G4VGS4_SCHMA Loading...

Serine/threonine-protein phosphatase

AlphaFold DB , UniProt , Accession G4VGS4, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene n/a, Length 326 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
1M35.5Very low68.8Low239 Ų239118.2 Ų118.2100%1.17764%0.642SS**  0109.60-70.4164.983.200105.5E3M1-E3 PolarHBondContact O-N 3.28Å; M1-E3 VanDerWaalsContact O-N 3.13Å
2A33.2Very low71.2Confident103 Ų103108.4 Ų108.485%0.85159%0.589SS**  trans-60.4118.9175.200000106.8S4A2-S4 PolarHBondContact O-N 3.05Å
3E38.2Very low73.3Confident190 Ų190101.4 Ų101.489%0.88855%0.55SS**  trans-48.1110.8163.4-82.3176.7135.800105.8M1 D5M1-E3 PolarHBondContact O-N 3.28Å; M1-E3 VanDerWaalsContact O-N 3.13Å; E3-D5 PolarHBondContact O-N 3.26Å
4S44.7Very low75.1Confident104 Ų10499.7 Ų99.773%0.72755%0.55SS**  trans-55.7112.7167.555.50000105A2 K6A2-S4 PolarHBondContact O-N 3.05Å; S4-K6 PolarHBondContact O-N 2.9Å
5D53.3Low76.6Confident160 Ų16097.1 Ų97.186%0.85653%0.529SS*.  trans-36.8114.1164.3-94.1-35.8000106.8E3 L7E3-D5 PolarHBondContact O-N 3.26Å; D5-L7 PolarHBondContact O-N 3.05Å
6K72.4Confident77.9Confident198 Ų19891 Ų9186%0.86150%0.495SS*.  trans-48.8110.9-175.6-110.4177.7175.7176.60106.6S4 N8S4-K6 PolarHBondContact O-N 2.9Å; K6-N8 PolarHBondContact O-N 2.92Å
7L90.8Very high79.1Confident54 Ų5487.7 Ų87.728%0.28348%0.477SS..  trans-53.1107-176.5-17668.4000108.4D5 I9 L12 G37 L38 K41 I112D5-L7 PolarHBondContact O-N 3.05Å; L7-I9 VanDerWaalsContact C-N 3.28Å; L7-I9 HydrophobicContact CD2-CD1 3.53Å; L7-I9 HydrophobicContact CD2-CG1 4.36Å; L7-I9 HydrophobicContact CG-CD1 3.77Å; L7-I9 HydrophobicContact CG-CG1 4.32Å; L7-I9 PolarHBondContact O-N 2.98Å; L7-L12 HydrophobicContact CD1-CD1 3.62Å; L7-L12 HydrophobicContact CG-CD1 3.99Å; L7-G37 VanDerWaalsContact CD2-C 3.5Å; L7-L38 HydrophobicContact CD2-CD2 4.31Å; L7-K41 HydrophobicContact CD2-CB 4.42Å; L7-I112 HydrophobicContact CD2-CD1 4.44Å
8N95.8Very high80Confident98 Ų9890.4 Ų90.452%0.52449%0.486SS..  trans-80.880.7-175.1-172-18.5000109.4K6 D10 S11 L12K6-N8 PolarHBondContact O-N 2.92Å; N8-D10 VanDerWaalsContact C-N 3.25Å; N8-D10 PolarHBondContact O-N 2.89Å; N8-S11 PolarHBondContact O-N 2.82Å; N8-S11 PolarHBondContact OD1-N 2.88Å; N8-S11 VanDerWaalsContact OD1-N 3.11Å; N8-L12 WeakPolarHBondContact O-CG 3.39Å; N8-L12 PolarHBondContact O-N 3.09Å
9I97.5Very high80.8Confident20 Ų2086 Ų8610%0.10346%0.463CS..Hα-helixtrans-57-38.5-176.6-66.3-65.3000111.9L7 S11 L12 I13 L38 I112 K113L7-I9 VanDerWaalsContact C-N 3.28Å; L7-I9 HydrophobicContact CD2-CD1 3.53Å; L7-I9 HydrophobicContact CD2-CG1 4.36Å; L7-I9 HydrophobicContact CG-CD1 3.77Å; L7-I9 HydrophobicContact CG-CG1 4.32Å; L7-I9 PolarHBondContact O-N 2.98Å; I9-S11 PolarHBondContact O-N 3.27Å; I9-L12 HydrophobicContact CD1-CD1 4.31Å; I9-L12 WeakPolarHBondContact O-CB 3.45Å; I9-L12 PolarHBondContact O-N 2.93Å; I9-I13 HydrophobicContact CG2-CD1 3.71Å; I9-I13 HydrophobicContact CG2-CG1 4.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.27Å; I9-I13 PolarHBondContact O-N 2.66Å; I9-L38 HydrophobicContact CD1-CD2 3.61Å; I9-I112 HydrophobicContact CD1-CB 4.04Å; I9-I112 HydrophobicContact CD1-CD1 3.85Å; I9-I112 HydrophobicContact CD1-CG2 3.74Å; I9-I112 HydrophobicContact CG1-CB 4.44Å; I9-I112 HydrophobicContact CG1-CG2 3.75Å; I9-K113 HydrophobicContact CG2-CB 3.87Å; I9-K113 HydrophobicContact CG2-CD 4.19Å; I9-K113 HydrophobicContact CG2-CG 4.48Å
10D97.7Very high81.3Confident87 Ų8786.9 Ų86.947%0.46546%0.459SS..Hα-helixtrans-66.2-40.5-179.4-66.7-25.5000111.7N8 L12 S14 K113N8-D10 VanDerWaalsContact C-N 3.25Å; N8-D10 PolarHBondContact O-N 2.89Å; D10-L12 VanDerWaalsContact C-N 3.34Å; D10-S14 VanDerWaalsContact O-CB 3.28Å; D10-S14 WeakPolarHBondContact O-CB 3.39Å; D10-S14 PolarHBondContact O-N 2.81Å; D10-K113 WeakPolarHBondContact OD1-CD 3.28Å; D10-K113 WeakPolarHBondContact OD1-CE 3.01Å; D10-K113 IonicContact OD1-NZ 3Å; D10-K113 PolarHBondContact OD1-NZ 3.42Å; D10-K113 IonicContact OD2-NZ 3.7Å; D10-K113 PolarHBondContact OD2-NZ 3.44Å
11S97.5Very high81.6Confident47 Ų4786.6 Ų86.633%0.32948%0.477SS..Hα-helixtrans-64.2-38.1172.5177.60000112.5N8 I9 R15N8-S11 PolarHBondContact O-N 2.82Å; N8-S11 PolarHBondContact OD1-N 2.88Å; N8-S11 VanDerWaalsContact OD1-N 3.11Å; I9-S11 PolarHBondContact O-N 3.27Å; S11-R15 PolarHBondContact O-N 3.06Å
12L98.1Very high84.3Confident1 Ų176.8 Ų76.81%0.00543%0.432CS..Hα-helixtrans-66.1-48.5177.9-69.8169000111.6L7 N8 I9 D10 S14 R15 L16 L30 E34 L38L7-L12 HydrophobicContact CD1-CD1 3.62Å; L7-L12 HydrophobicContact CG-CD1 3.99Å; N8-L12 WeakPolarHBondContact O-CG 3.39Å; N8-L12 PolarHBondContact O-N 3.09Å; I9-L12 HydrophobicContact CD1-CD1 4.31Å; I9-L12 WeakPolarHBondContact O-CB 3.45Å; I9-L12 PolarHBondContact O-N 2.93Å; D10-L12 VanDerWaalsContact C-N 3.34Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 2.65Å; L12-R15 PolarHBondContact O-N 3.18Å; L12-L16 WeakPolarHBondContact O-CB 3.39Å; L12-L16 WeakPolarHBondContact O-CD1 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.16Å; L12-L30 HydrophobicContact CD2-CD2 3.72Å; L12-E34 HydrophobicContact CD2-CB 3.78Å; L12-E34 HydrophobicContact CD2-CG 3.93Å; L12-L38 HydrophobicContact CD1-CD1 4.38Å; L12-L38 HydrophobicContact CD1-CD2 3.92Å; L12-L38 HydrophobicContact CD1-CG 4.09Å
13I98.5Very high87Confident17 Ų1778.3 Ų78.39%0.08742%0.416CS..Hα-helixtrans-59.8-47.2176.3-67.5171.6000109.7I9 R15 L16 L17 A109 Y110 K113I9-I13 HydrophobicContact CG2-CD1 3.71Å; I9-I13 HydrophobicContact CG2-CG1 4.25Å; I9-I13 WeakPolarHBondContact O-CG1 3.27Å; I9-I13 PolarHBondContact O-N 2.66Å; I13-R15 PolarHBondContact O-N 3.06Å; I13-L16 PolarHBondContact O-N 3.37Å; I13-L17 HydrophobicContact CG2-CD1 3.7Å; I13-L17 HydrophobicContact CG2-CG 4.16Å; I13-L17 VanDerWaalsContact O-CG 3.32Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.29Å; I13-A109 HydrophobicContact CD1-CB 4.33Å; I13-A109 HydrophobicContact CG1-CB 3.69Å; I13-Y110 HydrophobicContact CD1-CD1 3.95Å; I13-Y110 HydrophobicContact CD1-CE1 4.11Å; I13-Y110 HydrophobicContact CG2-CE1 3.89Å; I13-K113 HydrophobicContact CD1-CB 3.87Å; I13-K113 HydrophobicContact CD1-CG 4.08Å
14S97.7Very high89.5Confident78 Ų7872.8 Ų72.855%0.54540%0.396SS..Hα-helixtrans-57.2-47.2179.7179.40000112.5D10 L12 L16 L17 E18D10-S14 VanDerWaalsContact O-CB 3.28Å; D10-S14 WeakPolarHBondContact O-CB 3.39Å; D10-S14 PolarHBondContact O-N 2.81Å; L12-S14 VanDerWaalsContact C-N 3.34Å; L12-S14 PolarHBondContact O-N 2.65Å; S14-L16 PolarHBondContact O-N 3.02Å; S14-L17 PolarHBondContact O-N 2.77Å; S14-E18 PolarHBondContact O-N 3.28Å
15R97.8Very high91.8Very high60 Ų6069.9 Ų69.923%0.22638%0.382CS..Hα-helixtrans-64.2-39.2176.8-80.9-173.6-69.6163.5-14.6113.3S11 L12 I13 L17 E18 V28 Q29 E34S11-R15 PolarHBondContact O-N 3.06Å; L12-R15 PolarHBondContact O-N 3.18Å; I13-R15 PolarHBondContact O-N 3.06Å; R15-L17 VanDerWaalsContact C-N 3.35Å; R15-E18 PolarHBondContact O-N 3.44Å; R15-V28 HydrophobicContact CB-CG1 4.2Å; R15-Q29 PolarHBondContact NH1-O 3.01Å; R15-Q29 VanDerWaalsContact NH1-O 3.08Å; R15-E34 IonicContact CZ-OE1 3.55Å; R15-E34 IonicContact CZ-OE2 3.06Å; R15-E34 IonicContact NH1-OE1 2.66Å; R15-E34 IonicContact NH1-OE2 2.66Å; R15-E34 PolarHBondContact NH1-OE2 3.05Å; R15-E34 IonicContact NH2-OE1 3.03Å; R15-E34 PolarHBondContact NH2-OE1 2.88Å; R15-E34 IonicContact NH2-OE2 3.53Å; R15-E34 PolarHBondContact NH2-OE2 2.97Å
16L98.1Very high93.8Very high0 Ų067.2 Ų67.20%036%0.363CS..Hα-helixtrans-62.7-44.8175.9-76.7161.3000110.2L12 I13 S14 E18 V28 L30 Y69 E102 C105 L106L12-L16 WeakPolarHBondContact O-CB 3.39Å; L12-L16 WeakPolarHBondContact O-CD1 3.32Å; L12-L16 WeakPolarHBondContact O-CG 3.44Å; L12-L16 PolarHBondContact O-N 3.16Å; I13-L16 PolarHBondContact O-N 3.37Å; S14-L16 PolarHBondContact O-N 3.02Å; L16-E18 PolarHBondContact O-N 3.32Å; L16-V28 HydrophobicContact CD2-CB 4.12Å; L16-V28 HydrophobicContact CD2-CG1 4.05Å; L16-V28 HydrophobicContact CD2-CG2 4.23Å; L16-V28 HydrophobicContact CG-CG1 4.3Å; L16-L30 HydrophobicContact CD1-CD1 4.34Å; L16-L30 HydrophobicContact CD2-CD1 4.21Å; L16-L30 HydrophobicContact CG-CD1 4.39Å; L16-Y69 WeakPolarHBondContact CB-OH 3.36Å; L16-Y69 PolarHBondContact O-OH 3.01Å; L16-E102 HydrophobicContact CD2-CB 4.36Å; L16-E102 HydrophobicContact CD2-CG 4.39Å; L16-C105 HydrophobicContact CD1-CB 4.16Å; L16-C105 HydrophobicContact CD2-CB 4.31Å; L16-L106 HydrophobicContact CB-CD1 4.02Å; L16-L106 HydrophobicContact CD1-CB 4.14Å; L16-L106 HydrophobicContact CD1-CD1 4.25Å
17L97.8Very high94.9Very high35 Ų3560.7 Ų60.718%0.18334%0.338CS..Hα-helixtrans-75.4-18.2-179.6-62.1179.6000114.7I13 S14 R15 V19 R20 L73 F81 L106 Y110I13-L17 HydrophobicContact CG2-CD1 3.7Å; I13-L17 HydrophobicContact CG2-CG 4.16Å; I13-L17 VanDerWaalsContact O-CG 3.32Å; I13-L17 WeakPolarHBondContact O-CG 3.42Å; I13-L17 PolarHBondContact O-N 3.29Å; S14-L17 PolarHBondContact O-N 2.77Å; R15-L17 VanDerWaalsContact C-N 3.35Å; L17-V19 PolarHBondContact O-N 2.95Å; L17-V19 VanDerWaalsContact O-N 3.13Å; L17-R20 WeakPolarHBondContact O-CB 3.36Å; L17-R20 WeakPolarHBondContact O-CD 3.28Å; L17-R20 WeakPolarHBondContact O-CG 3.32Å; L17-R20 PolarHBondContact O-N 3.37Å; L17-R20 VanDerWaalsContact O-N 3.13Å; L17-L73 HydrophobicContact CD2-CD2 3.67Å; L17-F81 HydrophobicContact CD1-CD1 4.45Å; L17-F81 HydrophobicContact CD2-CD1 4.17Å; L17-F81 HydrophobicContact CD2-CE1 3.72Å; L17-L106 HydrophobicContact CD2-CD1 4.16Å; L17-L106 HydrophobicContact CD2-CD2 4.04Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.33Å
18E95.5Very high95.2Very high137 Ų13758.5 Ų58.564%0.6433%0.327SS*.G310 helixtrans-59.3-27.5-177.8-165.2-173.6161.800112.8S14 R15 L16 R20S14-E18 PolarHBondContact O-N 3.28Å; R15-E18 PolarHBondContact O-N 3.44Å; L16-E18 PolarHBondContact O-N 3.32Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.43Å
19V94.9Very high95.1Very high6 Ų660.7 Ų60.74%0.03633%0.334CS..G310 helixtrans-80.8-1.7-178.2-55.20000114.3L17 G21 S22 K26 V28 Y69 Y70 L73L17-V19 PolarHBondContact O-N 2.95Å; L17-V19 VanDerWaalsContact O-N 3.13Å; V19-G21 VanDerWaalsContact C-N 3.29Å; V19-G21 PolarHBondContact O-N 3.2Å; V19-S22 WeakPolarHBondContact O-CA 3.34Å; V19-S22 VanDerWaalsContact O-CB 3.26Å; V19-S22 WeakPolarHBondContact O-CB 3.18Å; V19-S22 PolarHBondContact O-N 3.35Å; V19-K26 HydrophobicContact CG1-CB 4.49Å; V19-K26 HydrophobicContact CG1-CD 3.97Å; V19-K26 HydrophobicContact CG1-CG 4.2Å; V19-V28 HydrophobicContact CB-CG2 4.49Å; V19-V28 HydrophobicContact CG1-CG2 3.72Å; V19-V28 HydrophobicContact CG2-CG2 3.93Å; V19-Y69 HydrophobicContact CG2-CD1 4.42Å; V19-Y69 HydrophobicContact CG2-CE1 3.63Å; V19-Y70 WeakPolarHBondContact O-CE1 3.42Å; V19-Y70 PolarHBondContact O-OH 3.06Å; V19-L73 HydrophobicContact CG2-CD1 4.24Å
20R91.3Very high95.1Very high103 Ų10360.3 Ų60.339%0.38933%0.332SS..G310 helixtrans-51.7-44178.1-79.5175.261.1-168-2.2113.5L17 E18 S22 L73 E77 F81L17-R20 WeakPolarHBondContact O-CB 3.36Å; L17-R20 WeakPolarHBondContact O-CD 3.28Å; L17-R20 WeakPolarHBondContact O-CG 3.32Å; L17-R20 PolarHBondContact O-N 3.37Å; L17-R20 VanDerWaalsContact O-N 3.13Å; E18-R20 VanDerWaalsContact C-N 3.27Å; E18-R20 PolarHBondContact O-N 3.43Å; R20-S22 VanDerWaalsContact C-N 3.34Å; R20-L73 HydrophobicContact CG-CB 4.2Å; R20-L73 HydrophobicContact CG-CD1 3.81Å; R20-L73 HydrophobicContact CG-CD2 4.04Å; R20-L73 HydrophobicContact CG-CG 4.23Å; R20-E77 IonicContact CZ-OE1 2.75Å; R20-E77 IonicContact NH2-OE1 2.95Å; R20-E77 PolarHBondContact NH2-OE1 3.15Å; R20-F81 VanDerWaalsContact NH1-CE2 3.28Å
21G87.4Confident95.1Very high81 Ų8158.7 Ų58.784%0.83533%0.327SS*.G310 helixtrans-86.6-2.5177.200000114.3V19V19-G21 VanDerWaalsContact C-N 3.29Å; V19-G21 PolarHBondContact O-N 3.2Å
22S91.2Very high95.1Very high33 Ų3359.7 Ų59.723%0.23133%0.327CS..SBendtrans-84.3163.4179.2-630000111.3V19 R20 K26V19-S22 WeakPolarHBondContact O-CA 3.34Å; V19-S22 VanDerWaalsContact O-CB 3.26Å; V19-S22 WeakPolarHBondContact O-CB 3.18Å; V19-S22 PolarHBondContact O-N 3.35Å; R20-S22 VanDerWaalsContact C-N 3.34Å; S22-K26 WeakPolarHBondContact OG-CD 3.34Å; S22-K26 PolarHBondContact OG-NZ 3.38Å
23R89.8Confident95.1Very high136 Ų13662.5 Ų62.551%0.51335%0.351SS..PPolyproline II helixtrans-54.8131.6172-176-177.2-176.21776.5110.5G25 K26 Y70 F304 F306R23-G25 PolarHBondContact O-N 3.4Å; R23-K26 PolarHBondContact O-N 3.17Å; R23-Y70 PolarHBondContact O-OH 2.89Å; R23-F304 HydrophobicContact CG-CD1 4.39Å; R23-F304 HydrophobicContact CG-CE1 4.06Å; R23-F306 VanDerWaalsContact NH2-CD2 3.25Å
24P91.8Very high95.1Very high73 Ų7364.1 Ų64.147%0.47436%0.357SS..THydrogen-bonded Turntrans-49.6135.2174-29.836.3000113.2Y70P24-Y70 HydrophobicContact CB-CD1 4.01Å; P24-Y70 HydrophobicContact CB-CD2 4.24Å; P24-Y70 HydrophobicContact CB-CE1 4.34Å; P24-Y70 HydrophobicContact CB-CG 3.94Å; P24-Y70 HydrophobicContact CG-CD1 4.03Å; P24-Y70 HydrophobicContact CG-CE1 4.37Å; P24-Y70 HydrophobicContact CG-CG 4.41Å
25G92.2Very high95.1Very high43 Ų4360.4 Ų60.444%0.44333%0.332SS..THydrogen-bonded Turntrans96.3-0.3-175.200000115.6R23 N27 Q99R23-G25 PolarHBondContact O-N 3.4Å; G25-N27 PolarHBondContact O-N 3.3Å; G25-Q99 VanDerWaalsContact CA-OE1 3.29Å
26K95.3Very high95.1Very high104 Ų10462.4 Ų62.445%0.45234%0.339SS..PPolyproline II helixtrans-70123.8173.8-174.2-178.9172.9-172.30109.3V19 S22 R23 Y70 Q99V19-K26 HydrophobicContact CG1-CB 4.49Å; V19-K26 HydrophobicContact CG1-CD 3.97Å; V19-K26 HydrophobicContact CG1-CG 4.2Å; S22-K26 WeakPolarHBondContact OG-CD 3.34Å; S22-K26 PolarHBondContact OG-NZ 3.38Å; R23-K26 PolarHBondContact O-N 3.17Å; K26-Y70 WeakPolarHBondContact CB-OH 3.22Å; K26-Y70 PolarHBondContact N-OH 2.96Å; K26-Q99 PolarHBondContact O-NE2 2.89Å
27N96.3Very high95.1Very high61 Ų6163.3 Ų63.333%0.32635%0.348SS..PPolyproline II helixtrans-75.1150.6176-67.7-17000111.5G25 Q99 E102G25-N27 PolarHBondContact O-N 3.3Å; N27-Q99 PolarHBondContact OD1-NE2 3.33Å; N27-E102 VanDerWaalsContact CA-OE1 3.23Å; N27-E102 WeakPolarHBondContact CA-OE1 3.27Å; N27-E102 WeakPolarHBondContact CB-OE1 3.27Å
28V97Very high95.2Very high8 Ų861.6 Ų61.65%0.04834%0.339CS..PPolyproline II helixtrans-99.6130.3171.4-177.90000108.3R15 L16 V19 L30 Y69 E102 R143R15-V28 HydrophobicContact CB-CG1 4.2Å; L16-V28 HydrophobicContact CD2-CB 4.12Å; L16-V28 HydrophobicContact CD2-CG1 4.05Å; L16-V28 HydrophobicContact CD2-CG2 4.23Å; L16-V28 HydrophobicContact CG-CG1 4.3Å; V19-V28 HydrophobicContact CB-CG2 4.49Å; V19-V28 HydrophobicContact CG1-CG2 3.72Å; V19-V28 HydrophobicContact CG2-CG2 3.93Å; V28-L30 HydrophobicContact CG1-CD2 4.03Å; V28-L30 HydrophobicContact CG1-CG 4.27Å; V28-L30 PolarHBondContact O-N 2.93Å; V28-Y69 HydrophobicContact CG2-CE1 4.41Å; V28-E102 HydrophobicContact CB-CG 3.96Å; V28-E102 HydrophobicContact CG2-CG 3.94Å; V28-E102 PolarHBondContact N-OE1 3.22Å; V28-R143 PolarHBondContact O-NH2 2.93Å
29Q93.5Very high95.3Very high145 Ų14555.1 Ų55.168%0.67831%0.309SS*.  trans-89.1104.6179-63.6-63.7-18.400109.7R15R15-Q29 PolarHBondContact NH1-O 3.01Å; R15-Q29 VanDerWaalsContact NH1-O 3.08Å
30L97.3Very high95.5Very high11 Ų1159.4 Ų59.46%0.05833%0.331CS..  trans-109.9145.3168.6-56-176.3000107.9L12 L16 V28 I35 C105 Y144L12-L30 HydrophobicContact CD2-CD2 3.72Å; L16-L30 HydrophobicContact CD1-CD1 4.34Å; L16-L30 HydrophobicContact CD2-CD1 4.21Å; L16-L30 HydrophobicContact CG-CD1 4.39Å; V28-L30 HydrophobicContact CG1-CD2 4.03Å; V28-L30 HydrophobicContact CG1-CG 4.27Å; V28-L30 PolarHBondContact O-N 2.93Å; L30-I35 HydrophobicContact CB-CD1 4.04Å; L30-I35 HydrophobicContact CB-CG1 3.77Å; L30-I35 HydrophobicContact CD1-CG1 4.1Å; L30-C105 HydrophobicContact CD1-CB 3.92Å; L30-Y144 WeakPolarHBondContact O-CE1 3.35Å; L30-Y144 PolarHBondContact O-OH 3.25Å
31S97.6Very high95.8Very high54 Ų5458.4 Ų58.438%0.37833%0.33SS..  trans-73.3154.4171.768.60000110.7A33 E34 I35S31-A33 PolarHBondContact O-N 3.4Å; S31-E34 PolarHBondContact N-OE2 3.1Å; S31-E34 WeakPolarHBondContact O-CB 3.3Å; S31-E34 PolarHBondContact O-N 2.62Å; S31-E34 VanDerWaalsContact O-N 3.11Å; S31-E34 WeakPolarHBondContact OG-CB 3.29Å; S31-E34 VanDerWaalsContact OG-CD 3.24Å; S31-E34 WeakPolarHBondContact OG-CG 3.45Å; S31-E34 PolarHBondContact OG-N 3.45Å; S31-E34 PolarHBondContact OG-OE2 3.03Å; S31-E34 VanDerWaalsContact OG-OE2 3.07Å; S31-I35 PolarHBondContact O-N 3.14Å; S31-I35 VanDerWaalsContact O-N 3.11Å
32E97.8Very high96.4Very high67 Ų6754.5 Ų54.531%0.31329%0.29SS..Hα-helixtrans-56.2-37.6174.4-178.1-175.8161.300111.8E34 I35 R36 Y144 N145 L148E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 2.72Å; E32-I35 PolarHBondContact O-N 3.28Å; E32-R36 VanDerWaalsContact O-CB 3.27Å; E32-R36 WeakPolarHBondContact O-CB 3.35Å; E32-R36 PolarHBondContact O-N 3.12Å; E32-Y144 HydrophobicContact CB-CD1 4.25Å; E32-N145 PolarHBondContact OE1-ND2 3.33Å; E32-N145 PolarHBondContact OE2-ND2 3.26Å; E32-L148 HydrophobicContact CG-CD1 4.36Å
33A97.6Very high96.7Very high61 Ų6156.6 Ų56.650%0.50429%0.293SS..Hα-helixtrans-63.4-40.2178.400000112.1S31 G37S31-A33 PolarHBondContact O-N 3.4Å; A33-G37 PolarHBondContact O-N 3.19Å
34E98.2Very high97.1Very high50 Ų5054.7 Ų54.723%0.23429%0.29CS..Hα-helixtrans-65.3-47.9176.4-73.8166.1149.800111.7L12 R15 S31 E32 R36 G37 L38L12-E34 HydrophobicContact CD2-CB 3.78Å; L12-E34 HydrophobicContact CD2-CG 3.93Å; R15-E34 IonicContact CZ-OE1 3.55Å; R15-E34 IonicContact CZ-OE2 3.06Å; R15-E34 IonicContact NH1-OE1 2.66Å; R15-E34 IonicContact NH1-OE2 2.66Å; R15-E34 PolarHBondContact NH1-OE2 3.05Å; R15-E34 IonicContact NH2-OE1 3.03Å; R15-E34 PolarHBondContact NH2-OE1 2.88Å; R15-E34 IonicContact NH2-OE2 3.53Å; R15-E34 PolarHBondContact NH2-OE2 2.97Å; S31-E34 PolarHBondContact N-OE2 3.1Å; S31-E34 WeakPolarHBondContact O-CB 3.3Å; S31-E34 PolarHBondContact O-N 2.62Å; S31-E34 VanDerWaalsContact O-N 3.11Å; S31-E34 WeakPolarHBondContact OG-CB 3.29Å; S31-E34 VanDerWaalsContact OG-CD 3.24Å; S31-E34 WeakPolarHBondContact OG-CG 3.45Å; S31-E34 PolarHBondContact OG-N 3.45Å; S31-E34 PolarHBondContact OG-OE2 3.03Å; S31-E34 VanDerWaalsContact OG-OE2 3.07Å; E32-E34 VanDerWaalsContact C-N 3.35Å; E32-E34 PolarHBondContact O-N 2.72Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 2.74Å; E34-G37 WeakPolarHBondContact O-CA 3.17Å; E34-G37 PolarHBondContact O-N 3.26Å; E34-G37 VanDerWaalsContact O-N 3.11Å; E34-L38 PolarHBondContact O-N 3.13Å
35I98.5Very high97.5Very high1 Ų151.7 Ų51.71%0.00527%0.269CS..Hα-helixtrans-63.5-43.1179.1-59.2176.4000110.5L30 S31 E32 G37 L38 A39 Y144 L148 F152L30-I35 HydrophobicContact CB-CD1 4.04Å; L30-I35 HydrophobicContact CB-CG1 3.77Å; L30-I35 HydrophobicContact CD1-CG1 4.1Å; S31-I35 PolarHBondContact O-N 3.14Å; S31-I35 VanDerWaalsContact O-N 3.11Å; E32-I35 PolarHBondContact O-N 3.28Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 3.26Å; I35-L38 WeakPolarHBondContact O-CB 3.24Å; I35-L38 PolarHBondContact O-N 3.34Å; I35-A39 PolarHBondContact O-N 3.32Å; I35-Y144 HydrophobicContact CD1-CD1 4.43Å; I35-Y144 HydrophobicContact CD1-CD2 4.26Å; I35-Y144 HydrophobicContact CD1-CE1 3.77Å; I35-Y144 HydrophobicContact CD1-CE2 3.58Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.15Å; I35-L148 HydrophobicContact CB-CD1 4.12Å; I35-L148 HydrophobicContact CB-CD2 4.41Å; I35-L148 HydrophobicContact CD1-CD2 4.15Å; I35-L148 HydrophobicContact CG2-CD1 3.81Å; I35-L148 HydrophobicContact CG2-CD2 4.11Å; I35-L148 HydrophobicContact CG2-CG 4.33Å; I35-F152 HydrophobicContact CG2-CE1 4.23Å; I35-F152 HydrophobicContact CG2-CE2 3.63Å; I35-F152 HydrophobicContact CG2-CZ 3.26Å
36R98.4Very high97.8Very high102 Ų10249.7 Ų49.739%0.38525%0.249SC..Hα-helixtrans-60.2-39.8174.4-168.3179.472.3-155.23.2111.2E32 E34 A39 L40 T151E32-R36 VanDerWaalsContact O-CB 3.27Å; E32-R36 WeakPolarHBondContact O-CB 3.35Å; E32-R36 PolarHBondContact O-N 3.12Å; E34-R36 VanDerWaalsContact C-N 3.34Å; E34-R36 PolarHBondContact O-N 2.74Å; R36-A39 PolarHBondContact O-N 2.91Å; R36-L40 HydrophobicContact CG-CD1 3.94Å; R36-L40 HydrophobicContact CG-CG 4.33Å; R36-L40 WeakPolarHBondContact O-CB 3.39Å; R36-L40 VanDerWaalsContact O-CG 3.24Å; R36-L40 WeakPolarHBondContact O-CG 3.25Å; R36-L40 PolarHBondContact O-N 3.28Å; R36-T151 HydrophobicContact CG-CG2 3.85Å
37G98.3Very high97.9Very high18 Ų1847.8 Ų47.819%0.18624%0.243CC..Hα-helixtrans-59.6-45.7174.100000112.6L7 A33 E34 I35 L40 K41L7-G37 VanDerWaalsContact CD2-C 3.5Å; A33-G37 PolarHBondContact O-N 3.19Å; E34-G37 WeakPolarHBondContact O-CA 3.17Å; E34-G37 PolarHBondContact O-N 3.26Å; E34-G37 VanDerWaalsContact O-N 3.11Å; I35-G37 VanDerWaalsContact C-N 3.26Å; I35-G37 PolarHBondContact O-N 3.26Å; G37-L40 PolarHBondContact O-N 3.31Å; G37-K41 WeakPolarHBondContact O-CB 3.45Å; G37-K41 PolarHBondContact O-N 3.3Å
38L98.7Very high98Very high0 Ų052.6 Ų52.60%026%0.257CS..Hα-helixtrans-58.5-50.1174.9-69.8173.3000111.4L7 I9 L12 E34 I35 L40 K41 S42 C105 L108 A109 I112L7-L38 HydrophobicContact CD2-CD2 4.31Å; I9-L38 HydrophobicContact CD1-CD2 3.61Å; L12-L38 HydrophobicContact CD1-CD1 4.38Å; L12-L38 HydrophobicContact CD1-CD2 3.92Å; L12-L38 HydrophobicContact CD1-CG 4.09Å; E34-L38 PolarHBondContact O-N 3.13Å; I35-L38 WeakPolarHBondContact O-CB 3.24Å; I35-L38 PolarHBondContact O-N 3.34Å; L38-L40 PolarHBondContact O-N 2.85Å; L38-K41 PolarHBondContact O-N 3.46Å; L38-S42 VanDerWaalsContact O-CB 3.29Å; L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 2.76Å; L38-S42 PolarHBondContact O-OG 3.13Å; L38-C105 HydrophobicContact CD1-CB 3.94Å; L38-L108 HydrophobicContact CB-CB 4.41Å; L38-A109 HydrophobicContact CD2-CB 3.82Å; L38-I112 HydrophobicContact CB-CD1 4.45Å; L38-I112 HydrophobicContact CD2-CD1 3.71Å
39A98.7Very high98.1Very high1 Ų153.1 Ų53.11%0.00826%0.258CS..Hα-helixtrans-61.5-44.9-179.700000112.3I35 R36 S42 R43 T151 C155I35-A39 PolarHBondContact O-N 3.32Å; R36-A39 PolarHBondContact O-N 2.91Å; A39-S42 PolarHBondContact O-OG 3.14Å; A39-S42 VanDerWaalsContact O-OG 3.05Å; A39-R43 WeakPolarHBondContact O-CB 3.47Å; A39-R43 PolarHBondContact O-N 2.95Å; A39-T151 HydrophobicContact CB-CG2 3.79Å; A39-C155 HydrophobicContact CB-CB 4.16Å; A39-C155 PolarHBondContact O-SG 2.69Å; A39-C155 VanDerWaalsContact O-SG 3.38Å
40L98.4Very high98.4Very high95 Ų9550.1 Ų50.150%0.49725%0.252SS..Hα-helixtrans-68.3-42.8-179.6-70.1173.7000112.5R36 G37 L38 E44R36-L40 HydrophobicContact CG-CD1 3.94Å; R36-L40 HydrophobicContact CG-CG 4.33Å; R36-L40 WeakPolarHBondContact O-CB 3.39Å; R36-L40 VanDerWaalsContact O-CG 3.24Å; R36-L40 WeakPolarHBondContact O-CG 3.25Å; R36-L40 PolarHBondContact O-N 3.28Å; G37-L40 PolarHBondContact O-N 3.31Å; L38-L40 PolarHBondContact O-N 2.85Å; L40-E44 PolarHBondContact O-N 2.65Å
41K98.5Very high98.4Very high82 Ų8250 Ų5036%0.35725%0.251SS..Hα-helixtrans-73.7-40-177.5-171.164.9-171.6170.40112.2L7 G37 L38 R43 E44 I45 I112L7-K41 HydrophobicContact CD2-CB 4.42Å; G37-K41 WeakPolarHBondContact O-CB 3.45Å; G37-K41 PolarHBondContact O-N 3.3Å; L38-K41 PolarHBondContact O-N 3.46Å; K41-R43 VanDerWaalsContact C-N 3.35Å; K41-E44 WeakPolarHBondContact CD-OE2 3.43Å; K41-E44 IonicContact NZ-OE1 3.38Å; K41-E44 PolarHBondContact NZ-OE1 3.24Å; K41-E44 IonicContact NZ-OE2 3.69Å; K41-E44 PolarHBondContact NZ-OE2 2.95Å; K41-E44 WeakPolarHBondContact O-CB 3.42Å; K41-E44 PolarHBondContact O-N 2.76Å; K41-I45 WeakPolarHBondContact O-CG1 3.44Å; K41-I45 PolarHBondContact O-N 3.28Å; K41-I112 HydrophobicContact CB-CD1 3.87Å; K41-I112 HydrophobicContact CB-CG1 4.22Å; K41-I112 HydrophobicContact CG-CD1 4.21Å; K41-I112 HydrophobicContact CG-CG1 4.1Å; K41-I112 HydrophobicContact CG-CG2 3.93Å
42S98.7Very high98.5Very high0 Ų047.5 Ų47.50%023%0.233CC..Hα-helixtrans-63.8-40.4173.156.10000111.8L38 A39 E44 I45 F46 C155L38-S42 VanDerWaalsContact O-CB 3.29Å; L38-S42 WeakPolarHBondContact O-CB 3.5Å; L38-S42 PolarHBondContact O-N 2.76Å; L38-S42 PolarHBondContact O-OG 3.13Å; A39-S42 PolarHBondContact O-OG 3.14Å; A39-S42 VanDerWaalsContact O-OG 3.05Å; S42-E44 VanDerWaalsContact C-N 3.32Å; S42-E44 PolarHBondContact O-N 3.08Å; S42-I45 WeakPolarHBondContact O-CB 3.41Å; S42-I45 PolarHBondContact O-N 3.32Å; S42-F46 WeakPolarHBondContact O-CD2 3.35Å; S42-F46 VanDerWaalsContact O-CG 3.3Å; S42-F46 WeakPolarHBondContact O-CG 3.19Å; S42-F46 PolarHBondContact O-N 3.46Å; S42-C155 PolarHBondContact OG-SG 3.27Å
43R98.7Very high98.5Very high76 Ų7644.6 Ų44.629%0.28722%0.22SC..Hα-helixtrans-54.9-44.7173.3-177.4-177.6175.2-81.3-1.7112.7A39 K41 I45 F46 L47 D154 C155 C158A39-R43 WeakPolarHBondContact O-CB 3.47Å; A39-R43 PolarHBondContact O-N 2.95Å; K41-R43 VanDerWaalsContact C-N 3.35Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-I45 PolarHBondContact O-N 2.78Å; R43-F46 PolarHBondContact O-N 2.8Å; R43-L47 HydrophobicContact CG-CD1 4.33Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.45Å; R43-D154 WeakPolarHBondContact CD-O 3.25Å; R43-D154 PolarHBondContact NE-O 3.35Å; R43-C155 HydrophobicContact CB-CB 4.47Å; R43-C158 HydrophobicContact CG-CB 3.95Å; R43-C158 VanDerWaalsContact CG-SG 3.58Å
44E98.5Very high98.6Very high97 Ų9748 Ų4845%0.45323%0.225SC..Hα-helixtrans-58.7-45.2175-174.8-164.7142.200111.4L40 K41 S42 L47 R48L40-E44 PolarHBondContact O-N 2.65Å; K41-E44 WeakPolarHBondContact CD-OE2 3.43Å; K41-E44 IonicContact NZ-OE1 3.38Å; K41-E44 PolarHBondContact NZ-OE1 3.24Å; K41-E44 IonicContact NZ-OE2 3.69Å; K41-E44 PolarHBondContact NZ-OE2 2.95Å; K41-E44 WeakPolarHBondContact O-CB 3.42Å; K41-E44 PolarHBondContact O-N 2.76Å; S42-E44 VanDerWaalsContact C-N 3.32Å; S42-E44 PolarHBondContact O-N 3.08Å; E44-L47 PolarHBondContact O-N 3.09Å; E44-R48 WeakPolarHBondContact O-CB 3.37Å; E44-R48 PolarHBondContact O-N 3.17Å; E44-R48 VanDerWaalsContact O-N 3.12Å
45I98.7Very high98.6Very high9 Ų946.3 Ų46.35%0.04622%0.218CC..Hα-helixtrans-63.7-46.1178.6-64166.7000110.7K41 S42 R43 L47 R48 Q49 K111 I112 P115K41-I45 WeakPolarHBondContact O-CG1 3.44Å; K41-I45 PolarHBondContact O-N 3.28Å; S42-I45 WeakPolarHBondContact O-CB 3.41Å; S42-I45 PolarHBondContact O-N 3.32Å; R43-I45 VanDerWaalsContact C-N 3.33Å; R43-I45 PolarHBondContact O-N 2.78Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 3.05Å; I45-R48 PolarHBondContact O-N 3.29Å; I45-R48 VanDerWaalsContact O-N 3.16Å; I45-Q49 PolarHBondContact O-N 3.46Å; I45-K111 HydrophobicContact CG2-CD 4.48Å; I45-K111 HydrophobicContact CG2-CG 4.5Å; I45-I112 HydrophobicContact CD1-CB 4.22Å; I45-I112 HydrophobicContact CD1-CG1 3.96Å; I45-I112 HydrophobicContact CD1-CG2 4.42Å; I45-P115 HydrophobicContact CD1-CB 4.49Å; I45-P115 HydrophobicContact CG2-CB 4.01Å
46F98.8Very high98.6Very high1 Ų153.6 Ų53.60%0.00425%0.252CS..Hα-helixtrans-61.9-40.9179.9-61.2-49.2000112.4S42 R43 R48 Q49 L108 K111 L120 C158 L159 R191S42-F46 WeakPolarHBondContact O-CD2 3.35Å; S42-F46 VanDerWaalsContact O-CG 3.3Å; S42-F46 WeakPolarHBondContact O-CG 3.19Å; S42-F46 PolarHBondContact O-N 3.46Å; R43-F46 PolarHBondContact O-N 2.8Å; F46-R48 VanDerWaalsContact C-N 3.29Å; F46-R48 PolarHBondContact O-N 3.41Å; F46-Q49 PolarHBondContact O-N 3.43Å; F46-L108 HydrophobicContact CE2-CD2 3.89Å; F46-L108 HydrophobicContact CZ-CD2 3.87Å; F46-K111 HydrophobicContact CD1-CG 4.45Å; F46-K111 HydrophobicContact CE1-CD 3.99Å; F46-K111 HydrophobicContact CE1-CG 3.65Å; F46-K111 HydrophobicContact CZ-CG 3.92Å; F46-L120 HydrophobicContact CE1-CB 4.27Å; F46-L120 HydrophobicContact CZ-CB 4.4Å; F46-L120 HydrophobicContact CZ-CD1 4.14Å; F46-C158 HydrophobicContact CB-CB 4.25Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.41Å; F46-L159 HydrophobicContact CD1-CD2 4.2Å; F46-L159 HydrophobicContact CD2-CD2 4.09Å; F46-L159 HydrophobicContact CE1-CD2 3.72Å; F46-L159 HydrophobicContact CE2-CD2 3.62Å; F46-L159 HydrophobicContact CE2-CG 4.38Å; F46-L159 HydrophobicContact CG-CD2 4.39Å; F46-L159 HydrophobicContact CZ-CD2 3.41Å; F46-L159 VanDerWaalsContact CZ-CD2 3.41Å; F46-R191 VanDerWaalsContact O-CZ 3.3Å; F46-R191 PolarHBondContact O-NH1 3.45Å; F46-R191 PolarHBondContact O-NH2 2.94Å; F46-R191 VanDerWaalsContact O-NH2 3.1Å
