A0A087XUW0_POEFO Loading...

T-box transcription factor 1

AlphaFold DB , UniProt , Accession A0A087XUW0, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 455 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
1M31.8Very low38.9Very low235 Ų235121.5 Ų121.5100%1.15859%0.591SS**  060.30-61.2167.4-179.500110
2H29.5Very low39.5Very low167 Ų167115.9 Ų115.977%0.77358%0.579SS**  trans-107.3-8.4-172.7-86.7113.6000115.1
3Y33.3Very low40.5Very low203 Ų203110.8 Ų110.880%0.79655%0.551SS**Hα-helixtrans-73.5-26.5-176-71.6-77.5000114.7T5 T7Y3-T5 PolarHBondContact O-N 3.5Å; Y3-T7 PolarHBondContact O-N 3.48Å; Y3-T7 PolarHBondContact O-OG1 3.4Å
4S37Very low41.5Very low85 Ų85103.8 Ų103.859%0.59452%0.517SS*.Hα-helixtrans-68.1-31.4-169.9-167.50000114.4T7 R8S4-T7 PolarHBondContact O-OG1 2.85Å; S4-R8 VanDerWaalsContact O-CB 3.25Å; S4-R8 WeakPolarHBondContact O-CB 3.39Å; S4-R8 PolarHBondContact O-N 3.37Å
5T34.7Very low42.2Very low79 Ų7999.8 Ų99.849%0.48550%0.501SS..Hα-helixtrans-73.7-50.7-178.7-40.50000110.8Y3 T7 R8 E9Y3-T5 PolarHBondContact O-N 3.5Å; T5-T7 VanDerWaalsContact C-N 3.35Å; T5-T7 PolarHBondContact O-N 2.9Å; T5-R8 PolarHBondContact O-N 2.63Å; T5-R8 VanDerWaalsContact O-N 3.09Å; T5-E9 HydrophobicContact CG2-CG 4.44Å; T5-E9 WeakPolarHBondContact O-CB 3.32Å; T5-E9 WeakPolarHBondContact O-CG 3.31Å; T5-E9 PolarHBondContact O-N 3.37Å
6V37.9Very low42.4Very low76 Ų7698 Ų9846%0.46150%0.5SS..Hα-helixtrans-60.6-42.4-177.9-176.50000111.5M10V6-M10 HydrophobicContact CG1-CE 3.86Å; V6-M10 HydrophobicContact CG1-CG 4.49Å; V6-M10 HydrophobicContact CG1-SD 3.99Å; V6-M10 VanDerWaalsContact O-CB 3.28Å; V6-M10 WeakPolarHBondContact O-CB 3.37Å; V6-M10 VanDerWaalsContact O-CG 3.26Å; V6-M10 WeakPolarHBondContact O-CG 3.5Å; V6-M10 PolarHBondContact O-N 3Å
7T43.3Very low42.7Very low62 Ų6293.8 Ų93.838%0.3848%0.482SS..Hα-helixtrans-64.4-41.5175.952.80000111.7Y3 S4 T5 M10 E11Y3-T7 PolarHBondContact O-N 3.48Å; Y3-T7 PolarHBondContact O-OG1 3.4Å; S4-T7 PolarHBondContact O-OG1 2.85Å; T5-T7 VanDerWaalsContact C-N 3.35Å; T5-T7 PolarHBondContact O-N 2.9Å; T7-M10 CarbonylContact O-C 3.56Å; T7-M10 PolarHBondContact O-N 3.45Å; T7-E11 VanDerWaalsContact O-CB 3.31Å; T7-E11 WeakPolarHBondContact O-CB 3.48Å; T7-E11 WeakPolarHBondContact O-CG 3.36Å; T7-E11 PolarHBondContact O-N 3.29Å
8R42.9Very low43.2Very low186 Ų18689.3 Ų89.370%0.70246%0.459SS*.Hα-helixtrans-73.2-35.9-176.1-164177.2-165.9-178.73.8113.1S4 T5 A12S4-R8 VanDerWaalsContact O-CB 3.25Å; S4-R8 WeakPolarHBondContact O-CB 3.39Å; S4-R8 PolarHBondContact O-N 3.37Å; T5-R8 PolarHBondContact O-N 2.63Å; T5-R8 VanDerWaalsContact O-N 3.09Å; R8-A12 WeakPolarHBondContact O-CB 3.21Å; R8-A12 PolarHBondContact O-N 3.39Å; R8-A12 VanDerWaalsContact O-N 3.1Å
9E42.1Very low43.3Very low110 Ų11087.9 Ų87.951%0.51446%0.458SS..Hα-helixtrans-65.5-46.9169.9-71.7167.8162.400109.6T5 E11 A12 F13T5-E9 HydrophobicContact CG2-CG 4.44Å; T5-E9 WeakPolarHBondContact O-CB 3.32Å; T5-E9 WeakPolarHBondContact O-CG 3.31Å; T5-E9 PolarHBondContact O-N 3.37Å; E9-E11 PolarHBondContact O-N 3Å; E9-A12 PolarHBondContact O-N 2.85Å; E9-F13 WeakPolarHBondContact O-CB 3.41Å; E9-F13 PolarHBondContact O-N 3.15Å
10M48.7Very low43Very low44 Ų4487 Ų8722%0.21746%0.459CS..Hα-helixtrans-68.2-27.1176.4-70.6-175.8178.300114.7V6 T7 T14 M147 Y185 V236V6-M10 HydrophobicContact CG1-CE 3.86Å; V6-M10 HydrophobicContact CG1-CG 4.49Å; V6-M10 HydrophobicContact CG1-SD 3.99Å; V6-M10 VanDerWaalsContact O-CB 3.28Å; V6-M10 WeakPolarHBondContact O-CB 3.37Å; V6-M10 VanDerWaalsContact O-CG 3.26Å; V6-M10 WeakPolarHBondContact O-CG 3.5Å; V6-M10 PolarHBondContact O-N 3Å; T7-M10 CarbonylContact O-C 3.56Å; T7-M10 PolarHBondContact O-N 3.45Å; M10-T14 WeakPolarHBondContact O-CB 3.37Å; M10-T14 VanDerWaalsContact O-CG2 3.25Å; M10-T14 WeakPolarHBondContact O-CG2 3.04Å; M10-T14 PolarHBondContact O-N 3.14Å; M10-T14 PolarHBondContact O-OG1 2.9Å; M10-M147 HydrophobicContact CB-CE 4.37Å; M10-M147 HydrophobicContact SD-CE 3.8Å; M10-M147 HydrophobicContact SD-SD 4.38Å; M10-Y185 PolarHBondContact O-OH 3.41Å; M10-V236 HydrophobicContact CE-CG1 4.37Å
11E46.8Very low42.9Very low90 Ų9086.7 Ų86.742%0.42146%0.458SS..Hα-helixtrans-69.3-50172.2-82.8169.6169.600110.6T7 E9 F13 T14 T15 Y185T7-E11 VanDerWaalsContact O-CB 3.31Å; T7-E11 WeakPolarHBondContact O-CB 3.48Å; T7-E11 WeakPolarHBondContact O-CG 3.36Å; T7-E11 PolarHBondContact O-N 3.29Å; E9-E11 PolarHBondContact O-N 3Å; E11-F13 VanDerWaalsContact C-N 3.29Å; E11-F13 PolarHBondContact O-N 3.39Å; E11-T14 PolarHBondContact O-OG1 2.83Å; E11-T15 WeakPolarHBondContact O-CB 3.43Å; E11-T15 WeakPolarHBondContact O-CG2 3.44Å; E11-T15 PolarHBondContact O-N 2.67Å; E11-T15 PolarHBondContact O-OG1 3.12Å; E11-Y185 HydrophobicContact CG-CE2 3.73Å
12A46.5Very low43.1Very low54 Ų5478.3 Ų78.345%0.44642%0.417SS..Hα-helixtrans-62.3-39.117500000111.4R8 E9 T15 S16R8-A12 WeakPolarHBondContact O-CB 3.21Å; R8-A12 PolarHBondContact O-N 3.39Å; R8-A12 VanDerWaalsContact O-N 3.1Å; E9-A12 PolarHBondContact O-N 2.85Å; A12-T15 PolarHBondContact O-OG1 2.73Å; A12-T15 VanDerWaalsContact O-OG1 3.08Å; A12-S16 VanDerWaalsContact O-CB 3.25Å; A12-S16 WeakPolarHBondContact O-CB 3.18Å; A12-S16 PolarHBondContact O-N 2.79Å; A12-S16 PolarHBondContact O-OG 3.18Å
13F51.7Low43Very low49 Ų4974.4 Ų74.422%0.21541%0.409CS..Hα-helixtrans-65.8-55.5177.6-176.4-80.9000112E9 E11 T15 S16 S17 E243 A246E9-F13 WeakPolarHBondContact O-CB 3.41Å; E9-F13 PolarHBondContact O-N 3.15Å; E11-F13 VanDerWaalsContact C-N 3.29Å; E11-F13 PolarHBondContact O-N 3.39Å; F13-T15 VanDerWaalsContact C-N 3.34Å; F13-T15 PolarHBondContact O-N 3.12Å; F13-S16 CarbonylContact O-C 3.53Å; F13-S16 WeakPolarHBondContact O-CB 3.48Å; F13-S16 PolarHBondContact O-N 2.88Å; F13-S16 VanDerWaalsContact O-N 3.09Å; F13-S17 WeakPolarHBondContact CE1-OG 3.26Å; F13-S17 WeakPolarHBondContact CZ-OG 3.31Å; F13-S17 PolarHBondContact O-N 3.15Å; F13-S17 PolarHBondContact O-OG 2.98Å; F13-E243 HydrophobicContact CD2-CB 4.18Å; F13-E243 HydrophobicContact CD2-CG 3.9Å; F13-E243 HydrophobicContact CE2-CB 3.75Å; F13-E243 HydrophobicContact CE2-CG 4Å; F13-E243 HydrophobicContact CZ-CB 4.42Å; F13-A246 HydrophobicContact CD1-CB 4.47Å; F13-A246 HydrophobicContact CE1-CB 3.24Å; F13-A246 HydrophobicContact CE2-CB 4.43Å; F13-A246 HydrophobicContact CZ-CB 3.21Å
14T54.9Low42.9Very low13 Ų1370.5 Ų70.58%0.0841%0.409CS..Hα-helixtrans-64.9-37.3-177.253.20000112.2M10 E11 L18 L149 Y185M10-T14 WeakPolarHBondContact O-CB 3.37Å; M10-T14 VanDerWaalsContact O-CG2 3.25Å; M10-T14 WeakPolarHBondContact O-CG2 3.04Å; M10-T14 PolarHBondContact O-N 3.14Å; M10-T14 PolarHBondContact O-OG1 2.9Å; E11-T14 PolarHBondContact O-OG1 2.83Å; T14-L18 WeakPolarHBondContact O-CB 3.16Å; T14-L18 VanDerWaalsContact O-CG 3.24Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.34Å; T14-L149 HydrophobicContact CG2-CD2 4.42Å; T14-Y185 PolarHBondContact OG1-OH 3.38Å
15T51.5Low42.8Very low44 Ų4470.1 Ų70.127%0.2742%0.418SS..Hα-helixtrans-64-40.5172.451.30000111.3E11 A12 F13 S19 V183E11-T15 WeakPolarHBondContact O-CB 3.43Å; E11-T15 WeakPolarHBondContact O-CG2 3.44Å; E11-T15 PolarHBondContact O-N 2.67Å; E11-T15 PolarHBondContact O-OG1 3.12Å; A12-T15 PolarHBondContact O-OG1 2.73Å; A12-T15 VanDerWaalsContact O-OG1 3.08Å; F13-T15 VanDerWaalsContact C-N 3.34Å; F13-T15 PolarHBondContact O-N 3.12Å; T15-S19 WeakPolarHBondContact O-CB 3.38Å; T15-S19 PolarHBondContact O-N 2.88Å; T15-S19 PolarHBondContact O-OG 3.14Å; T15-V183 HydrophobicContact CG2-CG1 4.26Å; T15-V183 HydrophobicContact CG2-CG2 3.83Å
16S45.8Very low42.4Very low71 Ų7169.7 Ų69.750%0.49743%0.429SS..Hα-helixtrans-65.3-49.1175.4-60.20000112.7A12 F13 S19 S20A12-S16 VanDerWaalsContact O-CB 3.25Å; A12-S16 WeakPolarHBondContact O-CB 3.18Å; A12-S16 PolarHBondContact O-N 2.79Å; A12-S16 PolarHBondContact O-OG 3.18Å; F13-S16 CarbonylContact O-C 3.53Å; F13-S16 WeakPolarHBondContact O-CB 3.48Å; F13-S16 PolarHBondContact O-N 2.88Å; F13-S16 VanDerWaalsContact O-N 3.09Å; S16-S19 PolarHBondContact O-N 2.99Å; S16-S19 PolarHBondContact O-OG 3.48Å; S16-S19 VanDerWaalsContact O-OG 3.12Å; S16-S20 WeakPolarHBondContact O-CB 3.17Å; S16-S20 PolarHBondContact O-N 2.87Å; S16-S20 PolarHBondContact O-OG 2.98Å
17S47.3Very low42Very low26 Ų2676.4 Ų76.418%0.18245%0.447CS..Hα-helixtrans-71.5-35.9-178.9-60.50000113.6F13 S20 L21F13-S17 WeakPolarHBondContact CE1-OG 3.26Å; F13-S17 WeakPolarHBondContact CZ-OG 3.31Å; F13-S17 PolarHBondContact O-N 3.15Å; F13-S17 PolarHBondContact O-OG 2.98Å; S17-S20 PolarHBondContact O-OG 3.25Å; S17-S20 VanDerWaalsContact O-OG 3.12Å; S17-L21 WeakPolarHBondContact O-CB 3.36Å; S17-L21 WeakPolarHBondContact O-CD1 3.35Å; S17-L21 VanDerWaalsContact O-CG 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.45Å; S17-L21 PolarHBondContact O-N 3.25Å
18L52Low41.2Very low14 Ų1481.9 Ų81.97%0.07347%0.469CS..Hα-helixtrans-74.2-32.2175.2-66.5172.4000111.4T14 N22 L149 V183 Y250T14-L18 WeakPolarHBondContact O-CB 3.16Å; T14-L18 VanDerWaalsContact O-CG 3.24Å; T14-L18 WeakPolarHBondContact O-CG 3.47Å; T14-L18 PolarHBondContact O-N 3.34Å; L18-N22 WeakPolarHBondContact O-CB 3.44Å; L18-N22 PolarHBondContact O-N 2.91Å; L18-N22 PolarHBondContact O-ND2 2.9Å; L18-N22 VanDerWaalsContact O-ND2 3.08Å; L18-N22 PolarHBondContact O-OD1 2.85Å; L18-L149 HydrophobicContact CD1-CD1 3.95Å; L18-V183 HydrophobicContact CD1-CG1 4.07Å; L18-Y250 HydrophobicContact CD2-CE2 4.44Å
19S44.8Very low40.6Very low62 Ų6280.6 Ų80.643%0.43448%0.475SS..Hα-helixtrans-76.9-37.8176.663.60000113.5T15 S16 L21 N22T15-S19 WeakPolarHBondContact O-CB 3.38Å; T15-S19 PolarHBondContact O-N 2.88Å; T15-S19 PolarHBondContact O-OG 3.14Å; S16-S19 PolarHBondContact O-N 2.99Å; S16-S19 PolarHBondContact O-OG 3.48Å; S16-S19 VanDerWaalsContact O-OG 3.12Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 3.31Å; S19-N22 PolarHBondContact O-N 2.93Å; S19-N22 VanDerWaalsContact O-N 3.07Å
20S37Very low39.9Very low70 Ų7080.2 Ų80.249%0.4948%0.484SS..Hα-helixtrans-60.7-42.5174.263.90000111.5S16 S17 N22 S23S16-S20 WeakPolarHBondContact O-CB 3.17Å; S16-S20 PolarHBondContact O-N 2.87Å; S16-S20 PolarHBondContact O-OG 2.98Å; S17-S20 PolarHBondContact O-OG 3.25Å; S17-S20 VanDerWaalsContact O-OG 3.12Å; S20-N22 VanDerWaalsContact C-N 3.27Å; S20-N22 PolarHBondContact O-N 2.69Å; S20-S23 PolarHBondContact O-N 2.91Å
21L40.9Very low38.9Very low81 Ų8187 Ų8742%0.42452%0.515SS..THydrogen-bonded Turntrans-70.8-15174.5-67.5173.2000114.5S17 S19 Y250S17-L21 WeakPolarHBondContact O-CB 3.36Å; S17-L21 WeakPolarHBondContact O-CD1 3.35Å; S17-L21 VanDerWaalsContact O-CG 3.23Å; S17-L21 WeakPolarHBondContact O-CG 3.45Å; S17-L21 PolarHBondContact O-N 3.25Å; S19-L21 VanDerWaalsContact C-N 3.32Å; S19-L21 PolarHBondContact O-N 3.31Å; L21-Y250 HydrophobicContact CD1-CE1 4.2Å; L21-Y250 VanDerWaalsContact CD1-OH 3.3Å; L21-Y250 WeakPolarHBondContact CD1-OH 3.42Å
22N36.6Very low38Very low58 Ų5888.4 Ų88.431%0.3154%0.535SS..THydrogen-bonded Turntrans-89-1.9176.7-72.7-14.9000113.3L18 S19 S20 P24 L153 R230L18-N22 WeakPolarHBondContact O-CB 3.44Å; L18-N22 PolarHBondContact O-N 2.91Å; L18-N22 PolarHBondContact O-ND2 2.9Å; L18-N22 VanDerWaalsContact O-ND2 3.08Å; L18-N22 PolarHBondContact O-OD1 2.85Å; S19-N22 PolarHBondContact O-N 2.93Å; S19-N22 VanDerWaalsContact O-N 3.07Å; S20-N22 VanDerWaalsContact C-N 3.27Å; S20-N22 PolarHBondContact O-N 2.69Å; N22-P24 WeakPolarHBondContact O-CD 3.46Å; N22-L153 HydrophobicContact CB-CD2 4.44Å; N22-L153 VanDerWaalsContact ND2-CD2 3.32Å; N22-L153 WeakPolarHBondContact ND2-CD2 3Å; N22-R230 PolarHBondContact ND2-NH2 3.33Å; N22-R230 VanDerWaalsContact OD1-CZ 3.27Å; N22-R230 PolarHBondContact OD1-NH1 2.88Å; N22-R230 PolarHBondContact OD1-NH2 3.43Å
23S26.8Very low37.6Very low86 Ų8691.9 Ų91.960%0.60155%0.553SS**  trans-77.6120.1-178.3-63.70000111.7S20S20-S23 PolarHBondContact O-N 2.91Å
24P32.5Very low36.5Very low121 Ų12192.9 Ų92.979%0.78658%0.578SS**  trans-62.3143.5164.1-15.330.7000109.1N22 G26N22-P24 WeakPolarHBondContact O-CD 3.46Å; P24-G26 VanDerWaalsContact C-N 3.35Å; P24-G26 PolarHBondContact O-N 2.92Å
25G34.6Very low35.3Very low76 Ų76100.1 Ų100.178%0.78462%0.616SS**  trans-6780.7-171.700000114.9
26G26.7Very low34.8Very low70 Ų70102.7 Ų102.772%0.72263%0.633SS**  trans-87.5106.1167.800000110.8P24 H28P24-G26 VanDerWaalsContact C-N 3.35Å; P24-G26 PolarHBondContact O-N 2.92Å; G26-H28 PolarHBondContact O-N 3Å; G26-H28 VanDerWaalsContact O-N 3.11Å
27Y28.4Very low34Very low217 Ų217109.6 Ų109.685%0.85165%0.65SS**  trans-69.8104.9180-70.5-87.8000111.6L29Y27-L29 VanDerWaalsContact C-N 3.35Å; Y27-L29 PolarHBondContact O-N 3.04Å
28H26.2Very low33.3Very low178 Ų178114.3 Ų114.382%0.82468%0.683SS**  trans-79.280.1173.7-174.4-73.4000111G26 S30G26-H28 PolarHBondContact O-N 3Å; G26-H28 VanDerWaalsContact O-N 3.11Å; H28-S30 PolarHBondContact O-N 2.86Å
29L30.1Very low32.3Very low159 Ų159122.8 Ų122.883%0.83272%0.722SS**  trans-75.4115.4168.1-78.1167.8000109.9Y27Y27-L29 VanDerWaalsContact C-N 3.35Å; Y27-L29 PolarHBondContact O-N 3.04Å
30S28.6Very low31.7Very low102 Ų102128.8 Ų128.871%0.71374%0.743SS**  trans-69.9128.817652.90000111.6H28H28-S30 PolarHBondContact O-N 2.86Å
31Q26.3Very low31.3Very low186 Ų186132.8 Ų132.887%0.86975%0.754SS**  trans-86.7142.9171.2-68.2-176.6-9.600111.6
32S27.9Very low30.9Very low119 Ų119134.4 Ų134.483%0.83277%0.772SS**  trans-159.7155.2166.4-85.70000108.6
33P38.3Very low30.4Very low127 Ų127139.4 Ų139.483%0.82579%0.793SS**  -126.4158.4-12237.3-24.8000117.3
34G29.5Very low30.6Very low71 Ų71144.9 Ų144.973%0.73281%0.806SS**  trans75.2132.9166.100000114.3
35D30.2Very low30.7Very low164 Ų164147.8 Ų147.888%0.87781%0.809SS**  cis-159.8-178.641-111.5-6000112.4
36P41.1Very low30.9Very low98 Ų98149.7 Ų149.764%0.63681%0.808SS**  trans-102.9-177.9-153.339.2-38000117.8
37Y29.1Very low31Very low217 Ų217152.5 Ų152.585%0.85182%0.815SS**  trans77.4105174.8-69.5-82.1000118.6
38S31.3Very low31.8Very low125 Ų125148.2 Ų148.287%0.87481%0.814SS**  -163.4142.2109.8-79.60000111.1
39Q31.4Very low32Very low192 Ų192144.7 Ų144.790%0.89782%0.815SS**  trans-87.8136.9167.2-67.1172.5-58.500109.2
40H32.8Very low32.2Very low188 Ų188142 Ų14287%0.8782%0.816SS**  trans-155.3138.4147.5-139.7-79000111.6
41E28.6Very low32.2Very low154 Ų154145.9 Ų145.972%0.7282%0.823SS**  trans-78.5151.7168.9-69.9173.567.400111.4
42S31Very low32.6Very low114 Ų114146 Ų14680%0.79782%0.823SS**  trans-150.196.2150.9460000110.6
43H28Very low32.6Very low164 Ų164147.3 Ų147.376%0.75982%0.821SS**  trans-58.8143.6163-95.7-107.1000110.5
44F31.1Very low32.1Very low201 Ų201151.3 Ų151.388%0.88282%0.821SS**  trans-146.3129.2159.5-112-82.1000111.1
45E33.3Very low32Very low182 Ų182155.7 Ų155.785%0.8583%0.828SS**  trans-85.1157.4172.8-89.5-173.397.600112.2
46P38.4Very low32.1Very low116 Ų116157.8 Ų157.875%0.75383%0.825SS**  trans-82.2152.4175.634.7-34.7000112.3
47C28.8Very low32.3Very low128 Ų128159 Ų15987%0.86583%0.832SS**  trans-130.3154.9166.8-920000111.4
48P45.2Very low32.3Very low127 Ų127152.3 Ų152.383%0.82583%0.829SS**  trans-96.2173.8-150.937.2-37.7000115.6
49A30.8Very low32.3Very low104 Ų104151.6 Ų151.686%0.8682%0.824SS**  trans-73.5155.4-178.800000114.2
50A33.6Very low32.6Very low103 Ų103149.4 Ų149.485%0.85182%0.819SS**  trans-124.7144.1165.700000110.2
51Q30.4Very low33.4Very low183 Ų183146 Ų14686%0.85581%0.814SS**  trans-98.7138.1178.7-57.2166.3-58.800110.3
52H33.1Very low33.4Very low189 Ų189142.3 Ų142.388%0.87582%0.817SS**  trans-166.2113.8143.6-86.7-55.5000106.8
53N27.8Very low33.5Very low146 Ų146146.3 Ų146.378%0.78182%0.823SS**  95129.366.4-167.954.5000111.7
54Y28.4Very low33.6Very low211 Ų211143.8 Ų143.883%0.82782%0.824SS**  trans-76.5155.9-171-76.5-98.2000113.1
55N28.6Very low33.6Very low163 Ų163143.8 Ų143.887%0.87283%0.827SS**  trans-148.3140153.6-1469.1000112
56Y32.4Very low33.5Very low209 Ų209139 Ų13982%0.8283%0.827SS**PPolyproline II helixtrans-103.8142.4177.4-98-97.2000110.2
57P43.9Very low33.4Very low122 Ų122143.1 Ų143.179%0.79284%0.836SS**PPolyproline II helixtrans-89137.8160.733.6-29.8000111.2
58G29.6Very low33.6Very low77 Ų77140.8 Ų140.879%0.79483%0.826SS**PPolyproline II helixtrans-97.6172.4174.500000113.9
59S31.4Very low33Very low110 Ų110140 Ų14077%0.76982%0.823SS**  trans-79.2178.2170.758.50000111.2
60N36.8Very low33.1Very low146 Ų146143.3 Ų143.378%0.78183%0.826SS**  cis-152.1-15722.9-1411.9000110.8
61P49.3Very low33Very low117 Ų117142 Ų14276%0.7682%0.823SS**  trans-119.6177.6-143.235.8-14.1000116.3
62G29.7Very low32.9Very low77 Ų77137.3 Ų137.379%0.79482%0.823SS**  trans-144.9150.1169.900000112
63Q32.3Very low33.1Very low198 Ų198135 Ų13593%0.92582%0.823SS**  trans-111.8145.8-174.2-59.9171.4-17.200111.6
64S31.1Very low34.1Very low111 Ų111133.3 Ų133.378%0.77682%0.82SS**  170.8124.4116.758.30000114.9
65Q31.7Very low34.3Very low201 Ų201130.8 Ų130.894%0.93982%0.821SS**  trans23.3135141.8-59.7174.4-11.600122.2
66G30.8Very low34.3Very low82 Ų82127.8 Ų127.885%0.84581%0.812SS**  trans-178.8122.2161.700000115
67Q35Very low34.2Very low202 Ų202123.5 Ų123.594%0.94481%0.812SS**  trans-88.8169.5176.9-72164.8-27.900111.8
68A33.3Very low33.6Very low79 Ų79123.7 Ų123.765%0.65382%0.816SS**  cis-175.1167.4-26.700000110.6
69S33.5Very low33.8Very low111 Ų111125.8 Ų125.878%0.77682%0.819SS**  trans67.8145.815546.20000122.8
70D31.7Very low33.9Very low172 Ų172126 Ų12692%0.9282%0.82SS**  trans55.3147.5167.5-746.6000120.9
71G31.8Very low33.9Very low76 Ų76124.9 Ų124.978%0.78482%0.824SS**  cis160.4119.7-8.600000113.1
72G29.5Very low33.1Very low84 Ų84124.6 Ų124.687%0.86683%0.825SS**  trans152.2115.6172.100000117.2
73T36.7Very low33.4Very low141 Ų141126.6 Ų126.687%0.86583%0.826SS**  trans-91.8167.1156.240.60000109.6
74P49Very low33.5Very low110 Ų110123.3 Ų123.371%0.71482%0.82SS**  cis-147.9172.730.243.4-23.9000119.2
75N33Very low34.2Very low159 Ų159123.7 Ų123.785%0.8582%0.82SS**  trans58.7151.1152.9-86.6-2.5000120
76C26.9Very low34.8Very low100 Ų100121.8 Ų121.868%0.67682%0.816SS**  cis-158.5166.3-7.548.70000111.9
77S32Very low35.1Very low119 Ų119123.3 Ų123.383%0.83281%0.814SS**  trans49.5101149-57.80000121
78S30.9Very low35.5Very low126 Ų126123.1 Ų123.188%0.88181%0.81SS**  trans-148.3141141.561.70000111.3
79S34.1Very low36.1Very low121 Ų121124.3 Ų124.385%0.84681%0.813SS**  trans-89.5139.7-177.346.70000112.8
80S32.9Very low37.2Very low113 Ų113126.9 Ų126.979%0.7982%0.817SS**  trans-146.3112.7160.560.60000110.9
81S35.8Very low38.5Very low124 Ų124121.7 Ų121.787%0.86779%0.791SS**  trans-79.2123176.1520000111.4
82S33.7Very low40.4Very low111 Ų111126.3 Ų126.378%0.77679%0.79SS**  trans-124.910116644.50000109.5
83S35.1Very low42.6Very low118 Ų118126 Ų12683%0.82576%0.764SS**  trans-91102.4-174.852.40000111.7
84T35Very low44.6Very low130 Ų130120.5 Ų120.580%0.79873%0.73SS**  trans-108.5117.2167.452.20000110.1
85P46.5Very low46.2Very low118 Ų118120 Ų12077%0.76673%0.727SS**  trans-79.9157.8-176.931.8-34.9000113.4
86N42.7Very low48.5Very low161 Ų161116.3 Ų116.386%0.86170%0.703SS**  trans60.761.2170.1-75.8-3.9000117.8
87S38.3Very low51.4Low114 Ų114111.5 Ų111.580%0.79767%0.671SS**PPolyproline II helixtrans-82128.213159.40000108.5S89S87-S89 PolarHBondContact O-N 3.18Å
88K43.8Very low54Low199 Ų199107.7 Ų107.787%0.86565%0.646SS**PPolyproline II helixtrans-68.9123.3165.9-71-176.6178.2-177.80107I90K88-I90 PolarHBondContact O-N 3.3Å
89S46Very low56.8Low104 Ų104107.8 Ų107.873%0.72764%0.637SS**PPolyproline II helixtrans-58.1124.8174.139.80000109.4S87 V91S87-S89 PolarHBondContact O-N 3.18Å; S89-V91 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 2.91Å
90I55.8Low59.7Low164 Ų164102 Ų10284%0.84160%0.596SS**  trans-73.793.9174.4-59.4177.1000106.9K88 K92K88-I90 PolarHBondContact O-N 3.3Å; I90-K92 PolarHBondContact O-N 2.67Å; I90-K92 VanDerWaalsContact O-N 3.11Å
91V58.8Low62.7Low64 Ų6499.9 Ų99.939%0.38858%0.582SS.*  trans-53.2116.1175174.60000108.5S89 K93 E248S89-V91 VanDerWaalsContact C-N 3.33Å; S89-V91 PolarHBondContact O-N 2.91Å; V91-K93 PolarHBondContact O-N 2.76Å; V91-E248 HydrophobicContact CG1-CG 3.59Å
92K71.8Confident65.7Low173 Ų17395 Ų9575%0.75255%0.546SS*.  trans-81.387.4-167.4-174.3-179.4177.5179.70109.4I90 N94I90-K92 PolarHBondContact O-N 2.67Å; I90-K92 VanDerWaalsContact O-N 3.11Å; K92-N94 PolarHBondContact O-N 3.49Å
93K76.3Confident68.7Low76 Ų7694.3 Ų94.333%0.3353%0.531SS..  trans-45.6139.4-179.7-70.9-166.8172.5-73.70112.7V91 V97 E247 Y250V91-K93 PolarHBondContact O-N 2.76Å; K93-V97 HydrophobicContact CB-CG2 4.46Å; K93-E247 PolarHBondContact NZ-O 2.76Å; K93-E247 VanDerWaalsContact NZ-O 3.11Å; K93-Y250 PolarHBondContact NZ-O 2.86Å
94N78.4Confident71.8Confident26 Ų2689.2 Ų89.214%0.13949%0.494CS..  trans-54.5130.7-176.7179.9-26.6000109.5K92 K96 V97 A98 Y235 E248 N249K92-N94 PolarHBondContact O-N 3.49Å; N94-K96 PolarHBondContact O-N 3.47Å; N94-K96 WeakPolarHBondContact OD1-CB 3.36Å; N94-K96 WeakPolarHBondContact OD1-CG 3.24Å; N94-K96 PolarHBondContact OD1-N 3.32Å; N94-V97 HydrophobicContact CB-CG2 4.33Å; N94-V97 WeakPolarHBondContact O-CG2 3.42Å; N94-V97 PolarHBondContact O-N 2.97Å; N94-A98 PolarHBondContact O-N 2.85Å; N94-Y235 WeakPolarHBondContact ND2-CD1 3.37Å; N94-E248 HydrophobicContact CB-CB 4.36Å; N94-E248 WeakPolarHBondContact CB-O 3.29Å; N94-E248 PolarHBondContact N-O 3.19Å; N94-N249 PolarHBondContact ND2-OD1 2.67Å
95P82Confident74.8Confident100 Ų10084.9 Ų84.965%0.64947%0.465SS*.Hα-helixtrans-50.3-28.4177.4-30.136.3000114.5V97P95-V97 VanDerWaalsContact C-N 3.25Å; P95-V97 PolarHBondContact O-N 2.92Å
