Confident70.4Confident57 Ų5750.5 Ų50.540%0.39930%0.303SS..  trans-71.5142.6175.368.30000111S300 E301 L302S298-S300 PolarHBondContact O-N 3.47Å; S298-E301 PolarHBondContact N-OE2 3.23Å; S298-E301 WeakPolarHBondContact O-CB 3.39Å; S298-E301 PolarHBondContact O-N 3.43Å; S298-E301 VanDerWaalsContact OG-CD 3.29Å; S298-E301 VanDerWaalsContact OG-CG 3.26Å; S298-E301 WeakPolarHBondContact OG-CG 3.48Å; S298-E301 PolarHBondContact OG-N 2.98Å; S298-E301 PolarHBondContact OG-OE2 3.24Å; S298-L302 PolarHBondContact O-N 3.44Å
299V71.6Confident70.8Confident56 Ų5644.3 Ų44.334%0.33927%0.27SS..Hα-helixtrans-53.4-30.8176.4-172.50000111.7G303 S348 I354V299-G303 PolarHBondContact O-N 2.95Å; V299-S348 WeakPolarHBondContact CG2-OG 3.27Å; V299-I354 HydrophobicContact CG1-CG2 3.67Å
300S72.3Confident70.9Confident28 Ų2848.1 Ų48.120%0.19629%0.29CS..Hα-helixtrans-69.4-34.1176.7-55.40000113.4S298 G303 A304S298-S300 PolarHBondContact O-N 3.47Å; S300-G303 PolarHBondContact O-N 2.89Å; S300-A304 WeakPolarHBondContact O-CB 3.46Å; S300-A304 PolarHBondContact O-N 3.33Å
301E71.6Confident71Confident103 Ų10349.8 Ų49.848%0.48130%0.301SS..Hα-helixtrans-70.1-42.9174.7-77.1162.6145.500111.2S298 G303 A304 L305S298-E301 PolarHBondContact N-OE2 3.23Å; S298-E301 WeakPolarHBondContact O-CB 3.39Å; S298-E301 PolarHBondContact O-N 3.43Å; S298-E301 VanDerWaalsContact OG-CD 3.29Å; S298-E301 VanDerWaalsContact OG-CG 3.26Å; S298-E301 WeakPolarHBondContact OG-CG 3.48Å; S298-E301 PolarHBondContact OG-N 2.98Å; S298-E301 PolarHBondContact OG-OE2 3.24Å; E301-G303 VanDerWaalsContact C-N 3.3Å; E301-G303 PolarHBondContact O-N 3.04Å; E301-A304 PolarHBondContact O-N 3.13Å; E301-L305 WeakPolarHBondContact O-CB 3.4Å; E301-L305 PolarHBondContact O-N 2.73Å
302L74.1Confident70.7Confident11 Ų1147.6 Ų47.66%0.05829%0.288CS..Hα-helixtrans-60.5-43.9172.1-178.258.9000110.4L285 I294 S298 A304 L305 I306 L349 I354L285-L302 HydrophobicContact CD1-CD1 4.29Å; I294-L302 HydrophobicContact CG2-CB 4.24Å; I294-L302 HydrophobicContact CG2-CD1 4.1Å; S298-L302 PolarHBondContact O-N 3.44Å; L302-A304 PolarHBondContact O-N 2.91Å; L302-L305 PolarHBondContact O-N 3.1Å; L302-I306 HydrophobicContact CD1-CD1 4.09Å; L302-I306 HydrophobicContact CD1-CG1 4.33Å; L302-I306 HydrophobicContact CG-CD1 3.82Å; L302-I306 HydrophobicContact CG-CG1 4.48Å; L302-I306 VanDerWaalsContact O-CB 3.26Å; L302-I306 WeakPolarHBondContact O-CB 3.4Å; L302-I306 WeakPolarHBondContact O-CD1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.32Å; L302-I306 PolarHBondContact O-N 3.29Å; L302-L349 HydrophobicContact CD2-CD2 4.32Å; L302-I354 HydrophobicContact CD2-CD1 3.64Å; L302-I354 HydrophobicContact CG-CD1 4.2Å
303G76.1Confident70.6Confident0 Ų050.5 Ų50.50%029%0.293CS..Hα-helixtrans-59.4-40.2173.100000113.7V299 S300 E301 I306 L307 L318V299-G303 PolarHBondContact O-N 2.95Å; S300-G303 PolarHBondContact O-N 2.89Å; E301-G303 VanDerWaalsContact C-N 3.3Å; E301-G303 PolarHBondContact O-N 3.04Å; G303-I306 PolarHBondContact O-N 3.16Å; G303-L307 WeakPolarHBondContact O-CB 3.27Å; G303-L307 VanDerWaalsContact O-CG 3.24Å; G303-L307 WeakPolarHBondContact O-CG 3.38Å; G303-L307 PolarHBondContact O-N 3.43Å; G303-L318 VanDerWaalsContact C-CD1 3.44Å
304A77.1Confident70.2Confident3 Ų352.2 Ų52.23%0.02529%0.294CS..Hα-helixtrans-66.5-45.5179.100000110.9S300 E301 L302 I306 L307 G308 V309 A312 L318S300-A304 WeakPolarHBondContact O-CB 3.46Å; S300-A304 PolarHBondContact O-N 3.33Å; E301-A304 PolarHBondContact O-N 3.13Å; L302-A304 PolarHBondContact O-N 2.91Å; A304-I306 VanDerWaalsContact C-N 3.35Å; A304-I306 PolarHBondContact O-N 3.38Å; A304-L307 CarbonylContact O-C 3.55Å; A304-L307 PolarHBondContact O-N 2.83Å; A304-G308 PolarHBondContact O-N 2.95Å; A304-V309 CarbonylContact C-O 3.44Å; A304-V309 HydrophobicContact CB-CB 4.47Å; A304-V309 PolarHBondContact O-N 3.44Å; A304-A312 HydrophobicContact CB-CB 4.33Å; A304-L318 VanDerWaalsContact CA-CD1 3.46Å; A304-L318 HydrophobicContact CB-CD1 3.84Å
305L74.4Confident70.3Confident27 Ų2750.8 Ų50.814%0.14129%0.287CS..Hα-helixtrans-61.7-44.8176.4-151.486.5000111.2I294 E301 L302 L307 G308 L456I294-L305 HydrophobicContact CD1-CD1 3.83Å; I294-L305 HydrophobicContact CD1-CD2 3.66Å; I294-L305 HydrophobicContact CD1-CG 4.34Å; I294-L305 HydrophobicContact CG2-CD2 4.32Å; E301-L305 WeakPolarHBondContact O-CB 3.4Å; E301-L305 PolarHBondContact O-N 2.73Å; L302-L305 PolarHBondContact O-N 3.1Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.02Å; L305-G308 PolarHBondContact O-N 3.47Å; L305-G308 VanDerWaalsContact O-N 3.1Å; L305-L456 HydrophobicContact CB-CD1 4.12Å; L305-L456 HydrophobicContact CD2-CD1 3.36Å; L305-L456 HydrophobicContact CD2-CD2 3.56Å; L305-L456 HydrophobicContact CD2-CG 3.63Å; L305-L456 HydrophobicContact CG-CD1 3.7Å; L305-L456 HydrophobicContact CG-CG 4.25Å
306I75.9Confident70.5Confident15 Ų1552.6 Ų52.68%0.07730%0.297CS..Hα-helixtrans-58.3-38.2176.5-78.3171.5000111.7P283 L285 L302 G303 A304 I354 I357 R370P283-I306 HydrophobicContact CB-CG2 4.21Å; P283-I306 HydrophobicContact CG-CG2 3.11Å; L285-I306 HydrophobicContact CD1-CD1 4.35Å; L285-I306 HydrophobicContact CD1-CG1 4.09Å; L302-I306 HydrophobicContact CD1-CD1 4.09Å; L302-I306 HydrophobicContact CD1-CG1 4.33Å; L302-I306 HydrophobicContact CG-CD1 3.82Å; L302-I306 HydrophobicContact CG-CG1 4.48Å; L302-I306 VanDerWaalsContact O-CB 3.26Å; L302-I306 WeakPolarHBondContact O-CB 3.4Å; L302-I306 WeakPolarHBondContact O-CD1 3.29Å; L302-I306 WeakPolarHBondContact O-CG1 3.32Å; L302-I306 PolarHBondContact O-N 3.29Å; G303-I306 PolarHBondContact O-N 3.16Å; A304-I306 VanDerWaalsContact C-N 3.35Å; A304-I306 PolarHBondContact O-N 3.38Å; I306-I354 HydrophobicContact CD1-CB 4.44Å; I306-I354 HydrophobicContact CD1-CD1 3.71Å; I306-I354 HydrophobicContact CD1-CG2 4.4Å; I306-I357 HydrophobicContact CG2-CD1 4.1Å; I306-R370 PolarHBondContact O-NH1 2.7Å
307L77.1Confident70.8Confident7 Ų747.8 Ų47.84%0.03727%0.271CS..THydrogen-bonded Turntrans-87.8-0.5-180-65.5178.4000113.8G303 A304 L305 V309 Q317 L318 I357 T368 Q371G303-L307 WeakPolarHBondContact O-CB 3.27Å; G303-L307 VanDerWaalsContact O-CG 3.24Å; G303-L307 WeakPolarHBondContact O-CG 3.38Å; G303-L307 PolarHBondContact O-N 3.43Å; A304-L307 CarbonylContact O-C 3.55Å; A304-L307 PolarHBondContact O-N 2.83Å; L305-L307 VanDerWaalsContact C-N 3.26Å; L305-L307 PolarHBondContact O-N 3.02Å; L307-V309 HydrophobicContact CB-CG2 4.12Å; L307-Q317 VanDerWaalsContact CD1-OE1 3.24Å; L307-L318 HydrophobicContact CD1-CD1 4.19Å; L307-L318 HydrophobicContact CD1-CD2 3.87Å; L307-L318 HydrophobicContact CD1-CG 4.12Å; L307-I357 HydrophobicContact CD1-CD1 4.34Å; L307-I357 HydrophobicContact CD2-CD1 4.03Å; L307-I357 HydrophobicContact CG-CD1 4.11Å; L307-T368 HydrophobicContact CB-CG2 4.02Å; L307-T368 HydrophobicContact CD1-CG2 4.23Å; L307-Q371 HydrophobicContact CD2-CG 4.32Å
308G75.1Confident70.8Confident5 Ų546.2 Ų46.25%0.05226%0.255CS..THydrogen-bonded Turntrans72.831.3-179.300000113.9A304 L305 A449A304-G308 PolarHBondContact O-N 2.95Å; L305-G308 PolarHBondContact O-N 3.47Å; L305-G308 VanDerWaalsContact O-N 3.1Å; G308-A449 WeakPolarHBondContact O-CB 3.3Å
309V78Confident70.3Confident26 Ų2647.6 Ų47.616%0.15826%0.258CS..  trans-111.5137.7-178.8-170.60000109.7A304 L307 S311 C314 T315 T368A304-V309 CarbonylContact C-O 3.44Å; A304-V309 HydrophobicContact CB-CB 4.47Å; A304-V309 PolarHBondContact O-N 3.44Å; L307-V309 HydrophobicContact CB-CG2 4.12Å; V309-S311 VanDerWaalsContact C-N 3.31Å; V309-S311 VanDerWaalsContact CG1-O 3.32Å; V309-S311 WeakPolarHBondContact CG1-O 3.44Å; V309-S311 PolarHBondContact O-N 3.09Å; V309-C314 HydrophobicContact CG1-CB 3.46Å; V309-C314 VanDerWaalsContact CG1-CB 3.46Å; V309-T315 HydrophobicContact CG1-CG2 4.48Å; V309-T368 HydrophobicContact CG2-CG2 3.62Å
310E68.5Low69.4Low171 Ų17151 Ų5180%0.79927%0.274SS*.SBendtrans-66.3-28.4-175.4-67.2-178.2173.500114I452E310-I452 HydrophobicContact CG-CD1 3.58Å
311S68.8Low68.3Low45 Ų4552.1 Ų52.132%0.31528%0.281SS..  trans-148.1147.1179.4174.70000110.6V309 E313 C314V309-S311 VanDerWaalsContact C-N 3.31Å; V309-S311 VanDerWaalsContact CG1-O 3.32Å; V309-S311 WeakPolarHBondContact CG1-O 3.44Å; V309-S311 PolarHBondContact O-N 3.09Å; S311-E313 PolarHBondContact O-N 3.17Å; S311-E313 PolarHBondContact OG-N 2.82Å; S311-C314 WeakPolarHBondContact O-CB 3.5Å; S311-C314 PolarHBondContact O-N 2.9Å; S311-C314 VanDerWaalsContact O-N 3.13Å
312A62Low66.7Low12 Ų1251.2 Ų51.210%0.09930%0.3CS..G310 helixtrans-58.2-28.7173.200000112.7A304 C314 T315 N319A304-A312 HydrophobicContact CB-CB 4.33Å; A312-C314 PolarHBondContact O-N 3.13Å; A312-T315 PolarHBondContact O-N 2.93Å; A312-N319 PolarHBondContact O-OD1 3Å
313E61.7Low64.9Low165 Ų16555 Ų5577%0.77133%0.327SS*.G310 helixtrans-64.8-21179.3-63179.9163.600112.9S311 T315S311-E313 PolarHBondContact O-N 3.17Å; S311-E313 PolarHBondContact OG-N 2.82Å; E313-T315 VanDerWaalsContact C-N 3.27Å; E313-T315 PolarHBondContact O-N 3.4Å
314C59.2Low62.8Low95 Ų9559.2 Ų59.264%0.64236%0.362SS*.G310 helixtrans-82.4-0.2-179.5-62.10000113.7V309 S311 A312V309-C314 HydrophobicContact CG1-CB 3.46Å; V309-C314 VanDerWaalsContact CG1-CB 3.46Å; S311-C314 WeakPolarHBondContact O-CB 3.5Å; S311-C314 PolarHBondContact O-N 2.9Å; S311-C314 VanDerWaalsContact O-N 3.13Å; A312-C314 PolarHBondContact O-N 3.13Å
315T65.8Low60.9Low8 Ų867 Ų675%0.04940%0.402CS..  trans-141120.3-179.5171.70000113.3V309 A312 E313 Q317 L318V309-T315 HydrophobicContact CG1-CG2 4.48Å; A312-T315 PolarHBondContact O-N 2.93Å; E313-T315 VanDerWaalsContact C-N 3.27Å; E313-T315 PolarHBondContact O-N 3.4Å; T315-Q317 PolarHBondContact O-N 2.73Å; T315-Q317 VanDerWaalsContact O-N 3.16Å; T315-Q317 VanDerWaalsContact OG1-CB 3.22Å; T315-Q317 WeakPolarHBondContact OG1-CB 3.13Å; T315-Q317 PolarHBondContact OG1-N 3.37Å; T315-L318 HydrophobicContact CG2-CB 4.02Å; T315-L318 HydrophobicContact CG2-CD1 3.34Å; T315-L318 HydrophobicContact CG2-CG 3.55Å; T315-L318 PolarHBondContact O-N 2.75Å
316N68.5Low58.8Low104 Ų10470.7 Ų70.756%0.55643%0.43SS*.Hα-helixtrans-61.8-21.6173.3-63.4-31.2000112.5L318 N319 D366N316-L318 PolarHBondContact O-N 3.3Å; N316-N319 PolarHBondContact O-N 3.33Å; N316-D366 WeakPolarHBondContact CB-OD1 3.46Å; N316-D366 PolarHBondContact ND2-OD1 3.01Å
317Q72Confident56.6Low33 Ų3373.9 Ų73.915%0.15447%0.466CS..Hα-helixtrans-61.8-31.3178.7-166.1-178.311.800111.9L307 T315L307-Q317 VanDerWaalsContact CD1-OE1 3.24Å; T315-Q317 PolarHBondContact O-N 2.73Å; T315-Q317 VanDerWaalsContact O-N 3.16Å; T315-Q317 VanDerWaalsContact OG1-CB 3.22Å; T315-Q317 WeakPolarHBondContact OG1-CB 3.13Å; T315-Q317 PolarHBondContact OG1-N 3.37Å
318L67.3Low54.2Low0 Ų079.5 Ų79.50%051%0.506CS..Hα-helixtrans-98.3-23-175.9-58178.7000112.9G303 A304 L307 T315 N316 N320 S321 C355G303-L318 VanDerWaalsContact C-CD1 3.44Å; A304-L318 VanDerWaalsContact CA-CD1 3.46Å; A304-L318 HydrophobicContact CB-CD1 3.84Å; L307-L318 HydrophobicContact CD1-CD1 4.19Å; L307-L318 HydrophobicContact CD1-CD2 3.87Å; L307-L318 HydrophobicContact CD1-CG 4.12Å; T315-L318 HydrophobicContact CG2-CB 4.02Å; T315-L318 HydrophobicContact CG2-CD1 3.34Å; T315-L318 HydrophobicContact CG2-CG 3.55Å; T315-L318 PolarHBondContact O-N 2.75Å; N316-L318 PolarHBondContact O-N 3.3Å; L318-N320 VanDerWaalsContact C-N 3.28Å; L318-N320 PolarHBondContact O-N 2.9Å; L318-S321 PolarHBondContact O-OG 3.3Å; L318-C355 HydrophobicContact CD2-CB 3.65Å
319N59.7Low52Low86 Ų8682.5 Ų82.546%0.4654%0.537SS..Hα-helixtrans-74.1-13.1-176.2-71.6-19.3000114.4A312 N316A312-N319 PolarHBondContact O-OD1 3Å; N316-N319 PolarHBondContact O-N 3.33Å
320N52.9Low49.9Very low127 Ų12790.3 Ų90.368%0.67957%0.574SS**THydrogen-bonded Turntrans-98.819.1178.4-86.5-14.6000114.6L318 G322L318-N320 VanDerWaalsContact C-N 3.28Å; L318-N320 PolarHBondContact O-N 2.9Å; N320-G322 PolarHBondContact O-N 3.17Å; N320-G322 VanDerWaalsContact O-N 3.12Å
321S47.9Very low48.1Very low51 Ų5191 Ų9136%0.35758%0.58SS.*THydrogen-bonded Turntrans-733-176.7-52.50000115.4L318L318-S321 PolarHBondContact O-OG 3.3Å
322G39.7Very low46.1Very low84 Ų8495 Ų9587%0.86661%0.608SS**THydrogen-bonded Turntrans-93.36.3-173.400000117.2N320N320-G322 PolarHBondContact O-N 3.17Å; N320-G322 VanDerWaalsContact O-N 3.12Å
323S34.4Very low44.7Very low91 Ų9197.9 Ų97.964%0.63664%0.638SS**SBendtrans-120.6122.7174.751.70000110.3
324A33.5Very low43Very low88 Ų8898 Ų9873%0.72764%0.643SS**  trans-44147.1178.400000111.8S326A324-S326 PolarHBondContact O-N 3.24Å
325I37.2Very low41.7Very low168 Ų168101.5 Ų101.586%0.86265%0.654SS**  trans-57.379.8163-58.2164.3000107.2
326S30.6Very low39.9Very low104 Ų104112.5 Ų112.573%0.72769%0.694SS**  trans-93.893.8163.768.70000105.5A324 S328A324-S326 PolarHBondContact O-N 3.24Å; S326-S328 PolarHBondContact O-N 3.12Å; S326-S328 VanDerWaalsContact O-N 3.16Å
327G28.3Very low38.1Very low81 Ų81112.2 Ų112.284%0.83570%0.7SS**  trans-50.3119.9174.100000110.2
328S28.2Very low36.1Very low125 Ų125116.3 Ų116.387%0.87473%0.728SS**  trans-130.9109.1167.2-164.40000106.5S326S326-S328 PolarHBondContact O-N 3.12Å; S326-S328 VanDerWaalsContact O-N 3.16Å
329G28.7Very low34.5Very low69 Ų69125.7 Ų125.771%0.71177%0.771SS**SBendtrans113.566.8176.700000113.8
330M33.2Very low33.3Very low190 Ų190130.6 Ų130.694%0.93679%0.789SS**SBend167.6116.5128.9-87169.4178.100110.4
331M31.6Very low32.3Very low186 Ų186131.9 Ų131.992%0.91680%0.795SS**  trans53.198.1160.6-58.1-147.6-82.200120.4
332S26.2Very low31.7Very low129 Ų129134.4 Ų134.490%0.90281%0.813SS**  31.9104.6125.6172.10000118.9
333G31.4Very low31.3Very low72 Ų72140.2 Ų140.274%0.74281%0.814SS**  trans-180113.7160.200000112.6
334L27.1Very low31.4Very low167 Ų167142.9 Ų142.987%0.87482%0.822SS**  trans-56.2141.9179.2-8672.7000113.1
335I32.2Very low31.3Very low168 Ų168147.8 Ų147.886%0.86283%0.83SS**  -180134.3116.6-83.7151.6000108.7
336R26.5Very low31.3Very low239 Ų239150.3 Ų150.390%0.90283%0.83SS**  trans-122.6122.8-174.6-154.7-167.6-69-153.80.7108.1
337S31.1Very low31.6Very low98 Ų98153.1 Ų153.169%0.68584%0.836SS**  trans-169102.3156.560.90000109.6
338T31.4Very low32.6Very low120 Ų120152.5 Ų152.574%0.73682%0.819SS**  43.696.287.264.50000115.4
339H33.5Very low33.9Very low196 Ų196151.6 Ų151.691%0.90780%0.804SS**  trans-153.7117.5134-100.6-60.7000111.5
340K33Very low35.2Very low189 Ų189160.5 Ų160.582%0.82282%0.816SS**  trans-78130.8160.2-79.3173.7169.51750108.1
341N32.4Very low36.6Very low154 Ų154154 Ų15482%0.82479%0.789SS**  165.6155.9123.6-88.5-15.6000112.3
342S35.1Very low38.2Very low104 Ų104148.9 Ų148.973%0.72777%0.769SS**  trans75103.8169.674.50000118.5D344S342-D344 PolarHBondContact O-N 3.04Å
343K32.8Very low40.5Very low206 Ų206146.6 Ų146.690%0.89674%0.744SS**  28.793.8126.9-83177.3165.2177.30114.7
344D34.8Very low42.4Very low148 Ų148143.9 Ų143.979%0.79171%0.712SS**  trans-147.4104.5146.2-86-36000107.3S342 Y346S342-D344 PolarHBondContact O-N 3.04Å; D344-Y346 VanDerWaalsContact C-N 3.33Å; D344-Y346 PolarHBondContact O-N 2.96Å
