A0A077Z6T9_TRITR Loading...

Fumarylacetoacetase

AlphaFold DB , UniProt , Accession A0A077Z6T9, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 420 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
1M91Very high95.5Very high162 Ų16266 Ų6680%0.79841%0.407SS*.  0124.80-72.2-77.1-102.600109.4K92M1-K92 HydrophobicContact CB-CD 3.99Å; M1-K92 HydrophobicContact CB-CG 4.4Å; M1-K92 PolarHBondContact O-N 3.37Å
2S97.2Very high95.8Very high20 Ų2061.9 Ų61.914%0.1438%0.379CS..BIsolated β-bridgetrans-85.6160.5179.8-177.90000111.5V4 L90S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 WeakPolarHBondContact CB-O 3.49Å; S2-V4 WeakPolarHBondContact OG-CB 3.5Å; S2-V4 PolarHBondContact OG-N 3.31Å; S2-L90 WeakPolarHBondContact CA-O 3.49Å; S2-L90 WeakPolarHBondContact CB-O 3.26Å; S2-L90 PolarHBondContact OG-O 3.32Å
3F97.8Very high95.9Very high45 Ų4558.3 Ų58.320%0.19736%0.358CS..SBendtrans-77.2-21.516369.6-98.1000112.1L89 L90 I97 R98 R104 L108F3-L89 WeakPolarHBondContact CE1-O 3.28Å; F3-L90 WeakPolarHBondContact CD1-O 3.38Å; F3-L90 HydrophobicContact CE1-CD2 4.28Å; F3-L90 HydrophobicContact CZ-CD2 4.27Å; F3-L90 PolarHBondContact N-O 3.43Å; F3-I97 HydrophobicContact CE1-CB 4.3Å; F3-I97 HydrophobicContact CE1-CG2 4.49Å; F3-I97 HydrophobicContact CZ-CB 4.04Å; F3-I97 HydrophobicContact CZ-CG2 3.75Å; F3-R98 HydrophobicContact CB-CB 4.33Å; F3-R98 HydrophobicContact CB-CG 3.72Å; F3-R98 HydrophobicContact CD1-CB 3.85Å; F3-R98 HydrophobicContact CD1-CG 4.2Å; F3-R98 HydrophobicContact CD2-CB 4.31Å; F3-R98 HydrophobicContact CD2-CG 4.18Å; F3-R98 HydrophobicContact CE1-CB 4.22Å; F3-R98 HydrophobicContact CG-CB 3.91Å; F3-R98 HydrophobicContact CG-CG 3.78Å; F3-R104 HydrophobicContact CE2-CG 4.47Å; F3-L108 HydrophobicContact CE2-CD1 3.9Å; F3-L108 HydrophobicContact CZ-CD1 4.29Å
4V97.6Very high96.1Very high13 Ų1355.4 Ų55.48%0.07934%0.339CS..SBendtrans-71.7134.7168.8-178.60000107.8S2 V6 I37 Q40 L90 L108S2-V4 VanDerWaalsContact C-N 3.3Å; S2-V4 WeakPolarHBondContact CB-O 3.49Å; S2-V4 WeakPolarHBondContact OG-CB 3.5Å; S2-V4 PolarHBondContact OG-N 3.31Å; V4-V6 PolarHBondContact O-N 3.19Å; V4-I37 HydrophobicContact CB-CG1 3.98Å; V4-I37 HydrophobicContact CG1-CG1 4.21Å; V4-I37 HydrophobicContact CG1-CG2 4.46Å; V4-I37 HydrophobicContact CG2-CG1 4.31Å; V4-I37 HydrophobicContact CG2-CG2 4.31Å; V4-Q40 HydrophobicContact CG1-CB 4.32Å; V4-Q40 HydrophobicContact CG1-CG 3.81Å; V4-L90 HydrophobicContact CG2-CD2 4.27Å; V4-L108 HydrophobicContact CG2-CD1 3.9Å; V4-L108 HydrophobicContact CG2-CD2 4.35Å
5N96.6Very high96.2Very high138 Ų13856.9 Ų56.974%0.73834%0.341SS*.  trans-66.5121.7177.1-172.935.7000110
6V97.3Very high96.4Very high42 Ų4253.4 Ų53.426%0.25532%0.319SS..  trans-116.7112.7177.4179.50000107.7V4 P13 I37V4-V6 PolarHBondContact O-N 3.19Å; V6-P13 HydrophobicContact CG1-CB 4.15Å; V6-I37 HydrophobicContact CG2-CD1 3.81Å; V6-I37 HydrophobicContact CG2-CG1 4.41Å