96K82.7Confident77.1Confident81 Ų8182.9 Ų82.935%0.35245%0.447SS..Hα-helixtrans-66.8-18.1175.9-59.8-65-177179.30114.3N94 I100 D141 Y146 Y235N94-K96 PolarHBondContact O-N 3.47Å; N94-K96 WeakPolarHBondContact OD1-CB 3.36Å; N94-K96 WeakPolarHBondContact OD1-CG 3.24Å; N94-K96 PolarHBondContact OD1-N 3.32Å; K96-I100 WeakPolarHBondContact O-CD1 3.37Å; K96-D141 HydrophobicContact CD-CB 4.05Å; K96-D141 WeakPolarHBondContact CE-OD2 3.46Å; K96-D141 IonicContact NZ-OD2 2.63Å; K96-D141 PolarHBondContact NZ-OD2 2.88Å; K96-Y146 WeakPolarHBondContact O-CE1 3.49Å; K96-Y146 PolarHBondContact O-OH 3.25Å; K96-Y235 HydrophobicContact CB-CD1 4.38Å; K96-Y235 HydrophobicContact CB-CD2 3.95Å; K96-Y235 HydrophobicContact CB-CE2 4.29Å; K96-Y235 HydrophobicContact CB-CG 4Å; K96-Y235 HydrophobicContact CG-CD2 4.28Å; K96-Y235 HydrophobicContact CG-CE1 4.47Å; K96-Y235 HydrophobicContact CG-CE2 4.1Å
97V86.6Confident79.7Confident0 Ų079.6 Ų79.60%043%0.425CS..Hα-helixtrans-116.7-23173.1-62.10000114K93 N94 P95 N99 I100 Y146 E248 N249 K251K93-V97 HydrophobicContact CB-CG2 4.46Å; N94-V97 HydrophobicContact CB-CG2 4.33Å; N94-V97 WeakPolarHBondContact O-CG2 3.42Å; N94-V97 PolarHBondContact O-N 2.97Å; P95-V97 VanDerWaalsContact C-N 3.25Å; P95-V97 PolarHBondContact O-N 2.92Å; V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.34Å; V97-I100 HydrophobicContact CB-CD1 4.3Å; V97-I100 HydrophobicContact CG1-CD1 4.22Å; V97-I100 PolarHBondContact O-N 3.31Å; V97-Y146 HydrophobicContact CG1-CE1 4.15Å; V97-E248 WeakPolarHBondContact CG2-O 3.47Å; V97-N249 WeakPolarHBondContact CG1-O 3.35Å; V97-K251 HydrophobicContact CB-CB 4.15Å; V97-K251 HydrophobicContact CG2-CB 4.48Å; V97-K251 WeakPolarHBondContact O-CD 3.36Å
98A86Confident82.5Confident38 Ų3877.4 Ų77.431%0.31441%0.413SS..Hα-helixtrans-52-47.4-176.400000112.9N94 I100 K251N94-A98 PolarHBondContact O-N 2.85Å; A98-I100 PolarHBondContact O-N 2.77Å; A98-K251 PolarHBondContact O-NZ 2.8Å
99N89.6Confident85.1Confident128 Ų12869.4 Ų69.468%0.68438%0.38SS*.THydrogen-bonded Turntrans-87.21.8-174.1-64.2-10.7000114.6V97 S101V97-N99 VanDerWaalsContact C-N 3.31Å; V97-N99 PolarHBondContact O-N 3.34Å; N99-S101 PolarHBondContact O-N 3.02Å
100I95.6Very high87.6Confident0 Ų064.4 Ų64.40%035%0.345CS..  trans-71.6130.9-179.3-61-179.5000110.1K96 V97 A98 V102 I137 F138 M140 Y146 V233 K251 F253K96-I100 WeakPolarHBondContact O-CD1 3.37Å; V97-I100 HydrophobicContact CB-CD1 4.3Å; V97-I100 HydrophobicContact CG1-CD1 4.22Å; V97-I100 PolarHBondContact O-N 3.31Å; A98-I100 PolarHBondContact O-N 2.77Å; I100-V102 HydrophobicContact CG2-CG2 4.34Å; I100-I137 HydrophobicContact CG2-CG2 3.73Å; I100-F138 WeakPolarHBondContact CA-O 3.47Å; I100-M140 HydrophobicContact CD1-CB 4.38Å; I100-M140 HydrophobicContact CD1-CE 4.27Å; I100-M140 HydrophobicContact CD1-CG 3.99Å; I100-M140 HydrophobicContact CG1-CG 4.15Å; I100-M140 HydrophobicContact CG2-CG 4.23Å; I100-Y146 HydrophobicContact CD1-CD1 4.33Å; I100-Y146 HydrophobicContact CD1-CE1 3.65Å; I100-V233 HydrophobicContact CD1-CG1 3.69Å; I100-V233 HydrophobicContact CG2-CG2 4.42Å; I100-K251 WeakPolarHBondContact O-CE 3.32Å; I100-K251 PolarHBondContact O-NZ 3.02Å; I100-F253 HydrophobicContact CB-CZ 4.31Å; I100-F253 HydrophobicContact CG2-CE2 4.44Å; I100-F253 HydrophobicContact CG2-CZ 3.95Å; I100-F253 WeakPolarHBondContact O-CZ 3.5Å
101S96.4Very high89.6Confident69 Ų6959.3 Ų59.348%0.48332%0.319SS..EExtended strand (participates in β ladder)trans-119.3145.8174.7-71.50000110.2N99 F138N99-S101 PolarHBondContact O-N 3.02Å; S101-F138 PolarHBondContact N-O 3.06Å; S101-F138 PolarHBondContact O-N 3.19Å
102V98.1Very high91.5Very high21 Ų2160.8 Ų60.813%0.12732%0.322CS..EExtended strand (participates in β ladder)trans-134.3130.1-175.4-176.60000109I100 V135 K136 I137 F231 F253 F255I100-V102 HydrophobicContact CG2-CG2 4.34Å; V102-V135 HydrophobicContact CG1-CB 3.61Å; V102-V135 HydrophobicContact CG1-CG1 3.77Å; V102-V135 HydrophobicContact CG1-CG2 4.14Å; V102-K136 WeakPolarHBondContact CA-O 3.43Å; V102-I137 HydrophobicContact CG2-CG1 4.46Å; V102-I137 HydrophobicContact CG2-CG2 4.22Å; V102-F231 HydrophobicContact CG1-CD1 3.96Å; V102-F231 HydrophobicContact CG1-CE1 3.91Å; V102-F231 HydrophobicContact CG2-CD1 4.21Å; V102-F231 HydrophobicContact CG2-CE1 3.82Å; V102-F253 HydrophobicContact CB-CD1 3.74Å; V102-F253 HydrophobicContact CB-CD2 4.41Å; V102-F253 HydrophobicContact CB-CE1 3.97Å; V102-F253 HydrophobicContact CB-CG 3.97Å; V102-F253 HydrophobicContact CB-CZ 4.4Å; V102-F253 HydrophobicContact CG2-CD1 3.69Å; V102-F253 HydrophobicContact CG2-CD2 3.7Å; V102-F253 HydrophobicContact CG2-CE1 3.55Å; V102-F253 HydrophobicContact CG2-CE2 3.57Å; V102-F253 HydrophobicContact CG2-CG 3.76Å; V102-F253 HydrophobicContact CG2-CZ 3.49Å; V102-F253 VanDerWaalsContact CG2-CZ 3.49Å; V102-F255 HydrophobicContact CB-CZ 4.31Å; V102-F255 HydrophobicContact CG1-CE2 4.18Å; V102-F255 HydrophobicContact CG1-CZ 3.96Å
103Q98.3Very high92.8Very high97 Ų9752.5 Ų52.545%0.45329%0.286SS..EExtended strand (participates in β ladder)trans-108.7131.1176.2177.6178.3-700109.3V135 K136 F138Q103-V135 CarbonylContact O-C 3.54Å; Q103-V135 VanDerWaalsContact O-CA 3.24Å; Q103-V135 WeakPolarHBondContact O-CA 3.32Å; Q103-K136 HydrophobicContact CB-CB 4.5Å; Q103-K136 PolarHBondContact N-O 2.93Å; Q103-K136 PolarHBondContact O-N 2.87Å; Q103-F138 HydrophobicContact CB-CE2 3.98Å
104L98.4Very high93.8Very high10 Ų1051.5 Ų51.55%0.05228%0.284CS..EExtended strand (participates in β ladder)trans-74.7127171.2-17868.5000109.8K107 W110 F133 V135 F255 E257 T258L104-K107 HydrophobicContact CD2-CG 4.24Å; L104-W110 HydrophobicContact CD2-CB 4.3Å; L104-W110 HydrophobicContact CD2-CG 4.09Å; L104-F133 HydrophobicContact CD1-CD2 4.37Å; L104-F133 HydrophobicContact CD1-CE2 4.16Å; L104-V135 HydrophobicContact CD1-CG1 4.45Å; L104-F255 HydrophobicContact CB-CD1 3.84Å; L104-F255 HydrophobicContact CB-CD2 4.42Å; L104-F255 HydrophobicContact CB-CE1 3.88Å; L104-F255 HydrophobicContact CB-CE2 4.45Å; L104-F255 HydrophobicContact CB-CG 4.13Å; L104-F255 HydrophobicContact CB-CZ 4.19Å; L104-F255 HydrophobicContact CD1-CD2 4.38Å; L104-F255 HydrophobicContact CD2-CB 4.15Å; L104-F255 HydrophobicContact CD2-CD1 4.44Å; L104-F255 HydrophobicContact CD2-CG 4.27Å; L104-E257 HydrophobicContact CD2-CG 3.61Å; L104-T258 HydrophobicContact CD1-CG2 3.99Å; L104-T258 HydrophobicContact CD2-CG2 3.68Å
105E98.1Very high94.7Very high39 Ų3958.6 Ų58.618%0.18232%0.316CS..THydrogen-bonded Turntrans-87153.5175.3-68.9-70178.100111.1K107 Q134 K136 I200E105-K107 PolarHBondContact O-N 2.78Å; E105-Q134 HydrophobicContact CB-CB 3.94Å; E105-Q134 PolarHBondContact N-O 3.04Å; E105-K136 HydrophobicContact CG-CB 4.34Å; E105-K136 WeakPolarHBondContact OE1-CB 3.44Å; E105-K136 WeakPolarHBondContact OE1-CD 3.34Å; E105-I200 HydrophobicContact CG-CD1 3.86Å; E105-I200 HydrophobicContact CG-CG1 3.97Å; E105-I200 HydrophobicContact CG-CG2 3.96Å
106M95.8Very high95.4Very high77 Ų7755.3 Ų55.338%0.37929%0.293SS..THydrogen-bonded Turntrans55.429-171.9-56.5174.2-71.100114.1A108 L109 W110 Q134M106-A108 VanDerWaalsContact C-N 3.29Å; M106-A108 PolarHBondContact O-N 2.89Å; M106-A108 VanDerWaalsContact O-N 3.14Å; M106-L109 WeakPolarHBondContact O-CB 3.33Å; M106-L109 PolarHBondContact O-N 3.05Å; M106-W110 PolarHBondContact O-N 2.85Å; M106-Q134 HydrophobicContact CE-CB 4.26Å; M106-Q134 HydrophobicContact CE-CG 4.02Å; M106-Q134 VanDerWaalsContact CE-OE1 3.27Å
107K97Very high96.1Very high92 Ų9252.6 Ų52.640%0.429%0.288SS..Hα-helixtrans-48.5-44-174.1-163.4-137.2-178.5-53.30114.1L104 E105 L109 W110 D111 E257L104-K107 HydrophobicContact CD2-CG 4.24Å; E105-K107 PolarHBondContact O-N 2.78Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.28Å; K107-W110 CarbonylContact O-C 3.6Å; K107-W110 WeakPolarHBondContact O-CA 3.45Å; K107-W110 WeakPolarHBondContact O-CB 3.24Å; K107-W110 PolarHBondContact O-N 3.11Å; K107-D111 WeakPolarHBondContact CD-OD2 3.44Å; K107-D111 IonicContact NZ-OD1 2.78Å; K107-D111 PolarHBondContact NZ-OD1 3.31Å; K107-D111 IonicContact NZ-OD2 3.78Å; K107-D111 PolarHBondContact NZ-OD2 2.95Å; K107-D111 PolarHBondContact O-N 3Å; K107-E257 WeakPolarHBondContact CE-OE1 3.34Å; K107-E257 WeakPolarHBondContact CG-OE1 3.35Å; K107-E257 IonicContact NZ-OE1 3.3Å; K107-E257 PolarHBondContact NZ-OE1 3.42Å
108A97.9Very high96.7Very high67 Ų6752.7 Ų52.755%0.55429%0.289SS*.Hα-helixtrans-57.8-40178.700000113.4M106 W110 D111 E112M106-A108 VanDerWaalsContact C-N 3.29Å; M106-A108 PolarHBondContact O-N 2.89Å; M106-A108 VanDerWaalsContact O-N 3.14Å; A108-W110 VanDerWaalsContact C-N 3.34Å; A108-D111 PolarHBondContact O-N 3.18Å; A108-E112 WeakPolarHBondContact O-CG 3.37Å; A108-E112 PolarHBondContact O-N 3.18Å
109L97.9Very high97.3Very high31 Ų3150.9 Ų50.916%0.16227%0.274CS..Hα-helixtrans-69.5-33.1176.3-177.864.2000111.6M106 K107 F113 F130 P131 L274M106-L109 WeakPolarHBondContact O-CB 3.33Å; M106-L109 PolarHBondContact O-N 3.05Å; K107-L109 VanDerWaalsContact C-N 3.32Å; K107-L109 PolarHBondContact O-N 3.28Å; L109-F113 HydrophobicContact CD1-CD2 4.14Å; L109-F113 HydrophobicContact CD1-CE2 3.78Å; L109-F113 HydrophobicContact CD2-CE2 4.48Å; L109-F113 HydrophobicContact CG-CD2 4.1Å; L109-F113 HydrophobicContact CG-CE2 3.97Å; L109-F113 VanDerWaalsContact O-CD2 3.22Å; L109-F113 WeakPolarHBondContact O-CD2 3.34Å; L109-F113 PolarHBondContact O-N 2.9Å; L109-F113 VanDerWaalsContact O-N 3.14Å; L109-F130 HydrophobicContact CD2-CZ 4.3Å; L109-P131 HydrophobicContact CD2-CB 4.25Å; L109-P131 HydrophobicContact CD2-CG 3.92Å; L109-P131 HydrophobicContact CG-CG 3.91Å; L109-L274 HydrophobicContact CD1-CD1 4.48Å
110W98.5Very high97.7Very high0 Ų045 Ų450%024%0.242CC..Hα-helixtrans-65.6-41.9170.3-78.1104.9000111.8L104 M106 K107 A108 F113 N114 T118 M120 P131 E257 T258L104-W110 HydrophobicContact CD2-CB 4.3Å; L104-W110 HydrophobicContact CD2-CG 4.09Å; M106-W110 PolarHBondContact O-N 2.85Å; K107-W110 CarbonylContact O-C 3.6Å; K107-W110 WeakPolarHBondContact O-CA 3.45Å; K107-W110 WeakPolarHBondContact O-CB 3.24Å; K107-W110 PolarHBondContact O-N 3.11Å; A108-W110 VanDerWaalsContact C-N 3.34Å; W110-F113 PolarHBondContact O-N 3.06Å; W110-N114 VanDerWaalsContact O-CB 3.24Å; W110-N114 WeakPolarHBondContact O-CB 3.47Å; W110-N114 PolarHBondContact O-N 3.23Å; W110-T118 HydrophobicContact CZ3-CG2 4.49Å; W110-M120 HydrophobicContact CH2-CE 3.61Å; W110-M120 HydrophobicContact CZ3-CE 3.75Å; W110-P131 HydrophobicContact CD2-CB 4.27Å; W110-P131 HydrophobicContact CD2-CG 4.12Å; W110-P131 HydrophobicContact CE3-CG 4.45Å; W110-P131 HydrophobicContact CG-CG 4.49Å; W110-P131 HydrophobicContact CZ2-CB 3.92Å; W110-P131 HydrophobicContact CZ2-CG 4.44Å; W110-P131 WeakPolarHBondContact CZ2-O 3.31Å; W110-E257 HydrophobicContact CB-CB 4.35Å; W110-E257 HydrophobicContact CB-CG 3.88Å; W110-T258 HydrophobicContact CD2-CG2 3.69Å; W110-T258 HydrophobicContact CE3-CG2 3.79Å; W110-T258 HydrophobicContact CG-CG2 4.18Å; W110-T258 HydrophobicContact CH2-CG2 4.25Å; W110-T258 HydrophobicContact CZ2-CG2 4.18Å; W110-T258 HydrophobicContact CZ3-CG2 4.06Å
111D98.4Very high97.9Very high57 Ų5745.5 Ų45.531%0.30525%0.245SC..Hα-helixtrans-62.5-41.9176.4-66.9-46.1000112K107 A108 N114 Q115 E257K107-D111 WeakPolarHBondContact CD-OD2 3.44Å; K107-D111 IonicContact NZ-OD1 2.78Å; K107-D111 PolarHBondContact NZ-OD1 3.31Å; K107-D111 IonicContact NZ-OD2 3.78Å; K107-D111 PolarHBondContact NZ-OD2 2.95Å; K107-D111 PolarHBondContact O-N 3Å; A108-D111 PolarHBondContact O-N 3.18Å; D111-N114 PolarHBondContact O-N 2.99Å; D111-Q115 WeakPolarHBondContact O-CB 3.33Å; D111-Q115 PolarHBondContact O-N 2.81Å; D111-E257 WeakPolarHBondContact OD1-CB 3.41Å
112E98.3Very high98Very high94 Ų9442.3 Ų42.344%0.43922%0.223SC..Hα-helixtrans-59.6-47.4173.3-73.7171.5-155.200112.4A108 L116 L274A108-E112 WeakPolarHBondContact O-CG 3.37Å; A108-E112 PolarHBondContact O-N 3.18Å; E112-L116 PolarHBondContact O-N 3.37Å; E112-L274 HydrophobicContact CB-CD2 3.93Å
113F98.3Very high98Very high0 Ų042.8 Ų42.80%023%0.225CC..Hα-helixtrans-64.7-40175.7-85.1-64.6000112.1L109 W110 L116 G117 T118 F130 P131 I271 L274 K275L109-F113 HydrophobicContact CD1-CD2 4.14Å; L109-F113 HydrophobicContact CD1-CE2 3.78Å; L109-F113 HydrophobicContact CD2-CE2 4.48Å; L109-F113 HydrophobicContact CG-CD2 4.1Å; L109-F113 HydrophobicContact CG-CE2 3.97Å; L109-F113 VanDerWaalsContact O-CD2 3.22Å; L109-F113 WeakPolarHBondContact O-CD2 3.34Å; L109-F113 PolarHBondContact O-N 2.9Å; L109-F113 VanDerWaalsContact O-N 3.14Å; W110-F113 PolarHBondContact O-N 3.06Å; F113-L116 CarbonylContact O-C 3.55Å; F113-L116 PolarHBondContact O-N 3.08Å; F113-G117 CarbonylContact O-C 3.56Å; F113-G117 PolarHBondContact O-N 3.03Å; F113-G117 VanDerWaalsContact O-N 3.11Å; F113-T118 HydrophobicContact CB-CG2 4.13Å; F113-T118 PolarHBondContact O-N 3.47Å; F113-T118 PolarHBondContact O-OG1 2.84Å; F113-F130 HydrophobicContact CE2-CD1 4.22Å; F113-F130 AromaticContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CZ-CD1 4.21Å; F113-F130 HydrophobicContact CZ-CE1 4.06Å; F113-P131 HydrophobicContact CD2-CG 3.51Å; F113-P131 HydrophobicContact CE2-CG 3.69Å; F113-I271 HydrophobicContact CD1-CD1 3.89Å; F113-I271 HydrophobicContact CD1-CG2 4.34Å; F113-I271 HydrophobicContact CE1-CG2 4.2Å; F113-L274 HydrophobicContact CD1-CD2 3.73Å; F113-L274 HydrophobicContact CD1-CG 4.29Å; F113-L274 HydrophobicContact CD2-CD2 4.13Å; F113-L274 HydrophobicContact CE1-CB 3.81Å; F113-L274 HydrophobicContact CE1-CD2 3.68Å; F113-L274 HydrophobicContact CE1-CG 3.7Å; F113-L274 HydrophobicContact CE2-CD2 4.1Å; F113-L274 HydrophobicContact CE2-CG 4.06Å; F113-L274 HydrophobicContact CG-CD2 3.94Å; F113-L274 HydrophobicContact CZ-CB 4.02Å; F113-L274 HydrophobicContact CZ-CD2 3.86Å; F113-L274 HydrophobicContact CZ-CG 3.56Å; F113-K275 HydrophobicContact CE1-CD 3.57Å; F113-K275 HydrophobicContact CE1-CG 3.89Å; F113-K275 HydrophobicContact CZ-CD 3.62Å; F113-K275 HydrophobicContact CZ-CG 4.12Å
114N98Very high97.9Very high55 Ų5545.5 Ų45.529%0.29424%0.236SC..Hα-helixtrans-64.7-41.8-179.9-175.643.5000111.7W110 D111 L116 G117 T118 E257W110-N114 VanDerWaalsContact O-CB 3.24Å; W110-N114 WeakPolarHBondContact O-CB 3.47Å; W110-N114 PolarHBondContact O-N 3.23Å; D111-N114 PolarHBondContact O-N 2.99Å; N114-L116 PolarHBondContact O-N 3.32Å; N114-G117 PolarHBondContact O-N 2.9Å; N114-T118 WeakPolarHBondContact CA-OG1 3.22Å; N114-T118 PolarHBondContact N-OG1 2.92Å; N114-E257 HydrophobicContact CB-CB 4.41Å
115Q97.8Very high97.8Very high174 Ų17448.3 Ų48.381%0.81326%0.261SS*.Hα-helixtrans-61.2-31.5175.4-174.1177.88600112.7D111D111-Q115 WeakPolarHBondContact O-CB 3.33Å; D111-Q115 PolarHBondContact O-N 2.81Å
116L96.9Very high97.7Very high32 Ų3247 Ų4717%0.16826%0.257CS..THydrogen-bonded Turntrans-86.6-4.2174.5-64.4179.4000114E112 F113 N114 N268 R270 I271 L274E112-L116 PolarHBondContact O-N 3.37Å; F113-L116 CarbonylContact O-C 3.55Å; F113-L116 PolarHBondContact O-N 3.08Å; N114-L116 PolarHBondContact O-N 3.32Å; L116-N268 PolarHBondContact O-ND2 2.97Å; L116-R270 HydrophobicContact CD1-CB 4.13Å; L116-R270 HydrophobicContact CD2-CB 4.23Å; L116-R270 VanDerWaalsContact CD2-CZ 3.49Å; L116-I271 HydrophobicContact CB-CD1 3.44Å; L116-I271 VanDerWaalsContact CB-CD1 3.44Å; L116-I271 HydrophobicContact CB-CG1 4.17Å; L116-I271 HydrophobicContact CD1-CD1 4.41Å; L116-L274 HydrophobicContact CD1-CD2 3.99Å
117G97.1Very high97.9Very high24 Ų2447.8 Ų47.825%0.24726%0.256CS..  trans75.982.2-172.300000112F113 N114 E119F113-G117 CarbonylContact O-C 3.56Å; F113-G117 PolarHBondContact O-N 3.03Å; F113-G117 VanDerWaalsContact O-N 3.11Å; N114-G117 PolarHBondContact O-N 2.9Å; G117-E119 PolarHBondContact O-N 3Å
118T98.5Very high97.9Very high2 Ų249.3 Ų49.31%0.01226%0.259CS..  trans-46.4128-174.2-48.50000113.2W110 F113 N114 M120 R259 F260 T261W110-T118 HydrophobicContact CZ3-CG2 4.49Å; F113-T118 HydrophobicContact CB-CG2 4.13Å; F113-T118 PolarHBondContact O-N 3.47Å; F113-T118 PolarHBondContact O-OG1 2.84Å; N114-T118 WeakPolarHBondContact CA-OG1 3.22Å; N114-T118 PolarHBondContact N-OG1 2.92Å; T118-M120 HydrophobicContact CG2-CE 4.11Å; T118-R259 VanDerWaalsContact CB-O 3.32Å; T118-R259 WeakPolarHBondContact CB-O 3.22Å; T118-R259 PolarHBondContact OG1-O 3.19Å; T118-F260 HydrophobicContact CG2-CB 3.67Å; T118-F260 CarbonylContact O-C 3.55Å; T118-F260 VanDerWaalsContact O-CA 3.23Å; T118-F260 WeakPolarHBondContact O-CA 3.44Å; T118-F260 WeakPolarHBondContact O-CB 3.2Å; T118-T261 PolarHBondContact O-N 2.96Å
119E98.7Very high97.9Very high0 Ų046.7 Ų46.70%024%0.236CC..EExtended strand (participates in β ladder)trans-112.6143.9170.2-57.4179.3-161.200111.1G117 W169 T261 V263 Y266 Q267 N268 I271 K275G117-E119 PolarHBondContact O-N 3Å; E119-W169 HydrophobicContact CG-CZ2 4.03Å; E119-T261 WeakPolarHBondContact CA-O 3.48Å; E119-V263 HydrophobicContact CB-CG2 4.03Å; E119-Y266 HydrophobicContact CB-CD1 3.98Å; E119-Y266 HydrophobicContact CB-CE1 4.28Å; E119-Y266 VanDerWaalsContact OE2-CA 3.22Å; E119-Y266 WeakPolarHBondContact OE2-CA 3.47Å; E119-Q267 PolarHBondContact OE2-N 2.88Å; E119-N268 VanDerWaalsContact OE1-CB 3.32Å; E119-N268 WeakPolarHBondContact OE1-CB 3.44Å; E119-N268 PolarHBondContact OE1-N 2.94Å; E119-I271 HydrophobicContact CB-CG2 4.09Å; E119-I271 HydrophobicContact CG-CG1 4.33Å; E119-I271 HydrophobicContact CG-CG2 4.42Å; E119-K275 WeakPolarHBondContact O-CE 3.36Å; E119-K275 PolarHBondContact O-NZ 3.37Å
120M98.6Very high97.9Very high3 Ų346.8 Ų46.82%0.01523%0.234CC..EExtended strand (participates in β ladder)trans-127.5129.5171.7-63.6-68.6-174.900110.4W110 T118 M129 F130 L208 F260 T261 V263W110-M120 HydrophobicContact CH2-CE 3.61Å; W110-M120 HydrophobicContact CZ3-CE 3.75Å; T118-M120 HydrophobicContact CG2-CE 4.11Å; M120-M129 HydrophobicContact CE-CB 4.16Å; M120-M129 HydrophobicContact SD-CB 4.07Å; M120-M129 HydrophobicContact SD-CG 4.47Å; M120-F130 WeakPolarHBondContact CE-O 3.44Å; M120-F130 VanDerWaalsContact SD-O 3.37Å; M120-L208 HydrophobicContact CB-CD1 3.94Å; M120-L208 HydrophobicContact CG-CD1 4.41Å; M120-F260 HydrophobicContact CB-CD2 3.49Å; M120-F260 VanDerWaalsContact CB-CD2 3.49Å; M120-F260 HydrophobicContact CB-CE2 3.72Å; M120-F260 HydrophobicContact CB-CG 4.2Å; M120-F260 HydrophobicContact CG-CB 3.94Å; M120-F260 HydrophobicContact CG-CD1 4.14Å; M120-F260 HydrophobicContact CG-CD2 3.37Å; M120-F260 HydrophobicContact CG-CE2 3.84Å; M120-F260 HydrophobicContact CG-CG 3.54Å; M120-F260 HydrophobicContact CG-CZ 4.4Å; M120-T261 PolarHBondContact N-O 3.23Å; M120-T261 VanDerWaalsContact N-O 3.08Å; M120-V263 PolarHBondContact O-N 3.24Å
121I98.5Very high97.9Very high12 Ų1246.8 Ų46.86%0.06224%0.235CC..EExtended strand (participates in β ladder)trans-72131177.2-60.8-57.9000110.5T123 R127 V263 Y266I121-T123 HydrophobicContact CG2-CG2 3.8Å; I121-R127 HydrophobicContact CB-CG 4.09Å; I121-R127 HydrophobicContact CG2-CG 4.08Å; I121-R127 WeakPolarHBondContact O-CB 3.21Å; I121-V263 CarbonylContact C-O 3.51Å; I121-V263 VanDerWaalsContact CA-O 3.25Å; I121-V263 WeakPolarHBondContact CA-O 3.25Å; I121-V263 HydrophobicContact CD1-CG2 3.89Å; I121-Y266 HydrophobicContact CD1-CD1 3.7Å; I121-Y266 HydrophobicContact CD1-CD2 4.05Å; I121-Y266 HydrophobicContact CD1-CE1 3.68Å; I121-Y266 HydrophobicContact CD1-CE2 4.04Å; I121-Y266 HydrophobicContact CD1-CG 3.88Å; I121-Y266 HydrophobicContact CG1-CD1 4.27Å; I121-Y266 HydrophobicContact CG1-CD2 4.47Å; I121-Y266 HydrophobicContact CG1-CE1 3.71Å; I121-Y266 HydrophobicContact CG1-CE2 3.95Å
122V98.2Very high97.9Very high2 Ų245.7 Ų45.71%0.01223%0.23CC..  trans-109.8137.7168.2-66.30000111L208 N210 L221 A262 V263 T264V122-L208 HydrophobicContact CG1-CB 3.86Å; V122-N210 HydrophobicContact CB-CB 4.22Å; V122-N210 HydrophobicContact CG2-CB 3.89Å; V122-L221 HydrophobicContact CG1-CB 4.36Å; V122-L221 HydrophobicContact CG1-CD1 4.47Å; V122-A262 HydrophobicContact CG1-CB 4.08Å; V122-V263 WeakPolarHBondContact CG2-O 3.43Å; V122-V263 PolarHBondContact N-O 2.84Å; V122-T264 HydrophobicContact CG2-CG2 4.21Å
123T97.9Very high97.9Very high30 Ų3041.2 Ų41.218%0.18421%0.209CC..  trans-142.2156178.471.30000111.9I121 A125 G126 R127 T209I121-T123 HydrophobicContact CG2-CG2 3.8Å; T123-A125 PolarHBondContact O-N 3.46Å; T123-A125 VanDerWaalsContact O-N 3.1Å; T123-G126 PolarHBondContact O-N 3.05Å; T123-R127 HydrophobicContact CG2-CB 4.3Å; T123-T209 WeakPolarHBondContact O-CA 3.32Å; T123-T209 WeakPolarHBondContact O-CB 3.43Å; T123-T209 PolarHBondContact O-OG1 3.14Å
124K96.5Very high97.9Very high155 Ų15543.4 Ų43.467%0.67422%0.219SC*.THydrogen-bonded Turntrans-52.5-34.8-179-177.2175.2-178.9178.90114.1T209 N210 N211K124-T209 PolarHBondContact O-OG1 2.79Å; K124-N210 PolarHBondContact N-OD1 3.37Å; K124-N210 VanDerWaalsContact N-OD1 3.13Å; K124-N211 HydrophobicContact CG-CB 4.18Å
125A96.6Very high97.9Very high69 Ų6940.8 Ų40.857%0.5721%0.205SC*.THydrogen-bonded Turntrans-90.12.9-178.900000114.4T123 K207 H218T123-A125 PolarHBondContact O-N 3.46Å; T123-A125 VanDerWaalsContact O-N 3.1Å; A125-K207 PolarHBondContact O-NZ 2.7Å; A125-H218 PolarHBondContact O-CE1 3.46Å
126G97.3Very high98Very high10 Ų1036.5 Ų36.510%0.10318%0.184CC..  trans76.6125.1-176.200000113.4T123 K207 L208T123-G126 PolarHBondContact O-N 3.05Å; G126-K207 VanDerWaalsContact O-CE 3.3Å; G126-K207 WeakPolarHBondContact O-CE 3.36Å; G126-L208 WeakPolarHBondContact CA-O 3.35Å
127R98.2Very high98Very high95 Ų9535.1 Ų35.136%0.35818%0.177SC..EExtended strand (participates in β ladder)trans-113.8135.1179.9-174.467.5166.1-156.2-10.6110.4I121 T123 K207 L208I121-R127 HydrophobicContact CB-CG 4.09Å; I121-R127 HydrophobicContact CG2-CG 4.08Å; I121-R127 WeakPolarHBondContact O-CB 3.21Å; T123-R127 HydrophobicContact CG2-CB 4.3Å; R127-K207 CarbonylContact O-C 3.48Å; R127-K207 VanDerWaalsContact O-CA 3.3Å; R127-K207 WeakPolarHBondContact O-CA 3.37Å; R127-L208 PolarHBondContact N-O 2.95Å; R127-L208 PolarHBondContact O-N 2.9Å