47L98.6Very high98.6Very high65 Ų6549.5 Ų49.534%0.3424%0.24SC..Hα-helixtrans-67.7-28.9176.9-75.4173.9000113R43 E44 I45 C158 R191R43-L47 HydrophobicContact CG-CD1 4.33Å; R43-L47 WeakPolarHBondContact O-CG 3.37Å; R43-L47 PolarHBondContact O-N 3.45Å; E44-L47 PolarHBondContact O-N 3.09Å; I45-L47 VanDerWaalsContact C-N 3.34Å; I45-L47 PolarHBondContact O-N 3.05Å; L47-C158 HydrophobicContact CD2-CB 4.1Å; L47-C158 HydrophobicContact CG-CB 4.01Å; L47-R191 HydrophobicContact CD2-CB 3.75Å
48R98.5Very high98.6Very high162 Ų16251.5 Ų51.561%0.61125%0.25SC*.Hα-helixtrans-77-34177.1-172.518067.3179.54.5112.4E44 I45 F46E44-R48 WeakPolarHBondContact O-CB 3.37Å; E44-R48 PolarHBondContact O-N 3.17Å; E44-R48 VanDerWaalsContact O-N 3.12Å; I45-R48 PolarHBondContact O-N 3.29Å; I45-R48 VanDerWaalsContact O-N 3.16Å; F46-R48 VanDerWaalsContact C-N 3.29Å; F46-R48 PolarHBondContact O-N 3.41Å
49Q98.6Very high98.6Very high18 Ų1851.8 Ų51.88%0.08425%0.251CS..SBendtrans-81.9154.1176-73.2179.6-21.900111I45 F46 L53 K111 P115 E116 R191I45-Q49 PolarHBondContact O-N 3.46Å; F46-Q49 PolarHBondContact O-N 3.43Å; Q49-L53 HydrophobicContact CB-CD2 4.24Å; Q49-K111 VanDerWaalsContact OE1-CE 3.25Å; Q49-P115 PolarHBondContact NE2-O 2.87Å; Q49-E116 PolarHBondContact NE2-OE1 3.14Å; Q49-E116 PolarHBondContact NE2-OE2 3.15Å; Q49-R191 PolarHBondContact O-NH2 3.39Å
50P98.6Very high98.6Very high83 Ų8353.3 Ų53.354%0.53926%0.258SS..  trans-56.6154175.6-27.737.7000113.4L52 L53P50-L52 WeakPolarHBondContact CB-O 3.28Å; P50-L53 WeakPolarHBondContact O-CD2 3.36Å
51I98.8Very high98.6Very high8 Ų848.8 Ų48.84%0.04123%0.234CC..SBendtrans-76.1-30.1173.3-165175.5000112.4P160 I161 V162 I186 I189 R191I51-P160 CarbonylContact O-C 3.59Å; I51-P160 WeakPolarHBondContact O-CA 3.21Å; I51-P160 VanDerWaalsContact O-CB 3.24Å; I51-P160 WeakPolarHBondContact O-CB 3.48Å; I51-I161 HydrophobicContact CD1-CG1 3.68Å; I51-I161 HydrophobicContact CG1-CB 4.37Å; I51-I161 HydrophobicContact CG1-CG1 3.76Å; I51-I161 PolarHBondContact O-N 3.11Å; I51-V162 PolarHBondContact O-N 3.38Å; I51-I186 WeakPolarHBondContact CG2-O 3.49Å; I51-I189 HydrophobicContact CD1-CB 3.71Å; I51-I189 HydrophobicContact CD1-CG2 3.58Å; I51-R191 HydrophobicContact CD1-CG 3.75Å; I51-R191 HydrophobicContact CG1-CG 4.38Å
52L98.8Very high98.6Very high1 Ų144.9 Ų44.91%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-101.9106.4165.3-177.4160.4000106.3P50 E54 V162 I164 M183 I186 R187P50-L52 WeakPolarHBondContact CB-O 3.28Å; L52-E54 HydrophobicContact CD2-CG 3.97Å; L52-V162 CarbonylContact C-O 3.6Å; L52-V162 WeakPolarHBondContact CA-O 3.32Å; L52-V162 HydrophobicContact CD1-CG1 4.45Å; L52-V162 HydrophobicContact CG-CB 4.39Å; L52-V162 HydrophobicContact CG-CG1 4.19Å; L52-I164 HydrophobicContact CD1-CD1 4.35Å; L52-I164 HydrophobicContact CD2-CD1 4.09Å; L52-I164 HydrophobicContact CD2-CG1 4.17Å; L52-M183 HydrophobicContact CD1-CB 3.91Å; L52-M183 HydrophobicContact CD1-CG 4.42Å; L52-M183 HydrophobicContact CD1-SD 4.13Å; L52-I186 HydrophobicContact CB-CG2 4.07Å; L52-I186 HydrophobicContact CD1-CB 4.17Å; L52-I186 HydrophobicContact CD1-CD1 4.27Å; L52-I186 HydrophobicContact CD1-CG2 4.28Å; L52-R187 HydrophobicContact CB-CG 4.18Å; L52-R187 HydrophobicContact CD1-CG 4.46Å
53L98.9Very high98.6Very high6 Ų644.9 Ų44.93%0.03122%0.217CC..EExtended strand (participates in β ladder)trans-76140.4179.6-60.4174.6000110.2Q49 P50 L55 F119 L121 P160 V162 A163 I164Q49-L53 HydrophobicContact CB-CD2 4.24Å; P50-L53 WeakPolarHBondContact O-CD2 3.36Å; L53-L55 HydrophobicContact CB-CD1 4.47Å; L53-L55 HydrophobicContact CB-CD2 4.05Å; L53-L55 HydrophobicContact CB-CG 4.07Å; L53-F119 HydrophobicContact CD1-CB 3.98Å; L53-F119 HydrophobicContact CD1-CD1 3.83Å; L53-F119 HydrophobicContact CD1-CG 4.24Å; L53-L121 HydrophobicContact CD1-CD2 3.96Å; L53-P160 HydrophobicContact CD1-CB 4.13Å; L53-P160 HydrophobicContact CD1-CG 3.79Å; L53-P160 HydrophobicContact CD2-CB 4.25Å; L53-P160 HydrophobicContact CD2-CG 4.38Å; L53-P160 HydrophobicContact CG-CB 3.88Å; L53-P160 HydrophobicContact CG-CG 4.08Å; L53-V162 PolarHBondContact N-O 3.28Å; L53-A163 HydrophobicContact CB-CB 3.88Å; L53-A163 CarbonylContact O-C 3.54Å; L53-A163 VanDerWaalsContact O-CA 3.23Å; L53-A163 WeakPolarHBondContact O-CA 3.38Å; L53-I164 PolarHBondContact O-N 3.35Å
54E98.8Very high98.6Very high132 Ų13241.3 Ų41.362%0.61720%0.204SC*.EExtended strand (participates in β ladder)trans-112.2116.4170.1-67.5174.9-162.500106.1L52 R187L52-E54 HydrophobicContact CD2-CG 3.97Å; E54-R187 IonicContact OE1-CZ 3.34Å; E54-R187 IonicContact OE1-NE 3.44Å; E54-R187 IonicContact OE1-NH2 3.44Å; E54-R187 PolarHBondContact OE1-NH2 2.91Å
55L98.7Very high98.7Very high15 Ų1536.9 Ų36.98%0.07918%0.183CC..EExtended strand (participates in β ladder)trans-125156-169.1-56.1-177.8000110.2L53 L59 L88 F119 A163 I164 V165 D166L53-L55 HydrophobicContact CB-CD1 4.47Å; L53-L55 HydrophobicContact CB-CD2 4.05Å; L53-L55 HydrophobicContact CB-CG 4.07Å; L55-L59 HydrophobicContact CD1-CD1 4.28Å; L55-L88 HydrophobicContact CD1-CB 4.44Å; L55-L88 HydrophobicContact CD1-CD1 3.99Å; L55-L88 HydrophobicContact CD1-CD2 4.14Å; L55-L88 HydrophobicContact CD1-CG 4.42Å; L55-F119 HydrophobicContact CD1-CB 4.31Å; L55-F119 HydrophobicContact CD1-CD2 4Å; L55-F119 HydrophobicContact CD1-CG 4.05Å; L55-F119 HydrophobicContact CD2-CD1 3.71Å; L55-F119 HydrophobicContact CD2-CD2 3.84Å; L55-F119 HydrophobicContact CD2-CE1 3.5Å; L55-F119 VanDerWaalsContact CD2-CE1 3.5Å; L55-F119 HydrophobicContact CD2-CE2 3.64Å; L55-F119 HydrophobicContact CD2-CG 3.87Å; L55-F119 HydrophobicContact CD2-CZ 3.45Å; L55-F119 VanDerWaalsContact CD2-CZ 3.45Å; L55-A163 HydrophobicContact CD1-CB 3.78Å; L55-A163 HydrophobicContact CG-CB 4.27Å; L55-I164 PolarHBondContact N-O 3.31Å; L55-V165 HydrophobicContact CB-CG2 4.37Å; L55-V165 CarbonylContact O-C 3.54Å; L55-V165 WeakPolarHBondContact O-CA 3.15Å; L55-D166 PolarHBondContact O-N 2.69Å
56E98.4Very high98.6Very high154 Ų15436.6 Ų36.672%0.7218%0.182SC*.  trans-118145.1177.1-63.5176.417800109.6
57A98.2Very high98.6Very high17 Ų1736.6 Ų36.614%0.1418%0.182CC..SBendtrans-70.7156.2167.200000110.6L59 V165 D166 V285 D286A57-L59 HydrophobicContact CB-CD2 4.36Å; A57-V165 HydrophobicContact CB-CG1 4.48Å; A57-D166 WeakPolarHBondContact CB-OD2 3.39Å; A57-D166 PolarHBondContact N-OD2 3.23Å; A57-V285 HydrophobicContact CB-CG1 4.02Å; A57-D286 VanDerWaalsContact CB-O 3.23Å; A57-D286 WeakPolarHBondContact CB-O 3.36Å
58P98.3Very high98.6Very high59 Ų5934.9 Ų34.938%0.38317%0.172SC..SBendcis-80.8140.65.632.7-33.4000112.6N86 V285 E287P58-N86 WeakPolarHBondContact O-CB 3.36Å; P58-N86 PolarHBondContact O-ND2 3.1Å; P58-V285 CarbonylContact C-O 3.09Å; P58-V285 VanDerWaalsContact CA-O 3.22Å; P58-V285 WeakPolarHBondContact CA-O 3.47Å; P58-E287 HydrophobicContact CG-CG 4.29Å
59L98.3Very high98.6Very high7 Ų727.2 Ų27.24%0.03714%0.143CC..EExtended strand (participates in β ladder)trans-150.2160.917181.3159.9000113.2L55 A57 I61 N86 L88 V165 V285L55-L59 HydrophobicContact CD1-CD1 4.28Å; A57-L59 HydrophobicContact CB-CD2 4.36Å; L59-I61 HydrophobicContact CD1-CD1 4.47Å; L59-I61 HydrophobicContact CD1-CG1 4.05Å; L59-I61 HydrophobicContact CG-CG1 4.09Å; L59-N86 HydrophobicContact CB-CB 3.91Å; L59-L88 HydrophobicContact CD1-CB 3.58Å; L59-L88 HydrophobicContact CD1-CD2 4.3Å; L59-V165 HydrophobicContact CD1-CG2 4.13Å; L59-V165 HydrophobicContact CD2-CB 4.36Å; L59-V165 HydrophobicContact CD2-CG1 3.43Å; L59-V165 VanDerWaalsContact CD2-CG1 3.43Å; L59-V165 HydrophobicContact CD2-CG2 3.97Å; L59-V285 HydrophobicContact CD2-CB 4.08Å; L59-V285 HydrophobicContact CD2-CG2 4.46Å; L59-V285 PolarHBondContact N-O 3.46Å; L59-V285 PolarHBondContact O-N 3.11Å
60K98.8Very high98.5Very high32 Ų3227.6 Ų27.614%0.13914%0.144CC..EExtended strand (participates in β ladder)trans-108121.8174-68174.1-177.7-76.10109.8G79 A85 N86 Y87 L88 M282 M283 S284K60-G79 WeakPolarHBondContact CD-O 3.34Å; K60-G79 WeakPolarHBondContact CE-O 3.47Å; K60-A85 HydrophobicContact CD-CB 3.75Å; K60-N86 PolarHBondContact N-O 2.76Å; K60-Y87 HydrophobicContact CB-CD1 3.79Å; K60-Y87 HydrophobicContact CB-CE1 3.71Å; K60-Y87 HydrophobicContact CB-CG 4.48Å; K60-Y87 HydrophobicContact CD-CE1 4.06Å; K60-Y87 CarbonylContact O-C 3.58Å; K60-Y87 VanDerWaalsContact O-CA 3.32Å; K60-Y87 WeakPolarHBondContact O-CA 3.09Å; K60-L88 PolarHBondContact O-N 3.44Å; K60-M282 HydrophobicContact CB-SD 4.28Å; K60-M282 HydrophobicContact CD-SD 3.82Å; K60-M282 HydrophobicContact CG-SD 4.24Å; K60-M283 CarbonylContact C-O 3.3Å; K60-M283 WeakPolarHBondContact CA-O 3.5Å; K60-S284 PolarHBondContact NZ-OG 3.24Å
61I98.9Very high98.4Very high0 Ų025.1 Ų25.10%013%0.126CC..EExtended strand (participates in β ladder)trans-101.2127.7-180-47.6-175.1000109.3L59 L88 L90 V165 L266 M282 M283 V285L59-I61 HydrophobicContact CD1-CD1 4.47Å; L59-I61 HydrophobicContact CD1-CG1 4.05Å; L59-I61 HydrophobicContact CG-CG1 4.09Å; I61-L88 CarbonylContact C-O 3.17Å; I61-L88 VanDerWaalsContact CA-O 3.26Å; I61-L88 WeakPolarHBondContact CA-O 3.35Å; I61-L88 HydrophobicContact CD1-CD2 4.26Å; I61-L88 HydrophobicContact CG1-CB 4.36Å; I61-L88 HydrophobicContact CG1-CD2 4.36Å; I61-L88 HydrophobicContact CG2-CD2 4.23Å; I61-L88 HydrophobicContact CG2-CG 4.39Å; I61-L90 HydrophobicContact CG2-CD1 3.85Å; I61-L90 HydrophobicContact CG2-CD2 3.8Å; I61-L90 HydrophobicContact CG2-CG 3.75Å; I61-V165 HydrophobicContact CD1-CG2 4.33Å; I61-L266 HydrophobicContact CB-CD1 4.08Å; I61-L266 HydrophobicContact CG2-CD1 3.94Å; I61-L266 WeakPolarHBondContact O-CD1 3.43Å; I61-M282 CarbonylContact O-C 3.46Å; I61-M282 WeakPolarHBondContact O-CA 3.42Å; I61-M283 HydrophobicContact CD1-CE 3.75Å; I61-M283 HydrophobicContact CG1-CE 4.44Å; I61-M283 PolarHBondContact N-O 2.78Å; I61-M283 PolarHBondContact O-N 2.97Å; I61-V285 HydrophobicContact CD1-CG2 4.14Å; I61-V285 HydrophobicContact CG1-CG2 4.48Å
62C98.9Very high98.3Very high0 Ų024.7 Ų24.70%012%0.124CC..EExtended strand (participates in β ladder)trans-122.6140.4-178.2-56.20000110.4L75 L88 F89 L90C62-L75 HydrophobicContact CB-CD1 4.4Å; C62-L88 PolarHBondContact N-O 3.34Å; C62-F89 HydrophobicContact CB-CD1 3.58Å; C62-F89 HydrophobicContact CB-CE1 3.63Å; C62-F89 HydrophobicContact CB-CG 4.12Å; C62-F89 HydrophobicContact CB-CZ 4.2Å; C62-F89 CarbonylContact O-C 3.55Å; C62-F89 WeakPolarHBondContact O-CA 3.35Å; C62-L90 WeakPolarHBondContact O-CB 3.37Å; C62-L90 WeakPolarHBondContact O-CG 3.4Å; C62-L90 PolarHBondContact O-N 3.05Å
63G98.8Very high98.3Very high0 Ų024.9 Ų24.90%013%0.125CC..  trans-85.4-149.1173.100000112.6S268G63-S268 PolarHBondContact N-OG 2.94Å
64D98.8Very high98.1Very high2 Ų228 Ų281%0.01114%0.136CC..BIsolated β-bridgetrans-59.8142.2-175.5-53.720000112.4H66 D92 H173 A247 H248 F267 S268 A269D64-H66 IonicContact OD2-NE2 3.62Å; D64-D92 HydrophobicContact CB-CB 3.97Å; D64-H173 IonicContact OD1-CE1 3.05Å; D64-H173 PolarHBondContact OD1-CE1 2.9Å; D64-H173 VanDerWaalsContact OD1-CE1 3.29Å; D64-H173 IonicContact OD1-ND1 3.68Å; D64-H173 IonicContact OD2-CE1 3.35Å; D64-A247 WeakPolarHBondContact OD1-CB 3.29Å; D64-H248 PolarHBondContact OD1-N 3.38Å; D64-F267 HydrophobicContact CB-CD2 3.85Å; D64-F267 HydrophobicContact CB-CE2 3.53Å; D64-F267 HydrophobicContact CB-CZ 3.96Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.27Å; D64-S268 CarbonylContact O-C 3.47Å; D64-S268 VanDerWaalsContact O-C 3.28Å; D64-S268 WeakPolarHBondContact O-CA 3.38Å; D64-S268 WeakPolarHBondContact O-CB 3.25Å; D64-S268 PolarHBondContact O-N 3.31Å; D64-S268 VanDerWaalsContact O-N 3.15Å; D64-A269 PolarHBondContact O-N 3.22Å
65I98.7Very high98Very high3 Ų322 Ų222%0.01511%0.109CC..  trans-119.5-34.9178.4-56.2-63.6000111.8G67 Q68 L72 L75 F89 D92 T103I65-G67 PolarHBondContact O-N 2.81Å; I65-Q68 WeakPolarHBondContact O-CB 3.49Å; I65-Q68 PolarHBondContact O-N 3.36Å; I65-L72 HydrophobicContact CD1-CD1 4.17Å; I65-L72 HydrophobicContact CG1-CD1 4.46Å; I65-L72 HydrophobicContact CG2-CB 3.99Å; I65-L75 HydrophobicContact CD1-CD1 4.1Å; I65-F89 HydrophobicContact CD1-CD1 4.33Å; I65-F89 HydrophobicContact CD1-CE1 3.98Å; I65-F89 HydrophobicContact CG1-CD1 4.03Å; I65-F89 HydrophobicContact CG1-CE1 4.03Å; I65-D92 PolarHBondContact N-O 2.89Å; I65-T103 HydrophobicContact CB-CG2 4.31Å; I65-T103 HydrophobicContact CG2-CG2 3.65Å
66H98.5Very high98Very high4 Ų421.3 Ų21.32%0.01911%0.105CC..THydrogen-bonded Turntrans45.353.7173.4-80.3-56.7000114.5D64 Q68 D92 V94 D95 R96 G97 H125 Y272D64-H66 IonicContact OD2-NE2 3.62Å; H66-Q68 PolarHBondContact O-N 2.85Å; H66-D92 IonicContact CE1-OD2 3.88Å; H66-D92 PolarHBondContact CE1-OD2 3.32Å; H66-D92 VanDerWaalsContact CE1-OD2 3.31Å; H66-D92 PolarHBondContact N-O 3.22Å; H66-D92 IonicContact NE2-OD2 2.84Å; H66-D92 PolarHBondContact NE2-OD2 3.01Å; H66-V94 PolarHBondContact ND1-O 3.44Å; H66-D95 CarbonylContact C-O 3.58Å; H66-D95 WeakPolarHBondContact CA-O 3.22Å; H66-D95 VanDerWaalsContact O-O 3.09Å; H66-R96 HydrophobicContact CB-CB 4.28Å; H66-G97 WeakPolarHBondContact O-CA 3.49Å; H66-G97 PolarHBondContact O-N 3.47Å; H66-H125 AromaticContact CE1-CD2 3.56Å; H66-H125 AromaticContact CE1-CE1 3.89Å; H66-H125 AromaticContact CE1-CG 3.68Å; H66-H125 AromaticContact CE1-ND1 3.89Å; H66-H125 AromaticContact CE1-NE2 3.7Å; H66-Y272 HydrophobicContact CB-CE2 3.8Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.42Å; H66-Y272 AromaticContact CD2-CZ 3.58Å; H66-Y272 PolarHBondContact CD2-OH 2.73Å; H66-Y272 VanDerWaalsContact CD2-OH 3.27Å; H66-Y272 AromaticContact CG-CE2 3.72Å; H66-Y272 AromaticContact NE2-CE2 3.96Å; H66-Y272 AromaticContact NE2-CZ 3.82Å; H66-Y272 PolarHBondContact NE2-OH 3.29Å
67G98.2Very high97.9Very high1 Ų119.6 Ų19.61%0.0110%0.097CC..THydrogen-bonded Turntrans61.314.2176.800000115.8I65 Y69 Y93 Q99I65-G67 PolarHBondContact O-N 2.81Å; G67-Y69 PolarHBondContact O-N 3.42Å; G67-Y93 PolarHBondContact N-O 3.5Å; G67-Q99 CarbonylContact O-C 3.57Å; G67-Q99 PolarHBondContact O-N 3.29Å; G67-Q99 VanDerWaalsContact O-N 3.13Å
68Q97.7Very high97.8Very high28 Ų2825 Ų2513%0.13112%0.115CC..  trans-79.664.1171.5-63.7-165.4-178.300110.7I65 H66 Y70 D71 L72 A269 P270I65-Q68 WeakPolarHBondContact O-CB 3.49Å; I65-Q68 PolarHBondContact O-N 3.36Å; H66-Q68 PolarHBondContact O-N 2.85Å; Q68-Y70 VanDerWaalsContact C-N 3.31Å; Q68-Y70 PolarHBondContact O-N 2.99Å; Q68-D71 HydrophobicContact CB-CB 4.13Å; Q68-D71 PolarHBondContact NE2-OD2 3.05Å; Q68-D71 WeakPolarHBondContact O-CA 3.46Å; Q68-D71 PolarHBondContact O-N 3.25Å; Q68-L72 PolarHBondContact O-N 3.19Å; Q68-A269 HydrophobicContact CG-CB 4.37Å; Q68-P270 PolarHBondContact NE2-O 2.82Å
69Y98Very high97.7Very high1 Ų122.7 Ų22.70%0.00410%0.101CC..Hα-helixtrans-54.4-41.4-169.5-178.5-124.2000114.5L16 V19 V28 G67 D71 L72 L73 E102 T103 L106L16-Y69 WeakPolarHBondContact CB-OH 3.36Å; L16-Y69 PolarHBondContact O-OH 3.01Å; V19-Y69 HydrophobicContact CG2-CD1 4.42Å; V19-Y69 HydrophobicContact CG2-CE1 3.63Å; V28-Y69 HydrophobicContact CG2-CE1 4.41Å; G67-Y69 PolarHBondContact O-N 3.42Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3.34Å; Y69-L72 HydrophobicContact CD2-CD2 4.49Å; Y69-L72 WeakPolarHBondContact O-CB 3.46Å; Y69-L72 PolarHBondContact O-N 3.28Å; Y69-L73 HydrophobicContact CD1-CD1 4.22Å; Y69-L73 HydrophobicContact CE1-CD1 3.78Å; Y69-L73 HydrophobicContact CE1-CG 4.36Å; Y69-L73 HydrophobicContact CE2-CD2 4.23Å; Y69-L73 HydrophobicContact CE2-CG 4.29Å; Y69-L73 WeakPolarHBondContact O-CG 3.43Å; Y69-L73 PolarHBondContact O-N 3.18Å; Y69-E102 HydrophobicContact CD1-CB 3.57Å; Y69-E102 HydrophobicContact CD1-CG 4.09Å; Y69-E102 HydrophobicContact CD2-CB 3.66Å; Y69-E102 HydrophobicContact CE1-CB 3.72Å; Y69-E102 HydrophobicContact CE1-CG 4.07Å; Y69-E102 HydrophobicContact CE2-CB 3.82Å; Y69-E102 HydrophobicContact CG-CB 3.53Å; Y69-E102 HydrophobicContact CG-CG 4.5Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.36Å; Y69-L106 HydrophobicContact CE2-CB 4.08Å; Y69-L106 HydrophobicContact CE2-CD2 3.77Å
70Y96.8Very high97.7Very high27 Ų2723.3 Ų23.311%0.10611%0.11CC..Hα-helixtrans-68.4-29.9178.2-83.4-95.9000113.1V19 R23 P24 K26 Q68 L73 R74 Q99V19-Y70 WeakPolarHBondContact O-CE1 3.42Å; V19-Y70 PolarHBondContact O-OH 3.06Å; R23-Y70 PolarHBondContact O-OH 2.89Å; P24-Y70 HydrophobicContact CB-CD1 4.01Å; P24-Y70 HydrophobicContact CB-CD2 4.24Å; P24-Y70 HydrophobicContact CB-CE1 4.34Å; P24-Y70 HydrophobicContact CB-CG 3.94Å; P24-Y70 HydrophobicContact CG-CD1 4.03Å; P24-Y70 HydrophobicContact CG-CE1 4.37Å; P24-Y70 HydrophobicContact CG-CG 4.41Å; K26-Y70 WeakPolarHBondContact CB-OH 3.22Å; K26-Y70 PolarHBondContact N-OH 2.96Å; Q68-Y70 VanDerWaalsContact C-N 3.31Å; Q68-Y70 PolarHBondContact O-N 2.99Å; Y70-L73 PolarHBondContact O-N 3.31Å; Y70-R74 WeakPolarHBondContact O-CG 3.38Å; Y70-R74 PolarHBondContact O-N 3.22Å; Y70-R74 VanDerWaalsContact O-N 3.07Å; Y70-Q99 VanDerWaalsContact CD2-OE1 3.27Å; Y70-Q99 VanDerWaalsContact CE2-OE1 3.28Å
71D96.6Very high97.7Very high30 Ų3023.3 Ų23.316%0.1611%0.11CC..Hα-helixtrans-75-34.4173.7-63.1-52.9000111.2Q68 Y69 L73 R74 L75 P270 L296Q68-D71 HydrophobicContact CB-CB 4.13Å; Q68-D71 PolarHBondContact NE2-OD2 3.05Å; Q68-D71 WeakPolarHBondContact O-CA 3.46Å; Q68-D71 PolarHBondContact O-N 3.25Å; Y69-D71 VanDerWaalsContact C-N 3.3Å; Y69-D71 PolarHBondContact O-N 3.34Å; D71-L73 VanDerWaalsContact C-N 3.3Å; D71-L73 PolarHBondContact O-N 2.8Å; D71-R74 PolarHBondContact O-N 3.44Å; D71-R74 IonicContact OD1-CZ 2.82Å; D71-R74 IonicContact OD1-NH1 3.93Å; D71-R74 PolarHBondContact OD1-NH1 2.94Å; D71-L75 VanDerWaalsContact O-CB 3.27Å; D71-L75 WeakPolarHBondContact O-CB 3.26Å; D71-L75 PolarHBondContact O-N 3Å; D71-P270 HydrophobicContact CB-CG 4.01Å; D71-L296 HydrophobicContact CB-CD2 4.38Å
72L97.9Very high97.6Very high0 Ų023.8 Ų23.80%011%0.113CC..Hα-helixtrans-58.8-42.1168.7177.564.2000111.7I65 Q68 Y69 L75 F76 F89 T103 L106 L107I65-L72 HydrophobicContact CD1-CD1 4.17Å; I65-L72 HydrophobicContact CG1-CD1 4.46Å; I65-L72 HydrophobicContact CG2-CB 3.99Å; Q68-L72 PolarHBondContact O-N 3.19Å; Y69-L72 HydrophobicContact CD2-CD2 4.49Å; Y69-L72 WeakPolarHBondContact O-CB 3.46Å; Y69-L72 PolarHBondContact O-N 3.28Å; L72-L75 WeakPolarHBondContact O-CB 3.15Å; L72-L75 PolarHBondContact O-N 3.38Å; L72-F76 HydrophobicContact CD1-CD2 4.14Å; L72-F76 HydrophobicContact CD1-CE2 3.52Å; L72-F76 HydrophobicContact CD1-CZ 3.74Å; L72-F76 HydrophobicContact CD2-CE2 4.05Å; L72-F76 HydrophobicContact CG-CD2 4.06Å; L72-F76 HydrophobicContact CG-CE2 3.59Å; L72-F76 HydrophobicContact CG-CZ 4.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.5Å; L72-F76 PolarHBondContact O-N 3Å; L72-F89 HydrophobicContact CD1-CE1 3.66Å; L72-F89 HydrophobicContact CD1-CZ 3.79Å; L72-T103 HydrophobicContact CD2-CG2 4.08Å; L72-L106 HydrophobicContact CD2-CD2 4.36Å; L72-L107 HydrophobicContact CD1-CD2 4.2Å; L72-L107 HydrophobicContact CD2-CD2 3.94Å; L72-L107 HydrophobicContact CD2-CG 4.11Å
73L97.3Very high97.6Very high5 Ų527 Ų273%0.02613%0.134CC..Hα-helixtrans-64.3-40.9175.9-66.1176.3000112.1L17 V19 R20 Y69 Y70 D71 L75 F76 E77 L106L17-L73 HydrophobicContact CD2-CD2 3.67Å; V19-L73 HydrophobicContact CG2-CD1 4.24Å; R20-L73 HydrophobicContact CG-CB 4.2Å; R20-L73 HydrophobicContact CG-CD1 3.81Å; R20-L73 HydrophobicContact CG-CD2 4.04Å; R20-L73 HydrophobicContact CG-CG 4.23Å; Y69-L73 HydrophobicContact CD1-CD1 4.22Å; Y69-L73 HydrophobicContact CE1-CD1 3.78Å; Y69-L73 HydrophobicContact CE1-CG 4.36Å; Y69-L73 HydrophobicContact CE2-CD2 4.23Å; Y69-L73 HydrophobicContact CE2-CG 4.29Å; Y69-L73 WeakPolarHBondContact O-CG 3.43Å; Y69-L73 PolarHBondContact O-N 3.18Å; Y70-L73 PolarHBondContact O-N 3.31Å; D71-L73 VanDerWaalsContact C-N 3.3Å; D71-L73 PolarHBondContact O-N 2.8Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L73-F76 PolarHBondContact O-N 3.1Å; L73-E77 WeakPolarHBondContact O-CB 3.48Å; L73-E77 PolarHBondContact O-N 3.2Å; L73-L106 HydrophobicContact CD2-CD2 3.79Å
74R96.1Very high97.6Very high70 Ų7033.5 Ų33.526%0.26417%0.168SC..Hα-helixtrans-64.6-37.7174.1-71.1169.766.4-151.40.2111.8Y70 D71 E77 Y78 L296 K297Y70-R74 WeakPolarHBondContact O-CG 3.38Å; Y70-R74 PolarHBondContact O-N 3.22Å; Y70-R74 VanDerWaalsContact O-N 3.07Å; D71-R74 PolarHBondContact O-N 3.44Å; D71-R74 IonicContact OD1-CZ 2.82Å; D71-R74 IonicContact OD1-NH1 3.93Å; D71-R74 PolarHBondContact OD1-NH1 2.94Å; R74-E77 PolarHBondContact O-N 3.43Å; R74-Y78 WeakPolarHBondContact O-CB 3.32Å; R74-Y78 PolarHBondContact O-N 3.11Å; R74-L296 HydrophobicContact CB-CD1 4.1Å; R74-L296 HydrophobicContact CB-CD2 3.98Å; R74-K297 PolarHBondContact NH2-O 3.17Å
75L97.2Very high97.5Very high7 Ų734.1 Ų34.14%0.03717%0.174CC..Hα-helixtrans-60.4-49176.3-175.2156.5000110C62 I65 D71 L72 L73 E77 Y78 G79 Y87 F89 M282C62-L75 HydrophobicContact CB-CD1 4.4Å; I65-L75 HydrophobicContact CD1-CD1 4.1Å; D71-L75 VanDerWaalsContact O-CB 3.27Å; D71-L75 WeakPolarHBondContact O-CB 3.26Å; D71-L75 PolarHBondContact O-N 3Å; L72-L75 WeakPolarHBondContact O-CB 3.15Å; L72-L75 PolarHBondContact O-N 3.38Å; L73-L75 VanDerWaalsContact C-N 3.32Å; L75-E77 PolarHBondContact O-N 3.02Å; L75-Y78 PolarHBondContact O-N 3.11Å; L75-G79 PolarHBondContact O-N 2.92Å; L75-Y87 HydrophobicContact CD2-CE1 4.1Å; L75-F89 HydrophobicContact CD2-CZ 4.41Å; L75-M282 HydrophobicContact CB-CE 4.33Å; L75-M282 HydrophobicContact CD1-CE 4.3Å; L75-M282 HydrophobicContact CD2-CE 3.24Å; L75-M282 HydrophobicContact CG-CE 3.3Å; L75-M282 VanDerWaalsContact O-CE 3.24Å; L75-M282 WeakPolarHBondContact O-CE 3.48Å
76F97.9Very high97.5Very high0 Ų035.9 Ų35.90%018%0.183CC..Hα-helixtrans-66.2-35174.5-69.2-47.5000113.7L72 L73 Y78 G80 F81 P82 Y87 F89 L106 L107 Y110 F118L72-F76 HydrophobicContact CD1-CD2 4.14Å; L72-F76 HydrophobicContact CD1-CE2 3.52Å; L72-F76 HydrophobicContact CD1-CZ 3.74Å; L72-F76 HydrophobicContact CD2-CE2 4.05Å; L72-F76 HydrophobicContact CG-CD2 4.06Å; L72-F76 HydrophobicContact CG-CE2 3.59Å; L72-F76 HydrophobicContact CG-CZ 4.31Å; L72-F76 WeakPolarHBondContact O-CD2 3.5Å; L72-F76 PolarHBondContact O-N 3Å; L73-F76 PolarHBondContact O-N 3.1Å; F76-Y78 VanDerWaalsContact C-N 3.25Å; F76-Y78 PolarHBondContact O-N 2.73Å; F76-G80 CarbonylContact O-C 3.28Å; F76-G80 VanDerWaalsContact O-CA 3.24Å; F76-G80 WeakPolarHBondContact O-CA 3.31Å; F76-G80 PolarHBondContact O-N 3.05Å; F76-F81 HydrophobicContact CB-CD1 3.55Å; F76-F81 HydrophobicContact CB-CD2 4.38Å; F76-F81 HydrophobicContact CB-CE1 3.42Å; F76-F81 VanDerWaalsContact CB-CE1 3.42Å; F76-F81 HydrophobicContact CB-CE2 4.27Å; F76-F81 HydrophobicContact CB-CG 4.04Å; F76-F81 HydrophobicContact CB-CZ 3.79Å; F76-F81 HydrophobicContact CD2-CD1 4.46Å; F76-F81 HydrophobicContact CD2-CE1 4.32Å; F76-F81 HydrophobicContact CG-CD1 4.2Å; F76-F81 HydrophobicContact CG-CE1 4.24Å; F76-F81 PolarHBondContact O-N 3.26Å; F76-P82 HydrophobicContact CE1-CG 4.23Å; F76-Y87 HydrophobicContact CD1-CE1 4.08Å; F76-Y87 AromaticContact CD1-CE2 3.99Å; F76-Y87 HydrophobicContact CD1-CE2 3.99Å; F76-Y87 AromaticContact CD1-CZ 3.7Å; F76-Y87 HydrophobicContact CE1-CD1 4.2Å; F76-Y87 HydrophobicContact CE1-CD2 4.23Å; F76-Y87 HydrophobicContact CE1-CE1 4.05Å; F76-Y87 HydrophobicContact CE1-CE2 4.07Å; F76-Y87 HydrophobicContact CE1-CG 4.29Å; F76-Y87 AromaticContact CE1-CZ 3.98Å; F76-F89 HydrophobicContact CE1-CE2 4.06Å; F76-F89 AromaticContact CE1-CZ 3.75Å; F76-F89 HydrophobicContact CE1-CZ 3.75Å; F76-F89 HydrophobicContact CZ-CE2 4.08Å; F76-F89 AromaticContact CZ-CZ 3.67Å; F76-F89 HydrophobicContact CZ-CZ 3.67Å; F76-L106 HydrophobicContact CD2-CD2 4.36Å; F76-L106 HydrophobicContact CE2-CD2 4.03Å; F76-L107 HydrophobicContact CZ-CD2 4.18Å; F76-Y110 HydrophobicContact CD2-CE2 4.28Å; F76-Y110 HydrophobicContact CE2-CD2 4.23Å; F76-Y110 AromaticContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CZ-CD2 4.18Å; F76-Y110 HydrophobicContact CZ-CE2 4.15Å; F76-F118 AromaticContact CE1-CE2 3.97Å; F76-F118 HydrophobicContact CE1-CE2 3.97Å; F76-F118 HydrophobicContact CE1-CZ 4.44Å; F76-F118 AromaticContact CZ-CE2 3.95Å; F76-F118 HydrophobicContact CZ-CE2 3.95Å; F76-F118 AromaticContact CZ-CZ 4Å; F76-F118 HydrophobicContact CZ-CZ 4Å
77E96.1Very high97.5Very high119 Ų11935.7 Ų35.756%0.55618%0.182SC*.Hα-helixtrans-63.6-34174.7-177.2162.7-118.200112.4R20 L73 R74 L75 F81R20-E77 IonicContact CZ-OE1 2.75Å; R20-E77 IonicContact NH2-OE1 2.95Å; R20-E77 PolarHBondContact NH2-OE1 3.15Å; L73-E77 WeakPolarHBondContact O-CB 3.48Å; L73-E77 PolarHBondContact O-N 3.2Å; R74-E77 PolarHBondContact O-N 3.43Å; L75-E77 PolarHBondContact O-N 3.02Å; E77-F81 HydrophobicContact CB-CE2 4.02Å; E77-F81 HydrophobicContact CB-CZ 4.28Å
78Y95.7Very high97.6Very high130 Ų13035.6 Ų35.651%0.5118%0.182SC..Hα-helixtrans-84.6-35.1178.7-166.4-141000113.6R74 L75 F76 Q294R74-Y78 WeakPolarHBondContact O-CB 3.32Å; R74-Y78 PolarHBondContact O-N 3.11Å; L75-Y78 PolarHBondContact O-N 3.11Å; F76-Y78 VanDerWaalsContact C-N 3.25Å; F76-Y78 PolarHBondContact O-N 2.73Å; Y78-Q294 HydrophobicContact CD1-CB 3.94Å; Y78-Q294 HydrophobicContact CE1-CB 3.59Å; Y78-Q294 HydrophobicContact CE1-CG 4.2Å; Y78-Q294 PolarHBondContact O-NE2 3.48Å
79G96.9Very high97.6Very high10 Ų1034.3 Ų34.310%0.10318%0.176CC..Hα-helixtrans-89.7-12.8179.700000115K60 L75 Y87K60-G79 WeakPolarHBondContact CD-O 3.34Å; K60-G79 WeakPolarHBondContact CE-O 3.47Å; L75-G79 PolarHBondContact O-N 2.92Å; G79-Y87 WeakPolarHBondContact CA-OH 3.5Å; G79-Y87 PolarHBondContact O-OH 3.08Å
80G97.9Very high97.7Very high21 Ų2134.2 Ų34.222%0.21618%0.176CC..  trans92.3132.3-168.900000111.5F76 Y87F76-G80 CarbonylContact O-C 3.28Å; F76-G80 VanDerWaalsContact O-CA 3.24Å; F76-G80 WeakPolarHBondContact O-CA 3.31Å; F76-G80 PolarHBondContact O-N 3.05Å; G80-Y87 VanDerWaalsContact O-CE2 3.27Å; G80-Y87 WeakPolarHBondContact O-CE2 3.34Å; G80-Y87 PolarHBondContact O-OH 3.36Å
81F98.2Very high97.8Very high32 Ų3233 Ų3314%0.1417%0.171CC..  trans-73.6143.9179.3-76.1-91000110.2L17 R20 F76 E77 D84 Y110L17-F81 HydrophobicContact CD1-CD1 4.45Å; L17-F81 HydrophobicContact CD2-CD1 4.17Å; L17-F81 HydrophobicContact CD2-CE1 3.72Å; R20-F81 VanDerWaalsContact NH1-CE2 3.28Å; F76-F81 HydrophobicContact CB-CD1 3.55Å; F76-F81 HydrophobicContact CB-CD2 4.38Å; F76-F81 HydrophobicContact CB-CE1 3.42Å; F76-F81 VanDerWaalsContact CB-CE1 3.42Å; F76-F81 HydrophobicContact CB-CE2 4.27Å; F76-F81 HydrophobicContact CB-CG 4.04Å; F76-F81 HydrophobicContact CB-CZ 3.79Å; F76-F81 HydrophobicContact CD2-CD1 4.46Å; F76-F81 HydrophobicContact CD2-CE1 4.32Å; F76-F81 HydrophobicContact CG-CD1 4.2Å; F76-F81 HydrophobicContact CG-CE1 4.24Å; F76-F81 PolarHBondContact O-N 3.26Å; E77-F81 HydrophobicContact CB-CE2 4.02Å; E77-F81 HydrophobicContact CB-CZ 4.28Å; F81-D84 WeakPolarHBondContact O-CA 3.15Å; F81-D84 WeakPolarHBondContact O-CB 3.46Å; F81-D84 PolarHBondContact O-N 3Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.35Å
82P98.3Very high97.9Very high9 Ų931.6 Ų31.66%0.05816%0.163CC..THydrogen-bonded Turntrans-54.8133.3171.7-25.233.7000111.4F76 Y87 Y110 Y114 F118F76-P82 HydrophobicContact CE1-CG 4.23Å; P82-Y87 HydrophobicContact CG-CD2 3.93Å; P82-Y87 HydrophobicContact CG-CE2 4.08Å; P82-Y110 HydrophobicContact CB-CD1 3.92Å; P82-Y110 HydrophobicContact CB-CE1 4.07Å; P82-Y110 HydrophobicContact CB-CG 4.27Å; P82-Y110 HydrophobicContact CG-CD1 4.12Å; P82-Y110 HydrophobicContact CG-CD2 4.05Å; P82-Y110 HydrophobicContact CG-CE1 4.21Å; P82-Y110 HydrophobicContact CG-CE2 4.12Å; P82-Y110 HydrophobicContact CG-CG 4.05Å; P82-Y114 HydrophobicContact CB-CD2 3.68Å; P82-Y114 HydrophobicContact CB-CE2 3.84Å; P82-Y114 WeakPolarHBondContact O-CE2 3.41Å; P82-F118 HydrophobicContact CB-CD2 4.23Å; P82-F118 HydrophobicContact CG-CD2 3.65Å; P82-F118 HydrophobicContact CG-CE2 3.66Å
83P97.9Very high97.9Very high68 Ų6831.6 Ų31.644%0.44216%0.163SC..THydrogen-bonded Turncis-97.814.311.139.1-31.8000114.8A85 Y114P83-A85 PolarHBondContact O-N 2.94Å; P83-A85 VanDerWaalsContact O-N 3.12Å; P83-Y114 HydrophobicContact CB-CD1 3.88Å; P83-Y114 HydrophobicContact CB-CE1 3.74Å; P83-Y114 HydrophobicContact CB-CG 4.36Å; P83-Y114 HydrophobicContact CG-CD1 4.37Å; P83-Y114 HydrophobicContact CG-CE1 3.73Å
84D98Very high98Very high136 Ų13631.4 Ų31.473%0.72716%0.162SC*.SBendtrans-61.7-21.5-178.7-58.6-22.1000112.7F81F81-D84 WeakPolarHBondContact O-CA 3.15Å; F81-D84 WeakPolarHBondContact O-CB 3.46Å; F81-D84 PolarHBondContact O-N 3Å