7A95.1Very high96.5Very high59 Ų5950.3 Ų50.349%0.48830%0.301SS..  trans-62.7142.8177.700000111.2G9 S10A7-G9 PolarHBondContact O-N 3.22Å; A7-S10 WeakPolarHBondContact O-CB 3.4Å; A7-S10 PolarHBondContact O-N 2.71Å
8P92.4Very high96.6Very high136 Ų13647.5 Ų47.588%0.88328%0.284SS*.THydrogen-bonded Turntrans-53.6130.5171.4-25.634.6000111.3S10P8-S10 VanDerWaalsContact C-N 3.3Å; P8-S10 PolarHBondContact O-N 3.41Å
9G91.9Very high96.8Very high53 Ų5345.2 Ų45.255%0.54627%0.27SS..THydrogen-bonded Turntrans787.8-178.200000115.3A7 R404A7-G9 PolarHBondContact O-N 3.22Å; G9-R404 VanDerWaalsContact O-CD 3.3Å; G9-R404 WeakPolarHBondContact O-CD 3.43Å; G9-R404 PolarHBondContact O-NE 3.25Å
10S95.9Very high96.9Very high27 Ų2743 Ų4319%0.18926%0.256CS..  trans-57.1144.7168.1179.10000111.1A7 P8 F12A7-S10 WeakPolarHBondContact O-CB 3.4Å; A7-S10 PolarHBondContact O-N 2.71Å; P8-S10 VanDerWaalsContact C-N 3.3Å; P8-S10 PolarHBondContact O-N 3.41Å; S10-F12 PolarHBondContact O-N 2.94Å; S10-F12 PolarHBondContact OG-N 3.24Å; S10-F12 VanDerWaalsContact OG-N 3.11Å
11D97.9Very high96.9Very high31 Ų3141 Ų4117%0.16625%0.245CC..SBendtrans-68.7-20.8170.9-77.7-14.6000112.4P13 N16 R404 G406 G408D11-P13 WeakPolarHBondContact O-CD 3.38Å; D11-N16 PolarHBondContact O-ND2 3.08Å; D11-R404 IonicContact OD1-CZ 3.72Å; D11-R404 IonicContact OD1-NE 2.78Å; D11-R404 PolarHBondContact OD1-NE 2.65Å; D11-R404 IonicContact OD1-NH2 3.69Å; D11-R404 PolarHBondContact OD1-NH2 2.99Å; D11-R404 IonicContact OD2-NH2 3.48Å; D11-G406 PolarHBondContact O-N 2.81Å; D11-G406 WeakPolarHBondContact OD1-CA 3.44Å; D11-G408 PolarHBondContact OD2-N 2.83Å
12F98.6Very high97.3Very high17 Ų1733.5 Ų33.58%0.07521%0.208CC..  trans-11956.8-167.6-47.2-58.7000113.1S10 P18 A36 G38 W264S10-F12 PolarHBondContact O-N 2.94Å; S10-F12 PolarHBondContact OG-N 3.24Å; S10-F12 VanDerWaalsContact OG-N 3.11Å; F12-P18 HydrophobicContact CD1-CG 3.84Å; F12-P18 HydrophobicContact CE1-CG 4.1Å; F12-A36 HydrophobicContact CB-CB 4.09Å; F12-A36 HydrophobicContact CD1-CB 3.7Å; F12-A36 HydrophobicContact CD2-CB 4.29Å; F12-A36 HydrophobicContact CE1-CB 4.19Å; F12-A36 HydrophobicContact CG-CB 3.75Å; F12-G38 WeakPolarHBondContact CD2-O 3.49Å; F12-G38 PolarHBondContact O-N 2.93Å; F12-W264 AromaticContact CE1-CD1 3.82Å; F12-W264 HydrophobicContact CE1-CG 4.21Å; F12-W264 AromaticContact CZ-CD1 3.66Å; F12-W264 HydrophobicContact CZ-CG 4.46Å; F12-W264 AromaticContact CZ-NE1 3.89Å
13P97.9Very high97.3Very high15 Ų1532.7 Ų32.710%0.09720%0.202CC..  trans-72.5174.8171.137.2-39.8000111.6V6 D11 E15 N16 L403 R404 I405V6-P13 HydrophobicContact CG1-CB 4.15Å; D11-P13 WeakPolarHBondContact O-CD 3.38Å; P13-E15 WeakPolarHBondContact CB-OE2 3.27Å; P13-E15 PolarHBondContact O-N 3.1Å; P13-E15 VanDerWaalsContact O-N 3.1Å; P13-N16 HydrophobicContact CG-CB 4.28Å; P13-N16 PolarHBondContact O-N 3.1Å; P13-L403 HydrophobicContact CG-CD1 3.84Å; P13-R404 WeakPolarHBondContact CD-O 3.44Å; P13-R404 WeakPolarHBondContact CG-O 3.48Å; P13-I405 HydrophobicContact CG-CD1 4.12Å