345E32.9Very low44.4Very low191 Ų191136.9 Ų136.989%0.89368%0.676SS**  trans-60.892.2161.9-75167.6135.300107.8
346Y36.2Very low46.1Very low221 Ų221129.6 Ų129.687%0.86764%0.643SS**  trans-178.465.4154.1-86.6-64.5000107.8D344D344-Y346 VanDerWaalsContact C-N 3.33Å; D344-Y346 PolarHBondContact O-N 2.96Å
347L37.6Very low48.4Very low163 Ų163118.4 Ų118.485%0.85360%0.601SS**  trans-91.8110.7173.2-78.6156.6000108.9
348S49.7Very low50.5Low68 Ų68115.8 Ų115.848%0.47658%0.583SS.*SBendtrans137.739.9142.177.50000119.6V299V299-S348 WeakPolarHBondContact CG2-OG 3.27Å
349L54.6Low52.7Low106 Ų106115 Ų11556%0.55557%0.573SS**  trans-123.228.3158.3-70.4174.4000113.5L295 L302 S351 I354L295-L349 HydrophobicContact CD2-CD1 4.49Å; L302-L349 HydrophobicContact CD2-CD2 4.32Å; L349-S351 VanDerWaalsContact C-N 3.26Å; L349-S351 PolarHBondContact O-N 3.25Å; L349-I354 HydrophobicContact CD2-CD1 4.43Å
350R55.1Low54.9Low256 Ų256110.1 Ų110.197%0.96655%0.549SS*.SBendtrans-77.1-8.3179.5-75-155.5-177.6-131.92.9114.8
351S64Low57.3Low54 Ų54104 Ų10438%0.37853%0.53SS..  trans-149.2140.1-175.8170.70000109.4L349 F353L349-S351 VanDerWaalsContact C-N 3.26Å; L349-S351 PolarHBondContact O-N 3.25Å; S351-F353 PolarHBondContact O-N 2.85Å; S351-F353 WeakPolarHBondContact OG-CB 3.25Å; S351-F353 WeakPolarHBondContact OG-CD2 3.42Å; S351-F353 PolarHBondContact OG-N 3.12Å; S351-F353 VanDerWaalsContact OG-N 3.13Å
352P65.5Low59.7Low77 Ų7797 Ų9750%0.549%0.492SS..SBendtrans-66.9-18.1173.128.5-33.9000112.4L282 I354L282-P352 HydrophobicContact CD1-CB 4.44Å; L282-P352 VanDerWaalsContact CD1-O 3.25Å; L282-P352 WeakPolarHBondContact CD1-O 3.46Å; L282-P352 HydrophobicContact CD2-CB 3.65Å; L282-P352 HydrophobicContact CD2-CG 4.29Å; P352-I354 PolarHBondContact O-N 2.79Å
353F73.8Confident62.1Low82 Ų8297 Ų9736%0.3648%0.479SS..  trans-78.453.2-175.9-50.8-65000113.2L282 S351 C355 G356 I357 I359L282-F353 HydrophobicContact CD1-CD1 4.47Å; S351-F353 PolarHBondContact O-N 2.85Å; S351-F353 WeakPolarHBondContact OG-CB 3.25Å; S351-F353 WeakPolarHBondContact OG-CD2 3.42Å; S351-F353 PolarHBondContact OG-N 3.12Å; S351-F353 VanDerWaalsContact OG-N 3.13Å; F353-C355 PolarHBondContact O-N 3.46Å; F353-G356 PolarHBondContact O-N 3.06Å; F353-I357 WeakPolarHBondContact CD1-O 3.39Å; F353-I359 HydrophobicContact CB-CD1 3.67Å; F353-I359 HydrophobicContact CB-CG1 4.28Å; F353-I359 HydrophobicContact CD1-CD1 3.77Å; F353-I359 HydrophobicContact CD1-CG1 3.75Å; F353-I359 HydrophobicContact CD2-CD1 3.51Å; F353-I359 HydrophobicContact CD2-CG1 4.37Å; F353-I359 HydrophobicContact CE1-CD1 4.25Å; F353-I359 HydrophobicContact CE1-CG1 4.11Å; F353-I359 HydrophobicContact CE2-CD1 4.05Å; F353-I359 HydrophobicContact CG-CD1 3.36Å; F353-I359 HydrophobicContact CG-CG1 3.89Å; F353-I359 HydrophobicContact CZ-CD1 4.39Å
354I71.1Confident64.5Low15 Ų1589 Ų898%0.07745%0.446CS..G310 helixtrans-55.8131.3175.5-63.7163.3000108.6L285 V299 L302 I306 L349 P352 G356 I357L285-I354 HydrophobicContact CD2-CD1 4.32Å; V299-I354 HydrophobicContact CG1-CG2 3.67Å; L302-I354 HydrophobicContact CD2-CD1 3.64Å; L302-I354 HydrophobicContact CG-CD1 4.2Å; I306-I354 HydrophobicContact CD1-CB 4.44Å; I306-I354 HydrophobicContact CD1-CD1 3.71Å; I306-I354 HydrophobicContact CD1-CG2 4.4Å; L349-I354 HydrophobicContact CD2-CD1 4.43Å; P352-I354 PolarHBondContact O-N 2.79Å; I354-G356 PolarHBondContact O-N 2.81Å; I354-I357 WeakPolarHBondContact O-CB 3.46Å; I354-I357 WeakPolarHBondContact O-CD1 3.19Å; I354-I357 VanDerWaalsContact O-CG1 3.23Å; I354-I357 WeakPolarHBondContact O-CG1 3.28Å; I354-I357 PolarHBondContact O-N 2.96Å; I354-I357 VanDerWaalsContact O-N 3.08Å
355C68.2Low66.9Low19 Ų1986 Ų8613%0.12843%0.433CS..G310 helixtrans56.512.6-174.6-62.80000115.7L318 F353 I357L318-C355 HydrophobicContact CD2-CB 3.65Å; F353-C355 PolarHBondContact O-N 3.46Å; C355-I357 VanDerWaalsContact C-N 3.29Å; C355-I357 HydrophobicContact CB-CG1 4.45Å
356G69.1Low69.4Low15 Ų1578.7 Ų78.716%0.15540%0.4CS..G310 helixtrans7417.7-174.900000114.1F353 I354 I359 K360F353-G356 PolarHBondContact O-N 3.06Å; I354-G356 PolarHBondContact O-N 2.81Å; G356-I359 PolarHBondContact O-N 3.48Å; G356-I359 VanDerWaalsContact O-N 3.12Å; G356-K360 PolarHBondContact O-N 3.2Å
357I73.9Confident71.7Confident4 Ų468.3 Ų68.32%0.02136%0.36CS..THydrogen-bonded Turntrans-55.9141.1169.1-61.4166.8000108.1L282 I306 L307 F353 I354 C355 I359L282-I357 HydrophobicContact CD1-CG2 4.48Å; I306-I357 HydrophobicContact CG2-CD1 4.1Å; L307-I357 HydrophobicContact CD1-CD1 4.34Å; L307-I357 HydrophobicContact CD2-CD1 4.03Å; L307-I357 HydrophobicContact CG-CD1 4.11Å; F353-I357 WeakPolarHBondContact CD1-O 3.39Å; I354-I357 WeakPolarHBondContact O-CB 3.46Å; I354-I357 WeakPolarHBondContact O-CD1 3.19Å; I354-I357 VanDerWaalsContact O-CG1 3.23Å; I354-I357 WeakPolarHBondContact O-CG1 3.28Å; I354-I357 PolarHBondContact O-N 2.96Å; I354-I357 VanDerWaalsContact O-N 3.08Å; C355-I357 VanDerWaalsContact C-N 3.29Å; C355-I357 HydrophobicContact CB-CG1 4.45Å; I357-I359 PolarHBondContact O-N 3.11Å
358S76.3Confident74.1Confident44 Ų4461.1 Ų61.131%0.30832%0.323SS..THydrogen-bonded Turntrans69.9-5.5-171.6-170.90000117.8P279 A280P279-S358 WeakPolarHBondContact CB-O 3.42Å; A280-S358 WeakPolarHBondContact O-CA 3.44Å; A280-S358 PolarHBondContact O-N 2.67Å
359I77.8Confident75.9Confident103 Ų10358.8 Ų58.853%0.52830%0.304SS..THydrogen-bonded Turntrans-118.1-44177.9-57.5177.9000111.9P279 F353 G356 I357P279-I359 WeakPolarHBondContact CG-O 3.12Å; F353-I359 HydrophobicContact CB-CD1 3.67Å; F353-I359 HydrophobicContact CB-CG1 4.28Å; F353-I359 HydrophobicContact CD1-CD1 3.77Å; F353-I359 HydrophobicContact CD1-CG1 3.75Å; F353-I359 HydrophobicContact CD2-CD1 3.51Å; F353-I359 HydrophobicContact CD2-CG1 4.37Å; F353-I359 HydrophobicContact CE1-CD1 4.25Å; F353-I359 HydrophobicContact CE1-CG1 4.11Å; F353-I359 HydrophobicContact CE2-CD1 4.05Å; F353-I359 HydrophobicContact CG-CD1 3.36Å; F353-I359 HydrophobicContact CG-CG1 3.89Å; F353-I359 HydrophobicContact CZ-CD1 4.39Å; G356-I359 PolarHBondContact O-N 3.48Å; G356-I359 VanDerWaalsContact O-N 3.12Å; I357-I359 PolarHBondContact O-N 3.11Å
360K79.8Confident77.5Confident93 Ų9356 Ų5640%0.40429%0.286SS..SBendtrans-79.9135.7-177.8-66.7-179.6179.11770110P279 G356P279-K360 WeakPolarHBondContact CA-O 3.39Å; P279-K360 WeakPolarHBondContact CB-O 3.33Å; G356-K360 PolarHBondContact O-N 3.2Å
361S82Confident79Confident60 Ų6044.3 Ų44.342%0.4224%0.243SC..  trans-62.2152.7163.1600000109.6E276 Q277E276-S361 WeakPolarHBondContact OE2-CB 3.46Å; E276-S361 PolarHBondContact OE2-OG 3.34Å; Q277-S361 WeakPolarHBondContact O-CA 3.5Å; Q277-S361 WeakPolarHBondContact O-CB 3.45Å
362I82.9Confident80.2Confident7 Ų741.8 Ų41.84%0.03623%0.225CC..EExtended strand (participates in β ladder)trans-132.2132.9-172-57.4154.8000107.6Q277 A280 D366 L367Q277-I362 WeakPolarHBondContact CA-O 3.35Å; Q277-I362 WeakPolarHBondContact CB-O 3.41Å; Q277-I362 WeakPolarHBondContact CG-O 3.49Å; Q277-I362 PolarHBondContact N-O 3.15Å; Q277-I362 PolarHBondContact O-N 3.06Å; A280-I362 HydrophobicContact CB-CD1 3.6Å; I362-D366 HydrophobicContact CG2-CB 4.21Å; I362-L367 HydrophobicContact CB-CD2 4.23Å; I362-L367 HydrophobicContact CD1-CD2 4.45Å; I362-L367 HydrophobicContact CG2-CD2 3.71Å; I362-L367 HydrophobicContact CG2-CG 4.17Å
363K85.2Confident81.4Confident104 Ų10438.9 Ų38.945%0.45221%0.208SC..EExtended strand (participates in β ladder)trans-69.6144.6173-66.8-177.3177.1-177.60110.2T365 D366K363-T365 PolarHBondContact O-N 2.9Å; K363-D366 PolarHBondContact O-N 3.49Å
364I84.4Confident82.1Confident39 Ų3938.1 Ų38.120%0.221%0.208CC..G310 helixtrans-54.6-29177.2-165.6165.1000112.7Q277 D366 L367 E432 L433 K436Q277-I364 HydrophobicContact CG-CB 4.33Å; I364-D366 VanDerWaalsContact C-N 3.33Å; I364-D366 PolarHBondContact O-N 2.97Å; I364-L367 HydrophobicContact CG1-CD1 4.26Å; I364-E432 HydrophobicContact CD1-CB 4.11Å; I364-L433 HydrophobicContact CD1-CD2 3.92Å; I364-L433 HydrophobicContact CD1-CG 4.48Å; I364-L433 HydrophobicContact CG1-CD2 3.99Å; I364-K436 VanDerWaalsContact O-CE 3.29Å; I364-K436 WeakPolarHBondContact O-CE 3.43Å
365T84.4Confident83.1Confident86 Ų8639 Ų3953%0.52821%0.21SC..G310 helixtrans-67.3-30.8177.250.60000113.7K363 K436K363-T365 PolarHBondContact O-N 2.9Å; T365-K436 PolarHBondContact O-NZ 3.27Å
366D85.1Confident84.2Confident36 Ų3638.6 Ų38.619%0.19321%0.207CC..G310 helixtrans-97.40.4-171.4-57.7-32.8000112.7N316 I362 K363 I364N316-D366 WeakPolarHBondContact CB-OD1 3.46Å; N316-D366 PolarHBondContact ND2-OD1 3.01Å; I362-D366 HydrophobicContact CG2-CB 4.21Å; K363-D366 PolarHBondContact O-N 3.49Å; I364-D366 VanDerWaalsContact C-N 3.33Å; I364-D366 PolarHBondContact O-N 2.97Å
367L85.7Confident85.3Confident4 Ų444.2 Ų44.22%0.02123%0.227CC..  trans-69.5132.6176.1-66.4168.4000111.6I362 I364 Q371 V372 R375 L433I362-L367 HydrophobicContact CB-CD2 4.23Å; I362-L367 HydrophobicContact CD1-CD2 4.45Å; I362-L367 HydrophobicContact CG2-CD2 3.71Å; I362-L367 HydrophobicContact CG2-CG 4.17Å; I364-L367 HydrophobicContact CG1-CD1 4.26Å; L367-Q371 HydrophobicContact CD2-CB 4.02Å; L367-V372 HydrophobicContact CB-CG2 3.56Å; L367-V372 HydrophobicContact CD1-CG2 4.21Å; L367-R375 VanDerWaalsContact CD2-NH1 3.25Å; L367-L433 HydrophobicContact CD1-CD2 3.89Å
368T86.6Confident86.2Confident12 Ų1247.5 Ų47.57%0.07425%0.247CC..  trans-73.1157.7169.563.40000111L307 V309 R370 Q371 V372L307-T368 HydrophobicContact CB-CG2 4.02Å; L307-T368 HydrophobicContact CD1-CG2 4.23Å; V309-T368 HydrophobicContact CG2-CG2 3.62Å; T368-R370 PolarHBondContact O-N 3.38Å; T368-Q371 PolarHBondContact O-N 3.02Å; T368-Q371 VanDerWaalsContact O-N 3.13Å; T368-Q371 VanDerWaalsContact OG1-CG 3.25Å; T368-Q371 WeakPolarHBondContact OG1-CG 3.49Å; T368-Q371 PolarHBondContact OG1-N 3.29Å; T368-Q371 PolarHBondContact OG1-OE1 3.04Å; T368-V372 WeakPolarHBondContact O-CG2 3.35Å; T368-V372 PolarHBondContact O-N 2.89Å
369I88.1Confident87Confident18 Ų1846.4 Ų46.49%0.09224%0.238CC..Hα-helixtrans-60-33.7-176.5-166.7159.9000112.8V372 A373 F437 L440 G442 A445 Y446 A449I369-V372 PolarHBondContact O-N 3.32Å; I369-A373 WeakPolarHBondContact O-CB 3.44Å; I369-A373 PolarHBondContact O-N 3.19Å; I369-F437 HydrophobicContact CD1-CD2 4.33Å; I369-F437 HydrophobicContact CD1-CE2 4.11Å; I369-F437 HydrophobicContact CG1-CD2 3.84Å; I369-F437 HydrophobicContact CG1-CE2 3.74Å; I369-L440 HydrophobicContact CB-CB 4.21Å; I369-L440 HydrophobicContact CB-CD1 4.1Å; I369-L440 HydrophobicContact CD1-CB 3.94Å; I369-L440 HydrophobicContact CG1-CB 4.23Å; I369-G442 VanDerWaalsContact CD1-O 3.28Å; I369-G442 WeakPolarHBondContact CD1-O 3.47Å; I369-A445 HydrophobicContact CD1-CB 3.49Å; I369-A445 VanDerWaalsContact CD1-CB 3.49Å; I369-Y446 HydrophobicContact CG1-CD2 4.46Å; I369-A449 HydrophobicContact CG2-CB 3.51Å
370R87.7Confident87.8Confident47 Ų4747.8 Ų47.818%0.17724%0.236CC..Hα-helixtrans-67.6-46.7176.2-170.9171158.6-133.3-3.6111.7I306 T368 V372 A373 D374I306-R370 PolarHBondContact O-NH1 2.7Å; T368-R370 PolarHBondContact O-N 3.38Å; R370-V372 VanDerWaalsContact C-N 3.31Å; R370-V372 PolarHBondContact O-N 2.92Å; R370-A373 PolarHBondContact O-N 3.48Å; R370-D374 WeakPolarHBondContact O-CB 3.14Å; R370-D374 PolarHBondContact O-N 3.35Å
371Q87.7Confident88.5Confident12 Ų1248.9 Ų48.96%0.05624%0.242CC..Hα-helixtrans-61.8-37.7174.3-70.6164.8-33.400112.5A280 L307 L367 T368 R375A280-Q371 HydrophobicContact CB-CG 4.08Å; L307-Q371 HydrophobicContact CD2-CG 4.32Å; L367-Q371 HydrophobicContact CD2-CB 4.02Å; T368-Q371 PolarHBondContact O-N 3.02Å; T368-Q371 VanDerWaalsContact O-N 3.13Å; T368-Q371 VanDerWaalsContact OG1-CG 3.25Å; T368-Q371 WeakPolarHBondContact OG1-CG 3.49Å; T368-Q371 PolarHBondContact OG1-N 3.29Å; T368-Q371 PolarHBondContact OG1-OE1 3.04Å; Q371-R375 WeakPolarHBondContact O-CB 3.28Å; Q371-R375 WeakPolarHBondContact O-CD 3.47Å; Q371-R375 WeakPolarHBondContact O-CG 3.26Å; Q371-R375 PolarHBondContact O-N 3.32Å
372V89.5Confident89.1Confident0 Ų049.3 Ų49.30%024%0.24CC..Hα-helixtrans-63.7-47.4175.6175.40000110.3L367 T368 I369 R370 R375 I376 L433 K436 F437 L440L367-V372 HydrophobicContact CB-CG2 3.56Å; L367-V372 HydrophobicContact CD1-CG2 4.21Å; T368-V372 WeakPolarHBondContact O-CG2 3.35Å; T368-V372 PolarHBondContact O-N 2.89Å; I369-V372 PolarHBondContact O-N 3.32Å; R370-V372 VanDerWaalsContact C-N 3.31Å; R370-V372 PolarHBondContact O-N 2.92Å; V372-R375 PolarHBondContact O-N 2.95Å; V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.44Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.47Å; V372-I376 PolarHBondContact O-N 2.92Å; V372-L433 HydrophobicContact CG1-CB 4.24Å; V372-L433 HydrophobicContact CG1-CD2 4.36Å; V372-L433 WeakPolarHBondContact CG1-O 3.39Å; V372-K436 HydrophobicContact CG2-CG 4Å; V372-F437 HydrophobicContact CG1-CB 3.78Å; V372-F437 HydrophobicContact CG1-CD2 4.2Å; V372-F437 HydrophobicContact CG1-CG 4.5Å; V372-L440 HydrophobicContact CG2-CD1 4Å
373A90.3Very high89.7Confident17 Ų1750.1 Ų50.114%0.1425%0.245CC..Hα-helixtrans-62.5-46.6179.400000112.6I369 R370 R375 I376 K377 F437 Y446I369-A373 WeakPolarHBondContact O-CB 3.44Å; I369-A373 PolarHBondContact O-N 3.19Å; R370-A373 PolarHBondContact O-N 3.48Å; A373-R375 VanDerWaalsContact C-N 3.31Å; A373-R375 PolarHBondContact O-N 2.79Å; A373-I376 PolarHBondContact O-N 3.2Å; A373-K377 PolarHBondContact O-N 3.15Å; A373-F437 HydrophobicContact CB-CD2 4.42Å; A373-F437 HydrophobicContact CB-CE2 4Å; A373-Y446 HydrophobicContact CB-CD2 3.57Å; A373-Y446 HydrophobicContact CB-CE2 3.23Å
374D88.7Confident90.1Very high66 Ų6651.3 Ų51.335%0.35325%0.254SS..Hα-helixtrans-59.2-43.9177.4-73.5-26.8000110.9R370 K377 V378R370-D374 WeakPolarHBondContact O-CB 3.14Å; R370-D374 PolarHBondContact O-N 3.35Å; D374-K377 WeakPolarHBondContact O-CB 3.35Å; D374-K377 PolarHBondContact O-N 2.88Å; D374-V378 WeakPolarHBondContact O-CG2 3.42Å; D374-V378 PolarHBondContact O-N 2.67Å
375R90.8Very high90.7Very high32 Ų3255.5 Ų55.512%0.12127%0.27CS..Hα-helixtrans-65.4-42.8176.5-73.7173.6-179.2-156.2-1.7112.9P278 L367 Q371 V372 A373 K377 V378 L379 L433P278-R375 PolarHBondContact O-NH2 2.94Å; L367-R375 VanDerWaalsContact CD2-NH1 3.25Å; Q371-R375 WeakPolarHBondContact O-CB 3.28Å; Q371-R375 WeakPolarHBondContact O-CD 3.47Å; Q371-R375 WeakPolarHBondContact O-CG 3.26Å; Q371-R375 PolarHBondContact O-N 3.32Å; V372-R375 PolarHBondContact O-N 2.95Å; A373-R375 VanDerWaalsContact C-N 3.31Å; A373-R375 PolarHBondContact O-N 2.79Å; R375-K377 PolarHBondContact O-N 3.25Å; R375-V378 PolarHBondContact O-N 3.24Å; R375-L379 VanDerWaalsContact O-CB 3.31Å; R375-L379 WeakPolarHBondContact O-CB 3.46Å; R375-L379 WeakPolarHBondContact O-CD1 3.37Å; R375-L379 WeakPolarHBondContact O-CG 3.47Å; R375-L379 PolarHBondContact O-N 2.79Å; R375-L433 HydrophobicContact CB-CD1 3.96Å