128R98.1Very high98Very high124 Ų12438 Ų3847%0.46818%0.183SC..EExtended strand (participates in β ladder)trans-67.9146.2175.4-69.6177.1168.8-140.3-12.8111.1D204 L206 K207R128-D204 WeakPolarHBondContact CD-O 3.33Å; R128-D204 WeakPolarHBondContact CG-O 3.32Å; R128-D204 IonicContact CZ-OD2 3.67Å; R128-D204 PolarHBondContact NE-O 2.86Å; R128-D204 VanDerWaalsContact NE-O 3.08Å; R128-D204 PolarHBondContact NH1-O 2.99Å; R128-D204 IonicContact NH1-OD2 3.53Å; R128-D204 PolarHBondContact NH1-OD2 3.07Å; R128-D204 IonicContact NH2-OD2 2.87Å; R128-D204 PolarHBondContact NH2-OD2 3.05Å; R128-L206 WeakPolarHBondContact CA-O 3.42Å; R128-K207 HydrophobicContact CG-CG 4.18Å
129M98.2Very high97.9Very high12 Ų1240.1 Ų40.16%0.05920%0.204CC..  trans-68.2151.9173.7-60.7-166.5-61.600111.6M120 F133 M150 F152 L206 L208M120-M129 HydrophobicContact CE-CB 4.16Å; M120-M129 HydrophobicContact SD-CB 4.07Å; M120-M129 HydrophobicContact SD-CG 4.47Å; M129-F133 HydrophobicContact CE-CB 3.7Å; M129-M150 HydrophobicContact CE-CE 4.46Å; M129-F152 HydrophobicContact CE-CZ 4.1Å; M129-F152 HydrophobicContact SD-CE1 3.75Å; M129-F152 HydrophobicContact SD-CZ 3.74Å; M129-L206 HydrophobicContact CE-CD1 4.27Å; M129-L206 HydrophobicContact CE-CD2 4.13Å; M129-L206 HydrophobicContact CG-CD2 4.42Å; M129-L206 HydrophobicContact SD-CD2 4.3Å; M129-L208 HydrophobicContact CG-CD1 3.82Å; M129-L208 HydrophobicContact CG-CD2 4.35Å; M129-L208 HydrophobicContact CG-CG 3.98Å; M129-L208 HydrophobicContact SD-CD1 4.22Å; M129-L208 HydrophobicContact SD-CD2 4.36Å
130F98Very high97.8Very high32 Ų3240.5 Ų40.514%0.1421%0.206CC..SBendtrans-145123.7164.9-173.6-88.1000110.1L109 F113 M120 K275 N279L109-F130 HydrophobicContact CD2-CZ 4.3Å; F113-F130 HydrophobicContact CE2-CD1 4.22Å; F113-F130 AromaticContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CE2-CE1 3.92Å; F113-F130 HydrophobicContact CZ-CD1 4.21Å; F113-F130 HydrophobicContact CZ-CE1 4.06Å; M120-F130 WeakPolarHBondContact CE-O 3.44Å; M120-F130 VanDerWaalsContact SD-O 3.37Å; F130-K275 HydrophobicContact CD1-CD 3.83Å; F130-K275 PolarHBondContact O-NZ 3.26Å; F130-N279 HydrophobicContact CD1-CB 4.14Å; F130-N279 HydrophobicContact CD2-CB 3.96Å; F130-N279 HydrophobicContact CE1-CB 3.88Å; F130-N279 HydrophobicContact CE2-CB 3.7Å; F130-N279 HydrophobicContact CG-CB 4.18Å; F130-N279 VanDerWaalsContact CZ-CA 3.48Å; F130-N279 HydrophobicContact CZ-CB 3.67Å
131P98.1Very high97.6Very high1 Ų142.3 Ų42.31%0.00622%0.216CC..SBendcis-61.3156.91.2-2033.1000112.8L109 W110 F113L109-P131 HydrophobicContact CD2-CB 4.25Å; L109-P131 HydrophobicContact CD2-CG 3.92Å; L109-P131 HydrophobicContact CG-CG 3.91Å; W110-P131 HydrophobicContact CD2-CB 4.27Å; W110-P131 HydrophobicContact CD2-CG 4.12Å; W110-P131 HydrophobicContact CE3-CG 4.45Å; W110-P131 HydrophobicContact CG-CG 4.49Å; W110-P131 HydrophobicContact CZ2-CB 3.92Å; W110-P131 HydrophobicContact CZ2-CG 4.44Å; W110-P131 WeakPolarHBondContact CZ2-O 3.31Å; F113-P131 HydrophobicContact CD2-CG 3.51Å; F113-P131 HydrophobicContact CE2-CG 3.69Å
132T97.9Very high97.5Very high33 Ų3344.7 Ų44.720%0.20223%0.232CC..  trans-69.5135.2173.4-55.10000108.5Q134 D204T132-Q134 HydrophobicContact CG2-CG 3.86Å; T132-Q134 PolarHBondContact O-N 3.43Å; T132-D204 HydrophobicContact CG2-CB 4.06Å
133F98.5Very high97.4Very high1 Ų151.1 Ų51.10%0.00426%0.264CS..  trans-71.8112.4172-169.3-84.1000109L104 M129 V135 M150 F203 P229 F231 F255 T258L104-F133 HydrophobicContact CD1-CD2 4.37Å; L104-F133 HydrophobicContact CD1-CE2 4.16Å; M129-F133 HydrophobicContact CE-CB 3.7Å; F133-V135 HydrophobicContact CD1-CG1 4.23Å; F133-V135 HydrophobicContact CE1-CG1 3.5Å; F133-V135 VanDerWaalsContact CE1-CG1 3.5Å; F133-V135 HydrophobicContact CZ-CG1 3.92Å; F133-M150 HydrophobicContact CB-CE 3.99Å; F133-M150 HydrophobicContact CB-SD 4.06Å; F133-M150 HydrophobicContact CD1-CE 3.57Å; F133-M150 HydrophobicContact CD1-SD 3.44Å; F133-M150 WeakPolarHBondContact CD1-SD 3.28Å; F133-M150 HydrophobicContact CD2-CE 3.63Å; F133-M150 HydrophobicContact CE1-CE 3.87Å; F133-M150 HydrophobicContact CE1-SD 3.96Å; F133-M150 HydrophobicContact CE2-CE 3.92Å; F133-M150 HydrophobicContact CG-CE 3.44Å; F133-M150 VanDerWaalsContact CG-CE 3.44Å; F133-M150 HydrophobicContact CG-SD 3.77Å; F133-M150 HydrophobicContact CZ-CE 4.03Å; F133-F203 HydrophobicContact CD1-CD2 4.02Å; F133-F203 PolarHBondContact O-N 3.33Å; F133-P229 HydrophobicContact CE2-CB 4.43Å; F133-F231 HydrophobicContact CE1-CB 3.8Å; F133-F231 HydrophobicContact CE1-CD2 4.25Å; F133-F231 HydrophobicContact CE1-CG 4.14Å; F133-F231 HydrophobicContact CZ-CB 3.78Å; F133-F255 HydrophobicContact CE2-CD2 4.06Å; F133-F255 AromaticContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CE2 4.12Å; F133-T258 HydrophobicContact CD2-CG2 4.09Å; F133-T258 HydrophobicContact CE2-CG2 3.98Å
134Q98.4Very high97.2Very high46 Ų4650 Ų5022%0.21526%0.258CS..EExtended strand (participates in β ladder)trans-132.5137-176.2-66.1-165.8-28.700109.4E105 M106 T132 I200 V201 S202E105-Q134 HydrophobicContact CB-CB 3.94Å; E105-Q134 PolarHBondContact N-O 3.04Å; M106-Q134 HydrophobicContact CE-CB 4.26Å; M106-Q134 HydrophobicContact CE-CG 4.02Å; M106-Q134 VanDerWaalsContact CE-OE1 3.27Å; T132-Q134 HydrophobicContact CG2-CG 3.86Å; T132-Q134 PolarHBondContact O-N 3.43Å; Q134-I200 HydrophobicContact CB-CG2 3.92Å; Q134-V201 CarbonylContact C-O 3.52Å; Q134-V201 VanDerWaalsContact CA-O 3.32Å; Q134-V201 WeakPolarHBondContact CA-O 3.5Å; Q134-S202 PolarHBondContact NE2-OG 3.04Å
135V98.5Very high97.1Very high0 Ų045 Ų450%024%0.238CC..EExtended strand (participates in β ladder)trans-140.6149-176.2-680000112.1V102 Q103 L104 F133 I137 V201 F231 F255V102-V135 HydrophobicContact CG1-CB 3.61Å; V102-V135 HydrophobicContact CG1-CG1 3.77Å; V102-V135 HydrophobicContact CG1-CG2 4.14Å; Q103-V135 CarbonylContact O-C 3.54Å; Q103-V135 VanDerWaalsContact O-CA 3.24Å; Q103-V135 WeakPolarHBondContact O-CA 3.32Å; L104-V135 HydrophobicContact CD1-CG1 4.45Å; F133-V135 HydrophobicContact CD1-CG1 4.23Å; F133-V135 HydrophobicContact CE1-CG1 3.5Å; F133-V135 VanDerWaalsContact CE1-CG1 3.5Å; F133-V135 HydrophobicContact CZ-CG1 3.92Å; V135-I137 HydrophobicContact CG2-CG1 4.36Å; V135-V201 HydrophobicContact CG2-CB 4.15Å; V135-V201 PolarHBondContact N-O 3.15Å; V135-V201 PolarHBondContact O-N 3Å; V135-F231 HydrophobicContact CG2-CD1 4.47Å; V135-F231 HydrophobicContact CG2-CE1 4.1Å; V135-F231 HydrophobicContact CG2-CE2 4.16Å; V135-F231 HydrophobicContact CG2-CZ 3.93Å; V135-F255 HydrophobicContact CG1-CE2 4.09Å
136K98.3Very high97.1Very high84 Ų8441.7 Ų41.737%0.36521%0.211SC..EExtended strand (participates in β ladder)trans-112131.2171.5-169.9173.8177.6-179.90109.2V102 Q103 E105 F138V102-K136 WeakPolarHBondContact CA-O 3.43Å; Q103-K136 HydrophobicContact CB-CB 4.5Å; Q103-K136 PolarHBondContact N-O 2.93Å; Q103-K136 PolarHBondContact O-N 2.87Å; E105-K136 HydrophobicContact CG-CB 4.34Å; E105-K136 WeakPolarHBondContact OE1-CB 3.44Å; E105-K136 WeakPolarHBondContact OE1-CD 3.34Å; K136-F138 HydrophobicContact CB-CE2 4.26Å; K136-F138 HydrophobicContact CB-CZ 4.38Å; K136-F138 HydrophobicContact CD-CE1 4.34Å; K136-F138 HydrophobicContact CD-CE2 4.36Å; K136-F138 HydrophobicContact CD-CZ 3.69Å; K136-F138 HydrophobicContact CG-CE1 4.31Å; K136-F138 HydrophobicContact CG-CE2 3.98Å; K136-F138 HydrophobicContact CG-CZ 3.69Å
137I98.1Very high97Very high2 Ų241.9 Ų41.91%0.0121%0.21CC..EExtended strand (participates in β ladder)trans-114.8141.1-168.3-47.2175.6000109.7I100 V102 V135 M140 L148 M197 V201 F231I100-I137 HydrophobicContact CG2-CG2 3.73Å; V102-I137 HydrophobicContact CG2-CG1 4.46Å; V102-I137 HydrophobicContact CG2-CG2 4.22Å; V135-I137 HydrophobicContact CG2-CG1 4.36Å; I137-M140 HydrophobicContact CB-SD 4.22Å; I137-M140 HydrophobicContact CG2-CG 3.69Å; I137-M140 HydrophobicContact CG2-SD 3.51Å; I137-M140 VanDerWaalsContact CG2-SD 3.51Å; I137-L148 HydrophobicContact CD1-CD1 3.56Å; I137-L148 HydrophobicContact CD1-CD2 4.22Å; I137-M197 WeakPolarHBondContact O-CG 3.46Å; I137-V201 HydrophobicContact CD1-CG2 3.88Å; I137-V201 HydrophobicContact CG1-CG2 4.47Å; I137-F231 HydrophobicContact CD1-CE1 4.18Å; I137-F231 HydrophobicContact CD1-CZ 3.75Å
138F97.6Very high97Very high86 Ų8637.4 Ų37.438%0.37719%0.193SC..EExtended strand (participates in β ladder)trans-137.5156.9-177.2-51.5-89.7000110.4I100 S101 Q103 K136 M140I100-F138 WeakPolarHBondContact CA-O 3.47Å; S101-F138 PolarHBondContact N-O 3.06Å; S101-F138 PolarHBondContact O-N 3.19Å; Q103-F138 HydrophobicContact CB-CE2 3.98Å; K136-F138 HydrophobicContact CB-CE2 4.26Å; K136-F138 HydrophobicContact CB-CZ 4.38Å; K136-F138 HydrophobicContact CD-CE1 4.34Å; K136-F138 HydrophobicContact CD-CE2 4.36Å; K136-F138 HydrophobicContact CD-CZ 3.69Å; K136-F138 HydrophobicContact CG-CE1 4.31Å; K136-F138 HydrophobicContact CG-CE2 3.98Å; K136-F138 HydrophobicContact CG-CZ 3.69Å; F138-M140 VanDerWaalsContact C-N 3.32Å; F138-M140 PolarHBondContact O-N 3.23Å
139G95.6Very high96.9Very high45 Ų4531.5 Ų31.546%0.46417%0.17SC..SBendtrans74.316.1171.900000115.7
140M96.2Very high96.9Very high8 Ų830.9 Ų30.94%0.03917%0.168CC..  trans-76.9153.8169-44.5-17681.100110.1I100 I137 F138 P142 Y146 W196 M197 V233I100-M140 HydrophobicContact CD1-CB 4.38Å; I100-M140 HydrophobicContact CD1-CE 4.27Å; I100-M140 HydrophobicContact CD1-CG 3.99Å; I100-M140 HydrophobicContact CG1-CG 4.15Å; I100-M140 HydrophobicContact CG2-CG 4.23Å; I137-M140 HydrophobicContact CB-SD 4.22Å; I137-M140 HydrophobicContact CG2-CG 3.69Å; I137-M140 HydrophobicContact CG2-SD 3.51Å; I137-M140 VanDerWaalsContact CG2-SD 3.51Å; F138-M140 VanDerWaalsContact C-N 3.32Å; F138-M140 PolarHBondContact O-N 3.23Å; M140-P142 WeakPolarHBondContact O-CD 3.4Å; M140-Y146 HydrophobicContact CB-CE2 3.94Å; M140-Y146 HydrophobicContact CE-CD1 3.76Å; M140-Y146 HydrophobicContact CE-CD2 3.46Å; M140-Y146 VanDerWaalsContact CE-CD2 3.46Å; M140-Y146 HydrophobicContact CE-CE1 4.15Å; M140-Y146 HydrophobicContact CE-CE2 3.87Å; M140-Y146 HydrophobicContact CE-CG 3.38Å; M140-W196 HydrophobicContact CE-CB 4.17Å; M140-W196 HydrophobicContact CE-CG 4.28Å; M140-W196 HydrophobicContact SD-CB 3.55Å; M140-W196 VanDerWaalsContact SD-CB 3.55Å; M140-W196 HydrophobicContact SD-CG 4.28Å; M140-M197 HydrophobicContact CB-CE 3.99Å; M140-M197 HydrophobicContact CB-CG 4.09Å; M140-M197 HydrophobicContact CB-SD 3.74Å; M140-M197 HydrophobicContact CG-CG 3.8Å; M140-M197 HydrophobicContact CG-SD 3.89Å; M140-M197 PolarHBondContact N-SD 2.72Å; M140-M197 VanDerWaalsContact N-SD 3.37Å; M140-M197 WeakPolarHBondContact O-CE 3.38Å; M140-M197 HydrophobicContact SD-CG 3.88Å; M140-V233 HydrophobicContact CE-CG1 3.79Å
141D95.4Very high96.8Very high41 Ų4129.9 Ų29.922%0.21916%0.163CC..  trans-71.7122.2167172.1-3.4000109.4K96 M143 A144 Y146 G193K96-D141 HydrophobicContact CD-CB 4.05Å; K96-D141 WeakPolarHBondContact CE-OD2 3.46Å; K96-D141 IonicContact NZ-OD2 2.63Å; K96-D141 PolarHBondContact NZ-OD2 2.88Å; D141-M143 PolarHBondContact O-N 3.24Å; D141-M143 VanDerWaalsContact O-N 3.15Å; D141-M143 PolarHBondContact OD1-N 3.11Å; D141-A144 HydrophobicContact CB-CB 3.76Å; D141-A144 PolarHBondContact O-N 2.96Å; D141-Y146 PolarHBondContact N-OH 2.93Å; D141-G193 WeakPolarHBondContact O-CA 3.42Å
142P96.2Very high96.7Very high62 Ų6230.8 Ų30.840%0.40317%0.167SC..THydrogen-bonded Turntrans-52.4-34.5178.3-29.337.4000114.8M140 A194 M197M140-P142 WeakPolarHBondContact O-CD 3.4Å; P142-A194 HydrophobicContact CB-CB 4.02Å; P142-A194 VanDerWaalsContact O-CB 3.31Å; P142-A194 WeakPolarHBondContact O-CB 3.42Å; P142-A194 PolarHBondContact O-N 3.08Å; P142-A194 VanDerWaalsContact O-N 3.14Å; P142-M197 HydrophobicContact CG-CE 4.35Å
143M95Very high96.6Very high137 Ų13731.4 Ų31.468%0.67517%0.169SC*.THydrogen-bonded Turntrans-96.5-15.3-171.2-63.4-65.8101.100114.1D141 K192D141-M143 PolarHBondContact O-N 3.24Å; D141-M143 VanDerWaalsContact O-N 3.15Å; D141-M143 PolarHBondContact OD1-N 3.11Å; M143-K192 VanDerWaalsContact O-CD 3.26Å; M143-K192 WeakPolarHBondContact O-CD 3.21Å; M143-K192 PolarHBondContact O-NZ 2.94Å
144A94Very high96.5Very high8 Ų835.2 Ų35.27%0.06619%0.194CC..SBendtrans-77.6148.9176.800000112D141 Y146 K192 G193 Y235D141-A144 HydrophobicContact CB-CB 3.76Å; D141-A144 PolarHBondContact O-N 2.96Å; A144-Y146 HydrophobicContact CB-CD2 4.31Å; A144-Y146 HydrophobicContact CB-CE2 3.59Å; A144-Y146 WeakPolarHBondContact O-CD2 3.43Å; A144-K192 CarbonylContact O-C 3.57Å; A144-K192 VanDerWaalsContact O-CA 3.31Å; A144-K192 WeakPolarHBondContact O-CA 3.5Å; A144-G193 PolarHBondContact O-N 2.89Å; A144-Y235 HydrophobicContact CB-CD2 3.98Å; A144-Y235 HydrophobicContact CB-CE2 3.74Å
145D94.9Very high96.5Very high49 Ų4936 Ų3626%0.26220%0.202SC..EExtended strand (participates in β ladder)trans-90.3139.6172.1-62.1-67.3000110.7K192 V236D145-K192 WeakPolarHBondContact OD1-CD 3.49Å; D145-K192 WeakPolarHBondContact OD1-CE 3.49Å; D145-K192 IonicContact OD1-NZ 3.12Å; D145-K192 PolarHBondContact OD1-NZ 2.74Å; D145-K192 VanDerWaalsContact OD1-NZ 3.12Å; D145-K192 IonicContact OD2-NZ 2.67Å; D145-K192 PolarHBondContact OD2-NZ 2.84Å; D145-V236 HydrophobicContact CB-CB 4.13Å; D145-V236 PolarHBondContact O-N 2.96Å
146Y95.9Very high96.4Very high0 Ų037.8 Ų37.80%021%0.211CC..EExtended strand (participates in β ladder)trans-136.4143.8179.4-61.3-94.5000111K96 V97 I100 M140 D141 A144 P190 A191 W196 V233 V234 Y235K96-Y146 WeakPolarHBondContact O-CE1 3.49Å; K96-Y146 PolarHBondContact O-OH 3.25Å; V97-Y146 HydrophobicContact CG1-CE1 4.15Å; I100-Y146 HydrophobicContact CD1-CD1 4.33Å; I100-Y146 HydrophobicContact CD1-CE1 3.65Å; M140-Y146 HydrophobicContact CB-CE2 3.94Å; M140-Y146 HydrophobicContact CE-CD1 3.76Å; M140-Y146 HydrophobicContact CE-CD2 3.46Å; M140-Y146 VanDerWaalsContact CE-CD2 3.46Å; M140-Y146 HydrophobicContact CE-CE1 4.15Å; M140-Y146 HydrophobicContact CE-CE2 3.87Å; M140-Y146 HydrophobicContact CE-CG 3.38Å; D141-Y146 PolarHBondContact N-OH 2.93Å; A144-Y146 HydrophobicContact CB-CD2 4.31Å; A144-Y146 HydrophobicContact CB-CE2 3.59Å; A144-Y146 WeakPolarHBondContact O-CD2 3.43Å; Y146-P190 WeakPolarHBondContact O-CA 3.44Å; Y146-A191 PolarHBondContact N-O 2.83Å; Y146-A191 PolarHBondContact O-N 2.67Å; Y146-W196 PolarHBondContact O-NE1 3.16Å; Y146-V233 HydrophobicContact CD1-CG1 3.83Å; Y146-V233 HydrophobicContact CE1-CG1 4.42Å; Y146-V233 HydrophobicContact CG-CG1 4.49Å; Y146-V234 CarbonylContact C-O 3.6Å; Y146-V234 WeakPolarHBondContact CA-O 3.31Å; Y146-Y235 HydrophobicContact CE1-CD2 4.24Å
147M95.9Very high96.3Very high14 Ų1438.5 Ų38.57%0.06922%0.219CC..EExtended strand (participates in β ladder)trans-100.1140.2164.5-63.7-176-65.900109.5M10 Y185 P190 V234 V236M10-M147 HydrophobicContact CB-CE 4.37Å; M10-M147 HydrophobicContact SD-CE 3.8Å; M10-M147 HydrophobicContact SD-SD 4.38Å; M147-Y185 HydrophobicContact CB-CE1 4.48Å; M147-Y185 HydrophobicContact SD-CD1 4.47Å; M147-Y185 HydrophobicContact SD-CE1 3.87Å; M147-P190 HydrophobicContact CG-CB 3.9Å; M147-V234 HydrophobicContact CB-CB 4.43Å; M147-V234 HydrophobicContact CE-CG1 4.27Å; M147-V234 PolarHBondContact N-O 3.37Å; M147-V234 PolarHBondContact O-N 3.36Å; M147-V236 HydrophobicContact CE-CG2 4.22Å; M147-V236 HydrophobicContact CG-CG2 3.75Å; M147-V236 HydrophobicContact SD-CG2 4.44Å
148L97.4Very high96.2Very high0 Ų042.4 Ų42.40%024%0.236CC..EExtended strand (participates in β ladder)trans-114.6129.1173.8-60.8-171.4000109.2I137 H186 S189 W196 V201 F203 F231 V233I137-L148 HydrophobicContact CD1-CD1 3.56Å; I137-L148 HydrophobicContact CD1-CD2 4.22Å; L148-H186 HydrophobicContact CB-CB 4.02Å; L148-H186 PolarHBondContact O-N 2.79Å; L148-S189 PolarHBondContact N-OG 3.33Å; L148-S189 PolarHBondContact O-OG 2.76Å; L148-W196 HydrophobicContact CB-CH2 4.3Å; L148-W196 HydrophobicContact CB-CZ2 4.3Å; L148-W196 HydrophobicContact CD1-CD2 3.47Å; L148-W196 VanDerWaalsContact CD1-CD2 3.47Å; L148-W196 HydrophobicContact CD1-CE3 3.35Å; L148-W196 HydrophobicContact CD1-CG 4.09Å; L148-W196 HydrophobicContact CD1-CH2 3.94Å; L148-W196 HydrophobicContact CD1-CZ2 4.04Å; L148-W196 HydrophobicContact CD1-CZ3 3.61Å; L148-W196 HydrophobicContact CG-CD2 3.93Å; L148-W196 HydrophobicContact CG-CE3 4.19Å; L148-W196 HydrophobicContact CG-CH2 4.08Å; L148-W196 HydrophobicContact CG-CZ2 3.81Å; L148-W196 HydrophobicContact CG-CZ3 4.27Å; L148-V201 HydrophobicContact CD1-CB 4.46Å; L148-V201 HydrophobicContact CD1-CG1 3.82Å; L148-V201 HydrophobicContact CD1-CG2 4.02Å; L148-F203 HydrophobicContact CB-CZ 4.4Å; L148-F231 HydrophobicContact CB-CE2 4.1Å; L148-F231 HydrophobicContact CB-CZ 4.41Å; L148-F231 HydrophobicContact CD1-CE2 4.33Å; L148-F231 HydrophobicContact CD1-CZ 4.05Å; L148-F231 HydrophobicContact CD2-CE2 4.31Å; L148-F231 HydrophobicContact CD2-CZ 3.8Å; L148-F231 HydrophobicContact CG-CE2 4.49Å; L148-F231 HydrophobicContact CG-CZ 4.32Å; L148-V233 HydrophobicContact CD2-CB 4.1Å; L148-V233 HydrophobicContact CD2-CG1 3.91Å; L148-V233 HydrophobicContact CD2-CG2 3.77Å
149L96.3Very high96.2Very high0 Ų043.4 Ų43.40%024%0.237CC..EExtended strand (participates in β ladder)trans-143.5159.3178.964.787.4000112T14 L18 V183 H184 Y185 H232 V234T14-L149 HydrophobicContact CG2-CD2 4.42Å; L18-L149 HydrophobicContact CD1-CD1 3.95Å; L149-V183 HydrophobicContact CD1-CB 4.22Å; L149-V183 HydrophobicContact CD1-CG1 4.16Å; L149-H184 CarbonylContact C-O 3.59Å; L149-H184 VanDerWaalsContact CA-O 3.31Å; L149-H184 WeakPolarHBondContact CA-O 3.26Å; L149-Y185 HydrophobicContact CB-CD1 4.12Å; L149-Y185 HydrophobicContact CB-CE1 4.48Å; L149-Y185 HydrophobicContact CB-CG 4.26Å; L149-Y185 HydrophobicContact CD2-CD1 4.18Å; L149-Y185 HydrophobicContact CD2-CE1 3.7Å; L149-H232 HydrophobicContact CD1-CB 3.73Å; L149-H232 HydrophobicContact CG-CB 4.04Å; L149-H232 PolarHBondContact N-O 2.79Å; L149-H232 VanDerWaalsContact N-O 3.11Å; L149-H232 PolarHBondContact O-N 3.13Å; L149-V234 HydrophobicContact CD2-CG2 4.3Å
150M97.8Very high96.4Very high0 Ų041.9 Ų41.90%022%0.218CC..EExtended strand (participates in β ladder)trans-120.2146.8172-70.6-172.773.200111.4M129 F133 F152 V183 H184 F203 L206 P229 R230 F231M129-M150 HydrophobicContact CE-CE 4.46Å; F133-M150 HydrophobicContact CB-CE 3.99Å; F133-M150 HydrophobicContact CB-SD 4.06Å; F133-M150 HydrophobicContact CD1-CE 3.57Å; F133-M150 HydrophobicContact CD1-SD 3.44Å; F133-M150 WeakPolarHBondContact CD1-SD 3.28Å; F133-M150 HydrophobicContact CD2-CE 3.63Å; F133-M150 HydrophobicContact CE1-CE 3.87Å; F133-M150 HydrophobicContact CE1-SD 3.96Å; F133-M150 HydrophobicContact CE2-CE 3.92Å; F133-M150 HydrophobicContact CG-CE 3.44Å; F133-M150 VanDerWaalsContact CG-CE 3.44Å; F133-M150 HydrophobicContact CG-SD 3.77Å; F133-M150 HydrophobicContact CZ-CE 4.03Å; M150-F152 HydrophobicContact CE-CZ 4.32Å; M150-V183 WeakPolarHBondContact O-CA 3.3Å; M150-H184 PolarHBondContact N-O 2.89Å; M150-H184 PolarHBondContact O-N 3.18Å; M150-F203 HydrophobicContact CG-CD1 3.99Å; M150-F203 HydrophobicContact CG-CD2 4.17Å; M150-F203 HydrophobicContact CG-CE1 3.84Å; M150-F203 HydrophobicContact CG-CE2 4.05Å; M150-F203 HydrophobicContact CG-CG 4.14Å; M150-F203 HydrophobicContact CG-CZ 3.88Å; M150-F203 HydrophobicContact SD-CB 3.85Å; M150-F203 HydrophobicContact SD-CD1 3.88Å; M150-F203 HydrophobicContact SD-CD2 3.64Å; M150-F203 HydrophobicContact SD-CE1 4.31Å; M150-F203 HydrophobicContact SD-CE2 4.12Å; M150-F203 HydrophobicContact SD-CG 3.5Å; M150-F203 WeakPolarHBondContact SD-CG 3.23Å; M150-F203 HydrophobicContact SD-CZ 4.42Å; M150-L206 HydrophobicContact CB-CD1 4.04Å; M150-L206 HydrophobicContact CG-CD1 4.41Å; M150-L206 HydrophobicContact SD-CD1 3.73Å; M150-P229 HydrophobicContact CE-CB 3.78Å; M150-R230 VanDerWaalsContact CA-O 3.3Å; M150-R230 WeakPolarHBondContact CA-O 3.45Å; M150-F231 HydrophobicContact CG-CD2 4.27Å
151D96.4Very high96.4Very high10 Ų1048.1 Ų48.15%0.05324%0.241CC..EExtended strand (participates in β ladder)trans-134.4174.5163.284.7-26.7000110.9V183 R230 H232D151-V183 HydrophobicContact CB-CG1 4.21Å; D151-R230 PolarHBondContact N-O 2.89Å; D151-R230 VanDerWaalsContact N-O 3.14Å; D151-R230 PolarHBondContact O-N 3.43Å; D151-R230 WeakPolarHBondContact OD1-CB 3.41Å; D151-R230 IonicContact OD1-CZ 3.21Å; D151-R230 IonicContact OD1-NE 3.71Å; D151-R230 PolarHBondContact OD1-NE 3.32Å; D151-R230 IonicContact OD1-NH2 2.67Å; D151-R230 PolarHBondContact OD1-NH2 2.92Å; D151-R230 IonicContact OD2-CZ 2.72Å; D151-R230 IonicContact OD2-NE 3.59Å; D151-R230 IonicContact OD2-NH2 2.93Å; D151-R230 PolarHBondContact OD2-NH2 3.34Å; D151-H232 WeakPolarHBondContact CB-NE2 3.3Å; D151-H232 IonicContact OD1-CD2 2.67Å; D151-H232 IonicContact OD1-CE1 2.76Å; D151-H232 CovalentContact OD1-NE2 1.76Å; D151-H232 IonicContact OD1-NE2 3.75Å; D151-H232 PolarHBondContact OD1-NE2 3.15Å; D151-H232 IonicContact OD2-NE2 3.78Å; D151-H232 PolarHBondContact OD2-NE2 3.11Å