85A98.1Very high98.1Very high16 Ų1628 Ų2813%0.13215%0.15CC..SBendtrans-141.2148.3168.200000111K60 P83 Y87K60-A85 HydrophobicContact CD-CB 3.75Å; P83-A85 PolarHBondContact O-N 2.94Å; P83-A85 VanDerWaalsContact O-N 3.12Å; A85-Y87 HydrophobicContact CB-CD2 4.48Å; A85-Y87 HydrophobicContact CB-CE2 3.83Å; A85-Y87 VanDerWaalsContact O-CD2 3.26Å; A85-Y87 WeakPolarHBondContact O-CD2 3.37Å
86N98.7Very high98Very high39 Ų3929.4 Ų29.421%0.20915%0.154CC..  trans-78.2143.7170.1-58.8-36.9000110P58 L59 K60 N117P58-N86 WeakPolarHBondContact O-CB 3.36Å; P58-N86 PolarHBondContact O-ND2 3.1Å; L59-N86 HydrophobicContact CB-CB 3.91Å; K60-N86 PolarHBondContact N-O 2.76Å; N86-N117 CarbonylContact C-O 3.6Å; N86-N117 VanDerWaalsContact CA-O 3.24Å; N86-N117 WeakPolarHBondContact CA-O 3.3Å; N86-N117 VanDerWaalsContact OD1-CB 3.28Å; N86-N117 WeakPolarHBondContact OD1-CB 3.43Å; N86-N117 PolarHBondContact OD1-ND2 3.12Å
87Y98.9Very high97.9Very high0 Ų030.5 Ų30.50%017%0.165CC..EExtended strand (participates in β ladder)trans-130.2140.4-178.5-75.8-90000113.2K60 L75 F76 G79 G80 P82 A85 F89 N117 F118 F119 M282K60-Y87 HydrophobicContact CB-CD1 3.79Å; K60-Y87 HydrophobicContact CB-CE1 3.71Å; K60-Y87 HydrophobicContact CB-CG 4.48Å; K60-Y87 HydrophobicContact CD-CE1 4.06Å; K60-Y87 CarbonylContact O-C 3.58Å; K60-Y87 VanDerWaalsContact O-CA 3.32Å; K60-Y87 WeakPolarHBondContact O-CA 3.09Å; L75-Y87 HydrophobicContact CD2-CE1 4.1Å; F76-Y87 HydrophobicContact CD1-CE1 4.08Å; F76-Y87 AromaticContact CD1-CE2 3.99Å; F76-Y87 HydrophobicContact CD1-CE2 3.99Å; F76-Y87 AromaticContact CD1-CZ 3.7Å; F76-Y87 HydrophobicContact CE1-CD1 4.2Å; F76-Y87 HydrophobicContact CE1-CD2 4.23Å; F76-Y87 HydrophobicContact CE1-CE1 4.05Å; F76-Y87 HydrophobicContact CE1-CE2 4.07Å; F76-Y87 HydrophobicContact CE1-CG 4.29Å; F76-Y87 AromaticContact CE1-CZ 3.98Å; G79-Y87 WeakPolarHBondContact CA-OH 3.5Å; G79-Y87 PolarHBondContact O-OH 3.08Å; G80-Y87 VanDerWaalsContact O-CE2 3.27Å; G80-Y87 WeakPolarHBondContact O-CE2 3.34Å; G80-Y87 PolarHBondContact O-OH 3.36Å; P82-Y87 HydrophobicContact CG-CD2 3.93Å; P82-Y87 HydrophobicContact CG-CE2 4.08Å; A85-Y87 HydrophobicContact CB-CD2 4.48Å; A85-Y87 HydrophobicContact CB-CE2 3.83Å; A85-Y87 VanDerWaalsContact O-CD2 3.26Å; A85-Y87 WeakPolarHBondContact O-CD2 3.37Å; Y87-F89 AromaticContact CD1-CE2 3.92Å; Y87-F89 HydrophobicContact CD1-CE2 3.92Å; Y87-F89 HydrophobicContact CD1-CZ 4.25Å; Y87-F89 HydrophobicContact CG-CE2 4.08Å; Y87-N117 PolarHBondContact N-O 3.41Å; Y87-F118 HydrophobicContact CD2-CD2 4.25Å; Y87-F118 HydrophobicContact CD2-CE2 4.19Å; Y87-F118 HydrophobicContact CG-CD2 4.34Å; Y87-F118 HydrophobicContact CG-CE2 4.11Å; Y87-F119 PolarHBondContact O-N 3.14Å; Y87-M282 HydrophobicContact CE1-CE 4.44Å
88L98.9Very high97.8Very high0 Ų033.4 Ų33.40%018%0.176CC..EExtended strand (participates in β ladder)trans-121.4120.2162.717466.7000108.6L55 L59 K60 I61 C62 L90 F119 L121 A163 C171L55-L88 HydrophobicContact CD1-CB 4.44Å; L55-L88 HydrophobicContact CD1-CD1 3.99Å; L55-L88 HydrophobicContact CD1-CD2 4.14Å; L55-L88 HydrophobicContact CD1-CG 4.42Å; L59-L88 HydrophobicContact CD1-CB 3.58Å; L59-L88 HydrophobicContact CD1-CD2 4.3Å; K60-L88 PolarHBondContact O-N 3.44Å; I61-L88 CarbonylContact C-O 3.17Å; I61-L88 VanDerWaalsContact CA-O 3.26Å; I61-L88 WeakPolarHBondContact CA-O 3.35Å; I61-L88 HydrophobicContact CD1-CD2 4.26Å; I61-L88 HydrophobicContact CG1-CB 4.36Å; I61-L88 HydrophobicContact CG1-CD2 4.36Å; I61-L88 HydrophobicContact CG2-CD2 4.23Å; I61-L88 HydrophobicContact CG2-CG 4.39Å; C62-L88 PolarHBondContact N-O 3.34Å; L88-L90 HydrophobicContact CD2-CD2 4.27Å; L88-L90 HydrophobicContact CG-CD2 4.39Å; L88-F119 CarbonylContact C-O 3.59Å; L88-F119 WeakPolarHBondContact CA-O 3.28Å; L88-F119 HydrophobicContact CD1-CB 3.72Å; L88-L121 HydrophobicContact CD1-CD1 4.23Å; L88-L121 HydrophobicContact CD1-CD2 4.04Å; L88-L121 HydrophobicContact CD1-CG 3.77Å; L88-A163 HydrophobicContact CD1-CB 4.09Å; L88-A163 HydrophobicContact CD2-CB 3.85Å; L88-C171 HydrophobicContact CD2-CB 3.77Å
89F98.9Very high97.9Very high0 Ų027.7 Ų27.70%015%0.154CC..EExtended strand (participates in β ladder)trans-102136.4170.3-69.3-107.4000111C62 I65 L72 L75 F76 Y87 G91 Y93 L107 F118 F119 L120 L121C62-F89 HydrophobicContact CB-CD1 3.58Å; C62-F89 HydrophobicContact CB-CE1 3.63Å; C62-F89 HydrophobicContact CB-CG 4.12Å; C62-F89 HydrophobicContact CB-CZ 4.2Å; C62-F89 CarbonylContact O-C 3.55Å; C62-F89 WeakPolarHBondContact O-CA 3.35Å; I65-F89 HydrophobicContact CD1-CD1 4.33Å; I65-F89 HydrophobicContact CD1-CE1 3.98Å; I65-F89 HydrophobicContact CG1-CD1 4.03Å; I65-F89 HydrophobicContact CG1-CE1 4.03Å; L72-F89 HydrophobicContact CD1-CE1 3.66Å; L72-F89 HydrophobicContact CD1-CZ 3.79Å; L75-F89 HydrophobicContact CD2-CZ 4.41Å; F76-F89 HydrophobicContact CE1-CE2 4.06Å; F76-F89 AromaticContact CE1-CZ 3.75Å; F76-F89 HydrophobicContact CE1-CZ 3.75Å; F76-F89 HydrophobicContact CZ-CE2 4.08Å; F76-F89 AromaticContact CZ-CZ 3.67Å; F76-F89 HydrophobicContact CZ-CZ 3.67Å; Y87-F89 AromaticContact CD1-CE2 3.92Å; Y87-F89 HydrophobicContact CD1-CE2 3.92Å; Y87-F89 HydrophobicContact CD1-CZ 4.25Å; Y87-F89 HydrophobicContact CG-CE2 4.08Å; F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 3.5Å; F89-Y93 HydrophobicContact CB-CE1 3.65Å; F89-Y93 HydrophobicContact CG-CE1 4.41Å; F89-Y93 PolarHBondContact O-OH 3.06Å; F89-L107 HydrophobicContact CD1-CD2 4.39Å; F89-L107 HydrophobicContact CD2-CD2 4.28Å; F89-L107 HydrophobicContact CE1-CD2 4.1Å; F89-L107 HydrophobicContact CE2-CD2 3.98Å; F89-L107 HydrophobicContact CG-CD2 4.49Å; F89-L107 HydrophobicContact CZ-CD2 3.89Å; F89-F118 HydrophobicContact CD2-CE1 4.46Å; F89-F118 HydrophobicContact CD2-CE2 4.43Å; F89-F118 AromaticContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CE2-CE1 4.41Å; F89-F118 AromaticContact CE2-CE2 3.76Å; F89-F118 HydrophobicContact CE2-CE2 3.76Å; F89-F118 AromaticContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CE2-CZ 3.5Å; F89-F118 VanDerWaalsContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CZ-CZ 4.39Å; F89-F119 PolarHBondContact N-O 3.49Å; F89-L120 HydrophobicContact CB-CD2 3.77Å; F89-L120 HydrophobicContact CD2-CD2 3.85Å; F89-L120 HydrophobicContact CG-CD2 3.99Å; F89-L121 WeakPolarHBondContact O-CB 3.1Å; F89-L121 PolarHBondContact O-N 3.43Å
90L98.9Very high98Very high0 Ų027.2 Ų27.20%015%0.149CC..  trans-86.87-173-59.7177.7000114.4I61 C62 L88 L121 C171 H173 A247 L266I61-L90 HydrophobicContact CG2-CD1 3.85Å; I61-L90 HydrophobicContact CG2-CD2 3.8Å; I61-L90 HydrophobicContact CG2-CG 3.75Å; C62-L90 WeakPolarHBondContact O-CB 3.37Å; C62-L90 WeakPolarHBondContact O-CG 3.4Å; C62-L90 PolarHBondContact O-N 3.05Å; L88-L90 HydrophobicContact CD2-CD2 4.27Å; L88-L90 HydrophobicContact CG-CD2 4.39Å; L90-L121 HydrophobicContact CD2-CD1 3.88Å; L90-C171 HydrophobicContact CD2-CB 3.9Å; L90-H173 WeakPolarHBondContact O-CA 3.49Å; L90-H173 WeakPolarHBondContact O-CB 3.23Å; L90-H173 PolarHBondContact O-ND1 3.03Å; L90-A247 HydrophobicContact CB-CB 3.76Å; L90-A247 HydrophobicContact CD1-CB 3.94Å; L90-L266 HydrophobicContact CD1-CB 4.48Å; L90-L266 HydrophobicContact CD1-CD1 4.33Å
91G98.8Very high98Very high0 Ų026.4 Ų26.40%014%0.14CC..SBendtrans111.9-170.7177.400000113.5F89F89-G91 VanDerWaalsContact C-N 3.33Å; F89-G91 PolarHBondContact O-N 3.5Å
92D98.8Very high98.1Very high2 Ų225 Ų251%0.01113%0.134CC..  trans56.661.5177.5-80.918000112.7D64 I65 H66 G123 N124 H125 E126 H173D64-D92 HydrophobicContact CB-CB 3.97Å; I65-D92 PolarHBondContact N-O 2.89Å; H66-D92 IonicContact CE1-OD2 3.88Å; H66-D92 PolarHBondContact CE1-OD2 3.32Å; H66-D92 VanDerWaalsContact CE1-OD2 3.31Å; H66-D92 PolarHBondContact N-O 3.22Å; H66-D92 IonicContact NE2-OD2 2.84Å; H66-D92 PolarHBondContact NE2-OD2 3.01Å; D92-G123 WeakPolarHBondContact OD1-CA 3.11Å; D92-N124 PolarHBondContact OD1-N 3.4Å; D92-N124 PolarHBondContact OD1-OD1 2.77Å; D92-N124 PolarHBondContact OD2-OD1 3.05Å; D92-H125 WeakPolarHBondContact OD1-CB 3.09Å; D92-H125 IonicContact OD1-CD2 3.32Å; D92-H125 IonicContact OD1-CG 2.78Å; D92-H125 PolarHBondContact OD1-N 2.96Å; D92-H125 IonicContact OD2-CD2 3.34Å; D92-H125 PolarHBondContact OD2-CD2 3.28Å; D92-H125 IonicContact OD2-CG 2.97Å; D92-H125 IonicContact OD2-NE2 3.43Å; D92-E126 PolarHBondContact N-OE2 2.87Å; D92-H173 VanDerWaalsContact CG-NE2 3.34Å; D92-H173 IonicContact OD1-CE1 2.7Å; D92-H173 IonicContact OD1-NE2 2.73Å; D92-H173 PolarHBondContact OD1-NE2 2.9Å; D92-H173 IonicContact OD2-CE1 3.66Å; D92-H173 PolarHBondContact OD2-CE1 2.96Å; D92-H173 IonicContact OD2-NE2 3.97Å; D92-H173 PolarHBondContact OD2-NE2 2.77Å
93Y98.9Very high98.1Very high0 Ų024.6 Ų24.60%013%0.131CC..  trans-85.2-34.4-178.8-48.5-44.6000112G67 F89 T103 I104 L107 L120 L121 E126 L159G67-Y93 PolarHBondContact N-O 3.5Å; F89-Y93 HydrophobicContact CB-CE1 3.65Å; F89-Y93 HydrophobicContact CG-CE1 4.41Å; F89-Y93 PolarHBondContact O-OH 3.06Å; Y93-T103 VanDerWaalsContact O-CG2 3.3Å; Y93-T103 WeakPolarHBondContact O-CG2 3.36Å; Y93-I104 HydrophobicContact CD2-CD1 3.63Å; Y93-I104 HydrophobicContact CE2-CD1 4.48Å; Y93-I104 HydrophobicContact CG-CD1 4.06Å; Y93-L107 HydrophobicContact CD1-CD1 3.48Å; Y93-L107 VanDerWaalsContact CD1-CD1 3.48Å; Y93-L107 HydrophobicContact CD2-CD1 4.49Å; Y93-L107 HydrophobicContact CE1-CD1 4.04Å; Y93-L107 HydrophobicContact CG-CD1 3.74Å; Y93-L120 HydrophobicContact CE1-CD2 4.2Å; Y93-L120 HydrophobicContact CE2-CB 4.28Å; Y93-L120 WeakPolarHBondContact OH-CA 3.41Å; Y93-L120 VanDerWaalsContact OH-CB 3.25Å; Y93-L120 WeakPolarHBondContact OH-CB 3.47Å; Y93-L121 WeakPolarHBondContact CE2-O 3.43Å; Y93-L121 VanDerWaalsContact CZ-O 3.32Å; Y93-L121 PolarHBondContact OH-N 3.27Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 3.12Å; Y93-E126 HydrophobicContact CD2-CG 3.84Å; Y93-E126 HydrophobicContact CE2-CG 4.26Å; Y93-E126 PolarHBondContact N-OE1 3.5Å; Y93-L159 HydrophobicContact CE2-CD1 4.3Å
94V98.8Very high98.1Very high0 Ų021.4 Ų21.40%011%0.11CC..SBendtrans-108.6179.7-172.2-57.70000112H66 I104 H125 E126 N131 F136 F156H66-V94 PolarHBondContact ND1-O 3.44Å; V94-I104 HydrophobicContact CG1-CB 4.11Å; V94-I104 HydrophobicContact CG1-CG2 4.36Å; V94-H125 HydrophobicContact CG2-CB 4.45Å; V94-E126 PolarHBondContact N-OE1 2.76Å; V94-N131 HydrophobicContact CG2-CB 4.13Å; V94-F136 HydrophobicContact CB-CB 3.98Å; V94-F136 HydrophobicContact CB-CD1 4.22Å; V94-F136 HydrophobicContact CB-CD2 3.85Å; V94-F136 HydrophobicContact CB-CE2 4.35Å; V94-F136 HydrophobicContact CB-CG 3.76Å; V94-F136 HydrophobicContact CG1-CD1 4.21Å; V94-F136 HydrophobicContact CG1-CD2 3.79Å; V94-F136 HydrophobicContact CG1-CE1 4.21Å; V94-F136 HydrophobicContact CG1-CE2 3.77Å; V94-F136 HydrophobicContact CG1-CG 4.01Å; V94-F136 HydrophobicContact CG1-CZ 3.98Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.13Å; V94-F136 HydrophobicContact CG2-CG 4.04Å; V94-F156 HydrophobicContact CG1-CE2 4.47Å; V94-F156 HydrophobicContact CG1-CZ 3.96Å; V94-F156 HydrophobicContact CG2-CE2 4.32Å
95D98.4Very high98.2Very high0 Ų015 Ų150%08%0.076CC..SBendtrans65.7167.1-176.7-63.9-35.1000115.3H66 G97 S100 H125 N131 Y134 G135 F136H66-D95 CarbonylContact C-O 3.58Å; H66-D95 WeakPolarHBondContact CA-O 3.22Å; H66-D95 VanDerWaalsContact O-O 3.09Å; D95-G97 PolarHBondContact O-N 2.94Å; D95-S100 PolarHBondContact N-OG 3.31Å; D95-H125 VanDerWaalsContact CB-ND1 3.35Å; D95-H125 WeakPolarHBondContact CB-ND1 3.41Å; D95-H125 IonicContact OD2-CE1 2.77Å; D95-H125 IonicContact OD2-CG 3.73Å; D95-H125 IonicContact OD2-ND1 3.54Å; D95-H125 PolarHBondContact OD2-ND1 3.41Å; D95-N131 WeakPolarHBondContact OD1-CA 3.49Å; D95-N131 WeakPolarHBondContact OD1-CB 3.25Å; D95-N131 WeakPolarHBondContact OD2-CA 3.42Å; D95-N131 WeakPolarHBondContact OD2-CB 3.41Å; D95-Y134 WeakPolarHBondContact CB-O 3.43Å; D95-Y134 VanDerWaalsContact OD1-C 3.28Å; D95-G135 PolarHBondContact OD1-N 2.83Å; D95-F136 WeakPolarHBondContact OD1-CB 3.17Å; D95-F136 PolarHBondContact OD1-N 3.02Å
96R95.4Very high98.2Very high35 Ų3514.2 Ų14.213%0.1327%0.07CC..SBendtrans65.8-51.1172.6-51.4-70.8-164.2149.1-0.4115.1H66 Y134 Y272 P314H66-R96 HydrophobicContact CB-CB 4.28Å; R96-Y134 VanDerWaalsContact CZ-CD1 3.44Å; R96-Y134 PolarHBondContact N-O 3.41Å; R96-Y272 HydrophobicContact CB-CE2 4.33Å; R96-Y272 WeakPolarHBondContact CG-OH 3.35Å; R96-P314 PolarHBondContact NH1-O 2.86Å
97G94.9Very high98.2Very high23 Ų2312.4 Ų12.424%0.2376%0.06CC..SBendtrans-75.2-175.5173.900000113.6H66 D95H66-G97 WeakPolarHBondContact O-CA 3.49Å; H66-G97 PolarHBondContact O-N 3.47Å; D95-G97 PolarHBondContact O-N 2.94Å
98K94.8Very high98.2Very high180 Ų18012.4 Ų12.478%0.7836%0.06SC*.SBendtrans-99.1-17.2-167.8-66.3177.7-179.5173.10114.4
99Q97.8Very high98.2Very high11 Ų1112.4 Ų12.45%0.0516%0.06CC..  trans-138.449.3-168.2-63.3-171.1-95.500110.7G25 K26 N27 G67 Y70 L101 E102 T103G25-Q99 VanDerWaalsContact CA-OE1 3.29Å; K26-Q99 PolarHBondContact O-NE2 2.89Å; N27-Q99 PolarHBondContact OD1-NE2 3.33Å; G67-Q99 CarbonylContact O-C 3.57Å; G67-Q99 PolarHBondContact O-N 3.29Å; G67-Q99 VanDerWaalsContact O-N 3.13Å; Y70-Q99 VanDerWaalsContact CD2-OE1 3.27Å; Y70-Q99 VanDerWaalsContact CE2-OE1 3.28Å; Q99-L101 PolarHBondContact O-N 2.92Å; Q99-E102 HydrophobicContact CB-CB 4.42Å; Q99-E102 PolarHBondContact O-N 2.89Å; Q99-T103 PolarHBondContact O-N 2.81Å; Q99-T103 VanDerWaalsContact O-N 3.11Å; Q99-T103 PolarHBondContact O-OG1 2.91Å
100S98.7Very high98.2Very high0 Ų012.6 Ų12.60%06%0.061CC..Hα-helixtrans-62-33.3179.1-60.80000111.7D95 T103 I104 E139D95-S100 PolarHBondContact N-OG 3.31Å; S100-T103 PolarHBondContact O-N 3.22Å; S100-I104 VanDerWaalsContact O-CG2 3.28Å; S100-I104 WeakPolarHBondContact O-CG2 3.35Å; S100-I104 PolarHBondContact O-N 2.86Å; S100-E139 VanDerWaalsContact CB-OE2 3.26Å; S100-E139 WeakPolarHBondContact CB-OE2 3.08Å; S100-E139 PolarHBondContact N-OE2 2.88Å
101L98.7Very high98.2Very high3 Ų312.7 Ų12.72%0.0166%0.061CC..Hα-helixtrans-64-47.8177-76.8163.6000112.4Q99 C105 F136 E139 R143 Y144 F152Q99-L101 PolarHBondContact O-N 2.92Å; L101-C105 WeakPolarHBondContact O-CB 3.08Å; L101-C105 PolarHBondContact O-N 2.81Å; L101-C105 PolarHBondContact O-SG 2.82Å; L101-F136 HydrophobicContact CD2-CE2 3.88Å; L101-F136 HydrophobicContact CD2-CZ 4.27Å; L101-F136 HydrophobicContact CG-CE2 4.06Å; L101-E139 WeakPolarHBondContact CB-OE1 3.34Å; L101-E139 HydrophobicContact CD1-CG 3.81Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.31Å; L101-E139 HydrophobicContact CG-CG 4.32Å; L101-E139 PolarHBondContact N-OE1 2.65Å; L101-R143 HydrophobicContact CD1-CB 4.15Å; L101-Y144 HydrophobicContact CD1-CD2 3.83Å; L101-Y144 HydrophobicContact CD1-CE2 3.76Å; L101-F152 HydrophobicContact CD2-CE2 3.54Å; L101-F152 HydrophobicContact CD2-CZ 3.91Å
102E98.7Very high98.2Very high3 Ų313.9 Ų13.91%0.0147%0.067CC..Hα-helixtrans-62.6-44176.2-74.580.6178.600111.8L16 N27 V28 Y69 Q99 C105 L106 R143L16-E102 HydrophobicContact CD2-CB 4.36Å; L16-E102 HydrophobicContact CD2-CG 4.39Å; N27-E102 VanDerWaalsContact CA-OE1 3.23Å; N27-E102 WeakPolarHBondContact CA-OE1 3.27Å; N27-E102 WeakPolarHBondContact CB-OE1 3.27Å; V28-E102 HydrophobicContact CB-CG 3.96Å; V28-E102 HydrophobicContact CG2-CG 3.94Å; V28-E102 PolarHBondContact N-OE1 3.22Å; Y69-E102 HydrophobicContact CD1-CB 3.57Å; Y69-E102 HydrophobicContact CD1-CG 4.09Å; Y69-E102 HydrophobicContact CD2-CB 3.66Å; Y69-E102 HydrophobicContact CE1-CB 3.72Å; Y69-E102 HydrophobicContact CE1-CG 4.07Å; Y69-E102 HydrophobicContact CE2-CB 3.82Å; Y69-E102 HydrophobicContact CG-CB 3.53Å; Y69-E102 HydrophobicContact CG-CG 4.5Å; Q99-E102 HydrophobicContact CB-CB 4.42Å; Q99-E102 PolarHBondContact O-N 2.89Å; E102-C105 PolarHBondContact O-N 2.76Å; E102-L106 WeakPolarHBondContact O-CB 3.19Å; E102-L106 PolarHBondContact O-N 2.91Å; E102-R143 VanDerWaalsContact CD-NH1 3.31Å; E102-R143 IonicContact OE1-CZ 3.47Å; E102-R143 IonicContact OE1-NH1 3.9Å; E102-R143 PolarHBondContact OE1-NH1 3.09Å; E102-R143 VanDerWaalsContact OE1-NH1 3.15Å; E102-R143 IonicContact OE1-NH2 3.93Å; E102-R143 PolarHBondContact OE1-NH2 2.7Å; E102-R143 IonicContact OE2-CZ 3.31Å; E102-R143 IonicContact OE2-NH1 3.29Å; E102-R143 PolarHBondContact OE2-NH1 3.08Å; E102-R143 IonicContact OE2-NH2 3.73Å
103T98.8Very high98.2Very high0 Ų017.5 Ų17.50%08%0.083CC..Hα-helixtrans-54.6-59.9176.4-69.60000110.7I65 Y69 L72 Y93 Q99 S100 C105 L106 L107I65-T103 HydrophobicContact CB-CG2 4.31Å; I65-T103 HydrophobicContact CG2-CG2 3.65Å; Y69-T103 WeakPolarHBondContact CA-OG1 3.36Å; L72-T103 HydrophobicContact CD2-CG2 4.08Å; Y93-T103 VanDerWaalsContact O-CG2 3.3Å; Y93-T103 WeakPolarHBondContact O-CG2 3.36Å; Q99-T103 PolarHBondContact O-N 2.81Å; Q99-T103 VanDerWaalsContact O-N 3.11Å; Q99-T103 PolarHBondContact O-OG1 2.91Å; S100-T103 PolarHBondContact O-N 3.22Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 2.93Å; T103-L106 PolarHBondContact O-N 3.47Å; T103-L107 HydrophobicContact CG2-CD1 4.07Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.27Å; T103-L107 PolarHBondContact O-N 3.36Å; T103-L107 VanDerWaalsContact O-N 3.12Å
104I98.9Very high98.2Very high1 Ų120 Ų201%0.0059%0.093CC..Hα-helixtrans-67.3-35.8-176.1-167.157.5000111.9Y93 V94 S100 L106 L107 L108 F136 F152 F156Y93-I104 HydrophobicContact CD2-CD1 3.63Å; Y93-I104 HydrophobicContact CE2-CD1 4.48Å; Y93-I104 HydrophobicContact CG-CD1 4.06Å; V94-I104 HydrophobicContact CG1-CB 4.11Å; V94-I104 HydrophobicContact CG1-CG2 4.36Å; S100-I104 VanDerWaalsContact O-CG2 3.28Å; S100-I104 WeakPolarHBondContact O-CG2 3.35Å; S100-I104 PolarHBondContact O-N 2.86Å; I104-L106 PolarHBondContact O-N 3.36Å; I104-L107 PolarHBondContact O-N 2.86Å; I104-L108 HydrophobicContact CD1-CD2 4.25Å; I104-L108 HydrophobicContact CD1-CG 4.09Å; I104-L108 HydrophobicContact CG1-CD1 4.08Å; I104-L108 HydrophobicContact CG1-CG 4.06Å; I104-L108 WeakPolarHBondContact O-CB 3.15Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 2.9Å; I104-F136 HydrophobicContact CG2-CE2 4.29Å; I104-F136 HydrophobicContact CG2-CZ 4.21Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.2Å; I104-F152 HydrophobicContact CG2-CD1 4.32Å; I104-F152 HydrophobicContact CG2-CE1 3.58Å; I104-F152 HydrophobicContact CG2-CZ 3.85Å; I104-F156 HydrophobicContact CD1-CE1 3.85Å; I104-F156 HydrophobicContact CD1-CZ 4.39Å; I104-F156 HydrophobicContact CG1-CE1 3.77Å; I104-F156 HydrophobicContact CG1-CZ 4.01Å
105C98.9Very high98.2Very high2 Ų221.4 Ų21.41%0.01410%0.102CC..Hα-helixtrans-62.5-41.7177.7-71.90000112L16 L30 L38 L101 E102 T103 A109L16-C105 HydrophobicContact CD1-CB 4.16Å; L16-C105 HydrophobicContact CD2-CB 4.31Å; L30-C105 HydrophobicContact CD1-CB 3.92Å; L38-C105 HydrophobicContact CD1-CB 3.94Å; L101-C105 WeakPolarHBondContact O-CB 3.08Å; L101-C105 PolarHBondContact O-N 2.81Å; L101-C105 PolarHBondContact O-SG 2.82Å; E102-C105 PolarHBondContact O-N 2.76Å; T103-C105 VanDerWaalsContact C-N 3.34Å; T103-C105 PolarHBondContact O-N 2.93Å; C105-A109 VanDerWaalsContact O-CB 3.24Å; C105-A109 WeakPolarHBondContact O-CB 3.23Å; C105-A109 PolarHBondContact O-N 2.81Å
106L98.9Very high98.2Very high0 Ų026.7 Ų26.70%013%0.127CC..Hα-helixtrans-66.4-45.1177.4-177.960.8000111.6L16 L17 Y69 L72 L73 F76 E102 T103 I104 L108 A109 Y110L16-L106 HydrophobicContact CB-CD1 4.02Å; L16-L106 HydrophobicContact CD1-CB 4.14Å; L16-L106 HydrophobicContact CD1-CD1 4.25Å; L17-L106 HydrophobicContact CD2-CD1 4.16Å; L17-L106 HydrophobicContact CD2-CD2 4.04Å; Y69-L106 HydrophobicContact CE2-CB 4.08Å; Y69-L106 HydrophobicContact CE2-CD2 3.77Å; L72-L106 HydrophobicContact CD2-CD2 4.36Å; L73-L106 HydrophobicContact CD2-CD2 3.79Å; F76-L106 HydrophobicContact CD2-CD2 4.36Å; F76-L106 HydrophobicContact CE2-CD2 4.03Å; E102-L106 WeakPolarHBondContact O-CB 3.19Å; E102-L106 PolarHBondContact O-N 2.91Å; T103-L106 PolarHBondContact O-N 3.47Å; I104-L106 PolarHBondContact O-N 3.36Å; L106-L108 PolarHBondContact O-N 3.39Å; L106-A109 PolarHBondContact O-N 3.4Å; L106-Y110 HydrophobicContact CD1-CD2 3.9Å; L106-Y110 HydrophobicContact CD1-CE2 3.46Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.46Å; L106-Y110 HydrophobicContact CD2-CE2 4.07Å; L106-Y110 HydrophobicContact CG-CD2 3.89Å; L106-Y110 HydrophobicContact CG-CE2 3.63Å; L106-Y110 WeakPolarHBondContact O-CD2 3.45Å; L106-Y110 PolarHBondContact O-N 3.39Å
107L98.9Very high98.3Very high0 Ų028 Ų280%014%0.137CC..Hα-helixtrans-60.2-45.8177.3-64.9177.8000111.5L72 F76 F89 Y93 T103 I104 Y110 K111 F118 L120L72-L107 HydrophobicContact CD1-CD2 4.2Å; L72-L107 HydrophobicContact CD2-CD2 3.94Å; L72-L107 HydrophobicContact CD2-CG 4.11Å; F76-L107 HydrophobicContact CZ-CD2 4.18Å; F89-L107 HydrophobicContact CD1-CD2 4.39Å; F89-L107 HydrophobicContact CD2-CD2 4.28Å; F89-L107 HydrophobicContact CE1-CD2 4.1Å; F89-L107 HydrophobicContact CE2-CD2 3.98Å; F89-L107 HydrophobicContact CG-CD2 4.49Å; F89-L107 HydrophobicContact CZ-CD2 3.89Å; Y93-L107 HydrophobicContact CD1-CD1 3.48Å; Y93-L107 VanDerWaalsContact CD1-CD1 3.48Å; Y93-L107 HydrophobicContact CD2-CD1 4.49Å; Y93-L107 HydrophobicContact CE1-CD1 4.04Å; Y93-L107 HydrophobicContact CG-CD1 3.74Å; T103-L107 HydrophobicContact CG2-CD1 4.07Å; T103-L107 VanDerWaalsContact O-CG 3.31Å; T103-L107 WeakPolarHBondContact O-CG 3.27Å; T103-L107 PolarHBondContact O-N 3.36Å; T103-L107 VanDerWaalsContact O-N 3.12Å; I104-L107 PolarHBondContact O-N 2.86Å; L107-Y110 PolarHBondContact O-N 2.91Å; L107-K111 PolarHBondContact O-N 2.88Å; L107-F118 HydrophobicContact CB-CE1 4.35Å; L107-F118 HydrophobicContact CD2-CE1 4.06Å; L107-F118 HydrophobicContact CD2-CZ 3.64Å; L107-F118 WeakPolarHBondContact O-CE1 3.45Å; L107-L120 HydrophobicContact CB-CD1 3.89Å; L107-L120 HydrophobicContact CB-CD2 4.13Å; L107-L120 HydrophobicContact CD1-CD2 4.33Å; L107-L120 HydrophobicContact CD2-CD2 4.28Å; L107-L120 HydrophobicContact CG-CD2 4.47Å
108L98.9Very high98.5Very high1 Ų127 Ų271%0.00513%0.125CC..Hα-helixtrans-66.9-37.6176.8-64.6-175.9000112.3L38 F46 I104 L106 K111 I112 L120 F152L38-L108 HydrophobicContact CB-CB 4.41Å; F46-L108 HydrophobicContact CE2-CD2 3.89Å; F46-L108 HydrophobicContact CZ-CD2 3.87Å; I104-L108 HydrophobicContact CD1-CD2 4.25Å; I104-L108 HydrophobicContact CD1-CG 4.09Å; I104-L108 HydrophobicContact CG1-CD1 4.08Å; I104-L108 HydrophobicContact CG1-CG 4.06Å; I104-L108 WeakPolarHBondContact O-CB 3.15Å; I104-L108 VanDerWaalsContact O-CG 3.24Å; I104-L108 WeakPolarHBondContact O-CG 3.42Å; I104-L108 PolarHBondContact O-N 2.9Å; L106-L108 PolarHBondContact O-N 3.39Å; L108-K111 PolarHBondContact O-N 2.91Å; L108-I112 WeakPolarHBondContact O-CD1 3.27Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.34Å; L108-I112 PolarHBondContact O-N 3.2Å; L108-L120 HydrophobicContact CD2-CD1 4.16Å; L108-F152 HydrophobicContact CD1-CE1 4.12Å
109A98.8Very high98.7Very high0 Ų019.4 Ų19.40%09%0.093CC..Hα-helixtrans-63-43.217600000111.4I13 L38 C105 L106 I112 K113I13-A109 HydrophobicContact CD1-CB 4.33Å; I13-A109 HydrophobicContact CG1-CB 3.69Å; L38-A109 HydrophobicContact CD2-CB 3.82Å; C105-A109 VanDerWaalsContact O-CB 3.24Å; C105-A109 WeakPolarHBondContact O-CB 3.23Å; C105-A109 PolarHBondContact O-N 2.81Å; L106-A109 PolarHBondContact O-N 3.4Å; A109-I112 PolarHBondContact O-N 3.08Å; A109-K113 WeakPolarHBondContact O-CB 3.27Å; A109-K113 PolarHBondContact O-N 3Å
110Y98.8Very high98.8Very high4 Ų419 Ų192%0.0169%0.091CC..Hα-helixtrans-65.3-39.1172.7-76.2-45000112.9I13 L17 F76 F81 P82 L106 L107 I112 K113 Y114 F118I13-Y110 HydrophobicContact CD1-CD1 3.95Å; I13-Y110 HydrophobicContact CD1-CE1 4.11Å; I13-Y110 HydrophobicContact CG2-CE1 3.89Å; L17-Y110 WeakPolarHBondContact CD1-OH 3.33Å; F76-Y110 HydrophobicContact CD2-CE2 4.28Å; F76-Y110 HydrophobicContact CE2-CD2 4.23Å; F76-Y110 AromaticContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CE2-CE2 3.84Å; F76-Y110 HydrophobicContact CZ-CD2 4.18Å; F76-Y110 HydrophobicContact CZ-CE2 4.15Å; F81-Y110 WeakPolarHBondContact CD1-OH 3.35Å; P82-Y110 HydrophobicContact CB-CD1 3.92Å; P82-Y110 HydrophobicContact CB-CE1 4.07Å; P82-Y110 HydrophobicContact CB-CG 4.27Å; P82-Y110 HydrophobicContact CG-CD1 4.12Å; P82-Y110 HydrophobicContact CG-CD2 4.05Å; P82-Y110 HydrophobicContact CG-CE1 4.21Å; P82-Y110 HydrophobicContact CG-CE2 4.12Å; P82-Y110 HydrophobicContact CG-CG 4.05Å; L106-Y110 HydrophobicContact CD1-CD2 3.9Å; L106-Y110 HydrophobicContact CD1-CE2 3.46Å; L106-Y110 VanDerWaalsContact CD1-CE2 3.46Å; L106-Y110 HydrophobicContact CD2-CE2 4.07Å; L106-Y110 HydrophobicContact CG-CD2 3.89Å; L106-Y110 HydrophobicContact CG-CE2 3.63Å; L106-Y110 WeakPolarHBondContact O-CD2 3.45Å; L106-Y110 PolarHBondContact O-N 3.39Å; L107-Y110 PolarHBondContact O-N 2.91Å; Y110-I112 VanDerWaalsContact C-N 3.26Å; Y110-I112 PolarHBondContact O-N 3.16Å; Y110-K113 PolarHBondContact O-N 3.44Å; Y110-Y114 AromaticContact CD1-CD2 3.91Å; Y110-Y114 HydrophobicContact CD1-CD2 3.91Å; Y110-Y114 AromaticContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CE1-CE2 4.11Å; Y110-Y114 PolarHBondContact O-N 2.92Å; Y110-F118 HydrophobicContact CD2-CE2 4.18Å; Y110-F118 HydrophobicContact CD2-CZ 4.18Å; Y110-F118 HydrophobicContact CG-CE2 4.36Å; Y110-F118 HydrophobicContact CG-CZ 4.48Å
111K98.8Very high98.8Very high1 Ų119 Ų190%0.0049%0.091CC..Hα-helixtrans-58.8-39173.6-178.858.8178.4171.80112.4I45 F46 Q49 L107 L108 P115 F118 L120I45-K111 HydrophobicContact CG2-CD 4.48Å; I45-K111 HydrophobicContact CG2-CG 4.5Å; F46-K111 HydrophobicContact CD1-CG 4.45Å; F46-K111 HydrophobicContact CE1-CD 3.99Å; F46-K111 HydrophobicContact CE1-CG 3.65Å; F46-K111 HydrophobicContact CZ-CG 3.92Å; Q49-K111 VanDerWaalsContact OE1-CE 3.25Å; L107-K111 PolarHBondContact O-N 2.88Å; L108-K111 PolarHBondContact O-N 2.91Å; K111-P115 PolarHBondContact NZ-O 2.77Å; K111-P115 WeakPolarHBondContact O-CA 3.34Å; K111-F118 HydrophobicContact CB-CD1 4.31Å; K111-F118 WeakPolarHBondContact CD-O 3.39Å; K111-F118 PolarHBondContact NZ-O 3.43Å; K111-L120 HydrophobicContact CB-CD1 4.26Å
112I98.7Very high98.8Very high25 Ų2518.9 Ų18.913%0.1289%0.09CC..Hα-helixtrans-72.7-40.5178-64.1159.2000111.2L7 I9 L38 K41 I45 L108 A109 Y110L7-I112 HydrophobicContact CD2-CD1 4.44Å; I9-I112 HydrophobicContact CD1-CB 4.04Å; I9-I112 HydrophobicContact CD1-CD1 3.85Å; I9-I112 HydrophobicContact CD1-CG2 3.74Å; I9-I112 HydrophobicContact CG1-CB 4.44Å; I9-I112 HydrophobicContact CG1-CG2 3.75Å; L38-I112 HydrophobicContact CB-CD1 4.45Å; L38-I112 HydrophobicContact CD2-CD1 3.71Å; K41-I112 HydrophobicContact CB-CD1 3.87Å; K41-I112 HydrophobicContact CB-CG1 4.22Å; K41-I112 HydrophobicContact CG-CD1 4.21Å; K41-I112 HydrophobicContact CG-CG1 4.1Å; K41-I112 HydrophobicContact CG-CG2 3.93Å; I45-I112 HydrophobicContact CD1-CB 4.22Å; I45-I112 HydrophobicContact CD1-CG1 3.96Å; I45-I112 HydrophobicContact CD1-CG2 4.42Å; L108-I112 WeakPolarHBondContact O-CD1 3.27Å; L108-I112 VanDerWaalsContact O-CG1 3.27Å; L108-I112 WeakPolarHBondContact O-CG1 3.34Å; L108-I112 PolarHBondContact O-N 3.2Å; A109-I112 PolarHBondContact O-N 3.08Å; Y110-I112 VanDerWaalsContact C-N 3.26Å; Y110-I112 PolarHBondContact O-N 3.16Å
113K98.5Very high98.8Very high78 Ų7818.7 Ų18.734%0.3399%0.089SC..Hα-helixtrans-71.2-39.4-178.1-173.566-178.9-172.70112.6I9 D10 I13 A109 Y110 P115I9-K113 HydrophobicContact CG2-CB 3.87Å; I9-K113 HydrophobicContact CG2-CD 4.19Å; I9-K113 HydrophobicContact CG2-CG 4.48Å; D10-K113 WeakPolarHBondContact OD1-CD 3.28Å; D10-K113 WeakPolarHBondContact OD1-CE 3.01Å; D10-K113 IonicContact OD1-NZ 3Å; D10-K113 PolarHBondContact OD1-NZ 3.42Å; D10-K113 IonicContact OD2-NZ 3.7Å; D10-K113 PolarHBondContact OD2-NZ 3.44Å; I13-K113 HydrophobicContact CD1-CB 3.87Å; I13-K113 HydrophobicContact CD1-CG 4.08Å; A109-K113 WeakPolarHBondContact O-CB 3.27Å; A109-K113 PolarHBondContact O-N 3Å; Y110-K113 PolarHBondContact O-N 3.44Å; K113-P115 VanDerWaalsContact C-CD 3.49Å