376I92.4Very high91.1Very high12 Ų1251.4 Ų51.46%0.06225%0.245CC..Hα-helixtrans-57.6-42.3175.3-71.6168.2000110V372 A373 R380 L433 E434 F437V372-I376 HydrophobicContact CG1-CD1 3.84Å; V372-I376 HydrophobicContact CG1-CG1 4.44Å; V372-I376 VanDerWaalsContact O-CG1 3.3Å; V372-I376 WeakPolarHBondContact O-CG1 3.47Å; V372-I376 PolarHBondContact O-N 2.92Å; A373-I376 PolarHBondContact O-N 3.2Å; I376-R380 HydrophobicContact CG2-CG 4.44Å; I376-R380 WeakPolarHBondContact O-CB 3.4Å; I376-R380 VanDerWaalsContact O-CG 3.24Å; I376-R380 WeakPolarHBondContact O-CG 3.37Å; I376-R380 PolarHBondContact O-N 3.03Å; I376-L433 HydrophobicContact CD1-CB 4.01Å; I376-L433 HydrophobicContact CG1-CB 3.65Å; I376-L433 HydrophobicContact CG1-CD1 4.28Å; I376-E434 HydrophobicContact CD1-CG 4.08Å; I376-F437 HydrophobicContact CD1-CB 4.1Å; I376-F437 HydrophobicContact CD1-CG 4.47Å
377K92.1Very high91.6Very high132 Ų13251.3 Ų51.357%0.57425%0.245SC*.Hα-helixtrans-61.2-53.6177.1-176.5-173.8173.8-170.20111.8A373 D374 R375 L379 R380 E381A373-K377 PolarHBondContact O-N 3.15Å; D374-K377 WeakPolarHBondContact O-CB 3.35Å; D374-K377 PolarHBondContact O-N 2.88Å; R375-K377 PolarHBondContact O-N 3.25Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 3.16Å; K377-R380 PolarHBondContact O-N 2.67Å; K377-E381 PolarHBondContact O-N 3.39Å; K377-E381 VanDerWaalsContact O-N 3.1Å
378V92.1Very high92.1Very high73 Ų7356 Ų5644%0.44227%0.27SS..Hα-helixtrans-59.5-42.6179.5173.20000111.4D374 R375 R380 E381 L382D374-V378 WeakPolarHBondContact O-CG2 3.42Å; D374-V378 PolarHBondContact O-N 2.67Å; R375-V378 PolarHBondContact O-N 3.24Å; V378-R380 PolarHBondContact O-N 3.27Å; V378-E381 PolarHBondContact O-N 3.04Å; V378-L382 PolarHBondContact O-N 3.07Å
379L93.3Very high92.4Very high22 Ų2257.8 Ų57.812%0.11528%0.278CS..Hα-helixtrans-66.4-36.8178.6-69.3165.6000112.3R375 K377 L382 V383 L426 H429 I430 L433R375-L379 VanDerWaalsContact O-CB 3.31Å; R375-L379 WeakPolarHBondContact O-CB 3.46Å; R375-L379 WeakPolarHBondContact O-CD1 3.37Å; R375-L379 WeakPolarHBondContact O-CG 3.47Å; R375-L379 PolarHBondContact O-N 2.79Å; K377-L379 VanDerWaalsContact C-N 3.32Å; K377-L379 PolarHBondContact O-N 3.16Å; L379-L382 PolarHBondContact O-N 3.46Å; L379-V383 WeakPolarHBondContact O-CB 3.33Å; L379-V383 WeakPolarHBondContact O-CG2 3.42Å; L379-V383 PolarHBondContact O-N 2.92Å; L379-L426 HydrophobicContact CD2-CD2 3.81Å; L379-H429 WeakPolarHBondContact CD1-CD2 3.43Å; L379-I430 HydrophobicContact CB-CD1 3.93Å; L379-I430 HydrophobicContact CB-CG1 3.61Å; L379-I430 HydrophobicContact CD1-CG1 4.21Å; L379-L433 HydrophobicContact CD1-CD1 3.37Å
380R95.6Very high92.7Very high132 Ų13258.1 Ų58.150%0.49828%0.279SS..Hα-helixtrans-64-41.2174.6-76.5173.4178.61792.3111.6I376 K377 V378 L382 V383 M384 I430 E434I376-R380 HydrophobicContact CG2-CG 4.44Å; I376-R380 WeakPolarHBondContact O-CB 3.4Å; I376-R380 VanDerWaalsContact O-CG 3.24Å; I376-R380 WeakPolarHBondContact O-CG 3.37Å; I376-R380 PolarHBondContact O-N 3.03Å; K377-R380 PolarHBondContact O-N 2.67Å; V378-R380 PolarHBondContact O-N 3.27Å; R380-L382 VanDerWaalsContact C-N 3.35Å; R380-V383 PolarHBondContact O-N 2.96Å; R380-M384 WeakPolarHBondContact O-CG 3.41Å; R380-M384 PolarHBondContact O-N 3.3Å; R380-I430 HydrophobicContact CG-CD1 3.97Å; R380-E434 IonicContact CZ-OE1 3.82Å; R380-E434 IonicContact NE-OE1 3.75Å; R380-E434 IonicContact NH2-OE1 2.8Å; R380-E434 PolarHBondContact NH2-OE1 3Å
381E94.6Very high93Very high115 Ų11562.4 Ų62.454%0.53730%0.296SS..Hα-helixtrans-61.6-43.5173.1-69174.5-170.300111.3K377 V378 V383 M384 K385K377-E381 PolarHBondContact O-N 3.39Å; K377-E381 VanDerWaalsContact O-N 3.1Å; V378-E381 PolarHBondContact O-N 3.04Å; E381-V383 PolarHBondContact O-N 3.3Å; E381-M384 PolarHBondContact O-N 3.35Å; E381-K385 PolarHBondContact O-N 2.81Å
382L94.1Very high93.1Very high69 Ų6964.5 Ų64.536%0.36131%0.311SS..Hα-helixtrans-66.6-35177.1-171.461000112.8V378 L379 R380 K385 T386 L426V378-L382 PolarHBondContact O-N 3.07Å; L379-L382 PolarHBondContact O-N 3.46Å; R380-L382 VanDerWaalsContact C-N 3.35Å; L382-K385 PolarHBondContact O-N 3.45Å; L382-T386 WeakPolarHBondContact O-CB 3.29Å; L382-T386 PolarHBondContact O-N 3.43Å; L382-T386 PolarHBondContact O-OG1 3.44Å; L382-L426 HydrophobicContact CB-CD1 4.4Å; L382-L426 HydrophobicContact CD2-CD1 4Å; L382-L426 HydrophobicContact CD2-CD2 3.67Å; L382-L426 HydrophobicContact CD2-CG 4.5Å; L382-L426 HydrophobicContact CG-CD1 3.77Å; L382-L426 HydrophobicContact CG-CD2 4.31Å
383V95.4Very high93.2Very high24 Ų2464.9 Ų64.915%0.14531%0.314CS..Hα-helixtrans-61.9-46.4171.71620000110.5L379 R380 E381 K385 T386 D387 L423 L426 K427 I430L379-V383 WeakPolarHBondContact O-CB 3.33Å; L379-V383 WeakPolarHBondContact O-CG2 3.42Å; L379-V383 PolarHBondContact O-N 2.92Å; R380-V383 PolarHBondContact O-N 2.96Å; E381-V383 PolarHBondContact O-N 3.3Å; V383-K385 PolarHBondContact O-N 2.99Å; V383-T386 PolarHBondContact O-N 2.96Å; V383-D387 VanDerWaalsContact O-CB 3.28Å; V383-D387 WeakPolarHBondContact O-CB 3.32Å; V383-D387 PolarHBondContact O-N 2.93Å; V383-L423 HydrophobicContact CB-CD1 4.44Å; V383-L423 HydrophobicContact CG1-CD1 3.85Å; V383-L426 HydrophobicContact CG2-CB 3.55Å; V383-L426 HydrophobicContact CG2-CD1 4.2Å; V383-K427 HydrophobicContact CG2-CG 4.42Å; V383-I430 HydrophobicContact CB-CD1 4.49Å; V383-I430 HydrophobicContact CG2-CD1 3.64Å
384M94.7Very high93.3Very high129 Ų12968.1 Ų68.164%0.63533%0.328SS*.Hα-helixtrans-60.8-44.4176.4-70.9-177.267.500111.7R380 E381 D387 N388R380-M384 WeakPolarHBondContact O-CG 3.41Å; R380-M384 PolarHBondContact O-N 3.3Å; E381-M384 PolarHBondContact O-N 3.35Å; M384-D387 PolarHBondContact O-N 3.04Å; M384-N388 VanDerWaalsContact O-CG 3.27Å; M384-N388 PolarHBondContact O-N 2.81Å; M384-N388 PolarHBondContact O-ND2 2.77Å
385K94.9Very high93.3Very high127 Ų12773.9 Ų73.955%0.55235%0.345SS*.Hα-helixtrans-60.5-49.3176.7-175.8178.4177.1179.70111.9E381 L382 V383 D387 N388 E389E381-K385 PolarHBondContact O-N 2.81Å; L382-K385 PolarHBondContact O-N 3.45Å; V383-K385 PolarHBondContact O-N 2.99Å; K385-D387 PolarHBondContact O-N 3.45Å; K385-N388 WeakPolarHBondContact O-CB 3.39Å; K385-N388 PolarHBondContact O-N 2.96Å; K385-E389 WeakPolarHBondContact CE-OE1 3.36Å; K385-E389 WeakPolarHBondContact O-CG 3.35Å; K385-E389 PolarHBondContact O-N 3.06Å
386T94.2Very high93.2Very high0 Ų077 Ų770%036%0.363CS..Hα-helixtrans-66.6-36.2-178.9-52.10000111.9L382 V383 E389 L390 Y419 R422 L423L382-T386 WeakPolarHBondContact O-CB 3.29Å; L382-T386 PolarHBondContact O-N 3.43Å; L382-T386 PolarHBondContact O-OG1 3.44Å; V383-T386 PolarHBondContact O-N 2.96Å; T386-E389 PolarHBondContact O-N 2.84Å; T386-L390 WeakPolarHBondContact O-CB 3.45Å; T386-L390 PolarHBondContact O-N 3.45Å; T386-Y419 HydrophobicContact CG2-CD1 4.35Å; T386-R422 HydrophobicContact CG2-CB 4.1Å; T386-R422 HydrophobicContact CG2-CG 3.98Å; T386-L423 HydrophobicContact CG2-CB 4.19Å
387D95.8Very high92.9Very high35 Ų3577 Ų7719%0.18736%0.363CS..Hα-helixtrans-65.5-39.4175.2-16674.5000111.4V383 M384 K385 L390 R391 L423V383-D387 VanDerWaalsContact O-CB 3.28Å; V383-D387 WeakPolarHBondContact O-CB 3.32Å; V383-D387 PolarHBondContact O-N 2.93Å; M384-D387 PolarHBondContact O-N 3.04Å; K385-D387 PolarHBondContact O-N 3.45Å; D387-L390 PolarHBondContact O-N 3.48Å; D387-R391 VanDerWaalsContact O-CG 3.29Å; D387-R391 WeakPolarHBondContact O-CG 3.47Å; D387-R391 PolarHBondContact O-N 2.92Å; D387-R391 IonicContact OD2-CZ 3.82Å; D387-R391 IonicContact OD2-NE 2.7Å; D387-R391 PolarHBondContact OD2-NE 3.45Å; D387-R391 IonicContact OD2-NH2 2.74Å; D387-R391 PolarHBondContact OD2-NH2 2.71Å; D387-L423 HydrophobicContact CB-CD1 4.2Å
388N94.6Very high92.7Very high102 Ų10275.5 Ų75.555%0.54536%0.357SS..Hα-helixtrans-64.8-43.5173.8-72.3-24.7000112M384 K385 R391 S392M384-N388 VanDerWaalsContact O-CG 3.27Å; M384-N388 PolarHBondContact O-N 2.81Å; M384-N388 PolarHBondContact O-ND2 2.77Å; K385-N388 WeakPolarHBondContact O-CB 3.39Å; K385-N388 PolarHBondContact O-N 2.96Å; N388-R391 PolarHBondContact O-N 3.25Å; N388-S392 WeakPolarHBondContact O-CB 3.49Å; N388-S392 PolarHBondContact O-N 2.77Å
389E94.6Very high92.4Very high50 Ų5075.2 Ų75.223%0.23436%0.359CS..Hα-helixtrans-58.6-48.4174.5-71.8170.6170.600110.7K385 T386 R391 S392 T393 Y419K385-E389 WeakPolarHBondContact CE-OE1 3.36Å; K385-E389 WeakPolarHBondContact O-CG 3.35Å; K385-E389 PolarHBondContact O-N 3.06Å; T386-E389 PolarHBondContact O-N 2.84Å; E389-R391 PolarHBondContact O-N 3Å; E389-S392 PolarHBondContact O-N 3.31Å; E389-S392 PolarHBondContact O-OG 2.97Å; E389-T393 PolarHBondContact O-N 3.35Å; E389-T393 PolarHBondContact O-OG1 3.5Å; E389-Y419 HydrophobicContact CB-CD1 3.96Å; E389-Y419 HydrophobicContact CB-CD2 4.34Å; E389-Y419 HydrophobicContact CB-CE1 3.87Å; E389-Y419 HydrophobicContact CB-CE2 4.28Å; E389-Y419 HydrophobicContact CB-CG 4.2Å; E389-Y419 HydrophobicContact CG-CE1 4.33Å; E389-Y419 WeakPolarHBondContact OE2-CD1 3.37Å; E389-Y419 WeakPolarHBondContact OE2-CE1 3.4Å
390L93.5Very high92Very high24 Ų2474.8 Ų74.813%0.12636%0.357CS..Hα-helixtrans-57.9-50.817718060.5000112T386 D387 S392 T393 D394 G416 L423T386-L390 WeakPolarHBondContact O-CB 3.45Å; T386-L390 PolarHBondContact O-N 3.45Å; D387-L390 PolarHBondContact O-N 3.48Å; L390-S392 VanDerWaalsContact C-N 3.27Å; L390-S392 PolarHBondContact O-N 2.74Å; L390-T393 WeakPolarHBondContact CA-OG1 3.27Å; L390-T393 PolarHBondContact O-N 3.13Å; L390-T393 VanDerWaalsContact O-N 3.11Å; L390-T393 PolarHBondContact O-OG1 2.78Å; L390-D394 PolarHBondContact O-N 2.89Å; L390-G416 WeakPolarHBondContact CD1-O 3.41Å; L390-L423 HydrophobicContact CD2-CD2 3.98Å
391R93.7Very high91.4Very high138 Ų13875.6 Ų75.652%0.52136%0.361SS..Hα-helixtrans-61.2-36.2178-70.8177.5-165.6-140.56.5112.4D387 N388 E389 R395D387-R391 VanDerWaalsContact O-CG 3.29Å; D387-R391 WeakPolarHBondContact O-CG 3.47Å; D387-R391 PolarHBondContact O-N 2.92Å; D387-R391 IonicContact OD2-CZ 3.82Å; D387-R391 IonicContact OD2-NE 2.7Å; D387-R391 PolarHBondContact OD2-NE 3.45Å; D387-R391 IonicContact OD2-NH2 2.74Å; D387-R391 PolarHBondContact OD2-NH2 2.71Å; N388-R391 PolarHBondContact O-N 3.25Å; E389-R391 PolarHBondContact O-N 3Å; R391-R395 VanDerWaalsContact O-CG 3.32Å; R391-R395 WeakPolarHBondContact O-CG 3.35Å; R391-R395 PolarHBondContact O-N 3.39Å; R391-R395 VanDerWaalsContact O-N 3.13Å
392S90.6Very high91Very high55 Ų5574.4 Ų74.439%0.38536%0.361SS..Hα-helixtrans-64.7-44175.480.20000110.9N388 E389 L390 R395 M396N388-S392 WeakPolarHBondContact O-CB 3.49Å; N388-S392 PolarHBondContact O-N 2.77Å; E389-S392 PolarHBondContact O-N 3.31Å; E389-S392 PolarHBondContact O-OG 2.97Å; L390-S392 VanDerWaalsContact C-N 3.27Å; L390-S392 PolarHBondContact O-N 2.74Å; S392-R395 PolarHBondContact O-N 3.47Å; S392-M396 WeakPolarHBondContact O-CG 3.28Å; S392-M396 PolarHBondContact O-N 3.48Å
393T91.8Very high90.3Very high9 Ų975.3 Ų75.36%0.05537%0.366CS..Hα-helixtrans-66-38.9176.952.30000112.6E389 L390 R395 M396 I397 A415 Y419E389-T393 PolarHBondContact O-N 3.35Å; E389-T393 PolarHBondContact O-OG1 3.5Å; L390-T393 WeakPolarHBondContact CA-OG1 3.27Å; L390-T393 PolarHBondContact O-N 3.13Å; L390-T393 VanDerWaalsContact O-N 3.11Å; L390-T393 PolarHBondContact O-OG1 2.78Å; T393-R395 VanDerWaalsContact C-N 3.33Å; T393-R395 PolarHBondContact O-N 3.27Å; T393-M396 WeakPolarHBondContact O-CB 2.99Å; T393-M396 PolarHBondContact O-N 2.97Å; T393-M396 VanDerWaalsContact O-N 3.16Å; T393-I397 VanDerWaalsContact O-CG1 3.29Å; T393-I397 WeakPolarHBondContact O-CG1 3.31Å; T393-I397 PolarHBondContact O-N 3.34Å; T393-A415 HydrophobicContact CG2-CB 4.34Å; T393-Y419 HydrophobicContact CG2-CD2 3.89Å; T393-Y419 HydrophobicContact CG2-CE2 3.61Å
394D91.2Very high89.2Confident84 Ų8479.5 Ų79.545%0.44939%0.394SS..Hα-helixtrans-63.2-39.9176.9-72.4-28.9000111.6L390 I397 E398L390-D394 PolarHBondContact O-N 2.89Å; D394-I397 PolarHBondContact O-N 3.33Å; D394-E398 PolarHBondContact O-N 3.48Å
395R90.1Very high88.1Confident188 Ų18882.8 Ų82.871%0.70941%0.405SS*.Hα-helixtrans-63.1-41.5173-70.6173.9-168.31693.5111.8R391 S392 T393 E398 S399R391-R395 VanDerWaalsContact O-CG 3.32Å; R391-R395 WeakPolarHBondContact O-CG 3.35Å; R391-R395 PolarHBondContact O-N 3.39Å; R391-R395 VanDerWaalsContact O-N 3.13Å; S392-R395 PolarHBondContact O-N 3.47Å; T393-R395 VanDerWaalsContact C-N 3.33Å; T393-R395 PolarHBondContact O-N 3.27Å; R395-E398 PolarHBondContact O-N 3.43Å; R395-S399 WeakPolarHBondContact O-CB 3.41Å; R395-S399 PolarHBondContact O-N 2.91Å
396M86.9Confident86.5Confident98 Ų9883.9 Ų83.948%0.48341%0.41SS..Hα-helixtrans-64.9-43176.3-69.6177.871.800111.7S392 T393 E398 S399 C400 L412S392-M396 WeakPolarHBondContact O-CG 3.28Å; S392-M396 PolarHBondContact O-N 3.48Å; T393-M396 WeakPolarHBondContact O-CB 2.99Å; T393-M396 PolarHBondContact O-N 2.97Å; T393-M396 VanDerWaalsContact O-N 3.16Å; M396-E398 VanDerWaalsContact C-N 3.31Å; M396-E398 PolarHBondContact O-N 2.82Å; M396-S399 PolarHBondContact O-N 3.26Å; M396-C400 PolarHBondContact O-N 2.89Å; M396-C400 PolarHBondContact O-SG 2.87Å; M396-L412 HydrophobicContact CB-CD1 4.05Å; M396-L412 HydrophobicContact CB-CD2 4.24Å; M396-L412 HydrophobicContact CE-CD2 3.69Å; M396-L412 HydrophobicContact SD-CD2 4.22Å
397I87.4Confident85.1Confident12 Ų1286.8 Ų86.86%0.06244%0.44CS..Hα-helixtrans-58.4-45.6176.2-70.5167.3000110.2T393 D394 C400 R401 L412 V413T393-I397 VanDerWaalsContact O-CG1 3.29Å; T393-I397 WeakPolarHBondContact O-CG1 3.31Å; T393-I397 PolarHBondContact O-N 3.34Å; D394-I397 PolarHBondContact O-N 3.33Å; I397-C400 PolarHBondContact O-N 3.3Å; I397-R401 WeakPolarHBondContact O-CG 3.28Å; I397-R401 PolarHBondContact O-N 3.41Å; I397-L412 HydrophobicContact CD1-CB 4.44Å; I397-L412 HydrophobicContact CG1-CB 3.72Å; I397-V413 HydrophobicContact CD1-CG2 4.28Å
398E87.1Confident84.2Confident99 Ų9989.3 Ų89.346%0.46345%0.453SS..Hα-helixtrans-66.9-37.9179.2-164.357.3-15400112.4D394 R395 M396 C400 R401 T402D394-E398 PolarHBondContact O-N 3.48Å; R395-E398 PolarHBondContact O-N 3.43Å; M396-E398 VanDerWaalsContact C-N 3.31Å; M396-E398 PolarHBondContact O-N 2.82Å; E398-C400 VanDerWaalsContact C-N 3.33Å; E398-C400 PolarHBondContact O-N 3.46Å; E398-R401 PolarHBondContact O-N 3.04Å; E398-R401 IonicContact OE2-NH1 3.78Å; E398-R401 PolarHBondContact OE2-NH1 3.37Å; E398-T402 PolarHBondContact O-N 3.02Å; E398-T402 VanDerWaalsContact O-N 3.14Å; E398-T402 PolarHBondContact O-OG1 3.49Å; E398-T402 VanDerWaalsContact O-OG1 3.1Å
399S85.3Confident83.6Confident67 Ų6789 Ų8947%0.46945%0.45SS..Hα-helixtrans-63.8-36.4172.4-1700000112.7R395 M396 T402 N403R395-S399 WeakPolarHBondContact O-CB 3.41Å; R395-S399 PolarHBondContact O-N 2.91Å; M396-S399 PolarHBondContact O-N 3.26Å; S399-T402 WeakPolarHBondContact CA-OG1 3.45Å; S399-T402 PolarHBondContact O-OG1 2.89Å; S399-N403 PolarHBondContact O-N 3.29Å