152F97.4Very high96.6Very high21 Ų2146.7 Ų46.79%0.09223%0.232CC..EExtended strand (participates in β ladder)trans-134.3114-173.2-66.2-102.8000109.2M129 M150 L206 L208 I219 L221 Y227 P229 F260M129-F152 HydrophobicContact CE-CZ 4.1Å; M129-F152 HydrophobicContact SD-CE1 3.75Å; M129-F152 HydrophobicContact SD-CZ 3.74Å; M150-F152 HydrophobicContact CE-CZ 4.32Å; F152-L206 HydrophobicContact CE2-CD1 4.02Å; F152-L206 HydrophobicContact CE2-CD2 4.01Å; F152-L206 HydrophobicContact CZ-CD1 4.07Å; F152-L206 HydrophobicContact CZ-CD2 3.83Å; F152-L208 HydrophobicContact CE1-CD2 4.13Å; F152-L208 HydrophobicContact CE2-CD2 4.33Å; F152-L208 HydrophobicContact CZ-CD2 3.94Å; F152-I219 HydrophobicContact CB-CG2 4.45Å; F152-I219 HydrophobicContact CD2-CB 4.4Å; F152-I219 HydrophobicContact CD2-CD1 4.16Å; F152-I219 HydrophobicContact CD2-CG1 4.08Å; F152-I219 HydrophobicContact CD2-CG2 3.62Å; F152-I219 HydrophobicContact CE2-CB 4.46Å; F152-I219 HydrophobicContact CE2-CD1 4.3Å; F152-I219 HydrophobicContact CE2-CG1 3.9Å; F152-I219 HydrophobicContact CE2-CG2 4.11Å; F152-I219 HydrophobicContact CG-CG2 4.12Å; F152-L221 HydrophobicContact CB-CD2 4.1Å; F152-Y227 HydrophobicContact CB-CD1 4.49Å; F152-P229 HydrophobicContact CD1-CB 4.29Å; F152-P229 HydrophobicContact CD1-CG 4.17Å; F152-P229 HydrophobicContact CE1-CB 4.05Å; F152-P229 HydrophobicContact CE1-CG 3.92Å; F152-F260 AromaticContact CD1-CE1 3.72Å; F152-F260 HydrophobicContact CD1-CE1 3.72Å; F152-F260 AromaticContact CD1-CZ 3.84Å; F152-F260 HydrophobicContact CD1-CZ 3.84Å; F152-F260 AromaticContact CE1-CE1 3.73Å; F152-F260 HydrophobicContact CE1-CE1 3.73Å; F152-F260 AromaticContact CE1-CZ 3.96Å; F152-F260 HydrophobicContact CE1-CZ 3.96Å
153L95.4Very high96.6Very high46 Ų4644 Ų4424%0.24122%0.216CC..EExtended strand (participates in β ladder)trans-87.6143.5173.8-65.4-169.1000111.1N22 Y227 Q228 R230N22-L153 HydrophobicContact CB-CD2 4.44Å; N22-L153 VanDerWaalsContact ND2-CD2 3.32Å; N22-L153 WeakPolarHBondContact ND2-CD2 3Å; L153-Y227 CarbonylContact O-C 3.51Å; L153-Y227 WeakPolarHBondContact O-CA 3.36Å; L153-Y227 WeakPolarHBondContact O-CD1 3.47Å; L153-Q228 PolarHBondContact N-O 3.05Å; L153-Q228 PolarHBondContact O-N 2.85Å; L153-R230 HydrophobicContact CG-CG 4.3Å
154P96.4Very high96.6Very high80 Ų8043.8 Ų43.852%0.51921%0.211SC..EExtended strand (participates in β ladder)trans-62138.4158.929.7-33.5000109.4R226 Y227P154-R226 WeakPolarHBondContact CA-O 3.45Å; P154-Y227 HydrophobicContact CB-CE1 4.33Å
155V97.1Very high96.6Very high63 Ų6351.5 Ų51.538%0.38225%0.246SC..SBendtrans-78-36.1178.2175.80000111.2R226 Q228V155-R226 HydrophobicContact CB-CB 3.86Å; V155-R226 HydrophobicContact CG2-CB 4.03Å; V155-R226 PolarHBondContact N-O 3.35Å; V155-Q228 HydrophobicContact CG2-CB 4.03Å
156D96.3Very high96.6Very high38 Ų3852 Ų5220%0.20325%0.253CS..SBendtrans-154.8164.6174.450.614.7000112.7K158 Y160D156-K158 HydrophobicContact CB-CD 4.42Å; D156-K158 HydrophobicContact CB-CG 4.38Å; D156-K158 PolarHBondContact O-N 3.29Å; D156-K158 WeakPolarHBondContact OD2-CD 3.38Å; D156-K158 IonicContact OD2-NZ 3.23Å; D156-K158 PolarHBondContact OD2-NZ 3.38Å; D156-Y160 PolarHBondContact OD2-OH 3.23Å; D156-Y160 VanDerWaalsContact OD2-OH 3.13Å
157D96.5Very high96.5Very high98 Ų9855.3 Ų55.352%0.52428%0.276SS..SBendtrans-78.344.3177.5-173.130000111.7K174 A175D157-K174 VanDerWaalsContact CG-CE 3.47Å; D157-K174 WeakPolarHBondContact OD1-CE 3.41Å; D157-K174 WeakPolarHBondContact OD2-CE 3.23Å; D157-K174 IonicContact OD2-NZ 3.44Å; D157-A175 VanDerWaalsContact C-CB 3.48Å; D157-A175 PolarHBondContact O-N 3.11Å
158K97.1Very high96.5Very high85 Ų8556.5 Ų56.537%0.3729%0.286SS..EExtended strand (participates in β ladder)trans-129.1139.8-174.2-62.1176.3-158.1140.70112.5D156 Y160 V171 H225D156-K158 HydrophobicContact CB-CD 4.42Å; D156-K158 HydrophobicContact CB-CG 4.38Å; D156-K158 PolarHBondContact O-N 3.29Å; D156-K158 WeakPolarHBondContact OD2-CD 3.38Å; D156-K158 IonicContact OD2-NZ 3.23Å; D156-K158 PolarHBondContact OD2-NZ 3.38Å; K158-Y160 HydrophobicContact CB-CE2 3.94Å; K158-V171 HydrophobicContact CB-CG1 4.33Å; K158-V171 HydrophobicContact CD-CG1 4.28Å; K158-V171 HydrophobicContact CD-CG2 3.96Å; K158-V171 HydrophobicContact CG-CG1 4.39Å; K158-H225 PolarHBondContact O-CD2 3.05Å
159R97.9Very high96.4Very high106 Ų10658.5 Ų58.540%0.429%0.293SS..EExtended strand (participates in β ladder)trans-99.4138.3169-174.4167.5172.6176.2-3.9109.7A172 G173 K174 D176R159-A172 PolarHBondContact O-N 3.21Å; R159-G173 PolarHBondContact N-O 3.03Å; R159-G173 PolarHBondContact O-N 3.02Å; R159-K174 WeakPolarHBondContact CB-O 3.41Å; R159-D176 WeakPolarHBondContact CD-OD1 3.2Å; R159-D176 IonicContact CZ-OD1 3.96Å; R159-D176 IonicContact CZ-OD2 3.7Å; R159-D176 IonicContact NE-OD1 2.71Å; R159-D176 IonicContact NE-OD2 3.01Å; R159-D176 VanDerWaalsContact NH1-CG 3.26Å; R159-D176 IonicContact NH1-OD1 3.1Å; R159-D176 PolarHBondContact NH1-OD1 3.29Å; R159-D176 IonicContact NH1-OD2 3.67Å; R159-D176 PolarHBondContact NH1-OD2 3.39Å
160Y98.3Very high96.5Very high14 Ų1461.8 Ų61.86%0.05531%0.311CS..EExtended strand (participates in β ladder)trans-108.7163.1-173.3-75.8-90.2000113.6D156 K158 W169 L170 V171 M224 R226D156-Y160 PolarHBondContact OD2-OH 3.23Å; D156-Y160 VanDerWaalsContact OD2-OH 3.13Å; K158-Y160 HydrophobicContact CB-CE2 3.94Å; Y160-W169 HydrophobicContact CD1-CB 4.48Å; Y160-L170 CarbonylContact C-O 3.55Å; Y160-L170 WeakPolarHBondContact CA-O 3.24Å; Y160-L170 WeakPolarHBondContact CD1-O 3.4Å; Y160-V171 HydrophobicContact CE1-CG2 3.92Å; Y160-M224 WeakPolarHBondContact CB-O 3.47Å; Y160-M224 PolarHBondContact N-O 3.3Å; Y160-M224 WeakPolarHBondContact O-CB 3.37Å; Y160-R226 HydrophobicContact CD2-CG 4.04Å; Y160-R226 HydrophobicContact CE2-CB 4.45Å; Y160-R226 HydrophobicContact CE2-CG 3.8Å; Y160-R226 PolarHBondContact OH-NH1 2.96Å; Y160-R226 VanDerWaalsContact OH-NH1 3.11Å
161R97.8Very high96.5Very high138 Ų13865.7 Ų65.752%0.52133%0.334SS..EExtended strand (participates in β ladder)trans-143.3137.2167.6-179.9177.668.4-114.9-0.8109.1L170 A172R161-L170 PolarHBondContact N-O 2.83Å; R161-L170 PolarHBondContact O-N 2.91Å; R161-A172 HydrophobicContact CB-CB 3.91Å
162Y98Very high96.5Very high11 Ų1167.5 Ų67.54%0.04335%0.351CS..EExtended strand (participates in β ladder)trans-83136.9172.3-166.5-104.9000110.5F164 S167 W169 Q267 N268Y162-F164 AromaticContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD2 4.44Å; Y162-F164 AromaticContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE2 4.43Å; Y162-F164 HydrophobicContact CD1-CG 4.13Å; Y162-F164 HydrophobicContact CD1-CZ 4.12Å; Y162-F164 AromaticContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CE1 4.14Å; Y162-F164 HydrophobicContact CE1-CG 4.43Å; Y162-S167 VanDerWaalsContact OH-CA 3.29Å; Y162-S167 WeakPolarHBondContact OH-CA 3.4Å; Y162-S167 WeakPolarHBondContact OH-CB 3.37Å; Y162-S167 PolarHBondContact OH-O 2.7Å; Y162-W169 AromaticContact CD2-CD2 3.9Å; Y162-W169 HydrophobicContact CD2-CD2 3.9Å; Y162-W169 AromaticContact CD2-CE2 3.79Å; Y162-W169 HydrophobicContact CD2-CE3 4.45Å; Y162-W169 HydrophobicContact CD2-CG 4.09Å; Y162-W169 HydrophobicContact CD2-CZ2 4.27Å; Y162-W169 AromaticContact CD2-NE1 3.86Å; Y162-Q267 HydrophobicContact CD1-CB 3.87Å; Y162-Q267 HydrophobicContact CD2-CB 4.19Å; Y162-Q267 HydrophobicContact CG-CB 3.65Å; Y162-N268 HydrophobicContact CE2-CB 4.03Å
163A97Very high96.5Very high7 Ų768.2 Ų68.26%0.05836%0.363CS..EExtended strand (participates in β ladder)trans-109.396.5179.800000109.4H165 S166 S167 S168 L170A163-H165 VanDerWaalsContact C-N 3.32Å; A163-H165 PolarHBondContact O-N 3.26Å; A163-S166 WeakPolarHBondContact CB-OG 3.42Å; A163-S166 CarbonylContact O-C 3.59Å; A163-S166 PolarHBondContact O-N 3.01Å; A163-S166 VanDerWaalsContact O-N 3.1Å; A163-S166 PolarHBondContact O-OG 3.14Å; A163-S167 WeakPolarHBondContact O-CA 3.21Å; A163-S167 PolarHBondContact O-N 2.95Å; A163-S168 PolarHBondContact N-O 2.98Å; A163-S168 PolarHBondContact O-N 3.47Å; A163-L170 HydrophobicContact CB-CD1 3.69Å; A163-L170 HydrophobicContact CB-CG 3.99Å
164F95Very high96.5Very high132 Ų13273.3 Ų73.358%0.57938%0.384SS*.G310 helixtrans-57.3-40.7-172.8-65.6-83.3000113.5Y162 S166 S167 Q267Y162-F164 AromaticContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD1 3.8Å; Y162-F164 HydrophobicContact CD1-CD2 4.44Å; Y162-F164 AromaticContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE1 3.8Å; Y162-F164 HydrophobicContact CD1-CE2 4.43Å; Y162-F164 HydrophobicContact CD1-CG 4.13Å; Y162-F164 HydrophobicContact CD1-CZ 4.12Å; Y162-F164 AromaticContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CD1 3.89Å; Y162-F164 HydrophobicContact CE1-CE1 4.14Å; Y162-F164 HydrophobicContact CE1-CG 4.43Å; F164-S166 PolarHBondContact O-N 3.27Å; F164-S167 PolarHBondContact O-N 3.23Å; F164-Q267 WeakPolarHBondContact CE1-O 3.18Å
165H93.9Very high96.5Very high170 Ų17070.5 Ų70.579%0.78737%0.367SS*.G310 helixtrans-63.5-19.4179.66274.4000114.3A163A163-H165 VanDerWaalsContact C-N 3.32Å; A163-H165 PolarHBondContact O-N 3.26Å
166S93.8Very high96.3Very high60 Ų6070.1 Ų70.142%0.4236%0.363SS..G310 helixtrans-120.34.6176.753.90000113A163 F164 S168A163-S166 WeakPolarHBondContact CB-OG 3.42Å; A163-S166 CarbonylContact O-C 3.59Å; A163-S166 PolarHBondContact O-N 3.01Å; A163-S166 VanDerWaalsContact O-N 3.1Å; A163-S166 PolarHBondContact O-OG 3.14Å; F164-S166 PolarHBondContact O-N 3.27Å; S166-S168 PolarHBondContact O-N 3.11Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.92Å
167S94.5Very high96.1Very high69 Ų6973.9 Ų73.948%0.48339%0.39SS..THydrogen-bonded Turntrans4146-173.4-70.40000114.1Y162 A163 F164Y162-S167 VanDerWaalsContact OH-CA 3.29Å; Y162-S167 WeakPolarHBondContact OH-CA 3.4Å; Y162-S167 WeakPolarHBondContact OH-CB 3.37Å; Y162-S167 PolarHBondContact OH-O 2.7Å; A163-S167 WeakPolarHBondContact O-CA 3.21Å; A163-S167 PolarHBondContact O-N 2.95Å; F164-S167 PolarHBondContact O-N 3.23Å
168S95.3Very high95.6Very high39 Ų3973.7 Ų73.727%0.27340%0.401SS..EExtended strand (participates in β ladder)trans-135.9153.7-170.565.10000113.9A163 S166A163-S168 PolarHBondContact N-O 2.98Å; A163-S168 PolarHBondContact O-N 3.47Å; S166-S168 PolarHBondContact O-N 3.11Å; S166-S168 VanDerWaalsContact O-N 3.15Å; S166-S168 PolarHBondContact OG-OG 2.92Å
169W97.2Very high94.9Very high42 Ų4270.9 Ų70.916%0.15939%0.392CS..EExtended strand (participates in β ladder)trans-89.4116.7176.3-78.4103.3000111E119 Y160 Y162 M224 T261 V263 Q267E119-W169 HydrophobicContact CG-CZ2 4.03Å; Y160-W169 HydrophobicContact CD1-CB 4.48Å; Y162-W169 AromaticContact CD2-CD2 3.9Å; Y162-W169 HydrophobicContact CD2-CD2 3.9Å; Y162-W169 AromaticContact CD2-CE2 3.79Å; Y162-W169 HydrophobicContact CD2-CE3 4.45Å; Y162-W169 HydrophobicContact CD2-CG 4.09Å; Y162-W169 HydrophobicContact CD2-CZ2 4.27Å; Y162-W169 AromaticContact CD2-NE1 3.86Å; W169-M224 HydrophobicContact CH2-CE 4.02Å; W169-M224 HydrophobicContact CZ3-CE 3.71Å; W169-T261 HydrophobicContact CH2-CG2 3.69Å; W169-T261 HydrophobicContact CZ2-CG2 4.16Å; W169-T261 HydrophobicContact CZ3-CG2 3.92Å; W169-V263 HydrophobicContact CH2-CG1 3.91Å; W169-V263 HydrophobicContact CZ2-CG1 4.45Å; W169-Q267 HydrophobicContact CH2-CB 4.33Å; W169-Q267 HydrophobicContact CH2-CG 3.82Å; W169-Q267 HydrophobicContact CZ2-CB 4.24Å; W169-Q267 HydrophobicContact CZ2-CG 4.19Å
170L97.4Very high94.1Very high69 Ų6970 Ų7036%0.36140%0.4SS..EExtended strand (participates in β ladder)trans-106.3149.9176.7-56.8-177.2000111.1Y160 R161 A163Y160-L170 CarbonylContact C-O 3.55Å; Y160-L170 WeakPolarHBondContact CA-O 3.24Å; Y160-L170 WeakPolarHBondContact CD1-O 3.4Å; R161-L170 PolarHBondContact N-O 2.83Å; R161-L170 PolarHBondContact O-N 2.91Å; A163-L170 HydrophobicContact CB-CD1 3.69Å; A163-L170 HydrophobicContact CB-CG 3.99Å
171V98Very high93.1Very high81 Ų8172.5 Ų72.549%0.49143%0.429SS..EExtended strand (participates in β ladder)trans-72.8129.9167.41800000108.4K158 Y160K158-V171 HydrophobicContact CB-CG1 4.33Å; K158-V171 HydrophobicContact CD-CG1 4.28Å; K158-V171 HydrophobicContact CD-CG2 3.96Å; K158-V171 HydrophobicContact CG-CG1 4.39Å; Y160-V171 HydrophobicContact CE1-CG2 3.92Å
172A96.8Very high92.8Very high49 Ų4969.3 Ų69.341%0.40542%0.418SS..EExtended strand (participates in β ladder)trans-103.2-23.1179.600000113R159 R161R159-A172 PolarHBondContact O-N 3.21Å; R161-A172 HydrophobicContact CB-CB 3.91Å
173G96.6Very high92.6Very high35 Ų3570 Ų7036%0.36142%0.423SS..EExtended strand (participates in β ladder)trans169.7-166.5178.400000112.1R159R159-G173 PolarHBondContact N-O 3.03Å; R159-G173 PolarHBondContact O-N 3.02Å
174K96.8Very high92.5Very high154 Ų15471.5 Ų71.567%0.6743%0.428SS*.EExtended strand (participates in β ladder)trans-62155.4167.4-163.9-178.3-175.2-172.20110.5D157 R159D157-K174 VanDerWaalsContact CG-CE 3.47Å; D157-K174 WeakPolarHBondContact OD1-CE 3.41Å; D157-K174 WeakPolarHBondContact OD2-CE 3.23Å; D157-K174 IonicContact OD2-NZ 3.44Å; R159-K174 WeakPolarHBondContact CB-O 3.41Å
175A96Very high92.6Very high21 Ų2167.3 Ų67.317%0.17441%0.409CS..PPolyproline II helixtrans-61.4152.7171.500000113D157 H225D157-A175 VanDerWaalsContact C-CB 3.48Å; D157-A175 PolarHBondContact O-N 3.11Å; A175-H225 VanDerWaalsContact CA-NE2 3.3Å; A175-H225 WeakPolarHBondContact CA-NE2 3.33Å
176D93.2Very high92.7Very high54 Ų5459.9 Ų59.929%0.28938%0.375SS..PPolyproline II helixtrans-69.2151163.2-60.2-27.4000109.3R159 A178 N222 H225R159-D176 WeakPolarHBondContact CD-OD1 3.2Å; R159-D176 IonicContact CZ-OD1 3.96Å; R159-D176 IonicContact CZ-OD2 3.7Å; R159-D176 IonicContact NE-OD1 2.71Å; R159-D176 IonicContact NE-OD2 3.01Å; R159-D176 VanDerWaalsContact NH1-CG 3.26Å; R159-D176 IonicContact NH1-OD1 3.1Å; R159-D176 PolarHBondContact NH1-OD1 3.29Å; R159-D176 IonicContact NH1-OD2 3.67Å; R159-D176 PolarHBondContact NH1-OD2 3.39Å; D176-A178 PolarHBondContact O-N 3.27Å; D176-N222 PolarHBondContact O-ND2 3.38Å; D176-H225 PolarHBondContact N-NE2 2.76Å; D176-H225 IonicContact OD2-CE1 1.76Å; D176-H225 PolarHBondContact OD2-CE1 3.41Å; D176-H225 VanDerWaalsContact OD2-CE1 3.31Å
177P91.6Very high92.9Very high118 Ų11860.3 Ų60.377%0.76638%0.376SS*.PPolyproline II helixtrans-50.5139.8-176.2-29.235.8000114T179 N222P177-T179 PolarHBondContact O-N 3.27Å; P177-N222 PolarHBondContact O-ND2 3.34Å
178A85Confident92.9Very high93 Ų9360.8 Ų60.877%0.76937%0.373SS*.PPolyproline II helixtrans-56.8133.2-175.800000111.9D176D176-A178 PolarHBondContact O-N 3.27Å
179T83.8Confident92.9Very high27 Ų2760.2 Ų60.217%0.16637%0.369CS..PPolyproline II helixtrans-69149.6174.649.70000110.2P177 G181 L212 I220 N222P177-T179 PolarHBondContact O-N 3.27Å; T179-G181 PolarHBondContact O-N 3.14Å; T179-L212 HydrophobicContact CG2-CD2 3.93Å; T179-I220 WeakPolarHBondContact CB-O 3.25Å; T179-I220 HydrophobicContact CG2-CB 4.43Å; T179-I220 HydrophobicContact CG2-CG2 3.73Å; T179-I220 PolarHBondContact OG1-O 2.86Å; T179-N222 VanDerWaalsContact CG2-OD1 3.24Å; T179-N222 WeakPolarHBondContact CG2-OD1 3.32Å
180P81.3Confident92.9Very high87 Ų8761.7 Ų61.757%0.56538%0.384SS*.PPolyproline II helixtrans-54.7126.1175.8-26.535.3000111R182P180-R182 PolarHBondContact O-N 3.06Å
181G76.9Confident92.9Very high66 Ų6658.7 Ų58.768%0.6837%0.369SS*.  trans-61109.5-174.800000111.8T179T179-G181 PolarHBondContact O-N 3.14Å
182R90.9Very high92.8Very high72 Ų7258.7 Ų58.727%0.27236%0.363SS..  trans-109.1136.1177-73.3-176.3175.6-162.5-5.7110.9P180 D214 H218 I219P180-R182 PolarHBondContact O-N 3.06Å; R182-D214 PolarHBondContact NH1-O 3.14Å; R182-D214 IonicContact NH1-OD2 3.53Å; R182-D214 PolarHBondContact NH1-OD2 2.88Å; R182-D214 PolarHBondContact NH2-O 2.85Å; R182-H218 WeakPolarHBondContact CD-O 3.41Å; R182-H218 PolarHBondContact NH1-O 3.39Å; R182-I219 HydrophobicContact CB-CD1 4Å; R182-I219 VanDerWaalsContact O-CD1 3.26Å; R182-I219 WeakPolarHBondContact O-CD1 3.19Å
183V93.6Very high92.8Very high26 Ų2656.3 Ų56.316%0.15834%0.343CS..  trans-101.3150.4168.7-61.40000109.4T15 L18 L149 M150 D151 Y185T15-V183 HydrophobicContact CG2-CG1 4.26Å; T15-V183 HydrophobicContact CG2-CG2 3.83Å; L18-V183 HydrophobicContact CD1-CG1 4.07Å; L149-V183 HydrophobicContact CD1-CB 4.22Å; L149-V183 HydrophobicContact CD1-CG1 4.16Å; M150-V183 WeakPolarHBondContact O-CA 3.3Å; D151-V183 HydrophobicContact CB-CG1 4.21Å; V183-Y185 HydrophobicContact CG2-CD2 4.18Å; V183-Y185 HydrophobicContact CG2-CE2 3.62Å
184H96Very high92.8Very high37 Ų3756.9 Ų56.917%0.17134%0.344CS..EExtended strand (participates in β ladder)trans-122.6112.1172.3-177.478.8000109.9L149 M150 L206 I219L149-H184 CarbonylContact C-O 3.59Å; L149-H184 VanDerWaalsContact CA-O 3.31Å; L149-H184 WeakPolarHBondContact CA-O 3.26Å; M150-H184 PolarHBondContact N-O 2.89Å; M150-H184 PolarHBondContact O-N 3.18Å; H184-L206 HydrophobicContact CB-CD1 4.22Å; H184-L206 HydrophobicContact CB-CG 4.28Å; H184-I219 HydrophobicContact CB-CD1 4Å; H184-I219 HydrophobicContact CB-CG1 4.25Å
185Y95.9Very high92.9Very high44 Ų4454.5 Ų54.517%0.17334%0.336CS..EExtended strand (participates in β ladder)trans-73.9143176.2-70.8-98.5000111.2M10 E11 T14 M147 L149 V183M10-Y185 PolarHBondContact O-OH 3.41Å; E11-Y185 HydrophobicContact CG-CE2 3.73Å; T14-Y185 PolarHBondContact OG1-OH 3.38Å; M147-Y185 HydrophobicContact CB-CE1 4.48Å; M147-Y185 HydrophobicContact SD-CD1 4.47Å; M147-Y185 HydrophobicContact SD-CE1 3.87Å; L149-Y185 HydrophobicContact CB-CD1 4.12Å; L149-Y185 HydrophobicContact CB-CE1 4.48Å; L149-Y185 HydrophobicContact CB-CG 4.26Å; L149-Y185 HydrophobicContact CD2-CD1 4.18Å; L149-Y185 HydrophobicContact CD2-CE1 3.7Å; V183-Y185 HydrophobicContact CG2-CD2 4.18Å; V183-Y185 HydrophobicContact CG2-CE2 3.62Å
186H97.4Very high93Very high14 Ų1453.8 Ų53.87%0.06533%0.329CS..  trans-64.8132165.9-166.8-89.4000108.5L148 D188 S189 W196 V201 S202 F203L148-H186 HydrophobicContact CB-CB 4.02Å; L148-H186 PolarHBondContact O-N 2.79Å; H186-D188 IonicContact CE1-OD2 3.65Å; H186-D188 PolarHBondContact CE1-OD2 3.44Å; H186-D188 VanDerWaalsContact CE1-OD2 3.3Å; H186-D188 PolarHBondContact ND1-N 2.88Å; H186-D188 IonicContact ND1-OD2 3.43Å; H186-D188 PolarHBondContact O-N 3.13Å; H186-S189 VanDerWaalsContact O-CB 3.23Å; H186-S189 WeakPolarHBondContact O-CB 3.44Å; H186-S189 PolarHBondContact O-N 3.14Å; H186-S189 PolarHBondContact O-OG 3.3Å; H186-W196 HydrophobicContact CB-CH2 4.07Å; H186-W196 AromaticContact CE1-CZ3 3.85Å; H186-W196 AromaticContact CG-CH2 3.94Å; H186-W196 AromaticContact CG-CZ3 3.97Å; H186-W196 AromaticContact ND1-CH2 3.43Å; H186-W196 WeakPolarHBondContact ND1-CH2 3.28Å; H186-W196 AromaticContact ND1-CZ3 3.37Å; H186-W196 WeakPolarHBondContact ND1-CZ3 3.26Å; H186-V201 VanDerWaalsContact CD2-CG1 3.5Å; H186-V201 WeakPolarHBondContact CD2-CG1 3.22Å; H186-S202 PolarHBondContact NE2-O 2.93Å; H186-F203 HydrophobicContact CB-CE1 3.76Å; H186-F203 HydrophobicContact CB-CZ 3.88Å
187P96.2Very high93.2Very high69 Ų6954 Ų5445%0.44833%0.329SS..THydrogen-bonded Turntrans-60.4-23.2-171.425.5-38.3000114.3S189 K205P187-S189 PolarHBondContact O-N 2.93Å; P187-K205 HydrophobicContact CG-CD 4.06Å
188D96.1Very high93.5Very high79 Ų7956.7 Ų56.742%0.42233%0.328SS..THydrogen-bonded Turntrans-87.111.8179-48.4-15000112.4H186 P190 A191 W196H186-D188 IonicContact CE1-OD2 3.65Å; H186-D188 PolarHBondContact CE1-OD2 3.44Å; H186-D188 VanDerWaalsContact CE1-OD2 3.3Å; H186-D188 PolarHBondContact ND1-N 2.88Å; H186-D188 IonicContact ND1-OD2 3.43Å; H186-D188 PolarHBondContact O-N 3.13Å; D188-P190 CarbonylContact O-C 3.49Å; D188-A191 VanDerWaalsContact O-CB 3.32Å; D188-A191 WeakPolarHBondContact O-CB 3.24Å; D188-W196 HydrophobicContact CB-CH2 3.89Å; D188-W196 HydrophobicContact CB-CZ3 4.17Å
189S95.4Very high94Very high28 Ų2858.6 Ų58.620%0.19632%0.321CS..  trans-87.9144177.9-56.40000112.4L148 H186 P187L148-S189 PolarHBondContact N-OG 3.33Å; L148-S189 PolarHBondContact O-OG 2.76Å; H186-S189 VanDerWaalsContact O-CB 3.23Å; H186-S189 WeakPolarHBondContact O-CB 3.44Å; H186-S189 PolarHBondContact O-N 3.14Å; H186-S189 PolarHBondContact O-OG 3.3Å; P187-S189 PolarHBondContact O-N 2.93Å
190P95.8Very high94.7Very high72 Ų7260.7 Ų60.747%0.46833%0.331SS..SBendcis-76.6148.4-10.532.3-34.7000112Y146 M147 D188 V236Y146-P190 WeakPolarHBondContact O-CA 3.44Å; M147-P190 HydrophobicContact CG-CB 3.9Å; D188-P190 CarbonylContact O-C 3.49Å; P190-V236 HydrophobicContact CB-CG2 4.26Å
191A97Very high95.5Very high6 Ų656.9 Ų56.95%0.0531%0.306CS..EExtended strand (participates in β ladder)trans-144.8165.2172.600000112.5Y146 D188 Q195 W196Y146-A191 PolarHBondContact N-O 2.83Å; Y146-A191 PolarHBondContact O-N 2.67Å; D188-A191 VanDerWaalsContact O-CB 3.32Å; D188-A191 WeakPolarHBondContact O-CB 3.24Å; A191-Q195 HydrophobicContact CB-CB 4.48Å; A191-Q195 HydrophobicContact CB-CG 4.41Å; A191-W196 HydrophobicContact CB-CD2 4.47Å; A191-W196 HydrophobicContact CB-CZ2 3.89Å; A191-W196 PolarHBondContact O-NE1 3.17Å
192K96.8Very high96.5Very high81 Ų8155 Ų5535%0.35228%0.282SS..EExtended strand (participates in β ladder)trans-66.4145.2-179-66.9-69.2177.1-166.90112.3M143 A144 D145 A194 Q195 W196M143-K192 VanDerWaalsContact O-CD 3.26Å; M143-K192 WeakPolarHBondContact O-CD 3.21Å; M143-K192 PolarHBondContact O-NZ 2.94Å; A144-K192 CarbonylContact O-C 3.57Å; A144-K192 VanDerWaalsContact O-CA 3.31Å; A144-K192 WeakPolarHBondContact O-CA 3.5Å; D145-K192 WeakPolarHBondContact OD1-CD 3.49Å; D145-K192 WeakPolarHBondContact OD1-CE 3.49Å; D145-K192 IonicContact OD1-NZ 3.12Å; D145-K192 PolarHBondContact OD1-NZ 2.74Å; D145-K192 VanDerWaalsContact OD1-NZ 3.12Å; D145-K192 IonicContact OD2-NZ 2.67Å; D145-K192 PolarHBondContact OD2-NZ 2.84Å; K192-A194 PolarHBondContact O-N 3.21Å; K192-A194 VanDerWaalsContact O-N 3.15Å; K192-Q195 WeakPolarHBondContact O-CA 3.31Å; K192-Q195 WeakPolarHBondContact O-CB 3.34Å; K192-Q195 PolarHBondContact O-N 3.41Å; K192-W196 PolarHBondContact O-N 3.33Å; K192-W196 VanDerWaalsContact O-N 3.12Å
193G96.6Very high96.8Very high0 Ų051.9 Ų51.90%027%0.271CS..Hα-helixtrans-54.9-33.3173.300000113.1D141 A144 Q195 W196 M197D141-G193 WeakPolarHBondContact O-CA 3.42Å; A144-G193 PolarHBondContact O-N 2.89Å; G193-Q195 VanDerWaalsContact C-N 3.3Å; G193-Q195 PolarHBondContact O-N 3.37Å; G193-W196 PolarHBondContact O-N 3.08Å; G193-M197 WeakPolarHBondContact O-CG 3.16Å; G193-M197 PolarHBondContact O-N 3.21Å