114Y98.7Very high98.8Very high52 Ų5218.9 Ų18.920%0.2049%0.09CC..  trans-129.962-172.8-50.4-64.9000110.9P82 P83 Y110 E116 N117 F118P82-Y114 HydrophobicContact CB-CD2 3.68Å; P82-Y114 HydrophobicContact CB-CE2 3.84Å; P82-Y114 WeakPolarHBondContact O-CE2 3.41Å; P83-Y114 HydrophobicContact CB-CD1 3.88Å; P83-Y114 HydrophobicContact CB-CE1 3.74Å; P83-Y114 HydrophobicContact CB-CG 4.36Å; P83-Y114 HydrophobicContact CG-CD1 4.37Å; P83-Y114 HydrophobicContact CG-CE1 3.73Å; Y110-Y114 AromaticContact CD1-CD2 3.91Å; Y110-Y114 HydrophobicContact CD1-CD2 3.91Å; Y110-Y114 AromaticContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CD1-CE2 3.75Å; Y110-Y114 HydrophobicContact CE1-CE2 4.11Å; Y110-Y114 PolarHBondContact O-N 2.92Å; Y114-E116 PolarHBondContact O-N 3.12Å; Y114-E116 VanDerWaalsContact O-N 3.1Å; Y114-N117 PolarHBondContact O-N 2.77Å; Y114-N117 VanDerWaalsContact O-N 3.09Å; Y114-F118 WeakPolarHBondContact O-CB 3.2Å; Y114-F118 PolarHBondContact O-N 3.34Å
115P98.6Very high98.8Very high30 Ų3019.3 Ų19.320%0.1959%0.092CC..THydrogen-bonded Turntrans-61.6-24.5-17024.7-34.8000114.5I45 Q49 K111 K113I45-P115 HydrophobicContact CD1-CB 4.49Å; I45-P115 HydrophobicContact CG2-CB 4.01Å; Q49-P115 PolarHBondContact NE2-O 2.87Å; K111-P115 PolarHBondContact NZ-O 2.77Å; K111-P115 WeakPolarHBondContact O-CA 3.34Å; K113-P115 VanDerWaalsContact C-CD 3.49Å
116E98.4Very high98.8Very high111 Ų11119.2 Ų19.252%0.5199%0.092SC..THydrogen-bonded Turntrans-103.83.7-178.9-48.2-49.6142.400113.3Q49 Y114 F119Q49-E116 PolarHBondContact NE2-OE1 3.14Å; Q49-E116 PolarHBondContact NE2-OE2 3.15Å; Y114-E116 PolarHBondContact O-N 3.12Å; Y114-E116 VanDerWaalsContact O-N 3.1Å; E116-F119 VanDerWaalsContact C-CZ 3.46Å; E116-F119 VanDerWaalsContact O-CZ 3.28Å; E116-F119 WeakPolarHBondContact O-CZ 3.41Å
117N98.6Very high98.7Very high64 Ų6419.3 Ų19.334%0.3429%0.092SC..THydrogen-bonded Turntrans-128-5.8179.1-58.592.1000112.8N86 Y87 Y114N86-N117 CarbonylContact C-O 3.6Å; N86-N117 VanDerWaalsContact CA-O 3.24Å; N86-N117 WeakPolarHBondContact CA-O 3.3Å; N86-N117 VanDerWaalsContact OD1-CB 3.28Å; N86-N117 WeakPolarHBondContact OD1-CB 3.43Å; N86-N117 PolarHBondContact OD1-ND2 3.12Å; Y87-N117 PolarHBondContact N-O 3.41Å; Y114-N117 PolarHBondContact O-N 2.77Å; Y114-N117 VanDerWaalsContact O-N 3.09Å
118F98.9Very high98.7Very high0 Ų020.2 Ų20.20%010%0.099CC..EExtended strand (participates in β ladder)trans-135.3118.5-176.4-161.4-90.9000110.1F76 P82 Y87 F89 L107 Y110 K111 Y114 L120F76-F118 AromaticContact CE1-CE2 3.97Å; F76-F118 HydrophobicContact CE1-CE2 3.97Å; F76-F118 HydrophobicContact CE1-CZ 4.44Å; F76-F118 AromaticContact CZ-CE2 3.95Å; F76-F118 HydrophobicContact CZ-CE2 3.95Å; F76-F118 AromaticContact CZ-CZ 4Å; F76-F118 HydrophobicContact CZ-CZ 4Å; P82-F118 HydrophobicContact CB-CD2 4.23Å; P82-F118 HydrophobicContact CG-CD2 3.65Å; P82-F118 HydrophobicContact CG-CE2 3.66Å; Y87-F118 HydrophobicContact CD2-CD2 4.25Å; Y87-F118 HydrophobicContact CD2-CE2 4.19Å; Y87-F118 HydrophobicContact CG-CD2 4.34Å; Y87-F118 HydrophobicContact CG-CE2 4.11Å; F89-F118 HydrophobicContact CD2-CE1 4.46Å; F89-F118 HydrophobicContact CD2-CE2 4.43Å; F89-F118 AromaticContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CD2-CZ 3.95Å; F89-F118 HydrophobicContact CE2-CE1 4.41Å; F89-F118 AromaticContact CE2-CE2 3.76Å; F89-F118 HydrophobicContact CE2-CE2 3.76Å; F89-F118 AromaticContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CE2-CZ 3.5Å; F89-F118 VanDerWaalsContact CE2-CZ 3.5Å; F89-F118 HydrophobicContact CZ-CZ 4.39Å; L107-F118 HydrophobicContact CB-CE1 4.35Å; L107-F118 HydrophobicContact CD2-CE1 4.06Å; L107-F118 HydrophobicContact CD2-CZ 3.64Å; L107-F118 WeakPolarHBondContact O-CE1 3.45Å; Y110-F118 HydrophobicContact CD2-CE2 4.18Å; Y110-F118 HydrophobicContact CD2-CZ 4.18Å; Y110-F118 HydrophobicContact CG-CE2 4.36Å; Y110-F118 HydrophobicContact CG-CZ 4.48Å; K111-F118 HydrophobicContact CB-CD1 4.31Å; K111-F118 WeakPolarHBondContact CD-O 3.39Å; K111-F118 PolarHBondContact NZ-O 3.43Å; Y114-F118 WeakPolarHBondContact O-CB 3.2Å; Y114-F118 PolarHBondContact O-N 3.34Å; F118-L120 HydrophobicContact CD1-CD2 4.39Å; F118-L120 HydrophobicContact CD1-CG 4.33Å; F118-L120 HydrophobicContact CE1-CD1 4.29Å; F118-L120 HydrophobicContact CE1-CD2 3.7Å; F118-L120 HydrophobicContact CE1-CG 4.04Å; F118-L120 HydrophobicContact CZ-CD2 4.41Å
119F98.9Very high98.6Very high22 Ų2223.7 Ų23.710%0.09612%0.124CC..EExtended strand (participates in β ladder)trans-128.3140.4-170.2-56.1-82.6000110.9L53 L55 Y87 L88 F89 E116L53-F119 HydrophobicContact CD1-CB 3.98Å; L53-F119 HydrophobicContact CD1-CD1 3.83Å; L53-F119 HydrophobicContact CD1-CG 4.24Å; L55-F119 HydrophobicContact CD1-CB 4.31Å; L55-F119 HydrophobicContact CD1-CD2 4Å; L55-F119 HydrophobicContact CD1-CG 4.05Å; L55-F119 HydrophobicContact CD2-CD1 3.71Å; L55-F119 HydrophobicContact CD2-CD2 3.84Å; L55-F119 HydrophobicContact CD2-CE1 3.5Å; L55-F119 VanDerWaalsContact CD2-CE1 3.5Å; L55-F119 HydrophobicContact CD2-CE2 3.64Å; L55-F119 HydrophobicContact CD2-CG 3.87Å; L55-F119 HydrophobicContact CD2-CZ 3.45Å; L55-F119 VanDerWaalsContact CD2-CZ 3.45Å; Y87-F119 PolarHBondContact O-N 3.14Å; L88-F119 CarbonylContact C-O 3.59Å; L88-F119 WeakPolarHBondContact CA-O 3.28Å; L88-F119 HydrophobicContact CD1-CB 3.72Å; F89-F119 PolarHBondContact N-O 3.49Å; E116-F119 VanDerWaalsContact C-CZ 3.46Å; E116-F119 VanDerWaalsContact O-CZ 3.28Å; E116-F119 WeakPolarHBondContact O-CZ 3.41Å
120L99Very high98.6Very high1 Ų124.7 Ų24.71%0.00513%0.129CC..EExtended strand (participates in β ladder)trans-132.9113.6-174.6-64.6178.4000107.6F46 F89 Y93 L107 L108 K111 F118 L159 P160F46-L120 HydrophobicContact CE1-CB 4.27Å; F46-L120 HydrophobicContact CZ-CB 4.4Å; F46-L120 HydrophobicContact CZ-CD1 4.14Å; F89-L120 HydrophobicContact CB-CD2 3.77Å; F89-L120 HydrophobicContact CD2-CD2 3.85Å; F89-L120 HydrophobicContact CG-CD2 3.99Å; Y93-L120 HydrophobicContact CE1-CD2 4.2Å; Y93-L120 HydrophobicContact CE2-CB 4.28Å; Y93-L120 WeakPolarHBondContact OH-CA 3.41Å; Y93-L120 VanDerWaalsContact OH-CB 3.25Å; Y93-L120 WeakPolarHBondContact OH-CB 3.47Å; L107-L120 HydrophobicContact CB-CD1 3.89Å; L107-L120 HydrophobicContact CB-CD2 4.13Å; L107-L120 HydrophobicContact CD1-CD2 4.33Å; L107-L120 HydrophobicContact CD2-CD2 4.28Å; L107-L120 HydrophobicContact CG-CD2 4.47Å; L108-L120 HydrophobicContact CD2-CD1 4.16Å; K111-L120 HydrophobicContact CB-CD1 4.26Å; F118-L120 HydrophobicContact CD1-CD2 4.39Å; F118-L120 HydrophobicContact CD1-CG 4.33Å; F118-L120 HydrophobicContact CE1-CD1 4.29Å; F118-L120 HydrophobicContact CE1-CD2 3.7Å; F118-L120 HydrophobicContact CE1-CG 4.04Å; F118-L120 HydrophobicContact CZ-CD2 4.41Å; L120-L159 HydrophobicContact CB-CD2 4.04Å; L120-P160 VanDerWaalsContact O-CD 3.25Å; L120-P160 WeakPolarHBondContact O-CD 3.15Å; L120-P160 WeakPolarHBondContact O-CG 3.25Å
121L98.9Very high98.6Very high0 Ų024.5 Ų24.50%013%0.128CC..  trans-84.2164.2170.1-57.9-171.9000111.1L53 L88 F89 L90 Y93 P160 A163 C171L53-L121 HydrophobicContact CD1-CD2 3.96Å; L88-L121 HydrophobicContact CD1-CD1 4.23Å; L88-L121 HydrophobicContact CD1-CD2 4.04Å; L88-L121 HydrophobicContact CD1-CG 3.77Å; F89-L121 WeakPolarHBondContact O-CB 3.1Å; F89-L121 PolarHBondContact O-N 3.43Å; L90-L121 HydrophobicContact CD2-CD1 3.88Å; Y93-L121 WeakPolarHBondContact CE2-O 3.43Å; Y93-L121 VanDerWaalsContact CZ-O 3.32Å; Y93-L121 PolarHBondContact OH-N 3.27Å; Y93-L121 VanDerWaalsContact OH-N 3.14Å; Y93-L121 PolarHBondContact OH-O 3.12Å; L121-P160 CarbonylContact C-O 3.44Å; L121-P160 WeakPolarHBondContact CA-O 3.5Å; L121-P160 HydrophobicContact CD2-CB 4.28Å; L121-P160 HydrophobicContact CD2-CG 4.11Å; L121-A163 HydrophobicContact CD1-CB 4.39Å; L121-A163 HydrophobicContact CD2-CB 4.2Å; L121-C171 HydrophobicContact CD1-CB 4.27Å; L121-C171 WeakPolarHBondContact CD1-O 3.34Å
122R98.9Very high98.5Very high1 Ų129.3 Ų29.30%0.00415%0.146CC..  trans-81.4130.3173.4-160.8173.5-172.9172.94.6110E126 F156 N157 L159 P160 I161 H173 T193 L205R122-E126 HydrophobicContact CG-CB 3.86Å; R122-E126 PolarHBondContact NE-O 3.37Å; R122-E126 PolarHBondContact NH2-O 3.48Å; R122-F156 PolarHBondContact NE-O 3.35Å; R122-N157 PolarHBondContact NH2-OD1 3.2Å; R122-L159 HydrophobicContact CB-CB 3.75Å; R122-L159 HydrophobicContact CB-CD1 4.32Å; R122-L159 HydrophobicContact CG-CB 4.1Å; R122-L159 HydrophobicContact CG-CD1 4.17Å; R122-P160 PolarHBondContact N-O 3.47Å; R122-I161 HydrophobicContact CB-CD1 3.66Å; R122-I161 HydrophobicContact CG-CD1 4.29Å; R122-H173 WeakPolarHBondContact O-CB 3.29Å; R122-T193 PolarHBondContact NH1-O 3.41Å; R122-L205 HydrophobicContact CB-CD2 4.11Å; R122-L205 HydrophobicContact CG-CD2 4.36Å; R122-L205 WeakPolarHBondContact O-CD2 3.46Å
123G98.8Very high98.5Very high0 Ų032.9 Ų32.90%017%0.165CC..  trans-96.2175.6162.700000112D92 H125 E126 H173D92-G123 WeakPolarHBondContact OD1-CA 3.11Å; G123-H125 PolarHBondContact O-N 2.98Å; G123-E126 VanDerWaalsContact CA-OE2 3.26Å; G123-E126 WeakPolarHBondContact CA-OE2 2.93Å; G123-E126 PolarHBondContact N-OE2 3.23Å; G123-E126 PolarHBondContact O-N 3.43Å; G123-H173 VanDerWaalsContact CA-CG 3.44Å
124N98.7Very high98.4Very high3 Ų331.8 Ų31.82%0.01616%0.159CC..THydrogen-bonded Turntrans-72.6-19.2178.866.5-61.3000112.2D92 C127 H173 L205 W206 H248D92-N124 PolarHBondContact OD1-N 3.4Å; D92-N124 PolarHBondContact OD1-OD1 2.77Å; D92-N124 PolarHBondContact OD2-OD1 3.05Å; N124-C127 PolarHBondContact O-SG 2.79Å; N124-H173 PolarHBondContact N-CD2 3.18Å; N124-H173 PolarHBondContact OD1-CD2 2.97Å; N124-H173 PolarHBondContact OD1-NE2 3.09Å; N124-L205 HydrophobicContact CB-CB 4.27Å; N124-W206 HydrophobicContact CB-CD2 3.88Å; N124-W206 VanDerWaalsContact CB-CE2 3.49Å; N124-W206 HydrophobicContact CB-CE3 4.43Å; N124-W206 HydrophobicContact CB-CG 4.32Å; N124-W206 HydrophobicContact CB-CH2 4.38Å; N124-W206 HydrophobicContact CB-CZ2 3.78Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.37Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.34Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.47Å; N124-H248 PolarHBondContact OD1-CE1 2.65Å; N124-H248 VanDerWaalsContact OD1-CE1 3.28Å; N124-H248 PolarHBondContact OD1-ND1 3Å
125H98.7Very high98.4Very high11 Ų1130 Ų305%0.05116%0.156CC..THydrogen-bonded Turntrans-80-13.8173-77-102.4000113.9H66 D92 V94 D95 G123 C127 I130 N131 Y134H66-H125 AromaticContact CE1-CD2 3.56Å; H66-H125 AromaticContact CE1-CE1 3.89Å; H66-H125 AromaticContact CE1-CG 3.68Å; H66-H125 AromaticContact CE1-ND1 3.89Å; H66-H125 AromaticContact CE1-NE2 3.7Å; D92-H125 WeakPolarHBondContact OD1-CB 3.09Å; D92-H125 IonicContact OD1-CD2 3.32Å; D92-H125 IonicContact OD1-CG 2.78Å; D92-H125 PolarHBondContact OD1-N 2.96Å; D92-H125 IonicContact OD2-CD2 3.34Å; D92-H125 PolarHBondContact OD2-CD2 3.28Å; D92-H125 IonicContact OD2-CG 2.97Å; D92-H125 IonicContact OD2-NE2 3.43Å; V94-H125 HydrophobicContact CG2-CB 4.45Å; D95-H125 VanDerWaalsContact CB-ND1 3.35Å; D95-H125 WeakPolarHBondContact CB-ND1 3.41Å; D95-H125 IonicContact OD2-CE1 2.77Å; D95-H125 IonicContact OD2-CG 3.73Å; D95-H125 IonicContact OD2-ND1 3.54Å; D95-H125 PolarHBondContact OD2-ND1 3.41Å; G123-H125 PolarHBondContact O-N 2.98Å; H125-C127 PolarHBondContact O-N 3.04Å; H125-I130 HydrophobicContact CB-CG2 4.35Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.34Å; H125-N131 WeakPolarHBondContact O-CB 3.48Å; H125-N131 PolarHBondContact O-ND2 2.74Å; H125-Y134 AromaticContact CE1-CD2 3.88Å; H125-Y134 AromaticContact CE1-CG 4Å
126E98.8Very high98.4Very high0 Ų028.5 Ų28.50%015%0.147CC..SBendtrans-82.342170.8-75.973.4-128.600112.2D92 Y93 V94 R122 G123 F156 L159D92-E126 PolarHBondContact N-OE2 2.87Å; Y93-E126 HydrophobicContact CD2-CG 3.84Å; Y93-E126 HydrophobicContact CE2-CG 4.26Å; Y93-E126 PolarHBondContact N-OE1 3.5Å; V94-E126 PolarHBondContact N-OE1 2.76Å; R122-E126 HydrophobicContact CG-CB 3.86Å; R122-E126 PolarHBondContact NE-O 3.37Å; R122-E126 PolarHBondContact NH2-O 3.48Å; G123-E126 VanDerWaalsContact CA-OE2 3.26Å; G123-E126 WeakPolarHBondContact CA-OE2 2.93Å; G123-E126 PolarHBondContact N-OE2 3.23Å; G123-E126 PolarHBondContact O-N 3.43Å; E126-F156 HydrophobicContact CB-CB 4Å; E126-F156 HydrophobicContact CB-CD1 4.31Å; E126-F156 HydrophobicContact CB-CD2 4.12Å; E126-F156 HydrophobicContact CB-CG 3.9Å; E126-F156 HydrophobicContact CG-CD1 3.92Å; E126-F156 HydrophobicContact CG-CD2 4.18Å; E126-F156 HydrophobicContact CG-CE1 4.09Å; E126-F156 HydrophobicContact CG-CE2 4.33Å; E126-F156 HydrophobicContact CG-CG 3.97Å; E126-F156 HydrophobicContact CG-CZ 4.29Å; E126-F156 WeakPolarHBondContact O-CB 3.41Å; E126-L159 HydrophobicContact CB-CD1 3.93Å; E126-L159 HydrophobicContact CG-CD1 3.8Å
127C97.6Very high98.4Very high2 Ų224.2 Ų24.21%0.01413%0.126CC..SBendtrans-137.1151.3170.977.40000111.9N124 H125 S129 I130 N131 V195N124-C127 PolarHBondContact O-SG 2.79Å; H125-C127 PolarHBondContact O-N 3.04Å; C127-S129 PolarHBondContact O-N 3.48Å; C127-S129 PolarHBondContact SG-OG 2.91Å; C127-I130 PolarHBondContact O-N 3.2Å; C127-I130 WeakPolarHBondContact SG-CG1 3.36Å; C127-N131 PolarHBondContact O-N 3.01Å; C127-N131 VanDerWaalsContact O-N 3.09Å; C127-N131 PolarHBondContact O-ND2 2.9Å; C127-N131 PolarHBondContact O-OD1 2.85Å; C127-V195 HydrophobicContact CB-CB 4.08Å; C127-V195 HydrophobicContact CB-CG2 3.69Å
128A98.2Very high98.4Very high18 Ų1824.6 Ų24.615%0.14913%0.128CC..Hα-helixtrans-66-37.6-17000000112.9I130 R132 W149 T153A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 2.9Å; A128-R132 WeakPolarHBondContact O-CB 3.14Å; A128-R132 PolarHBondContact O-N 2.82Å; A128-R132 VanDerWaalsContact O-N 3.12Å; A128-W149 HydrophobicContact CB-CH2 4.02Å; A128-W149 HydrophobicContact CB-CZ2 3.9Å; A128-T153 HydrophobicContact CB-CG2 3.82Å
129S97.5Very high98.4Very high74 Ų7425.1 Ų25.152%0.51713%0.13SC..Hα-helixtrans-62.9-38.9-178.5520000112.3C127C127-S129 PolarHBondContact O-N 3.48Å; C127-S129 PolarHBondContact SG-OG 2.91Å
130I98.2Very high98.4Very high21 Ų2124.1 Ų24.111%0.10813%0.126CC..Hα-helixtrans-81.1-54.1-178.3-61.3-58.5000111.2H125 C127 A128 R132 I133 Y134 W206H125-I130 HydrophobicContact CB-CG2 4.35Å; H125-I130 WeakPolarHBondContact ND1-CG2 3.34Å; C127-I130 PolarHBondContact O-N 3.2Å; C127-I130 WeakPolarHBondContact SG-CG1 3.36Å; A128-I130 VanDerWaalsContact C-N 3.33Å; A128-I130 PolarHBondContact O-N 2.9Å; I130-R132 PolarHBondContact O-N 2.91Å; I130-R132 VanDerWaalsContact O-N 3.1Å; I130-I133 WeakPolarHBondContact O-CG1 3.38Å; I130-I133 PolarHBondContact O-N 2.88Å; I130-Y134 HydrophobicContact CD1-CE2 4.42Å; I130-Y134 HydrophobicContact CG2-CD2 3.58Å; I130-Y134 HydrophobicContact CG2-CE2 4.01Å; I130-Y134 VanDerWaalsContact O-CD2 3.3Å; I130-Y134 WeakPolarHBondContact O-CD2 3.26Å; I130-Y134 PolarHBondContact O-N 2.76Å; I130-W206 HydrophobicContact CD1-CH2 3.72Å; I130-W206 HydrophobicContact CD1-CZ2 3.61Å; I130-W206 HydrophobicContact CG1-CH2 4.25Å; I130-W206 HydrophobicContact CG1-CZ2 3.77Å
131N98.4Very high98.3Very high0 Ų029.4 Ų29.40%015%0.149CC..Hα-helixtrans-75.5-3.9-175.772.735.3000114.7V94 D95 H125 C127 I133 F136 Y137 W149V94-N131 HydrophobicContact CG2-CB 4.13Å; D95-N131 WeakPolarHBondContact OD1-CA 3.49Å; D95-N131 WeakPolarHBondContact OD1-CB 3.25Å; D95-N131 WeakPolarHBondContact OD2-CA 3.42Å; D95-N131 WeakPolarHBondContact OD2-CB 3.41Å; H125-N131 WeakPolarHBondContact O-CB 3.48Å; H125-N131 PolarHBondContact O-ND2 2.74Å; C127-N131 PolarHBondContact O-N 3.01Å; C127-N131 VanDerWaalsContact O-N 3.09Å; C127-N131 PolarHBondContact O-ND2 2.9Å; C127-N131 PolarHBondContact O-OD1 2.85Å; N131-I133 VanDerWaalsContact C-N 3.3Å; N131-F136 HydrophobicContact CB-CB 3.94Å; N131-F136 HydrophobicContact CB-CD1 4.41Å; N131-Y137 WeakPolarHBondContact O-CB 3.37Å; N131-Y137 PolarHBondContact O-N 2.93Å; N131-W149 PolarHBondContact OD1-NE1 2.95Å
132R98.1Very high98.3Very high102 Ų10237.4 Ų37.439%0.38518%0.179SC..THydrogen-bonded Turntrans-66.7-30.4165.2179.261.9-175.285.2-1113.1A128 I130 Y137 W149A128-R132 WeakPolarHBondContact O-CB 3.14Å; A128-R132 PolarHBondContact O-N 2.82Å; A128-R132 VanDerWaalsContact O-N 3.12Å; I130-R132 PolarHBondContact O-N 2.91Å; I130-R132 VanDerWaalsContact O-N 3.1Å; R132-Y137 VanDerWaalsContact CD-CG 3.5Å; R132-Y137 VanDerWaalsContact NH1-CE1 3.32Å; R132-W149 HydrophobicContact CB-CZ2 4.17Å
133I97.6Very high98.2Very high100 Ų10039.6 Ų39.651%0.51319%0.187SC..THydrogen-bonded Turntrans-115.8-20.7-170.359.2169.2000113.8I130 N131I130-I133 WeakPolarHBondContact O-CG1 3.38Å; I130-I133 PolarHBondContact O-N 2.88Å; N131-I133 VanDerWaalsContact C-N 3.3Å
134Y97.5Very high98.2Very high55 Ų5541.9 Ų41.922%0.21620%0.196CC..SBendtrans-100.38.5-176.5-67.5-68.9000115.4D95 R96 H125 I130 P314D95-Y134 WeakPolarHBondContact CB-O 3.43Å; D95-Y134 VanDerWaalsContact OD1-C 3.28Å; R96-Y134 VanDerWaalsContact CZ-CD1 3.44Å; R96-Y134 PolarHBondContact N-O 3.41Å; H125-Y134 AromaticContact CE1-CD2 3.88Å; H125-Y134 AromaticContact CE1-CG 4Å; I130-Y134 HydrophobicContact CD1-CE2 4.42Å; I130-Y134 HydrophobicContact CG2-CD2 3.58Å; I130-Y134 HydrophobicContact CG2-CE2 4.01Å; I130-Y134 VanDerWaalsContact O-CD2 3.3Å; I130-Y134 WeakPolarHBondContact O-CD2 3.26Å; I130-Y134 PolarHBondContact O-N 2.76Å; Y134-P314 HydrophobicContact CE1-CG 4.33Å
135G97.6Very high98.2Very high14 Ų1443.9 Ų43.914%0.14421%0.207CC..SBendtrans129.3-27.2160.500000116.1D95 Y137 D138 E139D95-G135 PolarHBondContact OD1-N 2.83Å; G135-Y137 PolarHBondContact O-N 2.91Å; G135-D138 PolarHBondContact O-N 3.01Å; G135-E139 PolarHBondContact O-N 2.91Å
136F98.7Very high98.2Very high0 Ų046.5 Ų46.50%022%0.22CC..Hα-helixtrans-66.9-39.4-173.3-173.6-127.1000113.1V94 D95 L101 I104 N131 D138 E139 C140 W149 F152 F156V94-F136 HydrophobicContact CB-CB 3.98Å; V94-F136 HydrophobicContact CB-CD1 4.22Å; V94-F136 HydrophobicContact CB-CD2 3.85Å; V94-F136 HydrophobicContact CB-CE2 4.35Å; V94-F136 HydrophobicContact CB-CG 3.76Å; V94-F136 HydrophobicContact CG1-CD1 4.21Å; V94-F136 HydrophobicContact CG1-CD2 3.79Å; V94-F136 HydrophobicContact CG1-CE1 4.21Å; V94-F136 HydrophobicContact CG1-CE2 3.77Å; V94-F136 HydrophobicContact CG1-CG 4.01Å; V94-F136 HydrophobicContact CG1-CZ 3.98Å; V94-F136 HydrophobicContact CG2-CB 4.1Å; V94-F136 HydrophobicContact CG2-CD1 4.13Å; V94-F136 HydrophobicContact CG2-CG 4.04Å; D95-F136 WeakPolarHBondContact OD1-CB 3.17Å; D95-F136 PolarHBondContact OD1-N 3.02Å; L101-F136 HydrophobicContact CD2-CE2 3.88Å; L101-F136 HydrophobicContact CD2-CZ 4.27Å; L101-F136 HydrophobicContact CG-CE2 4.06Å; I104-F136 HydrophobicContact CG2-CE2 4.29Å; I104-F136 HydrophobicContact CG2-CZ 4.21Å; N131-F136 HydrophobicContact CB-CB 3.94Å; N131-F136 HydrophobicContact CB-CD1 4.41Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 3.02Å; F136-E139 PolarHBondContact O-N 3.15Å; F136-C140 WeakPolarHBondContact O-CB 3.37Å; F136-C140 PolarHBondContact O-N 2.89Å; F136-C140 PolarHBondContact O-SG 2.76Å; F136-C140 VanDerWaalsContact O-SG 3.32Å; F136-W149 AromaticContact CD1-CD1 3.85Å; F136-F152 HydrophobicContact CE1-CB 3.7Å; F136-F152 HydrophobicContact CE1-CD1 4.5Å; F136-F152 AromaticContact CE1-CD2 3.93Å; F136-F152 HydrophobicContact CE1-CD2 3.93Å; F136-F152 AromaticContact CE1-CG 3.82Å; F136-F152 HydrophobicContact CE1-CG 3.82Å; F136-F152 HydrophobicContact CZ-CB 4.08Å; F136-F152 HydrophobicContact CZ-CD1 4.1Å; F136-F152 AromaticContact CZ-CD2 3.53Å; F136-F152 HydrophobicContact CZ-CD2 3.53Å; F136-F152 HydrophobicContact CZ-CE1 4.38Å; F136-F152 AromaticContact CZ-CE2 3.84Å; F136-F152 HydrophobicContact CZ-CE2 3.84Å; F136-F152 AromaticContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CZ 4.24Å; F136-F156 HydrophobicContact CD1-CE2 4.17Å; F136-F156 AromaticContact CE1-CE2 3.72Å; F136-F156 HydrophobicContact CE1-CE2 3.72Å; F136-F156 AromaticContact CE1-CZ 3.94Å; F136-F156 HydrophobicContact CE1-CZ 3.94Å; F136-F156 HydrophobicContact CZ-CZ 4.31Å
137Y98.7Very high98.1Very high20 Ų2053 Ų538%0.07825%0.249CC..Hα-helixtrans-57.8-47.2173172.1-85.1000111.7N131 R132 G135 E139 C140 K141 I146 W149N131-Y137 WeakPolarHBondContact O-CB 3.37Å; N131-Y137 PolarHBondContact O-N 2.93Å; R132-Y137 VanDerWaalsContact CD-CG 3.5Å; R132-Y137 VanDerWaalsContact NH1-CE1 3.32Å; G135-Y137 PolarHBondContact O-N 2.91Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; Y137-C140 PolarHBondContact O-N 2.97Å; Y137-K141 HydrophobicContact CE1-CB 4.43Å; Y137-K141 HydrophobicContact CE1-CD 3.83Å; Y137-K141 VanDerWaalsContact O-CB 3.28Å; Y137-K141 WeakPolarHBondContact O-CB 3.37Å; Y137-K141 PolarHBondContact O-N 3.24Å; Y137-I146 HydrophobicContact CE2-CG1 4.23Å; Y137-I146 HydrophobicContact CE2-CG2 4.06Å; Y137-I146 VanDerWaalsContact OH-CD1 3.28Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.5Å; Y137-W149 AromaticContact CD2-CD2 3.53Å; Y137-W149 HydrophobicContact CD2-CD2 3.53Å; Y137-W149 AromaticContact CD2-CE2 3.77Å; Y137-W149 AromaticContact CD2-CE3 3.71Å; Y137-W149 HydrophobicContact CD2-CE3 3.71Å; Y137-W149 AromaticContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CH2 4.33Å; Y137-W149 HydrophobicContact CD2-CZ2 4.17Å; Y137-W149 HydrophobicContact CD2-CZ3 4.12Å; Y137-W149 HydrophobicContact CE2-CD2 4.27Å; Y137-W149 HydrophobicContact CE2-CE3 4.01Å; Y137-W149 HydrophobicContact CE2-CZ3 4.29Å; Y137-W149 HydrophobicContact CG-CD2 4.48Å
138D98.4Very high98.2Very high73 Ų7352.9 Ų52.939%0.3925%0.248SC..Hα-helixtrans-68.9-36.1-179-71.2-40000111.2G135 F136 R142G135-D138 PolarHBondContact O-N 3.01Å; F136-D138 VanDerWaalsContact C-N 3.33Å; F136-D138 PolarHBondContact O-N 3.02Å; D138-R142 WeakPolarHBondContact O-CB 3.36Å; D138-R142 PolarHBondContact O-N 3.27Å
139E98.5Very high98.2Very high11 Ų1153.4 Ų53.45%0.05125%0.246CC..Hα-helixtrans-61.7-49.7172.6-165.3-173.6156.300111.5S100 L101 G135 F136 Y137 R142 R143S100-E139 VanDerWaalsContact CB-OE2 3.26Å; S100-E139 WeakPolarHBondContact CB-OE2 3.08Å; S100-E139 PolarHBondContact N-OE2 2.88Å; L101-E139 WeakPolarHBondContact CB-OE1 3.34Å; L101-E139 HydrophobicContact CD1-CG 3.81Å; L101-E139 WeakPolarHBondContact CD1-OE1 3.31Å; L101-E139 HydrophobicContact CG-CG 4.32Å; L101-E139 PolarHBondContact N-OE1 2.65Å; G135-E139 PolarHBondContact O-N 2.91Å; F136-E139 PolarHBondContact O-N 3.15Å; Y137-E139 VanDerWaalsContact C-N 3.34Å; E139-R142 PolarHBondContact O-N 2.92Å; E139-R143 WeakPolarHBondContact O-CB 3.39Å; E139-R143 PolarHBondContact O-N 2.85Å; E139-R143 IonicContact OE1-CZ 3.15Å; E139-R143 IonicContact OE1-NH1 2.73Å; E139-R143 PolarHBondContact OE1-NH1 2.9Å
140C98.6Very high98.3Very high0 Ų055.8 Ų55.80%025%0.247CC..Hα-helixtrans-58.3-49.3175.8-750000111.8F136 Y137 R142 Y144 N145 W149F136-C140 WeakPolarHBondContact O-CB 3.37Å; F136-C140 PolarHBondContact O-N 2.89Å; F136-C140 PolarHBondContact O-SG 2.76Å; F136-C140 VanDerWaalsContact O-SG 3.32Å; Y137-C140 PolarHBondContact O-N 2.97Å; C140-R142 VanDerWaalsContact C-N 3.34Å; C140-R142 PolarHBondContact O-N 2.92Å; C140-Y144 CarbonylContact O-C 3.59Å; C140-Y144 VanDerWaalsContact O-C 3.3Å; C140-Y144 WeakPolarHBondContact O-CA 3.48Å; C140-Y144 PolarHBondContact O-N 2.99Å; C140-N145 PolarHBondContact O-N 3.14Å; C140-W149 HydrophobicContact CB-CB 3.74Å
141K98.2Very high98.3Very high113 Ų11355.7 Ų55.749%0.49125%0.248SC..Hα-helixtrans-61.9-40.8-179.2179.5-179.1173.9-172.80111.9Y137 I146Y137-K141 HydrophobicContact CE1-CB 4.43Å; Y137-K141 HydrophobicContact CE1-CD 3.83Å; Y137-K141 VanDerWaalsContact O-CB 3.28Å; Y137-K141 WeakPolarHBondContact O-CB 3.37Å; Y137-K141 PolarHBondContact O-N 3.24Å; K141-I146 HydrophobicContact CB-CG1 4.34Å; K141-I146 HydrophobicContact CD-CD1 4.4Å; K141-I146 HydrophobicContact CD-CG1 4.33Å; K141-I146 HydrophobicContact CG-CG1 4.11Å
142R98Very high98.3Very high168 Ų16855.7 Ų55.763%0.63425%0.248SC*.Hα-helixtrans-73.3-39.8-178-179.5-179.958.276-0.3112.7D138 E139 C140D138-R142 WeakPolarHBondContact O-CB 3.36Å; D138-R142 PolarHBondContact O-N 3.27Å; E139-R142 PolarHBondContact O-N 2.92Å; C140-R142 VanDerWaalsContact C-N 3.34Å; C140-R142 PolarHBondContact O-N 2.92Å
143R98.1Very high98.4Very high46 Ų4651.6 Ų51.617%0.17423%0.234CC..Hα-helixtrans-93.3-26.3-173.9-68.1178.358.1-1796.1113.7V28 L101 E102 E139V28-R143 PolarHBondContact O-NH2 2.93Å; L101-R143 HydrophobicContact CD1-CB 4.15Å; E102-R143 VanDerWaalsContact CD-NH1 3.31Å; E102-R143 IonicContact OE1-CZ 3.47Å; E102-R143 IonicContact OE1-NH1 3.9Å; E102-R143 PolarHBondContact OE1-NH1 3.09Å; E102-R143 VanDerWaalsContact OE1-NH1 3.15Å; E102-R143 IonicContact OE1-NH2 3.93Å; E102-R143 PolarHBondContact OE1-NH2 2.7Å; E102-R143 IonicContact OE2-CZ 3.31Å; E102-R143 IonicContact OE2-NH1 3.29Å; E102-R143 PolarHBondContact OE2-NH1 3.08Å; E102-R143 IonicContact OE2-NH2 3.73Å; E139-R143 WeakPolarHBondContact O-CB 3.39Å; E139-R143 PolarHBondContact O-N 2.85Å; E139-R143 IonicContact OE1-CZ 3.15Å; E139-R143 IonicContact OE1-NH1 2.73Å; E139-R143 PolarHBondContact OE1-NH1 2.9Å
144Y98.1Very high98.4Very high49 Ų4951 Ų5119%0.19223%0.232CC..SBendtrans-137.7-103.2-177.8-60.8-83.3000109.5L30 E32 I35 L101 C140 L148L30-Y144 WeakPolarHBondContact O-CE1 3.35Å; L30-Y144 PolarHBondContact O-OH 3.25Å; E32-Y144 HydrophobicContact CB-CD1 4.25Å; I35-Y144 HydrophobicContact CD1-CD1 4.43Å; I35-Y144 HydrophobicContact CD1-CD2 4.26Å; I35-Y144 HydrophobicContact CD1-CE1 3.77Å; I35-Y144 HydrophobicContact CD1-CE2 3.58Å; I35-Y144 WeakPolarHBondContact CD1-OH 3.15Å; L101-Y144 HydrophobicContact CD1-CD2 3.83Å; L101-Y144 HydrophobicContact CD1-CE2 3.76Å; C140-Y144 CarbonylContact O-C 3.59Å; C140-Y144 VanDerWaalsContact O-C 3.3Å; C140-Y144 WeakPolarHBondContact O-CA 3.48Å; C140-Y144 PolarHBondContact O-N 2.99Å; Y144-L148 VanDerWaalsContact CB-CD2 3.48Å; Y144-L148 HydrophobicContact CD1-CD2 4.09Å; Y144-L148 HydrophobicContact CD2-CD2 3.62Å; Y144-L148 HydrophobicContact CE2-CD2 4.4Å; Y144-L148 HydrophobicContact CG-CD2 3.44Å; Y144-L148 VanDerWaalsContact CG-CD2 3.44Å
145N98.1Very high98.5Very high45 Ų4548.5 Ų48.524%0.24122%0.222CC..  trans-160.8172.4178.46254.2000111.5E32 C140 K147 L148E32-N145 PolarHBondContact OE1-ND2 3.33Å; E32-N145 PolarHBondContact OE2-ND2 3.26Å; C140-N145 PolarHBondContact O-N 3.14Å; N145-K147 VanDerWaalsContact C-N 3.29Å; N145-K147 PolarHBondContact O-N 3.49Å; N145-K147 WeakPolarHBondContact OD1-CA 3.45Å; N145-K147 VanDerWaalsContact OD1-CB 3.25Å; N145-K147 WeakPolarHBondContact OD1-CB 3.36Å; N145-K147 PolarHBondContact OD1-N 3.01Å; N145-L148 PolarHBondContact O-N 3.31Å; N145-L148 PolarHBondContact OD1-N 3.03Å
146I98.5Very high98.5Very high65 Ų6547.9 Ų47.933%0.33322%0.216SC..Hα-helixtrans-67.7-28.7179.5-63167.3000112Y137 K141 L148 W149 K150Y137-I146 HydrophobicContact CE2-CG1 4.23Å; Y137-I146 HydrophobicContact CE2-CG2 4.06Å; Y137-I146 VanDerWaalsContact OH-CD1 3.28Å; Y137-I146 WeakPolarHBondContact OH-CD1 3.5Å; K141-I146 HydrophobicContact CB-CG1 4.34Å; K141-I146 HydrophobicContact CD-CD1 4.4Å; K141-I146 HydrophobicContact CD-CG1 4.33Å; K141-I146 HydrophobicContact CG-CG1 4.11Å; I146-L148 VanDerWaalsContact C-N 3.29Å; I146-L148 PolarHBondContact O-N 3.27Å; I146-W149 PolarHBondContact O-N 3.21Å; I146-K150 PolarHBondContact O-N 2.85Å; I146-K150 VanDerWaalsContact O-N 3.09Å
147K98.5Very high98.5Very high136 Ų13648.8 Ų48.859%0.59122%0.221SC*.Hα-helixtrans-66.4-34.3178.8-176.1-179.3179.1178.50111.2N145 K150 T151N145-K147 VanDerWaalsContact C-N 3.29Å; N145-K147 PolarHBondContact O-N 3.49Å; N145-K147 WeakPolarHBondContact OD1-CA 3.45Å; N145-K147 VanDerWaalsContact OD1-CB 3.25Å; N145-K147 WeakPolarHBondContact OD1-CB 3.36Å; N145-K147 PolarHBondContact OD1-N 3.01Å; K147-K150 PolarHBondContact O-N 3.38Å; K147-T151 PolarHBondContact O-N 2.93Å; K147-T151 PolarHBondContact O-OG1 3.38Å
148L98.5Very high98.6Very high1 Ų147.9 Ų47.91%0.00522%0.217CC..Hα-helixtrans-64.8-44.2173.7-170.863.9000111.5E32 I35 Y144 N145 I146 K150 T151 F152E32-L148 HydrophobicContact CG-CD1 4.36Å; I35-L148 HydrophobicContact CB-CD1 4.12Å; I35-L148 HydrophobicContact CB-CD2 4.41Å; I35-L148 HydrophobicContact CD1-CD2 4.15Å; I35-L148 HydrophobicContact CG2-CD1 3.81Å; I35-L148 HydrophobicContact CG2-CD2 4.11Å; I35-L148 HydrophobicContact CG2-CG 4.33Å; Y144-L148 VanDerWaalsContact CB-CD2 3.48Å; Y144-L148 HydrophobicContact CD1-CD2 4.09Å; Y144-L148 HydrophobicContact CD2-CD2 3.62Å; Y144-L148 HydrophobicContact CE2-CD2 4.4Å; Y144-L148 HydrophobicContact CG-CD2 3.44Å; Y144-L148 VanDerWaalsContact CG-CD2 3.44Å; N145-L148 PolarHBondContact O-N 3.31Å; N145-L148 PolarHBondContact OD1-N 3.03Å; I146-L148 VanDerWaalsContact C-N 3.29Å; I146-L148 PolarHBondContact O-N 3.27Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 3.32Å; L148-T151 WeakPolarHBondContact O-CA 3.41Å; L148-T151 VanDerWaalsContact O-CB 3.29Å; L148-T151 WeakPolarHBondContact O-CB 3.48Å; L148-T151 PolarHBondContact O-N 2.81Å; L148-F152 HydrophobicContact CD1-CE2 4.33Å; L148-F152 HydrophobicContact CD2-CE2 4.25Å; L148-F152 HydrophobicContact CG-CD2 4.18Å; L148-F152 HydrophobicContact CG-CE2 3.9Å; L148-F152 WeakPolarHBondContact O-CD2 3.46Å; L148-F152 PolarHBondContact O-N 2.97Å