400C85.1Confident83.1Confident13 Ų1392.3 Ų92.39%0.08847%0.465CS..Hα-helixtrans-75-30.9177.8-62.40000112.1M396 I397 E398 N403 F406 L412M396-C400 PolarHBondContact O-N 2.89Å; M396-C400 PolarHBondContact O-SG 2.87Å; I397-C400 PolarHBondContact O-N 3.3Å; E398-C400 VanDerWaalsContact C-N 3.33Å; E398-C400 PolarHBondContact O-N 3.46Å; C400-N403 CarbonylContact O-C 3.57Å; C400-F406 PolarHBondContact SG-O 2.74Å; C400-L412 HydrophobicContact CB-CD1 4.44Å; C400-L412 WeakPolarHBondContact SG-CD1 3.39Å
401R83.8Confident82.7Confident150 Ų15093.9 Ų93.957%0.56648%0.477SS*.Hα-helixtrans-66.1-39.3173-76.3177.8-177.5150.2-0.2112.4I397 E398I397-R401 WeakPolarHBondContact O-CG 3.28Å; I397-R401 PolarHBondContact O-N 3.41Å; E398-R401 PolarHBondContact O-N 3.04Å; E398-R401 IonicContact OE2-NH1 3.78Å; E398-R401 PolarHBondContact OE2-NH1 3.37Å
402T85.1Confident82.3Confident89 Ų8988.4 Ų88.455%0.54646%0.459SS..Hα-helixtrans-76.5-29.4177.950.50000112.4E398 S399E398-T402 PolarHBondContact O-N 3.02Å; E398-T402 VanDerWaalsContact O-N 3.14Å; E398-T402 PolarHBondContact O-OG1 3.49Å; E398-T402 VanDerWaalsContact O-OG1 3.1Å; S399-T402 WeakPolarHBondContact CA-OG1 3.45Å; S399-T402 PolarHBondContact O-OG1 2.89Å
403N79.6Confident82.3Confident88 Ų8889.2 Ų89.247%0.47146%0.461SS..  trans-129.887.4177.5-66.2-67.5000111.6S399 C400 K405 F406S399-N403 PolarHBondContact O-N 3.29Å; C400-N403 CarbonylContact O-C 3.57Å; N403-K405 PolarHBondContact O-N 3.4Å; N403-F406 HydrophobicContact CB-CD2 4.19Å; N403-F406 PolarHBondContact O-N 3.26Å; N403-F406 VanDerWaalsContact O-N 3.17Å
404P73.5Confident82.2Confident113 Ų11395 Ų9573%0.73448%0.482SS*.THydrogen-bonded Turntrans-60.5-12.7-177.8-23.732.8000115F406P404-F406 PolarHBondContact O-N 2.9Å
405K70.8Confident82.1Confident197 Ų19792.5 Ų92.586%0.85747%0.473SS*.THydrogen-bonded Turntrans-76.8-5.4179.8-66-172.5177.3-175.70113.7N403N403-K405 PolarHBondContact O-N 3.4Å
406F61.2Low82.2Confident150 Ų15083.8 Ų83.866%0.65844%0.442SS*.SBendtrans-127.6124-177.8-65.6-80.2000111.1C400 N403 P404C400-F406 PolarHBondContact SG-O 2.74Å; N403-F406 HydrophobicContact CB-CD2 4.19Å; N403-F406 PolarHBondContact O-N 3.26Å; N403-F406 VanDerWaalsContact O-N 3.17Å; P404-F406 PolarHBondContact O-N 2.9Å
407G64.9Low82.4Confident61 Ų6181.1 Ų81.163%0.62944%0.435SS*.SBendtrans92.6143.8165.500000115.9M409G407-M409 PolarHBondContact O-N 2.96Å
408D76.9Confident82.7Confident89 Ų8983.4 Ų83.448%0.47645%0.45SS..  trans-76.698.4167.1-179.4-7.5000109E410 C411 L412D408-E410 PolarHBondContact O-N 3.24Å; D408-E410 WeakPolarHBondContact OD1-CB 3.49Å; D408-E410 PolarHBondContact OD1-N 3.3Å; D408-C411 HydrophobicContact CB-CB 4.04Å; D408-C411 PolarHBondContact O-N 3.47Å; D408-C411 PolarHBondContact OD1-N 2.83Å; D408-C411 PolarHBondContact OD2-SG 3.32Å; D408-L412 PolarHBondContact O-N 3.33Å
409M82.3Confident83Confident95 Ų9581.6 Ų81.647%0.46844%0.439SS..Hα-helixtrans-56.4-35.6179.2-168.2-162-65.300111.7G407 L412 V413G407-M409 PolarHBondContact O-N 2.96Å; M409-L412 PolarHBondContact O-N 3.1Å; M409-V413 HydrophobicContact CG-CG2 4.36Å; M409-V413 VanDerWaalsContact O-CG2 3.27Å; M409-V413 WeakPolarHBondContact O-CG2 3.3Å; M409-V413 PolarHBondContact O-N 3.44Å
410E83.5Confident83.5Confident120 Ų12080.6 Ų80.656%0.56143%0.432SS*.Hα-helixtrans-67-44.8-178.9-164.6-169.5144.800110.6D408 L412 V413 R414D408-E410 PolarHBondContact O-N 3.24Å; D408-E410 WeakPolarHBondContact OD1-CB 3.49Å; D408-E410 PolarHBondContact OD1-N 3.3Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.03Å; E410-V413 PolarHBondContact O-N 2.9Å; E410-R414 VanDerWaalsContact O-CG 3.31Å; E410-R414 WeakPolarHBondContact O-CG 3.48Å; E410-R414 PolarHBondContact O-N 3.49Å; E410-R414 IonicContact OE1-CZ 3.75Å; E410-R414 IonicContact OE1-NH1 2.77Å; E410-R414 PolarHBondContact OE1-NH1 3.46Å
411C85.5Confident83.9Confident56 Ų5687.2 Ų87.238%0.37846%0.455SS..Hα-helixtrans-57.8-44.6174.4-82.90000112.5D408 R414 A415D408-C411 HydrophobicContact CB-CB 4.04Å; D408-C411 PolarHBondContact O-N 3.47Å; D408-C411 PolarHBondContact OD1-N 2.83Å; D408-C411 PolarHBondContact OD2-SG 3.32Å; C411-R414 PolarHBondContact O-N 3.23Å; C411-R414 PolarHBondContact SG-NH2 2.94Å; C411-A415 WeakPolarHBondContact O-CB 3.34Å; C411-A415 PolarHBondContact O-N 3.4Å
412L86.6Confident84.4Confident24 Ų2485.9 Ų85.913%0.12645%0.45CS..Hα-helixtrans-65.9-43180-67.1176.3000112.4M396 I397 C400 D408 M409 E410 R414 A415 G416M396-L412 HydrophobicContact CB-CD1 4.05Å; M396-L412 HydrophobicContact CB-CD2 4.24Å; M396-L412 HydrophobicContact CE-CD2 3.69Å; M396-L412 HydrophobicContact SD-CD2 4.22Å; I397-L412 HydrophobicContact CD1-CB 4.44Å; I397-L412 HydrophobicContact CG1-CB 3.72Å; C400-L412 HydrophobicContact CB-CD1 4.44Å; C400-L412 WeakPolarHBondContact SG-CD1 3.39Å; D408-L412 PolarHBondContact O-N 3.33Å; M409-L412 PolarHBondContact O-N 3.1Å; E410-L412 VanDerWaalsContact C-N 3.34Å; E410-L412 PolarHBondContact O-N 3.03Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 2.98Å; L412-A415 PolarHBondContact O-N 3.35Å; L412-G416 PolarHBondContact O-N 3.44Å
413V89Confident84.8Confident72 Ų7282 Ų8244%0.43643%0.426SS..Hα-helixtrans-62.8-41.6176.8170.90000111I397 M409 E410 G416 A417I397-V413 HydrophobicContact CD1-CG2 4.28Å; M409-V413 HydrophobicContact CG-CG2 4.36Å; M409-V413 VanDerWaalsContact O-CG2 3.27Å; M409-V413 WeakPolarHBondContact O-CG2 3.3Å; M409-V413 PolarHBondContact O-N 3.44Å; E410-V413 PolarHBondContact O-N 2.9Å; V413-G416 PolarHBondContact O-N 2.76Å; V413-A417 WeakPolarHBondContact O-CB 3.42Å; V413-A417 PolarHBondContact O-N 2.83Å
414R89.6Confident85.5Confident130 Ų13082.5 Ų82.549%0.49143%0.429SS..Hα-helixtrans-63-40.6174.8-71-173.4-56.6-149.89.7112.3E410 C411 L412 T418E410-R414 VanDerWaalsContact O-CG 3.31Å; E410-R414 WeakPolarHBondContact O-CG 3.48Å; E410-R414 PolarHBondContact O-N 3.49Å; E410-R414 IonicContact OE1-CZ 3.75Å; E410-R414 IonicContact OE1-NH1 2.77Å; E410-R414 PolarHBondContact OE1-NH1 3.46Å; C411-R414 PolarHBondContact O-N 3.23Å; C411-R414 PolarHBondContact SG-NH2 2.94Å; L412-R414 VanDerWaalsContact C-N 3.34Å; L412-R414 PolarHBondContact O-N 2.98Å; R414-T418 PolarHBondContact O-N 3.33Å; R414-T418 VanDerWaalsContact O-N 3.12Å; R414-T418 PolarHBondContact O-OG1 3Å
415A90.4Very high86.5Confident31 Ų3181 Ų8126%0.25642%0.421SS..Hα-helixtrans-64.1-50.7176.800000111.3T393 C411 L412 A417 T418 Y419T393-A415 HydrophobicContact CG2-CB 4.34Å; C411-A415 WeakPolarHBondContact O-CB 3.34Å; C411-A415 PolarHBondContact O-N 3.4Å; L412-A415 PolarHBondContact O-N 3.35Å; A415-A417 PolarHBondContact O-N 3.28Å; A415-T418 WeakPolarHBondContact O-CA 3.42Å; A415-T418 WeakPolarHBondContact O-CB 3.27Å; A415-T418 PolarHBondContact O-N 2.93Å; A415-Y419 HydrophobicContact CB-CE2 4.08Å; A415-Y419 WeakPolarHBondContact O-CD2 3.43Å; A415-Y419 PolarHBondContact O-N 2.94Å
416G91.7Very high87.6Confident6 Ų672.5 Ų72.56%0.06239%0.385CS..Hα-helixtrans-56.7-45.6177.200000112.7L390 L412 V413 T418 Y419 S420L390-G416 WeakPolarHBondContact CD1-O 3.41Å; L412-G416 PolarHBondContact O-N 3.44Å; V413-G416 PolarHBondContact O-N 2.76Å; G416-T418 VanDerWaalsContact C-N 3.26Å; G416-T418 PolarHBondContact O-N 3.22Å; G416-Y419 PolarHBondContact O-N 3.48Å; G416-S420 WeakPolarHBondContact O-CB 3.05Å; G416-S420 PolarHBondContact O-N 3.34Å
417A91.9Very high89.2Confident42 Ų4269.8 Ų69.835%0.34737%0.373SS..Hα-helixtrans-60-35.9175.200000112.7V413 A415 R421V413-A417 WeakPolarHBondContact O-CB 3.42Å; V413-A417 PolarHBondContact O-N 2.83Å; A415-A417 PolarHBondContact O-N 3.28Å; A417-R421 WeakPolarHBondContact O-CG 3.31Å; A417-R421 PolarHBondContact O-N 3.18Å
418T92.7Very high90.6Very high59 Ų5971.5 Ų71.536%0.36236%0.364SS..Hα-helixtrans-68.7-47.1177.2-600000111.8R414 A415 G416 S420 R421 R422R414-T418 PolarHBondContact O-N 3.33Å; R414-T418 VanDerWaalsContact O-N 3.12Å; R414-T418 PolarHBondContact O-OG1 3Å; A415-T418 WeakPolarHBondContact O-CA 3.42Å; A415-T418 WeakPolarHBondContact O-CB 3.27Å; A415-T418 PolarHBondContact O-N 2.93Å; G416-T418 VanDerWaalsContact C-N 3.26Å; G416-T418 PolarHBondContact O-N 3.22Å; T418-S420 VanDerWaalsContact C-N 3.33Å; T418-S420 PolarHBondContact O-N 3.01Å; T418-R421 PolarHBondContact O-N 2.97Å; T418-R421 PolarHBondContact OG1-NH2 3.38Å; T418-R422 WeakPolarHBondContact O-CB 3.39Å; T418-R422 PolarHBondContact O-N 2.88Å
419Y94.2Very high91.3Very high61 Ų6168.8 Ų68.824%0.23935%0.349CS..Hα-helixtrans-62.4-40.5176-63.1-55.3000111.9T386 E389 T393 A415 G416 R422 L423T386-Y419 HydrophobicContact CG2-CD1 4.35Å; E389-Y419 HydrophobicContact CB-CD1 3.96Å; E389-Y419 HydrophobicContact CB-CD2 4.34Å; E389-Y419 HydrophobicContact CB-CE1 3.87Å; E389-Y419 HydrophobicContact CB-CE2 4.28Å; E389-Y419 HydrophobicContact CB-CG 4.2Å; E389-Y419 HydrophobicContact CG-CE1 4.33Å; E389-Y419 WeakPolarHBondContact OE2-CD1 3.37Å; E389-Y419 WeakPolarHBondContact OE2-CE1 3.4Å; T393-Y419 HydrophobicContact CG2-CD2 3.89Å; T393-Y419 HydrophobicContact CG2-CE2 3.61Å; A415-Y419 HydrophobicContact CB-CE2 4.08Å; A415-Y419 WeakPolarHBondContact O-CD2 3.43Å; A415-Y419 PolarHBondContact O-N 2.94Å; G416-Y419 PolarHBondContact O-N 3.48Å; Y419-R422 PolarHBondContact O-N 3.32Å; Y419-L423 VanDerWaalsContact O-CB 3.27Å; Y419-L423 WeakPolarHBondContact O-CB 3.16Å; Y419-L423 PolarHBondContact O-N 3.43Å
420S94.4Very high91.9Very high47 Ų4765 Ų6533%0.32933%0.33SS..Hα-helixtrans-60.6-47.4175.5-179.40000112.4G416 T418 R422 L423 N424G416-S420 WeakPolarHBondContact O-CB 3.05Å; G416-S420 PolarHBondContact O-N 3.34Å; T418-S420 VanDerWaalsContact C-N 3.33Å; T418-S420 PolarHBondContact O-N 3.01Å; S420-R422 PolarHBondContact O-N 3.3Å; S420-L423 PolarHBondContact O-N 3.13Å; S420-N424 PolarHBondContact O-N 3.36Å; S420-N424 PolarHBondContact O-ND2 3.18Å
421R93.4Very high92.3Very high152 Ų15265 Ų6557%0.57433%0.329SS*.Hα-helixtrans-60.4-45.4174.7-74.4-176.4-65.3-130-0112.2A417 T418 N424 S425A417-R421 WeakPolarHBondContact O-CG 3.31Å; A417-R421 PolarHBondContact O-N 3.18Å; T418-R421 PolarHBondContact O-N 2.97Å; T418-R421 PolarHBondContact OG1-NH2 3.38Å; R421-N424 PolarHBondContact O-N 2.94Å; R421-S425 PolarHBondContact O-N 3.47Å
422R94.2Very high92.7Very high122 Ų12266.5 Ų66.546%0.4633%0.33SS..Hα-helixtrans-59.9-47.3176.8-179.6179.6-73.4171.4-3.3111T386 T418 Y419 S420 N424 S425 L426T386-R422 HydrophobicContact CG2-CB 4.1Å; T386-R422 HydrophobicContact CG2-CG 3.98Å; T418-R422 WeakPolarHBondContact O-CB 3.39Å; T418-R422 PolarHBondContact O-N 2.88Å; Y419-R422 PolarHBondContact O-N 3.32Å; S420-R422 PolarHBondContact O-N 3.3Å; R422-N424 VanDerWaalsContact C-N 3.33Å; R422-N424 PolarHBondContact O-N 3.15Å; R422-S425 PolarHBondContact O-N 3.25Å; R422-L426 HydrophobicContact CG-CD1 3.91Å; R422-L426 HydrophobicContact CG-CG 4.29Å; R422-L426 VanDerWaalsContact O-CG 3.28Å; R422-L426 WeakPolarHBondContact O-CG 3.43Å; R422-L426 PolarHBondContact O-N 2.93Å
423L95Very high92.9Very high8 Ų865.4 Ų65.44%0.04232%0.324CS..Hα-helixtrans-59-43.4179.1-174.265.7000111.9V383 T386 D387 L390 Y419 S420 L426 K427V383-L423 HydrophobicContact CB-CD1 4.44Å; V383-L423 HydrophobicContact CG1-CD1 3.85Å; T386-L423 HydrophobicContact CG2-CB 4.19Å; D387-L423 HydrophobicContact CB-CD1 4.2Å; L390-L423 HydrophobicContact CD2-CD2 3.98Å; Y419-L423 VanDerWaalsContact O-CB 3.27Å; Y419-L423 WeakPolarHBondContact O-CB 3.16Å; Y419-L423 PolarHBondContact O-N 3.43Å; S420-L423 PolarHBondContact O-N 3.13Å; L423-L426 PolarHBondContact O-N 3.1Å; L423-K427 HydrophobicContact CG-CD 4.23Å; L423-K427 WeakPolarHBondContact O-CB 3.47Å; L423-K427 VanDerWaalsContact O-CG 3.3Å; L423-K427 WeakPolarHBondContact O-CG 3.42Å; L423-K427 PolarHBondContact O-N 2.97Å
424N94.3Very high93.1Very high98 Ų9865 Ų6552%0.52432%0.317SS..Hα-helixtrans-63.6-44.8176.5-72.2-23.8000112S420 R421 R422 K427 Q428S420-N424 PolarHBondContact O-N 3.36Å; S420-N424 PolarHBondContact O-ND2 3.18Å; R421-N424 PolarHBondContact O-N 2.94Å; R422-N424 VanDerWaalsContact C-N 3.33Å; R422-N424 PolarHBondContact O-N 3.15Å; N424-K427 PolarHBondContact O-N 2.99Å; N424-Q428 WeakPolarHBondContact O-CB 3.24Å; N424-Q428 PolarHBondContact O-N 3.37Å
425S93.5Very high93.3Very high81 Ų8162.9 Ų62.957%0.56632%0.319SS*.Hα-helixtrans-61.6-45.6176.8177.70000111.9R421 R422 Q428 H429R421-S425 PolarHBondContact O-N 3.47Å; R422-S425 PolarHBondContact O-N 3.25Å; S425-Q428 PolarHBondContact O-N 2.93Å; S425-H429 WeakPolarHBondContact O-CB 3.34Å; S425-H429 PolarHBondContact O-N 2.64Å
426L94.6Very high93.4Very high19 Ų1963.5 Ų63.510%0.09932%0.316CS..Hα-helixtrans-62.7-44.7177.5-68.5172.3000112.3L379 L382 V383 R422 L423 Q428 H429 I430L379-L426 HydrophobicContact CD2-CD2 3.81Å; L382-L426 HydrophobicContact CB-CD1 4.4Å; L382-L426 HydrophobicContact CD2-CD1 4Å; L382-L426 HydrophobicContact CD2-CD2 3.67Å; L382-L426 HydrophobicContact CD2-CG 4.5Å; L382-L426 HydrophobicContact CG-CD1 3.77Å; L382-L426 HydrophobicContact CG-CD2 4.31Å; V383-L426 HydrophobicContact CG2-CB 3.55Å; V383-L426 HydrophobicContact CG2-CD1 4.2Å; R422-L426 HydrophobicContact CG-CD1 3.91Å; R422-L426 HydrophobicContact CG-CG 4.29Å; R422-L426 VanDerWaalsContact O-CG 3.28Å; R422-L426 WeakPolarHBondContact O-CG 3.43Å; R422-L426 PolarHBondContact O-N 2.93Å; L423-L426 PolarHBondContact O-N 3.1Å; L426-Q428 VanDerWaalsContact C-N 3.34Å; L426-Q428 PolarHBondContact O-N 3.25Å; L426-H429 PolarHBondContact O-N 2.89Å; L426-I430 WeakPolarHBondContact O-CG1 3.07Å; L426-I430 PolarHBondContact O-N 3.38Å
427K95.3Very high93.4Very high92 Ų9264.4 Ų64.440%0.432%0.318SS..Hα-helixtrans-62.4-40.3177.2-75.9174.71791730112.1V383 L423 N424 K431V383-K427 HydrophobicContact CG2-CG 4.42Å; L423-K427 HydrophobicContact CG-CD 4.23Å; L423-K427 WeakPolarHBondContact O-CB 3.47Å; L423-K427 VanDerWaalsContact O-CG 3.3Å; L423-K427 WeakPolarHBondContact O-CG 3.42Å; L423-K427 PolarHBondContact O-N 2.97Å; N424-K427 PolarHBondContact O-N 2.99Å; K427-K431 WeakPolarHBondContact O-CG 3.35Å; K427-K431 PolarHBondContact O-N 3Å
428Q93.3Very high93.4Very high98 Ų9867.6 Ų67.646%0.45833%0.329SS..Hα-helixtrans-65.8-43.3176.5-17958.326.500111.2N424 S425 L426 I430 K431 E432N424-Q428 WeakPolarHBondContact O-CB 3.24Å; N424-Q428 PolarHBondContact O-N 3.37Å; S425-Q428 PolarHBondContact O-N 2.93Å; L426-Q428 VanDerWaalsContact C-N 3.34Å; L426-Q428 PolarHBondContact O-N 3.25Å; Q428-I430 PolarHBondContact O-N 3.06Å; Q428-K431 WeakPolarHBondContact O-CB 3.44Å; Q428-K431 PolarHBondContact O-N 2.82Å; Q428-K431 VanDerWaalsContact O-N 3.15Å; Q428-E432 PolarHBondContact NE2-OE1 3.47Å; Q428-E432 PolarHBondContact O-N 3.36Å; Q428-E432 VanDerWaalsContact O-N 3.13Å