194A97.5Very high97Very high46 Ų4653 Ų5338%0.3828%0.276SS..Hα-helixtrans-61.9-33.9173.200000113.7P142 K192P142-A194 HydrophobicContact CB-CB 4.02Å; P142-A194 VanDerWaalsContact O-CB 3.31Å; P142-A194 WeakPolarHBondContact O-CB 3.42Å; P142-A194 PolarHBondContact O-N 3.08Å; P142-A194 VanDerWaalsContact O-N 3.14Å; K192-A194 PolarHBondContact O-N 3.21Å; K192-A194 VanDerWaalsContact O-N 3.15Å
195Q97.7Very high97Very high105 Ų10556.7 Ų56.749%0.49129%0.291SS..Hα-helixtrans-76.6-42.9177.8-179.7175.2-32.100110.7A191 K192 G193 K198A191-Q195 HydrophobicContact CB-CB 4.48Å; A191-Q195 HydrophobicContact CB-CG 4.41Å; K192-Q195 WeakPolarHBondContact O-CA 3.31Å; K192-Q195 WeakPolarHBondContact O-CB 3.34Å; K192-Q195 PolarHBondContact O-N 3.41Å; G193-Q195 VanDerWaalsContact C-N 3.3Å; G193-Q195 PolarHBondContact O-N 3.37Å; Q195-K198 WeakPolarHBondContact O-CB 3.37Å; Q195-K198 PolarHBondContact O-N 3.4Å
196W98Very high97.1Very high6 Ų654.6 Ų54.62%0.02328%0.283CS..Hα-helixtrans-64.8-38.7178-67.3127.5000113.8M140 Y146 L148 H186 D188 A191 K192 G193 K198 V201M140-W196 HydrophobicContact CE-CB 4.17Å; M140-W196 HydrophobicContact CE-CG 4.28Å; M140-W196 HydrophobicContact SD-CB 3.55Å; M140-W196 VanDerWaalsContact SD-CB 3.55Å; M140-W196 HydrophobicContact SD-CG 4.28Å; Y146-W196 PolarHBondContact O-NE1 3.16Å; L148-W196 HydrophobicContact CB-CH2 4.3Å; L148-W196 HydrophobicContact CB-CZ2 4.3Å; L148-W196 HydrophobicContact CD1-CD2 3.47Å; L148-W196 VanDerWaalsContact CD1-CD2 3.47Å; L148-W196 HydrophobicContact CD1-CE3 3.35Å; L148-W196 HydrophobicContact CD1-CG 4.09Å; L148-W196 HydrophobicContact CD1-CH2 3.94Å; L148-W196 HydrophobicContact CD1-CZ2 4.04Å; L148-W196 HydrophobicContact CD1-CZ3 3.61Å; L148-W196 HydrophobicContact CG-CD2 3.93Å; L148-W196 HydrophobicContact CG-CE3 4.19Å; L148-W196 HydrophobicContact CG-CH2 4.08Å; L148-W196 HydrophobicContact CG-CZ2 3.81Å; L148-W196 HydrophobicContact CG-CZ3 4.27Å; H186-W196 HydrophobicContact CB-CH2 4.07Å; H186-W196 AromaticContact CE1-CZ3 3.85Å; H186-W196 AromaticContact CG-CH2 3.94Å; H186-W196 AromaticContact CG-CZ3 3.97Å; H186-W196 AromaticContact ND1-CH2 3.43Å; H186-W196 WeakPolarHBondContact ND1-CH2 3.28Å; H186-W196 AromaticContact ND1-CZ3 3.37Å; H186-W196 WeakPolarHBondContact ND1-CZ3 3.26Å; D188-W196 HydrophobicContact CB-CH2 3.89Å; D188-W196 HydrophobicContact CB-CZ3 4.17Å; A191-W196 HydrophobicContact CB-CD2 4.47Å; A191-W196 HydrophobicContact CB-CZ2 3.89Å; A191-W196 PolarHBondContact O-NE1 3.17Å; K192-W196 PolarHBondContact O-N 3.33Å; K192-W196 VanDerWaalsContact O-N 3.12Å; G193-W196 PolarHBondContact O-N 3.08Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.37Å; W196-V201 HydrophobicContact CE3-CG2 3.85Å; W196-V201 HydrophobicContact CZ3-CG1 4.31Å; W196-V201 HydrophobicContact CZ3-CG2 4.39Å
197M97.8Very high97.1Very high59 Ų5957 Ų5729%0.29129%0.293SS..THydrogen-bonded Turntrans-79.1-7.4177.9-63.4-170.9-65.800113.8I137 M140 P142 G193 Q199I137-M197 WeakPolarHBondContact O-CG 3.46Å; M140-M197 HydrophobicContact CB-CE 3.99Å; M140-M197 HydrophobicContact CB-CG 4.09Å; M140-M197 HydrophobicContact CB-SD 3.74Å; M140-M197 HydrophobicContact CG-CG 3.8Å; M140-M197 HydrophobicContact CG-SD 3.89Å; M140-M197 PolarHBondContact N-SD 2.72Å; M140-M197 VanDerWaalsContact N-SD 3.37Å; M140-M197 WeakPolarHBondContact O-CE 3.38Å; M140-M197 HydrophobicContact SD-CG 3.88Å; P142-M197 HydrophobicContact CG-CE 4.35Å; G193-M197 WeakPolarHBondContact O-CG 3.16Å; G193-M197 PolarHBondContact O-N 3.21Å; M197-Q199 PolarHBondContact O-N 3.23Å
198K97.2Very high97.2Very high173 Ų17353.8 Ų53.875%0.75227%0.272SS*.THydrogen-bonded Turntrans-69.8-31.9-175.4-172.5179.6177.4-175.60113.3Q195 W196Q195-K198 WeakPolarHBondContact O-CB 3.37Å; Q195-K198 PolarHBondContact O-N 3.4Å; W196-K198 VanDerWaalsContact C-N 3.28Å; W196-K198 PolarHBondContact O-N 3.37Å
199Q96.6Very high97.2Very high133 Ų13350 Ų5062%0.62125%0.252SS*.SBendtrans-153.4175.8-173.365.1-177.243.200111.2M197M197-Q199 PolarHBondContact O-N 3.23Å
200I98Very high97.3Very high72 Ų7251.8 Ų51.837%0.36926%0.26SS..  trans-67.2131.4173.2-64.9167.4000109.5E105 Q134E105-I200 HydrophobicContact CG-CD1 3.86Å; E105-I200 HydrophobicContact CG-CG1 3.97Å; E105-I200 HydrophobicContact CG-CG2 3.96Å; Q134-I200 HydrophobicContact CB-CG2 3.92Å
201V98.3Very high97.2Very high7 Ų750.2 Ų50.24%0.04225%0.247CC..EExtended strand (participates in β ladder)trans-88.1135.5172.4-179.40000108.6Q134 V135 I137 L148 H186 W196 F203Q134-V201 CarbonylContact C-O 3.52Å; Q134-V201 VanDerWaalsContact CA-O 3.32Å; Q134-V201 WeakPolarHBondContact CA-O 3.5Å; V135-V201 HydrophobicContact CG2-CB 4.15Å; V135-V201 PolarHBondContact N-O 3.15Å; V135-V201 PolarHBondContact O-N 3Å; I137-V201 HydrophobicContact CD1-CG2 3.88Å; I137-V201 HydrophobicContact CG1-CG2 4.47Å; L148-V201 HydrophobicContact CD1-CB 4.46Å; L148-V201 HydrophobicContact CD1-CG1 3.82Å; L148-V201 HydrophobicContact CD1-CG2 4.02Å; H186-V201 VanDerWaalsContact CD2-CG1 3.5Å; H186-V201 WeakPolarHBondContact CD2-CG1 3.22Å; W196-V201 HydrophobicContact CE3-CG2 3.85Å; W196-V201 HydrophobicContact CZ3-CG1 4.31Å; W196-V201 HydrophobicContact CZ3-CG2 4.39Å; V201-F203 HydrophobicContact CG1-CE2 4.07Å
202S98.1Very high97Very high27 Ų2755 Ų5519%0.18927%0.271CS..EExtended strand (participates in β ladder)trans-139.5115.7-167.1172.10000112.5Q134 H186 D204Q134-S202 PolarHBondContact NE2-OG 3.04Å; H186-S202 PolarHBondContact NE2-O 2.93Å; S202-D204 PolarHBondContact O-N 3.38Å
203F98.1Very high96.7Very high6 Ų657.6 Ų57.63%0.02629%0.289CS..  trans-85.252.3177.8-69.6-93.3000111.7F133 L148 M150 H186 V201 L206 F231F133-F203 HydrophobicContact CD1-CD2 4.02Å; F133-F203 PolarHBondContact O-N 3.33Å; L148-F203 HydrophobicContact CB-CZ 4.4Å; M150-F203 HydrophobicContact CG-CD1 3.99Å; M150-F203 HydrophobicContact CG-CD2 4.17Å; M150-F203 HydrophobicContact CG-CE1 3.84Å; M150-F203 HydrophobicContact CG-CE2 4.05Å; M150-F203 HydrophobicContact CG-CG 4.14Å; M150-F203 HydrophobicContact CG-CZ 3.88Å; M150-F203 HydrophobicContact SD-CB 3.85Å; M150-F203 HydrophobicContact SD-CD1 3.88Å; M150-F203 HydrophobicContact SD-CD2 3.64Å; M150-F203 HydrophobicContact SD-CE1 4.31Å; M150-F203 HydrophobicContact SD-CE2 4.12Å; M150-F203 HydrophobicContact SD-CG 3.5Å; M150-F203 WeakPolarHBondContact SD-CG 3.23Å; M150-F203 HydrophobicContact SD-CZ 4.42Å; H186-F203 HydrophobicContact CB-CE1 3.76Å; H186-F203 HydrophobicContact CB-CZ 3.88Å; V201-F203 HydrophobicContact CG1-CE2 4.07Å; F203-L206 HydrophobicContact CB-CB 4.14Å; F203-L206 HydrophobicContact CB-CD1 4.15Å; F203-L206 HydrophobicContact CD1-CD1 4.27Å; F203-L206 WeakPolarHBondContact O-CB 3.3Å; F203-L206 PolarHBondContact O-N 2.96Å; F203-F231 AromaticContact CE2-CD2 3.77Å; F203-F231 HydrophobicContact CE2-CD2 3.77Å; F203-F231 AromaticContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CZ-CD2 4Å; F203-F231 AromaticContact CZ-CE2 3.79Å; F203-F231 HydrophobicContact CZ-CE2 3.79Å
204D96.6Very high96.6Very high50 Ų5057.6 Ų57.627%0.26729%0.289SS..THydrogen-bonded Turntrans-70.2-31.5-177.385.7-66.6000112.9R128 T132 S202 L206R128-D204 WeakPolarHBondContact CD-O 3.33Å; R128-D204 WeakPolarHBondContact CG-O 3.32Å; R128-D204 IonicContact CZ-OD2 3.67Å; R128-D204 PolarHBondContact NE-O 2.86Å; R128-D204 VanDerWaalsContact NE-O 3.08Å; R128-D204 PolarHBondContact NH1-O 2.99Å; R128-D204 IonicContact NH1-OD2 3.53Å; R128-D204 PolarHBondContact NH1-OD2 3.07Å; R128-D204 IonicContact NH2-OD2 2.87Å; R128-D204 PolarHBondContact NH2-OD2 3.05Å; T132-D204 HydrophobicContact CG2-CB 4.06Å; S202-D204 PolarHBondContact O-N 3.38Å; D204-L206 VanDerWaalsContact C-N 3.32Å
205K95.6Very high96.3Very high113 Ų11363 Ų6349%0.49131%0.311SS..THydrogen-bonded Turntrans-78.5-14.6179.2-69.3158.7-167.2171.30113P187 K207P187-K205 HydrophobicContact CG-CD 4.06Å; K205-K207 PolarHBondContact O-N 2.86Å
206L97.6Very high96.1Very high0 Ų063.3 Ų63.30%032%0.316CS..  trans-62.7129.7179.5-165.4162.8000110R128 M129 M150 F152 H184 F203 D204 L208 I219R128-L206 WeakPolarHBondContact CA-O 3.42Å; M129-L206 HydrophobicContact CE-CD1 4.27Å; M129-L206 HydrophobicContact CE-CD2 4.13Å; M129-L206 HydrophobicContact CG-CD2 4.42Å; M129-L206 HydrophobicContact SD-CD2 4.3Å; M150-L206 HydrophobicContact CB-CD1 4.04Å; M150-L206 HydrophobicContact CG-CD1 4.41Å; M150-L206 HydrophobicContact SD-CD1 3.73Å; F152-L206 HydrophobicContact CE2-CD1 4.02Å; F152-L206 HydrophobicContact CE2-CD2 4.01Å; F152-L206 HydrophobicContact CZ-CD1 4.07Å; F152-L206 HydrophobicContact CZ-CD2 3.83Å; H184-L206 HydrophobicContact CB-CD1 4.22Å; H184-L206 HydrophobicContact CB-CG 4.28Å; F203-L206 HydrophobicContact CB-CB 4.14Å; F203-L206 HydrophobicContact CB-CD1 4.15Å; F203-L206 HydrophobicContact CD1-CD1 4.27Å; F203-L206 WeakPolarHBondContact O-CB 3.3Å; F203-L206 PolarHBondContact O-N 2.96Å; D204-L206 VanDerWaalsContact C-N 3.32Å; L206-L208 HydrophobicContact CD2-CD2 3.68Å; L206-I219 HydrophobicContact CD2-CG1 4.25Å
207K97.8Very high95.7Very high65 Ų6565 Ų6528%0.28334%0.335SS..EExtended strand (participates in β ladder)trans-125.5142.8179.2-78.6171.4159.4-162.50111.9A125 G126 R127 R128 K205 H218 I219A125-K207 PolarHBondContact O-NZ 2.7Å; G126-K207 VanDerWaalsContact O-CE 3.3Å; G126-K207 WeakPolarHBondContact O-CE 3.36Å; R127-K207 CarbonylContact O-C 3.48Å; R127-K207 VanDerWaalsContact O-CA 3.3Å; R127-K207 WeakPolarHBondContact O-CA 3.37Å; R128-K207 HydrophobicContact CG-CG 4.18Å; K205-K207 PolarHBondContact O-N 2.86Å; K207-H218 HydrophobicContact CB-CB 4.45Å; K207-H218 VanDerWaalsContact CD-CD2 3.45Å; K207-H218 WeakPolarHBondContact CD-CD2 3.12Å; K207-H218 WeakPolarHBondContact CD-NE2 3.15Å; K207-H218 PolarHBondContact NZ-NE2 3.39Å; K207-I219 PolarHBondContact O-N 3.26Å
208L98.1Very high95.7Very high1 Ų163.2 Ų63.21%0.00533%0.326CS..EExtended strand (participates in β ladder)trans-104.4132.7173.9-47.5-179000109.9M120 V122 G126 R127 M129 F152 L206 I219 L221 F260M120-L208 HydrophobicContact CB-CD1 3.94Å; M120-L208 HydrophobicContact CG-CD1 4.41Å; V122-L208 HydrophobicContact CG1-CB 3.86Å; G126-L208 WeakPolarHBondContact CA-O 3.35Å; R127-L208 PolarHBondContact N-O 2.95Å; R127-L208 PolarHBondContact O-N 2.9Å; M129-L208 HydrophobicContact CG-CD1 3.82Å; M129-L208 HydrophobicContact CG-CD2 4.35Å; M129-L208 HydrophobicContact CG-CG 3.98Å; M129-L208 HydrophobicContact SD-CD1 4.22Å; M129-L208 HydrophobicContact SD-CD2 4.36Å; F152-L208 HydrophobicContact CE1-CD2 4.13Å; F152-L208 HydrophobicContact CE2-CD2 4.33Å; F152-L208 HydrophobicContact CZ-CD2 3.94Å; L206-L208 HydrophobicContact CD2-CD2 3.68Å; L208-I219 CarbonylContact C-O 3.59Å; L208-I219 WeakPolarHBondContact CA-O 3.36Å; L208-I219 HydrophobicContact CD2-CB 3.98Å; L208-I219 HydrophobicContact CD2-CG2 4.11Å; L208-L221 HydrophobicContact CB-CD1 4.25Å; L208-L221 HydrophobicContact CD1-CD1 3.9Å; L208-L221 HydrophobicContact CD2-CD1 3.99Å; L208-L221 HydrophobicContact CG-CD1 4.27Å; L208-F260 HydrophobicContact CD1-CE2 3.95Å; L208-F260 HydrophobicContact CD1-CZ 3.84Å
209T97.6Very high95.7Very high0 Ų055.2 Ų55.20%029%0.292CS..EExtended strand (participates in β ladder)trans-127.8154.9178.7-173.10000111.3T123 K124 N211 D214 H218 I219 I220 L221T123-T209 WeakPolarHBondContact O-CA 3.32Å; T123-T209 WeakPolarHBondContact O-CB 3.43Å; T123-T209 PolarHBondContact O-OG1 3.14Å; K124-T209 PolarHBondContact O-OG1 2.79Å; T209-N211 WeakPolarHBondContact OG1-CB 3.38Å; T209-N211 PolarHBondContact OG1-N 2.88Å; T209-N211 VanDerWaalsContact OG1-N 3.11Å; T209-D214 HydrophobicContact CG2-CB 3.87Å; T209-H218 HydrophobicContact CG2-CB 3.71Å; T209-I219 PolarHBondContact N-O 3.09Å; T209-I220 HydrophobicContact CG2-CB 4.36Å; T209-I220 HydrophobicContact CG2-CG1 3.81Å; T209-I220 WeakPolarHBondContact O-CA 3.35Å; T209-L221 PolarHBondContact O-N 2.86Å
210N95.8Very high95.7Very high66 Ų6649.1 Ų49.135%0.35326%0.263SS..  trans-104.37.6168.569.6-40.3000112.6V122 K124V122-N210 HydrophobicContact CB-CB 4.22Å; V122-N210 HydrophobicContact CG2-CB 3.89Å; K124-N210 PolarHBondContact N-OD1 3.37Å; K124-N210 VanDerWaalsContact N-OD1 3.13Å
211N94.8Very high95.7Very high38 Ų3845.8 Ų45.820%0.20325%0.246CC..  trans-84.2112.2175.8-179.221.8000110.2K124 T209 L213 D214 I220K124-N211 HydrophobicContact CG-CB 4.18Å; T209-N211 WeakPolarHBondContact OG1-CB 3.38Å; T209-N211 PolarHBondContact OG1-N 2.88Å; T209-N211 VanDerWaalsContact OG1-N 3.11Å; N211-L213 PolarHBondContact ND2-O 3.16Å; N211-L213 PolarHBondContact O-N 3.03Å; N211-L213 PolarHBondContact OD1-N 3.02Å; N211-L213 VanDerWaalsContact OD1-N 3.09Å; N211-D214 HydrophobicContact CB-CB 4.27Å; N211-D214 PolarHBondContact ND2-N 3.44Å; N211-D214 PolarHBondContact O-N 3.28Å; N211-I220 WeakPolarHBondContact O-CD1 3.14Å; N211-I220 WeakPolarHBondContact O-CG1 3.46Å
212L91.9Very high95.6Very high106 Ų10646.6 Ų46.656%0.55525%0.25SC*.THydrogen-bonded Turntrans-63.8-22.3175.8-57.2-175.5000112.7T179 I220T179-L212 HydrophobicContact CG2-CD2 3.93Å; L212-I220 HydrophobicContact CD2-CG2 3.74Å
213L91.9Very high95.6Very high137 Ų13746.5 Ų46.572%0.71725%0.25SC*.THydrogen-bonded Turntrans-110.853.3179.8-54.3178000110.1N211N211-L213 PolarHBondContact ND2-O 3.16Å; N211-L213 PolarHBondContact O-N 3.03Å; N211-L213 PolarHBondContact OD1-N 3.02Å; N211-L213 VanDerWaalsContact OD1-N 3.09Å
214D93.1Very high95.6Very high0 Ų047.7 Ų47.70%026%0.255CS..  trans-92.6109.2177.2177.387.1000111.6R182 T209 N211 N216 G217 H218 I220R182-D214 PolarHBondContact NH1-O 3.14Å; R182-D214 IonicContact NH1-OD2 3.53Å; R182-D214 PolarHBondContact NH1-OD2 2.88Å; R182-D214 PolarHBondContact NH2-O 2.85Å; T209-D214 HydrophobicContact CG2-CB 3.87Å; N211-D214 HydrophobicContact CB-CB 4.27Å; N211-D214 PolarHBondContact ND2-N 3.44Å; N211-D214 PolarHBondContact O-N 3.28Å; D214-N216 VanDerWaalsContact C-N 3.27Å; D214-N216 PolarHBondContact O-N 3.37Å; D214-N216 PolarHBondContact OD1-ND2 2.82Å; D214-N216 PolarHBondContact OD2-N 3.01Å; D214-N216 VanDerWaalsContact OD2-N 3.16Å; D214-G217 PolarHBondContact OD2-N 3.29Å; D214-H218 IonicContact OD1-CE1 3.51Å; D214-H218 IonicContact OD1-CG 2.79Å; D214-H218 IonicContact OD1-ND1 3.39Å; D214-H218 PolarHBondContact OD1-ND1 2.87Å; D214-H218 WeakPolarHBondContact OD2-CB 3.23Å; D214-H218 IonicContact OD2-CG 3.58Å; D214-H218 PolarHBondContact OD2-N 1.76Å; D214-H218 IonicContact OD2-ND1 2.7Å; D214-H218 PolarHBondContact OD2-ND1 2.82Å; D214-I220 HydrophobicContact CB-CD1 4.42Å; D214-I220 HydrophobicContact CB-CG1 4.39Å
215D92.8Very high95.6Very high158 Ų15845.6 Ų45.685%0.84524%0.244SC*.THydrogen-bonded Turntrans-83.4-0.2179.9-52.9-49.1000113.6G217D215-G217 VanDerWaalsContact C-N 3.35Å; D215-G217 PolarHBondContact O-N 3.23Å
216N92.1Very high95.8Very high112 Ų11244 Ų4460%0.59924%0.235SC*.THydrogen-bonded Turntrans-87.2-0.8-173.5-54.5-80.9000113.8D214 H218D214-N216 VanDerWaalsContact C-N 3.27Å; D214-N216 PolarHBondContact O-N 3.37Å; D214-N216 PolarHBondContact OD1-ND2 2.82Å; D214-N216 PolarHBondContact OD2-N 3.01Å; D214-N216 VanDerWaalsContact OD2-N 3.16Å; N216-H218 VanDerWaalsContact C-N 3.27Å; N216-H218 WeakPolarHBondContact CB-CE1 3.24Å; N216-H218 PolarHBondContact O-N 3.06Å
217G91.2Very high95.8Very high41 Ų4144.4 Ų44.442%0.42324%0.237SC..  trans69.320.7-17200000114D214 D215D214-G217 PolarHBondContact OD2-N 3.29Å; D215-G217 VanDerWaalsContact C-N 3.35Å; D215-G217 PolarHBondContact O-N 3.23Å
218H96.1Very high95.8Very high23 Ų2342.4 Ų42.411%0.10623%0.228CC..PPolyproline II helixtrans-70.3154.8171.6-55.6138.2000110.7A125 R182 K207 T209 D214 N216 I220A125-H218 PolarHBondContact O-CE1 3.46Å; R182-H218 WeakPolarHBondContact CD-O 3.41Å; R182-H218 PolarHBondContact NH1-O 3.39Å; K207-H218 HydrophobicContact CB-CB 4.45Å; K207-H218 VanDerWaalsContact CD-CD2 3.45Å; K207-H218 WeakPolarHBondContact CD-CD2 3.12Å; K207-H218 WeakPolarHBondContact CD-NE2 3.15Å; K207-H218 PolarHBondContact NZ-NE2 3.39Å; T209-H218 HydrophobicContact CG2-CB 3.71Å; D214-H218 IonicContact OD1-CE1 3.51Å; D214-H218 IonicContact OD1-CG 2.79Å; D214-H218 IonicContact OD1-ND1 3.39Å; D214-H218 PolarHBondContact OD1-ND1 2.87Å; D214-H218 WeakPolarHBondContact OD2-CB 3.23Å; D214-H218 IonicContact OD2-CG 3.58Å; D214-H218 PolarHBondContact OD2-N 1.76Å; D214-H218 IonicContact OD2-ND1 2.7Å; D214-H218 PolarHBondContact OD2-ND1 2.82Å; N216-H218 VanDerWaalsContact C-N 3.27Å; N216-H218 WeakPolarHBondContact CB-CE1 3.24Å; N216-H218 PolarHBondContact O-N 3.06Å; H218-I220 PolarHBondContact O-N 3.16Å
219I97.1Very high95.8Very high5 Ų542.4 Ų42.43%0.02623%0.228CC..EExtended strand (participates in β ladder)trans-74.9120.4175.5-61.1-70.3000108.9F152 R182 H184 L206 K207 L208 T209 L221F152-I219 HydrophobicContact CB-CG2 4.45Å; F152-I219 HydrophobicContact CD2-CB 4.4Å; F152-I219 HydrophobicContact CD2-CD1 4.16Å; F152-I219 HydrophobicContact CD2-CG1 4.08Å; F152-I219 HydrophobicContact CD2-CG2 3.62Å; F152-I219 HydrophobicContact CE2-CB 4.46Å; F152-I219 HydrophobicContact CE2-CD1 4.3Å; F152-I219 HydrophobicContact CE2-CG1 3.9Å; F152-I219 HydrophobicContact CE2-CG2 4.11Å; F152-I219 HydrophobicContact CG-CG2 4.12Å; R182-I219 HydrophobicContact CB-CD1 4Å; R182-I219 VanDerWaalsContact O-CD1 3.26Å; R182-I219 WeakPolarHBondContact O-CD1 3.19Å; H184-I219 HydrophobicContact CB-CD1 4Å; H184-I219 HydrophobicContact CB-CG1 4.25Å; L206-I219 HydrophobicContact CD2-CG1 4.25Å; K207-I219 PolarHBondContact O-N 3.26Å; L208-I219 CarbonylContact C-O 3.59Å; L208-I219 WeakPolarHBondContact CA-O 3.36Å; L208-I219 HydrophobicContact CD2-CB 3.98Å; L208-I219 HydrophobicContact CD2-CG2 4.11Å; T209-I219 PolarHBondContact N-O 3.09Å; I219-L221 HydrophobicContact CG2-CD2 3.76Å; I219-L221 HydrophobicContact CG2-CG 4.03Å
220I97.1Very high95.8Very high4 Ų443.8 Ų43.82%0.02123%0.233CC..EExtended strand (participates in β ladder)trans-90.8120-178.8-54.4173.4000109.4T179 T209 N211 L212 D214 H218T179-I220 WeakPolarHBondContact CB-O 3.25Å; T179-I220 HydrophobicContact CG2-CB 4.43Å; T179-I220 HydrophobicContact CG2-CG2 3.73Å; T179-I220 PolarHBondContact OG1-O 2.86Å; T209-I220 HydrophobicContact CG2-CB 4.36Å; T209-I220 HydrophobicContact CG2-CG1 3.81Å; T209-I220 WeakPolarHBondContact O-CA 3.35Å; N211-I220 WeakPolarHBondContact O-CD1 3.14Å; N211-I220 WeakPolarHBondContact O-CG1 3.46Å; L212-I220 HydrophobicContact CD2-CG2 3.74Å; D214-I220 HydrophobicContact CB-CD1 4.42Å; D214-I220 HydrophobicContact CB-CG1 4.39Å; H218-I220 PolarHBondContact O-N 3.16Å
221L97.3Very high96Very high3 Ų340.6 Ų40.62%0.01622%0.217CC..  trans-125.7142.9178.5-56.1-179.3000111.3V122 F152 L208 T209 I219 Y227 F260 A262V122-L221 HydrophobicContact CG1-CB 4.36Å; V122-L221 HydrophobicContact CG1-CD1 4.47Å; F152-L221 HydrophobicContact CB-CD2 4.1Å; L208-L221 HydrophobicContact CB-CD1 4.25Å; L208-L221 HydrophobicContact CD1-CD1 3.9Å; L208-L221 HydrophobicContact CD2-CD1 3.99Å; L208-L221 HydrophobicContact CG-CD1 4.27Å; T209-L221 PolarHBondContact O-N 2.86Å; I219-L221 HydrophobicContact CG2-CD2 3.76Å; I219-L221 HydrophobicContact CG2-CG 4.03Å; L221-Y227 HydrophobicContact CB-CD2 4.34Å; L221-Y227 HydrophobicContact CB-CE2 3.77Å; L221-Y227 HydrophobicContact CD1-CD2 4.05Å; L221-Y227 HydrophobicContact CD1-CE2 4.32Å; L221-Y227 HydrophobicContact CD1-CG 4.36Å; L221-Y227 HydrophobicContact CD2-CD1 3.77Å; L221-Y227 HydrophobicContact CD2-CD2 4.14Å; L221-Y227 HydrophobicContact CD2-CE1 3.68Å; L221-Y227 HydrophobicContact CD2-CE2 4.04Å; L221-Y227 HydrophobicContact CD2-CG 4Å; L221-Y227 HydrophobicContact CG-CD2 4.42Å; L221-Y227 HydrophobicContact CG-CE2 4.26Å; L221-F260 HydrophobicContact CD1-CE2 3.84Å; L221-F260 HydrophobicContact CD1-CZ 3.68Å; L221-A262 HydrophobicContact CB-CB 4.24Å; L221-A262 HydrophobicContact CD1-CB 4.27Å
222N97.2Very high96.1Very high23 Ų2338.9 Ų38.912%0.12321%0.207CC..  trans-76.3130.9171.1-68.5-23000109.5D176 P177 T179 H225 Y227D176-N222 PolarHBondContact O-ND2 3.38Å; P177-N222 PolarHBondContact O-ND2 3.34Å; T179-N222 VanDerWaalsContact CG2-OD1 3.24Å; T179-N222 WeakPolarHBondContact CG2-OD1 3.32Å; N222-H225 WeakPolarHBondContact CB-ND1 3.22Å; N222-Y227 PolarHBondContact N-OH 3.37Å
223S97.5Very high96.3Very high26 Ų2633.8 Ų33.818%0.18218%0.181CC..THydrogen-bonded Turntrans-65149.9175.3-169.10000110.9H225 T264S223-H225 VanDerWaalsContact C-N 3.29Å; S223-H225 PolarHBondContact O-CE1 2.81Å; S223-H225 PolarHBondContact O-N 3.44Å; S223-H225 PolarHBondContact O-ND1 2.71Å; S223-T264 PolarHBondContact OG-N 3.11Å
224M97.9Very high96.4Very high30 Ų3028.3 Ų28.315%0.14815%0.153CC..THydrogen-bonded Turntrans63.326.8-176.7-45.1-57-76.800115Y160 W169 A262 V263 Q267Y160-M224 WeakPolarHBondContact CB-O 3.47Å; Y160-M224 PolarHBondContact N-O 3.3Å; Y160-M224 WeakPolarHBondContact O-CB 3.37Å; W169-M224 HydrophobicContact CH2-CE 4.02Å; W169-M224 HydrophobicContact CZ3-CE 3.71Å; M224-A262 WeakPolarHBondContact CA-O 3.48Å; M224-A262 PolarHBondContact N-O 3.24Å; M224-V263 HydrophobicContact SD-CG1 4.03Å; M224-Q267 HydrophobicContact CE-CG 4.33Å
225H98.2Very high96.4Very high6 Ų629.9 Ų29.93%0.02816%0.159CC..  trans-120153.8174.2-6476.6000111K158 A175 D176 N222 S223 Y227 T261 A262K158-H225 PolarHBondContact O-CD2 3.05Å; A175-H225 VanDerWaalsContact CA-NE2 3.3Å; A175-H225 WeakPolarHBondContact CA-NE2 3.33Å; D176-H225 PolarHBondContact N-NE2 2.76Å; D176-H225 IonicContact OD2-CE1 1.76Å; D176-H225 PolarHBondContact OD2-CE1 3.41Å; D176-H225 VanDerWaalsContact OD2-CE1 3.31Å; N222-H225 WeakPolarHBondContact CB-ND1 3.22Å; S223-H225 VanDerWaalsContact C-N 3.29Å; S223-H225 PolarHBondContact O-CE1 2.81Å; S223-H225 PolarHBondContact O-N 3.44Å; S223-H225 PolarHBondContact O-ND1 2.71Å; H225-Y227 HydrophobicContact CB-CE2 3.72Å; H225-T261 WeakPolarHBondContact O-CA 3.45Å; H225-A262 PolarHBondContact O-N 2.99Å