149W98.8Very high98.6Very high28 Ų2844.5 Ų44.511%0.10620%0.199CC..Hα-helixtrans-57.3-45.2173.8173.377000112.1A128 N131 R132 F136 Y137 C140 I146 T151 F152 T153A128-W149 HydrophobicContact CB-CH2 4.02Å; A128-W149 HydrophobicContact CB-CZ2 3.9Å; N131-W149 PolarHBondContact OD1-NE1 2.95Å; R132-W149 HydrophobicContact CB-CZ2 4.17Å; F136-W149 AromaticContact CD1-CD1 3.85Å; Y137-W149 AromaticContact CD2-CD2 3.53Å; Y137-W149 HydrophobicContact CD2-CD2 3.53Å; Y137-W149 AromaticContact CD2-CE2 3.77Å; Y137-W149 AromaticContact CD2-CE3 3.71Å; Y137-W149 HydrophobicContact CD2-CE3 3.71Å; Y137-W149 AromaticContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CG 3.9Å; Y137-W149 HydrophobicContact CD2-CH2 4.33Å; Y137-W149 HydrophobicContact CD2-CZ2 4.17Å; Y137-W149 HydrophobicContact CD2-CZ3 4.12Å; Y137-W149 HydrophobicContact CE2-CD2 4.27Å; Y137-W149 HydrophobicContact CE2-CE3 4.01Å; Y137-W149 HydrophobicContact CE2-CZ3 4.29Å; Y137-W149 HydrophobicContact CG-CD2 4.48Å; C140-W149 HydrophobicContact CB-CB 3.74Å; I146-W149 PolarHBondContact O-N 3.21Å; W149-T151 VanDerWaalsContact C-N 3.27Å; W149-T151 PolarHBondContact O-N 3.04Å; W149-F152 WeakPolarHBondContact O-CB 3.37Å; W149-F152 PolarHBondContact O-N 3.01Å; W149-F152 VanDerWaalsContact O-N 3.08Å; W149-T153 PolarHBondContact O-N 2.84Å; W149-T153 PolarHBondContact O-OG1 2.92Å
150K98.7Very high98.6Very high124 Ų12444 Ų4454%0.53920%0.197SC..Hα-helixtrans-59.7-37.1174.4-67.5-176.1177.1-172.70112.7I146 K147 L148 F152 T153 D154I146-K150 PolarHBondContact O-N 2.85Å; I146-K150 VanDerWaalsContact O-N 3.09Å; K147-K150 PolarHBondContact O-N 3.38Å; L148-K150 VanDerWaalsContact C-N 3.34Å; L148-K150 PolarHBondContact O-N 3.32Å; K150-F152 VanDerWaalsContact C-N 3.33Å; K150-T153 WeakPolarHBondContact O-CB 3.38Å; K150-T153 PolarHBondContact O-N 2.92Å; K150-D154 PolarHBondContact O-N 3.08Å
151T98.8Very high98.6Very high19 Ų1944.1 Ų44.112%0.11720%0.197CC..Hα-helixtrans-64.2-39.9175.4-51.30000111R36 A39 K147 L148 W149 D154 C155R36-T151 HydrophobicContact CG-CG2 3.85Å; A39-T151 HydrophobicContact CB-CG2 3.79Å; K147-T151 PolarHBondContact O-N 2.93Å; K147-T151 PolarHBondContact O-OG1 3.38Å; L148-T151 WeakPolarHBondContact O-CA 3.41Å; L148-T151 VanDerWaalsContact O-CB 3.29Å; L148-T151 WeakPolarHBondContact O-CB 3.48Å; L148-T151 PolarHBondContact O-N 2.81Å; W149-T151 VanDerWaalsContact C-N 3.27Å; W149-T151 PolarHBondContact O-N 3.04Å; T151-D154 PolarHBondContact O-N 2.89Å; T151-C155 PolarHBondContact O-N 2.82Å; T151-C155 VanDerWaalsContact O-N 3.14Å
152F98.8Very high98.6Very high0 Ų038.7 Ų38.70%017%0.174CC..Hα-helixtrans-65-42.4172.6-79.5-68.7000112I35 L101 I104 L108 F136 L148 W149 K150 D154 C155 F156I35-F152 HydrophobicContact CG2-CE1 4.23Å; I35-F152 HydrophobicContact CG2-CE2 3.63Å; I35-F152 HydrophobicContact CG2-CZ 3.26Å; L101-F152 HydrophobicContact CD2-CE2 3.54Å; L101-F152 HydrophobicContact CD2-CZ 3.91Å; I104-F152 HydrophobicContact CG1-CD1 4.48Å; I104-F152 HydrophobicContact CG1-CE1 4.2Å; I104-F152 HydrophobicContact CG2-CD1 4.32Å; I104-F152 HydrophobicContact CG2-CE1 3.58Å; I104-F152 HydrophobicContact CG2-CZ 3.85Å; L108-F152 HydrophobicContact CD1-CE1 4.12Å; F136-F152 HydrophobicContact CE1-CB 3.7Å; F136-F152 HydrophobicContact CE1-CD1 4.5Å; F136-F152 AromaticContact CE1-CD2 3.93Å; F136-F152 HydrophobicContact CE1-CD2 3.93Å; F136-F152 AromaticContact CE1-CG 3.82Å; F136-F152 HydrophobicContact CE1-CG 3.82Å; F136-F152 HydrophobicContact CZ-CB 4.08Å; F136-F152 HydrophobicContact CZ-CD1 4.1Å; F136-F152 AromaticContact CZ-CD2 3.53Å; F136-F152 HydrophobicContact CZ-CD2 3.53Å; F136-F152 HydrophobicContact CZ-CE1 4.38Å; F136-F152 AromaticContact CZ-CE2 3.84Å; F136-F152 HydrophobicContact CZ-CE2 3.84Å; F136-F152 AromaticContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CG 3.66Å; F136-F152 HydrophobicContact CZ-CZ 4.24Å; L148-F152 HydrophobicContact CD1-CE2 4.33Å; L148-F152 HydrophobicContact CD2-CE2 4.25Å; L148-F152 HydrophobicContact CG-CD2 4.18Å; L148-F152 HydrophobicContact CG-CE2 3.9Å; L148-F152 WeakPolarHBondContact O-CD2 3.46Å; L148-F152 PolarHBondContact O-N 2.97Å; W149-F152 WeakPolarHBondContact O-CB 3.37Å; W149-F152 PolarHBondContact O-N 3.01Å; W149-F152 VanDerWaalsContact O-N 3.08Å; K150-F152 VanDerWaalsContact C-N 3.33Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3Å; F152-C155 CarbonylContact O-C 3.59Å; F152-C155 WeakPolarHBondContact O-CA 3.49Å; F152-C155 WeakPolarHBondContact O-CB 3.38Å; F152-C155 PolarHBondContact O-N 2.89Å; F152-F156 HydrophobicContact CB-CE2 4.1Å; F152-F156 HydrophobicContact CB-CZ 4.16Å; F152-F156 HydrophobicContact CD1-CE1 4.33Å; F152-F156 HydrophobicContact CD1-CZ 4.18Å; F152-F156 WeakPolarHBondContact O-CB 3.41Å; F152-F156 WeakPolarHBondContact O-CG 3.32Å; F152-F156 PolarHBondContact O-N 3.14Å
153T98.8Very high98.7Very high16 Ų1630.7 Ų30.710%0.09814%0.144CC..Hα-helixtrans-54.7-46.1173.2-56.40000111.6A128 W149 K150 C155 F156 N157A128-T153 HydrophobicContact CB-CG2 3.82Å; W149-T153 PolarHBondContact O-N 2.84Å; W149-T153 PolarHBondContact O-OG1 2.92Å; K150-T153 WeakPolarHBondContact O-CB 3.38Å; K150-T153 PolarHBondContact O-N 2.92Å; T153-C155 PolarHBondContact O-N 2.74Å; T153-F156 PolarHBondContact O-N 3.39Å; T153-N157 WeakPolarHBondContact O-CB 3.41Å; T153-N157 PolarHBondContact O-N 2.85Å; T153-N157 PolarHBondContact O-ND2 2.91Å
154D98.8Very high98.7Very high89 Ų8929.5 Ų29.548%0.47614%0.14SC..Hα-helixtrans-63-31.2177.9-68.3-25.4000112.9R43 K150 T151 F152R43-D154 WeakPolarHBondContact CD-O 3.25Å; R43-D154 PolarHBondContact NE-O 3.35Å; K150-D154 PolarHBondContact O-N 3.08Å; T151-D154 PolarHBondContact O-N 2.89Å; F152-D154 VanDerWaalsContact C-N 3.3Å; F152-D154 PolarHBondContact O-N 3Å
155C98.9Very high98.8Very high1 Ų127.1 Ų27.11%0.00713%0.131CC..Hα-helixtrans-73.3-48.5174.1-1760000111.4A39 S42 R43 T151 F152 T153 N157 C158A39-C155 HydrophobicContact CB-CB 4.16Å; A39-C155 PolarHBondContact O-SG 2.69Å; A39-C155 VanDerWaalsContact O-SG 3.38Å; S42-C155 PolarHBondContact OG-SG 3.27Å; R43-C155 HydrophobicContact CB-CB 4.47Å; T151-C155 PolarHBondContact O-N 2.82Å; T151-C155 VanDerWaalsContact O-N 3.14Å; F152-C155 CarbonylContact O-C 3.59Å; F152-C155 WeakPolarHBondContact O-CA 3.49Å; F152-C155 WeakPolarHBondContact O-CB 3.38Å; F152-C155 PolarHBondContact O-N 2.89Å; T153-C155 PolarHBondContact O-N 2.74Å; C155-N157 VanDerWaalsContact C-N 3.31Å; C155-N157 PolarHBondContact O-N 2.78Å; C155-C158 WeakPolarHBondContact O-CB 3.28Å; C155-C158 PolarHBondContact O-N 2.81Å
156F98.9Very high98.8Very high1 Ų127.7 Ų27.70%0.00413%0.134CC..Hα-helixtrans-61.8-36.9-180-66-17.7000112.8V94 I104 R122 E126 F136 F152 T153 C158 L159V94-F156 HydrophobicContact CG1-CE2 4.47Å; V94-F156 HydrophobicContact CG1-CZ 3.96Å; V94-F156 HydrophobicContact CG2-CE2 4.32Å; I104-F156 HydrophobicContact CD1-CE1 3.85Å; I104-F156 HydrophobicContact CD1-CZ 4.39Å; I104-F156 HydrophobicContact CG1-CE1 3.77Å; I104-F156 HydrophobicContact CG1-CZ 4.01Å; R122-F156 PolarHBondContact NE-O 3.35Å; E126-F156 HydrophobicContact CB-CB 4Å; E126-F156 HydrophobicContact CB-CD1 4.31Å; E126-F156 HydrophobicContact CB-CD2 4.12Å; E126-F156 HydrophobicContact CB-CG 3.9Å; E126-F156 HydrophobicContact CG-CD1 3.92Å; E126-F156 HydrophobicContact CG-CD2 4.18Å; E126-F156 HydrophobicContact CG-CE1 4.09Å; E126-F156 HydrophobicContact CG-CE2 4.33Å; E126-F156 HydrophobicContact CG-CG 3.97Å; E126-F156 HydrophobicContact CG-CZ 4.29Å; E126-F156 WeakPolarHBondContact O-CB 3.41Å; F136-F156 HydrophobicContact CD1-CE2 4.17Å; F136-F156 AromaticContact CE1-CE2 3.72Å; F136-F156 HydrophobicContact CE1-CE2 3.72Å; F136-F156 AromaticContact CE1-CZ 3.94Å; F136-F156 HydrophobicContact CE1-CZ 3.94Å; F136-F156 HydrophobicContact CZ-CZ 4.31Å; F152-F156 HydrophobicContact CB-CE2 4.1Å; F152-F156 HydrophobicContact CB-CZ 4.16Å; F152-F156 HydrophobicContact CD1-CE1 4.33Å; F152-F156 HydrophobicContact CD1-CZ 4.18Å; F152-F156 WeakPolarHBondContact O-CB 3.41Å; F152-F156 WeakPolarHBondContact O-CG 3.32Å; F152-F156 PolarHBondContact O-N 3.14Å; T153-F156 PolarHBondContact O-N 3.39Å; F156-C158 PolarHBondContact O-N 3.29Å; F156-L159 HydrophobicContact CB-CD1 4.37Å; F156-L159 HydrophobicContact CD1-CD1 4.02Å; F156-L159 WeakPolarHBondContact O-CB 3.42Å; F156-L159 PolarHBondContact O-N 2.94Å
157N98.9Very high98.8Very high20 Ų2032.2 Ų32.211%0.10715%0.154CC..THydrogen-bonded Turntrans-61-12.6174-73.3-10.4000113.6R122 T153 C155 P192 T193R122-N157 PolarHBondContact NH2-OD1 3.2Å; T153-N157 WeakPolarHBondContact O-CB 3.41Å; T153-N157 PolarHBondContact O-N 2.85Å; T153-N157 PolarHBondContact O-ND2 2.91Å; C155-N157 VanDerWaalsContact C-N 3.31Å; C155-N157 PolarHBondContact O-N 2.78Å; N157-P192 HydrophobicContact CB-CB 3.81Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.08Å; N157-T193 WeakPolarHBondContact CA-O 3.27Å; N157-T193 WeakPolarHBondContact CB-O 3.24Å; N157-T193 VanDerWaalsContact CG-O 3.28Å; N157-T193 PolarHBondContact O-N 3.09Å; N157-T193 PolarHBondContact OD1-O 3.45Å; N157-T193 VanDerWaalsContact OD1-O 3.14Å
158C98.9Very high98.8Very high0 Ų028.9 Ų28.90%014%0.139CC..THydrogen-bonded Turntrans-104.5-3177.2-63.90000114.1R43 F46 L47 C155 F156 R191R43-C158 HydrophobicContact CG-CB 3.95Å; R43-C158 VanDerWaalsContact CG-SG 3.58Å; F46-C158 HydrophobicContact CB-CB 4.25Å; F46-C158 VanDerWaalsContact CB-O 3.23Å; F46-C158 WeakPolarHBondContact CB-O 3.41Å; L47-C158 HydrophobicContact CD2-CB 4.1Å; L47-C158 HydrophobicContact CG-CB 4.01Å; C155-C158 WeakPolarHBondContact O-CB 3.28Å; C155-C158 PolarHBondContact O-N 2.81Å; F156-C158 PolarHBondContact O-N 3.29Å; C158-R191 WeakPolarHBondContact O-CD 3.37Å; C158-R191 PolarHBondContact O-NH1 2.83Å
159L98.9Very high98.8Very high2 Ų229.1 Ų29.11%0.0114%0.14CC..  trans-60.7144.6179-76.4164.9000111.7F46 Y93 L120 R122 E126 F156 R191F46-L159 HydrophobicContact CD1-CD2 4.2Å; F46-L159 HydrophobicContact CD2-CD2 4.09Å; F46-L159 HydrophobicContact CE1-CD2 3.72Å; F46-L159 HydrophobicContact CE2-CD2 3.62Å; F46-L159 HydrophobicContact CE2-CG 4.38Å; F46-L159 HydrophobicContact CG-CD2 4.39Å; F46-L159 HydrophobicContact CZ-CD2 3.41Å; F46-L159 VanDerWaalsContact CZ-CD2 3.41Å; Y93-L159 HydrophobicContact CE2-CD1 4.3Å; L120-L159 HydrophobicContact CB-CD2 4.04Å; R122-L159 HydrophobicContact CB-CB 3.75Å; R122-L159 HydrophobicContact CB-CD1 4.32Å; R122-L159 HydrophobicContact CG-CB 4.1Å; R122-L159 HydrophobicContact CG-CD1 4.17Å; E126-L159 HydrophobicContact CB-CD1 3.93Å; E126-L159 HydrophobicContact CG-CD1 3.8Å; F156-L159 HydrophobicContact CB-CD1 4.37Å; F156-L159 HydrophobicContact CD1-CD1 4.02Å; F156-L159 WeakPolarHBondContact O-CB 3.42Å; F156-L159 PolarHBondContact O-N 2.94Å; L159-R191 WeakPolarHBondContact O-CD 3.23Å
160P98.9Very high98.8Very high2 Ų227.8 Ų27.81%0.01314%0.135CC..  trans-65.1155.4166.729.6-32.8000110.5I51 L53 L120 L121 R122I51-P160 CarbonylContact O-C 3.59Å; I51-P160 WeakPolarHBondContact O-CA 3.21Å; I51-P160 VanDerWaalsContact O-CB 3.24Å; I51-P160 WeakPolarHBondContact O-CB 3.48Å; L53-P160 HydrophobicContact CD1-CB 4.13Å; L53-P160 HydrophobicContact CD1-CG 3.79Å; L53-P160 HydrophobicContact CD2-CB 4.25Å; L53-P160 HydrophobicContact CD2-CG 4.38Å; L53-P160 HydrophobicContact CG-CB 3.88Å; L53-P160 HydrophobicContact CG-CG 4.08Å; L120-P160 VanDerWaalsContact O-CD 3.25Å; L120-P160 WeakPolarHBondContact O-CD 3.15Å; L120-P160 WeakPolarHBondContact O-CG 3.25Å; L121-P160 CarbonylContact C-O 3.44Å; L121-P160 WeakPolarHBondContact CA-O 3.5Å; L121-P160 HydrophobicContact CD2-CB 4.28Å; L121-P160 HydrophobicContact CD2-CG 4.11Å; R122-P160 PolarHBondContact N-O 3.47Å
161I98.9Very high98.8Very high1 Ų121.9 Ų21.91%0.00511%0.11CC..  trans-105.2-35.8-171.1-54.8-56000111.5I51 R122 L201 L204I51-I161 HydrophobicContact CD1-CG1 3.68Å; I51-I161 HydrophobicContact CG1-CB 4.37Å; I51-I161 HydrophobicContact CG1-CG1 3.76Å; I51-I161 PolarHBondContact O-N 3.11Å; R122-I161 HydrophobicContact CB-CD1 3.66Å; R122-I161 HydrophobicContact CG-CD1 4.29Å; I161-L201 HydrophobicContact CB-CD1 4.41Å; I161-L201 HydrophobicContact CD1-CD1 3.53Å; I161-L201 HydrophobicContact CG1-CD1 3.67Å; I161-L201 HydrophobicContact CG2-CD1 3.83Å; I161-L204 HydrophobicContact CG2-CB 3.9Å; I161-L204 HydrophobicContact CG2-CD1 3.8Å; I161-L204 HydrophobicContact CG2-CG 4.47Å
162V98.9Very high98.8Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-133.9150.6-175.3171.10000109.5I51 L52 L53 F170 C171 C172 I186 L204I51-V162 PolarHBondContact O-N 3.38Å; L52-V162 CarbonylContact C-O 3.6Å; L52-V162 WeakPolarHBondContact CA-O 3.32Å; L52-V162 HydrophobicContact CD1-CG1 4.45Å; L52-V162 HydrophobicContact CG-CB 4.39Å; L52-V162 HydrophobicContact CG-CG1 4.19Å; L53-V162 PolarHBondContact N-O 3.28Å; V162-F170 HydrophobicContact CB-CE2 4.47Å; V162-F170 HydrophobicContact CB-CZ 4.49Å; V162-F170 HydrophobicContact CG1-CD2 3.82Å; V162-F170 HydrophobicContact CG1-CE1 4.46Å; V162-F170 HydrophobicContact CG1-CE2 3.38Å; V162-F170 HydrophobicContact CG1-CZ 3.74Å; V162-F170 HydrophobicContact CG2-CE2 4.27Å; V162-F170 HydrophobicContact CG2-CZ 3.86Å; V162-C171 CarbonylContact C-O 3.54Å; V162-C171 VanDerWaalsContact CA-O 3.25Å; V162-C171 WeakPolarHBondContact CA-O 3.25Å; V162-C171 WeakPolarHBondContact CG1-O 3.19Å; V162-C172 HydrophobicContact CG2-CB 4.04Å; V162-I186 HydrophobicContact CB-CD1 4.46Å; V162-I186 HydrophobicContact CB-CG2 4.39Å; V162-I186 HydrophobicContact CG2-CD1 3.96Å; V162-I186 HydrophobicContact CG2-CG2 4.3Å; V162-L204 HydrophobicContact CG2-CD1 4.26Å; V162-L204 HydrophobicContact CG2-CD2 3.98Å
163A98.9Very high98.8Very high0 Ų021 Ų210%010%0.104CC..EExtended strand (participates in β ladder)trans-124.1150.5160.800000110.3L53 L55 L88 L121 C171L53-A163 HydrophobicContact CB-CB 3.88Å; L53-A163 CarbonylContact O-C 3.54Å; L53-A163 VanDerWaalsContact O-CA 3.23Å; L53-A163 WeakPolarHBondContact O-CA 3.38Å; L55-A163 HydrophobicContact CD1-CB 3.78Å; L55-A163 HydrophobicContact CG-CB 4.27Å; L88-A163 HydrophobicContact CD1-CB 4.09Å; L88-A163 HydrophobicContact CD2-CB 3.85Å; L121-A163 HydrophobicContact CD1-CB 4.39Å; L121-A163 HydrophobicContact CD2-CB 4.2Å; A163-C171 HydrophobicContact CB-CB 4.12Å; A163-C171 PolarHBondContact N-O 2.97Å; A163-C171 WeakPolarHBondContact O-CA 3.24Å; A163-C171 WeakPolarHBondContact O-CB 3.36Å; A163-C171 PolarHBondContact O-N 3.25Å
164I98.9Very high98.8Very high20 Ų2020.2 Ų20.210%0.10310%0.1CC..EExtended strand (participates in β ladder)trans-118.1123.3166-59.9-179.5000107.2L52 L53 L55 I169 F170 M183 L241L52-I164 HydrophobicContact CD1-CD1 4.35Å; L52-I164 HydrophobicContact CD2-CD1 4.09Å; L52-I164 HydrophobicContact CD2-CG1 4.17Å; L53-I164 PolarHBondContact O-N 3.35Å; L55-I164 PolarHBondContact N-O 3.31Å; I164-I169 CarbonylContact C-O 3.49Å; I164-I169 VanDerWaalsContact CA-O 3.29Å; I164-I169 WeakPolarHBondContact CA-O 3.34Å; I164-F170 HydrophobicContact CG1-CD2 4.27Å; I164-M183 HydrophobicContact CD1-CE 4.37Å; I164-M183 HydrophobicContact CD1-CG 4.29Å; I164-M183 HydrophobicContact CD1-SD 4.08Å; I164-L241 HydrophobicContact CG2-CD2 4.16Å
165V98.8Very high98.8Very high0 Ų016 Ų160%08%0.077CC..EExtended strand (participates in β ladder)trans-97.9123.9177.3-177.90000109.3L55 A57 L59 I61 E167 K168 I169 L289L55-V165 HydrophobicContact CB-CG2 4.37Å; L55-V165 CarbonylContact O-C 3.54Å; L55-V165 WeakPolarHBondContact O-CA 3.15Å; A57-V165 HydrophobicContact CB-CG1 4.48Å; L59-V165 HydrophobicContact CD1-CG2 4.13Å; L59-V165 HydrophobicContact CD2-CB 4.36Å; L59-V165 HydrophobicContact CD2-CG1 3.43Å; L59-V165 VanDerWaalsContact CD2-CG1 3.43Å; L59-V165 HydrophobicContact CD2-CG2 3.97Å; I61-V165 HydrophobicContact CD1-CG2 4.33Å; V165-E167 PolarHBondContact O-N 2.87Å; V165-K168 PolarHBondContact O-N 2.9Å; V165-I169 HydrophobicContact CB-CB 4.1Å; V165-I169 PolarHBondContact N-O 3.13Å; V165-I169 PolarHBondContact O-N 2.86Å; V165-L289 HydrophobicContact CG1-CD2 4.49Å
166D98.4Very high98.8Very high56 Ų5616 Ų1630%0.2998%0.077SC..THydrogen-bonded Turntrans4637.9178.8-68.6-66.7000113.2L55 A57 K168 L289L55-D166 PolarHBondContact O-N 2.69Å; A57-D166 WeakPolarHBondContact CB-OD2 3.39Å; A57-D166 PolarHBondContact N-OD2 3.23Å; D166-K168 WeakPolarHBondContact O-CG 3.14Å; D166-K168 PolarHBondContact O-N 3.07Å; D166-L289 HydrophobicContact CB-CD1 4.03Å; D166-L289 HydrophobicContact CB-CD2 3.66Å; D166-L289 HydrophobicContact CB-CG 4.22Å
167E98.2Very high98.8Very high161 Ų16116.2 Ų16.275%0.7528%0.078SC*.THydrogen-bonded Turntrans57.612.5-177.6-54.3-179.8175.200114.8V165 L241V165-E167 PolarHBondContact O-N 2.87Å; E167-L241 WeakPolarHBondContact O-CD2 3.24Å
168K98.5Very high98.8Very high66 Ų6617 Ų1729%0.2879%0.085SC..THydrogen-bonded Turntrans-123.6-31.2-172.5-68.2-51.6179.9-179.70115.4V165 D166 E240 D242 L243 L289V165-K168 PolarHBondContact O-N 2.9Å; D166-K168 WeakPolarHBondContact O-CG 3.14Å; D166-K168 PolarHBondContact O-N 3.07Å; K168-E240 PolarHBondContact NZ-O 3.16Å; K168-D242 HydrophobicContact CB-CB 4.43Å; K168-D242 WeakPolarHBondContact CD-OD2 3.42Å; K168-D242 PolarHBondContact O-N 3.46Å; K168-L243 PolarHBondContact O-N 2.85Å; K168-L289 HydrophobicContact CB-CD1 3.93Å; K168-L289 HydrophobicContact CG-CD1 3.76Å
169I98.8Very high98.7Very high5 Ų520.5 Ų20.53%0.02610%0.104CC..EExtended strand (participates in β ladder)trans-112.2112.9-177.8-46.3176.7000109.6I164 V165 L243 C245 V285 L289I164-I169 CarbonylContact C-O 3.49Å; I164-I169 VanDerWaalsContact CA-O 3.29Å; I164-I169 WeakPolarHBondContact CA-O 3.34Å; V165-I169 HydrophobicContact CB-CB 4.1Å; V165-I169 PolarHBondContact N-O 3.13Å; V165-I169 PolarHBondContact O-N 2.86Å; I169-L243 CarbonylContact C-O 3.52Å; I169-L243 WeakPolarHBondContact CA-O 3.39Å; I169-L243 HydrophobicContact CD1-CD2 4.39Å; I169-L243 HydrophobicContact CG1-CB 4.32Å; I169-L243 HydrophobicContact CG1-CD2 4.48Å; I169-L243 HydrophobicContact CG2-CB 4.14Å; I169-L243 HydrophobicContact CG2-CD2 3.99Å; I169-L243 HydrophobicContact CG2-CG 4.11Å; I169-C245 HydrophobicContact CG2-CB 3.79Å; I169-V285 HydrophobicContact CD1-CG1 3.98Å; I169-V285 HydrophobicContact CD1-CG2 4.03Å; I169-L289 HydrophobicContact CD1-CD2 4.29Å
170F98.9Very high98.7Very high0 Ų021 Ų210%011%0.106CC..EExtended strand (participates in β ladder)trans-85.5119.7173.5178.8-87.5000110.4V162 I164 C172 L176 L180 M183 I186 L204 F235 L241 L243 I244 C245V162-F170 HydrophobicContact CB-CE2 4.47Å; V162-F170 HydrophobicContact CB-CZ 4.49Å; V162-F170 HydrophobicContact CG1-CD2 3.82Å; V162-F170 HydrophobicContact CG1-CE1 4.46Å; V162-F170 HydrophobicContact CG1-CE2 3.38Å; V162-F170 HydrophobicContact CG1-CZ 3.74Å; V162-F170 HydrophobicContact CG2-CE2 4.27Å; V162-F170 HydrophobicContact CG2-CZ 3.86Å; I164-F170 HydrophobicContact CG1-CD2 4.27Å; F170-C172 HydrophobicContact CE1-CB 3.97Å; F170-L176 HydrophobicContact CE1-CD2 4.34Å; F170-L180 HydrophobicContact CE2-CD2 4.44Å; F170-L180 HydrophobicContact CZ-CD2 4.1Å; F170-M183 HydrophobicContact CD2-CE 3.74Å; F170-M183 HydrophobicContact CD2-SD 4.11Å; F170-M183 HydrophobicContact CE2-CE 3.84Å; F170-M183 HydrophobicContact CE2-SD 3.77Å; F170-I186 HydrophobicContact CE2-CD1 4.14Å; F170-I186 HydrophobicContact CZ-CD1 4.31Å; F170-L204 HydrophobicContact CE1-CD2 4.48Å; F170-L204 HydrophobicContact CZ-CD2 3.98Å; F170-F235 HydrophobicContact CB-CE1 4.3Å; F170-F235 HydrophobicContact CD1-CE1 4.25Å; F170-F235 HydrophobicContact CD1-CZ 4.43Å; F170-F235 HydrophobicContact CD2-CE1 4.23Å; F170-F235 AromaticContact CD2-CZ 3.97Å; F170-F235 HydrophobicContact CD2-CZ 3.97Å; F170-F235 HydrophobicContact CE1-CZ 4.46Å; F170-F235 AromaticContact CE2-CZ 3.99Å; F170-F235 HydrophobicContact CE2-CZ 3.99Å; F170-F235 HydrophobicContact CG-CE1 4.02Å; F170-F235 HydrophobicContact CG-CZ 4.19Å; F170-F235 HydrophobicContact CZ-CZ 4.25Å; F170-L241 HydrophobicContact CB-CD1 3.75Å; F170-L241 HydrophobicContact CD2-CD1 4.46Å; F170-L241 HydrophobicContact CG-CD1 4.45Å; F170-L243 PolarHBondContact N-O 3.49Å; F170-I244 HydrophobicContact CD1-CG2 4.36Å; F170-I244 CarbonylContact O-C 3.48Å; F170-I244 WeakPolarHBondContact O-CA 3.49Å; F170-C245 PolarHBondContact O-N 2.9Å
171C99Very high98.5Very high0 Ų027.4 Ų27.40%014%0.136CC..EExtended strand (participates in β ladder)trans-114.4125.2-174.9-61.70000111.1L88 L90 L121 V162 A163 C245L88-C171 HydrophobicContact CD2-CB 3.77Å; L90-C171 HydrophobicContact CD2-CB 3.9Å; L121-C171 HydrophobicContact CD1-CB 4.27Å; L121-C171 WeakPolarHBondContact CD1-O 3.34Å; V162-C171 CarbonylContact C-O 3.54Å; V162-C171 VanDerWaalsContact CA-O 3.25Å; V162-C171 WeakPolarHBondContact CA-O 3.25Å; V162-C171 WeakPolarHBondContact CG1-O 3.19Å; A163-C171 HydrophobicContact CB-CB 4.12Å; A163-C171 PolarHBondContact N-O 2.97Å; A163-C171 WeakPolarHBondContact O-CA 3.24Å; A163-C171 WeakPolarHBondContact O-CB 3.36Å; A163-C171 PolarHBondContact O-N 3.25Å; C171-C245 VanDerWaalsContact CA-O 3.27Å; C171-C245 WeakPolarHBondContact CA-O 3.15Å
172C98.9Very high98.5Very high0 Ų030 Ų300%015%0.154CC..  trans-148.9173173.165.60000109.8V162 F170 G175 C245 R246V162-C172 HydrophobicContact CG2-CB 4.04Å; F170-C172 HydrophobicContact CE1-CB 3.97Å; C172-G175 VanDerWaalsContact SG-CA 3.58Å; C172-C245 PolarHBondContact N-O 2.93Å; C172-R246 VanDerWaalsContact O-CA 3.27Å; C172-R246 WeakPolarHBondContact O-CA 3.5Å
173H98.9Very high98.4Very high0 Ų030.8 Ų30.80%016%0.158CC..SBendtrans-77-60177.3-175.168.1000111.8D64 L90 D92 R122 G123 N124 L205 R246 A247 H248D64-H173 IonicContact OD1-CE1 3.05Å; D64-H173 PolarHBondContact OD1-CE1 2.9Å; D64-H173 VanDerWaalsContact OD1-CE1 3.29Å; D64-H173 IonicContact OD1-ND1 3.68Å; D64-H173 IonicContact OD2-CE1 3.35Å; L90-H173 WeakPolarHBondContact O-CA 3.49Å; L90-H173 WeakPolarHBondContact O-CB 3.23Å; L90-H173 PolarHBondContact O-ND1 3.03Å; D92-H173 VanDerWaalsContact CG-NE2 3.34Å; D92-H173 IonicContact OD1-CE1 2.7Å; D92-H173 IonicContact OD1-NE2 2.73Å; D92-H173 PolarHBondContact OD1-NE2 2.9Å; D92-H173 IonicContact OD2-CE1 3.66Å; D92-H173 PolarHBondContact OD2-CE1 2.96Å; D92-H173 IonicContact OD2-NE2 3.97Å; D92-H173 PolarHBondContact OD2-NE2 2.77Å; R122-H173 WeakPolarHBondContact O-CB 3.29Å; G123-H173 VanDerWaalsContact CA-CG 3.44Å; N124-H173 PolarHBondContact N-CD2 3.18Å; N124-H173 PolarHBondContact OD1-CD2 2.97Å; N124-H173 PolarHBondContact OD1-NE2 3.09Å; H173-L205 HydrophobicContact CB-CD2 4.2Å; H173-L205 PolarHBondContact CD2-O 2.7Å; H173-R246 PolarHBondContact O-NE 3.41Å; H173-A247 PolarHBondContact O-N 3.46Å; H173-H248 AromaticContact CD2-CG 3.95Å; H173-H248 AromaticContact CD2-ND1 3.61Å; H173-H248 WeakPolarHBondContact NE2-CB 3.26Å; H173-H248 AromaticContact NE2-CG 3.57Å; H173-H248 AromaticContact NE2-ND1 3.08Å; H173-H248 PolarHBondContact NE2-ND1 3.05Å
174G98.8Very high98.4Very high0 Ų034.3 Ų34.30%017%0.174CC..SBendtrans-79.9-92.2-178.500000110.8L204 S207 R246G174-L204 WeakPolarHBondContact CA-O 3.29Å; G174-L204 PolarHBondContact N-O 3.36Å; G174-S207 CarbonylContact C-O 3.5Å; G174-R246 WeakPolarHBondContact O-CB 3.39Å; G174-R246 PolarHBondContact O-NE 2.82Å; G174-R246 PolarHBondContact O-NH2 2.76Å
175G98.7Very high98.4Very high0 Ų036.5 Ų36.50%018%0.184CC..  trans-177.9-143.3-174.900000112.5C172 L204 S207C172-G175 VanDerWaalsContact SG-CA 3.58Å; G175-L204 PolarHBondContact N-O 3.1Å; G175-S207 WeakPolarHBondContact CA-OG 3.11Å; G175-S207 PolarHBondContact N-OG 3.06Å; G175-S207 VanDerWaalsContact N-OG 3.13Å
176L98.7Very high98.4Very high2 Ų236.5 Ų36.51%0.0118%0.184CC..  trans-84.7160.5-176.7-60.1-179.3000111.7F170 S207 W216 F227 I231 V232 F235 I244F170-L176 HydrophobicContact CE1-CD2 4.34Å; L176-S207 PolarHBondContact N-OG 2.85Å; L176-S207 VanDerWaalsContact N-OG 3.14Å; L176-S207 VanDerWaalsContact O-CB 3.28Å; L176-S207 WeakPolarHBondContact O-CB 3.3Å; L176-S207 PolarHBondContact O-OG 3.45Å; L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 HydrophobicContact CB-CZ3 4.49Å; L176-F227 HydrophobicContact CB-CD1 4.38Å; L176-F227 HydrophobicContact CB-CE1 4.4Å; L176-F227 HydrophobicContact CB-CG 4.48Å; L176-F227 HydrophobicContact CB-CZ 4.49Å; L176-F227 HydrophobicContact CD1-CD2 4.28Å; L176-F227 HydrophobicContact CD1-CE2 4.28Å; L176-F227 HydrophobicContact CG-CE2 4.27Å; L176-F227 HydrophobicContact CG-CZ 4.4Å; L176-I231 HydrophobicContact CD1-CG2 3.86Å; L176-V232 HydrophobicContact CD1-CG2 4.43Å; L176-F235 HydrophobicContact CD1-CB 3.77Å; L176-F235 HydrophobicContact CD1-CD1 4.26Å; L176-F235 HydrophobicContact CD1-CD2 4.48Å; L176-F235 HydrophobicContact CD1-CG 3.92Å; L176-F235 HydrophobicContact CD2-CD1 3.69Å; L176-F235 HydrophobicContact CD2-CD2 3.87Å; L176-F235 HydrophobicContact CD2-CE1 3.69Å; L176-F235 HydrophobicContact CD2-CE2 3.89Å; L176-F235 HydrophobicContact CD2-CG 3.75Å; L176-F235 HydrophobicContact CD2-CZ 3.77Å; L176-F235 HydrophobicContact CG-CG 4.5Å; L176-I244 HydrophobicContact CD1-CD1 3.72Å; L176-I244 HydrophobicContact CD2-CD1 3.82Å; L176-I244 HydrophobicContact CG-CD1 3.93Å
177S98.8Very high98.4Very high5 Ų538.8 Ų38.84%0.03519%0.188CC..  trans-121.5142173.6178.40000110.3D179 L180 D203 W216S177-D179 PolarHBondContact O-N 3.43Å; S177-D179 WeakPolarHBondContact OG-CB 3.41Å; S177-D179 PolarHBondContact OG-N 3.07Å; S177-L180 PolarHBondContact O-N 3.29Å; S177-L180 VanDerWaalsContact O-N 3.1Å; S177-D203 VanDerWaalsContact CB-CB 3.49Å; S177-D203 WeakPolarHBondContact CB-OD2 3.35Å; S177-D203 PolarHBondContact OG-OD2 3.05Å; S177-W216 VanDerWaalsContact C-CZ2 3.43Å
178P98.3Very high98.4Very high37 Ų3739.6 Ų39.624%0.2419%0.185CC..THydrogen-bonded Turntrans-61.3-23.3167.426.6-34.1000111.9H181 W216 Y225P178-H181 PolarHBondContact O-CE1 2.84Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.05Å; P178-W216 HydrophobicContact CB-CG 4.45Å; P178-W216 HydrophobicContact CB-CZ2 4Å; P178-W216 HydrophobicContact CG-CD2 4.44Å; P178-W216 HydrophobicContact CG-CE3 4.5Å; P178-W216 VanDerWaalsContact N-CZ2 3.26Å; P178-Y225 HydrophobicContact CG-CD2 3.85Å; P178-Y225 HydrophobicContact CG-CE2 3.72Å
179D98.1Very high98.4Very high74 Ų7438 Ų3840%0.39618%0.179SC..THydrogen-bonded Turntrans-84.4-7.4177.6-61.3-22.2000112.9S177 H181 Q185 G199 L200S177-D179 PolarHBondContact O-N 3.43Å; S177-D179 WeakPolarHBondContact OG-CB 3.41Å; S177-D179 PolarHBondContact OG-N 3.07Å; D179-H181 PolarHBondContact O-N 3.25Å; D179-Q185 PolarHBondContact O-NE2 3.45Å; D179-Q185 PolarHBondContact O-OE1 2.8Å; D179-G199 WeakPolarHBondContact OD2-CA 3.47Å; D179-L200 HydrophobicContact CB-CB 4.24Å; D179-L200 PolarHBondContact OD2-N 3.29Å
180L98.3Very high98.4Very high11 Ų1145 Ų456%0.05821%0.214CC..  trans-86.7100.4-179.5-177.158.5000111F170 S177 I186 L200 L204 F235F170-L180 HydrophobicContact CE2-CD2 4.44Å; F170-L180 HydrophobicContact CZ-CD2 4.1Å; S177-L180 PolarHBondContact O-N 3.29Å; S177-L180 VanDerWaalsContact O-N 3.1Å; L180-I186 HydrophobicContact CD1-CD1 3.73Å; L180-I186 HydrophobicContact CD1-CG1 3.8Å; L180-I186 HydrophobicContact CD2-CD1 4.16Å; L180-L200 HydrophobicContact CB-CD1 3.74Å; L180-L200 HydrophobicContact CD1-CD1 4.11Å; L180-L200 HydrophobicContact CG-CD1 4.39Å; L180-L204 HydrophobicContact CD2-CD2 4.28Å; L180-F235 HydrophobicContact CD2-CE2 3.56Å; L180-F235 HydrophobicContact CD2-CZ 3.97Å; L180-F235 HydrophobicContact CG-CE2 4.04Å
181H95.6Very high98.3Very high138 Ų13846.9 Ų46.964%0.63922%0.221SC*.SBendtrans-111-25.3176.8-52.6-44.5000113P178 D179P178-H181 PolarHBondContact O-CE1 2.84Å; D179-H181 PolarHBondContact O-N 3.25Å
182S97.2Very high98.3Very high56 Ų5650.5 Ų50.539%0.39224%0.244SC..  trans-146.7140.6178.2178.20000110.7E184 Q185S182-E184 PolarHBondContact O-N 3.21Å; S182-E184 WeakPolarHBondContact OG-CB 3.41Å; S182-E184 PolarHBondContact OG-N 3.05Å; S182-Q185 WeakPolarHBondContact O-CB 3.38Å; S182-Q185 PolarHBondContact O-N 3.43Å