429H92.3Very high93.3Very high32 Ų3270.9 Ų70.915%0.14834%0.344CS..Hα-helixtrans-64.7-38.9178.7-171.948.2000112.9Q277 L379 S425 L426 K431 E432 L433Q277-H429 VanDerWaalsContact CD-CE1 3.48Å; Q277-H429 PolarHBondContact OE1-CE1 2.76Å; Q277-H429 PolarHBondContact OE1-NE2 3.14Å; Q277-H429 VanDerWaalsContact OE1-NE2 3.1Å; L379-H429 WeakPolarHBondContact CD1-CD2 3.43Å; S425-H429 WeakPolarHBondContact O-CB 3.34Å; S425-H429 PolarHBondContact O-N 2.64Å; L426-H429 PolarHBondContact O-N 2.89Å; H429-K431 VanDerWaalsContact C-N 3.32Å; H429-K431 PolarHBondContact O-N 3.34Å; H429-E432 IonicContact ND1-OE2 3.88Å; H429-E432 PolarHBondContact O-N 3.41Å; H429-L433 PolarHBondContact O-N 3.27Å
430I93.4Very high93Very high14 Ų1470.7 Ų70.77%0.07235%0.347CS..Hα-helixtrans-57.7-45.1171.7-71.8168.4000110.8L379 R380 V383 L426 Q428 E432 L433 E434L379-I430 HydrophobicContact CB-CD1 3.93Å; L379-I430 HydrophobicContact CB-CG1 3.61Å; L379-I430 HydrophobicContact CD1-CG1 4.21Å; R380-I430 HydrophobicContact CG-CD1 3.97Å; V383-I430 HydrophobicContact CB-CD1 4.49Å; V383-I430 HydrophobicContact CG2-CD1 3.64Å; L426-I430 WeakPolarHBondContact O-CG1 3.07Å; L426-I430 PolarHBondContact O-N 3.38Å; Q428-I430 PolarHBondContact O-N 3.06Å; I430-E432 VanDerWaalsContact C-N 3.33Å; I430-E432 PolarHBondContact O-N 3.41Å; I430-L433 PolarHBondContact O-N 3.27Å; I430-E434 HydrophobicContact CG2-CG 4.11Å; I430-E434 WeakPolarHBondContact CG2-OE1 3.32Å; I430-E434 WeakPolarHBondContact O-CB 3.38Å; I430-E434 VanDerWaalsContact O-CG 3.31Å; I430-E434 WeakPolarHBondContact O-CG 3.32Å; I430-E434 PolarHBondContact O-N 3.01Å
431K94Very high92.6Very high122 Ų12270.6 Ų70.653%0.5335%0.354SS..Hα-helixtrans-60.8-41.7178.6-70.3174.4-178.3178.70112.3K427 Q428 H429 L433 E434 V435K427-K431 WeakPolarHBondContact O-CG 3.35Å; K427-K431 PolarHBondContact O-N 3Å; Q428-K431 WeakPolarHBondContact O-CB 3.44Å; Q428-K431 PolarHBondContact O-N 2.82Å; Q428-K431 VanDerWaalsContact O-N 3.15Å; H429-K431 VanDerWaalsContact C-N 3.32Å; H429-K431 PolarHBondContact O-N 3.34Å; K431-L433 VanDerWaalsContact C-N 3.35Å; K431-E434 PolarHBondContact O-N 3.16Å; K431-V435 WeakPolarHBondContact O-CG2 3.17Å; K431-V435 PolarHBondContact O-N 3.24Å
432E92.5Very high92.4Very high87 Ų8763.7 Ų63.741%0.40733%0.33SS..Hα-helixtrans-62-43.1177-71.7166.3-168.500111.7I364 Q428 H429 I430 V435 K436I364-E432 HydrophobicContact CD1-CB 4.11Å; Q428-E432 PolarHBondContact NE2-OE1 3.47Å; Q428-E432 PolarHBondContact O-N 3.36Å; Q428-E432 VanDerWaalsContact O-N 3.13Å; H429-E432 IonicContact ND1-OE2 3.88Å; H429-E432 PolarHBondContact O-N 3.41Å; I430-E432 VanDerWaalsContact C-N 3.33Å; I430-E432 PolarHBondContact O-N 3.41Å; E432-V435 PolarHBondContact O-N 3.06Å; E432-K436 PolarHBondContact O-N 3.08Å; E432-K436 VanDerWaalsContact O-N 3.08Å
433L91.9Very high92.2Very high0 Ų063.7 Ų63.70%034%0.339CS..Hα-helixtrans-69-36.5175.5-70.5174.6000112.7I364 L367 V372 R375 I376 L379 H429 I430 K431 K436 F437I364-L433 HydrophobicContact CD1-CD2 3.92Å; I364-L433 HydrophobicContact CD1-CG 4.48Å; I364-L433 HydrophobicContact CG1-CD2 3.99Å; L367-L433 HydrophobicContact CD1-CD2 3.89Å; V372-L433 HydrophobicContact CG1-CB 4.24Å; V372-L433 HydrophobicContact CG1-CD2 4.36Å; V372-L433 WeakPolarHBondContact CG1-O 3.39Å; R375-L433 HydrophobicContact CB-CD1 3.96Å; I376-L433 HydrophobicContact CD1-CB 4.01Å; I376-L433 HydrophobicContact CG1-CB 3.65Å; I376-L433 HydrophobicContact CG1-CD1 4.28Å; L379-L433 HydrophobicContact CD1-CD1 3.37Å; H429-L433 PolarHBondContact O-N 3.27Å; I430-L433 PolarHBondContact O-N 3.27Å; K431-L433 VanDerWaalsContact C-N 3.35Å; L433-K436 CarbonylContact O-C 3.57Å; L433-K436 WeakPolarHBondContact O-CB 3.11Å; L433-K436 PolarHBondContact O-N 2.75Å; L433-F437 WeakPolarHBondContact O-CB 3.34Å; L433-F437 PolarHBondContact O-N 2.93Å
434E93.4Very high91.8Very high63 Ų6369 Ų6929%0.29437%0.367SS..Hα-helixtrans-63.7-40175.2-76.3174164.200111.5I376 R380 I430 K431 F437 N438I376-E434 HydrophobicContact CD1-CG 4.08Å; R380-E434 IonicContact CZ-OE1 3.82Å; R380-E434 IonicContact NE-OE1 3.75Å; R380-E434 IonicContact NH2-OE1 2.8Å; R380-E434 PolarHBondContact NH2-OE1 3Å; I430-E434 HydrophobicContact CG2-CG 4.11Å; I430-E434 WeakPolarHBondContact CG2-OE1 3.32Å; I430-E434 WeakPolarHBondContact O-CB 3.38Å; I430-E434 VanDerWaalsContact O-CG 3.31Å; I430-E434 WeakPolarHBondContact O-CG 3.32Å; I430-E434 PolarHBondContact O-N 3.01Å; K431-E434 PolarHBondContact O-N 3.16Å; E434-F437 PolarHBondContact O-N 3.03Å; E434-N438 VanDerWaalsContact O-CG 3.31Å; E434-N438 PolarHBondContact O-N 3.44Å; E434-N438 PolarHBondContact O-ND2 3.43Å; E434-N438 VanDerWaalsContact O-ND2 3.09Å
435V93.2Very high91.4Very high86 Ų8665.4 Ų65.452%0.52135%0.351SS..Hα-helixtrans-62.1-45.1171.81720000110.6K431 E432 F437 N438 N439K431-V435 WeakPolarHBondContact O-CG2 3.17Å; K431-V435 PolarHBondContact O-N 3.24Å; E432-V435 PolarHBondContact O-N 3.06Å; V435-F437 PolarHBondContact O-N 2.92Å; V435-N438 PolarHBondContact O-N 2.92Å; V435-N439 WeakPolarHBondContact O-CB 3.48Å; V435-N439 VanDerWaalsContact O-CG 3.22Å; V435-N439 PolarHBondContact O-N 3.26Å; V435-N439 PolarHBondContact O-ND2 2.95Å
436K91.2Very high91.2Very high44 Ų4463.8 Ų63.819%0.19133%0.333CS..Hα-helixtrans-62.5-41.6176.2-179.760.6169.9177.20112I364 T365 V372 E432 L433 N438 N439 L440I364-K436 VanDerWaalsContact O-CE 3.29Å; I364-K436 WeakPolarHBondContact O-CE 3.43Å; T365-K436 PolarHBondContact O-NZ 3.27Å; V372-K436 HydrophobicContact CG2-CG 4Å; E432-K436 PolarHBondContact O-N 3.08Å; E432-K436 VanDerWaalsContact O-N 3.08Å; L433-K436 CarbonylContact O-C 3.57Å; L433-K436 WeakPolarHBondContact O-CB 3.11Å; L433-K436 PolarHBondContact O-N 2.75Å; K436-N438 PolarHBondContact O-N 3.12Å; K436-N439 PolarHBondContact O-N 3.05Å; K436-L440 HydrophobicContact CD-CD1 4.26Å; K436-L440 HydrophobicContact CD-CG 4.23Å; K436-L440 HydrophobicContact CG-CD1 4.14Å; K436-L440 WeakPolarHBondContact O-CG 3.45Å; K436-L440 PolarHBondContact O-N 2.57Å
437F92Very high90.8Very high26 Ų2666.5 Ų66.511%0.11435%0.35CS..Hα-helixtrans-58.9-47.1177.4-176.8-99.5000111.3I369 V372 A373 I376 L433 E434 V435 N439 L440 G442 Y446I369-F437 HydrophobicContact CD1-CD2 4.33Å; I369-F437 HydrophobicContact CD1-CE2 4.11Å; I369-F437 HydrophobicContact CG1-CD2 3.84Å; I369-F437 HydrophobicContact CG1-CE2 3.74Å; V372-F437 HydrophobicContact CG1-CB 3.78Å; V372-F437 HydrophobicContact CG1-CD2 4.2Å; V372-F437 HydrophobicContact CG1-CG 4.5Å; A373-F437 HydrophobicContact CB-CD2 4.42Å; A373-F437 HydrophobicContact CB-CE2 4Å; I376-F437 HydrophobicContact CD1-CB 4.1Å; I376-F437 HydrophobicContact CD1-CG 4.47Å; L433-F437 WeakPolarHBondContact O-CB 3.34Å; L433-F437 PolarHBondContact O-N 2.93Å; E434-F437 PolarHBondContact O-N 3.03Å; V435-F437 PolarHBondContact O-N 2.92Å; F437-N439 PolarHBondContact O-N 3.38Å; F437-L440 PolarHBondContact O-N 3.13Å; F437-G442 PolarHBondContact O-N 2.98Å; F437-Y446 HydrophobicContact CE2-CD2 4.17Å; F437-Y446 HydrophobicContact CE2-CG 4.19Å; F437-Y446 HydrophobicContact CZ-CG 4.33Å
438N91.6Very high90.3Very high109 Ų10967.9 Ų67.958%0.58336%0.356SS*.Hα-helixtrans-63.6-41.4176-69.1-34.3000112E434 V435 K436 L440 G441E434-N438 VanDerWaalsContact O-CG 3.31Å; E434-N438 PolarHBondContact O-N 3.44Å; E434-N438 PolarHBondContact O-ND2 3.43Å; E434-N438 VanDerWaalsContact O-ND2 3.09Å; V435-N438 PolarHBondContact O-N 2.92Å; K436-N438 PolarHBondContact O-N 3.12Å; N438-L440 PolarHBondContact O-N 3.23Å; N438-G441 PolarHBondContact O-N 3.49Å; N438-G441 VanDerWaalsContact O-N 3.11Å
439N91Very high89.9Confident127 Ų12763.5 Ų63.568%0.67934%0.337SS*.Hα-helixtrans-65.2-25.4176.6-71.5-17.9000113.4V435 K436 F437 G441V435-N439 WeakPolarHBondContact O-CB 3.48Å; V435-N439 VanDerWaalsContact O-CG 3.22Å; V435-N439 PolarHBondContact O-N 3.26Å; V435-N439 PolarHBondContact O-ND2 2.95Å; K436-N439 PolarHBondContact O-N 3.05Å; F437-N439 PolarHBondContact O-N 3.38Å; N439-G441 VanDerWaalsContact C-N 3.28Å
440L87.9Confident89.3Confident58 Ų5865.3 Ų65.330%0.30435%0.345SS..THydrogen-bonded Turntrans-84.31.9175.8-69.8173.3000113.4I369 V372 K436 F437 N438 A445I369-L440 HydrophobicContact CB-CB 4.21Å; I369-L440 HydrophobicContact CB-CD1 4.1Å; I369-L440 HydrophobicContact CD1-CB 3.94Å; I369-L440 HydrophobicContact CG1-CB 4.23Å; V372-L440 HydrophobicContact CG2-CD1 4Å; K436-L440 HydrophobicContact CD-CD1 4.26Å; K436-L440 HydrophobicContact CD-CG 4.23Å; K436-L440 HydrophobicContact CG-CD1 4.14Å; K436-L440 WeakPolarHBondContact O-CG 3.45Å; K436-L440 PolarHBondContact O-N 2.57Å; F437-L440 PolarHBondContact O-N 3.13Å; N438-L440 PolarHBondContact O-N 3.23Å; L440-A445 WeakPolarHBondContact O-CB 3.41Å
441G86.3Confident88.7Confident45 Ų4567.5 Ų67.546%0.46436%0.362SS..THydrogen-bonded Turntrans104.45.2178.100000115N438 N439 A445N438-G441 PolarHBondContact O-N 3.49Å; N438-G441 VanDerWaalsContact O-N 3.11Å; N439-G441 VanDerWaalsContact C-N 3.28Å; G441-A445 PolarHBondContact O-N 2.6Å
442G89.5Confident87.9Confident7 Ų762.6 Ų62.67%0.07234%0.342CS..Hα-helixtrans58.1-147.4173.100000113.9I369 F437 L444 A445 Y446I369-G442 VanDerWaalsContact CD1-O 3.28Å; I369-G442 WeakPolarHBondContact CD1-O 3.47Å; F437-G442 PolarHBondContact O-N 2.98Å; G442-L444 PolarHBondContact O-N 3.5Å; G442-L444 VanDerWaalsContact O-N 3.16Å; G442-A445 PolarHBondContact O-N 2.77Å; G442-A445 VanDerWaalsContact O-N 3.08Å; G442-Y446 PolarHBondContact O-N 3.21Å
443D89.1Confident86.9Confident122 Ų12258.8 Ų58.865%0.65233%0.325SS*.Hα-helixtrans-56.9-35.1-173.5-59.9-35.4000113.5Y446 T447D443-Y446 PolarHBondContact O-N 3.09Å; D443-T447 WeakPolarHBondContact O-CB 3.46Å; D443-T447 WeakPolarHBondContact O-CG2 3.38Å; D443-T447 PolarHBondContact O-N 2.98Å; D443-T447 PolarHBondContact O-OG1 3.37Å
444L87.5Confident85.8Confident118 Ų11864 Ų6462%0.61835%0.349SS*.Hα-helixtrans-67.3-41.7178.6-178.764000112.1G442 Y446 T447 K448G442-L444 PolarHBondContact O-N 3.5Å; G442-L444 VanDerWaalsContact O-N 3.16Å; L444-Y446 VanDerWaalsContact C-N 3.34Å; L444-T447 PolarHBondContact O-OG1 2.69Å; L444-K448 VanDerWaalsContact O-CG 3.28Å; L444-K448 WeakPolarHBondContact O-CG 3.11Å; L444-K448 PolarHBondContact O-N 3.29Å
445A86.5Confident84.5Confident24 Ų2469.1 Ų69.120%0.19837%0.366CS..Hα-helixtrans-73.3-32.2176.800000111.2I369 L440 G441 G442 K448 A449I369-A445 HydrophobicContact CD1-CB 3.49Å; I369-A445 VanDerWaalsContact CD1-CB 3.49Å; L440-A445 WeakPolarHBondContact O-CB 3.41Å; G441-A445 PolarHBondContact O-N 2.6Å; G442-A445 PolarHBondContact O-N 2.77Å; G442-A445 VanDerWaalsContact O-N 3.08Å; A445-K448 PolarHBondContact O-N 3.38Å; A445-A449 WeakPolarHBondContact O-CB 3.25Å; A445-A449 PolarHBondContact O-N 3.13Å
446Y88.3Confident82.8Confident47 Ų4765.3 Ų65.318%0.18434%0.343CS..Hα-helixtrans-66-49.4176.9178.9-102.5000111.4I369 A373 F437 G442 D443 L444 K448 A449 E450I369-Y446 HydrophobicContact CG1-CD2 4.46Å; A373-Y446 HydrophobicContact CB-CD2 3.57Å; A373-Y446 HydrophobicContact CB-CE2 3.23Å; F437-Y446 HydrophobicContact CE2-CD2 4.17Å; F437-Y446 HydrophobicContact CE2-CG 4.19Å; F437-Y446 HydrophobicContact CZ-CG 4.33Å; G442-Y446 PolarHBondContact O-N 3.21Å; D443-Y446 PolarHBondContact O-N 3.09Å; L444-Y446 VanDerWaalsContact C-N 3.34Å; Y446-K448 VanDerWaalsContact C-N 3.27Å; Y446-K448 PolarHBondContact O-N 3.03Å; Y446-A449 PolarHBondContact O-N 3.4Å; Y446-A449 VanDerWaalsContact O-N 3.11Å; Y446-E450 HydrophobicContact CD1-CG 4.32Å; Y446-E450 HydrophobicContact CE1-CG 3.77Å; Y446-E450 VanDerWaalsContact CE1-OE1 3.29Å; Y446-E450 WeakPolarHBondContact CE1-OE1 3.42Å; Y446-E450 VanDerWaalsContact CE1-OE2 3.24Å; Y446-E450 WeakPolarHBondContact CE1-OE2 3.31Å; Y446-E450 HydrophobicContact CE2-CG 4.15Å; Y446-E450 PolarHBondContact O-N 3.38Å; Y446-E450 VanDerWaalsContact OH-CD 3.29Å; Y446-E450 PolarHBondContact OH-OE1 2.84Å
447T85.8Confident81Confident75 Ų7565.3 Ų65.346%0.4635%0.348SS..Hα-helixtrans-60.2-35.2176500000112.7D443 L444 S451D443-T447 WeakPolarHBondContact O-CB 3.46Å; D443-T447 WeakPolarHBondContact O-CG2 3.38Å; D443-T447 PolarHBondContact O-N 2.98Å; D443-T447 PolarHBondContact O-OG1 3.37Å; L444-T447 PolarHBondContact O-OG1 2.69Å; T447-S451 WeakPolarHBondContact O-CB 3.37Å; T447-S451 PolarHBondContact O-N 3.08Å
448K85.8Confident78.5Confident121 Ų12167.3 Ų67.353%0.52637%0.365SS..Hα-helixtrans-65.5-47.2172-72.9175.6-179.8-175.10112.2L444 A445 Y446 E450 S451 I452L444-K448 VanDerWaalsContact O-CG 3.28Å; L444-K448 WeakPolarHBondContact O-CG 3.11Å; L444-K448 PolarHBondContact O-N 3.29Å; A445-K448 PolarHBondContact O-N 3.38Å; Y446-K448 VanDerWaalsContact C-N 3.27Å; Y446-K448 PolarHBondContact O-N 3.03Å; K448-E450 VanDerWaalsContact C-N 3.34Å; K448-S451 PolarHBondContact O-N 2.98Å; K448-I452 WeakPolarHBondContact O-CG1 3.04Å; K448-I452 PolarHBondContact O-N 3.39Å
449A84.1Confident75.9Confident7 Ų772.9 Ų72.96%0.05838%0.378CS..Hα-helixtrans-64.5-38.417800000112.1G308 I369 A445 Y446 I452 A453G308-A449 WeakPolarHBondContact O-CB 3.3Å; I369-A449 HydrophobicContact CG2-CB 3.51Å; A445-A449 WeakPolarHBondContact O-CB 3.25Å; A445-A449 PolarHBondContact O-N 3.13Å; Y446-A449 PolarHBondContact O-N 3.4Å; Y446-A449 VanDerWaalsContact O-N 3.11Å; A449-I452 PolarHBondContact O-N 2.98Å; A449-A453 WeakPolarHBondContact O-CB 3.25Å; A449-A453 PolarHBondContact O-N 3.24Å
450E80.9Confident73.4Confident69 Ų6971.2 Ų71.232%0.32238%0.382SS..Hα-helixtrans-62-45.5171-83.3-166.1145.300111.1Y446 K448 I452 A453 E454Y446-E450 HydrophobicContact CD1-CG 4.32Å; Y446-E450 HydrophobicContact CE1-CG 3.77Å; Y446-E450 VanDerWaalsContact CE1-OE1 3.29Å; Y446-E450 WeakPolarHBondContact CE1-OE1 3.42Å; Y446-E450 VanDerWaalsContact CE1-OE2 3.24Å; Y446-E450 WeakPolarHBondContact CE1-OE2 3.31Å; Y446-E450 HydrophobicContact CE2-CG 4.15Å; Y446-E450 PolarHBondContact O-N 3.38Å; Y446-E450 VanDerWaalsContact OH-CD 3.29Å; Y446-E450 PolarHBondContact OH-OE1 2.84Å; K448-E450 VanDerWaalsContact C-N 3.34Å; E450-I452 PolarHBondContact O-N 3.44Å; E450-A453 CarbonylContact O-C 3.51Å; E450-A453 PolarHBondContact O-N 3.46Å; E450-E454 WeakPolarHBondContact O-CB 3.5Å; E450-E454 WeakPolarHBondContact O-CG 3.3Å; E450-E454 PolarHBondContact O-N 2.74Å
451S81Confident71.1Confident61 Ų6174.6 Ų74.643%0.42741%0.405SS..Hα-helixtrans-60.6-33.4176.7-176.30000112.9T447 K448T447-S451 WeakPolarHBondContact O-CB 3.37Å; T447-S451 PolarHBondContact O-N 3.08Å; K448-S451 PolarHBondContact O-N 2.98Å
452I76.2Confident68.4Low19 Ų1979.9 Ų79.910%0.09742%0.421CS..Hα-helixtrans-68.4-46.4172.7-64.9164.6000110.3E310 K448 A449 E450 R455E310-I452 HydrophobicContact CG-CD1 3.58Å; K448-I452 WeakPolarHBondContact O-CG1 3.04Å; K448-I452 PolarHBondContact O-N 3.39Å; A449-I452 PolarHBondContact O-N 2.98Å; E450-I452 PolarHBondContact O-N 3.44Å; I452-R455 VanDerWaalsContact O-CB 3.32Å; I452-R455 WeakPolarHBondContact O-CB 3.15Å; I452-R455 PolarHBondContact O-N 2.87Å
453A71.3Confident65.8Low7 Ų786.8 Ų86.86%0.05846%0.456CS..Hα-helixtrans-71.1-30.4-179.600000113.4A449 E450 R455 L456 S457A449-A453 WeakPolarHBondContact O-CB 3.25Å; A449-A453 PolarHBondContact O-N 3.24Å; E450-A453 CarbonylContact O-C 3.51Å; E450-A453 PolarHBondContact O-N 3.46Å; A453-R455 PolarHBondContact O-N 3.48Å; A453-L456 CarbonylContact O-C 3.48Å; A453-L456 WeakPolarHBondContact O-CA 3.29Å; A453-L456 WeakPolarHBondContact O-CB 3.29Å; A453-L456 PolarHBondContact O-N 3.17Å; A453-S457 PolarHBondContact O-N 2.8Å; A453-S457 VanDerWaalsContact O-N 3.09Å