226R98.3Very high96.2Very high79 Ų7923.8 Ų23.830%0.29813%0.127SC..EExtended strand (participates in β ladder)trans-95134.2-178.9-73.1179.4172.4179.6-7.1111.3P154 V155 Y160 F260 T261P154-R226 WeakPolarHBondContact CA-O 3.45Å; V155-R226 HydrophobicContact CB-CB 3.86Å; V155-R226 HydrophobicContact CG2-CB 4.03Å; V155-R226 PolarHBondContact N-O 3.35Å; Y160-R226 HydrophobicContact CD2-CG 4.04Å; Y160-R226 HydrophobicContact CE2-CB 4.45Å; Y160-R226 HydrophobicContact CE2-CG 3.8Å; Y160-R226 PolarHBondContact OH-NH1 2.96Å; Y160-R226 VanDerWaalsContact OH-NH1 3.11Å; R226-F260 CarbonylContact C-O 3.57Å; R226-F260 WeakPolarHBondContact CA-O 3.26Å; R226-T261 HydrophobicContact CG-CG2 4.45Å
227Y98.3Very high95.7Very high10 Ų1019.3 Ų19.34%0.03910%0.103CC..EExtended strand (participates in β ladder)trans-129.2142.4-177.7-67.1-80.1000112.6F152 L153 P154 L221 N222 H225 R259 F260 A262F152-Y227 HydrophobicContact CB-CD1 4.49Å; L153-Y227 CarbonylContact O-C 3.51Å; L153-Y227 WeakPolarHBondContact O-CA 3.36Å; L153-Y227 WeakPolarHBondContact O-CD1 3.47Å; P154-Y227 HydrophobicContact CB-CE1 4.33Å; L221-Y227 HydrophobicContact CB-CD2 4.34Å; L221-Y227 HydrophobicContact CB-CE2 3.77Å; L221-Y227 HydrophobicContact CD1-CD2 4.05Å; L221-Y227 HydrophobicContact CD1-CE2 4.32Å; L221-Y227 HydrophobicContact CD1-CG 4.36Å; L221-Y227 HydrophobicContact CD2-CD1 3.77Å; L221-Y227 HydrophobicContact CD2-CD2 4.14Å; L221-Y227 HydrophobicContact CD2-CE1 3.68Å; L221-Y227 HydrophobicContact CD2-CE2 4.04Å; L221-Y227 HydrophobicContact CD2-CG 4Å; L221-Y227 HydrophobicContact CG-CD2 4.42Å; L221-Y227 HydrophobicContact CG-CE2 4.26Å; N222-Y227 PolarHBondContact N-OH 3.37Å; H225-Y227 HydrophobicContact CB-CE2 3.72Å; Y227-R259 WeakPolarHBondContact O-CA 3.25Å; Y227-F260 HydrophobicContact CD2-CE2 4.42Å; Y227-F260 PolarHBondContact N-O 2.81Å; Y227-F260 PolarHBondContact O-N 3.27Å; Y227-A262 HydrophobicContact CD2-CB 3.98Å; Y227-A262 HydrophobicContact CE2-CB 3.96Å
228Q98.3Very high95.1Very high22 Ų2222.7 Ų22.710%0.10312%0.118CC..EExtended strand (participates in β ladder)trans-109.7113171.8176.16164.800108.6L153 V155 V254 F255 T258L153-Q228 PolarHBondContact N-O 3.05Å; L153-Q228 PolarHBondContact O-N 2.85Å; V155-Q228 HydrophobicContact CG2-CB 4.03Å; Q228-V254 HydrophobicContact CG-CG1 3.57Å; Q228-F255 PolarHBondContact NE2-O 2.78Å; Q228-T258 PolarHBondContact NE2-OG1 3.1Å
229P98.1Very high94.2Very high1 Ų128.9 Ų28.91%0.00614%0.14CC..EExtended strand (participates in β ladder)trans-60.3140166.6-18.630000110.6F133 M150 F152 T258 F260F133-P229 HydrophobicContact CE2-CB 4.43Å; M150-P229 HydrophobicContact CE-CB 3.78Å; F152-P229 HydrophobicContact CD1-CB 4.29Å; F152-P229 HydrophobicContact CD1-CG 4.17Å; F152-P229 HydrophobicContact CE1-CB 4.05Å; F152-P229 HydrophobicContact CE1-CG 3.92Å; P229-T258 WeakPolarHBondContact CD-O 3.13Å; P229-T258 WeakPolarHBondContact CG-O 3.42Å; P229-F260 HydrophobicContact CG-CD1 4.2Å; P229-F260 HydrophobicContact CG-CE1 3.96Å
230R98Very high92.7Very high29 Ų2939.2 Ų39.211%0.10919%0.185CC..EExtended strand (participates in β ladder)trans-122.7140.5164.7-43.6-171.3-66.8-172.2-1.9109.2N22 M150 D151 L153 H232 T252 V254N22-R230 PolarHBondContact ND2-NH2 3.33Å; N22-R230 VanDerWaalsContact OD1-CZ 3.27Å; N22-R230 PolarHBondContact OD1-NH1 2.88Å; N22-R230 PolarHBondContact OD1-NH2 3.43Å; M150-R230 VanDerWaalsContact CA-O 3.3Å; M150-R230 WeakPolarHBondContact CA-O 3.45Å; D151-R230 PolarHBondContact N-O 2.89Å; D151-R230 VanDerWaalsContact N-O 3.14Å; D151-R230 PolarHBondContact O-N 3.43Å; D151-R230 WeakPolarHBondContact OD1-CB 3.41Å; D151-R230 IonicContact OD1-CZ 3.21Å; D151-R230 IonicContact OD1-NE 3.71Å; D151-R230 PolarHBondContact OD1-NE 3.32Å; D151-R230 IonicContact OD1-NH2 2.67Å; D151-R230 PolarHBondContact OD1-NH2 2.92Å; D151-R230 IonicContact OD2-CZ 2.72Å; D151-R230 IonicContact OD2-NE 3.59Å; D151-R230 IonicContact OD2-NH2 2.93Å; D151-R230 PolarHBondContact OD2-NH2 3.34Å; L153-R230 HydrophobicContact CG-CG 4.3Å; R230-H232 WeakPolarHBondContact CB-NE2 3.38Å; R230-H232 PolarHBondContact NE-CE1 3.08Å; R230-H232 PolarHBondContact NE-NE2 3.09Å; R230-H232 VanDerWaalsContact NE-NE2 3.14Å; R230-H232 PolarHBondContact NH2-CE1 3.49Å; R230-T252 HydrophobicContact CB-CG2 3.81Å; R230-T252 HydrophobicContact CG-CG2 4.45Å; R230-V254 HydrophobicContact CB-CG2 4.32Å; R230-V254 HydrophobicContact CG-CG2 4.06Å
231F98.2Very high91.2Very high0 Ų041.8 Ų41.80%020%0.199CC..EExtended strand (participates in β ladder)trans-107133.2173.8171.7-110.3000109.3V102 F133 V135 I137 L148 M150 F203 V233 T252 F253V102-F231 HydrophobicContact CG1-CD1 3.96Å; V102-F231 HydrophobicContact CG1-CE1 3.91Å; V102-F231 HydrophobicContact CG2-CD1 4.21Å; V102-F231 HydrophobicContact CG2-CE1 3.82Å; F133-F231 HydrophobicContact CE1-CB 3.8Å; F133-F231 HydrophobicContact CE1-CD2 4.25Å; F133-F231 HydrophobicContact CE1-CG 4.14Å; F133-F231 HydrophobicContact CZ-CB 3.78Å; V135-F231 HydrophobicContact CG2-CD1 4.47Å; V135-F231 HydrophobicContact CG2-CE1 4.1Å; V135-F231 HydrophobicContact CG2-CE2 4.16Å; V135-F231 HydrophobicContact CG2-CZ 3.93Å; I137-F231 HydrophobicContact CD1-CE1 4.18Å; I137-F231 HydrophobicContact CD1-CZ 3.75Å; L148-F231 HydrophobicContact CB-CE2 4.1Å; L148-F231 HydrophobicContact CB-CZ 4.41Å; L148-F231 HydrophobicContact CD1-CE2 4.33Å; L148-F231 HydrophobicContact CD1-CZ 4.05Å; L148-F231 HydrophobicContact CD2-CE2 4.31Å; L148-F231 HydrophobicContact CD2-CZ 3.8Å; L148-F231 HydrophobicContact CG-CE2 4.49Å; L148-F231 HydrophobicContact CG-CZ 4.32Å; M150-F231 HydrophobicContact CG-CD2 4.27Å; F203-F231 AromaticContact CE2-CD2 3.77Å; F203-F231 HydrophobicContact CE2-CD2 3.77Å; F203-F231 AromaticContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CE2-CE2 3.62Å; F203-F231 HydrophobicContact CZ-CD2 4Å; F203-F231 AromaticContact CZ-CE2 3.79Å; F203-F231 HydrophobicContact CZ-CE2 3.79Å; F231-V233 HydrophobicContact CD1-CG2 4.38Å; F231-V233 HydrophobicContact CE1-CG2 3.55Å; F231-V233 HydrophobicContact CZ-CG2 3.9Å; F231-T252 CarbonylContact O-C 3.57Å; F231-T252 WeakPolarHBondContact O-CA 3.45Å; F231-F253 HydrophobicContact CD1-CB 4.23Å; F231-F253 AromaticContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CG 4.36Å; F231-F253 HydrophobicContact CE1-CD2 4.35Å; F231-F253 PolarHBondContact N-O 2.91Å; F231-F253 PolarHBondContact O-N 2.93Å
232H96.8Very high89.7Confident1 Ų142.6 Ų42.61%0.00521%0.205CC..EExtended strand (participates in β ladder)trans-124.7131.3-175-54.9-98.6000110.7L149 D151 R230 T252L149-H232 HydrophobicContact CD1-CB 3.73Å; L149-H232 HydrophobicContact CG-CB 4.04Å; L149-H232 PolarHBondContact N-O 2.79Å; L149-H232 VanDerWaalsContact N-O 3.11Å; L149-H232 PolarHBondContact O-N 3.13Å; D151-H232 WeakPolarHBondContact CB-NE2 3.3Å; D151-H232 IonicContact OD1-CD2 2.67Å; D151-H232 IonicContact OD1-CE1 2.76Å; D151-H232 CovalentContact OD1-NE2 1.76Å; D151-H232 IonicContact OD1-NE2 3.75Å; D151-H232 PolarHBondContact OD1-NE2 3.15Å; D151-H232 IonicContact OD2-NE2 3.78Å; D151-H232 PolarHBondContact OD2-NE2 3.11Å; R230-H232 WeakPolarHBondContact CB-NE2 3.38Å; R230-H232 PolarHBondContact NE-CE1 3.08Å; R230-H232 PolarHBondContact NE-NE2 3.09Å; R230-H232 VanDerWaalsContact NE-NE2 3.14Å; R230-H232 PolarHBondContact NH2-CE1 3.49Å; H232-T252 VanDerWaalsContact CE1-CG2 3.4Å; H232-T252 WeakPolarHBondContact CE1-CG2 3.32Å; H232-T252 PolarHBondContact CE1-OG1 2.83Å; H232-T252 PolarHBondContact ND1-OG1 2.87Å
233V96.4Very high88Confident0 Ų047.1 Ų47.10%023%0.225CC..EExtended strand (participates in β ladder)trans-106.7119.3170.1-176.10000107.6I100 M140 Y146 L148 F231 Y250 K251 F253I100-V233 HydrophobicContact CD1-CG1 3.69Å; I100-V233 HydrophobicContact CG2-CG2 4.42Å; M140-V233 HydrophobicContact CE-CG1 3.79Å; Y146-V233 HydrophobicContact CD1-CG1 3.83Å; Y146-V233 HydrophobicContact CE1-CG1 4.42Å; Y146-V233 HydrophobicContact CG-CG1 4.49Å; L148-V233 HydrophobicContact CD2-CB 4.1Å; L148-V233 HydrophobicContact CD2-CG1 3.91Å; L148-V233 HydrophobicContact CD2-CG2 3.77Å; F231-V233 HydrophobicContact CD1-CG2 4.38Å; F231-V233 HydrophobicContact CE1-CG2 3.55Å; F231-V233 HydrophobicContact CZ-CG2 3.9Å; V233-Y250 CarbonylContact O-C 3.56Å; V233-Y250 VanDerWaalsContact O-CA 3.31Å; V233-Y250 WeakPolarHBondContact O-CA 3.21Å; V233-K251 PolarHBondContact N-O 3.03Å; V233-K251 PolarHBondContact O-N 2.67Å; V233-F253 HydrophobicContact CB-CE2 4.28Å; V233-F253 HydrophobicContact CG2-CD2 4.21Å; V233-F253 HydrophobicContact CG2-CE2 3.67Å
234V94.4Very high86.3Confident21 Ų2153.6 Ų53.613%0.12725%0.25CS..EExtended strand (participates in β ladder)trans-114.6122.9179.1-172.30000108.8Y146 M147 L149Y146-V234 CarbonylContact C-O 3.6Å; Y146-V234 WeakPolarHBondContact CA-O 3.31Å; M147-V234 HydrophobicContact CB-CB 4.43Å; M147-V234 HydrophobicContact CE-CG1 4.27Å; M147-V234 PolarHBondContact N-O 3.37Å; M147-V234 PolarHBondContact O-N 3.36Å; L149-V234 HydrophobicContact CD2-CG2 4.3Å
235Y92.8Very high84.7Confident34 Ų3456.7 Ų56.713%0.13326%0.261CS..EExtended strand (participates in β ladder)trans-75.5128.7169.8166-109.2000109.8N94 K96 A144 Y146 D237 N249N94-Y235 WeakPolarHBondContact ND2-CD1 3.37Å; K96-Y235 HydrophobicContact CB-CD1 4.38Å; K96-Y235 HydrophobicContact CB-CD2 3.95Å; K96-Y235 HydrophobicContact CB-CE2 4.29Å; K96-Y235 HydrophobicContact CB-CG 4Å; K96-Y235 HydrophobicContact CG-CD2 4.28Å; K96-Y235 HydrophobicContact CG-CE1 4.47Å; K96-Y235 HydrophobicContact CG-CE2 4.1Å; A144-Y235 HydrophobicContact CB-CD2 3.98Å; A144-Y235 HydrophobicContact CB-CE2 3.74Å; Y146-Y235 HydrophobicContact CE1-CD2 4.24Å; Y235-D237 HydrophobicContact CD1-CB 4.14Å; Y235-D237 HydrophobicContact CE1-CB 3.55Å; Y235-D237 PolarHBondContact O-N 3.34Å; Y235-N249 PolarHBondContact N-O 2.93Å
236V88.9Confident83.3Confident30 Ų3057.2 Ų57.218%0.18227%0.266CS..  trans-89.499.2175.8-1740000108M10 D145 M147 P190 P238M10-V236 HydrophobicContact CE-CG1 4.37Å; D145-V236 HydrophobicContact CB-CB 4.13Å; D145-V236 PolarHBondContact O-N 2.96Å; M147-V236 HydrophobicContact CE-CG2 4.22Å; M147-V236 HydrophobicContact CG-CG2 3.75Å; M147-V236 HydrophobicContact SD-CG2 4.44Å; P190-V236 HydrophobicContact CB-CG2 4.26Å; V236-P238 WeakPolarHBondContact O-CD 3.25Å
237D82.3Confident82Confident17 Ų1758.1 Ų58.19%0.09127%0.274CS..  trans-73.2122.4174.1-168.6-20.6000110.1Y235 R239Y235-D237 HydrophobicContact CD1-CB 4.14Å; Y235-D237 HydrophobicContact CE1-CB 3.55Å; Y235-D237 PolarHBondContact O-N 3.34Å; D237-R239 PolarHBondContact O-N 3.4Å; D237-R239 WeakPolarHBondContact OD1-CB 3.47Å; D237-R239 WeakPolarHBondContact OD1-CD 3.3Å; D237-R239 WeakPolarHBondContact OD1-CG 3.5Å; D237-R239 PolarHBondContact OD1-N 2.89Å
238P77.3Confident81Confident112 Ų11260.6 Ų60.673%0.72729%0.286SS*.  trans-63.8-6.2177.4-2335.3000115.3V236V236-P238 WeakPolarHBondContact O-CD 3.25Å
239R77.8Confident80.4Confident154 Ų15459.8 Ų59.858%0.58128%0.282SS*.SBendtrans-73.8147178.8-66.7170.7-176.81800.2112.7D237 D241 S242D237-R239 PolarHBondContact O-N 3.4Å; D237-R239 WeakPolarHBondContact OD1-CB 3.47Å; D237-R239 WeakPolarHBondContact OD1-CD 3.3Å; D237-R239 WeakPolarHBondContact OD1-CG 3.5Å; D237-R239 PolarHBondContact OD1-N 2.89Å; R239-D241 VanDerWaalsContact C-N 3.28Å; R239-D241 PolarHBondContact O-N 3.18Å; R239-S242 VanDerWaalsContact O-CB 3.26Å; R239-S242 WeakPolarHBondContact O-CB 3.11Å; R239-S242 PolarHBondContact O-N 2.82Å; R239-S242 PolarHBondContact O-OG 2.88Å
240K65.8Low80Confident221 Ų22162 Ų6296%0.96129%0.291SS*.THydrogen-bonded Turntrans-74.2-11.4178.3-67.4-169.7176.6-173.20114.7
241D65.4Low79.8Confident58 Ų5863 Ų6331%0.3130%0.296SS..THydrogen-bonded Turntrans-109.619.4176.368.4-36.7000112.9R239 E243 K244R239-D241 VanDerWaalsContact C-N 3.28Å; R239-D241 PolarHBondContact O-N 3.18Å; D241-E243 PolarHBondContact O-N 3.2Å; D241-K244 HydrophobicContact CB-CD 4.1Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 3.08Å
242S65.2Low79.7Confident21 Ų2165.1 Ų65.115%0.14731%0.309CS..G310 helixtrans-56.1-28.9-177.846.20000114.8R239 K244 Y245 A246R239-S242 VanDerWaalsContact O-CB 3.26Å; R239-S242 WeakPolarHBondContact O-CB 3.11Å; R239-S242 PolarHBondContact O-N 2.82Å; R239-S242 PolarHBondContact O-OG 2.88Å; S242-K244 PolarHBondContact O-N 3.07Å; S242-Y245 PolarHBondContact O-N 3.26Å; S242-Y245 VanDerWaalsContact O-N 3.14Å; S242-A246 PolarHBondContact O-N 3.37Å
243E62.3Low79.7Confident118 Ų11866.3 Ų66.355%0.55131%0.314SS*.G310 helixtrans-55.8-35173-63-171.3146.400112.9F13 D241 Y245 A246F13-E243 HydrophobicContact CD2-CB 4.18Å; F13-E243 HydrophobicContact CD2-CG 3.9Å; F13-E243 HydrophobicContact CE2-CB 3.75Å; F13-E243 HydrophobicContact CE2-CG 4Å; F13-E243 HydrophobicContact CZ-CB 4.42Å; D241-E243 PolarHBondContact O-N 3.2Å; E243-Y245 PolarHBondContact O-N 3.44Å; E243-A246 WeakPolarHBondContact O-CB 3.46Å; E243-A246 PolarHBondContact O-N 2.92Å
244K61.2Low79.8Confident162 Ų16270 Ų7070%0.70434%0.336SS*.G310 helixtrans-66.3-24.2-179.8-61.5179.2-174167.90113.4D241 S242D241-K244 HydrophobicContact CB-CD 4.1Å; D241-K244 WeakPolarHBondContact O-CB 3.45Å; D241-K244 PolarHBondContact O-N 3.08Å; S242-K244 PolarHBondContact O-N 3.07Å
245Y64.3Low80Confident94 Ų9470.4 Ų70.437%0.36934%0.336SS..G310 helixtrans-108.511.7-177.1-58.1-79.4000112S242 E243 E247 E248 N249S242-Y245 PolarHBondContact O-N 3.26Å; S242-Y245 VanDerWaalsContact O-N 3.14Å; E243-Y245 PolarHBondContact O-N 3.44Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-E247 PolarHBondContact O-N 2.98Å; Y245-E248 WeakPolarHBondContact O-CB 3.39Å; Y245-E248 PolarHBondContact O-N 3.45Å; Y245-N249 VanDerWaalsContact O-CG 3.24Å; Y245-N249 PolarHBondContact O-N 2.83Å; Y245-N249 PolarHBondContact O-ND2 3.08Å
246A69Low80.2Confident17 Ų1774.9 Ų74.914%0.1436%0.358CS..Hα-helixtrans-59-39.5-17200000114F13 S242 E243 E248 N249 Y250F13-A246 HydrophobicContact CD1-CB 4.47Å; F13-A246 HydrophobicContact CE1-CB 3.24Å; F13-A246 HydrophobicContact CE2-CB 4.43Å; F13-A246 HydrophobicContact CZ-CB 3.21Å; S242-A246 PolarHBondContact O-N 3.37Å; E243-A246 WeakPolarHBondContact O-CB 3.46Å; E243-A246 PolarHBondContact O-N 2.92Å; A246-E248 PolarHBondContact O-N 3.12Å; A246-N249 PolarHBondContact O-N 2.73Å; A246-Y250 WeakPolarHBondContact O-CD1 3.2Å
247E70.5Confident80.7Confident98 Ų9874.4 Ų74.446%0.45835%0.354SS..Hα-helixtrans-63.5-28.6178.4-63.3-167.6170.400113.1K93 Y245K93-E247 PolarHBondContact NZ-O 2.76Å; K93-E247 VanDerWaalsContact NZ-O 3.11Å; Y245-E247 VanDerWaalsContact C-N 3.33Å; Y245-E247 PolarHBondContact O-N 2.98Å
248E78.1Confident81.4Confident62 Ų6273.6 Ų73.629%0.2935%0.35SS..Hα-helixtrans-80.2-29.4173.3-63.2-178.3169.900112V91 N94 V97 Y245 A246 Y250V91-E248 HydrophobicContact CG1-CG 3.59Å; N94-E248 HydrophobicContact CB-CB 4.36Å; N94-E248 WeakPolarHBondContact CB-O 3.29Å; N94-E248 PolarHBondContact N-O 3.19Å; V97-E248 WeakPolarHBondContact CG2-O 3.47Å; Y245-E248 WeakPolarHBondContact O-CB 3.39Å; Y245-E248 PolarHBondContact O-N 3.45Å; A246-E248 PolarHBondContact O-N 3.12Å; E248-Y250 PolarHBondContact O-N 3.12Å
249N86.3Confident82.4Confident6 Ų672.5 Ų72.53%0.03233%0.331CS..Hα-helixtrans-82.8-3.1-171.6-73.9-24.5000115.5N94 V97 Y235 Y245 A246N94-N249 PolarHBondContact ND2-OD1 2.67Å; V97-N249 WeakPolarHBondContact CG1-O 3.35Å; Y235-N249 PolarHBondContact N-O 2.93Å; Y245-N249 VanDerWaalsContact O-CG 3.24Å; Y245-N249 PolarHBondContact O-N 2.83Å; Y245-N249 PolarHBondContact O-ND2 3.08Å; A246-N249 PolarHBondContact O-N 2.73Å
250Y89.2Confident83.4Confident47 Ų4765.4 Ų65.418%0.18431%0.305CS..EExtended strand (participates in β ladder)trans-120.5153.4176.484.3-85.6000114.2L18 L21 K93 V233 A246 E248 T252L18-Y250 HydrophobicContact CD2-CE2 4.44Å; L21-Y250 HydrophobicContact CD1-CE1 4.2Å; L21-Y250 VanDerWaalsContact CD1-OH 3.3Å; L21-Y250 WeakPolarHBondContact CD1-OH 3.42Å; K93-Y250 PolarHBondContact NZ-O 2.86Å; V233-Y250 CarbonylContact O-C 3.56Å; V233-Y250 VanDerWaalsContact O-CA 3.31Å; V233-Y250 WeakPolarHBondContact O-CA 3.21Å; A246-Y250 WeakPolarHBondContact O-CD1 3.2Å; E248-Y250 PolarHBondContact O-N 3.12Å; Y250-T252 VanDerWaalsContact CE2-OG1 3.24Å; Y250-T252 WeakPolarHBondContact CE2-OG1 3.44Å
251K93.8Very high85Confident51 Ų5155.1 Ų55.122%0.22226%0.26CS..EExtended strand (participates in β ladder)trans-132.7124.5168.6-170.8169.7177.4-177.10110.3V97 A98 I100 V233 F253V97-K251 HydrophobicContact CB-CB 4.15Å; V97-K251 HydrophobicContact CG2-CB 4.48Å; V97-K251 WeakPolarHBondContact O-CD 3.36Å; A98-K251 PolarHBondContact O-NZ 2.8Å; I100-K251 WeakPolarHBondContact O-CE 3.32Å; I100-K251 PolarHBondContact O-NZ 3.02Å; V233-K251 PolarHBondContact N-O 3.03Å; V233-K251 PolarHBondContact O-N 2.67Å; K251-F253 HydrophobicContact CB-CE2 4.01Å; K251-F253 HydrophobicContact CB-CZ 4.28Å; K251-F253 HydrophobicContact CD-CE1 4.2Å; K251-F253 HydrophobicContact CD-CE2 4.17Å; K251-F253 HydrophobicContact CD-CZ 3.57Å; K251-F253 HydrophobicContact CG-CE1 4.36Å; K251-F253 HydrophobicContact CG-CE2 3.76Å; K251-F253 HydrophobicContact CG-CZ 3.66Å; K251-F253 WeakPolarHBondContact O-CE2 3.4Å
252T95.8Very high86.6Confident43 Ų4352.3 Ų52.326%0.26425%0.245SC..EExtended strand (participates in β ladder)trans-95.1141.9176.3-52.10000110.3R230 F231 H232 Y250 V254R230-T252 HydrophobicContact CB-CG2 3.81Å; R230-T252 HydrophobicContact CG-CG2 4.45Å; F231-T252 CarbonylContact O-C 3.57Å; F231-T252 WeakPolarHBondContact O-CA 3.45Å; H232-T252 VanDerWaalsContact CE1-CG2 3.4Å; H232-T252 WeakPolarHBondContact CE1-CG2 3.32Å; H232-T252 PolarHBondContact CE1-OG1 2.83Å; H232-T252 PolarHBondContact ND1-OG1 2.87Å; Y250-T252 VanDerWaalsContact CE2-OG1 3.24Å; Y250-T252 WeakPolarHBondContact CE2-OG1 3.44Å; T252-V254 HydrophobicContact CG2-CG2 4.08Å
253F97.6Very high88.2Confident27 Ų2751.3 Ų51.312%0.11824%0.238CC..EExtended strand (participates in β ladder)trans-124.3132.7175-57.4-95000107.9I100 V102 F231 V233 K251 F255I100-F253 HydrophobicContact CB-CZ 4.31Å; I100-F253 HydrophobicContact CG2-CE2 4.44Å; I100-F253 HydrophobicContact CG2-CZ 3.95Å; I100-F253 WeakPolarHBondContact O-CZ 3.5Å; V102-F253 HydrophobicContact CB-CD1 3.74Å; V102-F253 HydrophobicContact CB-CD2 4.41Å; V102-F253 HydrophobicContact CB-CE1 3.97Å; V102-F253 HydrophobicContact CB-CG 3.97Å; V102-F253 HydrophobicContact CB-CZ 4.4Å; V102-F253 HydrophobicContact CG2-CD1 3.69Å; V102-F253 HydrophobicContact CG2-CD2 3.7Å; V102-F253 HydrophobicContact CG2-CE1 3.55Å; V102-F253 HydrophobicContact CG2-CE2 3.57Å; V102-F253 HydrophobicContact CG2-CG 3.76Å; V102-F253 HydrophobicContact CG2-CZ 3.49Å; V102-F253 VanDerWaalsContact CG2-CZ 3.49Å; F231-F253 HydrophobicContact CD1-CB 4.23Å; F231-F253 AromaticContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CD2 3.92Å; F231-F253 HydrophobicContact CD1-CG 4.36Å; F231-F253 HydrophobicContact CE1-CD2 4.35Å; F231-F253 PolarHBondContact N-O 2.91Å; F231-F253 PolarHBondContact O-N 2.93Å; V233-F253 HydrophobicContact CB-CE2 4.28Å; V233-F253 HydrophobicContact CG2-CD2 4.21Å; V233-F253 HydrophobicContact CG2-CE2 3.67Å; K251-F253 HydrophobicContact CB-CE2 4.01Å; K251-F253 HydrophobicContact CB-CZ 4.28Å; K251-F253 HydrophobicContact CD-CE1 4.2Å; K251-F253 HydrophobicContact CD-CE2 4.17Å; K251-F253 HydrophobicContact CD-CZ 3.57Å; K251-F253 HydrophobicContact CG-CE1 4.36Å; K251-F253 HydrophobicContact CG-CE2 3.76Å; K251-F253 HydrophobicContact CG-CZ 3.66Å; K251-F253 WeakPolarHBondContact O-CE2 3.4Å; F253-F255 HydrophobicContact CB-CE2 4.23Å
254V98.1Very high89.9Confident77 Ų7749 Ų4947%0.46723%0.232SC..EExtended strand (participates in β ladder)trans-127.9126.6-177.5-1740000107.5Q228 R230 T252Q228-V254 HydrophobicContact CG-CG1 3.57Å; R230-V254 HydrophobicContact CB-CG2 4.32Å; R230-V254 HydrophobicContact CG-CG2 4.06Å; T252-V254 HydrophobicContact CG2-CG2 4.08Å
255F98.2Very high91.6Very high30 Ų3042.5 Ų42.513%0.13221%0.209CC..  trans-112.6106.6-179.2-66.7-71.8000107.9V102 L104 F133 V135 Q228 F253 E257 T258V102-F255 HydrophobicContact CB-CZ 4.31Å; V102-F255 HydrophobicContact CG1-CE2 4.18Å; V102-F255 HydrophobicContact CG1-CZ 3.96Å; L104-F255 HydrophobicContact CB-CD1 3.84Å; L104-F255 HydrophobicContact CB-CD2 4.42Å; L104-F255 HydrophobicContact CB-CE1 3.88Å; L104-F255 HydrophobicContact CB-CE2 4.45Å; L104-F255 HydrophobicContact CB-CG 4.13Å; L104-F255 HydrophobicContact CB-CZ 4.19Å; L104-F255 HydrophobicContact CD1-CD2 4.38Å; L104-F255 HydrophobicContact CD2-CB 4.15Å; L104-F255 HydrophobicContact CD2-CD1 4.44Å; L104-F255 HydrophobicContact CD2-CG 4.27Å; F133-F255 HydrophobicContact CE2-CD2 4.06Å; F133-F255 AromaticContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CD2 3.79Å; F133-F255 HydrophobicContact CZ-CE2 4.12Å; V135-F255 HydrophobicContact CG1-CE2 4.09Å; Q228-F255 PolarHBondContact NE2-O 2.78Å; F253-F255 HydrophobicContact CB-CE2 4.23Å; F255-E257 WeakPolarHBondContact CA-OE2 3.41Å; F255-E257 WeakPolarHBondContact CB-OE2 3.43Å; F255-E257 PolarHBondContact O-N 3.05Å; F255-T258 HydrophobicContact CB-CG2 3.88Å; F255-T258 PolarHBondContact O-N 3.08Å; F255-T258 PolarHBondContact O-OG1 2.84Å
256E98.1Very high93.2Very high127 Ų12739.5 Ų39.559%0.59320%0.197SC*.G310 helixtrans-63.7-21.8-172.3-94-160.2-117.400114T258 R259E256-T258 VanDerWaalsContact C-N 3.33Å; E256-R259 VanDerWaalsContact CB-NH2 3.31Å; E256-R259 VanDerWaalsContact O-CZ 3.29Å; E256-R259 PolarHBondContact O-NE 3.41Å; E256-R259 PolarHBondContact O-NH2 3.26Å; E256-R259 IonicContact OE2-CZ 3.7Å; E256-R259 IonicContact OE2-NH1 3.31Å; E256-R259 IonicContact OE2-NH2 2.76Å; E256-R259 PolarHBondContact OE2-NH2 3.27Å