183M98.2Very high98.3Very high16 Ų1652.5 Ų52.58%0.07926%0.256CS..Hα-helixtrans-56.2-23.7172.8-61.2-5816800112.9L52 I164 F170 Q185 I186 R187 F235 H239 L241L52-M183 HydrophobicContact CD1-CB 3.91Å; L52-M183 HydrophobicContact CD1-CG 4.42Å; L52-M183 HydrophobicContact CD1-SD 4.13Å; I164-M183 HydrophobicContact CD1-CE 4.37Å; I164-M183 HydrophobicContact CD1-CG 4.29Å; I164-M183 HydrophobicContact CD1-SD 4.08Å; F170-M183 HydrophobicContact CD2-CE 3.74Å; F170-M183 HydrophobicContact CD2-SD 4.11Å; F170-M183 HydrophobicContact CE2-CE 3.84Å; F170-M183 HydrophobicContact CE2-SD 3.77Å; M183-Q185 PolarHBondContact O-N 2.88Å; M183-I186 WeakPolarHBondContact O-CB 3.33Å; M183-I186 PolarHBondContact O-N 2.85Å; M183-I186 VanDerWaalsContact O-N 3.12Å; M183-I186 HydrophobicContact SD-CD1 4.14Å; M183-R187 PolarHBondContact O-N 2.87Å; M183-R187 VanDerWaalsContact O-N 3.14Å; M183-F235 HydrophobicContact CE-CE1 4.36Å; M183-F235 HydrophobicContact CE-CE2 4.1Å; M183-F235 HydrophobicContact CE-CZ 3.52Å; M183-H239 HydrophobicContact CE-CB 4.17Å; M183-L241 HydrophobicContact CE-CD1 4.08Å
184E98.2Very high98.3Very high74 Ų7456.1 Ų56.135%0.34628%0.275SS..Hα-helixtrans-64.7-27.7175.7-174.356.4-163.500112.9S182 I186 R187 R188S182-E184 PolarHBondContact O-N 3.21Å; S182-E184 WeakPolarHBondContact OG-CB 3.41Å; S182-E184 PolarHBondContact OG-N 3.05Å; E184-I186 VanDerWaalsContact C-N 3.27Å; E184-I186 PolarHBondContact O-N 3.39Å; E184-R187 PolarHBondContact O-N 3.16Å; E184-R188 VanDerWaalsContact O-CG 3.27Å; E184-R188 WeakPolarHBondContact O-CG 3.39Å; E184-R188 PolarHBondContact O-N 3.03Å; E184-R188 VanDerWaalsContact O-N 3.12Å; E184-R188 IonicContact OE1-CZ 3.83Å; E184-R188 IonicContact OE1-NE 3.8Å; E184-R188 PolarHBondContact OE1-NE 2.96Å; E184-R188 IonicContact OE1-NH2 3.6Å
185Q98.5Very high98.3Very high65 Ų6556.8 Ų56.830%0.30428%0.28SS..Hα-helixtrans-63.2-37.5173.2-65.7172.3-92.100111.3D179 S182 M183 L200D179-Q185 PolarHBondContact O-NE2 3.45Å; D179-Q185 PolarHBondContact O-OE1 2.8Å; S182-Q185 WeakPolarHBondContact O-CB 3.38Å; S182-Q185 PolarHBondContact O-N 3.43Å; M183-Q185 PolarHBondContact O-N 2.88Å; Q185-L200 HydrophobicContact CB-CD2 3.71Å
186I98.6Very high98.3Very high0 Ų059.6 Ų59.60%030%0.298CS..Hα-helixtrans-69.7-46.2176.2-54.5174.5000109.8I51 L52 V162 F170 L180 M183 E184 R188 I189 L200 L204I51-I186 WeakPolarHBondContact CG2-O 3.49Å; L52-I186 HydrophobicContact CB-CG2 4.07Å; L52-I186 HydrophobicContact CD1-CB 4.17Å; L52-I186 HydrophobicContact CD1-CD1 4.27Å; L52-I186 HydrophobicContact CD1-CG2 4.28Å; V162-I186 HydrophobicContact CB-CD1 4.46Å; V162-I186 HydrophobicContact CB-CG2 4.39Å; V162-I186 HydrophobicContact CG2-CD1 3.96Å; V162-I186 HydrophobicContact CG2-CG2 4.3Å; F170-I186 HydrophobicContact CE2-CD1 4.14Å; F170-I186 HydrophobicContact CZ-CD1 4.31Å; L180-I186 HydrophobicContact CD1-CD1 3.73Å; L180-I186 HydrophobicContact CD1-CG1 3.8Å; L180-I186 HydrophobicContact CD2-CD1 4.16Å; M183-I186 WeakPolarHBondContact O-CB 3.33Å; M183-I186 PolarHBondContact O-N 2.85Å; M183-I186 VanDerWaalsContact O-N 3.12Å; M183-I186 HydrophobicContact SD-CD1 4.14Å; E184-I186 VanDerWaalsContact C-N 3.27Å; E184-I186 PolarHBondContact O-N 3.39Å; I186-R188 PolarHBondContact O-N 3.33Å; I186-R188 VanDerWaalsContact O-N 3.15Å; I186-I189 WeakPolarHBondContact O-CB 3.26Å; I186-I189 PolarHBondContact O-N 2.88Å; I186-I189 VanDerWaalsContact O-N 3.08Å; I186-L200 HydrophobicContact CG1-CD2 4.43Å; I186-L204 HydrophobicContact CD1-CD1 4.2Å; I186-L204 HydrophobicContact CD1-CD2 4.42Å; I186-L204 HydrophobicContact CG1-CD1 4.1Å
187R98.5Very high98.1Very high104 Ų10468.3 Ų68.339%0.39234%0.338SS..Hα-helixtrans-58.6-28.3179.6-67.4-170.1-177.992.4-0.8113.4L52 E54 M183 E184L52-R187 HydrophobicContact CB-CG 4.18Å; L52-R187 HydrophobicContact CD1-CG 4.46Å; E54-R187 IonicContact OE1-CZ 3.34Å; E54-R187 IonicContact OE1-NE 3.44Å; E54-R187 IonicContact OE1-NH2 3.44Å; E54-R187 PolarHBondContact OE1-NH2 2.91Å; M183-R187 PolarHBondContact O-N 2.87Å; M183-R187 VanDerWaalsContact O-N 3.14Å; E184-R187 PolarHBondContact O-N 3.16Å
188R98.3Very high98Very high178 Ų17875.6 Ų75.667%0.67237%0.372SS*.THydrogen-bonded Turntrans-83.5-7.7179.7-71.1174.3-173.7-177.85.2114.9E184 I186 M190E184-R188 VanDerWaalsContact O-CG 3.27Å; E184-R188 WeakPolarHBondContact O-CG 3.39Å; E184-R188 PolarHBondContact O-N 3.03Å; E184-R188 VanDerWaalsContact O-N 3.12Å; E184-R188 IonicContact OE1-CZ 3.83Å; E184-R188 IonicContact OE1-NE 3.8Å; E184-R188 PolarHBondContact OE1-NE 2.96Å; E184-R188 IonicContact OE1-NH2 3.6Å; I186-R188 PolarHBondContact O-N 3.33Å; I186-R188 VanDerWaalsContact O-N 3.15Å; R188-M190 PolarHBondContact O-N 2.63Å; R188-M190 VanDerWaalsContact O-N 3.16Å
189I98.5Very high98Very high32 Ų3274.7 Ų74.716%0.16437%0.369CS..  trans-66.3116.8175-63.6170000108.4I51 I186 T193 L200 L201I51-I189 HydrophobicContact CD1-CB 3.71Å; I51-I189 HydrophobicContact CD1-CG2 3.58Å; I186-I189 WeakPolarHBondContact O-CB 3.26Å; I186-I189 PolarHBondContact O-N 2.88Å; I186-I189 VanDerWaalsContact O-N 3.08Å; I189-T193 HydrophobicContact CG2-CG2 4.12Å; I189-L200 HydrophobicContact CD1-CD2 4.32Å; I189-L201 HydrophobicContact CD1-CB 4.4Å
190M98.5Very high98.1Very high154 Ų15472.2 Ų72.276%0.75936%0.356SS*.  trans-79141.6-179.6-67-61.2-65.600111.1R188 T193R188-M190 PolarHBondContact O-N 2.63Å; R188-M190 VanDerWaalsContact O-N 3.16Å; M190-T193 WeakPolarHBondContact O-CB 3.34Å; M190-T193 WeakPolarHBondContact O-CG2 3.32Å
191R98.8Very high98.1Very high39 Ų3972.3 Ų72.315%0.14736%0.356CS..SBendtrans-118.2146.6175.1-69.2176.7-65.4160.34.8110.6F46 L47 Q49 I51 C158 L159F46-R191 VanDerWaalsContact O-CZ 3.3Å; F46-R191 PolarHBondContact O-NH1 3.45Å; F46-R191 PolarHBondContact O-NH2 2.94Å; F46-R191 VanDerWaalsContact O-NH2 3.1Å; L47-R191 HydrophobicContact CD2-CB 3.75Å; Q49-R191 PolarHBondContact O-NH2 3.39Å; I51-R191 HydrophobicContact CD1-CG 3.75Å; I51-R191 HydrophobicContact CG1-CG 4.38Å; C158-R191 WeakPolarHBondContact O-CD 3.37Å; C158-R191 PolarHBondContact O-NH1 2.83Å; L159-R191 WeakPolarHBondContact O-CD 3.23Å
192P98.8Very high98.2Very high75 Ų7565.7 Ų65.749%0.48733%0.326SS..SBendcis-71.1144.2028.9-34.1000113N157N157-P192 HydrophobicContact CB-CB 3.81Å; N157-P192 VanDerWaalsContact O-CA 3.25Å; N157-P192 WeakPolarHBondContact O-CA 3.08Å
193T98.7Very high98.3Very high42 Ų4263.1 Ų63.126%0.25831%0.308SS..  trans-139.5147.1172.5-175.40000110.7R122 N157 I189 M190 L201R122-T193 PolarHBondContact NH1-O 3.41Å; N157-T193 WeakPolarHBondContact CA-O 3.27Å; N157-T193 WeakPolarHBondContact CB-O 3.24Å; N157-T193 VanDerWaalsContact CG-O 3.28Å; N157-T193 PolarHBondContact O-N 3.09Å; N157-T193 PolarHBondContact OD1-O 3.45Å; N157-T193 VanDerWaalsContact OD1-O 3.14Å; I189-T193 HydrophobicContact CG2-CG2 4.12Å; M190-T193 WeakPolarHBondContact O-CB 3.34Å; M190-T193 WeakPolarHBondContact O-CG2 3.32Å; T193-L201 HydrophobicContact CG2-CD2 3.72Å
194D98.4Very high98.3Very high76 Ų7662.3 Ų62.341%0.40630%0.304SS..PPolyproline II helixtrans-77.9167.8164-153.4-1000110.2
195V98.4Very high98.4Very high15 Ų1558.8 Ų58.89%0.09129%0.287CS..PPolyproline II helixtrans-85118.9173.7-178.20000108.6C127 L205C127-V195 HydrophobicContact CB-CB 4.08Å; C127-V195 HydrophobicContact CB-CG2 3.69Å; V195-L205 HydrophobicContact CB-CD1 4.28Å; V195-L205 HydrophobicContact CG1-CD1 3.73Å; V195-L205 HydrophobicContact CG2-CD1 3.49Å; V195-L205 VanDerWaalsContact CG2-CD1 3.49Å
196P98Very high98.4Very high58 Ų5857.3 Ų57.338%0.37728%0.279SS..PPolyproline II helixtrans-69.3163177.631.1-35.9000111.2Q198 L201 C202P196-Q198 WeakPolarHBondContact CG-O 3.38Å; P196-Q198 PolarHBondContact O-N 3.35Å; P196-L201 HydrophobicContact CG-CB 4.15Å; P196-C202 HydrophobicContact CG-CB 4.35Å; P196-C202 WeakPolarHBondContact O-CB 3.37Å
197E95.5Very high98.4Very high185 Ų18557.3 Ų57.386%0.86428%0.279SS*.SBendtrans-72-17.9176.8-63.7-179.317300113.2
198Q97.7Very high98.4Very high158 Ų15852.7 Ų52.774%0.73826%0.262SS*.SBendtrans-154.1165.6179.464.117835.400112.2P196P196-Q198 WeakPolarHBondContact CG-O 3.38Å; P196-Q198 PolarHBondContact O-N 3.35Å
199G98Very high98.4Very high18 Ų1844.9 Ų44.919%0.18623%0.234CC..SBendtrans92-178.7174.600000113.6D179 L201 C202 D203D179-G199 WeakPolarHBondContact OD2-CA 3.47Å; G199-L201 PolarHBondContact O-N 2.9Å; G199-C202 WeakPolarHBondContact O-CA 3.22Å; G199-C202 VanDerWaalsContact O-CB 3.25Å; G199-C202 WeakPolarHBondContact O-CB 3.39Å; G199-C202 PolarHBondContact O-N 3.03Å; G199-D203 PolarHBondContact O-N 3.42Å
200L98.6Very high98.4Very high23 Ų2343.8 Ų43.812%0.1223%0.229CC..Hα-helixtrans-38.9-53.6-170.1-18059.6000116.4D179 L180 Q185 I186 I189 D203 L204D179-L200 HydrophobicContact CB-CB 4.24Å; D179-L200 PolarHBondContact OD2-N 3.29Å; L180-L200 HydrophobicContact CB-CD1 3.74Å; L180-L200 HydrophobicContact CD1-CD1 4.11Å; L180-L200 HydrophobicContact CG-CD1 4.39Å; Q185-L200 HydrophobicContact CB-CD2 3.71Å; I186-L200 HydrophobicContact CG1-CD2 4.43Å; I189-L200 HydrophobicContact CD1-CD2 4.32Å; L200-D203 PolarHBondContact O-N 3.32Å; L200-L204 HydrophobicContact CD1-CD1 3.88Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CG-CD1 4.03Å; L200-L204 VanDerWaalsContact O-CG 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.46Å; L200-L204 PolarHBondContact O-N 3.31Å
201L98.7Very high98.3Very high12 Ų1244 Ų446%0.06323%0.225CC..Hα-helixtrans-67.2-38.4-178.1177.258.2000112.3I161 I189 T193 P196 G199 D203 L205I161-L201 HydrophobicContact CB-CD1 4.41Å; I161-L201 HydrophobicContact CD1-CD1 3.53Å; I161-L201 HydrophobicContact CG1-CD1 3.67Å; I161-L201 HydrophobicContact CG2-CD1 3.83Å; I189-L201 HydrophobicContact CD1-CB 4.4Å; T193-L201 HydrophobicContact CG2-CD2 3.72Å; P196-L201 HydrophobicContact CG-CB 4.15Å; G199-L201 PolarHBondContact O-N 2.9Å; L201-D203 VanDerWaalsContact C-N 3.34Å; L201-L205 HydrophobicContact CD1-CD1 3.9Å; L201-L205 HydrophobicContact CD1-CG 4.49Å; L201-L205 HydrophobicContact CG-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CD1 3.38Å; L201-L205 WeakPolarHBondContact O-CG 3.4Å
202C98.7Very high98.2Very high0 Ų047.4 Ų47.40%025%0.247CC..Hα-helixtrans-60.4-49.3173.2176.20000109.5P196 G199 L204 L205 W206 V223P196-C202 HydrophobicContact CG-CB 4.35Å; P196-C202 WeakPolarHBondContact O-CB 3.37Å; G199-C202 WeakPolarHBondContact O-CA 3.22Å; G199-C202 VanDerWaalsContact O-CB 3.25Å; G199-C202 WeakPolarHBondContact O-CB 3.39Å; G199-C202 PolarHBondContact O-N 3.03Å; C202-L204 PolarHBondContact O-N 3.14Å; C202-L205 CarbonylContact O-C 3.53Å; C202-L205 WeakPolarHBondContact O-CA 3.48Å; C202-L205 PolarHBondContact O-N 3.4Å; C202-W206 WeakPolarHBondContact O-CB 3.36Å; C202-W206 VanDerWaalsContact O-CD1 3.29Å; C202-W206 PolarHBondContact O-N 3.45Å; C202-V223 WeakPolarHBondContact SG-CG2 3.48Å
203D98.8Very high98.1Very high1 Ų145.9 Ų45.91%0.00523%0.234CC..Hα-helixtrans-66-38.4-173.2-56.8-20.1000113.1S177 G199 L200 L201 L205 W206 S207 S224S177-D203 VanDerWaalsContact CB-CB 3.49Å; S177-D203 WeakPolarHBondContact CB-OD2 3.35Å; S177-D203 PolarHBondContact OG-OD2 3.05Å; G199-D203 PolarHBondContact O-N 3.42Å; L200-D203 PolarHBondContact O-N 3.32Å; L201-D203 VanDerWaalsContact C-N 3.34Å; D203-L205 PolarHBondContact O-N 3.05Å; D203-L205 VanDerWaalsContact O-N 3.13Å; D203-W206 PolarHBondContact O-N 3.42Å; D203-S207 WeakPolarHBondContact O-CB 3.25Å; D203-S207 PolarHBondContact O-N 3.25Å; D203-S207 PolarHBondContact O-OG 2.97Å; D203-S224 WeakPolarHBondContact CA-OG 3.35Å; D203-S224 PolarHBondContact OD1-OG 3.43Å
204L98.9Very high98.1Very high0 Ų049.7 Ų49.70%026%0.257CS..Hα-helixtrans-60.4-20.5174.2-72.7168.5000113.1I161 V162 F170 G174 G175 L180 I186 L200 C202I161-L204 HydrophobicContact CG2-CB 3.9Å; I161-L204 HydrophobicContact CG2-CD1 3.8Å; I161-L204 HydrophobicContact CG2-CG 4.47Å; V162-L204 HydrophobicContact CG2-CD1 4.26Å; V162-L204 HydrophobicContact CG2-CD2 3.98Å; F170-L204 HydrophobicContact CE1-CD2 4.48Å; F170-L204 HydrophobicContact CZ-CD2 3.98Å; G174-L204 WeakPolarHBondContact CA-O 3.29Å; G174-L204 PolarHBondContact N-O 3.36Å; G175-L204 PolarHBondContact N-O 3.1Å; L180-L204 HydrophobicContact CD2-CD2 4.28Å; I186-L204 HydrophobicContact CD1-CD1 4.2Å; I186-L204 HydrophobicContact CD1-CD2 4.42Å; I186-L204 HydrophobicContact CG1-CD1 4.1Å; L200-L204 HydrophobicContact CD1-CD1 3.88Å; L200-L204 HydrophobicContact CD1-CG 4.08Å; L200-L204 HydrophobicContact CG-CD1 4.03Å; L200-L204 VanDerWaalsContact O-CG 3.28Å; L200-L204 WeakPolarHBondContact O-CG 3.46Å; L200-L204 PolarHBondContact O-N 3.31Å; C202-L204 PolarHBondContact O-N 3.14Å
205L98.8Very high98.1Very high0 Ų046.9 Ų46.90%025%0.246CC..Hα-helixtrans-107.1-18.1-178.7-61.8169.4000113.1R122 N124 H173 V195 L201 C202 D203R122-L205 HydrophobicContact CB-CD2 4.11Å; R122-L205 HydrophobicContact CG-CD2 4.36Å; R122-L205 WeakPolarHBondContact O-CD2 3.46Å; N124-L205 HydrophobicContact CB-CB 4.27Å; H173-L205 HydrophobicContact CB-CD2 4.2Å; H173-L205 PolarHBondContact CD2-O 2.7Å; V195-L205 HydrophobicContact CB-CD1 4.28Å; V195-L205 HydrophobicContact CG1-CD1 3.73Å; V195-L205 HydrophobicContact CG2-CD1 3.49Å; V195-L205 VanDerWaalsContact CG2-CD1 3.49Å; L201-L205 HydrophobicContact CD1-CD1 3.9Å; L201-L205 HydrophobicContact CD1-CG 4.49Å; L201-L205 HydrophobicContact CG-CD1 4.25Å; L201-L205 WeakPolarHBondContact O-CD1 3.38Å; L201-L205 WeakPolarHBondContact O-CG 3.4Å; C202-L205 CarbonylContact O-C 3.53Å; C202-L205 WeakPolarHBondContact O-CA 3.48Å; C202-L205 PolarHBondContact O-N 3.4Å; D203-L205 PolarHBondContact O-N 3.05Å; D203-L205 VanDerWaalsContact O-N 3.13Å
206W98.7Very high98.1Very high34 Ų3450.3 Ų50.313%0.12926%0.258CS..Hα-helixtrans-129.3-17.3-168.5-75.9101.5000115.9N124 I130 C202 D203 N219 V223 H248N124-W206 HydrophobicContact CB-CD2 3.88Å; N124-W206 VanDerWaalsContact CB-CE2 3.49Å; N124-W206 HydrophobicContact CB-CE3 4.43Å; N124-W206 HydrophobicContact CB-CG 4.32Å; N124-W206 HydrophobicContact CB-CH2 4.38Å; N124-W206 HydrophobicContact CB-CZ2 3.78Å; N124-W206 WeakPolarHBondContact ND2-CH2 3.37Å; N124-W206 WeakPolarHBondContact ND2-CZ2 3.34Å; N124-W206 WeakPolarHBondContact ND2-CZ3 3.47Å; I130-W206 HydrophobicContact CD1-CH2 3.72Å; I130-W206 HydrophobicContact CD1-CZ2 3.61Å; I130-W206 HydrophobicContact CG1-CH2 4.25Å; I130-W206 HydrophobicContact CG1-CZ2 3.77Å; C202-W206 WeakPolarHBondContact O-CB 3.36Å; C202-W206 VanDerWaalsContact O-CD1 3.29Å; C202-W206 PolarHBondContact O-N 3.45Å; D203-W206 PolarHBondContact O-N 3.42Å; W206-N219 PolarHBondContact O-ND2 2.93Å; W206-V223 HydrophobicContact CB-CG1 4.33Å; W206-V223 HydrophobicContact CB-CG2 4.38Å; W206-V223 HydrophobicContact CD2-CG1 3.58Å; W206-V223 HydrophobicContact CD2-CG2 4.19Å; W206-V223 HydrophobicContact CE3-CG1 3.27Å; W206-V223 HydrophobicContact CG-CG1 4.09Å; W206-V223 HydrophobicContact CG-CG2 4.07Å; W206-V223 HydrophobicContact CH2-CG1 4.26Å; W206-V223 HydrophobicContact CZ3-CG1 3.64Å; W206-H248 AromaticContact CE3-CE1 3.87Å
207S98.8Very high98.1Very high0 Ų048.5 Ų48.50%025%0.249CC..  trans-71.1150.5-177.460.10000111.9G174 G175 L176 D203 S224 Y225 F227 R246G174-S207 CarbonylContact C-O 3.5Å; G175-S207 WeakPolarHBondContact CA-OG 3.11Å; G175-S207 PolarHBondContact N-OG 3.06Å; G175-S207 VanDerWaalsContact N-OG 3.13Å; L176-S207 PolarHBondContact N-OG 2.85Å; L176-S207 VanDerWaalsContact N-OG 3.14Å; L176-S207 VanDerWaalsContact O-CB 3.28Å; L176-S207 WeakPolarHBondContact O-CB 3.3Å; L176-S207 PolarHBondContact O-OG 3.45Å; D203-S207 WeakPolarHBondContact O-CB 3.25Å; D203-S207 PolarHBondContact O-N 3.25Å; D203-S207 PolarHBondContact O-OG 2.97Å; S207-S224 WeakPolarHBondContact CA-OG 3.28Å; S207-S224 WeakPolarHBondContact CB-OG 3.33Å; S207-S224 PolarHBondContact N-OG 3.32Å; S207-Y225 WeakPolarHBondContact CA-O 3.26Å; S207-Y225 WeakPolarHBondContact CB-O 3.41Å; S207-F227 WeakPolarHBondContact OG-CE1 3.41Å; S207-R246 PolarHBondContact O-NH2 3.04Å
208D98.8Very high98.1Very high6 Ų648.3 Ų48.33%0.03225%0.248CC..EExtended strand (participates in β ladder)trans-127142.3-177.7-80.8-43.5000112.4R221 Y225 T226 F227 R246 H248 Q249D208-R221 IonicContact OD2-CZ 3.76Å; D208-R221 IonicContact OD2-NE 3.54Å; D208-R221 PolarHBondContact OD2-NE 3.3Å; D208-R221 IonicContact OD2-NH2 3.67Å; D208-R221 PolarHBondContact OD2-NH2 3.38Å; D208-Y225 PolarHBondContact N-O 2.8Å; D208-T226 HydrophobicContact CB-CG2 4.41Å; D208-T226 CarbonylContact O-C 3.59Å; D208-T226 WeakPolarHBondContact O-CA 3.24Å; D208-F227 VanDerWaalsContact C-CE1 3.43Å; D208-F227 WeakPolarHBondContact O-CD1 3.3Å; D208-F227 PolarHBondContact O-N 3.46Å; D208-R246 IonicContact OD1-CZ 2.74Å; D208-R246 IonicContact OD1-NH1 3.88Å; D208-R246 PolarHBondContact OD1-NH1 3.44Å; D208-R246 IonicContact OD1-NH2 2.81Å; D208-R246 PolarHBondContact OD1-NH2 3Å; D208-H248 IonicContact OD1-CD2 3.91Å; D208-H248 PolarHBondContact OD1-CD2 3.2Å; D208-H248 IonicContact OD2-CD2 3.51Å; D208-Q249 VanDerWaalsContact CG-NE2 3.31Å; D208-Q249 VanDerWaalsContact OD1-CG 3.25Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.38Å; D208-Q249 PolarHBondContact OD1-NE2 3.47Å; D208-Q249 PolarHBondContact OD1-OE1 3.46Å
209P98.6Very high98.1Very high15 Ų1541.5 Ų41.510%0.09722%0.217CC..EExtended strand (participates in β ladder)trans-69.9143.716930.2-34.2000111.1F227 F258 L263P209-F227 WeakPolarHBondContact CA-O 3.23Å; P209-F227 HydrophobicContact CB-CD2 4.5Å; P209-F227 HydrophobicContact CB-CE2 3.91Å; P209-F227 HydrophobicContact CB-CZ 4.1Å; P209-F258 HydrophobicContact CB-CD1 3.74Å; P209-F258 HydrophobicContact CB-CD2 4.26Å; P209-F258 HydrophobicContact CB-CE1 3.79Å; P209-F258 HydrophobicContact CB-CE2 4.31Å; P209-F258 HydrophobicContact CB-CG 3.97Å; P209-F258 HydrophobicContact CB-CZ 4.08Å; P209-L263 HydrophobicContact CB-CD1 4.34Å; P209-L263 HydrophobicContact CB-CD2 4.43Å; P209-L263 HydrophobicContact CG-CD2 4.07Å
210D98.1Very high97.9Very high8 Ų846.6 Ų46.64%0.04324%0.24CC..  trans-138.7122.7178.6-179-8.8000111D212 I213 T226 F227 R319D210-D212 PolarHBondContact OD1-N 2.78Å; D210-I213 HydrophobicContact CB-CD1 3.84Å; D210-I213 HydrophobicContact CB-CG1 3.79Å; D210-I213 WeakPolarHBondContact OD2-CG2 3.4Å; D210-T226 HydrophobicContact CB-CG2 4.17Å; D210-F227 PolarHBondContact N-O 2.77Å; D210-R319 VanDerWaalsContact CG-NH2 3.25Å; D210-R319 IonicContact OD1-CZ 3.36Å; D210-R319 IonicContact OD1-NH1 2.66Å; D210-R319 PolarHBondContact OD1-NH1 3.11Å; D210-R319 IonicContact OD1-NH2 3.18Å; D210-R319 PolarHBondContact OD1-NH2 3.3Å; D210-R319 IonicContact OD2-CZ 3.19Å; D210-R319 IonicContact OD2-NH1 3.16Å; D210-R319 PolarHBondContact OD2-NH1 3.2Å; D210-R319 VanDerWaalsContact OD2-NH1 3.16Å; D210-R319 IonicContact OD2-NH2 2.65Å; D210-R319 PolarHBondContact OD2-NH2 3.03Å
211K96.2Very high97.7Very high158 Ų15848.7 Ų48.769%0.68725%0.246SC*.THydrogen-bonded Turntrans-77.4-18.7-177.968.2-179.1-178.4-174.30114.2F258K211-F258 HydrophobicContact CB-CE2 3.93Å
212D96.7Very high97.6Very high112 Ų11251.8 Ų51.860%0.59928%0.281SS*.THydrogen-bonded Turntrans-973.1-170.9-60.4-50.7000112D210 R319D210-D212 PolarHBondContact OD1-N 2.78Å; D212-R319 IonicContact OD2-NH1 3.76Å
213I97.3Very high97.5Very high43 Ų4353.2 Ų53.222%0.22129%0.289CS..  trans-122.1165.8179.871.2171.6000112.7D210 T226D210-I213 HydrophobicContact CB-CD1 3.84Å; D210-I213 HydrophobicContact CB-CG1 3.79Å; D210-I213 WeakPolarHBondContact OD2-CG2 3.4Å; I213-T226 WeakPolarHBondContact CD1-OG1 3.37Å
214T97.9Very high97.5Very high122 Ų12254.1 Ų54.175%0.74830%0.296SS*.SBendtrans-124.7135.2167.5-59.10000108.1
215G98.5Very high97.5Very high16 Ų1658.9 Ų58.917%0.16531%0.314CS..SBendtrans78.5-137.3-175.200000112.8F227 G228 D230 I231G215-F227 WeakPolarHBondContact O-CA 3.46Å; G215-G228 PolarHBondContact O-N 3.37Å; G215-D230 PolarHBondContact N-OD1 3.43Å; G215-D230 PolarHBondContact N-OD2 2.89Å; G215-D230 VanDerWaalsContact N-OD2 3.09Å; G215-I231 VanDerWaalsContact O-CG1 3.32Å; G215-I231 WeakPolarHBondContact O-CG1 3.28Å
216W98.6Very high97.5Very high88 Ų8859.5 Ų59.533%0.33332%0.318SS..EExtended strand (participates in β ladder)trans-105.6140.9178.5-61.995.9000110.5L176 S177 P178 Y225 T226 F227 I231L176-W216 HydrophobicContact CB-CH2 3.75Å; L176-W216 HydrophobicContact CB-CZ3 4.49Å; S177-W216 VanDerWaalsContact C-CZ2 3.43Å; P178-W216 VanDerWaalsContact CA-CZ2 3.43Å; P178-W216 HydrophobicContact CB-CD2 4.05Å; P178-W216 HydrophobicContact CB-CG 4.45Å; P178-W216 HydrophobicContact CB-CZ2 4Å; P178-W216 HydrophobicContact CG-CD2 4.44Å; P178-W216 HydrophobicContact CG-CE3 4.5Å; P178-W216 VanDerWaalsContact N-CZ2 3.26Å; W216-Y225 HydrophobicContact CE3-CG 4.39Å; W216-T226 WeakPolarHBondContact CA-O 3.24Å; W216-F227 HydrophobicContact CD2-CB 4.42Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.18Å; W216-F227 HydrophobicContact CZ3-CB 3.65Å; W216-F227 HydrophobicContact CZ3-CD1 4.05Å; W216-F227 HydrophobicContact CZ3-CG 4.18Å; W216-I231 HydrophobicContact CH2-CG2 3.99Å; W216-I231 HydrophobicContact CZ2-CG2 3.61Å
217G97.8Very high97.5Very high19 Ų1957.9 Ų57.920%0.19631%0.312CS..EExtended strand (participates in β ladder)trans-129.7171.5178.100000112.7Y225 T226G217-Y225 WeakPolarHBondContact O-CA 3.41Å; G217-T226 VanDerWaalsContact CA-OG1 3.27Å; G217-T226 WeakPolarHBondContact CA-OG1 3.36Å; G217-T226 PolarHBondContact N-O 2.7Å; G217-T226 PolarHBondContact O-N 3.49Å; G217-T226 PolarHBondContact O-OG1 2.73Å
218E96.1Very high97.5Very high181 Ų18157.9 Ų57.985%0.84631%0.312SS*.EExtended strand (participates in β ladder)trans-67.7149.1169.5-69-175.2166.900110.3T226E218-T226 WeakPolarHBondContact O-CG2 3.23Å; E218-T226 PolarHBondContact O-OG1 3.15Å
219N97.4Very high97.5Very high16 Ų1659.4 Ų59.49%0.08633%0.326CS..  trans-105.1125.7175.9-166.7-37.7000110.1W206 R221 G222 V223 Y225 T226W206-N219 PolarHBondContact O-ND2 2.93Å; N219-R221 PolarHBondContact O-N 2.93Å; N219-R221 WeakPolarHBondContact OD1-CB 3.47Å; N219-R221 VanDerWaalsContact OD1-CG 3.28Å; N219-R221 WeakPolarHBondContact OD1-CG 3.18Å; N219-R221 PolarHBondContact OD1-N 2.99Å; N219-G222 PolarHBondContact O-N 3.44Å; N219-V223 WeakPolarHBondContact CB-O 3.31Å; N219-Y225 PolarHBondContact ND2-O 3.4Å; N219-T226 HydrophobicContact CB-CG2 4.23Å
220D95.1Very high97.5Very high125 Ų12561.8 Ų61.867%0.66834%0.338SS*.THydrogen-bonded Turntrans-58.4-16.9179.5-67-23.3000113.1G222D220-G222 PolarHBondContact O-N 3.37Å
221R94Very high97.5Very high67 Ų6762.5 Ų62.525%0.25334%0.341SS..THydrogen-bonded Turntrans-71.9-10.5173.6-62.2175.6-173.4-97.813.4113.6D208 N219 V223 H248D208-R221 IonicContact OD2-CZ 3.76Å; D208-R221 IonicContact OD2-NE 3.54Å; D208-R221 PolarHBondContact OD2-NE 3.3Å; D208-R221 IonicContact OD2-NH2 3.67Å; D208-R221 PolarHBondContact OD2-NH2 3.38Å; N219-R221 PolarHBondContact O-N 2.93Å; N219-R221 WeakPolarHBondContact OD1-CB 3.47Å; N219-R221 VanDerWaalsContact OD1-CG 3.28Å; N219-R221 WeakPolarHBondContact OD1-CG 3.18Å; N219-R221 PolarHBondContact OD1-N 2.99Å; R221-V223 VanDerWaalsContact C-N 3.25Å; R221-V223 HydrophobicContact CB-CG1 3.98Å; R221-V223 PolarHBondContact O-N 3.12Å; R221-H248 PolarHBondContact NE-NE2 2.89Å; R221-H248 PolarHBondContact NH2-NE2 3.49Å; R221-H248 PolarHBondContact NH2-O 3.48Å; R221-H248 VanDerWaalsContact NH2-O 3.1Å
222G96.3Very high97.6Very high76 Ų7655 Ų5578%0.78431%0.308SS*.SBendtrans72.516.4-176.600000114.1N219 D220N219-G222 PolarHBondContact O-N 3.44Å; D220-G222 PolarHBondContact O-N 3.37Å
223V97.1Very high97.7Very high30 Ų3052.7 Ų52.718%0.18230%0.299CS..SBendtrans-147143.8179.8590000109.3C202 W206 N219 R221C202-V223 WeakPolarHBondContact SG-CG2 3.48Å; W206-V223 HydrophobicContact CB-CG1 4.33Å; W206-V223 HydrophobicContact CB-CG2 4.38Å; W206-V223 HydrophobicContact CD2-CG1 3.58Å; W206-V223 HydrophobicContact CD2-CG2 4.19Å; W206-V223 HydrophobicContact CE3-CG1 3.27Å; W206-V223 HydrophobicContact CG-CG1 4.09Å; W206-V223 HydrophobicContact CG-CG2 4.07Å; W206-V223 HydrophobicContact CH2-CG1 4.26Å; W206-V223 HydrophobicContact CZ3-CG1 3.64Å; N219-V223 WeakPolarHBondContact CB-O 3.31Å; R221-V223 VanDerWaalsContact C-N 3.25Å; R221-V223 HydrophobicContact CB-CG1 3.98Å; R221-V223 PolarHBondContact O-N 3.12Å
224S98Very high97.8Very high20 Ų2058 Ų5814%0.1432%0.32CS..SBendtrans58.2-157.3-177.4-173.60000112.6D203 S207D203-S224 WeakPolarHBondContact CA-OG 3.35Å; D203-S224 PolarHBondContact OD1-OG 3.43Å; S207-S224 WeakPolarHBondContact CA-OG 3.28Å; S207-S224 WeakPolarHBondContact CB-OG 3.33Å; S207-S224 PolarHBondContact N-OG 3.32Å
225Y98.4Very high97.8Very high101 Ų10152.9 Ų52.940%0.39629%0.287SS..EExtended strand (participates in β ladder)trans-127.5161.8-172.9-56.7-82.5000111.6P178 S207 D208 W216 G217 N219P178-Y225 HydrophobicContact CG-CD2 3.85Å; P178-Y225 HydrophobicContact CG-CE2 3.72Å; S207-Y225 WeakPolarHBondContact CA-O 3.26Å; S207-Y225 WeakPolarHBondContact CB-O 3.41Å; D208-Y225 PolarHBondContact N-O 2.8Å; W216-Y225 HydrophobicContact CE3-CG 4.39Å; G217-Y225 WeakPolarHBondContact O-CA 3.41Å; N219-Y225 PolarHBondContact ND2-O 3.4Å
226T98.7Very high97.8Very high12 Ų1252.2 Ų52.27%0.07428%0.28CS..EExtended strand (participates in β ladder)trans-95154.7158.247.90000110.2D208 D210 I213 W216 G217 E218 N219D208-T226 HydrophobicContact CB-CG2 4.41Å; D208-T226 CarbonylContact O-C 3.59Å; D208-T226 WeakPolarHBondContact O-CA 3.24Å; D210-T226 HydrophobicContact CB-CG2 4.17Å; I213-T226 WeakPolarHBondContact CD1-OG1 3.37Å; W216-T226 WeakPolarHBondContact CA-O 3.24Å; G217-T226 VanDerWaalsContact CA-OG1 3.27Å; G217-T226 WeakPolarHBondContact CA-OG1 3.36Å; G217-T226 PolarHBondContact N-O 2.7Å; G217-T226 PolarHBondContact O-N 3.49Å; G217-T226 PolarHBondContact O-OG1 2.73Å; E218-T226 WeakPolarHBondContact O-CG2 3.23Å; E218-T226 PolarHBondContact O-OG1 3.15Å; N219-T226 HydrophobicContact CB-CG2 4.23Å
227F98.8Very high97.8Very high0 Ų055.6 Ų55.60%030%0.299CS..EExtended strand (participates in β ladder)trans-136.8138.317756.7-89.7000113.5L176 S207 D208 P209 D210 G215 W216 I231 V232 L263L176-F227 HydrophobicContact CB-CD1 4.38Å; L176-F227 HydrophobicContact CB-CE1 4.4Å; L176-F227 HydrophobicContact CB-CG 4.48Å; L176-F227 HydrophobicContact CB-CZ 4.49Å; L176-F227 HydrophobicContact CD1-CD2 4.28Å; L176-F227 HydrophobicContact CD1-CE2 4.28Å; L176-F227 HydrophobicContact CG-CE2 4.27Å; L176-F227 HydrophobicContact CG-CZ 4.4Å; S207-F227 WeakPolarHBondContact OG-CE1 3.41Å; D208-F227 VanDerWaalsContact C-CE1 3.43Å; D208-F227 WeakPolarHBondContact O-CD1 3.3Å; D208-F227 PolarHBondContact O-N 3.46Å; P209-F227 WeakPolarHBondContact CA-O 3.23Å; P209-F227 HydrophobicContact CB-CD2 4.5Å; P209-F227 HydrophobicContact CB-CE2 3.91Å; P209-F227 HydrophobicContact CB-CZ 4.1Å; D210-F227 PolarHBondContact N-O 2.77Å; G215-F227 WeakPolarHBondContact O-CA 3.46Å; W216-F227 HydrophobicContact CD2-CB 4.42Å; W216-F227 HydrophobicContact CE3-CB 3.77Å; W216-F227 HydrophobicContact CH2-CB 4.18Å; W216-F227 HydrophobicContact CZ3-CB 3.65Å; W216-F227 HydrophobicContact CZ3-CD1 4.05Å; W216-F227 HydrophobicContact CZ3-CG 4.18Å; F227-I231 HydrophobicContact CB-CB 4.15Å; F227-I231 HydrophobicContact CB-CG1 4.37Å; F227-I231 HydrophobicContact CB-CG2 4.07Å; F227-V232 HydrophobicContact CD2-CG2 3.84Å; F227-V232 HydrophobicContact CE2-CG2 3.71Å; F227-L263 HydrophobicContact CE2-CD1 3.82Å; F227-L263 HydrophobicContact CZ-CD1 4.09Å
228G98.6Very high97.8Very high0 Ų058.2 Ų58.20%032%0.315CS..  trans-77.6169.9-178.800000114.2G215 D230 I231 V232G215-G228 PolarHBondContact O-N 3.37Å; G228-D230 PolarHBondContact O-N 2.99Å; G228-I231 PolarHBondContact O-N 2.85Å; G228-V232 PolarHBondContact O-N 3.03Å
229A98.7Very high97.9Very high39 Ų3951.8 Ų51.832%0.32229%0.285SS..Hα-helixtrans-61.8-29.617700000112.7V232 T233 F258 A259A229-V232 PolarHBondContact O-N 3.28Å; A229-T233 PolarHBondContact O-N 3.02Å; A229-T233 PolarHBondContact O-OG1 2.96Å; A229-F258 HydrophobicContact CB-CE1 4.11Å; A229-F258 HydrophobicContact CB-CZ 3.95Å; A229-A259 HydrophobicContact CB-CB 3.74Å