454E68.7Low63Low109 Ų10987.8 Ų87.851%0.50946%0.461SS..Hα-helixtrans-64.4-24.6175.8-83-176164.400111.8E450 L456 S457 S458E450-E454 WeakPolarHBondContact O-CB 3.5Å; E450-E454 WeakPolarHBondContact O-CG 3.3Å; E450-E454 PolarHBondContact O-N 2.74Å; E454-L456 PolarHBondContact O-N 3.19Å; E454-S457 PolarHBondContact O-N 2.91Å; E454-S458 PolarHBondContact O-OG 3.11Å
455R66.2Low60.5Low170 Ų17089.2 Ų89.264%0.64247%0.47SS*.THydrogen-bonded Turntrans-58.4-18.3167.9-59.8178.1-173.1178.42.3112.1K289 I452 A453K289-R455 WeakPolarHBondContact CB-O 3.38Å; I452-R455 VanDerWaalsContact O-CB 3.32Å; I452-R455 WeakPolarHBondContact O-CB 3.15Å; I452-R455 PolarHBondContact O-N 2.87Å; A453-R455 PolarHBondContact O-N 3.48Å
456L57.8Low57.9Low7 Ų793.2 Ų93.24%0.03749%0.492CS..THydrogen-bonded Turntrans-117.4-5.8177.3-61.3177.3000114.6L285 D286 C290 L305 A453 E454L285-L456 HydrophobicContact CD1-CD1 4.37Å; D286-L456 WeakPolarHBondContact CB-O 3.32Å; D286-L456 PolarHBondContact N-O 3.41Å; C290-L456 HydrophobicContact CB-CD2 4.28Å; L305-L456 HydrophobicContact CB-CD1 4.12Å; L305-L456 HydrophobicContact CD2-CD1 3.36Å; L305-L456 HydrophobicContact CD2-CD2 3.56Å; L305-L456 HydrophobicContact CD2-CG 3.63Å; L305-L456 HydrophobicContact CG-CD1 3.7Å; L305-L456 HydrophobicContact CG-CG 4.25Å; A453-L456 CarbonylContact O-C 3.48Å; A453-L456 WeakPolarHBondContact O-CA 3.29Å; A453-L456 WeakPolarHBondContact O-CB 3.29Å; A453-L456 PolarHBondContact O-N 3.17Å; E454-L456 PolarHBondContact O-N 3.19Å
457S52.7Low55.3Low44 Ų4498.2 Ų98.231%0.30852%0.522SS..  trans-158.186.9-170173.60000111.8A453 E454A453-S457 PolarHBondContact O-N 2.8Å; A453-S457 VanDerWaalsContact O-N 3.09Å; E454-S457 PolarHBondContact O-N 2.91Å
458S41Very low52.6Low67 Ų67101 Ų10147%0.46954%0.539SS..  trans-129.575164-37.60000109.5K289 E454K289-S458 PolarHBondContact NZ-O 2.8Å; E454-S458 PolarHBondContact O-OG 3.11Å
459R36.7Very low50.2Low226 Ų226100.4 Ų100.485%0.85355%0.55SS**  trans-132.581.7148.5-165.9158.7-174160.7-0.9107.7V461R459-V461 PolarHBondContact O-N 3.31Å
460A37.5Very low47.9Very low93 Ų93108.7 Ų108.777%0.76959%0.585SS**  trans-58.8124.1171.500000109.1I462A460-I462 PolarHBondContact O-N 2.95Å
461V39.4Very low45.6Very low129 Ų129111.9 Ų111.978%0.78260%0.602SS**  trans-48.6125.1168178.10000109R459 N463R459-V461 PolarHBondContact O-N 3.31Å; V461-N463 PolarHBondContact O-N 3.38Å
462I31Very low43.3Very low156 Ų156119.4 Ų119.480%0.862%0.622SS**  trans-62.8101.8176.5-63.8167.4000107.5A460A460-I462 PolarHBondContact O-N 2.95Å
463N35.2Very low41.2Very low152 Ų152123.4 Ų123.481%0.81365%0.651SS**  trans-94.7120.6169.6-115.12.4000109.4V461V461-N463 PolarHBondContact O-N 3.38Å
464N30.2Very low39.4Very low142 Ų142128.5 Ų128.576%0.75968%0.681SS**  trans-53.6128.9175.1-69.8-41.1000111.9
465N34.2Very low37.6Very low149 Ų149129.7 Ų129.780%0.79769%0.691SS**  trans-147129.8146.9-106-17.9000110.9
466T31.8Very low36Very low107 Ų107126.8 Ų126.866%0.65669%0.692SS**  trans60.694.8152.863.50000117.2
467N33.1Very low34.8Very low153 Ų153135.3 Ų135.382%0.81873%0.729SS**  175.2124.196.5-85.6-30.5000110.8S469N467-S469 PolarHBondContact O-N 2.98Å
468T29.1Very low33.9Very low134 Ų134138.3 Ų138.382%0.82275%0.75SS**  trans-54.7117.5168.450.20000110.9
469S36.9Very low33.5Very low108 Ų108141.5 Ų141.576%0.75576%0.761SS**  175.5133.2129.936.60000111.9N467N467-S469 PolarHBondContact O-N 2.98Å
470K36.1Very low33.4Very low181 Ų181137.9 Ų137.979%0.78775%0.754SS**  trans84.3106.7154.6-70.4175.7179.6176.30119.6
471I32.4Very low33.4Very low135 Ų135139.2 Ų139.269%0.69275%0.748SS**  88.7107116.8-66.8169000116.9
472R32.5Very low33.6Very low220 Ų220139.4 Ų139.483%0.8375%0.745SS**  trans66.7120.4132.6-72.7-178.9173.6170.4-4.8120.2
473S31.4Very low34Very low102 Ų102138.1 Ų138.171%0.71374%0.74SS**  80.5142.1120.970.90000118.4
474V34Very low34.4Very low114 Ų114138.5 Ų138.569%0.69174%0.737SS**  cis179.7136.8-13.1143.80000102.9
475N30.5Very low35.1Very low134 Ų134136.6 Ų136.672%0.71773%0.734SS**  trans58.5155.4156.2-65-9.9000118.3
476T32.5Very low35.3Very low109 Ų109136.4 Ų136.467%0.66973%0.733SS**  cis-167.9130.536.26.80000105.7
477K32.7Very low35.5Very low186 Ų186138.5 Ų138.581%0.80974%0.74SS**  66.3115.799.8-67.7-173.8-178.7-174.90115.7
478S33.3Very low35.9Very low108 Ų108136.6 Ų136.676%0.75574%0.739SS**  163.3144.2129.352.50000109.4
479L33Very low36.3Very low134 Ų134139.7 Ų139.770%0.70274%0.741SS**  cis178.5155.3-3.7-105.2156.4000103.6
480E35.1Very low36.5Very low149 Ų149140.8 Ų140.870%0.69674%0.739SS**  trans70.1128.7145-69165.2-167.500116.3
481D38Very low36.9Very low121 Ų121136.4 Ų136.465%0.64773%0.731SS**  cis-173.1158.728-86.5-28.6000109.5
482D42Very low37.5Very low133 Ų133137 Ų13771%0.71174%0.735SS**  trans60.8145.9142.2-57.3-13.8000119.6
483D40.2Very low37.8Very low129 Ų129131.9 Ų131.969%0.6973%0.731SS**  cis-169.7150.312.4-111.8-28.9000108.7
484E43.7Very low38.7Very low161 Ų161135.1 Ų135.175%0.75274%0.74SS**  trans54.8123.2140.9-58.9-166156.200125.7
485S43.6Very low39.1Very low101 Ų101136.9 Ų136.971%0.70675%0.746SS**  69.3153.1124.5830000119.2
486D38.7Very low39.5Very low145 Ų145134 Ų13478%0.77574%0.741SS**  cis-161.5163.22.6-137.6-21.8000109.8
487N36Very low39.7Very low151 Ų151134.2 Ų134.281%0.80774%0.742SS**  trans-78147.3178.3-62-75.5000112.8
488S42.4Very low39.9Very low114 Ų114131.6 Ų131.680%0.79774%0.737SS**  trans-171.4103.4140.862.50000112.4
489F37.1Very low40Very low198 Ų198133.2 Ų133.287%0.86874%0.737SS**  trans-104.893.7148.3-17667.5000105.8
490D41.7Very low40.2Very low132 Ų132131.7 Ų131.771%0.70674%0.738SS**  trans-73.5126.3-177.4-144.5-6.4000109.2
491S43.3Very low40.1Very low88 Ų88133.6 Ų133.662%0.61574%0.744SS**  trans-119.6102.3168.6-67.10000106.1
492D45.1Very low40Very low147 Ų147135 Ų13579%0.78675%0.751SS**  trans-55.7130.6173.8-77.2-46.6000110.8
493P40.1Very low39.5Very low113 Ų113135.9 Ų135.973%0.73476%0.756SS**  trans-99.7127.4167.534-23.6000110.1
494D48.9Very low39.2Very low171 Ų171135.2 Ų135.291%0.91476%0.762SS**  trans-116.2112.4160.8-89.4-34.5000110.5
495D42.2Very low38.6Very low150 Ų150133.2 Ų133.280%0.80276%0.76SS**  trans-58135.7169.8-178.222.9000112
496A38.9Very low38Very low75 Ų75133.4 Ų133.462%0.6276%0.757SS**  170.9105.2126.800000112.2
497T37.7Very low37.7Very low113 Ų113133.1 Ų133.169%0.69376%0.755SS**  trans79.7116.2131.2640000121.5
498N36Very low37.4Very low130 Ų130130.9 Ų130.970%0.69575%0.752SS**  108.6107.2125.7-77.4-21.7000118.5
499N35.6Very low36.8Very low143 Ų143130.5 Ų130.577%0.76575%0.749SS**  55.2123.9124.6-66.3-22.5000116.4
500S38.2Very low36.5Very low102 Ų102125.7 Ų125.771%0.71374%0.74SS**  cis-178.5138.745.442.40000110.8
501K33.2Very low36Very low189 Ų189127 Ų12782%0.82275%0.747SS**  trans36.5119.4130.8-66175.2173.1172.40119.8
502D35.9Very low35.4Very low150 Ų150130.3 Ų130.380%0.80276%0.757SS**  168.8106.4112.5-81.8-23.1000109.1
503N31Very low35.1Very low152 Ų152129.9 Ų129.981%0.81375%0.75SS**  56.6101.883.6-94.7-1000116.8
504S34.1Very low35Very low115 Ų115129.7 Ų129.780%0.80476%0.758SS**  trans179.792.813957.50000108.5
505T29.8Very low35.2Very low119 Ų119125.1 Ų125.173%0.7375%0.751SS**  68.3127.274.1-22.10000116.5
506V32.1Very low36.1Very low105 Ų105121.5 Ų121.564%0.63673%0.734SS**  trans76.3109.9151.4-134.50000121.2
507N32.3Very low37.7Very low138 Ų138129.2 Ų129.274%0.73875%0.747SS**  166.6110.7107.2-86.3-42.7000108.7
508S29.8Very low40Very low104 Ų104127.1 Ų127.173%0.72773%0.727SS**  59.4112.591.3-56.60000110.1
509S30.7Very low42.5Very low107 Ų107124 Ų12475%0.74871%0.713SS**  cis-175.7158.447.245.60000110.4
510S29.8Very low45Very low96 Ų96117.2 Ų117.267%0.67168%0.676SS**  trans58.9100.2155.261.40000118.7
511D31Very low47.6Very low159 Ų159117.4 Ų117.485%0.8566%0.662SS**  -169.295.6124.9-89.3-21.3000109
512L31.8Very low50.4Low159 Ų159108.4 Ų108.483%0.83262%0.623SS**THydrogen-bonded Turntrans-72.7137.2166.3-77.4127000108.1
513H38.8Very low53.1Low138 Ų138102.9 Ų102.964%0.63960%0.596SS**THydrogen-bonded Turntrans115.70168.8-63.769.3000117.6G515H513-G515 PolarHBondContact O-N 3.49Å
514A38.5Very low56Low109 Ų10995.9 Ų95.990%0.90156%0.559SS**THydrogen-bonded Turntrans-76.618-176.900000117
515G52.8Low58.7Low74 Ų7494.3 Ų94.376%0.76354%0.542SS*.THydrogen-bonded Turntrans-112.9-15.4-173.600000116.5H513 R517H513-G515 PolarHBondContact O-N 3.49Å; G515-R517 PolarHBondContact O-N 3.23Å
516T60.3Low61.6Low74 Ų7495.3 Ų95.345%0.45453%0.533SS..  trans-93.1108.2-169.9-34.80000110.2Y518 L547T516-Y518 HydrophobicContact CG2-CE1 4.41Å; T516-Y518 PolarHBondContact O-N 2.93Å; T516-L547 HydrophobicContact CG2-CD2 3.63Å
517R72.2Confident64.5Low238 Ų23895.9 Ų95.990%0.89853%0.528SS*.  trans-76.2105177.1-160.3178.4-160.1169.64.8109.3G515G515-R517 PolarHBondContact O-N 3.23Å
518Y86.2Confident67.2Low69 Ų6992 Ų9227%0.27150%0.504SS..  trans-72.4145.5173.4-52.6-63000110.6T516 Y545 V546 L547 V560 Y580T516-Y518 HydrophobicContact CG2-CE1 4.41Å; T516-Y518 PolarHBondContact O-N 2.93Å; Y518-Y545 HydrophobicContact CD1-CG 4.43Å; Y518-Y545 HydrophobicContact CD2-CD1 4.38Å; Y518-Y545 HydrophobicContact CD2-CG 4.42Å; Y518-Y545 HydrophobicContact CG-CD1 4.48Å; Y518-Y545 HydrophobicContact CG-CG 4.38Å; Y518-V546 WeakPolarHBondContact CA-O 3.5Å; Y518-L547 HydrophobicContact CD1-CD2 4.06Å; Y518-L547 HydrophobicContact CE1-CD2 4.02Å; Y518-V560 HydrophobicContact CD1-CG1 4.46Å; Y518-V560 HydrophobicContact CE1-CG1 3.8Å; Y518-Y580 WeakPolarHBondContact O-CD2 3.24Å
519V87.9Confident70Confident64 Ų6495.4 Ų95.439%0.38851%0.508SS..  trans-93-12.6177-93.40000113.1V546 L547 V549 L579 Y580V519-V546 HydrophobicContact CG2-CB 4.23Å; V519-V546 HydrophobicContact CG2-CG1 3.85Å; V519-V546 WeakPolarHBondContact CG2-O 3.46Å; V519-V546 PolarHBondContact N-O 3.49Å; V519-L547 WeakPolarHBondContact CG2-O 3.12Å; V519-V549 HydrophobicContact CB-CG2 4.45Å; V519-V549 HydrophobicContact CG2-CG2 4.18Å; V519-L579 WeakPolarHBondContact O-CA 3.39Å; V519-L579 WeakPolarHBondContact O-CD2 3.26Å; V519-Y580 PolarHBondContact O-N 2.89Å
520G89.8Confident72.4Confident0 Ų091.1 Ų91.10%048%0.481CS..EExtended strand (participates in β ladder)trans174.5-168.6177.700000112.7V546 T578 Y580G520-V546 PolarHBondContact O-N 3.31Å; G520-T578 CarbonylContact C-O 3.6Å; G520-T578 WeakPolarHBondContact CA-O 3.45Å; G520-Y580 VanDerWaalsContact CA-CD2 3.48Å; G520-Y580 VanDerWaalsContact N-CD2 3.3Å
521Y91.9Very high74.9Confident107 Ų10790.9 Ų90.942%0.4247%0.473SS..EExtended strand (participates in β ladder)trans-120.9156.7166.666.6-87.1000110.6Y544 T578Y521-Y544 CarbonylContact C-O 3.48Å; Y521-Y544 WeakPolarHBondContact CA-O 3.32Å; Y521-T578 HydrophobicContact CD1-CG2 4.32Å; Y521-T578 VanDerWaalsContact CE1-CB 3.48Å; Y521-T578 HydrophobicContact CE1-CG2 3.48Å; Y521-T578 VanDerWaalsContact CE1-CG2 3.48Å; Y521-T578 HydrophobicContact CE2-CG2 4.39Å; Y521-T578 PolarHBondContact N-O 3.16Å; Y521-T578 PolarHBondContact O-N 3.08Å; Y521-T578 WeakPolarHBondContact OH-CG2 3.32Å
522A91.2Very high76.9Confident0 Ų085.7 Ų85.70%046%0.457CS..EExtended strand (participates in β ladder)trans-136.3140.7179.600000110.8L543 Y544 V546 I575 N576 L577A522-L543 WeakPolarHBondContact O-CA 3.28Å; A522-Y544 PolarHBondContact N-O 3.21Å; A522-Y544 PolarHBondContact O-N 3.32Å; A522-V546 HydrophobicContact CB-CG2 3.7Å; A522-I575 HydrophobicContact CB-CB 4.16Å; A522-I575 HydrophobicContact CB-CD1 3.92Å; A522-N576 CarbonylContact C-O 3.59Å; A522-N576 VanDerWaalsContact CA-O 3.25Å; A522-N576 WeakPolarHBondContact CA-O 3.38Å; A522-L577 HydrophobicContact CB-CG 4.3Å
523S93.6Very high79.1Confident34 Ų3483.6 Ų83.624%0.23845%0.45CS..EExtended strand (participates in β ladder)trans-113.9131.7171.462.10000111.1L525 E542 I575 N576S523-L525 PolarHBondContact O-N 3.47Å; S523-E542 WeakPolarHBondContact CA-O 3.46Å; S523-I575 CarbonylContact O-C 3.49Å; S523-I575 VanDerWaalsContact O-CA 3.26Å; S523-I575 WeakPolarHBondContact O-CA 3.38Å; S523-N576 PolarHBondContact N-O 3.03Å; S523-N576 PolarHBondContact O-N 2.92Å
524A91.9Very high81.3Confident4 Ų480 Ų803%0.03344%0.439CS..EExtended strand (participates in β ladder)trans-68.7126.2178.100000111.4K539 P540 G541 E542 Y544 Y574 I575A524-K539 VanDerWaalsContact CB-O 3.29Å; A524-K539 WeakPolarHBondContact CB-O 3.22Å; A524-P540 WeakPolarHBondContact O-CA 3.49Å; A524-G541 PolarHBondContact O-N 2.84Å; A524-E542 HydrophobicContact CB-CB 4.49Å; A524-E542 PolarHBondContact N-O 3.44Å; A524-Y544 HydrophobicContact CB-CE2 4.26Å; A524-Y574 CarbonylContact C-O 3.59Å; A524-I575 HydrophobicContact CB-CG2 4.5Å
525L90.5Very high83.8Confident83 Ų8378.5 Ų78.544%0.43541%0.41SS..  trans-90.5-31.9178.1-66.2174.7000112.4S523 Y574 N576S523-L525 PolarHBondContact O-N 3.47Å; L525-Y574 PolarHBondContact N-O 2.91Å; L525-N576 HydrophobicContact CD1-CB 4.15Å; L525-N576 HydrophobicContact CD2-CB 4.06Å; L525-N576 HydrophobicContact CG-CB 4.11Å
526Y90.7Very high85.5Confident139 Ų13975.2 Ų75.255%0.54538%0.375SS..SBendtrans-133.8156.4-176.3-55.8-71.9000110.6T538 Y574Y526-T538 PolarHBondContact O-OG1 3.03Å; Y526-Y574 VanDerWaalsContact CB-CD1 3.49Å; Y526-Y574 HydrophobicContact CD2-CD1 4.49Å; Y526-Y574 HydrophobicContact CD2-CD2 4.47Å; Y526-Y574 HydrophobicContact CD2-CG 4.3Å; Y526-Y574 HydrophobicContact CG-CD1 4.46Å
527E92.4Very high86.9Confident117 Ų11773.8 Ų73.855%0.54737%0.371SS..  trans-74.7132.9174-167.3160.6-153.100110.1T538 P540 Y574E527-T538 VanDerWaalsContact CA-O 3.25Å; E527-T538 WeakPolarHBondContact CA-O 2.96Å; E527-P540 HydrophobicContact CB-CG 4.36Å; E527-Y574 WeakPolarHBondContact O-CE1 3.36Å
528Y89.8Confident87.6Confident57 Ų5762.5 Ų62.522%0.22433%0.328CS..BIsolated β-bridgetrans-134.7126.8175.3173.3-103.3000108.9G530 L536 A537 T538 W556 P571Y528-G530 PolarHBondContact O-N 3.22Å; Y528-L536 WeakPolarHBondContact CD1-O 3.5Å; Y528-A537 CarbonylContact O-C 3.19Å; Y528-A537 WeakPolarHBondContact O-CA 3.44Å; Y528-T538 PolarHBondContact N-O 3.45Å; Y528-T538 PolarHBondContact N-OG1 3.11Å; Y528-T538 PolarHBondContact O-N 3.32Å; Y528-W556 HydrophobicContact CE1-CH2 4.16Å; Y528-W556 HydrophobicContact CE1-CZ3 4.01Å; Y528-W556 HydrophobicContact CE2-CH2 4.15Å; Y528-W556 AromaticContact CZ-CH2 3.62Å; Y528-W556 AromaticContact CZ-CZ3 3.96Å; Y528-W556 WeakPolarHBondContact OH-CH2 3.37Å; Y528-P571 HydrophobicContact CD1-CG 3.96Å; Y528-P571 HydrophobicContact CD2-CG 3.76Å; Y528-P571 HydrophobicContact CE1-CG 4.23Å; Y528-P571 HydrophobicContact CE2-CG 4.05Å; Y528-P571 HydrophobicContact CG-CG 3.74Å
529E89.1Confident87.7Confident175 Ų17565.8 Ų65.882%0.81834%0.344SS*.  trans-89.198.4174.7-67.6-170.716400109.1