14L98.1Very high97.3Very high17 Ų1731.5 Ų31.59%0.08920%0.199CC..THydrogen-bonded Turntrans-59.7-22.7178.1-17564.6000112.6L17 I37 L90L14-L17 HydrophobicContact CD1-CD1 4.35Å; L14-L17 HydrophobicContact CD1-CD2 4.42Å; L14-L17 WeakPolarHBondContact O-CD1 3.49Å; L14-L17 VanDerWaalsContact O-CG 3.28Å; L14-L17 WeakPolarHBondContact O-CG 3.44Å; L14-I37 HydrophobicContact CB-CD1 4.38Å; L14-L90 HydrophobicContact CD1-CB 3.53Å; L14-L90 HydrophobicContact CD1-CD1 4.49Å
15E98Very high97Very high79 Ų7935.4 Ų35.437%0.36923%0.232SC..THydrogen-bonded Turntrans-82.5-14178.1-63.374.4-165.300112.6P13 R83 L403 I405P13-E15 WeakPolarHBondContact CB-OE2 3.27Å; P13-E15 PolarHBondContact O-N 3.1Å; P13-E15 VanDerWaalsContact O-N 3.1Å; E15-R83 PolarHBondContact O-NH2 3.18Å; E15-L403 HydrophobicContact CB-CD1 3.58Å; E15-L403 HydrophobicContact CB-CD2 4.02Å; E15-L403 HydrophobicContact CB-CG 4.45Å; E15-L403 HydrophobicContact CG-CD1 3.94Å; E15-L403 HydrophobicContact CG-CD2 4.38Å; E15-I405 HydrophobicContact CB-CD1 4.1Å
16N98.7Very high96.5Very high0 Ų038 Ų380%024%0.24CC..THydrogen-bonded Turntrans-87.4-76.9174.5-170.8-2.3000111.1D11 P13 P18 R83 I405 G406D11-N16 PolarHBondContact O-ND2 3.08Å; P13-N16 HydrophobicContact CG-CB 4.28Å; P13-N16 PolarHBondContact O-N 3.1Å; N16-P18 WeakPolarHBondContact OD1-CD 3.39Å; N16-R83 PolarHBondContact O-NH1 2.8Å; N16-I405 HydrophobicContact CB-CD1 3.62Å; N16-I405 HydrophobicContact CB-CG2 4.19Å; N16-G406 PolarHBondContact ND2-O 2.67Å
17L98.8Very high95.9Very high1 Ų137.6 Ų37.61%0.00524%0.239CC..  trans5359.3-175.5-53.6179.1000112.9L14 V35 I37 L86 Q87 L90L14-L17 HydrophobicContact CD1-CD1 4.35Å; L14-L17 HydrophobicContact CD1-CD2 4.42Å; L14-L17 WeakPolarHBondContact O-CD1 3.49Å; L14-L17 VanDerWaalsContact O-CG 3.28Å; L14-L17 WeakPolarHBondContact O-CG 3.44Å; L17-V35 HydrophobicContact CB-CG1 3.64Å; L17-V35 HydrophobicContact CD2-CG1 3.88Å; L17-V35 HydrophobicContact CG-CG1 4.31Å; L17-I37 HydrophobicContact CD2-CB 4.34Å; L17-I37 HydrophobicContact CD2-CD1 4.2Å; L17-L86 HydrophobicContact CD1-CB 4.08Å; L17-Q87 HydrophobicContact CD1-CB 4.5Å; L17-Q87 HydrophobicContact CD1-CG 3.58Å; L17-L90 HydrophobicContact CD1-CD1 4.5Å; L17-L90 HydrophobicContact CD2-CD1 3.57Å
18P98.9Very high95.1Very high0 Ų039.1 Ų39.10%024%0.242CC..  trans-74.7150.917735.1-33.2000110.4F12 N16 V35 A36 W264 V265 V266F12-P18 HydrophobicContact CD1-CG 3.84Å; F12-P18 HydrophobicContact CE1-CG 4.1Å; N16-P18 WeakPolarHBondContact OD1-CD 3.39Å; P18-V35 WeakPolarHBondContact O-CA 3.26Å; P18-A36 HydrophobicContact CG-CB 3.86Å; P18-A36 PolarHBondContact O-N 3Å; P18-W264 HydrophobicContact CB-CB 3.98Å; P18-W264 HydrophobicContact CG-CB 4Å; P18-W264 HydrophobicContact CG-CD2 4.41Å; P18-W264 HydrophobicContact CG-CE3 4.35Å; P18-W264 HydrophobicContact CG-CG 4.28Å; P18-V265 VanDerWaalsContact CA-O 3.26Å; P18-V265 WeakPolarHBondContact CA-O 3.34Å; P18-V265 WeakPolarHBondContact CB-O 3.28Å; P18-V266 HydrophobicContact CB-CG2 4.08Å