257E97.8Very high94.6Very high21 Ų2140.6 Ų40.610%0.09820%0.199CC..G310 helixtrans-76.3-17.3172.164.1-88.3-112.200113.3L104 K107 W110 D111 N114 F255 R259L104-E257 HydrophobicContact CD2-CG 3.61Å; K107-E257 WeakPolarHBondContact CE-OE1 3.34Å; K107-E257 WeakPolarHBondContact CG-OE1 3.35Å; K107-E257 IonicContact NZ-OE1 3.3Å; K107-E257 PolarHBondContact NZ-OE1 3.42Å; W110-E257 HydrophobicContact CB-CB 4.35Å; W110-E257 HydrophobicContact CB-CG 3.88Å; D111-E257 WeakPolarHBondContact OD1-CB 3.41Å; N114-E257 HydrophobicContact CB-CB 4.41Å; F255-E257 WeakPolarHBondContact CA-OE2 3.41Å; F255-E257 WeakPolarHBondContact CB-OE2 3.43Å; F255-E257 PolarHBondContact O-N 3.05Å; E257-R259 VanDerWaalsContact C-N 3.34Å
258T98.5Very high95.9Very high0 Ų036.6 Ų36.60%018%0.181CC..G310 helixtrans-87.50.1-179.566.30000114.1L104 W110 F133 Q228 P229 F255 E256L104-T258 HydrophobicContact CD1-CG2 3.99Å; L104-T258 HydrophobicContact CD2-CG2 3.68Å; W110-T258 HydrophobicContact CD2-CG2 3.69Å; W110-T258 HydrophobicContact CE3-CG2 3.79Å; W110-T258 HydrophobicContact CG-CG2 4.18Å; W110-T258 HydrophobicContact CH2-CG2 4.25Å; W110-T258 HydrophobicContact CZ2-CG2 4.18Å; W110-T258 HydrophobicContact CZ3-CG2 4.06Å; F133-T258 HydrophobicContact CD2-CG2 4.09Å; F133-T258 HydrophobicContact CE2-CG2 3.98Å; Q228-T258 PolarHBondContact NE2-OG1 3.1Å; P229-T258 WeakPolarHBondContact CD-O 3.13Å; P229-T258 WeakPolarHBondContact CG-O 3.42Å; F255-T258 HydrophobicContact CB-CG2 3.88Å; F255-T258 PolarHBondContact O-N 3.08Å; F255-T258 PolarHBondContact O-OG1 2.84Å; E256-T258 VanDerWaalsContact C-N 3.33Å
259R98.3Very high96.7Very high88 Ų8838.8 Ų38.833%0.33219%0.191SC..  trans-62.2145.3174.488.1-174.581.1-167.67.6110.9T118 Y227 E256 E257T118-R259 VanDerWaalsContact CB-O 3.32Å; T118-R259 WeakPolarHBondContact CB-O 3.22Å; T118-R259 PolarHBondContact OG1-O 3.19Å; Y227-R259 WeakPolarHBondContact O-CA 3.25Å; E256-R259 VanDerWaalsContact CB-NH2 3.31Å; E256-R259 VanDerWaalsContact O-CZ 3.29Å; E256-R259 PolarHBondContact O-NE 3.41Å; E256-R259 PolarHBondContact O-NH2 3.26Å; E256-R259 IonicContact OE2-CZ 3.7Å; E256-R259 IonicContact OE2-NH1 3.31Å; E256-R259 IonicContact OE2-NH2 2.76Å; E256-R259 PolarHBondContact OE2-NH2 3.27Å; E257-R259 VanDerWaalsContact C-N 3.34Å
260F98.8Very high97.3Very high5 Ų545.1 Ų45.12%0.02221%0.214CC..EExtended strand (participates in β ladder)trans-150.6164.7-178.967.5-85.4000113T118 M120 F152 L208 L221 R226 Y227 P229 A262T118-F260 HydrophobicContact CG2-CB 3.67Å; T118-F260 CarbonylContact O-C 3.55Å; T118-F260 VanDerWaalsContact O-CA 3.23Å; T118-F260 WeakPolarHBondContact O-CA 3.44Å; T118-F260 WeakPolarHBondContact O-CB 3.2Å; M120-F260 HydrophobicContact CB-CD2 3.49Å; M120-F260 VanDerWaalsContact CB-CD2 3.49Å; M120-F260 HydrophobicContact CB-CE2 3.72Å; M120-F260 HydrophobicContact CB-CG 4.2Å; M120-F260 HydrophobicContact CG-CB 3.94Å; M120-F260 HydrophobicContact CG-CD1 4.14Å; M120-F260 HydrophobicContact CG-CD2 3.37Å; M120-F260 HydrophobicContact CG-CE2 3.84Å; M120-F260 HydrophobicContact CG-CG 3.54Å; M120-F260 HydrophobicContact CG-CZ 4.4Å; F152-F260 AromaticContact CD1-CE1 3.72Å; F152-F260 HydrophobicContact CD1-CE1 3.72Å; F152-F260 AromaticContact CD1-CZ 3.84Å; F152-F260 HydrophobicContact CD1-CZ 3.84Å; F152-F260 AromaticContact CE1-CE1 3.73Å; F152-F260 HydrophobicContact CE1-CE1 3.73Å; F152-F260 AromaticContact CE1-CZ 3.96Å; F152-F260 HydrophobicContact CE1-CZ 3.96Å; L208-F260 HydrophobicContact CD1-CE2 3.95Å; L208-F260 HydrophobicContact CD1-CZ 3.84Å; L221-F260 HydrophobicContact CD1-CE2 3.84Å; L221-F260 HydrophobicContact CD1-CZ 3.68Å; R226-F260 CarbonylContact C-O 3.57Å; R226-F260 WeakPolarHBondContact CA-O 3.26Å; Y227-F260 HydrophobicContact CD2-CE2 4.42Å; Y227-F260 PolarHBondContact N-O 2.81Å; Y227-F260 PolarHBondContact O-N 3.27Å; P229-F260 HydrophobicContact CG-CD1 4.2Å; P229-F260 HydrophobicContact CG-CE1 3.96Å; F260-A262 HydrophobicContact CE2-CB 4.17Å
261T98.6Very high97.7Very high5 Ų542.9 Ų42.93%0.03121%0.206CC..EExtended strand (participates in β ladder)trans-99.4125.6166.4-46.50000109.2T118 E119 M120 W169 H225 R226 V263T118-T261 PolarHBondContact O-N 2.96Å; E119-T261 WeakPolarHBondContact CA-O 3.48Å; M120-T261 PolarHBondContact N-O 3.23Å; M120-T261 VanDerWaalsContact N-O 3.08Å; W169-T261 HydrophobicContact CH2-CG2 3.69Å; W169-T261 HydrophobicContact CZ2-CG2 4.16Å; W169-T261 HydrophobicContact CZ3-CG2 3.92Å; H225-T261 WeakPolarHBondContact O-CA 3.45Å; R226-T261 HydrophobicContact CG-CG2 4.45Å; T261-V263 HydrophobicContact CG2-CG1 4.34Å
262A98.4Very high97.8Very high0 Ų041.5 Ų41.50%020%0.202CC..EExtended strand (participates in β ladder)trans-73.5132.8173.300000109.5V122 L221 M224 H225 Y227 F260V122-A262 HydrophobicContact CG1-CB 4.08Å; L221-A262 HydrophobicContact CB-CB 4.24Å; L221-A262 HydrophobicContact CD1-CB 4.27Å; M224-A262 WeakPolarHBondContact CA-O 3.48Å; M224-A262 PolarHBondContact N-O 3.24Å; H225-A262 PolarHBondContact O-N 2.99Å; Y227-A262 HydrophobicContact CD2-CB 3.98Å; Y227-A262 HydrophobicContact CE2-CB 3.96Å; F260-A262 HydrophobicContact CE2-CB 4.17Å
263V98.7Very high97.9Very high0 Ų045.1 Ų45.10%022%0.216CC..EExtended strand (participates in β ladder)trans-141.8153.4-177.4-61.70000111.3E119 M120 I121 V122 W169 M224 T261 A265 Y266 Q267E119-V263 HydrophobicContact CB-CG2 4.03Å; M120-V263 PolarHBondContact O-N 3.24Å; I121-V263 CarbonylContact C-O 3.51Å; I121-V263 VanDerWaalsContact CA-O 3.25Å; I121-V263 WeakPolarHBondContact CA-O 3.25Å; I121-V263 HydrophobicContact CD1-CG2 3.89Å; V122-V263 WeakPolarHBondContact CG2-O 3.43Å; V122-V263 PolarHBondContact N-O 2.84Å; W169-V263 HydrophobicContact CH2-CG1 3.91Å; W169-V263 HydrophobicContact CZ2-CG1 4.45Å; M224-V263 HydrophobicContact SD-CG1 4.03Å; T261-V263 HydrophobicContact CG2-CG1 4.34Å; V263-A265 WeakPolarHBondContact CB-O 3.36Å; V263-A265 WeakPolarHBondContact CG2-O 3.42Å; V263-Y266 HydrophobicContact CG2-CD1 4.47Å; V263-Q267 HydrophobicContact CG1-CG 4.2Å
264T98.2Very high97.8Very high69 Ų6945.1 Ų45.142%0.42322%0.217SC..SBendtrans-87.3-19.4174.541.30000113.5V122 S223V122-T264 HydrophobicContact CG2-CG2 4.21Å; S223-T264 PolarHBondContact OG-N 3.11Å
265A97.9Very high97.8Very high25 Ų2541.8 Ų41.821%0.20720%0.196CC..SBendtrans-153152.4170.900000108.3V263 Q267V263-A265 WeakPolarHBondContact CB-O 3.36Å; V263-A265 WeakPolarHBondContact CG2-O 3.42Å; A265-Q267 PolarHBondContact O-NE2 3.3Å
266Y98.4Very high97.7Very high31 Ų3141.8 Ų41.812%0.12220%0.197CC..  trans-65.7139.9-177-65.4-59.3000112.1E119 I121 V263 I271 T272 K275 S354 L357E119-Y266 HydrophobicContact CB-CD1 3.98Å; E119-Y266 HydrophobicContact CB-CE1 4.28Å; E119-Y266 VanDerWaalsContact OE2-CA 3.22Å; E119-Y266 WeakPolarHBondContact OE2-CA 3.47Å; I121-Y266 HydrophobicContact CD1-CD1 3.7Å; I121-Y266 HydrophobicContact CD1-CD2 4.05Å; I121-Y266 HydrophobicContact CD1-CE1 3.68Å; I121-Y266 HydrophobicContact CD1-CE2 4.04Å; I121-Y266 HydrophobicContact CD1-CG 3.88Å; I121-Y266 HydrophobicContact CG1-CD1 4.27Å; I121-Y266 HydrophobicContact CG1-CD2 4.47Å; I121-Y266 HydrophobicContact CG1-CE1 3.71Å; I121-Y266 HydrophobicContact CG1-CE2 3.95Å; V263-Y266 HydrophobicContact CG2-CD1 4.47Å; Y266-I271 HydrophobicContact CD1-CG2 4.16Å; Y266-I271 HydrophobicContact CE1-CG2 4.26Å; Y266-T272 VanDerWaalsContact CB-OG1 3.22Å; Y266-T272 WeakPolarHBondContact CB-OG1 3.33Å; Y266-T272 HydrophobicContact CD2-CG2 4.15Å; Y266-K275 HydrophobicContact CE1-CD 4.4Å; Y266-K275 HydrophobicContact CE1-CG 4.16Å; Y266-K275 HydrophobicContact CE2-CG 4.26Å; Y266-K275 WeakPolarHBondContact OH-CD 3.35Å; Y266-K275 WeakPolarHBondContact OH-CE 3.35Å; Y266-K275 WeakPolarHBondContact OH-CG 3.32Å; Y266-S354 PolarHBondContact O-OG 2.97Å; Y266-L357 HydrophobicContact CD2-CD1 4.3Å; Y266-L357 HydrophobicContact CE2-CD1 4.28Å
267Q98.1Very high97.6Very high41 Ų4138.5 Ų38.519%0.19219%0.191CC..  trans-102-53.3-178.7-51.3-64.1-74.200111.1E119 Y162 F164 W169 M224 V263 A265 H269E119-Q267 PolarHBondContact OE2-N 2.88Å; Y162-Q267 HydrophobicContact CD1-CB 3.87Å; Y162-Q267 HydrophobicContact CD2-CB 4.19Å; Y162-Q267 HydrophobicContact CG-CB 3.65Å; F164-Q267 WeakPolarHBondContact CE1-O 3.18Å; W169-Q267 HydrophobicContact CH2-CB 4.33Å; W169-Q267 HydrophobicContact CH2-CG 3.82Å; W169-Q267 HydrophobicContact CZ2-CB 4.24Å; W169-Q267 HydrophobicContact CZ2-CG 4.19Å; M224-Q267 HydrophobicContact CE-CG 4.33Å; V263-Q267 HydrophobicContact CG1-CG 4.2Å; A265-Q267 PolarHBondContact O-NE2 3.3Å; Q267-H269 PolarHBondContact O-N 3.19Å
268N97.1Very high97.4Very high13 Ų1339.5 Ų39.57%0.0720%0.2CC..  trans-80.9112.3175.4-176.9-2.6000110.6L116 E119 Y162 R270 I271 T272L116-N268 PolarHBondContact O-ND2 2.97Å; E119-N268 VanDerWaalsContact OE1-CB 3.32Å; E119-N268 WeakPolarHBondContact OE1-CB 3.44Å; E119-N268 PolarHBondContact OE1-N 2.94Å; Y162-N268 HydrophobicContact CE2-CB 4.03Å; N268-R270 PolarHBondContact O-N 3.08Å; N268-R270 VanDerWaalsContact O-N 3.16Å; N268-R270 WeakPolarHBondContact OD1-CB 3.44Å; N268-R270 PolarHBondContact OD1-N 3.26Å; N268-I271 HydrophobicContact CB-CB 4.35Å; N268-I271 HydrophobicContact CB-CG1 3.87Å; N268-I271 WeakPolarHBondContact O-CB 3.35Å; N268-I271 PolarHBondContact O-N 3.32Å; N268-T272 PolarHBondContact O-N 3.42Å
269H96.1Very high97.2Very high108 Ų10841 Ų4150%0.521%0.208SC..Hα-helixtrans-59.4-28179.267.6-97.3000113.2Q267 I271 T272 Q273Q267-H269 PolarHBondContact O-N 3.19Å; H269-I271 VanDerWaalsContact C-N 3.33Å; H269-T272 WeakPolarHBondContact O-CB 3.37Å; H269-T272 PolarHBondContact O-N 2.83Å; H269-T272 VanDerWaalsContact O-N 3.16Å; H269-Q273 WeakPolarHBondContact O-CG 3.47Å; H269-Q273 PolarHBondContact O-N 3.43Å
270R97.1Very high96.9Very high139 Ų13941.2 Ų41.253%0.52522%0.222SC..Hα-helixtrans-67.7-34176.3-58.4-178.764.8-166.3-1.2111.7L116 N268 L274L116-R270 HydrophobicContact CD1-CB 4.13Å; L116-R270 HydrophobicContact CD2-CB 4.23Å; L116-R270 VanDerWaalsContact CD2-CZ 3.49Å; N268-R270 PolarHBondContact O-N 3.08Å; N268-R270 VanDerWaalsContact O-N 3.16Å; N268-R270 WeakPolarHBondContact OD1-CB 3.44Å; N268-R270 PolarHBondContact OD1-N 3.26Å; R270-L274 PolarHBondContact O-N 2.93Å
271I97.7Very high96.5Very high0 Ų050.2 Ų50.20%026%0.261CS..Hα-helixtrans-62.8-49.5169.4-63.8-73.6000108.9F113 L116 E119 Y266 N268 H269 Q273 L274 K275F113-I271 HydrophobicContact CD1-CD1 3.89Å; F113-I271 HydrophobicContact CD1-CG2 4.34Å; F113-I271 HydrophobicContact CE1-CG2 4.2Å; L116-I271 HydrophobicContact CB-CD1 3.44Å; L116-I271 VanDerWaalsContact CB-CD1 3.44Å; L116-I271 HydrophobicContact CB-CG1 4.17Å; L116-I271 HydrophobicContact CD1-CD1 4.41Å; E119-I271 HydrophobicContact CB-CG2 4.09Å; E119-I271 HydrophobicContact CG-CG1 4.33Å; E119-I271 HydrophobicContact CG-CG2 4.42Å; Y266-I271 HydrophobicContact CD1-CG2 4.16Å; Y266-I271 HydrophobicContact CE1-CG2 4.26Å; N268-I271 HydrophobicContact CB-CB 4.35Å; N268-I271 HydrophobicContact CB-CG1 3.87Å; N268-I271 WeakPolarHBondContact O-CB 3.35Å; N268-I271 PolarHBondContact O-N 3.32Å; H269-I271 VanDerWaalsContact C-N 3.33Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.78Å; I271-L274 PolarHBondContact O-N 3.49Å; I271-L274 VanDerWaalsContact O-N 3.14Å; I271-K275 HydrophobicContact CG2-CD 4.46Å; I271-K275 HydrophobicContact CG2-CG 4.04Å; I271-K275 VanDerWaalsContact O-CG 3.24Å; I271-K275 WeakPolarHBondContact O-CG 3.4Å; I271-K275 PolarHBondContact O-N 3.41Å
272T96.8Very high96.2Very high23 Ų2350.6 Ų50.614%0.14127%0.265CS..Hα-helixtrans-55.2-45.7178.8-500000112.3Y266 N268 H269 K275 I276 L357Y266-T272 VanDerWaalsContact CB-OG1 3.22Å; Y266-T272 WeakPolarHBondContact CB-OG1 3.33Å; Y266-T272 HydrophobicContact CD2-CG2 4.15Å; N268-T272 PolarHBondContact O-N 3.42Å; H269-T272 WeakPolarHBondContact O-CB 3.37Å; H269-T272 PolarHBondContact O-N 2.83Å; H269-T272 VanDerWaalsContact O-N 3.16Å; T272-K275 PolarHBondContact O-N 3Å; T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 WeakPolarHBondContact O-CG1 3.13Å; T272-I276 PolarHBondContact O-N 3.1Å; T272-L357 HydrophobicContact CG2-CD1 3.79Å
273Q96.6Very high95.7Very high119 Ų11956.8 Ų56.856%0.55629%0.292SS*.Hα-helixtrans-58.9-48.6175.4-72.8167.2-24.200111.7H269 I271 K275 I276 A277H269-Q273 WeakPolarHBondContact O-CG 3.47Å; H269-Q273 PolarHBondContact O-N 3.43Å; I271-Q273 VanDerWaalsContact C-N 3.33Å; I271-Q273 PolarHBondContact O-N 2.78Å; Q273-K275 VanDerWaalsContact C-N 3.35Å; Q273-K275 PolarHBondContact O-N 2.83Å; Q273-I276 PolarHBondContact O-N 3.35Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; Q273-A277 WeakPolarHBondContact O-CB 3.37Å; Q273-A277 PolarHBondContact O-N 3.16Å
274L97.3Very high95.2Very high27 Ų2760 Ų6014%0.14133%0.325CS..Hα-helixtrans-66-34.7178.2-171.961.2000112.4L109 E112 F113 L116 R270 I271 S278L109-L274 HydrophobicContact CD1-CD1 4.48Å; E112-L274 HydrophobicContact CB-CD2 3.93Å; F113-L274 HydrophobicContact CD1-CD2 3.73Å; F113-L274 HydrophobicContact CD1-CG 4.29Å; F113-L274 HydrophobicContact CD2-CD2 4.13Å; F113-L274 HydrophobicContact CE1-CB 3.81Å; F113-L274 HydrophobicContact CE1-CD2 3.68Å; F113-L274 HydrophobicContact CE1-CG 3.7Å; F113-L274 HydrophobicContact CE2-CD2 4.1Å; F113-L274 HydrophobicContact CE2-CG 4.06Å; F113-L274 HydrophobicContact CG-CD2 3.94Å; F113-L274 HydrophobicContact CZ-CB 4.02Å; F113-L274 HydrophobicContact CZ-CD2 3.86Å; F113-L274 HydrophobicContact CZ-CG 3.56Å; L116-L274 HydrophobicContact CD1-CD2 3.99Å; R270-L274 PolarHBondContact O-N 2.93Å; I271-L274 PolarHBondContact O-N 3.49Å; I271-L274 VanDerWaalsContact O-N 3.14Å; L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.47Å; L274-S278 PolarHBondContact O-N 2.87Å; L274-S278 PolarHBondContact O-OG 2.83Å
275K97.4Very high94.8Very high6 Ų661.1 Ų61.13%0.02632%0.324CS..Hα-helixtrans-62.6-42.4170.9-60.2-73.6-172.2-150.20110.8F113 E119 F130 Y266 I271 T272 Q273 N279F113-K275 HydrophobicContact CE1-CD 3.57Å; F113-K275 HydrophobicContact CE1-CG 3.89Å; F113-K275 HydrophobicContact CZ-CD 3.62Å; F113-K275 HydrophobicContact CZ-CG 4.12Å; E119-K275 WeakPolarHBondContact O-CE 3.36Å; E119-K275 PolarHBondContact O-NZ 3.37Å; F130-K275 HydrophobicContact CD1-CD 3.83Å; F130-K275 PolarHBondContact O-NZ 3.26Å; Y266-K275 HydrophobicContact CE1-CD 4.4Å; Y266-K275 HydrophobicContact CE1-CG 4.16Å; Y266-K275 HydrophobicContact CE2-CG 4.26Å; Y266-K275 WeakPolarHBondContact OH-CD 3.35Å; Y266-K275 WeakPolarHBondContact OH-CE 3.35Å; Y266-K275 WeakPolarHBondContact OH-CG 3.32Å; I271-K275 HydrophobicContact CG2-CD 4.46Å; I271-K275 HydrophobicContact CG2-CG 4.04Å; I271-K275 VanDerWaalsContact O-CG 3.24Å; I271-K275 WeakPolarHBondContact O-CG 3.4Å; I271-K275 PolarHBondContact O-N 3.41Å; T272-K275 PolarHBondContact O-N 3Å; Q273-K275 VanDerWaalsContact C-N 3.35Å; Q273-K275 PolarHBondContact O-N 2.83Å; K275-N279 WeakPolarHBondContact O-CB 3.41Å; K275-N279 PolarHBondContact O-N 3.34Å
276I95.6Very high94.3Very high31 Ų3164.8 Ų64.816%0.15933%0.332CS..Hα-helixtrans-67.4-47.4179.8-72.8166.8000111.3T272 Q273 A282 F285 R286T272-I276 HydrophobicContact CG2-CD1 4Å; T272-I276 WeakPolarHBondContact O-CG1 3.13Å; T272-I276 PolarHBondContact O-N 3.1Å; Q273-I276 PolarHBondContact O-N 3.35Å; Q273-I276 VanDerWaalsContact O-N 3.13Å; I276-A282 HydrophobicContact CG1-CB 4.4Å; I276-F285 HydrophobicContact CD1-CB 4.04Å; I276-F285 HydrophobicContact CG1-CB 4.15Å; I276-F285 HydrophobicContact CG2-CB 3.96Å; I276-R286 HydrophobicContact CG2-CB 4.41Å; I276-R286 HydrophobicContact CG2-CG 3.67Å; I276-R286 PolarHBondContact O-NE 2.96Å; I276-R286 PolarHBondContact O-NH2 2.82Å
277A95.4Very high93.2Very high57 Ų5769.5 Ų69.547%0.47136%0.359SS..Hα-helixtrans-64.8-40.118000000112.9Q273 R286Q273-A277 WeakPolarHBondContact O-CB 3.37Å; Q273-A277 PolarHBondContact O-N 3.16Å; A277-R286 PolarHBondContact O-NE 3.11Å; A277-R286 PolarHBondContact O-NH1 3.43Å; A277-R286 PolarHBondContact O-NH2 3.44Å
278S94.8Very high91.3Very high42 Ų4271.6 Ų71.629%0.29438%0.378SS..Hα-helixtrans-95.2-27.8-173-55.40000114.2L274 P280L274-S278 VanDerWaalsContact O-CB 3.28Å; L274-S278 WeakPolarHBondContact O-CB 3.47Å; L274-S278 PolarHBondContact O-N 2.87Å; L274-S278 PolarHBondContact O-OG 2.83Å; S278-P280 WeakPolarHBondContact O-CD 3.43Å
279N93.9Very high89.2Confident31 Ų3176.4 Ų76.417%0.16640%0.404CS..  trans-84.6122.6-178-170.9-18.1000111.8F130 K275 F281 A282 R286F130-N279 HydrophobicContact CD1-CB 4.14Å; F130-N279 HydrophobicContact CD2-CB 3.96Å; F130-N279 HydrophobicContact CE1-CB 3.88Å; F130-N279 HydrophobicContact CE2-CB 3.7Å; F130-N279 HydrophobicContact CG-CB 4.18Å; F130-N279 VanDerWaalsContact CZ-CA 3.48Å; F130-N279 HydrophobicContact CZ-CB 3.67Å; K275-N279 WeakPolarHBondContact O-CB 3.41Å; K275-N279 PolarHBondContact O-N 3.34Å; N279-F281 VanDerWaalsContact C-N 3.27Å; N279-F281 PolarHBondContact O-N 3.13Å; N279-F281 WeakPolarHBondContact OD1-CB 3.39Å; N279-F281 WeakPolarHBondContact OD1-CD2 3.24Å; N279-F281 PolarHBondContact OD1-N 3.1Å; N279-A282 HydrophobicContact CB-CB 4.07Å; N279-A282 PolarHBondContact O-N 3.18Å; N279-A282 VanDerWaalsContact O-N 3.08Å; N279-R286 PolarHBondContact O-NH2 3.44Å
280P92.6Very high87.3Confident94 Ų9476.1 Ų76.161%0.6141%0.411SS*.G310 helixtrans-58.6-35.9175.7-25.235.4000113.6S278 A282 K283S278-P280 WeakPolarHBondContact O-CD 3.43Å; P280-A282 PolarHBondContact O-N 3.29Å; P280-K283 WeakPolarHBondContact O-CB 3.45Å; P280-K283 PolarHBondContact O-N 2.87Å
281F90.5Very high85.1Confident194 Ų19477.2 Ų77.285%0.85142%0.422SS*.G310 helixtrans-72.2-8.3179-60.7-75.3000113.7N279N279-F281 VanDerWaalsContact C-N 3.27Å; N279-F281 PolarHBondContact O-N 3.13Å; N279-F281 WeakPolarHBondContact OD1-CB 3.39Å; N279-F281 WeakPolarHBondContact OD1-CD2 3.24Å; N279-F281 PolarHBondContact OD1-N 3.1Å
282A91Very high82.6Confident13 Ų1383.6 Ų83.611%0.10746%0.457CS..G310 helixtrans-1057.9174.700000113I276 N279 P280 G284 F285I276-A282 HydrophobicContact CG1-CB 4.4Å; N279-A282 HydrophobicContact CB-CB 4.07Å; N279-A282 PolarHBondContact O-N 3.18Å; N279-A282 VanDerWaalsContact O-N 3.08Å; P280-A282 PolarHBondContact O-N 3.29Å; A282-G284 PolarHBondContact O-N 2.87Å; A282-G284 VanDerWaalsContact O-N 3.15Å; A282-F285 PolarHBondContact O-N 2.83Å
283K88.8Confident80.2Confident130 Ų13092 Ų9257%0.56549%0.486SS*.G310 helixtrans-53.1-39.2-175.2-172-175.7175.9-172.90113.4P280 F285 R286P280-K283 WeakPolarHBondContact O-CB 3.45Å; P280-K283 PolarHBondContact O-N 2.87Å; K283-F285 PolarHBondContact O-N 2.86Å; K283-R286 WeakPolarHBondContact O-CB 2.81Å; K283-R286 WeakPolarHBondContact O-CG 3.19Å; K283-R286 PolarHBondContact O-N 3.33Å
284G88.9Confident77.7Confident67 Ų6790 Ų9069%0.69148%0.483SS*.G310 helixtrans-65-1.8-179.800000116.2A282A282-G284 PolarHBondContact O-N 2.87Å; A282-G284 VanDerWaalsContact O-N 3.15Å
285F87.9Confident75.2Confident93 Ų9399.4 Ų99.441%0.40852%0.517SS..G310 helixtrans-1103.7173.8-59.4-76.8000113.3I276 A282 K283 V356 L357I276-F285 HydrophobicContact CD1-CB 4.04Å; I276-F285 HydrophobicContact CG1-CB 4.15Å; I276-F285 HydrophobicContact CG2-CB 3.96Å; A282-F285 PolarHBondContact O-N 2.83Å; K283-F285 PolarHBondContact O-N 2.86Å; F285-V356 HydrophobicContact CE1-CG1 4.23Å; F285-L357 HydrophobicContact CD2-CD2 3.94Å; F285-L357 HydrophobicContact CE1-CD2 4.43Å; F285-L357 HydrophobicContact CE2-CD2 3.61Å; F285-L357 HydrophobicContact CG-CD2 4.48Å; F285-L357 HydrophobicContact CZ-CD2 3.88Å
286R88.9Confident72.6Confident101 Ų101105.9 Ų105.938%0.38155%0.551SS.*SBendtrans-77.6-35.8-178.8-66.8177.8-169.3-169.14.1112.8I276 A277 N279 K283I276-R286 HydrophobicContact CG2-CB 4.41Å; I276-R286 HydrophobicContact CG2-CG 3.67Å; I276-R286 PolarHBondContact O-NE 2.96Å; I276-R286 PolarHBondContact O-NH2 2.82Å; A277-R286 PolarHBondContact O-NE 3.11Å; A277-R286 PolarHBondContact O-NH1 3.43Å; A277-R286 PolarHBondContact O-NH2 3.44Å; N279-R286 PolarHBondContact O-NH2 3.44Å; K283-R286 WeakPolarHBondContact O-CB 2.81Å; K283-R286 WeakPolarHBondContact O-CG 3.19Å; K283-R286 PolarHBondContact O-N 3.33Å
287D73.9Confident70.1Confident130 Ų130111.7 Ų111.770%0.69558%0.578SS**SBendtrans-102.117.9-169.5-42.3-49.1000111.3D289D287-D289 PolarHBondContact O-N 2.98Å
288C57.8Low67.4Low86 Ų86119.7 Ų119.758%0.58160%0.596SS**  trans-89.182.7175.9-63.80000110.4
289D53.1Low64.7Low114 Ų114124.3 Ų124.361%0.6163%0.625SS**  trans-65136.4173.4-139.6-27.2000110.2D287 E291 D292D287-D289 PolarHBondContact O-N 2.98Å; D289-E291 PolarHBondContact O-N 3.21Å; D289-D292 PolarHBondContact O-N 3.33Å; D289-D292 VanDerWaalsContact O-N 3.08Å
290P57.1Low62.3Low102 Ų102126.4 Ų126.466%0.66265%0.654SS**G310 helixtrans-61.2-25-176.6-27.637.6000115.1D292P290-D292 VanDerWaalsContact C-N 3.33Å
291E50.8Low59.6Low161 Ų161127.1 Ų127.175%0.75266%0.661SS**G310 helixtrans-71.7-23.5176.2-76.3-66.1126.100113.4D289 W293D289-E291 PolarHBondContact O-N 3.21Å; E291-W293 PolarHBondContact O-N 3.41Å; E291-W293 VanDerWaalsContact O-N 3.16Å
292D45.7Very low57.1Low135 Ų135125.8 Ų125.872%0.72266%0.662SS**G310 helixtrans-78.56.8-177.3-111.3-26.3000113.4D289 P290 P294D289-D292 PolarHBondContact O-N 3.33Å; D289-D292 VanDerWaalsContact O-N 3.08Å; P290-D292 VanDerWaalsContact C-N 3.33Å; D292-P294 VanDerWaalsContact O-CD 3.22Å; D292-P294 WeakPolarHBondContact O-CD 3.3Å
293W45.7Very low54.6Low199 Ų199130.9 Ų130.975%0.75469%0.694SS**SBendtrans-71.2115171.8-173-88.7000110.9E291 R295E291-W293 PolarHBondContact O-N 3.41Å; E291-W293 VanDerWaalsContact O-N 3.16Å; W293-R295 PolarHBondContact O-N 3.37Å; W293-R295 VanDerWaalsContact O-N 3.13Å