530G80.7Confident87.9Confident18 Ų1866.6 Ų66.619%0.18635%0.35CS..  trans-88163.4172.900000112.4Y528 G532 Y535Y528-G530 PolarHBondContact O-N 3.22Å; G530-G532 PolarHBondContact O-N 3.5Å; G530-Y535 CarbonylContact C-O 3.52Å; G530-Y535 VanDerWaalsContact CA-O 3.26Å; G530-Y535 WeakPolarHBondContact CA-O 3.23Å
531D82.2Confident87.8Confident91 Ų9169.3 Ų69.349%0.48738%0.379SS..  trans-69.4-7.9177.263.811.7000113.9T533 T534 Y535D531-T533 PolarHBondContact O-N 3.12Å; D531-T533 PolarHBondContact OD1-N 3.24Å; D531-T533 VanDerWaalsContact OD1-N 3.09Å; D531-T533 PolarHBondContact OD1-OG1 3.3Å; D531-T534 PolarHBondContact OD1-N 3.28Å; D531-Y535 PolarHBondContact N-O 2.72Å; D531-Y535 PolarHBondContact OD1-N 3.45Å
532G73.7Confident87.8Confident50 Ų5066.7 Ų66.752%0.51537%0.37SS..SBendtrans81.4-14.9177.500000114.5G530 Y535G530-G532 PolarHBondContact O-N 3.5Å; G532-Y535 PolarHBondContact N-O 3.26Å
533T76.7Confident87.8Confident114 Ų11470.2 Ų70.270%0.69939%0.389SS*.SBendtrans-105.7-41.8-179.1490000113D531D531-T533 PolarHBondContact O-N 3.12Å; D531-T533 PolarHBondContact OD1-N 3.24Å; D531-T533 VanDerWaalsContact OD1-N 3.09Å; D531-T533 PolarHBondContact OD1-OG1 3.3Å
534T84.9Confident87.8Confident64 Ų6468.8 Ų68.839%0.39338%0.378SS..SBendtrans-114.5-40.9-178.4-55.20000109.9D531 G568 F569D531-T534 PolarHBondContact OD1-N 3.28Å; T534-G568 CarbonylContact O-C 3.57Å; T534-G568 WeakPolarHBondContact O-CA 3.47Å; T534-F569 HydrophobicContact CG2-CD2 4.23Å; T534-F569 WeakPolarHBondContact O-CD2 3.47Å; T534-F569 PolarHBondContact O-N 3.37Å
535Y90.3Very high87.9Confident77 Ų7772.1 Ų72.130%0.30239%0.391SS..BIsolated β-bridgetrans-110.5121.3178.2-56.8-74.7000109.4G530 D531 G532 W556 F569G530-Y535 CarbonylContact C-O 3.52Å; G530-Y535 VanDerWaalsContact CA-O 3.26Å; G530-Y535 WeakPolarHBondContact CA-O 3.23Å; D531-Y535 PolarHBondContact N-O 2.72Å; D531-Y535 PolarHBondContact OD1-N 3.45Å; G532-Y535 PolarHBondContact N-O 3.26Å; Y535-W556 AromaticContact CD1-CD2 3.93Å; Y535-W556 HydrophobicContact CD1-CD2 3.93Å; Y535-W556 AromaticContact CD1-CE3 3.46Å; Y535-W556 HydrophobicContact CD1-CE3 3.46Å; Y535-W556 VanDerWaalsContact CD1-CE3 3.46Å; Y535-W556 AromaticContact CD1-CH2 3.57Å; Y535-W556 HydrophobicContact CD1-CH2 3.57Å; Y535-W556 HydrophobicContact CD1-CZ2 4.01Å; Y535-W556 AromaticContact CD1-CZ3 3.25Å; Y535-W556 HydrophobicContact CD1-CZ3 3.25Å; Y535-W556 AromaticContact CE1-CD2 3.55Å; Y535-W556 HydrophobicContact CE1-CD2 3.55Å; Y535-W556 AromaticContact CE1-CE2 3.56Å; Y535-W556 AromaticContact CE1-CE3 3.62Å; Y535-W556 HydrophobicContact CE1-CE3 3.62Å; Y535-W556 HydrophobicContact CE1-CG 4.24Å; Y535-W556 AromaticContact CE1-CH2 3.78Å; Y535-W556 HydrophobicContact CE1-CH2 3.78Å; Y535-W556 AromaticContact CE1-CZ2 3.7Å; Y535-W556 HydrophobicContact CE1-CZ2 3.7Å; Y535-W556 AromaticContact CE1-CZ3 3.72Å; Y535-W556 HydrophobicContact CE1-CZ3 3.72Å; Y535-W556 HydrophobicContact CG-CH2 4.3Å; Y535-W556 HydrophobicContact CG-CZ3 4.17Å; Y535-F569 WeakPolarHBondContact CA-O 3.43Å; Y535-F569 HydrophobicContact CD1-CB 3.9Å; Y535-F569 HydrophobicContact CE1-CB 4.19Å
536L89Confident88Confident4 Ų468.1 Ų68.12%0.02137%0.37CS..  trans-78.4131.3-178.4-65.6179.4000109.8Y528 T538 Y544 V559 R566 F569 V570Y528-L536 WeakPolarHBondContact CD1-O 3.5Å; L536-T538 PolarHBondContact O-N 2.9Å; L536-Y544 HydrophobicContact CD1-CD1 4.25Å; L536-Y544 HydrophobicContact CD1-CE1 3.92Å; L536-V559 HydrophobicContact CD1-CG2 3.98Å; L536-R566 HydrophobicContact CD1-CB 4.5Å; L536-R566 HydrophobicContact CD2-CB 3.8Å; L536-F569 PolarHBondContact N-O 3.32Å; L536-V570 HydrophobicContact CB-CG2 3.93Å; L536-V570 HydrophobicContact CD1-CG2 4.49Å
537A89.5Confident87.9Confident45 Ų4563.4 Ų63.437%0.37235%0.354SS..  trans-69127.5167.500000109Y528 Y544Y528-A537 CarbonylContact O-C 3.19Å; Y528-A537 WeakPolarHBondContact O-CA 3.44Å; A537-Y544 PolarHBondContact O-OH 3.41Å
538T88.4Confident87.8Confident1 Ų164 Ų641%0.00635%0.354CS..BIsolated β-bridgetrans-118.2138.3-176.265.30000111Y526 E527 Y528 L536 Y544 V570Y526-T538 PolarHBondContact O-OG1 3.03Å; E527-T538 VanDerWaalsContact CA-O 3.25Å; E527-T538 WeakPolarHBondContact CA-O 2.96Å; Y528-T538 PolarHBondContact N-O 3.45Å; Y528-T538 PolarHBondContact N-OG1 3.11Å; Y528-T538 PolarHBondContact O-N 3.32Å; L536-T538 PolarHBondContact O-N 2.9Å; T538-Y544 HydrophobicContact CG2-CE2 3.92Å; T538-Y544 WeakPolarHBondContact CG2-OH 3.32Å; T538-V570 HydrophobicContact CG2-CB 4.14Å; T538-V570 HydrophobicContact CG2-CG1 3.45Å; T538-V570 VanDerWaalsContact CG2-CG1 3.45Å; T538-V570 HydrophobicContact CG2-CG2 3.49Å; T538-V570 VanDerWaalsContact CG2-CG2 3.49Å
539K88Confident87.7Confident137 Ų13763.9 Ų63.960%0.59636%0.36SS*.  trans-105.4147.3167.7-68.7-177.1178.5-179.20111A524 G541 E542A524-K539 VanDerWaalsContact CB-O 3.29Å; A524-K539 WeakPolarHBondContact CB-O 3.22Å; K539-G541 PolarHBondContact O-N 3.01Å; K539-E542 PolarHBondContact N-OE2 3.47Å; K539-E542 VanDerWaalsContact O-CB 3.28Å; K539-E542 WeakPolarHBondContact O-CB 3.33Å; K539-E542 PolarHBondContact O-N 3.2Å
540P91Very high87.6Confident81 Ų8156.5 Ų56.553%0.52633%0.326SS..THydrogen-bonded Turntrans-53.4126176.1-23.632.7000111.1A524 E527A524-P540 WeakPolarHBondContact O-CA 3.49Å; E527-P540 HydrophobicContact CB-CG 4.36Å
541G88.1Confident87.6Confident58 Ų5860.1 Ų60.160%0.59835%0.348SS*.THydrogen-bonded Turntrans93.7-7.7-177.500000115.9A524 K539A524-G541 PolarHBondContact O-N 2.84Å; K539-G541 PolarHBondContact O-N 3.01Å
542E92.3Very high87.6Confident51 Ų5160.8 Ų60.824%0.23836%0.355CS..  trans-70.2136.5177.3-158.9170.7-16800111S523 A524 K539 Y544 R566S523-E542 WeakPolarHBondContact CA-O 3.46Å; A524-E542 HydrophobicContact CB-CB 4.49Å; A524-E542 PolarHBondContact N-O 3.44Å; K539-E542 PolarHBondContact N-OE2 3.47Å; K539-E542 VanDerWaalsContact O-CB 3.28Å; K539-E542 WeakPolarHBondContact O-CB 3.33Å; K539-E542 PolarHBondContact O-N 3.2Å; E542-Y544 HydrophobicContact CB-CE2 3.95Å; E542-Y544 HydrophobicContact CG-CE2 4.04Å; E542-Y544 PolarHBondContact OE2-OH 3.44Å; E542-R566 IonicContact OE1-CZ 2.69Å; E542-R566 IonicContact OE1-NH1 3.22Å; E542-R566 IonicContact OE1-NH2 2.81Å; E542-R566 PolarHBondContact OE1-NH2 3.28Å
543L91.5Very high87.9Confident75 Ų7565.6 Ų65.639%0.39337%0.37SS..EExtended strand (participates in β ladder)trans-101.5142.4-175-76.9164.6000111.7A522 E562A522-L543 WeakPolarHBondContact O-CA 3.28Å; L543-E562 PolarHBondContact O-N 3.32Å
544Y93.3Very high88.4Confident3 Ų363 Ų631%0.01236%0.356CS..EExtended strand (participates in β ladder)trans-138.2146.6179.5-57.9-90.4000111.5Y521 A522 A524 L536 A537 T538 E542 V559 V560Y521-Y544 CarbonylContact C-O 3.48Å; Y521-Y544 WeakPolarHBondContact CA-O 3.32Å; A522-Y544 PolarHBondContact N-O 3.21Å; A522-Y544 PolarHBondContact O-N 3.32Å; A524-Y544 HydrophobicContact CB-CE2 4.26Å; L536-Y544 HydrophobicContact CD1-CD1 4.25Å; L536-Y544 HydrophobicContact CD1-CE1 3.92Å; A537-Y544 PolarHBondContact O-OH 3.41Å; T538-Y544 HydrophobicContact CG2-CE2 3.92Å; T538-Y544 WeakPolarHBondContact CG2-OH 3.32Å; E542-Y544 HydrophobicContact CB-CE2 3.95Å; E542-Y544 HydrophobicContact CG-CE2 4.04Å; E542-Y544 PolarHBondContact OE2-OH 3.44Å; Y544-V559 HydrophobicContact CD1-CB 4.35Å; Y544-V559 HydrophobicContact CD1-CG2 3.64Å; Y544-V559 HydrophobicContact CE1-CG2 4.37Å; Y544-V559 HydrophobicContact CG-CB 4.27Å; Y544-V559 HydrophobicContact CG-CG2 3.86Å; Y544-V560 CarbonylContact C-O 3.35Å; Y544-V560 VanDerWaalsContact CA-O 3.29Å; Y544-V560 WeakPolarHBondContact CA-O 3.34Å
545Y93.5Very high88.6Confident74 Ų7461.7 Ų61.729%0.2936%0.355SS..EExtended strand (participates in β ladder)trans-87.6134.1165.6-63.7-72.1000110.1Y518 V559 V560 E562Y518-Y545 HydrophobicContact CD1-CG 4.43Å; Y518-Y545 HydrophobicContact CD2-CD1 4.38Å; Y518-Y545 HydrophobicContact CD2-CG 4.42Å; Y518-Y545 HydrophobicContact CG-CD1 4.48Å; Y518-Y545 HydrophobicContact CG-CG 4.38Å; Y545-V559 CarbonylContact O-C 3.51Å; Y545-V559 VanDerWaalsContact O-CA 3.23Å; Y545-V559 WeakPolarHBondContact O-CA 3.37Å; Y545-V560 HydrophobicContact CD2-CG1 4.43Å; Y545-V560 PolarHBondContact N-O 3.26Å; Y545-V560 PolarHBondContact O-N 2.95Å; Y545-E562 HydrophobicContact CE2-CG 4.39Å
546V92.7Very high88.7Confident0 Ų061.3 Ų61.30%035%0.353CS..EExtended strand (participates in β ladder)trans-89118.7-175.8-1750000108.6Y518 V519 G520 A522 V549 T557 V559 L577Y518-V546 WeakPolarHBondContact CA-O 3.5Å; V519-V546 HydrophobicContact CG2-CB 4.23Å; V519-V546 HydrophobicContact CG2-CG1 3.85Å; V519-V546 WeakPolarHBondContact CG2-O 3.46Å; V519-V546 PolarHBondContact N-O 3.49Å; G520-V546 PolarHBondContact O-N 3.31Å; A522-V546 HydrophobicContact CB-CG2 3.7Å; V546-V549 HydrophobicContact CG1-CG2 4.31Å; V546-T557 HydrophobicContact CG1-CG2 3.7Å; V546-V559 HydrophobicContact CG2-CG1 4.37Å; V546-L577 HydrophobicContact CB-CD2 4.24Å; V546-L577 HydrophobicContact CG1-CD2 3.86Å; V546-L577 HydrophobicContact CG2-CD2 3.52Å; V546-L577 HydrophobicContact CG2-CG 4.49Å
547L89.8Confident88.8Confident39 Ų3961.1 Ų61.120%0.20435%0.352CS..EExtended strand (participates in β ladder)trans-83.5-39.8176.9-68.9163.3000111T516 Y518 V519 A558 V560 Q567T516-L547 HydrophobicContact CG2-CD2 3.63Å; Y518-L547 HydrophobicContact CD1-CD2 4.06Å; Y518-L547 HydrophobicContact CE1-CD2 4.02Å; V519-L547 WeakPolarHBondContact CG2-O 3.12Å; L547-A558 HydrophobicContact CB-CB 4.29Å; L547-A558 PolarHBondContact N-O 2.7Å; L547-V560 HydrophobicContact CD1-CB 4.2Å; L547-V560 HydrophobicContact CG-CG1 4.45Å; L547-Q567 VanDerWaalsContact CD1-CD 3.49Å; L547-Q567 HydrophobicContact CD1-CG 3.64Å
548K89Confident89Confident130 Ų13059.8 Ų59.857%0.56534%0.341SS*.EExtended strand (participates in β ladder)trans-152.7126.1177.8-168.1177.3177.2-179.20109.5A558K548-A558 HydrophobicContact CB-CB 4.18Å; K548-A558 PolarHBondContact N-O 3.07Å; K548-A558 PolarHBondContact O-N 3.37Å
549V87.7Confident89.2Confident55 Ų5559.7 Ų59.733%0.33334%0.341SS..  trans-66147.3170.9-169.20000108.5V519 V546 S551 L579V519-V549 HydrophobicContact CB-CG2 4.45Å; V519-V549 HydrophobicContact CG2-CG2 4.18Å; V546-V549 HydrophobicContact CG1-CG2 4.31Å; V549-S551 PolarHBondContact O-N 3.21Å; V549-L579 HydrophobicContact CG2-CD1 4.38Å; V549-L579 HydrophobicContact CG2-CD2 3.41Å; V549-L579 VanDerWaalsContact CG2-CD2 3.41Å
550D87.9Confident89.5Confident20 Ų2053.6 Ų53.611%0.10732%0.315CS..  trans-65.777.5174.3-176.523.6000111.7T552 N553 S554 G555 W556 T572D550-T552 PolarHBondContact O-N 3.09Å; D550-T552 PolarHBondContact OD1-N 2.85Å; D550-T552 PolarHBondContact OD1-OG1 3.06Å; D550-N553 PolarHBondContact OD1-N 3.29Å; D550-N553 VanDerWaalsContact OD1-N 3.13Å; D550-N553 VanDerWaalsContact OD2-C 3.27Å; D550-N553 VanDerWaalsContact OD2-CA 3.3Å; D550-N553 WeakPolarHBondContact OD2-CA 3.26Å; D550-S554 VanDerWaalsContact CG-N 3.26Å; D550-S554 WeakPolarHBondContact OD1-CB 3.41Å; D550-S554 PolarHBondContact OD1-N 3.1Å; D550-S554 PolarHBondContact OD1-OG 3.33Å; D550-S554 PolarHBondContact OD2-N 3.06Å; D550-G555 WeakPolarHBondContact OD2-CA 3.24Å; D550-G555 PolarHBondContact OD2-N 2.85Å; D550-W556 WeakPolarHBondContact CB-O 3.47Å; D550-T572 HydrophobicContact CB-CG2 4.39Å
551S81.2Confident89.3Confident93 Ų9349.9 Ų49.965%0.6529%0.29SS*.THydrogen-bonded Turntrans-72.6-13175.161.90000112.4V549V549-S551 PolarHBondContact O-N 3.21Å
552T80.4Confident89.2Confident105 Ų10553.1 Ų53.164%0.64429%0.29SS*.THydrogen-bonded Turntrans-94.7-1.9-177.242.10000113.5D550 S554D550-T552 PolarHBondContact O-N 3.09Å; D550-T552 PolarHBondContact OD1-N 2.85Å; D550-T552 PolarHBondContact OD1-OG1 3.06Å; T552-S554 PolarHBondContact O-N 3.49Å
553N79.8Confident88.7Confident152 Ų15255.5 Ų55.581%0.81330%0.304SS*.  trans48.435.8-168.4-79.26.2000112.4D550 G555D550-N553 PolarHBondContact OD1-N 3.29Å; D550-N553 VanDerWaalsContact OD1-N 3.13Å; D550-N553 VanDerWaalsContact OD2-C 3.27Å; D550-N553 VanDerWaalsContact OD2-CA 3.3Å; D550-N553 WeakPolarHBondContact OD2-CA 3.26Å; N553-G555 PolarHBondContact O-N 3.17Å
554S87.4Confident88.3Confident60 Ų6053.5 Ų53.542%0.4230%0.302SS..  trans-72.6-16.1177.8670000112.9D550 T552 W556D550-S554 VanDerWaalsContact CG-N 3.26Å; D550-S554 WeakPolarHBondContact OD1-CB 3.41Å; D550-S554 PolarHBondContact OD1-N 3.1Å; D550-S554 PolarHBondContact OD1-OG 3.33Å; D550-S554 PolarHBondContact OD2-N 3.06Å; T552-S554 PolarHBondContact O-N 3.49Å; S554-W556 VanDerWaalsContact C-N 3.3Å; S554-W556 VanDerWaalsContact O-CD1 3.25Å; S554-W556 PolarHBondContact OG-N 3.21Å; S554-W556 PolarHBondContact OG-O 3.16Å
555G90Very high87.9Confident35 Ų3558.1 Ų58.136%0.36133%0.331SS..SBendtrans825.8-172.300000113.7D550 N553 P571 T572D550-G555 WeakPolarHBondContact OD2-CA 3.24Å; D550-G555 PolarHBondContact OD2-N 2.85Å; N553-G555 PolarHBondContact O-N 3.17Å; G555-P571 CarbonylContact O-C 3.45Å; G555-P571 WeakPolarHBondContact O-CA 3.28Å; G555-T572 VanDerWaalsContact C-OG1 3.25Å; G555-T572 PolarHBondContact O-N 3.26Å; G555-T572 PolarHBondContact O-OG1 3.23Å
556W92.4Very high87.5Confident69 Ų6959.7 Ų59.726%0.26134%0.336SS..EExtended strand (participates in β ladder)trans-127.4125.8-175.4-63.6101.2000111.7Y528 Y535 D550 S554 F569 P571 T572Y528-W556 HydrophobicContact CE1-CH2 4.16Å; Y528-W556 HydrophobicContact CE1-CZ3 4.01Å; Y528-W556 HydrophobicContact CE2-CH2 4.15Å; Y528-W556 AromaticContact CZ-CH2 3.62Å; Y528-W556 AromaticContact CZ-CZ3 3.96Å; Y528-W556 WeakPolarHBondContact OH-CH2 3.37Å; Y535-W556 AromaticContact CD1-CD2 3.93Å; Y535-W556 HydrophobicContact CD1-CD2 3.93Å; Y535-W556 AromaticContact CD1-CE3 3.46Å; Y535-W556 HydrophobicContact CD1-CE3 3.46Å; Y535-W556 VanDerWaalsContact CD1-CE3 3.46Å; Y535-W556 AromaticContact CD1-CH2 3.57Å; Y535-W556 HydrophobicContact CD1-CH2 3.57Å; Y535-W556 HydrophobicContact CD1-CZ2 4.01Å; Y535-W556 AromaticContact CD1-CZ3 3.25Å; Y535-W556 HydrophobicContact CD1-CZ3 3.25Å; Y535-W556 AromaticContact CE1-CD2 3.55Å; Y535-W556 HydrophobicContact CE1-CD2 3.55Å; Y535-W556 AromaticContact CE1-CE2 3.56Å; Y535-W556 AromaticContact CE1-CE3 3.62Å; Y535-W556 HydrophobicContact CE1-CE3 3.62Å; Y535-W556 HydrophobicContact CE1-CG 4.24Å; Y535-W556 AromaticContact CE1-CH2 3.78Å; Y535-W556 HydrophobicContact CE1-CH2 3.78Å; Y535-W556 AromaticContact CE1-CZ2 3.7Å; Y535-W556 HydrophobicContact CE1-CZ2 3.7Å; Y535-W556 AromaticContact CE1-CZ3 3.72Å; Y535-W556 HydrophobicContact CE1-CZ3 3.72Å; Y535-W556 HydrophobicContact CG-CH2 4.3Å; Y535-W556 HydrophobicContact CG-CZ3 4.17Å; D550-W556 WeakPolarHBondContact CB-O 3.47Å; S554-W556 VanDerWaalsContact C-N 3.3Å; S554-W556 VanDerWaalsContact O-CD1 3.25Å; S554-W556 PolarHBondContact OG-N 3.21Å; S554-W556 PolarHBondContact OG-O 3.16Å; W556-F569 HydrophobicContact CB-CB 4.15Å; W556-F569 HydrophobicContact CB-CD1 3.99Å; W556-F569 HydrophobicContact CB-CG 4.4Å; W556-F569 HydrophobicContact CD2-CB 4.49Å; W556-F569 HydrophobicContact CE3-CB 4.01Å; W556-P571 HydrophobicContact CE3-CB 4.44Å; W556-P571 HydrophobicContact CE3-CG 4.2Å; W556-P571 HydrophobicContact CH2-CG 3.91Å; W556-P571 HydrophobicContact CZ3-CB 4.16Å; W556-P571 HydrophobicContact CZ3-CG 3.5Å; W556-P571 VanDerWaalsContact CZ3-CG 3.5Å; W556-T572 VanDerWaalsContact C-OG1 3.28Å; W556-T572 PolarHBondContact N-OG1 3.41Å