230D98.6Very high97.9Very high65 Ų6558.5 Ų58.535%0.34832%0.315SS..Hα-helixtrans-64.9-37.3176.263.5-59.2000112.5G215 G228 K234G215-D230 PolarHBondContact N-OD1 3.43Å; G215-D230 PolarHBondContact N-OD2 2.89Å; G215-D230 VanDerWaalsContact N-OD2 3.09Å; G228-D230 PolarHBondContact O-N 2.99Å; D230-K234 VanDerWaalsContact O-CB 3.29Å; D230-K234 WeakPolarHBondContact O-CB 3.46Å; D230-K234 PolarHBondContact O-N 3.02Å
231I98.7Very high98.1Very high23 Ų2353.1 Ų53.112%0.11829%0.286CS..Hα-helixtrans-65.7-43.7175.1-62.1-57000110.5L176 G215 W216 F227 G228 K234 F235L176-I231 HydrophobicContact CD1-CG2 3.86Å; G215-I231 VanDerWaalsContact O-CG1 3.32Å; G215-I231 WeakPolarHBondContact O-CG1 3.28Å; W216-I231 HydrophobicContact CH2-CG2 3.99Å; W216-I231 HydrophobicContact CZ2-CG2 3.61Å; F227-I231 HydrophobicContact CB-CB 4.15Å; F227-I231 HydrophobicContact CB-CG1 4.37Å; F227-I231 HydrophobicContact CB-CG2 4.07Å; G228-I231 PolarHBondContact O-N 2.85Å; I231-K234 PolarHBondContact O-N 3.32Å; I231-F235 VanDerWaalsContact O-CB 3.3Å; I231-F235 WeakPolarHBondContact O-CB 3.24Å; I231-F235 PolarHBondContact O-N 3.41Å
232V98.8Very high98.3Very high0 Ų054.7 Ų54.70%030%0.3CS..Hα-helixtrans-58.4-52.9175.5171.60000110.9L176 F227 G228 A229 K234 F235 L236 I244 F258 A259 Q262 L263L176-V232 HydrophobicContact CD1-CG2 4.43Å; F227-V232 HydrophobicContact CD2-CG2 3.84Å; F227-V232 HydrophobicContact CE2-CG2 3.71Å; G228-V232 PolarHBondContact O-N 3.03Å; A229-V232 PolarHBondContact O-N 3.28Å; V232-K234 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 3.43Å; V232-F235 PolarHBondContact O-N 3.02Å; V232-L236 HydrophobicContact CG1-CD1 3.99Å; V232-L236 WeakPolarHBondContact O-CG 3.27Å; V232-L236 PolarHBondContact O-N 3.4Å; V232-I244 HydrophobicContact CG1-CD1 4.04Å; V232-I244 HydrophobicContact CG2-CD1 4.32Å; V232-F258 HydrophobicContact CG2-CD1 4.06Å; V232-F258 HydrophobicContact CG2-CE1 3.82Å; V232-A259 HydrophobicContact CB-CB 4.02Å; V232-A259 HydrophobicContact CG1-CB 3.88Å; V232-A259 HydrophobicContact CG2-CB 4.46Å; V232-Q262 HydrophobicContact CG1-CB 3.76Å; V232-L263 HydrophobicContact CG1-CB 4.21Å; V232-L263 HydrophobicContact CG2-CD1 4.06Å
233T98.6Very high98.4Very high64 Ų6451.9 Ų51.939%0.39327%0.267SS..Hα-helixtrans-59.2-44.3-179.6-57.80000111.5A229 H237 Q262A229-T233 PolarHBondContact O-N 3.02Å; A229-T233 PolarHBondContact O-OG1 2.96Å; T233-H237 WeakPolarHBondContact O-CB 3.04Å; T233-H237 PolarHBondContact O-N 3.25Å; T233-H237 VanDerWaalsContact O-N 3.09Å; T233-Q262 PolarHBondContact OG1-OE1 2.96Å
234K98.5Very high98.5Very high153 Ų15350.4 Ų50.467%0.66526%0.258SS*.Hα-helixtrans-63.6-45.6179.1-177.8179.1177.3-176.60111.8D230 I231 V232 H237 S238D230-K234 VanDerWaalsContact O-CB 3.29Å; D230-K234 WeakPolarHBondContact O-CB 3.46Å; D230-K234 PolarHBondContact O-N 3.02Å; I231-K234 PolarHBondContact O-N 3.32Å; V232-K234 VanDerWaalsContact C-N 3.32Å; V232-K234 PolarHBondContact O-N 3.43Å; K234-H237 PolarHBondContact O-N 3.49Å; K234-S238 WeakPolarHBondContact O-CB 3.4Å; K234-S238 PolarHBondContact O-N 3.3Å; K234-S238 PolarHBondContact O-OG 3.35Å; K234-S238 VanDerWaalsContact O-OG 3.08Å
235F98.7Very high98.5Very high15 Ų1549.5 Ų49.57%0.06625%0.251CS..Hα-helixtrans-59.9-51.7-179.6175.5-96.7000111.5F170 L176 L180 M183 I231 V232 H237 S238 H239 L241 I244F170-F235 HydrophobicContact CB-CE1 4.3Å; F170-F235 HydrophobicContact CD1-CE1 4.25Å; F170-F235 HydrophobicContact CD1-CZ 4.43Å; F170-F235 HydrophobicContact CD2-CE1 4.23Å; F170-F235 AromaticContact CD2-CZ 3.97Å; F170-F235 HydrophobicContact CD2-CZ 3.97Å; F170-F235 HydrophobicContact CE1-CZ 4.46Å; F170-F235 AromaticContact CE2-CZ 3.99Å; F170-F235 HydrophobicContact CE2-CZ 3.99Å; F170-F235 HydrophobicContact CG-CE1 4.02Å; F170-F235 HydrophobicContact CG-CZ 4.19Å; F170-F235 HydrophobicContact CZ-CZ 4.25Å; L176-F235 HydrophobicContact CD1-CB 3.77Å; L176-F235 HydrophobicContact CD1-CD1 4.26Å; L176-F235 HydrophobicContact CD1-CD2 4.48Å; L176-F235 HydrophobicContact CD1-CG 3.92Å; L176-F235 HydrophobicContact CD2-CD1 3.69Å; L176-F235 HydrophobicContact CD2-CD2 3.87Å; L176-F235 HydrophobicContact CD2-CE1 3.69Å; L176-F235 HydrophobicContact CD2-CE2 3.89Å; L176-F235 HydrophobicContact CD2-CG 3.75Å; L176-F235 HydrophobicContact CD2-CZ 3.77Å; L176-F235 HydrophobicContact CG-CG 4.5Å; L180-F235 HydrophobicContact CD2-CE2 3.56Å; L180-F235 HydrophobicContact CD2-CZ 3.97Å; L180-F235 HydrophobicContact CG-CE2 4.04Å; M183-F235 HydrophobicContact CE-CE1 4.36Å; M183-F235 HydrophobicContact CE-CE2 4.1Å; M183-F235 HydrophobicContact CE-CZ 3.52Å; I231-F235 VanDerWaalsContact O-CB 3.3Å; I231-F235 WeakPolarHBondContact O-CB 3.24Å; I231-F235 PolarHBondContact O-N 3.41Å; V232-F235 PolarHBondContact O-N 3.02Å; F235-H237 VanDerWaalsContact C-N 3.35Å; F235-H237 PolarHBondContact O-N 3.39Å; F235-S238 PolarHBondContact O-N 2.95Å; F235-S238 PolarHBondContact O-OG 3.18Å; F235-H239 AromaticContact CD2-CE1 3.81Å; F235-H239 AromaticContact CD2-ND1 3.64Å; F235-H239 AromaticContact CE2-CE1 3.63Å; F235-H239 AromaticContact CE2-ND1 3.6Å; F235-H239 PolarHBondContact O-N 3.4Å; F235-H239 VanDerWaalsContact O-N 3.17Å; F235-H239 PolarHBondContact O-ND1 3.12Å; F235-H239 VanDerWaalsContact O-ND1 3.11Å; F235-L241 HydrophobicContact CD1-CD1 4.4Å; F235-L241 HydrophobicContact CE1-CD1 3.68Å; F235-L241 HydrophobicContact CZ-CD1 4.28Å; F235-I244 HydrophobicContact CD1-CD1 3.93Å; F235-I244 HydrophobicContact CD1-CG1 4.33Å; F235-I244 HydrophobicContact CE1-CD1 4.38Å; F235-I244 HydrophobicContact CE1-CG1 4.44Å
236L98.6Very high98.6Very high2 Ų244.7 Ų44.71%0.0123%0.232CC..Hα-helixtrans-58.6-46.6179.4-72.5176.7000111.8V232 S238 H239 E240 L241 I244 Q262V232-L236 HydrophobicContact CG1-CD1 3.99Å; V232-L236 WeakPolarHBondContact O-CG 3.27Å; V232-L236 PolarHBondContact O-N 3.4Å; L236-S238 PolarHBondContact O-N 3.36Å; L236-H239 CarbonylContact O-C 3.53Å; L236-H239 PolarHBondContact O-N 3.4Å; L236-E240 PolarHBondContact O-N 2.8Å; L236-L241 WeakPolarHBondContact CB-O 3.41Å; L236-L241 HydrophobicContact CD2-CB 3.42Å; L236-L241 VanDerWaalsContact CD2-CB 3.42Å; L236-L241 HydrophobicContact CD2-CD1 4.36Å; L236-L241 PolarHBondContact O-N 2.86Å; L236-I244 HydrophobicContact CD2-CG1 3.9Å; L236-I244 HydrophobicContact CG-CG1 4.37Å; L236-Q262 HydrophobicContact CD1-CB 3.55Å; L236-Q262 HydrophobicContact CD1-CG 4.03Å
237H98.3Very high98.6Very high160 Ų16044.1 Ų44.174%0.74123%0.229SC*.Hα-helixtrans-61.4-44.8177.8-175.764.9000112.3T233 K234 F235 H239 E240T233-H237 WeakPolarHBondContact O-CB 3.04Å; T233-H237 PolarHBondContact O-N 3.25Å; T233-H237 VanDerWaalsContact O-N 3.09Å; K234-H237 PolarHBondContact O-N 3.49Å; F235-H237 VanDerWaalsContact C-N 3.35Å; F235-H237 PolarHBondContact O-N 3.39Å; H237-H239 PolarHBondContact O-N 2.62Å; H237-E240 PolarHBondContact O-N 2.98Å
238S97.6Very high98.5Very high74 Ų7444.5 Ų44.552%0.51723%0.231SC..Hα-helixtrans-67-21.2-178.461.60000114.6K234 F235 L236K234-S238 WeakPolarHBondContact O-CB 3.4Å; K234-S238 PolarHBondContact O-N 3.3Å; K234-S238 PolarHBondContact O-OG 3.35Å; K234-S238 VanDerWaalsContact O-OG 3.08Å; F235-S238 PolarHBondContact O-N 2.95Å; F235-S238 PolarHBondContact O-OG 3.18Å; L236-S238 PolarHBondContact O-N 3.36Å
239H98.1Very high98.5Very high46 Ų4647 Ų4721%0.21324%0.243CC..THydrogen-bonded Turntrans-115.58.8-178.4-66.193.4000113M183 F235 L236 H237 L241M183-H239 HydrophobicContact CE-CB 4.17Å; F235-H239 AromaticContact CD2-CE1 3.81Å; F235-H239 AromaticContact CD2-ND1 3.64Å; F235-H239 AromaticContact CE2-CE1 3.63Å; F235-H239 AromaticContact CE2-ND1 3.6Å; F235-H239 PolarHBondContact O-N 3.4Å; F235-H239 VanDerWaalsContact O-N 3.17Å; F235-H239 PolarHBondContact O-ND1 3.12Å; F235-H239 VanDerWaalsContact O-ND1 3.11Å; L236-H239 CarbonylContact O-C 3.53Å; L236-H239 PolarHBondContact O-N 3.4Å; H237-H239 PolarHBondContact O-N 2.62Å; H239-L241 HydrophobicContact CB-CD1 3.79Å; H239-L241 HydrophobicContact CB-CG 4.04Å; H239-L241 PolarHBondContact O-N 3.5Å
240E98Very high98.5Very high157 Ų15747.2 Ų47.273%0.73424%0.24SC*.THydrogen-bonded Turntrans56.132.2179.4-57.3-177.7-132.600114.6K168 L236 H237K168-E240 PolarHBondContact NZ-O 3.16Å; L236-E240 PolarHBondContact O-N 2.8Å; H237-E240 PolarHBondContact O-N 2.98Å
241L98.5Very high98.4Very high11 Ų1144.6 Ų44.66%0.05823%0.226CC..  trans-96158.8178.2-65.8165.2000111.3I164 E167 F170 M183 F235 L236 H239I164-L241 HydrophobicContact CG2-CD2 4.16Å; E167-L241 WeakPolarHBondContact O-CD2 3.24Å; F170-L241 HydrophobicContact CB-CD1 3.75Å; F170-L241 HydrophobicContact CD2-CD1 4.46Å; F170-L241 HydrophobicContact CG-CD1 4.45Å; M183-L241 HydrophobicContact CE-CD1 4.08Å; F235-L241 HydrophobicContact CD1-CD1 4.4Å; F235-L241 HydrophobicContact CE1-CD1 3.68Å; F235-L241 HydrophobicContact CZ-CD1 4.28Å; L236-L241 WeakPolarHBondContact CB-O 3.41Å; L236-L241 HydrophobicContact CD2-CB 3.42Å; L236-L241 VanDerWaalsContact CD2-CB 3.42Å; L236-L241 HydrophobicContact CD2-CD1 4.36Å; L236-L241 PolarHBondContact O-N 2.86Å; H239-L241 HydrophobicContact CB-CD1 3.79Å; H239-L241 HydrophobicContact CB-CG 4.04Å; H239-L241 PolarHBondContact O-N 3.5Å
242D98.4Very high98.3Very high101 Ų10150.7 Ų50.754%0.5425%0.254SS..SBendtrans-108.1-31-179-64.8-21.1000113.1K168K168-D242 HydrophobicContact CB-CB 4.43Å; K168-D242 WeakPolarHBondContact CD-OD2 3.42Å; K168-D242 PolarHBondContact O-N 3.46Å
243L98.8Very high98.2Very high16 Ų1655 Ų558%0.08428%0.277CS..EExtended strand (participates in β ladder)trans-145.3141.5-172.9-179.265.9000112.1K168 I169 F170 R261 Q262 V264 M283K168-L243 PolarHBondContact O-N 2.85Å; I169-L243 CarbonylContact C-O 3.52Å; I169-L243 WeakPolarHBondContact CA-O 3.39Å; I169-L243 HydrophobicContact CD1-CD2 4.39Å; I169-L243 HydrophobicContact CG1-CB 4.32Å; I169-L243 HydrophobicContact CG1-CD2 4.48Å; I169-L243 HydrophobicContact CG2-CB 4.14Å; I169-L243 HydrophobicContact CG2-CD2 3.99Å; I169-L243 HydrophobicContact CG2-CG 4.11Å; F170-L243 PolarHBondContact N-O 3.49Å; L243-R261 WeakPolarHBondContact CD1-O 3.45Å; L243-Q262 WeakPolarHBondContact CA-O 3.37Å; L243-V264 HydrophobicContact CD1-CB 4.43Å; L243-V264 HydrophobicContact CD1-CG1 4.16Å; L243-V264 HydrophobicContact CD2-CG1 4.12Å; L243-V264 HydrophobicContact CG-CG1 4.39Å; L243-M283 HydrophobicContact CD2-CE 4.21Å; L243-M283 HydrophobicContact CD2-SD 4.33Å
244I98.9Very high98.1Very high0 Ų052 Ų520%026%0.258CS..EExtended strand (participates in β ladder)trans-99.3126.7160.4-61.8170.7000108.4F170 L176 V232 F235 L236 Q262 L263 V264F170-I244 HydrophobicContact CD1-CG2 4.36Å; F170-I244 CarbonylContact O-C 3.48Å; F170-I244 WeakPolarHBondContact O-CA 3.49Å; L176-I244 HydrophobicContact CD1-CD1 3.72Å; L176-I244 HydrophobicContact CD2-CD1 3.82Å; L176-I244 HydrophobicContact CG-CD1 3.93Å; V232-I244 HydrophobicContact CG1-CD1 4.04Å; V232-I244 HydrophobicContact CG2-CD1 4.32Å; F235-I244 HydrophobicContact CD1-CD1 3.93Å; F235-I244 HydrophobicContact CD1-CG1 4.33Å; F235-I244 HydrophobicContact CE1-CD1 4.38Å; F235-I244 HydrophobicContact CE1-CG1 4.44Å; L236-I244 HydrophobicContact CD2-CG1 3.9Å; L236-I244 HydrophobicContact CG-CG1 4.37Å; I244-Q262 PolarHBondContact N-O 3.44Å; I244-L263 HydrophobicContact CB-CB 4.12Å; I244-L263 HydrophobicContact CB-CD1 3.99Å; I244-L263 HydrophobicContact CB-CG 3.96Å; I244-L263 HydrophobicContact CD1-CD1 4.29Å; I244-L263 HydrophobicContact CG2-CD1 3.76Å; I244-L263 HydrophobicContact CG2-CG 3.99Å; I244-L263 CarbonylContact O-C 3.51Å; I244-L263 VanDerWaalsContact O-CA 3.26Å; I244-L263 WeakPolarHBondContact O-CA 3.24Å; I244-V264 PolarHBondContact O-N 3.25Å
245C98.9Very high98.2Very high0 Ų047.8 Ų47.80%024%0.239CC..EExtended strand (participates in β ladder)trans-112119.2172.6-173.70000109.2I169 F170 C171 C172 V264 L266 M283I169-C245 HydrophobicContact CG2-CB 3.79Å; F170-C245 PolarHBondContact O-N 2.9Å; C171-C245 VanDerWaalsContact CA-O 3.27Å; C171-C245 WeakPolarHBondContact CA-O 3.15Å; C172-C245 PolarHBondContact N-O 2.93Å; C245-V264 HydrophobicContact CB-CG1 4.09Å; C245-L266 VanDerWaalsContact SG-CD1 3.55Å; C245-M283 HydrophobicContact CB-CE 4.15Å
246R98.9Very high98.1Very high0 Ų052.4 Ų52.40%026%0.261CS..EExtended strand (participates in β ladder)trans-137.7173.6-176.370.379.954.2150.319112.7C172 H173 G174 S207 D208 H248 Q249 L263 V264 T265 L266C172-R246 VanDerWaalsContact O-CA 3.27Å; C172-R246 WeakPolarHBondContact O-CA 3.5Å; H173-R246 PolarHBondContact O-NE 3.41Å; G174-R246 WeakPolarHBondContact O-CB 3.39Å; G174-R246 PolarHBondContact O-NE 2.82Å; G174-R246 PolarHBondContact O-NH2 2.76Å; S207-R246 PolarHBondContact O-NH2 3.04Å; D208-R246 IonicContact OD1-CZ 2.74Å; D208-R246 IonicContact OD1-NH1 3.88Å; D208-R246 PolarHBondContact OD1-NH1 3.44Å; D208-R246 IonicContact OD1-NH2 2.81Å; D208-R246 PolarHBondContact OD1-NH2 3Å; R246-H248 PolarHBondContact NH2-CD2 3Å; R246-Q249 VanDerWaalsContact NH1-CD 3.31Å; R246-Q249 VanDerWaalsContact NH1-CG 3.27Å; R246-L263 HydrophobicContact CG-CD1 4.31Å; R246-L263 HydrophobicContact CG-CD2 4.01Å; R246-L263 HydrophobicContact CG-CG 4.29Å; R246-V264 PolarHBondContact N-O 2.94Å; R246-T265 VanDerWaalsContact CD-OG1 3.27Å; R246-T265 WeakPolarHBondContact CD-OG1 3.27Å; R246-T265 CarbonylContact O-C 3.55Å; R246-T265 WeakPolarHBondContact O-CA 3.42Å; R246-L266 PolarHBondContact O-N 3.43Å
247A98.8Very high98.1Very high0 Ų055.7 Ų55.70%028%0.275CS..  trans-127-125.2-176.800000113.3D64 L90 H173 Q249 T265 L266D64-A247 WeakPolarHBondContact OD1-CB 3.29Å; L90-A247 HydrophobicContact CB-CB 3.76Å; L90-A247 HydrophobicContact CD1-CB 3.94Å; H173-A247 PolarHBondContact O-N 3.46Å; A247-Q249 PolarHBondContact O-N 2.93Å; A247-T265 WeakPolarHBondContact O-CG2 3.44Å; A247-L266 WeakPolarHBondContact CA-O 3.46Å; A247-L266 VanDerWaalsContact CB-O 3.31Å; A247-L266 WeakPolarHBondContact CB-O 3.45Å
248H98.5Very high98.2Very high9 Ų949.4 Ų49.44%0.04225%0.246CC..SBendtrans66.1-20.2162.2-169.164.6000118.7D64 N124 H173 W206 D208 R221 R246D64-H248 PolarHBondContact OD1-N 3.38Å; N124-H248 PolarHBondContact OD1-CE1 2.65Å; N124-H248 VanDerWaalsContact OD1-CE1 3.28Å; N124-H248 PolarHBondContact OD1-ND1 3Å; H173-H248 AromaticContact CD2-CG 3.95Å; H173-H248 AromaticContact CD2-ND1 3.61Å; H173-H248 WeakPolarHBondContact NE2-CB 3.26Å; H173-H248 AromaticContact NE2-CG 3.57Å; H173-H248 AromaticContact NE2-ND1 3.08Å; H173-H248 PolarHBondContact NE2-ND1 3.05Å; W206-H248 AromaticContact CE3-CE1 3.87Å; D208-H248 IonicContact OD1-CD2 3.91Å; D208-H248 PolarHBondContact OD1-CD2 3.2Å; D208-H248 IonicContact OD2-CD2 3.51Å; R221-H248 PolarHBondContact NE-NE2 2.89Å; R221-H248 PolarHBondContact NH2-NE2 3.49Å; R221-H248 PolarHBondContact NH2-O 3.48Å; R221-H248 VanDerWaalsContact NH2-O 3.1Å; R246-H248 PolarHBondContact NH2-CD2 3Å
249Q98.1Very high98.2Very high53 Ų5346.6 Ų46.625%0.24823%0.227CC..SBendtrans-118.9128.5177.8-78.9174.8-42.100110.2D208 R246 A247 V251 T265 F267D208-Q249 VanDerWaalsContact CG-NE2 3.31Å; D208-Q249 VanDerWaalsContact OD1-CG 3.25Å; D208-Q249 WeakPolarHBondContact OD1-CG 3.38Å; D208-Q249 PolarHBondContact OD1-NE2 3.47Å; D208-Q249 PolarHBondContact OD1-OE1 3.46Å; R246-Q249 VanDerWaalsContact NH1-CD 3.31Å; R246-Q249 VanDerWaalsContact NH1-CG 3.27Å; A247-Q249 PolarHBondContact O-N 2.93Å; Q249-V251 PolarHBondContact O-N 3.03Å; Q249-T265 HydrophobicContact CB-CG2 4.09Å; Q249-F267 WeakPolarHBondContact O-CD2 3.33Å
250V97.3Very high98.2Very high43 Ų4354.1 Ų54.126%0.26126%0.259SS..  trans-64.9125.4170.8-174.60000108.5F267 Y272 F276 N278V250-F267 HydrophobicContact CB-CE2 4.47Å; V250-F267 HydrophobicContact CG1-CD1 4.49Å; V250-F267 HydrophobicContact CG1-CE1 4.47Å; V250-F267 HydrophobicContact CG2-CD2 4.3Å; V250-F267 HydrophobicContact CG2-CE1 4.05Å; V250-F267 HydrophobicContact CG2-CE2 3.73Å; V250-F267 HydrophobicContact CG2-CZ 3.62Å; V250-Y272 HydrophobicContact CG2-CD1 3.49Å; V250-Y272 VanDerWaalsContact CG2-CD1 3.49Å; V250-Y272 HydrophobicContact CG2-CE1 3.95Å; V250-Y272 HydrophobicContact CG2-CG 4.12Å; V250-F276 HydrophobicContact CG1-CB 4.31Å; V250-F276 HydrophobicContact CG1-CD1 4.05Å; V250-F276 HydrophobicContact CG1-CG 4.15Å; V250-N278 HydrophobicContact CG1-CB 3.8Å
251V97.2Very high98.2Very high9 Ų955.2 Ų55.26%0.05526%0.256CS..  trans-127143178.2-69.40000109.7Q249 D253 G254 E256 T265 F267 N278Q249-V251 PolarHBondContact O-N 3.03Å; V251-D253 PolarHBondContact O-N 2.98Å; V251-G254 VanDerWaalsContact CG2-C 3.44Å; V251-G254 PolarHBondContact O-N 2.86Å; V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.63Å; V251-E256 HydrophobicContact CG2-CB 4.41Å; V251-T265 HydrophobicContact CG1-CG2 3.75Å; V251-T265 HydrophobicContact CG2-CG2 4.35Å; V251-F267 HydrophobicContact CG2-CB 4.02Å; V251-N278 WeakPolarHBondContact O-CB 3.46Å
252E95.8Very high98.2Very high152 Ų15257.2 Ų57.271%0.7127%0.265SS*.THydrogen-bonded Turntrans-56-49.4-166-174.4174.8-17700113.2G254 N278 A279E252-G254 VanDerWaalsContact C-N 3.29Å; E252-G254 PolarHBondContact O-N 3.23Å; E252-N278 CarbonylContact O-C 3.5Å; E252-N278 VanDerWaalsContact O-CA 3.32Å; E252-N278 WeakPolarHBondContact O-CA 3.45Å; E252-A279 PolarHBondContact O-N 3.07Å
253D97Very high98.2Very high90 Ų9052.4 Ų52.448%0.48124%0.24SC..THydrogen-bonded Turntrans-89.49.3-178.3-73.8-40.6000113.5V251 Y255V251-D253 PolarHBondContact O-N 2.98Å; D253-Y255 HydrophobicContact CB-CD1 4.23Å; D253-Y255 HydrophobicContact CB-CE1 4.09Å; D253-Y255 PolarHBondContact O-N 3.01Å
254G98Very high98.2Very high0 Ų051.7 Ų51.70%024%0.236CC..SBendtrans74.3-8.1-172.700000114.1V251 E252 F267 A279 A281V251-G254 VanDerWaalsContact CG2-C 3.44Å; V251-G254 PolarHBondContact O-N 2.86Å; E252-G254 VanDerWaalsContact C-N 3.29Å; E252-G254 PolarHBondContact O-N 3.23Å; G254-F267 WeakPolarHBondContact CA-O 3.45Å; G254-F267 PolarHBondContact O-N 3.27Å; G254-F267 VanDerWaalsContact O-O 3.13Å; G254-A279 VanDerWaalsContact CA-O 3.27Å; G254-A279 WeakPolarHBondContact CA-O 3.44Å; G254-A279 PolarHBondContact N-O 3.13Å; G254-A281 VanDerWaalsContact C-CB 3.42Å; G254-A281 WeakPolarHBondContact O-CB 3.43Å
255Y98.6Very high98.2Very high65 Ų6551.9 Ų51.926%0.25524%0.237SC..EExtended strand (participates in β ladder)trans-141.1148.3166.176.3-70.5000110.8D253 F257 T265 A281 F293 I295D253-Y255 HydrophobicContact CB-CD1 4.23Å; D253-Y255 HydrophobicContact CB-CE1 4.09Å; D253-Y255 PolarHBondContact O-N 3.01Å; Y255-F257 HydrophobicContact CD2-CE2 4.32Å; Y255-F257 HydrophobicContact CE2-CD2 4.3Å; Y255-F257 HydrophobicContact CE2-CE2 4.03Å; Y255-T265 CarbonylContact C-O 3.54Å; Y255-T265 WeakPolarHBondContact CA-O 3.28Å; Y255-A281 HydrophobicContact CD1-CB 4.27Å; Y255-F293 HydrophobicContact CD1-CB 4.17Å; Y255-F293 HydrophobicContact CD1-CD1 4.12Å; Y255-F293 HydrophobicContact CD1-CG 4.12Å; Y255-F293 AromaticContact CD2-CD1 3.59Å; Y255-F293 HydrophobicContact CD2-CD1 3.59Å; Y255-F293 AromaticContact CD2-CD2 3.88Å; Y255-F293 HydrophobicContact CD2-CD2 3.88Å; Y255-F293 AromaticContact CD2-CE1 3.57Å; Y255-F293 HydrophobicContact CD2-CE1 3.57Å; Y255-F293 AromaticContact CD2-CE2 3.88Å; Y255-F293 HydrophobicContact CD2-CE2 3.88Å; Y255-F293 AromaticContact CD2-CG 3.76Å; Y255-F293 HydrophobicContact CD2-CG 3.76Å; Y255-F293 AromaticContact CD2-CZ 3.72Å; Y255-F293 HydrophobicContact CD2-CZ 3.72Å; Y255-F293 HydrophobicContact CE1-CB 4.21Å; Y255-F293 HydrophobicContact CE1-CG 4.3Å; Y255-F293 HydrophobicContact CE2-CD1 4.24Å; Y255-F293 AromaticContact CE2-CD2 3.7Å; Y255-F293 HydrophobicContact CE2-CD2 3.7Å; Y255-F293 HydrophobicContact CE2-CE1 4.35Å; Y255-F293 AromaticContact CE2-CE2 3.85Å; Y255-F293 HydrophobicContact CE2-CE2 3.85Å; Y255-F293 AromaticContact CE2-CG 3.91Å; Y255-F293 HydrophobicContact CE2-CG 3.91Å; Y255-F293 HydrophobicContact CE2-CZ 4.18Å; Y255-F293 HydrophobicContact CG-CB 4.41Å; Y255-F293 AromaticContact CG-CD1 3.53Å; Y255-F293 HydrophobicContact CG-CD1 3.53Å; Y255-F293 HydrophobicContact CG-CD2 4.45Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 AromaticContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CZ 4.46Å; Y255-I295 HydrophobicContact CD1-CD1 4.36Å; Y255-I295 HydrophobicContact CD1-CG1 4.39Å; Y255-I295 HydrophobicContact CE1-CD1 3.74Å; Y255-I295 HydrophobicContact CE1-CG1 4.2Å
256E98.6Very high98.2Very high113 Ų11351.9 Ų51.953%0.52824%0.237SC..EExtended strand (participates in β ladder)trans-145.8135.6174.2-172.1171.794.100110.8V251 V264 T265V251-E256 HydrophobicContact CB-CB 3.89Å; V251-E256 HydrophobicContact CG1-CB 3.63Å; V251-E256 HydrophobicContact CG2-CB 4.41Å; E256-V264 WeakPolarHBondContact O-CA 3.27Å; E256-T265 PolarHBondContact N-O 3.31Å; E256-T265 PolarHBondContact O-N 2.96Å
257F98.6Very high98.2Very high71 Ų7151.9 Ų51.931%0.31124%0.237SC..EExtended strand (participates in β ladder)trans-90.8144.3176.1-77.9-68.9000112.2Y255 R261 L263 V264 F293Y255-F257 HydrophobicContact CD2-CE2 4.32Å; Y255-F257 HydrophobicContact CE2-CD2 4.3Å; Y255-F257 HydrophobicContact CE2-CE2 4.03Å; F257-R261 HydrophobicContact CB-CB 4.49Å; F257-R261 HydrophobicContact CB-CG 4.03Å; F257-R261 HydrophobicContact CD1-CB 3.68Å; F257-R261 HydrophobicContact CD1-CG 3.87Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.97Å; F257-R261 HydrophobicContact CE1-CG 4.28Å; F257-R261 HydrophobicContact CE2-CG 4.49Å; F257-R261 HydrophobicContact CG-CB 4.09Å; F257-R261 HydrophobicContact CG-CG 3.75Å; F257-L263 CarbonylContact C-O 3.21Å; F257-L263 WeakPolarHBondContact CA-O 3.46Å; F257-V264 HydrophobicContact CD1-CB 3.91Å; F257-V264 HydrophobicContact CD1-CG2 4.14Å; F257-V264 HydrophobicContact CE1-CB 3.92Å; F257-V264 HydrophobicContact CE1-CG2 4.11Å; F257-F293 HydrophobicContact CE1-CZ 4.24Å; F257-F293 AromaticContact CE2-CE2 3.82Å; F257-F293 HydrophobicContact CE2-CE2 3.82Å; F257-F293 AromaticContact CE2-CZ 3.99Å; F257-F293 HydrophobicContact CE2-CZ 3.99Å; F257-F293 AromaticContact CZ-CE2 3.61Å; F257-F293 HydrophobicContact CZ-CE2 3.61Å; F257-F293 AromaticContact CZ-CZ 3.52Å; F257-F293 HydrophobicContact CZ-CZ 3.52Å
258F98.6Very high98.2Very high28 Ų2852 Ų5212%0.12324%0.237CC..EExtended strand (participates in β ladder)trans-128.6163.3174.9179-104.3000110.8P209 K211 A229 V232 K260 R261 Q262 L263P209-F258 HydrophobicContact CB-CD1 3.74Å; P209-F258 HydrophobicContact CB-CD2 4.26Å; P209-F258 HydrophobicContact CB-CE1 3.79Å; P209-F258 HydrophobicContact CB-CE2 4.31Å; P209-F258 HydrophobicContact CB-CG 3.97Å; P209-F258 HydrophobicContact CB-CZ 4.08Å; K211-F258 HydrophobicContact CB-CE2 3.93Å; A229-F258 HydrophobicContact CB-CE1 4.11Å; A229-F258 HydrophobicContact CB-CZ 3.95Å; V232-F258 HydrophobicContact CG2-CD1 4.06Å; V232-F258 HydrophobicContact CG2-CE1 3.82Å; F258-K260 PolarHBondContact O-N 2.8Å; F258-R261 WeakPolarHBondContact O-CA 3.43Å; F258-R261 PolarHBondContact O-N 3.03Å; F258-Q262 PolarHBondContact O-N 2.97Å; F258-L263 HydrophobicContact CB-CB 4.15Å; F258-L263 HydrophobicContact CB-CD2 3.79Å; F258-L263 HydrophobicContact CD1-CB 4.14Å; F258-L263 HydrophobicContact CD1-CD1 4.45Å; F258-L263 HydrophobicContact CD1-CD2 4.43Å; F258-L263 HydrophobicContact CG-CD2 4.48Å; F258-L263 PolarHBondContact N-O 2.9Å; F258-L263 PolarHBondContact O-N 3.28Å
259A98.1Very high98.1Very high14 Ų1451.6 Ų51.612%0.11624%0.236CC..G310 helixtrans47.254.517500000114A229 V232 R261 Q262A229-A259 HydrophobicContact CB-CB 3.74Å; V232-A259 HydrophobicContact CB-CB 4.02Å; V232-A259 HydrophobicContact CG1-CB 3.88Å; V232-A259 HydrophobicContact CG2-CB 4.46Å; A259-R261 VanDerWaalsContact C-N 3.31Å; A259-R261 PolarHBondContact O-N 3.33Å; A259-Q262 HydrophobicContact CB-CB 4.19Å; A259-Q262 WeakPolarHBondContact O-CB 3.19Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 3Å; A259-Q262 PolarHBondContact O-N 3.28Å; A259-Q262 VanDerWaalsContact O-N 3.12Å
260K97.5Very high98.1Very high204 Ų20449.2 Ų49.289%0.88723%0.225SC*.G310 helixtrans54.742.7-177.3-56.7177.5-179174.20113.4F258 Q262F258-K260 PolarHBondContact O-N 2.8Å; K260-Q262 VanDerWaalsContact C-N 3.26Å; K260-Q262 PolarHBondContact O-N 2.86Å
261R98.1Very high98Very high181 Ų18149 Ų4968%0.68322%0.222SC*.G310 helixtrans68.415.8-178.1-53.1-177.6166.2176.8-5.5115.2L243 F257 F258 A259 L263L243-R261 WeakPolarHBondContact CD1-O 3.45Å; F257-R261 HydrophobicContact CB-CB 4.49Å; F257-R261 HydrophobicContact CB-CG 4.03Å; F257-R261 HydrophobicContact CD1-CB 3.68Å; F257-R261 HydrophobicContact CD1-CG 3.87Å; F257-R261 HydrophobicContact CD2-CG 4.09Å; F257-R261 HydrophobicContact CE1-CB 3.97Å; F257-R261 HydrophobicContact CE1-CG 4.28Å; F257-R261 HydrophobicContact CE2-CG 4.49Å; F257-R261 HydrophobicContact CG-CB 4.09Å; F257-R261 HydrophobicContact CG-CG 3.75Å; F258-R261 WeakPolarHBondContact O-CA 3.43Å; F258-R261 PolarHBondContact O-N 3.03Å; A259-R261 VanDerWaalsContact C-N 3.31Å; A259-R261 PolarHBondContact O-N 3.33Å; R261-L263 VanDerWaalsContact C-N 3.31Å
262Q98.7Very high97.8Very high53 Ų5348.8 Ų48.825%0.24822%0.221CC..THydrogen-bonded Turntrans-79.5-14.9173.1-69.9-169-64.200113.2V232 T233 L236 L243 I244 F258 A259 K260V232-Q262 HydrophobicContact CG1-CB 3.76Å; T233-Q262 PolarHBondContact OG1-OE1 2.96Å; L236-Q262 HydrophobicContact CD1-CB 3.55Å; L236-Q262 HydrophobicContact CD1-CG 4.03Å; L243-Q262 WeakPolarHBondContact CA-O 3.37Å; I244-Q262 PolarHBondContact N-O 3.44Å; F258-Q262 PolarHBondContact O-N 2.97Å; A259-Q262 HydrophobicContact CB-CB 4.19Å; A259-Q262 WeakPolarHBondContact O-CB 3.19Å; A259-Q262 VanDerWaalsContact O-CG 3.24Å; A259-Q262 WeakPolarHBondContact O-CG 3Å; A259-Q262 PolarHBondContact O-N 3.28Å; A259-Q262 VanDerWaalsContact O-N 3.12Å; K260-Q262 VanDerWaalsContact C-N 3.26Å; K260-Q262 PolarHBondContact O-N 2.86Å
263L98.9Very high97.3Very high0 Ų043.7 Ų43.70%020%0.201CC..EExtended strand (participates in β ladder)trans-132.8142.4170.4179.7153.8000109.3P209 F227 V232 I244 R246 F257 F258 R261P209-L263 HydrophobicContact CB-CD1 4.34Å; P209-L263 HydrophobicContact CB-CD2 4.43Å; P209-L263 HydrophobicContact CG-CD2 4.07Å; F227-L263 HydrophobicContact CE2-CD1 3.82Å; F227-L263 HydrophobicContact CZ-CD1 4.09Å; V232-L263 HydrophobicContact CG1-CB 4.21Å; V232-L263 HydrophobicContact CG2-CD1 4.06Å; I244-L263 HydrophobicContact CB-CB 4.12Å; I244-L263 HydrophobicContact CB-CD1 3.99Å; I244-L263 HydrophobicContact CB-CG 3.96Å; I244-L263 HydrophobicContact CD1-CD1 4.29Å; I244-L263 HydrophobicContact CG2-CD1 3.76Å; I244-L263 HydrophobicContact CG2-CG 3.99Å; I244-L263 CarbonylContact O-C 3.51Å; I244-L263 VanDerWaalsContact O-CA 3.26Å; I244-L263 WeakPolarHBondContact O-CA 3.24Å; R246-L263 HydrophobicContact CG-CD1 4.31Å; R246-L263 HydrophobicContact CG-CD2 4.01Å; R246-L263 HydrophobicContact CG-CG 4.29Å; F257-L263 CarbonylContact C-O 3.21Å; F257-L263 WeakPolarHBondContact CA-O 3.46Å; F258-L263 HydrophobicContact CB-CB 4.15Å; F258-L263 HydrophobicContact CB-CD2 3.79Å; F258-L263 HydrophobicContact CD1-CB 4.14Å; F258-L263 HydrophobicContact CD1-CD1 4.45Å; F258-L263 HydrophobicContact CD1-CD2 4.43Å; F258-L263 HydrophobicContact CG-CD2 4.48Å; F258-L263 PolarHBondContact N-O 2.9Å; F258-L263 PolarHBondContact O-N 3.28Å; R261-L263 VanDerWaalsContact C-N 3.31Å
264V98.9Very high96.8Very high0 Ų041.5 Ų41.50%020%0.2CC..EExtended strand (participates in β ladder)trans-125.5131.3170.166.20000110.2L243 I244 C245 R246 E256 F257 L266 M283 F293L243-V264 HydrophobicContact CD1-CB 4.43Å; L243-V264 HydrophobicContact CD1-CG1 4.16Å; L243-V264 HydrophobicContact CD2-CG1 4.12Å; L243-V264 HydrophobicContact CG-CG1 4.39Å; I244-V264 PolarHBondContact O-N 3.25Å; C245-V264 HydrophobicContact CB-CG1 4.09Å; R246-V264 PolarHBondContact N-O 2.94Å; E256-V264 WeakPolarHBondContact O-CA 3.27Å; F257-V264 HydrophobicContact CD1-CB 3.91Å; F257-V264 HydrophobicContact CD1-CG2 4.14Å; F257-V264 HydrophobicContact CE1-CB 3.92Å; F257-V264 HydrophobicContact CE1-CG2 4.11Å; V264-L266 HydrophobicContact CG2-CD2 4.22Å; V264-M283 HydrophobicContact CG1-CE 4.4Å; V264-M283 HydrophobicContact CG1-SD 4.03Å; V264-F293 HydrophobicContact CG2-CE1 3.89Å; V264-F293 HydrophobicContact CG2-CZ 4.02Å