19Y98.9Very high94.5Very high4 Ų443.1 Ų43.12%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-95.2144.1-179.7-65.6-98.9000110.5I33 G34 V35 L68 F71 A82 L86 F228 V265 T267Y19-I33 HydrophobicContact CD1-CG2 4.13Å; Y19-G34 WeakPolarHBondContact CA-O 3.34Å; Y19-V35 HydrophobicContact CD1-CG2 3.78Å; Y19-V35 HydrophobicContact CE1-CG2 3.85Å; Y19-V35 HydrophobicContact CG-CG2 4.37Å; Y19-L68 HydrophobicContact CD1-CD2 4.4Å; Y19-F71 HydrophobicContact CD1-CE1 4.15Å; Y19-F71 AromaticContact CE1-CE1 3.78Å; Y19-F71 HydrophobicContact CE1-CE1 3.78Å; Y19-F71 HydrophobicContact CE1-CZ 4.13Å; Y19-F71 HydrophobicContact CE2-CE1 4.41Å; Y19-F71 AromaticContact CZ-CE1 3.91Å; Y19-A82 WeakPolarHBondContact OH-CB 3.14Å; Y19-L86 HydrophobicContact CE1-CD1 4Å; Y19-L86 VanDerWaalsContact OH-CD1 3.31Å; Y19-L86 WeakPolarHBondContact OH-CD1 3.15Å; Y19-F228 HydrophobicContact CD2-CE1 4.36Å; Y19-F228 AromaticContact CD2-CZ 3.65Å; Y19-F228 HydrophobicContact CD2-CZ 3.65Å; Y19-F228 HydrophobicContact CE2-CZ 4.08Å; Y19-F228 HydrophobicContact CG-CZ 4.09Å; Y19-V265 PolarHBondContact N-O 2.92Å; Y19-V265 PolarHBondContact O-N 2.9Å; Y19-T267 HydrophobicContact CD2-CG2 3.63Å; Y19-T267 HydrophobicContact CE2-CG2 3.54Å
20G98.8Very high94.2Very high0 Ų043.7 Ų43.70%024%0.241CC..EExtended strand (participates in β ladder)trans-152.8172175.200000111.3G34G20-G34 PolarHBondContact N-O 3.08Å; G20-G34 PolarHBondContact O-N 3.28Å
21I98.6Very high94.2Very high2 Ų244.1 Ų44.11%0.0124%0.244CC..EExtended strand (participates in β ladder)trans-111.1129.6173.2-60.6-60.4000108.3C31 S32 I33 P66 L68 M116 H117 P119I21-C31 HydrophobicContact CG2-CB 3.64Å; I21-S32 WeakPolarHBondContact CA-O 3.2Å; I21-I33 HydrophobicContact CD1-CB 4.37Å; I21-I33 HydrophobicContact CD1-CG1 3.6Å; I21-P66 VanDerWaalsContact CG2-O 3.27Å; I21-P66 WeakPolarHBondContact CG2-O 3.38Å; I21-L68 HydrophobicContact CD1-CG 4.29Å; I21-M116 WeakPolarHBondContact O-CE 3.15Å; I21-H117 HydrophobicContact CB-CB 4.27Å; I21-H117 HydrophobicContact CG2-CB 3.97Å; I21-H117 PolarHBondContact O-N 2.79Å; I21-P119 WeakPolarHBondContact CG1-O 3.48Å