557T92.1Very high87.4Confident0 Ų066.1 Ų66.10%037%0.366CS..EExtended strand (participates in β ladder)trans-102.3129.5175.8-58.40000109.5V546 V559 F569 V570 T572 I575 L577V546-T557 HydrophobicContact CG1-CG2 3.7Å; T557-V559 HydrophobicContact CG2-CG1 3.8Å; T557-V559 PolarHBondContact O-N 3.26Å; T557-F569 WeakPolarHBondContact O-CA 3.11Å; T557-V570 PolarHBondContact N-O 3.36Å; T557-V570 PolarHBondContact O-N 3.35Å; T557-T572 PolarHBondContact N-OG1 3.46Å; T557-T572 WeakPolarHBondContact OG1-CB 3.41Å; T557-T572 WeakPolarHBondContact OG1-CG2 3.48Å; T557-T572 PolarHBondContact OG1-OG1 3.05Å; T557-I575 HydrophobicContact CG2-CD1 3.85Å; T557-L577 HydrophobicContact CG2-CD1 4.29Å; T557-L577 HydrophobicContact CG2-CD2 4.31Å
558A93Very high87.5Confident17 Ų1764.7 Ų64.714%0.1436%0.361CS..EExtended strand (participates in β ladder)trans-77.9119.8176.200000109.6L547 K548 F569L547-A558 HydrophobicContact CB-CB 4.29Å; L547-A558 PolarHBondContact N-O 2.7Å; K548-A558 HydrophobicContact CB-CB 4.18Å; K548-A558 PolarHBondContact N-O 3.07Å; K548-A558 PolarHBondContact O-N 3.37Å; A558-F569 HydrophobicContact CB-CD1 4.11Å; A558-F569 HydrophobicContact CB-CE1 3.77Å; A558-F569 HydrophobicContact CB-CZ 4.45Å
559V93.3Very high87.7Confident0 Ų062.6 Ų62.60%035%0.352CS..EExtended strand (participates in β ladder)trans-136.4160.1-175.1-54.60000111.8L536 Y544 Y545 V546 T557 G568 V570L536-V559 HydrophobicContact CD1-CG2 3.98Å; Y544-V559 HydrophobicContact CD1-CB 4.35Å; Y544-V559 HydrophobicContact CD1-CG2 3.64Å; Y544-V559 HydrophobicContact CE1-CG2 4.37Å; Y544-V559 HydrophobicContact CG-CB 4.27Å; Y544-V559 HydrophobicContact CG-CG2 3.86Å; Y545-V559 CarbonylContact O-C 3.51Å; Y545-V559 VanDerWaalsContact O-CA 3.23Å; Y545-V559 WeakPolarHBondContact O-CA 3.37Å; V546-V559 HydrophobicContact CG2-CG1 4.37Å; T557-V559 HydrophobicContact CG2-CG1 3.8Å; T557-V559 PolarHBondContact O-N 3.26Å; V559-G568 PolarHBondContact N-O 2.97Å; V559-G568 PolarHBondContact O-N 2.9Å; V559-G568 VanDerWaalsContact O-O 3.1Å; V559-V570 HydrophobicContact CG2-CB 4.18Å; V559-V570 HydrophobicContact CG2-CG2 3.47Å; V559-V570 VanDerWaalsContact CG2-CG2 3.47Å
560V92.5Very high87.9Confident8 Ų860 Ų605%0.04834%0.336CS..EExtended strand (participates in β ladder)trans-124.5140168.966.70000108.9Y518 Y544 Y545 L547 R566 Q567Y518-V560 HydrophobicContact CD1-CG1 4.46Å; Y518-V560 HydrophobicContact CE1-CG1 3.8Å; Y544-V560 CarbonylContact C-O 3.35Å; Y544-V560 VanDerWaalsContact CA-O 3.29Å; Y544-V560 WeakPolarHBondContact CA-O 3.34Å; Y545-V560 HydrophobicContact CD2-CG1 4.43Å; Y545-V560 PolarHBondContact N-O 3.26Å; Y545-V560 PolarHBondContact O-N 2.95Å; L547-V560 HydrophobicContact CD1-CB 4.2Å; L547-V560 HydrophobicContact CG-CG1 4.45Å; V560-R566 CarbonylContact C-O 3.57Å; V560-R566 WeakPolarHBondContact CA-O 3.44Å; V560-Q567 HydrophobicContact CB-CB 4.45Å; V560-Q567 HydrophobicContact CG2-CB 4.2Å
561S88Confident88.1Confident3 Ų359.7 Ų59.72%0.02134%0.335CS..EExtended strand (participates in β ladder)trans-59.3156.5175.856.10000111.6D563 G564 T565 R566S561-D563 WeakPolarHBondContact CB-OD1 3.32Å; S561-D563 PolarHBondContact O-N 3.05Å; S561-D563 VanDerWaalsContact O-N 3.17Å; S561-D563 PolarHBondContact OG-OD1 3.23Å; S561-G564 PolarHBondContact O-N 2.93Å; S561-T565 PolarHBondContact OG-N 2.95Å; S561-R566 PolarHBondContact N-O 3.03Å; S561-R566 PolarHBondContact OG-N 3.23Å; S561-R566 PolarHBondContact OG-O 2.9Å
562E85.9Confident88.6Confident126 Ų12657 Ų5759%0.58932%0.315SS*.THydrogen-bonded Turntrans-56-31.9-179.1-172.2177.1-15200113.3L543 Y545 G564L543-E562 PolarHBondContact O-N 3.32Å; Y545-E562 HydrophobicContact CE2-CG 4.39Å; E562-G564 VanDerWaalsContact C-N 3.33Å
563D82.4Confident89Confident101 Ų10154.9 Ų54.954%0.5431%0.314SS..THydrogen-bonded Turntrans-83.4-2.6176.465.6-19.8000114.1S561 T565S561-D563 WeakPolarHBondContact CB-OD1 3.32Å; S561-D563 PolarHBondContact O-N 3.05Å; S561-D563 VanDerWaalsContact O-N 3.17Å; S561-D563 PolarHBondContact OG-OD1 3.23Å; D563-T565 HydrophobicContact CB-CG2 4.21Å; D563-T565 PolarHBondContact O-N 3.28Å; D563-T565 PolarHBondContact OD1-N 3.43Å; D563-T565 PolarHBondContact OD1-OG1 2.99Å; D563-T565 VanDerWaalsContact OD1-OG1 3.07Å; D563-T565 WeakPolarHBondContact OD2-CB 3.42Å; D563-T565 WeakPolarHBondContact OD2-CG2 3.42Å; D563-T565 PolarHBondContact OD2-OG1 3.44Å
564G82.8Confident89.7Confident34 Ų3452.1 Ų52.135%0.35129%0.293SS..SBendtrans73.7-2.3-179.700000115S561 E562S561-G564 PolarHBondContact O-N 2.93Å; E562-G564 VanDerWaalsContact C-N 3.33Å
565T83.8Confident89.9Confident99 Ų9949.8 Ų49.861%0.60728%0.276SS*.SBendtrans-81-27-169.664.60000113.6S561 D563S561-T565 PolarHBondContact OG-N 2.95Å; D563-T565 HydrophobicContact CB-CG2 4.21Å; D563-T565 PolarHBondContact O-N 3.28Å; D563-T565 PolarHBondContact OD1-N 3.43Å; D563-T565 PolarHBondContact OD1-OG1 2.99Å; D563-T565 VanDerWaalsContact OD1-OG1 3.07Å; D563-T565 WeakPolarHBondContact OD2-CB 3.42Å; D563-T565 WeakPolarHBondContact OD2-CG2 3.42Å; D563-T565 PolarHBondContact OD2-OG1 3.44Å
566R86.2Confident90.1Very high108 Ų10852.3 Ų52.341%0.40828%0.281SS..  trans-124.6112.2-174.9-66.1179.2-69.6165.27.2109.4L536 E542 V560 S561L536-R566 HydrophobicContact CD1-CB 4.5Å; L536-R566 HydrophobicContact CD2-CB 3.8Å; E542-R566 IonicContact OE1-CZ 2.69Å; E542-R566 IonicContact OE1-NH1 3.22Å; E542-R566 IonicContact OE1-NH2 2.81Å; E542-R566 PolarHBondContact OE1-NH2 3.28Å; V560-R566 CarbonylContact C-O 3.57Å; V560-R566 WeakPolarHBondContact CA-O 3.44Å; S561-R566 PolarHBondContact N-O 3.03Å; S561-R566 PolarHBondContact OG-N 3.23Å; S561-R566 PolarHBondContact OG-O 2.9Å
567Q91.2Very high90Very high134 Ų13451.3 Ų51.363%0.62628%0.28SS*.EExtended strand (participates in β ladder)trans-111.3136.7172.8179.5178.4-24.400109.3L547 V560L547-Q567 VanDerWaalsContact CD1-CD 3.49Å; L547-Q567 HydrophobicContact CD1-CG 3.64Å; V560-Q567 HydrophobicContact CB-CB 4.45Å; V560-Q567 HydrophobicContact CG2-CB 4.2Å
568G90.7Very high89.9Confident9 Ų953.8 Ų53.89%0.09330%0.296CS..EExtended strand (participates in β ladder)trans178.8-157.2177.100000111.8T534 V559T534-G568 CarbonylContact O-C 3.57Å; T534-G568 WeakPolarHBondContact O-CA 3.47Å; V559-G568 PolarHBondContact N-O 2.97Å; V559-G568 PolarHBondContact O-N 2.9Å; V559-G568 VanDerWaalsContact O-O 3.1Å
569F92.8Very high89.6Confident87 Ų8757.8 Ų57.838%0.38231%0.314SS..EExtended strand (participates in β ladder)trans-110.3138.6-179.6-65.7-86.5000110.8T534 Y535 L536 W556 T557 A558T534-F569 HydrophobicContact CG2-CD2 4.23Å; T534-F569 WeakPolarHBondContact O-CD2 3.47Å; T534-F569 PolarHBondContact O-N 3.37Å; Y535-F569 WeakPolarHBondContact CA-O 3.43Å; Y535-F569 HydrophobicContact CD1-CB 3.9Å; Y535-F569 HydrophobicContact CE1-CB 4.19Å; L536-F569 PolarHBondContact N-O 3.32Å; W556-F569 HydrophobicContact CB-CB 4.15Å; W556-F569 HydrophobicContact CB-CD1 3.99Å; W556-F569 HydrophobicContact CB-CG 4.4Å; W556-F569 HydrophobicContact CD2-CB 4.49Å; W556-F569 HydrophobicContact CE3-CB 4.01Å; T557-F569 WeakPolarHBondContact O-CA 3.11Å; A558-F569 HydrophobicContact CB-CD1 4.11Å; A558-F569 HydrophobicContact CB-CE1 3.77Å; A558-F569 HydrophobicContact CB-CZ 4.45Å
570V92.9Very high89.1Confident0 Ų067 Ų670%035%0.35CS..EExtended strand (participates in β ladder)trans-121.1142.7172.7177.40000108L536 T538 T557 V559 T572 I575L536-V570 HydrophobicContact CB-CG2 3.93Å; L536-V570 HydrophobicContact CD1-CG2 4.49Å; T538-V570 HydrophobicContact CG2-CB 4.14Å; T538-V570 HydrophobicContact CG2-CG1 3.45Å; T538-V570 VanDerWaalsContact CG2-CG1 3.45Å; T538-V570 HydrophobicContact CG2-CG2 3.49Å; T538-V570 VanDerWaalsContact CG2-CG2 3.49Å; T557-V570 PolarHBondContact N-O 3.36Å; T557-V570 PolarHBondContact O-N 3.35Å; V559-V570 HydrophobicContact CG2-CB 4.18Å; V559-V570 HydrophobicContact CG2-CG2 3.47Å; V559-V570 VanDerWaalsContact CG2-CG2 3.47Å; V570-T572 PolarHBondContact O-N 3.2Å; V570-I575 HydrophobicContact CB-CG2 4.34Å; V570-I575 HydrophobicContact CG1-CG2 3.44Å; V570-I575 VanDerWaalsContact CG1-CG2 3.44Å
571P92.1Very high88.9Confident14 Ų1470 Ų709%0.09137%0.365CS..EExtended strand (participates in β ladder)trans-58.7125.9179.8-16.927.1000110.2Y528 G555 W556 G573 Y574Y528-P571 HydrophobicContact CD1-CG 3.96Å; Y528-P571 HydrophobicContact CD2-CG 3.76Å; Y528-P571 HydrophobicContact CE1-CG 4.23Å; Y528-P571 HydrophobicContact CE2-CG 4.05Å; Y528-P571 HydrophobicContact CG-CG 3.74Å; G555-P571 CarbonylContact O-C 3.45Å; G555-P571 WeakPolarHBondContact O-CA 3.28Å; W556-P571 HydrophobicContact CE3-CB 4.44Å; W556-P571 HydrophobicContact CE3-CG 4.2Å; W556-P571 HydrophobicContact CH2-CG 3.91Å; W556-P571 HydrophobicContact CZ3-CB 4.16Å; W556-P571 HydrophobicContact CZ3-CG 3.5Å; W556-P571 VanDerWaalsContact CZ3-CG 3.5Å; P571-G573 PolarHBondContact O-N 3.13Å; P571-G573 VanDerWaalsContact O-N 3.15Å; P571-Y574 HydrophobicContact CB-CD2 3.88Å; P571-Y574 HydrophobicContact CB-CG 4Å; P571-Y574 HydrophobicContact CG-CD2 4.35Å; P571-Y574 HydrophobicContact CG-CG 4.13Å; P571-Y574 WeakPolarHBondContact O-CA 3.41Å; P571-Y574 WeakPolarHBondContact O-CB 3.49Å; P571-Y574 PolarHBondContact O-N 3.22Å
572T91.3Very high89Confident37 Ų3773.5 Ų73.523%0.22738%0.383CS..G310 helixtrans-58.4-33-176.2-53.70000112.1D550 G555 W556 T557 V570 Y574 I575 L577D550-T572 HydrophobicContact CB-CG2 4.39Å; G555-T572 VanDerWaalsContact C-OG1 3.25Å; G555-T572 PolarHBondContact O-N 3.26Å; G555-T572 PolarHBondContact O-OG1 3.23Å; W556-T572 VanDerWaalsContact C-OG1 3.28Å; W556-T572 PolarHBondContact N-OG1 3.41Å; T557-T572 PolarHBondContact N-OG1 3.46Å; T557-T572 WeakPolarHBondContact OG1-CB 3.41Å; T557-T572 WeakPolarHBondContact OG1-CG2 3.48Å; T557-T572 PolarHBondContact OG1-OG1 3.05Å; V570-T572 PolarHBondContact O-N 3.2Å; T572-Y574 VanDerWaalsContact C-N 3.26Å; T572-Y574 PolarHBondContact O-N 3.28Å; T572-I575 WeakPolarHBondContact O-CG1 3.45Å; T572-L577 HydrophobicContact CG2-CD1 4.14Å
573G89.2Confident89.1Confident60 Ų6070.6 Ų70.662%0.61937%0.372SS*.G310 helixtrans-75.4-9.2175.400000115.1P571P571-G573 PolarHBondContact O-N 3.13Å; P571-G573 VanDerWaalsContact O-N 3.15Å
574Y93.3Very high89.5Confident94 Ų9468.8 Ų68.837%0.36936%0.362SS..G310 helixtrans-99.30.2-179.6-80.8-131.6000112.5A524 L525 Y526 E527 P571 T572A524-Y574 CarbonylContact C-O 3.59Å; L525-Y574 PolarHBondContact N-O 2.91Å; Y526-Y574 VanDerWaalsContact CB-CD1 3.49Å; Y526-Y574 HydrophobicContact CD2-CD1 4.49Å; Y526-Y574 HydrophobicContact CD2-CD2 4.47Å; Y526-Y574 HydrophobicContact CD2-CG 4.3Å; Y526-Y574 HydrophobicContact CG-CD1 4.46Å; E527-Y574 WeakPolarHBondContact O-CE1 3.36Å; P571-Y574 HydrophobicContact CB-CD2 3.88Å; P571-Y574 HydrophobicContact CB-CG 4Å; P571-Y574 HydrophobicContact CG-CD2 4.35Å; P571-Y574 HydrophobicContact CG-CG 4.13Å; P571-Y574 WeakPolarHBondContact O-CA 3.41Å; P571-Y574 WeakPolarHBondContact O-CB 3.49Å; P571-Y574 PolarHBondContact O-N 3.22Å; T572-Y574 VanDerWaalsContact C-N 3.26Å; T572-Y574 PolarHBondContact O-N 3.28Å
575I93Very high89.9Confident11 Ų1171 Ų716%0.05636%0.363CS..EExtended strand (participates in β ladder)trans-126.6149.1-179.353.4171.6000111.3A522 S523 A524 T557 V570 T572 L577A522-I575 HydrophobicContact CB-CB 4.16Å; A522-I575 HydrophobicContact CB-CD1 3.92Å; S523-I575 CarbonylContact O-C 3.49Å; S523-I575 VanDerWaalsContact O-CA 3.26Å; S523-I575 WeakPolarHBondContact O-CA 3.38Å; A524-I575 HydrophobicContact CB-CG2 4.5Å; T557-I575 HydrophobicContact CG2-CD1 3.85Å; V570-I575 HydrophobicContact CB-CG2 4.34Å; V570-I575 HydrophobicContact CG1-CG2 3.44Å; V570-I575 VanDerWaalsContact CG1-CG2 3.44Å; T572-I575 WeakPolarHBondContact O-CG1 3.45Å; I575-L577 HydrophobicContact CD1-CD1 3.71Å; I575-L577 HydrophobicContact CD1-CG 4.02Å; I575-L577 HydrophobicContact CG1-CD1 4.1Å; I575-L577 HydrophobicContact CG1-CG 4.49Å
576N93.3Very high90.4Very high87 Ų8769.1 Ų69.147%0.46535%0.347SS..EExtended strand (participates in β ladder)trans-97.9111.6167-172.35.6000109.1A522 S523 L525A522-N576 CarbonylContact C-O 3.59Å; A522-N576 VanDerWaalsContact CA-O 3.25Å; A522-N576 WeakPolarHBondContact CA-O 3.38Å; S523-N576 PolarHBondContact N-O 3.03Å; S523-N576 PolarHBondContact O-N 2.92Å; L525-N576 HydrophobicContact CD1-CB 4.15Å; L525-N576 HydrophobicContact CD2-CB 4.06Å; L525-N576 HydrophobicContact CG-CB 4.11Å
577L89.8Confident90.7Very high48 Ų4866.4 Ų66.425%0.25134%0.342SS..EExtended strand (participates in β ladder)trans-91.6130.9-174.8-96.1139.4000111.6A522 V546 T557 T572 I575 L579A522-L577 HydrophobicContact CB-CG 4.3Å; V546-L577 HydrophobicContact CB-CD2 4.24Å; V546-L577 HydrophobicContact CG1-CD2 3.86Å; V546-L577 HydrophobicContact CG2-CD2 3.52Å; V546-L577 HydrophobicContact CG2-CG 4.49Å; T557-L577 HydrophobicContact CG2-CD1 4.29Å; T557-L577 HydrophobicContact CG2-CD2 4.31Å; T572-L577 HydrophobicContact CG2-CD1 4.14Å; I575-L577 HydrophobicContact CD1-CD1 3.71Å; I575-L577 HydrophobicContact CD1-CG 4.02Å; I575-L577 HydrophobicContact CG1-CD1 4.1Å; I575-L577 HydrophobicContact CG1-CG 4.49Å; L577-L579 HydrophobicContact CD2-CD2 4.23Å
578T89.9Confident90.6Very high53 Ų5361.2 Ų61.233%0.32532%0.32SS..EExtended strand (participates in β ladder)trans-125.8113.4169.4-53.10000109.5G520 Y521G520-T578 CarbonylContact C-O 3.6Å; G520-T578 WeakPolarHBondContact CA-O 3.45Å; Y521-T578 HydrophobicContact CD1-CG2 4.32Å; Y521-T578 VanDerWaalsContact CE1-CB 3.48Å; Y521-T578 HydrophobicContact CE1-CG2 3.48Å; Y521-T578 VanDerWaalsContact CE1-CG2 3.48Å; Y521-T578 HydrophobicContact CE2-CG2 4.39Å; Y521-T578 PolarHBondContact N-O 3.16Å; Y521-T578 PolarHBondContact O-N 3.08Å; Y521-T578 WeakPolarHBondContact OH-CG2 3.32Å
579L86.8Confident90.6Very high100 Ų10065.5 Ų65.552%0.52434%0.339SS..EExtended strand (participates in β ladder)trans-83.6152.1-178.4-57.5175000111.5V519 V549 L577V519-L579 WeakPolarHBondContact O-CA 3.39Å; V519-L579 WeakPolarHBondContact O-CD2 3.26Å; V549-L579 HydrophobicContact CG2-CD1 4.38Å; V549-L579 HydrophobicContact CG2-CD2 3.41Å; V549-L579 VanDerWaalsContact CG2-CD2 3.41Å; L577-L579 HydrophobicContact CD2-CD2 4.23Å
580Y83Confident90.4Very high195 Ų19563.5 Ų63.577%0.76534%0.336SS*.  trans-71.20177.4-73.4-62.7000113.7Y518 V519 G520Y518-Y580 WeakPolarHBondContact O-CD2 3.24Å; V519-Y580 PolarHBondContact O-N 2.89Å; G520-Y580 VanDerWaalsContact CA-CD2 3.48Å; G520-Y580 VanDerWaalsContact N-CD2 3.3Å

Retrieved 580 of 580 residues in 198.9 ms (Link to these results)

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