265T98.9Very high96.2Very high4 Ų446.4 Ų46.43%0.02522%0.223CC..EExtended strand (participates in β ladder)trans-93.7130168.3-63.70000108.3R246 A247 Q249 V251 Y255 E256R246-T265 VanDerWaalsContact CD-OG1 3.27Å; R246-T265 WeakPolarHBondContact CD-OG1 3.27Å; R246-T265 CarbonylContact O-C 3.55Å; R246-T265 WeakPolarHBondContact O-CA 3.42Å; A247-T265 WeakPolarHBondContact O-CG2 3.44Å; Q249-T265 HydrophobicContact CB-CG2 4.09Å; V251-T265 HydrophobicContact CG1-CG2 3.75Å; V251-T265 HydrophobicContact CG2-CG2 4.35Å; Y255-T265 CarbonylContact C-O 3.54Å; Y255-T265 WeakPolarHBondContact CA-O 3.28Å; E256-T265 PolarHBondContact N-O 3.31Å; E256-T265 PolarHBondContact O-N 2.96Å
266L98.9Very high95.7Very high0 Ų045.9 Ų45.90%022%0.222CC..EExtended strand (participates in β ladder)trans-114.4135.8173.6-63.3-179000110.3I61 L90 C245 R246 A247 V264 M283 F293I61-L266 HydrophobicContact CB-CD1 4.08Å; I61-L266 HydrophobicContact CG2-CD1 3.94Å; I61-L266 WeakPolarHBondContact O-CD1 3.43Å; L90-L266 HydrophobicContact CD1-CB 4.48Å; L90-L266 HydrophobicContact CD1-CD1 4.33Å; C245-L266 VanDerWaalsContact SG-CD1 3.55Å; R246-L266 PolarHBondContact O-N 3.43Å; A247-L266 WeakPolarHBondContact CA-O 3.46Å; A247-L266 VanDerWaalsContact CB-O 3.31Å; A247-L266 WeakPolarHBondContact CB-O 3.45Å; V264-L266 HydrophobicContact CG2-CD2 4.22Å; L266-M283 HydrophobicContact CD1-CB 3.75Å; L266-M283 HydrophobicContact CD2-CB 4.11Å; L266-F293 HydrophobicContact CD2-CD1 4.16Å; L266-F293 HydrophobicContact CD2-CE1 3.91Å
267F98.7Very high95.4Very high1 Ų147.2 Ų47.20%0.00423%0.233CC..BIsolated β-bridgetrans-135.1123.4172.7-161.5-90.2000108.5D64 Q249 V250 V251 G254 A269 Y272 G280 A281D64-F267 HydrophobicContact CB-CD2 3.85Å; D64-F267 HydrophobicContact CB-CE2 3.53Å; D64-F267 HydrophobicContact CB-CZ 3.96Å; D64-F267 WeakPolarHBondContact OD2-CE2 3.27Å; Q249-F267 WeakPolarHBondContact O-CD2 3.33Å; V250-F267 HydrophobicContact CB-CE2 4.47Å; V250-F267 HydrophobicContact CG1-CD1 4.49Å; V250-F267 HydrophobicContact CG1-CE1 4.47Å; V250-F267 HydrophobicContact CG2-CD2 4.3Å; V250-F267 HydrophobicContact CG2-CE1 4.05Å; V250-F267 HydrophobicContact CG2-CE2 3.73Å; V250-F267 HydrophobicContact CG2-CZ 3.62Å; V251-F267 HydrophobicContact CG2-CB 4.02Å; G254-F267 WeakPolarHBondContact CA-O 3.45Å; G254-F267 PolarHBondContact O-N 3.27Å; G254-F267 VanDerWaalsContact O-O 3.13Å; F267-A269 HydrophobicContact CD1-CB 4.29Å; F267-A269 HydrophobicContact CE1-CB 3.62Å; F267-A269 VanDerWaalsContact CE1-O 3.27Å; F267-A269 WeakPolarHBondContact CE1-O 3.49Å; F267-A269 HydrophobicContact CZ-CB 4.26Å; F267-Y272 AromaticContact CE1-CD2 3.92Å; F267-Y272 HydrophobicContact CE1-CD2 3.92Å; F267-Y272 AromaticContact CE1-CG 3.87Å; F267-Y272 HydrophobicContact CE1-CG 3.87Å; F267-Y272 HydrophobicContact CZ-CD1 4.13Å; F267-Y272 AromaticContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CE1 4.37Å; F267-Y272 AromaticContact CZ-CE2 3.94Å; F267-Y272 HydrophobicContact CZ-CE2 3.94Å; F267-Y272 AromaticContact CZ-CG 3.73Å; F267-Y272 HydrophobicContact CZ-CG 3.73Å; F267-G280 CarbonylContact O-C 3.59Å; F267-G280 VanDerWaalsContact O-CA 3.23Å; F267-G280 WeakPolarHBondContact O-CA 3.48Å; F267-A281 PolarHBondContact O-N 2.9Å
268S98.7Very high95.3Very high1 Ų144.1 Ų44.11%0.00722%0.219CC..  trans-107.9-1.1-168.3-62.20000114.1G63 D64 P270 A281G63-S268 PolarHBondContact N-OG 2.94Å; D64-S268 CarbonylContact O-C 3.47Å; D64-S268 VanDerWaalsContact O-C 3.28Å; D64-S268 WeakPolarHBondContact O-CA 3.38Å; D64-S268 WeakPolarHBondContact O-CB 3.25Å; D64-S268 PolarHBondContact O-N 3.31Å; D64-S268 VanDerWaalsContact O-N 3.15Å; S268-P270 WeakPolarHBondContact O-CD 3.48Å; S268-A281 PolarHBondContact OG-O 2.91Å
269A97.8Very high95.2Very high1 Ų143.1 Ų43.11%0.00822%0.216CC..  trans-96.497.3176.400000111.4D64 Q68 F267 Y272 N278D64-A269 PolarHBondContact O-N 3.22Å; Q68-A269 HydrophobicContact CG-CB 4.37Å; F267-A269 HydrophobicContact CD1-CB 4.29Å; F267-A269 HydrophobicContact CE1-CB 3.62Å; F267-A269 VanDerWaalsContact CE1-O 3.27Å; F267-A269 WeakPolarHBondContact CE1-O 3.49Å; F267-A269 HydrophobicContact CZ-CB 4.26Å; A269-Y272 HydrophobicContact CB-CD2 4.24Å; A269-N278 PolarHBondContact O-ND2 3.34Å
270P96.8Very high95.2Very high3 Ų342.5 Ų42.52%0.01921%0.211CC..THydrogen-bonded Turntrans-67.914917828.8-35.7000111.8Q68 D71 S268 Y272 N278 L296 P298Q68-P270 PolarHBondContact NE2-O 2.82Å; D71-P270 HydrophobicContact CB-CG 4.01Å; S268-P270 WeakPolarHBondContact O-CD 3.48Å; P270-Y272 VanDerWaalsContact C-N 3.29Å; P270-Y272 PolarHBondContact O-N 3.09Å; P270-N278 WeakPolarHBondContact CA-O 3.26Å; P270-L296 HydrophobicContact CG-CD2 4.07Å; P270-L296 HydrophobicContact CG-CG 4.46Å; P270-P298 HydrophobicContact CB-CG 4.44Å
271N94.9Very high95.3Very high38 Ų3832.9 Ų32.920%0.20317%0.17CC..THydrogen-bonded Turntrans47.754-177.7167.189.6000110.9C273 G274 F276 N278 P298N271-C273 PolarHBondContact O-N 2.9Å; N271-G274 PolarHBondContact O-N 2.82Å; N271-F276 CarbonylContact C-O 3.59Å; N271-F276 WeakPolarHBondContact CA-O 3.19Å; N271-F276 PolarHBondContact OD1-O 3.13Å; N271-N278 PolarHBondContact N-O 3.4Å; N271-N278 PolarHBondContact N-OD1 3Å; N271-P298 HydrophobicContact CB-CB 3.94Å; N271-P298 HydrophobicContact CB-CG 4.1Å
272Y93.1Very high95.3Very high6 Ų624.5 Ų24.52%0.02414%0.138CC..G310 helixtrans-53.9130.9-170.2179.9-122.8000111.6H66 R96 V250 F267 A269 P270 G274 E275 F276 N278H66-Y272 HydrophobicContact CB-CE2 3.8Å; H66-Y272 AromaticContact CD2-CE2 3.22Å; H66-Y272 WeakPolarHBondContact CD2-CE2 3.42Å; H66-Y272 AromaticContact CD2-CZ 3.58Å; H66-Y272 PolarHBondContact CD2-OH 2.73Å; H66-Y272 VanDerWaalsContact CD2-OH 3.27Å; H66-Y272 AromaticContact CG-CE2 3.72Å; H66-Y272 AromaticContact NE2-CE2 3.96Å; H66-Y272 AromaticContact NE2-CZ 3.82Å; H66-Y272 PolarHBondContact NE2-OH 3.29Å; R96-Y272 HydrophobicContact CB-CE2 4.33Å; R96-Y272 WeakPolarHBondContact CG-OH 3.35Å; V250-Y272 HydrophobicContact CG2-CD1 3.49Å; V250-Y272 VanDerWaalsContact CG2-CD1 3.49Å; V250-Y272 HydrophobicContact CG2-CE1 3.95Å; V250-Y272 HydrophobicContact CG2-CG 4.12Å; F267-Y272 AromaticContact CE1-CD2 3.92Å; F267-Y272 HydrophobicContact CE1-CD2 3.92Å; F267-Y272 AromaticContact CE1-CG 3.87Å; F267-Y272 HydrophobicContact CE1-CG 3.87Å; F267-Y272 HydrophobicContact CZ-CD1 4.13Å; F267-Y272 AromaticContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CD2 3.65Å; F267-Y272 HydrophobicContact CZ-CE1 4.37Å; F267-Y272 AromaticContact CZ-CE2 3.94Å; F267-Y272 HydrophobicContact CZ-CE2 3.94Å; F267-Y272 AromaticContact CZ-CG 3.73Å; F267-Y272 HydrophobicContact CZ-CG 3.73Å; A269-Y272 HydrophobicContact CB-CD2 4.24Å; P270-Y272 VanDerWaalsContact C-N 3.29Å; P270-Y272 PolarHBondContact O-N 3.09Å; Y272-G274 PolarHBondContact O-N 3.48Å; Y272-E275 PolarHBondContact O-N 2.89Å; Y272-F276 AromaticContact CD1-CD2 3.76Å; Y272-F276 HydrophobicContact CD1-CD2 3.76Å; Y272-F276 AromaticContact CD1-CE2 3.88Å; Y272-F276 HydrophobicContact CD1-CE2 3.88Å; Y272-F276 HydrophobicContact CE1-CE2 4.49Å; Y272-F276 HydrophobicContact CG-CD2 4.41Å; Y272-F276 WeakPolarHBondContact O-CD2 3.48Å; Y272-F276 PolarHBondContact O-N 3.27Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.17Å; Y272-N278 PolarHBondContact N-OD1 3.1Å
273C86.4Confident95.3Very high44 Ų4422 Ų2230%0.29713%0.127SC..G310 helixtrans55.64.6-175-64.30000115.5N271 E275N271-C273 PolarHBondContact O-N 2.9Å; C273-E275 HydrophobicContact CB-CB 4.48Å; C273-E275 HydrophobicContact CB-CG 4.29Å; C273-E275 PolarHBondContact O-N 3.42Å
274G85.6Confident95.3Very high44 Ų4422.7 Ų22.745%0.45413%0.132SC..G310 helixtrans71.711-168.500000114.8N271 Y272N271-G274 PolarHBondContact O-N 2.82Å; Y272-G274 PolarHBondContact O-N 3.48Å
275E85.6Confident95.2Very high104 Ų10422.9 Ų22.949%0.48613%0.133SC..THydrogen-bonded Turntrans-111.4-28-175-65-17917700112.4Y272 C273Y272-E275 PolarHBondContact O-N 2.89Å; C273-E275 HydrophobicContact CB-CB 4.48Å; C273-E275 HydrophobicContact CB-CG 4.29Å; C273-E275 PolarHBondContact O-N 3.42Å
276F88Confident95.2Very high53 Ų5325.9 Ų25.923%0.23215%0.149CC..  trans-100.4150.4175.8-62.5-96.3000110V250 N271 Y272 N278V250-F276 HydrophobicContact CG1-CB 4.31Å; V250-F276 HydrophobicContact CG1-CD1 4.05Å; V250-F276 HydrophobicContact CG1-CG 4.15Å; N271-F276 CarbonylContact C-O 3.59Å; N271-F276 WeakPolarHBondContact CA-O 3.19Å; N271-F276 PolarHBondContact OD1-O 3.13Å; Y272-F276 AromaticContact CD1-CD2 3.76Å; Y272-F276 HydrophobicContact CD1-CD2 3.76Å; Y272-F276 AromaticContact CD1-CE2 3.88Å; Y272-F276 HydrophobicContact CD1-CE2 3.88Å; Y272-F276 HydrophobicContact CE1-CE2 4.49Å; Y272-F276 HydrophobicContact CG-CD2 4.41Å; Y272-F276 WeakPolarHBondContact O-CD2 3.48Å; Y272-F276 PolarHBondContact O-N 3.27Å; F276-N278 VanDerWaalsContact C-N 3.33Å; F276-N278 HydrophobicContact CB-CB 4.5Å; F276-N278 VanDerWaalsContact CB-OD1 3.31Å; F276-N278 WeakPolarHBondContact CB-OD1 3.49Å
277D92.1Very high95.1Very high142 Ų14233.5 Ų33.576%0.75918%0.184SC*.  trans-97.820.9173.7-76.3-30.4000112.1
278N96.8Very high95Very high5 Ų538.4 Ų38.43%0.02721%0.214CC..PPolyproline II helixtrans-68.3150.3-177.572.6-68.9000113.1V250 V251 E252 A269 P270 N271 Y272 F276 P298V250-N278 HydrophobicContact CG1-CB 3.8Å; V251-N278 WeakPolarHBondContact O-CB 3.46Å; E252-N278 CarbonylContact O-C 3.5Å; E252-N278 VanDerWaalsContact O-CA 3.32Å; E252-N278 WeakPolarHBondContact O-CA 3.45Å; A269-N278 PolarHBondContact O-ND2 3.34Å; P270-N278 WeakPolarHBondContact CA-O 3.26Å; N271-N278 PolarHBondContact N-O 3.4Å; N271-N278 PolarHBondContact N-OD1 3Å; Y272-N278 WeakPolarHBondContact CB-OD1 3.17Å; Y272-N278 PolarHBondContact N-OD1 3.1Å; F276-N278 VanDerWaalsContact C-N 3.33Å; F276-N278 HydrophobicContact CB-CB 4.5Å; F276-N278 VanDerWaalsContact CB-OD1 3.31Å; F276-N278 WeakPolarHBondContact CB-OD1 3.49Å; N278-P298 WeakPolarHBondContact O-CG 3.13Å
279A97.1Very high94.8Very high8 Ų840.9 Ų40.97%0.06623%0.228CC..PPolyproline II helixtrans-79.5165.7161.800000111.4E252 G254 I295E252-A279 PolarHBondContact O-N 3.07Å; G254-A279 VanDerWaalsContact CA-O 3.27Å; G254-A279 WeakPolarHBondContact CA-O 3.44Å; G254-A279 PolarHBondContact N-O 3.13Å; A279-I295 HydrophobicContact CB-CG2 3.57Å
280G98Very high94.8Very high1 Ų144.6 Ų44.61%0.0125%0.25CC..EExtended strand (participates in β ladder)trans-99.4151.4162.500000109.6F267 I295 L296F267-G280 CarbonylContact O-C 3.59Å; F267-G280 VanDerWaalsContact O-CA 3.23Å; F267-G280 WeakPolarHBondContact O-CA 3.48Å; G280-I295 CarbonylContact O-C 3.55Å; G280-I295 WeakPolarHBondContact O-CA 3.49Å; G280-L296 PolarHBondContact N-O 3.12Å; G280-L296 PolarHBondContact O-N 3.07Å
281A98.5Very high94.8Very high2 Ų246.6 Ų46.62%0.01726%0.264CS..EExtended strand (participates in β ladder)trans-134.8159.917000000112.3G254 Y255 F267 S268 Q294 I295G254-A281 VanDerWaalsContact C-CB 3.42Å; G254-A281 WeakPolarHBondContact O-CB 3.43Å; Y255-A281 HydrophobicContact CD1-CB 4.27Å; F267-A281 PolarHBondContact O-N 2.9Å; S268-A281 PolarHBondContact OG-O 2.91Å; A281-Q294 WeakPolarHBondContact CA-O 3.35Å; A281-I295 HydrophobicContact CB-CG1 4.49Å
282M98.5Very high95Very high4 Ų447.7 Ų47.72%0.0228%0.275CS..EExtended strand (participates in β ladder)trans-125.3146160.165.5170.370.600109.2K60 I61 L75 Y87 F293 Q294K60-M282 HydrophobicContact CB-SD 4.28Å; K60-M282 HydrophobicContact CD-SD 3.82Å; K60-M282 HydrophobicContact CG-SD 4.24Å; I61-M282 CarbonylContact O-C 3.46Å; I61-M282 WeakPolarHBondContact O-CA 3.42Å; L75-M282 HydrophobicContact CB-CE 4.33Å; L75-M282 HydrophobicContact CD1-CE 4.3Å; L75-M282 HydrophobicContact CD2-CE 3.24Å; L75-M282 HydrophobicContact CG-CE 3.3Å; L75-M282 VanDerWaalsContact O-CE 3.24Å; L75-M282 WeakPolarHBondContact O-CE 3.48Å; Y87-M282 HydrophobicContact CE1-CE 4.44Å; M282-F293 WeakPolarHBondContact O-CA 3.15Å; M282-Q294 HydrophobicContact CG-CB 3.65Å; M282-Q294 HydrophobicContact CG-CG 4.46Å; M282-Q294 PolarHBondContact N-O 2.79Å; M282-Q294 PolarHBondContact O-N 2.82Å; M282-Q294 HydrophobicContact SD-CB 4.26Å; M282-Q294 PolarHBondContact SD-OE1 2.75Å
283M98.7Very high95.2Very high0 Ų049.8 Ų49.80%028%0.284CS..EExtended strand (participates in β ladder)trans-97.4121.6172.5-173.6172.17200109.2K60 I61 L243 C245 V264 L266 V285 C291 S292 F293K60-M283 CarbonylContact C-O 3.3Å; K60-M283 WeakPolarHBondContact CA-O 3.5Å; I61-M283 HydrophobicContact CD1-CE 3.75Å; I61-M283 HydrophobicContact CG1-CE 4.44Å; I61-M283 PolarHBondContact N-O 2.78Å; I61-M283 PolarHBondContact O-N 2.97Å; L243-M283 HydrophobicContact CD2-CE 4.21Å; L243-M283 HydrophobicContact CD2-SD 4.33Å; C245-M283 HydrophobicContact CB-CE 4.15Å; V264-M283 HydrophobicContact CG1-CE 4.4Å; V264-M283 HydrophobicContact CG1-SD 4.03Å; L266-M283 HydrophobicContact CD1-CB 3.75Å; L266-M283 HydrophobicContact CD2-CB 4.11Å; M283-V285 HydrophobicContact CE-CG2 3.89Å; M283-V285 HydrophobicContact CG-CG2 4.4Å; M283-C291 HydrophobicContact CG-CB 4.13Å; M283-C291 HydrophobicContact SD-CB 3.89Å; M283-S292 CarbonylContact C-O 3.55Å; M283-S292 WeakPolarHBondContact CA-O 3.32Å; M283-F293 HydrophobicContact CB-CD1 4.11Å; M283-F293 HydrophobicContact CB-CE1 3.94Å; M283-F293 HydrophobicContact CG-CD1 4.24Å; M283-F293 HydrophobicContact CG-CE1 3.8Å; M283-F293 HydrophobicContact CG-CZ 4.23Å; M283-F293 HydrophobicContact SD-CE1 3.85Å; M283-F293 HydrophobicContact SD-CZ 3.97Å
284S98.6Very high95.7Very high16 Ų1649.7 Ų49.711%0.11228%0.279CS..EExtended strand (participates in β ladder)trans-92.3124.9169.3-58.80000108.9K60 C291 S292 Q294K60-S284 PolarHBondContact NZ-OG 3.24Å; S284-C291 WeakPolarHBondContact O-CA 3.41Å; S284-S292 PolarHBondContact N-O 3.4Å; S284-S292 PolarHBondContact O-N 2.95Å; S284-Q294 PolarHBondContact OG-OE1 2.91Å
285V98.6Very high96.3Very high3 Ų350.4 Ų50.42%0.01827%0.272CS..EExtended strand (participates in β ladder)trans-107.9119.8173.4-173.30000106.8A57 P58 L59 I61 I169 M283 L289A57-V285 HydrophobicContact CB-CG1 4.02Å; P58-V285 CarbonylContact C-O 3.09Å; P58-V285 VanDerWaalsContact CA-O 3.22Å; P58-V285 WeakPolarHBondContact CA-O 3.47Å; L59-V285 HydrophobicContact CD2-CB 4.08Å; L59-V285 HydrophobicContact CD2-CG2 4.46Å; L59-V285 PolarHBondContact N-O 3.46Å; L59-V285 PolarHBondContact O-N 3.11Å; I61-V285 HydrophobicContact CD1-CG2 4.14Å; I61-V285 HydrophobicContact CG1-CG2 4.48Å; I169-V285 HydrophobicContact CD1-CG1 3.98Å; I169-V285 HydrophobicContact CD1-CG2 4.03Å; M283-V285 HydrophobicContact CE-CG2 3.89Å; M283-V285 HydrophobicContact CG-CG2 4.4Å; V285-L289 HydrophobicContact CG1-CD2 3.83Å
286D97.7Very high96.6Very high67 Ų6746.5 Ų46.536%0.35825%0.254SS..  trans-88.5174.9175.873.418.6000112.5A57 T288 L289 T290A57-D286 VanDerWaalsContact CB-O 3.23Å; A57-D286 WeakPolarHBondContact CB-O 3.36Å; D286-T288 PolarHBondContact O-N 2.93Å; D286-T288 WeakPolarHBondContact OD1-CA 3.5Å; D286-T288 WeakPolarHBondContact OD1-CB 3.38Å; D286-T288 PolarHBondContact OD1-N 2.77Å; D286-T288 PolarHBondContact OD1-OG1 3.38Å; D286-L289 WeakPolarHBondContact O-CA 3.46Å; D286-L289 PolarHBondContact O-N 3.07Å; D286-L289 PolarHBondContact OD1-N 3.23Å; D286-T290 PolarHBondContact N-O 3.08Å; D286-T290 VanDerWaalsContact N-O 3.16Å; D286-T290 WeakPolarHBondContact OD1-CB 3.46Å; D286-T290 PolarHBondContact OD1-N 3.11Å; D286-T290 WeakPolarHBondContact OD2-CB 3.4Å
287E96.2Very high96.8Very high160 Ų16051.3 Ų51.375%0.74828%0.275SS*.THydrogen-bonded Turntrans-58.4-16.1-179.7-66.4173.8-169.500114P58P58-E287 HydrophobicContact CG-CG 4.29Å
288T96.8Very high96.5Very high104 Ų10446.9 Ų46.964%0.63825%0.254SS*.THydrogen-bonded Turntrans-98.19.3176.669.60000112.8D286 T290D286-T288 PolarHBondContact O-N 2.93Å; D286-T288 WeakPolarHBondContact OD1-CA 3.5Å; D286-T288 WeakPolarHBondContact OD1-CB 3.38Å; D286-T288 PolarHBondContact OD1-N 2.77Å; D286-T288 PolarHBondContact OD1-OG1 3.38Å; T288-T290 PolarHBondContact O-N 3.11Å; T288-T290 PolarHBondContact OG1-OG1 3.06Å
289L95.1Very high95.6Very high54 Ų5449.7 Ų49.728%0.28328%0.278SS..  trans6117.9-170.7-65169.1000114.2V165 D166 K168 I169 V285 D286 C291V165-L289 HydrophobicContact CG1-CD2 4.49Å; D166-L289 HydrophobicContact CB-CD1 4.03Å; D166-L289 HydrophobicContact CB-CD2 3.66Å; D166-L289 HydrophobicContact CB-CG 4.22Å; K168-L289 HydrophobicContact CB-CD1 3.93Å; K168-L289 HydrophobicContact CG-CD1 3.76Å; I169-L289 HydrophobicContact CD1-CD2 4.29Å; V285-L289 HydrophobicContact CG1-CD2 3.83Å; D286-L289 WeakPolarHBondContact O-CA 3.46Å; D286-L289 PolarHBondContact O-N 3.07Å; D286-L289 PolarHBondContact OD1-N 3.23Å; L289-C291 PolarHBondContact O-N 3.01Å
290T97.2Very high94.2Very high78 Ų7855.6 Ų55.648%0.47931%0.308SS..  trans-71.3120.1173.2-60.50000108.9D286 T288D286-T290 PolarHBondContact N-O 3.08Å; D286-T290 VanDerWaalsContact N-O 3.16Å; D286-T290 WeakPolarHBondContact OD1-CB 3.46Å; D286-T290 PolarHBondContact OD1-N 3.11Å; D286-T290 WeakPolarHBondContact OD2-CB 3.4Å; T288-T290 PolarHBondContact O-N 3.11Å; T288-T290 PolarHBondContact OG1-OG1 3.06Å
291C98Very high92.3Very high45 Ų4562.3 Ų62.330%0.30434%0.337SS..EExtended strand (participates in β ladder)trans-93.5125.9179.3-64.20000110.7M283 S284 L289M283-C291 HydrophobicContact CG-CB 4.13Å; M283-C291 HydrophobicContact SD-CB 3.89Å; S284-C291 WeakPolarHBondContact O-CA 3.41Å; L289-C291 PolarHBondContact O-N 3.01Å
292S97.9Very high89.8Confident62 Ų6272.1 Ų72.143%0.43438%0.379SS..EExtended strand (participates in β ladder)trans-128.8155.4173.961.90000111.1M283 S284M283-S292 CarbonylContact C-O 3.55Å; M283-S292 WeakPolarHBondContact CA-O 3.32Å; S284-S292 PolarHBondContact N-O 3.4Å; S284-S292 PolarHBondContact O-N 2.95Å
293F98.2Very high87.1Confident50 Ų5080.3 Ų80.322%0.21942%0.415CS..EExtended strand (participates in β ladder)trans-115.7129.4-174.3-59-86.3000111.3Y255 F257 V264 L266 M282 M283Y255-F293 HydrophobicContact CD1-CB 4.17Å; Y255-F293 HydrophobicContact CD1-CD1 4.12Å; Y255-F293 HydrophobicContact CD1-CG 4.12Å; Y255-F293 AromaticContact CD2-CD1 3.59Å; Y255-F293 HydrophobicContact CD2-CD1 3.59Å; Y255-F293 AromaticContact CD2-CD2 3.88Å; Y255-F293 HydrophobicContact CD2-CD2 3.88Å; Y255-F293 AromaticContact CD2-CE1 3.57Å; Y255-F293 HydrophobicContact CD2-CE1 3.57Å; Y255-F293 AromaticContact CD2-CE2 3.88Å; Y255-F293 HydrophobicContact CD2-CE2 3.88Å; Y255-F293 AromaticContact CD2-CG 3.76Å; Y255-F293 HydrophobicContact CD2-CG 3.76Å; Y255-F293 AromaticContact CD2-CZ 3.72Å; Y255-F293 HydrophobicContact CD2-CZ 3.72Å; Y255-F293 HydrophobicContact CE1-CB 4.21Å; Y255-F293 HydrophobicContact CE1-CG 4.3Å; Y255-F293 HydrophobicContact CE2-CD1 4.24Å; Y255-F293 AromaticContact CE2-CD2 3.7Å; Y255-F293 HydrophobicContact CE2-CD2 3.7Å; Y255-F293 HydrophobicContact CE2-CE1 4.35Å; Y255-F293 AromaticContact CE2-CE2 3.85Å; Y255-F293 HydrophobicContact CE2-CE2 3.85Å; Y255-F293 AromaticContact CE2-CG 3.91Å; Y255-F293 HydrophobicContact CE2-CG 3.91Å; Y255-F293 HydrophobicContact CE2-CZ 4.18Å; Y255-F293 HydrophobicContact CG-CB 4.41Å; Y255-F293 AromaticContact CG-CD1 3.53Å; Y255-F293 HydrophobicContact CG-CD1 3.53Å; Y255-F293 HydrophobicContact CG-CD2 4.45Å; Y255-F293 AromaticContact CG-CE1 3.86Å; Y255-F293 HydrophobicContact CG-CE1 3.86Å; Y255-F293 AromaticContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CG 3.87Å; Y255-F293 HydrophobicContact CG-CZ 4.46Å; F257-F293 HydrophobicContact CE1-CZ 4.24Å; F257-F293 AromaticContact CE2-CE2 3.82Å; F257-F293 HydrophobicContact CE2-CE2 3.82Å; F257-F293 AromaticContact CE2-CZ 3.99Å; F257-F293 HydrophobicContact CE2-CZ 3.99Å; F257-F293 AromaticContact CZ-CE2 3.61Å; F257-F293 HydrophobicContact CZ-CE2 3.61Å; F257-F293 AromaticContact CZ-CZ 3.52Å; F257-F293 HydrophobicContact CZ-CZ 3.52Å; V264-F293 HydrophobicContact CG2-CE1 3.89Å; V264-F293 HydrophobicContact CG2-CZ 4.02Å; L266-F293 HydrophobicContact CD2-CD1 4.16Å; L266-F293 HydrophobicContact CD2-CE1 3.91Å; M282-F293 WeakPolarHBondContact O-CA 3.15Å; M283-F293 HydrophobicContact CB-CD1 4.11Å; M283-F293 HydrophobicContact CB-CE1 3.94Å; M283-F293 HydrophobicContact CG-CD1 4.24Å; M283-F293 HydrophobicContact CG-CE1 3.8Å; M283-F293 HydrophobicContact CG-CZ 4.23Å; M283-F293 HydrophobicContact SD-CE1 3.85Å; M283-F293 HydrophobicContact SD-CZ 3.97Å
294Q97.1Very high84.3Confident41 Ų4185.6 Ų85.619%0.19244%0.438CS..EExtended strand (participates in β ladder)trans-106112.2171.5-68.7-177.1-63.300108.2Y78 A281 M282 S284Y78-Q294 HydrophobicContact CD1-CB 3.94Å; Y78-Q294 HydrophobicContact CE1-CB 3.59Å; Y78-Q294 HydrophobicContact CE1-CG 4.2Å; Y78-Q294 PolarHBondContact O-NE2 3.48Å; A281-Q294 WeakPolarHBondContact CA-O 3.35Å; M282-Q294 HydrophobicContact CG-CB 3.65Å; M282-Q294 HydrophobicContact CG-CG 4.46Å; M282-Q294 PolarHBondContact N-O 2.79Å; M282-Q294 PolarHBondContact O-N 2.82Å; M282-Q294 HydrophobicContact SD-CB 4.26Å; M282-Q294 PolarHBondContact SD-OE1 2.75Å; S284-Q294 PolarHBondContact OG-OE1 2.91Å
295I96.8Very high80.9Confident59 Ų5992.7 Ų92.730%0.30348%0.475SS..EExtended strand (participates in β ladder)trans-99.5122.4-172.5-54170.6000110.2Y255 A279 G280 A281Y255-I295 HydrophobicContact CD1-CD1 4.36Å; Y255-I295 HydrophobicContact CD1-CG1 4.39Å; Y255-I295 HydrophobicContact CE1-CD1 3.74Å; Y255-I295 HydrophobicContact CE1-CG1 4.2Å; A279-I295 HydrophobicContact CB-CG2 3.57Å; G280-I295 CarbonylContact O-C 3.55Å; G280-I295 WeakPolarHBondContact O-CA 3.49Å; A281-I295 HydrophobicContact CB-CG1 4.49Å
296L93.2Very high78.4Confident22 Ų22100.3 Ų100.312%0.11551%0.508CS..EExtended strand (participates in β ladder)trans-9599.5172.5-171.468.9000110.2D71 R74 P270 G280D71-L296 HydrophobicContact CB-CD2 4.38Å; R74-L296 HydrophobicContact CB-CD1 4.1Å; R74-L296 HydrophobicContact CB-CD2 3.98Å; P270-L296 HydrophobicContact CG-CD2 4.07Å; P270-L296 HydrophobicContact CG-CG 4.46Å; G280-L296 PolarHBondContact N-O 3.12Å; G280-L296 PolarHBondContact O-N 3.07Å
297K91.1Very high75.1Confident155 Ų155108.4 Ų108.467%0.67453%0.533SS*.PPolyproline II helixtrans-66.3151.6174.6-66.4-171.3178.1-172.80112R74R74-K297 PolarHBondContact NH2-O 3.17Å
298P86.8Confident72.2Confident49 Ų49105.3 Ų105.332%0.31853%0.53SS..PPolyproline II helixtrans-49.7141.2172.9-28.136000112.2P270 N271 N278P270-P298 HydrophobicContact CB-CG 4.44Å; N271-P298 HydrophobicContact CB-CB 3.94Å; N271-P298 HydrophobicContact CB-CG 4.1Å; N278-P298 WeakPolarHBondContact O-CG 3.13Å
299A77.6Confident69.2Low64 Ų64108.3 Ų108.353%0.52954%0.541SS..PPolyproline II helixtrans-69.9133.8174.300000110.3K301A299-K301 PolarHBondContact O-N 2.89Å; A299-K301 VanDerWaalsContact O-N 3.08Å
300D67.9Low66.2Low131 Ų131112.9 Ų112.970%0.70157%0.565SS**  trans-55.9115178.4-81.8-40.1000111.9K302 K303D300-K302 PolarHBondContact O-N 2.93Å; D300-K303 PolarHBondContact O-N 3.49Å
301K57.9Low63.4Low143 Ų143113.1 Ų113.162%0.62257%0.571SS**G310 helixtrans-55.2-23.8175.9-70.1178.3-179.1165.90112.5A299 K303 F304A299-K301 PolarHBondContact O-N 2.89Å; A299-K301 VanDerWaalsContact O-N 3.08Å; K301-K303 PolarHBondContact O-N 3.48Å; K301-K303 VanDerWaalsContact O-N 3.14Å; K301-F304 PolarHBondContact O-N 3.2Å
302K45.4Very low60.3Low207 Ų207114.8 Ų114.890%0.960%0.595SS**G310 helixtrans-64.2-14.8-178.3-72.4-173.9179.7177.10115D300D300-K302 PolarHBondContact O-N 2.93Å
303K43Very low57.4Low177 Ų177116.5 Ų116.577%0.7759%0.592SS**G310 helixtrans-85.9-11.2176.9-76.5-173.1178.2177.90114.7D300 K301D300-K303 PolarHBondContact O-N 3.49Å; K301-K303 PolarHBondContact O-N 3.48Å; K301-K303 VanDerWaalsContact O-N 3.14Å
304F40.4Very low54.3Low110 Ų110117.9 Ų117.948%0.48261%0.606SS.*  trans-144.1104.2-178.6-66.4-80.3000112.3R23 K301 F306R23-F304 HydrophobicContact CG-CD1 4.39Å; R23-F304 HydrophobicContact CG-CE1 4.06Å; K301-F304 PolarHBondContact O-N 3.2Å; F304-F306 PolarHBondContact O-N 3.46Å; F304-F306 VanDerWaalsContact O-N 3.09Å
305N26.9Very low51.7Low165 Ų165119.9 Ų119.988%0.88262%0.621SS**  trans-60.2110167.9-89.9-13.7000109.9
306F44.5Very low49.2Very low164 Ų164118.5 Ų118.572%0.71962%0.616SS**  trans-131.2124166.3-128.1-81.8000110.3R23 F304 S308R23-F306 VanDerWaalsContact NH2-CD2 3.25Å; F304-F306 PolarHBondContact O-N 3.46Å; F304-F306 VanDerWaalsContact O-N 3.09Å; F306-S308 PolarHBondContact O-N 3.39Å
307R28.1Very low46.2Very low236 Ų236121.6 Ų121.689%0.89164%0.637SS**  trans-68.3113.5164-77177.1169.1176.1-4.4107.5L309R307-L309 PolarHBondContact O-N 3.06Å
308S35.6Very low43.6Very low96 Ų96118.4 Ų118.467%0.67163%0.632SS**  trans-69.2120.4172.8-172.70000109.6F306 N310F306-S308 PolarHBondContact O-N 3.39Å; S308-N310 PolarHBondContact OG-OD1 2.98Å
309L33.9Very low41.2Very low167 Ų167122 Ų12287%0.87464%0.639SS**  trans-86103.3154.7-95.6136.6000105.7R307 S311R307-L309 PolarHBondContact O-N 3.06Å; L309-S311 PolarHBondContact O-N 2.94Å
310N31.7Very low39.2Very low149 Ų149125.8 Ų125.880%0.79765%0.65SS**  trans-64.1113.7171.8-83.55.5000109.3S308S308-N310 PolarHBondContact OG-OD1 2.98Å
311S38.5Very low37.5Very low84 Ų84124.4 Ų124.459%0.58765%0.651SS**  trans-106.2110.8153.547.80000105.7L309 W313L309-S311 PolarHBondContact O-N 2.94Å; S311-W313 PolarHBondContact O-N 2.86Å; S311-W313 PolarHBondContact OG-NE1 2.66Å
312G33.1Very low36.2Very low80 Ų80126.8 Ų126.883%0.82566%0.661SS**  trans-69.2115.6-17900000110.2
313W38.6Very low35.5Very low98 Ų98124.4 Ų124.437%0.37166%0.658SS.*PPolyproline II helixtrans-98.2151.2169.7-69.581.4000108.9S311 V315S311-W313 PolarHBondContact O-N 2.86Å; S311-W313 PolarHBondContact OG-NE1 2.66Å; W313-V315 PolarHBondContact O-N 2.92Å
314P31.8Very low34.9Very low79 Ų79124.4 Ų124.451%0.51366%0.66SS.*PPolyproline II helixtrans-67.3124.7-178.4-3.915.6000110.4R96 Y134R96-P314 PolarHBondContact NH1-O 2.86Å; Y134-P314 HydrophobicContact CE1-CG 4.33Å
315V43.1Very low34.5Very low82 Ų82126.8 Ų126.850%0.49768%0.679SS.*PPolyproline II helixtrans-68.1137.4-178.7-179.80000110.4W313W313-V315 PolarHBondContact O-N 2.92Å
316T43.3Very low34.9Very low31 Ų31131.9 Ų131.919%0.1969%0.693CS.*PPolyproline II helixtrans-65.4123.3163.3-43.80000107.3P318T316-P318 WeakPolarHBondContact O-CD 3.28Å; T316-P318 VanDerWaalsContact O-N 3.14Å
317P30.7Very low34.4Very low86 Ų86130.3 Ų130.356%0.55869%0.691SS**PPolyproline II helixtrans-60.3123-168.1-11.821.5000110.4
318P36.5Very low34.8Very low89 Ų89124.7 Ų124.758%0.57868%0.681SS**PPolyproline II helixtrans-74.8131.117229.1-30000108.8T316 N320T316-P318 WeakPolarHBondContact O-CD 3.28Å; T316-P318 VanDerWaalsContact O-N 3.14Å; P318-N320 PolarHBondContact O-N 2.66Å
319R37.5Very low34.7Very low125 Ų125126.3 Ų126.347%0.47268%0.681SS.*SBendtrans-77.795.4174.1-158.1175.1-171.9-152.21.5109.8D210 D212D210-R319 VanDerWaalsContact CG-NH2 3.25Å; D210-R319 IonicContact OD1-CZ 3.36Å; D210-R319 IonicContact OD1-NH1 2.66Å; D210-R319 PolarHBondContact OD1-NH1 3.11Å; D210-R319 IonicContact OD1-NH2 3.18Å; D210-R319 PolarHBondContact OD1-NH2 3.3Å; D210-R319 IonicContact OD2-CZ 3.19Å; D210-R319 IonicContact OD2-NH1 3.16Å; D210-R319 PolarHBondContact OD2-NH1 3.2Å; D210-R319 VanDerWaalsContact OD2-NH1 3.16Å; D210-R319 IonicContact OD2-NH2 2.65Å; D210-R319 PolarHBondContact OD2-NH2 3.03Å; D212-R319 IonicContact OD2-NH1 3.76Å
320N33.9Very low34.8Very low142 Ų142123.9 Ų123.976%0.75967%0.67SS**  trans136.174.7164.8-76.7-35.2000111.7P318P318-N320 PolarHBondContact O-N 2.66Å
321S32.3Very low35Very low102 Ų102122.3 Ų122.371%0.71366%0.662SS**  trans-116.2101.114358.70000106.8L323S321-L323 PolarHBondContact O-N 3.13Å
322K30.7Very low34.7Very low193 Ų193124.9 Ų124.984%0.83967%0.667SS**  trans-59.9112.2162.9-76.5-175.9175.6-177.90105.9E324K322-E324 VanDerWaalsContact C-N 3.34Å; K322-E324 PolarHBondContact O-N 2.91Å
323L30.3Very low34.8Very low158 Ų158128.1 Ų128.183%0.82766%0.656SS**  trans-62.5103.5159.6-76160.4000105.8S321 D325S321-L323 PolarHBondContact O-N 3.13Å; L323-D325 PolarHBondContact O-N 2.95Å
324E30.6Very low34.6Very low176 Ų176130.4 Ų130.482%0.82268%0.678SS**  trans-66.9109.7156-76.2-173.7160.500106.4K322 K326K322-E324 VanDerWaalsContact C-N 3.34Å; K322-E324 PolarHBondContact O-N 2.91Å; E324-K326 PolarHBondContact O-N 2.89Å
325D33.2Very low34.8Very low161 Ų161134.7 Ų134.786%0.86169%0.691SS**  trans-55.9122.7167.1-76.1-36.2000109.2L323L323-D325 PolarHBondContact O-N 2.95Å
326K35.4Very low34Very low271 Ų271139.5 Ų139.5100%1.17871%0.709SS**  trans-1230161.3-91.2-168.3178.2178.90109.9E324E324-K326 PolarHBondContact O-N 2.89Å

Retrieved 326 of 326 residues in 155.9 ms (Link to these results)

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