22F98.3Very high94.2Very high4 Ų443.5 Ų43.52%0.01824%0.242CC..EExtended strand (participates in β ladder)trans-138.5162.5-17982.3-72.2000111.8T24 C31 S32 I41 D43 V109 A114 R115 M116F22-T24 HydrophobicContact CD2-CG2 4.32Å; F22-T24 HydrophobicContact CE2-CG2 4.02Å; F22-C31 WeakPolarHBondContact O-CA 3.27Å; F22-S32 WeakPolarHBondContact CD1-O 3.29Å; F22-S32 PolarHBondContact N-O 3.05Å; F22-S32 PolarHBondContact O-N 2.82Å; F22-I41 HydrophobicContact CB-CD1 4.26Å; F22-I41 HydrophobicContact CD1-CG2 3.83Å; F22-I41 HydrophobicContact CD2-CD1 4.15Å; F22-I41 HydrophobicContact CE1-CG2 3.75Å; F22-I41 HydrophobicContact CE2-CG2 4.46Å; F22-I41 HydrophobicContact CG-CD1 4.11Å; F22-I41 HydrophobicContact CG-CG2 4.25Å; F22-I41 HydrophobicContact CZ-CG2 4.08Å; F22-D43 HydrophobicContact CE1-CB 4.26Å; F22-D43 HydrophobicContact CZ-CB 3.87Å; F22-V109 HydrophobicContact CE2-CB 4.19Å; F22-V109 HydrophobicContact CE2-CG1 4.24Å; F22-V109 HydrophobicContact CE2-CG2 4.05Å; F22-V109 HydrophobicContact CZ-CG2 4.34Å; F22-A114 HydrophobicContact CB-CB 4.38Å; F22-A114 HydrophobicContact CD2-CB 3.94Å; F22-R115 CarbonylContact C-O 3.29Å; F22-R115 VanDerWaalsContact CA-O 3.27Å; F22-R115 WeakPolarHBondContact CA-O 3.24Å; F22-M116 HydrophobicContact CB-CE 4.29Å; F22-M116 HydrophobicContact CB-SD 3.74Å
23S97.8Very high94.2Very high3 Ų342.7 Ų42.72%0.02124%0.238CC..EExtended strand (participates in β ladder)trans-137.5161.7167.2620000109R115 H117S23-R115 PolarHBondContact N-O 3.25Å; S23-R115 PolarHBondContact O-N 3.41Å; S23-H117 WeakPolarHBondContact CB-NE2 3.48Å; S23-H117 PolarHBondContact OG-NE2 2.8Å
24T96.2Very high94.2Very high21 Ų2142 Ų4213%0.12923%0.234CC..EExtended strand (participates in β ladder)trans-114.8172.4169.7700000110.4F22 E26 S27 V28 V109F22-T24 HydrophobicContact CD2-CG2 4.32Å; F22-T24 HydrophobicContact CE2-CG2 4.02Å; T24-E26 PolarHBondContact O-N 3Å; T24-E26 PolarHBondContact OG1-N 3.48Å; T24-S27 PolarHBondContact N-OG 3.27Å; T24-S27 VanDerWaalsContact N-OG 3.09Å; T24-S27 CarbonylContact O-C 3.41Å; T24-S27 PolarHBondContact O-N 3.4Å; T24-S27 PolarHBondContact OG1-N 3.12Å; T24-S27 PolarHBondContact OG1-OG 3.41Å; T24-S27 VanDerWaalsContact OG1-OG 3.05Å; T24-V28 WeakPolarHBondContact O-CG2 3.46Å; T24-V28 PolarHBondContact O-N 3.07Å; T24-V28 VanDerWaalsContact O-N 3.12Å; T24-V109 HydrophobicContact CG2-CG1 3.65Å
25A92Very high94.3Very high94 Ų9441.2 Ų41.278%0.77723%0.229SC*.THydrogen-bonded Turntrans-58.3-25.2172.300000113.1V28A25-V28 WeakPolarHBondContact O-CG2 3.4Å
26E86.8Confident94.3Very high194 Ų19437.4 Ų37.491%0.90721%0.212SC*.THydrogen-bonded Turntrans-84.5-20.1178.3-63.1171.1-171.600112.4T24T24-E26 PolarHBondContact O-N 3Å; T24-E26 PolarHBondContact OG1-N 3.48Å
27S85.2Confident94.3Very high33 Ų3337.4 Ų37.423%0.23121%0.212CC..  trans-13034.2-17268.10000113.2T24 K29 S30T24-S27 PolarHBondContact N-OG 3.27Å; T24-S27 VanDerWaalsContact N-OG 3.09Å; T24-S27 CarbonylContact O-C 3.41Å; T24-S27 PolarHBondContact O-N 3.4Å; T24-S27 PolarHBondContact OG1-N 3.12Å; T24-S27 PolarHBondContact OG1-OG 3.41Å; T24-S27 VanDerWaalsContact OG1-OG 3.05Å; S27-K29 PolarHBondContact O-N 2.91Å; S27-S30 WeakPolarHBondContact CB-OG 3.17Å; S27-S30 CarbonylContact O-C 3.59Å; S27-S30 PolarHBondContact O-N 2.79Å; S27-S30 PolarHBondContact O-OG 3.09Å