294P43.6Very low52.3Low76 Ų76132.5 Ų132.549%0.49471%0.707SS.*  trans-64.4121.3-173.1-23.235.3000112D292 N296D292-P294 VanDerWaalsContact O-CD 3.22Å; D292-P294 WeakPolarHBondContact O-CD 3.3Å; P294-N296 PolarHBondContact O-N 3.3Å
295R46.5Very low49.8Very low225 Ų225138 Ų13885%0.84972%0.717SS**THydrogen-bonded Turntrans-64.312.1176.9-154.7171.1-69.1-175.80.1114.2W293W293-R295 PolarHBondContact O-N 3.37Å; W293-R295 VanDerWaalsContact O-N 3.13Å
296N43Very low47.2Very low142 Ų142139 Ų13976%0.75974%0.736SS**THydrogen-bonded Turntrans-107.83.5-166.5-75.61.6000115.1P294 R298P294-N296 PolarHBondContact O-N 3.3Å; N296-R298 PolarHBondContact O-N 3.13Å
297H42.5Very low44.7Very low154 Ų154138.2 Ų138.271%0.71375%0.751SS**  trans-82.261.8171.8-76.9-56.7000113.3
298R37.3Very low42.8Very low224 Ų224141.7 Ų141.785%0.84576%0.76SS**  trans-71.4124.9149.1-88.2-170.9176.8-1193.4108.1N296 G300N296-R298 PolarHBondContact O-N 3.13Å; R298-G300 PolarHBondContact O-N 3.26Å
299P39.4Very low41.6Very low139 Ų139142.4 Ų142.490%0.90377%0.772SS**THydrogen-bonded Turntrans-73.194.1170.829.9-32.5000109.2
300G42.4Very low40.7Very low76 Ų76147.9 Ų147.978%0.78478%0.784SS**THydrogen-bonded Turntrans179.23.8-176.900000119.3R298R298-G300 PolarHBondContact O-N 3.26Å
301S36.7Very low39.6Very low108 Ų108149.1 Ų149.176%0.75579%0.79SS**  trans-145.4127.1174.356.30000112.4
302L38.1Very low38.8Very low167 Ų167153 Ų15387%0.87480%0.798SS**PPolyproline II helixtrans-91.6125.4171.3-66.6172.6000108.6I304L302-I304 PolarHBondContact O-N 3.48Å
303P38.2Very low38.3Very low120 Ų120154 Ų15478%0.77980%0.803SS**PPolyproline II helixtrans-74.9117.5169.528.2-29.2000109.6M305P303-M305 PolarHBondContact O-N 2.72Å
304I40.6Very low38.2Very low163 Ų163150.5 Ų150.584%0.83681%0.806SS**PPolyproline II helixtrans-69.1116.2172.6-65175000108.4L302 S306L302-I304 PolarHBondContact O-N 3.48Å; I304-S306 PolarHBondContact O-N 2.81Å; I304-S306 VanDerWaalsContact O-N 3.08Å
305M35.6Very low37.6Very low182 Ų182155.2 Ų155.290%0.89782%0.824SS**  trans-72.897.8173.3-76.5-173.5151.300110.8P303 A307P303-M305 PolarHBondContact O-N 2.72Å; M305-A307 PolarHBondContact O-N 3.48Å
306S33.3Very low36.9Very low116 Ų116149.6 Ų149.681%0.81182%0.819SS**  trans-79.2112.9164.1-173.50000109.5I304I304-S306 PolarHBondContact O-N 2.81Å; I304-S306 VanDerWaalsContact O-N 3.08Å
307A38.1Very low36.4Very low83 Ų83148.5 Ų148.569%0.68682%0.822SS**  trans-116.574.9-171.600000112.5M305M305-A307 PolarHBondContact O-N 3.48Å
308F33.8Very low37Very low203 Ų203146.7 Ų146.789%0.8982%0.824SS**  trans-147.7167.2173.8-83-68.3000113.6
309A32.4Very low37.4Very low101 Ų101141.9 Ų141.984%0.83582%0.822SS**  trans74.487.8166.500000119
310R34.1Very low37Very low230 Ų230143.7 Ų143.787%0.86882%0.818SS**  trans-43.8154.3162-57.7167.1177.4173-2.5116.7
311T33.8Very low36.5Very low128 Ų128148.7 Ų148.779%0.78582%0.821SS**  trans60.1113.7142.351.10000121.7
312R33.2Very low36.1Very low241 Ų241151.1 Ų151.191%0.90983%0.826SS**  -179.7144112.3-102.8172.3170.7166.4-3.7113.3
313N36.5Very low35.7Very low156 Ų156146 Ų14683%0.83481%0.813SS**  trans-94.5155.3149.6-81.315.5000108.3
314P43.8Very low35.4Very low127 Ų127146.8 Ų146.883%0.82582%0.816SS**  -143.1177.297.237.6-22000114.9
315M31Very low34.9Very low174 Ų174146.8 Ų146.886%0.85781%0.813SS**  trans-75.3155.7177-66.3142.2137.500113.4
316S31.5Very low34.9Very low108 Ų108147.3 Ų147.376%0.75581%0.81SS**  165.1117.4113.1-71.30000115.1
317S32Very low34.8Very low118 Ų118146.3 Ų146.383%0.82581%0.808SS**  trans55.2158.3135.1-58.50000123.9
318P55.9Low34.6Very low117 Ų117148.7 Ų148.776%0.7681%0.814SS**  trans-103.3-174.5-166.842.6-36.7000114.5
319P45.2Very low34.5Very low123 Ų123146.7 Ų146.780%0.79981%0.808SS**  -147.5177.6100.841.1-25.4000118
320Q30Very low34.5Very low176 Ų176149.8 Ų149.882%0.82281%0.81SS**  trans-48.3156.4179.8-56.5158.4-48.300119
321Q33.8Very low34.4Very low181 Ų181142.2 Ų142.285%0.84680%0.797SS**  -168.9130.1108.4-95.1167.42300108.6
322N26.8Very low34.2Very low160 Ų160146.5 Ų146.586%0.85680%0.799SS**  44.7125.282.8-81.78.7000114.2
323G29.3Very low34.2Very low58 Ų58147 Ų14760%0.59880%0.801SS**  cis159.1172.9-3.400000110.9
324T32.4Very low33.8Very low137 Ų137147.2 Ų147.284%0.8480%0.796SS**  trans62.6151.9169.459.20000116.3
325E31.4Very low33.3Very low164 Ų164152.3 Ų152.377%0.76680%0.801SS**  cis-164.6-178.1-5-124179.4-168.900110.7
326K34.1Very low33.3Very low192 Ų192153 Ų15384%0.83580%0.802SS**  trans86.6125.2162.5-57.4-166.1175.7179.40119.8
327A32.5Very low33.1Very low95 Ų95151.9 Ų151.979%0.78581%0.808SS**  trans-96.9167.715100000110.1
328V34.1Very low33.1Very low133 Ų133153.6 Ų153.681%0.80681%0.807SS**  trans-169.7155.3141137.60000107.7
329E31.5Very low32.8Very low161 Ų161152.8 Ų152.875%0.75280%0.802SS**  trans-68.3161.5-178.4-50.896.9117.900114.1
330D30.9Very low32Very low167 Ų167152.6 Ų152.689%0.89380%0.803SS**  -151.8172.4106.5-147.6-19.2000110.5
331A32.2Very low31.8Very low71 Ų71147.2 Ų147.259%0.58780%0.796SS**  trans-125.6174.2-157.300000115.3
332R30.9Very low31.8Very low217 Ų217145.5 Ų145.582%0.81980%0.798SS**  trans54.5118154.9-75.7-179.3159.1105-0.8119
333R33.1Very low32.3Very low252 Ų252143.3 Ų143.395%0.95179%0.792SS**  -146.8124.4123.7-112.8171-169.6155.26.3111
334E28.2Very low32.6Very low160 Ų160148.8 Ų148.875%0.74881%0.806SS**  trans-91.3145.2168.4-67152.4121.900109
335Y32.9Very low32.6Very low235 Ų235150.3 Ų150.392%0.92280%0.803SS**  trans-159.3145.2141.2-134.4-89.9000110.4
336E31Very low32.7Very low189 Ų189146.7 Ų146.788%0.88380%0.801SS**  trans-82.4159.8-177.6-63176.298.400112.7
337G27.4Very low32.8Very low84 Ų84142.3 Ų142.387%0.86679%0.787SS**  trans175.867.6178.400000116.1
338D31.3Very low32.9Very low154 Ų154142 Ų14282%0.82478%0.777SS**  trans-108.6159.3162.3-16045.8000107.6
339P49.5Very low33.1Very low100 Ų100138 Ų13865%0.64976%0.758SS**  cis-128.81651.741-26.9000116
340S28.4Very low33.6Very low118 Ų118137.1 Ų137.183%0.82575%0.753SS**  164.5126.3122.250.30000116.2
341G26.7Very low34.1Very low64 Ų64136.8 Ų136.866%0.6675%0.747SS**  87.7139.6125.800000121.9
342T33.3Very low34.7Very low144 Ų144139 Ų13988%0.88375%0.748SS**  trans77.9166.5160.185.90000115.4
343P37.3Very low35.2Very low114 Ų114134.2 Ų134.274%0.7474%0.736SS**  -114.8150.4-112.811.612.8000114H345P343-H345 PolarHBondContact O-N 2.99Å; P343-H345 VanDerWaalsContact O-N 3.11Å
344I35.1Very low35.8Very low174 Ų174123.8 Ų123.889%0.89270%0.702SS**PPolyproline II helixtrans-65.3116.1174.3-63.7-178.4000109.9A346I344-A346 PolarHBondContact O-N 3.11Å
345H33.1Very low36.3Very low169 Ų169125.6 Ų125.678%0.78270%0.702SS**PPolyproline II helixtrans-68.7120.9177.7-158.7-75.6000109.5P343 D347P343-H345 PolarHBondContact O-N 2.99Å; P343-H345 VanDerWaalsContact O-N 3.11Å; H345-D347 PolarHBondContact O-N 2.77Å
346A34.3Very low36.8Very low88 Ų88119.1 Ų119.173%0.72769%0.687SS**PPolyproline II helixtrans-68.7124176.400000110I344I344-A346 PolarHBondContact O-N 3.11Å
347D34.6Very low37.2Very low99 Ų99112 Ų11253%0.52966%0.655SS.*PPolyproline II helixtrans-73.4122.6-175.2-164.5-48.6000111.5H345 A349H345-D347 PolarHBondContact O-N 2.77Å; D347-A349 PolarHBondContact O-N 2.99Å; D347-A349 WeakPolarHBondContact OD1-CB 3.5Å; D347-A349 PolarHBondContact OD1-N 3.34Å
348P35.8Very low37.5Very low90 Ų90109.9 Ų109.958%0.58463%0.627SS**THydrogen-bonded Turntrans-68.2-16.9-179.328.4-35.5000114.4H350 Q351P348-H350 VanDerWaalsContact C-N 3.28Å; P348-H350 PolarHBondContact O-N 2.79Å; P348-Q351 PolarHBondContact O-N 2.94Å
349A37.3Very low37.7Very low48 Ų48107.5 Ų107.540%0.39762%0.619SS.*Hα-helixtrans-57.3-39.3-17700000112.9D347 Q351 L352D347-A349 PolarHBondContact O-N 2.99Å; D347-A349 WeakPolarHBondContact OD1-CB 3.5Å; D347-A349 PolarHBondContact OD1-N 3.34Å; A349-Q351 VanDerWaalsContact C-N 3.29Å; A349-Q351 PolarHBondContact O-N 2.99Å; A349-L352 PolarHBondContact O-N 3.31Å
350H43.4Very low37Very low142 Ų142107.3 Ų107.366%0.65763%0.626SS**Hα-helixtrans-66.2-24.8-176.3-66.3-63.6000114.2P348P348-H350 VanDerWaalsContact C-N 3.28Å; P348-H350 PolarHBondContact O-N 2.79Å
351Q41Very low37.5Very low161 Ų161109.2 Ų109.275%0.75263%0.626SS**Hα-helixtrans-75.2-25.5177.2-65.8-165.920.500113P348 A349P348-Q351 PolarHBondContact O-N 2.94Å; A349-Q351 VanDerWaalsContact C-N 3.29Å; A349-Q351 PolarHBondContact O-N 2.99Å
352L43.8Very low37.9Very low116 Ų116112 Ų11261%0.60763%0.633SS**Hα-helixtrans-75-39.1-178.6-93158.3000112.4A349 S354 R355A349-L352 PolarHBondContact O-N 3.31Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 2.71Å; L352-R355 WeakPolarHBondContact O-CB 3.4Å; L352-R355 PolarHBondContact O-N 3.38Å
353M42.1Very low37.9Very low117 Ų117111.6 Ų111.658%0.57663%0.63SS**Hα-helixtrans-58.6-35.6179.8-66-175179.600113.1R355 V356M353-R355 PolarHBondContact O-N 2.87Å; M353-V356 PolarHBondContact O-N 3.01Å
354S44.8Very low37.9Very low34 Ų34112 Ų11224%0.23863%0.633CS.*Hα-helixtrans-64.3-22.8177.2-169.50000113.2Y266 L352Y266-S354 PolarHBondContact O-OG 2.97Å; L352-S354 VanDerWaalsContact C-N 3.27Å; L352-S354 PolarHBondContact O-N 2.71Å
355R39.5Very low37.8Very low197 Ų197107.4 Ų107.474%0.74363%0.628SS**Hα-helixtrans-82.4-29.9176.3-65.9-174.6172.6-170.1-2113.6L352 M353 L357 S358L352-R355 WeakPolarHBondContact O-CB 3.4Å; L352-R355 PolarHBondContact O-N 3.38Å; M353-R355 PolarHBondContact O-N 2.87Å; R355-L357 VanDerWaalsContact C-N 3.29Å; R355-L357 PolarHBondContact O-N 3.09Å; R355-S358 PolarHBondContact O-N 3.03Å
356V42.3Very low37.7Very low100 Ų100102.7 Ų102.761%0.60663%0.625SS**Hα-helixtrans-69.4-24.7-173-179.80000112.9F285 M353 S358F285-V356 HydrophobicContact CE1-CG1 4.23Å; M353-V356 PolarHBondContact O-N 3.01Å; V356-S358 VanDerWaalsContact C-N 3.29Å; V356-S358 PolarHBondContact O-N 3.49Å
357L39.5Very low37.6Very low40 Ų40105.9 Ų105.921%0.20963%0.629CS.*THydrogen-bonded Turntrans-82.5-0.5178.3-65.2176000114.5Y266 T272 F285 R355Y266-L357 HydrophobicContact CD2-CD1 4.3Å; Y266-L357 HydrophobicContact CE2-CD1 4.28Å; T272-L357 HydrophobicContact CG2-CD1 3.79Å; F285-L357 HydrophobicContact CD2-CD2 3.94Å; F285-L357 HydrophobicContact CE1-CD2 4.43Å; F285-L357 HydrophobicContact CE2-CD2 3.61Å; F285-L357 HydrophobicContact CG-CD2 4.48Å; F285-L357 HydrophobicContact CZ-CD2 3.88Å; R355-L357 VanDerWaalsContact C-N 3.29Å; R355-L357 PolarHBondContact O-N 3.09Å
358S33.6Very low37.5Very low39 Ų39109.8 Ų109.827%0.27364%0.644SS.*SBendtrans-113.7126.3-179.9-77.40000111.5R355 V356 A360R355-S358 PolarHBondContact O-N 3.03Å; V356-S358 VanDerWaalsContact C-N 3.29Å; V356-S358 PolarHBondContact O-N 3.49Å; S358-A360 PolarHBondContact O-N 3.43Å; S358-A360 VanDerWaalsContact O-N 3.08Å
359P36.7Very low37.3Very low103 Ų103110.3 Ų110.367%0.66966%0.655SS**  trans-73.6104.2-179.529.5-33.6000111
360A35.6Very low37.1Very low96 Ų96114.7 Ų114.779%0.79368%0.677SS**PPolyproline II helixtrans-80.1131.7169.900000110.7S358S358-A360 PolarHBondContact O-N 3.43Å; S358-A360 VanDerWaalsContact O-N 3.08Å
361L37.2Very low37Very low159 Ų159112.9 Ų112.983%0.83268%0.678SS**PPolyproline II helixtrans-102.3149.4165.8-73.8175.2000109.5
362P35.3Very low36.4Very low123 Ų123112.9 Ų112.980%0.79968%0.682SS**PPolyproline II helixtrans-76.1146.9-17130.4-35.6000113.1
363V33.8Very low35.7Very low135 Ų135114 Ų11482%0.81869%0.694SS**  trans-117.3130.6164.2179.40000107.3
364P36.9Very low35.2Very low123 Ų123114.2 Ų114.280%0.79971%0.707SS**  trans-68.9140.7177.6-18.732.3000112.7
365G33.4Very low34.4Very low77 Ų77116.6 Ų116.679%0.79474%0.737SS**  trans-92.3-179.8162.100000111.7
366G31Very low33.9Very low70 Ų70118.8 Ų118.872%0.72275%0.745SS**  cis-137.6-137.4-2.500000110.6
367L32.8Very low33.9Very low154 Ų154118.8 Ų118.881%0.80675%0.748SS**  cis-153.6-179.86.3-85.6176.8000110
368H32Very low33.7Very low181 Ų181122 Ų12284%0.83877%0.774SS**  trans86.9130.7167.9-60.4-81.7000118.9
369A31.2Very low34.1Very low101 Ų101126 Ų12684%0.83580%0.798SS**  trans-150.5133.4166.800000108.9
370V32.2Very low35Very low141 Ų141126 Ų12686%0.85580%0.798SS**  trans-148.1143.9168.8-155.20000107.1
371P42.1Very low34.8Very low103 Ų103129.3 Ų129.367%0.66980%0.797SS**  trans-122.6177.5-154.142.3-30.5000117
372L29.6Very low34.5Very low162 Ų162127.8 Ų127.885%0.84879%0.79SS**  trans72.6144170.9-47172.1000113.8
373T28.5Very low34.4Very low139 Ų139129.3 Ų129.385%0.85379%0.79SS**  cis-150.5-164.336.247.80000113
374S31.1Very low34.5Very low121 Ų121131.7 Ų131.785%0.84679%0.785SS**  trans-86.4149.9-175.553.80000116.6
375G27.6Very low34.8Very low85 Ų85131.8 Ų131.888%0.87679%0.785SS**  trans173.6134.116200000116.8
376R30Very low34.8Very low242 Ų242132.8 Ų132.891%0.91377%0.773SS**  trans-119.9172167.6-142-161.5165.4-150.3-1.8106.3
377P42.7Very low35.7Very low101 Ų101135.2 Ų135.266%0.65678%0.776SS**  cis-132.7-173.4-943.5-26.6000114.7
378S35.1Very low35.8Very low108 Ų108135.7 Ų135.776%0.75577%0.773SS**  trans-80.1160.3163.9-29.70000112.7
379P42.3Very low36.7Very low122 Ų122132.9 Ų132.979%0.79277%0.771SS**  -143.9-155.4126.741.3-22.9000112.8
380P53.6Low36.9Very low103 Ų103135.6 Ų135.667%0.66977%0.771SS**  -135.8-179-98.942.5-22.8000117.5
381H32.7Very low37.8Very low166 Ų166134.5 Ų134.577%0.76977%0.767SS**  trans28.8145.8144.1-76.8-97.8000121.6
382D30.8Very low38.6Very low127 Ų127134.4 Ų134.468%0.67977%0.766SS**  cis-158.4-154.99.9-134.6-31.8000109.9
383L33.8Very low38.6Very low154 Ų154133.6 Ų133.681%0.80676%0.762SS**  cis-158.2-172.34.5-132177.5000109.8
384R34.2Very low38.8Very low185 Ų185132.8 Ų132.870%0.69876%0.758SS**  trans-138.7149.5170.7-169.1-157.4175.5173.40.4110.3D386R384-D386 IonicContact CZ-OD2 3.28Å; R384-D386 VanDerWaalsContact CZ-OD2 3.28Å; R384-D386 IonicContact NE-OD2 3.19Å; R384-D386 PolarHBondContact NE-OD2 3.1Å; R384-D386 VanDerWaalsContact NE-OD2 3.1Å; R384-D386 IonicContact NH2-OD2 2.66Å; R384-D386 PolarHBondContact NH2-OD2 2.66Å
385P43.3Very low39Very low125 Ų125133.7 Ų133.781%0.81275%0.752SS**  -145.8167.1116.935.9-19.6000115.7
386D33.7Very low39.3Very low99 Ų99138.5 Ų138.553%0.52975%0.752SS.*  trans-111.5161.8173.5-108.5-74.2000109R384R384-D386 IonicContact CZ-OD2 3.28Å; R384-D386 VanDerWaalsContact CZ-OD2 3.28Å; R384-D386 IonicContact NE-OD2 3.19Å; R384-D386 PolarHBondContact NE-OD2 3.1Å; R384-D386 VanDerWaalsContact NE-OD2 3.1Å; R384-D386 IonicContact NH2-OD2 2.66Å; R384-D386 PolarHBondContact NH2-OD2 2.66Å
387P50Low39.5Very low121 Ų121134.8 Ų134.879%0.78674%0.744SS**  -159.1171.276.341.4-19.1000121.1
388H36Very low39Very low163 Ų163138.3 Ų138.376%0.75575%0.752SS**  trans-32.6166.1160.2-71.7-48.6000119.9
389P50.9Low39.5Very low123 Ų123139 Ų13980%0.79975%0.753SS**  cis-148.2-17042.242.2-19.2000120.7
390L34.7Very low39Very low158 Ų158143.4 Ų143.483%0.82776%0.756SS**  trans-101.8-161.8-178.5-58.5168.7000111.2
391P51.4Low37.8Very low117 Ų117148.2 Ų148.276%0.7677%0.766SS**  cis-137-143.5-4.646.2-25000112.5
392P58.8Low38Very low102 Ų102150.4 Ų150.466%0.66277%0.769SS**  cis-133.7-163.4-20.441.5-21.8000116.3
393D29.7Very low38.4Very low144 Ų144150.2 Ų150.277%0.7777%0.774SS**  trans79.3143.8159.5-71.5-5.2000121.6
394T32.7Very low38.4Very low122 Ų122148.9 Ų148.975%0.74877%0.773SS**  cis-149.3166.6-210.60000115.4
395L34.2Very low38.4Very low141 Ų141144.5 Ų144.574%0.73878%0.777SS**  trans-34.2151.7174.5-65.9152.9000122.3
396H35.4Very low37.7Very low186 Ų186148.6 Ų148.686%0.86178%0.777SS**  -169.9-176.8123.4-10454.9000114.8
397H33.2Very low37.6Very low164 Ų164151.6 Ų151.676%0.75979%0.788SS**  trans-109.6172.2-152.5-80.113.2000119.9
398H32.5Very low36.8Very low175 Ų175153.2 Ų153.281%0.8179%0.785SS**  trans-42.5178.1168.6-54.7-72.6000118.2
399P45.8Very low36.6Very low121 Ų121156.4 Ų156.479%0.78679%0.792SS**  cis-145.3-170.51643.4-21.4000119.4
400Y31.8Very low35.7Very low216 Ų216158.6 Ų158.685%0.84780%0.796SS**  trans-39.6152.1173.3-84.6-98000119.3
401K28.6Very low35.5Very low204 Ų204154.8 Ų154.889%0.88780%0.795SS**  -169.6151123.1-108.7166.9-173.8177.30116
402Y36.1Very low34.6Very low212 Ų212153.9 Ų153.983%0.83180%0.797SS**  trans-80.4161.7162.1-102.5-95.6000111.3
403P40.2Very low33.3Very low122 Ų122159 Ų15979%0.79281%0.809SS**  trans-126.2144.6147.335.5-23.9000113.8
404T32.8Very low33.7Very low127 Ų127158.6 Ų158.678%0.77981%0.812SS**  trans-138.5161167.948.70000109.7
405A33.9Very low33.7Very low93 Ų93164.3 Ų164.377%0.76982%0.82SS**  trans71.1146.8-171.200000113.2
406Y28.7Very low34Very low211 Ų211163 Ų16383%0.82782%0.819SS**  cis-142.1172.337.5-132.1-92.6000115.2
407E31.5Very low34.1Very low161 Ų161158.7 Ų158.775%0.75281%0.811SS**  trans-83.7-176.9175-72.5-170.189.300114.7
408H32.9Very low34.6Very low155 Ų155156.5 Ų156.572%0.71881%0.811SS**  trans77.8123.8178.9-46.3-78.8000113.9
409Y32Very low34.5Very low230 Ų230158.5 Ų158.590%0.90281%0.813SS**  -146.4161.752.7-121.8-97.7000115.6
410L33.8Very low34.5Very low169 Ų169158.3 Ų158.389%0.88581%0.811SS**  trans-76.1147.5166.4-69.7146.7000111.3
411G28.8Very low35Very low79 Ų79155.6 Ų155.681%0.81481%0.811SS**  trans152119.9161.300000115.3
412A33.3Very low35.7Very low97 Ų97152 Ų15280%0.80281%0.808SS**  trans-84.1147.1174.400000112.5
413K31.8Very low35.6Very low210 Ų210147 Ų14791%0.91380%0.804SS**  trans-168.2141.6138-104.4149.6-167.9175.60112.7
414T37Very low35.6Very low135 Ų135148.3 Ų148.383%0.82880%0.803SS**  trans-78.6152171.3430000111.5
415R33Very low35.7Very low243 Ų243153.7 Ų153.792%0.91781%0.809SS**  trans-143160.3163.3-98.7-153.7160-161.7-4.8110.6
416P41.8Very low35.6Very low112 Ų112152.1 Ų152.173%0.72780%0.802SS**  trans-117.9169-143.631.4-14.4000115.6
417S36.6Very low35.9Very low97 Ų97151.4 Ų151.468%0.67881%0.805SS**  trans-71.3147169.5-173.70000111.9
418P42.8Very low35.9Very low118 Ų118149 Ų14977%0.76680%0.802SS**  trans-71.9158.1169.630.2-34.5000113.2
419Y30.6Very low35.9Very low217 Ų217152.2 Ų152.285%0.85181%0.81SS**  trans-94.1178-175.8-75.6-81.2000112
420P47.1Very low36Very low116 Ų116148.5 Ų148.575%0.75380%0.8SS**  cis-134.81769.941.4-23.9000117.6
421L41.8Very low36Very low160 Ų160147.7 Ų147.784%0.83879%0.791SS**  trans-122.9148.7161.3-80.3170.1000110.2
422P42.8Very low36.1Very low127 Ų127152.8 Ų152.883%0.82579%0.794SS**  trans-77.4171.3169.633.7-34.5000112.3
423S34.6Very low36.2Very low107 Ų107155.7 Ų155.775%0.74879%0.792SS**  trans-147.6172.4-148.9-157.10000116.8
424I39.8Very low36.3Very low151 Ų151153.2 Ų153.277%0.77479%0.789SS**  trans78.9100.9160.1-59.7160.1000119.1
425R34.2Very low37.2Very low240 Ų240152 Ų15291%0.90678%0.784SS**  175.3134113.8-89.3-173.9-169.5-175.42.7108.4
426G32.7Very low37.5Very low59 Ų59145 Ų14561%0.60878%0.778SS**  cis120.7105.1-7.600000113.5
427H35.3Very low37.3Very low196 Ų196146.7 Ų146.791%0.90779%0.786SS**  trans-171.9168150.2-90.4-52.2000110.1
428T30.6Very low37.3Very low112 Ų112148.1 Ų148.169%0.68779%0.791SS**  trans-136.1155.4-154.8-29.90000112.2
429Y34Very low37Very low222 Ų222148.8 Ų148.887%0.87179%0.788SS**  -176.2-173.2124.7-103.2-67.5000112.9
430H33.5Very low37.2Very low151 Ų151144.9 Ų144.970%0.69978%0.779SS**  trans-110.1152-141.9-108.7-114.3000118.7
431H33Very low36.6Very low152 Ų152148.8 Ų148.870%0.70478%0.78SS**  trans4.2144.2146.6-77.9-99.1000122
432H31.8Very low36.2Very low187 Ų187146.1 Ų146.187%0.86678%0.775SS**  -148.5159.9120.5-129.5-82.1000113.3
433M35.3Very low35.9Very low157 Ų157144.4 Ų144.477%0.77377%0.772SS**  trans-144.5140.1176.6-90.1-80.1-17900109.9
434N33.5Very low35.9Very low159 Ų159145.2 Ų145.285%0.8577%0.773SS**  179.9166127.3-112.15.6000112.9
435P55.9Low35.8Very low110 Ų110143.7 Ų143.771%0.71478%0.775SS**  trans-119170-168.843.1-33.7000116.9
436A39.6Very low35.8Very low95 Ų95135.9 Ų135.979%0.78577%0.769SS**  trans54.5122.7143.500000122.9
437T36.7Very low36.6Very low148 Ų148138.6 Ų138.691%0.90878%0.776SS**  trans-144.5179.2150.448.50000110.4
438T37.4Very low36.8Very low127 Ų127134.5 Ų134.578%0.77977%0.77SS**  trans-128.6171.1-153-29.60000114.1
439N37.6Very low37.1Very low132 Ų132136.3 Ų136.371%0.70678%0.775SS**  trans109.3124.8141.2-86.5-9.1000123.2
440M34.3Very low37.9Very low135 Ų135137.2 Ų137.267%0.66578%0.779SS**  trans86.4123133.5-64.4-64.9-165.500124.9
441Y34.2Very low38.5Very low197 Ų197136.4 Ų136.477%0.77378%0.78SS**  trans66.4108141.6-69.9-52.7000125.9
442S34.2Very low39.3Very low104 Ų104140.3 Ų140.373%0.72779%0.79SS**  75.5126.1118-67.70000125.7
443A36.1Very low40Very low92 Ų92134.1 Ų134.176%0.7678%0.777SS**  trans70.3147.5145.700000118
444T35.1Very low41.3Very low124 Ų124132.7 Ų132.776%0.76178%0.779SS**  cis-156.7169.337.339.60000114
445S36.9Very low41.8Very low118 Ų118140.6 Ų140.683%0.82580%0.797SS**  trans62.5130149600000122.6
446G34.8Very low41.1Very low76 Ų76142.1 Ų142.178%0.78480%0.801SS**  trans153.683.9164.200000113.9
447P48.7Very low41.2Very low116 Ų116144.6 Ų144.675%0.75380%0.802SS**  trans-104.7162.2-165.738.9-34.8000116.5
448S39.8Very low41.5Very low111 Ų111144.4 Ų144.478%0.77680%0.796SS**  trans54.3112.5146.460.30000120.5
449N37.2Very low41.7Very low150 Ų150145.4 Ų145.480%0.80280%0.797SS**  -151.7106.1128.2-150.22.6000111.2
450Y51.3Low42Very low241 Ų241146.3 Ų146.395%0.94580%0.803SS**  trans-148.3125.7162.1-97.5-71.5000108.2
451D45.8Very low42.5Very low134 Ų134147 Ų14772%0.71781%0.812SS**  trans-97.8135.6-173-177.513.5000110.8
452Y49.4Very low43.1Very low234 Ų234143.4 Ų143.492%0.91881%0.814SS**  trans-159.589.4164-113.4-73.7000110.4
453G45.4Very low43.8Very low57 Ų57146.5 Ų146.559%0.58882%0.821SS**  trans-83150.1166.200000112.6
454P63.6Low44.4Very low127 Ų127151 Ų15183%0.82583%0.826SS**  trans-101.3152.2-167.537.4-35.4000115.4
455R44.7Very low45.2Very low324 Ų324153.5 Ų153.5100%1.22383%0.832SS**  trans-161.30131.5-112.2174.8-170-151.40.3112.5

Retrieved 455 of 455 residues in 985.5 ms (Link to these results)