28V77.1Confident94.3Very high91 Ų9137.7 Ų37.755%0.55221%0.214SC*.THydrogen-bonded Turntrans-54.2-30.4-172.8-175.10000113.6T24 A25T24-V28 WeakPolarHBondContact O-CG2 3.46Å; T24-V28 PolarHBondContact O-N 3.07Å; T24-V28 VanDerWaalsContact O-N 3.12Å; A25-V28 WeakPolarHBondContact O-CG2 3.4Å
29K79.2Confident94.2Very high219 Ų21942.3 Ų42.395%0.95224%0.239SC*.THydrogen-bonded Turntrans-90.8-4.7-179.2-66.3-172.4178.7-178.20114.4S27S27-K29 PolarHBondContact O-N 2.91Å
30S87.4Confident94.2Very high65 Ų6543.9 Ų43.946%0.45525%0.247SC..  trans-130.781.4-173.157.80000110.4S27 S32S27-S30 WeakPolarHBondContact CB-OG 3.17Å; S27-S30 CarbonylContact O-C 3.59Å; S27-S30 PolarHBondContact O-N 2.79Å; S27-S30 PolarHBondContact O-OG 3.09Å; S30-S32 PolarHBondContact O-OG 2.79Å
31C95.8Very high94.2Very high37 Ų3743.9 Ų43.925%0.2525%0.247CC..  trans-59.4139.2170.3-640000110.4I21 F22 P66I21-C31 HydrophobicContact CG2-CB 3.64Å; F22-C31 WeakPolarHBondContact O-CA 3.27Å; C31-P66 HydrophobicContact CB-CB 4.09Å; C31-P66 WeakPolarHBondContact O-CA 3.06Å
32S96.8Very high94.2Very high18 Ų1843.8 Ų43.813%0.12625%0.246CC..EExtended strand (participates in β ladder)trans-132152.7-177.7-58.70000110.8I21 F22 S30 G34I21-S32 WeakPolarHBondContact CA-O 3.2Å; F22-S32 WeakPolarHBondContact CD1-O 3.29Å; F22-S32 PolarHBondContact N-O 3.05Å; F22-S32 PolarHBondContact O-N 2.82Å; S30-S32 PolarHBondContact O-OG 2.79Å; S32-G34 PolarHBondContact O-N 3.21Å
33I98.5Very high94.2Very high0 Ų044.2 Ų44.20%025%0.249CC..EExtended strand (participates in β ladder)trans-70.6122.7171-63.5167.9000108.6Y19 I21 V44 L68Y19-I33 HydrophobicContact CD1-CG2 4.13Å; I21-I33 HydrophobicContact CD1-CB 4.37Å; I21-I33 HydrophobicContact CD1-CG1 3.6Å; I33-V44 HydrophobicContact CB-CB 4.31Å; I33-V44 HydrophobicContact CG2-CB 4.14Å; I33-V44 HydrophobicContact CG2-CG2 3.9Å; I33-V44 WeakPolarHBondContact O-CB 3.33Å; I33-V44 WeakPolarHBondContact O-CG2 3.41Å; I33-V44 PolarHBondContact O-N 3.19Å; I33-L68 HydrophobicContact CB-CD2 4.46Å; I33-L68 HydrophobicContact CD1-CD2 3.98Å; I33-L68 HydrophobicContact CG1-CD2 3.88Å; I33-L68 HydrophobicContact CG2-CD2 3.76Å
34G98.6Very high94.2Very high0 Ų044.1 Ų44.10%025%0.248CC..EExtended strand (participates in β ladder)trans-113.6152.4175.800000111.8Y19 G20 S32 L42Y19-G34 WeakPolarHBondContact CA-O 3.34Å; G20-G34 PolarHBondContact N-O 3.08Å; G20-G34 PolarHBondContact O-N 3.28Å; S32-G34 PolarHBondContact O-N 3.21Å; G34-L42 CarbonylContact C-O 3.48Å; G34-L42 VanDerWaalsContact CA-O 3.31Å; G34-L42 WeakPolarHBondContact CA-O 3.27Å
35V98.9Very high94.2Very high0 Ų044.8 Ų44.80%025%0.253CS..EExtended strand (participates in β ladder)trans-122.5122.8169.2171.80000109.4L17 P18 Y19 I41 L42 V44 L86L17-V35 HydrophobicContact CB-CG1 3.64Å; L17-V35 HydrophobicContact CD2-CG1 3.88Å; L17-V35 HydrophobicContact CG-CG1 4.31Å; P18-V35 WeakPolarHBondContact O-CA 3.26Å; Y19-V35 HydrophobicContact CD1-CG2 3.78Å; Y19-V35 HydrophobicContact CE1-CG2 3.85Å; Y19-V35 HydrophobicContact CG-CG2 4.37Å; V35-I41 WeakPolarHBondContact O-CA 3.06Å; V35-L42 HydrophobicContact CB-CB 4.46Å; V35-L42 PolarHBondContact N-O 3.13Å; V35-L42 PolarHBondContact O-N 3.02Å; V35-V44 HydrophobicContact CB-CG2 4.46Å; V35-V44 HydrophobicContact CG2-CG2 3.68Å; V35-L86 HydrophobicContact CG2-CD1 3.85Å; V35-L86 HydrophobicContact CG2-CD2 4.24Å
36A98.9Very high94.4Very high0 Ų044.8 Ų44.80%024%0.236CC..EExtended strand (participates in β ladder)trans-74.1135.6-179.200000112F12 P18 W264F12-A36 HydrophobicContact CB-CB 4.09Å; F12-A36 HydrophobicContact CD1-CB 3.7Å; F12-A36 HydrophobicContact CD2-CB 4.29Å; F12-A36 HydrophobicContact CE1-CB 4.19Å; F12-A36 HydrophobicContact CG-CB 3.75Å; P18-A36 HydrophobicContact CG-CB 3.86Å; P18-A36 PolarHBondContact O-N 3Å; A36-W264 HydrophobicContact CB-CD2 4Å; A36-W264 HydrophobicContact CB-CE3 4.08Å; A36-W264 HydrophobicContact CB-CH2 4Å; A36-W264 HydrophobicContact CB-CZ2 3.88Å; A36-W264 HydrophobicContact CB-CZ3 4.09Å
37I98.8Very high95Very high0 Ų035.6 Ų35.60%019%0.193CC..EExtended strand (participates in β ladder)trans-149.9115.6175.2179.162.2000110V4 V6 L14 L17 D39 Q40 L90 L108V4-I37 HydrophobicContact CB-CG1 3.98Å; V4-I37 HydrophobicContact CG1-CG1 4.21Å; V4-I37 HydrophobicContact CG1-CG2 4.46Å; V4-I37 HydrophobicContact CG2-CG1 4.31Å; V4-I37 HydrophobicContact CG2-CG2 4.31Å; V6-I37 HydrophobicContact CG2-CD1 3.81Å; V6-I37 HydrophobicContact CG2-CG1 4.41Å; L14-I37 HydrophobicContact CB-CD1 4.38Å; L17-I37 HydrophobicContact CD2-CB 4.34Å; L17-I37 HydrophobicContact CD2-CD1 4.2Å; I37-D39 PolarHBondContact O-N 3.45Å; I37-Q40 HydrophobicContact CG2-CB 4.27Å; I37-Q40 PolarHBondContact N-O 2.6Å; I37-Q40 WeakPolarHBondContact O-CA 3.32Å; I37-Q40 WeakPolarHBondContact O-CB 3.46Å; I37-Q40 PolarHBondContact O-N 3.43Å; I37-L90 HydrophobicContact CB-CD1 4.28Å; I37-L90 HydrophobicContact CG1-CD1 4.36Å; I37-L90 HydrophobicContact CG2-CD1 4.28Å; I37-L90 HydrophobicContact CG2-CD2 4.16Å; I37-L108 HydrophobicContact CG2-CD2 4.44Å
38G98.2Very high95.5Very high6 Ų634.5 Ų34.56%0.06219%0.186CC..THydrogen-bonded Turntrans59-123.8-171.900000111F12 Q111F12-G38 WeakPolarHBondContact CD2-O 3.49Å; F12-G38 PolarHBondContact O-N 2.93Å; G38-Q111 PolarHBondContact O-NE2 2.95Å
39D98.2Very high96.5Very high98 Ų9834.2 Ų34.252%0.52418%0.179SC..THydrogen-bonded Turntrans-9810.1173633.1000113.1I37 Q111I37-D39 PolarHBondContact O-N 3.45Å; D39-Q111 WeakPolarHBondContact O-CB 3.36Å; D39-Q111 WeakPolarHBondContact O-CG 3.47Å; D39-Q111 PolarHBondContact O-N 3.44Å
40Q98.7Very high97.4Very high36 Ų3626.3 Ų26.317%0.16814%0.144CC..EExtended strand (participates in β ladder)trans-108.7164.4-179-54.9-61.7-51.100111.9V4 I37 L108 V109 Q111V4-Q40 HydrophobicContact CG1-CB 4.32Å; V4-Q40 HydrophobicContact CG1-CG 3.81Å; I37-Q40 HydrophobicContact CG2-CB 4.27Å; I37-Q40 PolarHBondContact N-O 2.6Å; I37-Q40 WeakPolarHBondContact O-CA 3.32Å; I37-Q40 WeakPolarHBondContact O-CB 3.46Å; I37-Q40 PolarHBondContact O-N 3.43Å; Q40-L108 HydrophobicContact CB-CD2 4.3Å; Q40-V109 CarbonylContact C-O 3.54Å; Q40-V109 WeakPolarHBondContact CA-O 3.4Å; Q40-V109 VanDerWaalsContact OE1-C 3.28Å; Q40-Q111 PolarHBondContact O-NE2 3.48Å
41I98.7Very high97.9Very high1 Ų123.2 Ų23.21%0.00512%0.123CC..EExtended strand (participates in β ladder)trans-120.5124.8166.5-54.8178.3000107.1F22 V35 L108 V109 Q111 A114 M116 W264F22-I41 HydrophobicContact CB-CD1 4.26Å; F22-I41 HydrophobicContact CD1-CG2 3.83Å; F22-I41 HydrophobicContact CD2-CD1 4.15Å; F22-I41 HydrophobicContact CE1-CG2 3.75Å; F22-I41 HydrophobicContact CE2-CG2 4.46Å; F22-I41 HydrophobicContact CG-CD1 4.11Å; F22-I41 HydrophobicContact CG-CG2 4.25Å; F22-I41 HydrophobicContact CZ-CG2 4.08Å; V35-I41 WeakPolarHBondContact O-CA 3.06Å; I41-L108 WeakPolarHBondContact O-CA 3.47Å; I41-V109 PolarHBondContact N-O 3.5Å; I41-V109 PolarHBondContact O-N 3.47Å; I41-Q111 HydrophobicContact CD1-CG 4.13Å; I41-Q111 HydrophobicContact CG1-CG 3.59Å; I41-A114 HydrophobicContact CD1-CB 3.35Å; I41-M116 HydrophobicContact CD1-SD 3.99Å; I41-W264 HydrophobicContact CB-CH2 4.44Å; I41-W264 HydrophobicContact CD1-CH2 3.75Å; I41-W264 HydrophobicContact CD1-CZ2 3.76Å; I41-W264 HydrophobicContact CG1-CH2 3.78Å; I41-W264 HydrophobicContact CG1-CZ2 3.87Å; I41-W264 HydrophobicContact CG2-CH2 3.95Å
42L98.7Very high98Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-81.6113.9166179.668.4000109.2G34 V35 V44 V47 L86 L90 I97 A107 L108G34-L42 CarbonylContact C-O 3.48Å; G34-L42 VanDerWaalsContact CA-O 3.31Å; G34-L42 WeakPolarHBondContact CA-O 3.27Å; V35-L42 HydrophobicContact CB-CB 4.46Å; V35-L42 PolarHBondContact N-O 3.13Å; V35-L42 PolarHBondContact O-N 3.02Å; L42-V44 PolarHBondContact O-N 3.23Å; L42-V44 VanDerWaalsContact O-N 3.16Å; L42-V47 HydrophobicContact CD1-CG1 4.2Å; L42-V47 HydrophobicContact CD1-CG2 4.29Å; L42-V47 HydrophobicContact CD2-CG2 4.16Å; L42-V47 HydrophobicContact CG-CG2 4.21Å; L42-L86 HydrophobicContact CD2-CD2 3.61Å; L42-L90 HydrophobicContact CD2-CD1 4.14Å; L42-L90 HydrophobicContact CD2-CD2 4.17Å; L42-L90 HydrophobicContact CD2-CG 4.17Å; L42-I97 HydrophobicContact CD1-CD1 4.08Å; L42-A107 CarbonylContact C-O 3.54Å; L42-A107 WeakPolarHBondContact CA-O 3.44Å; L42-A107 HydrophobicContact CD1-CB 4.03Å; L42-L108 HydrophobicContact CB-CD2 4.15Å; L42-L108 HydrophobicContact CD1-CD2 3.97Å
43D98Very high98Very high13 Ų1326.4 Ų26.47%0.0714%0.144CC..EExtended strand (participates in β ladder)trans-69.1103.5169.9-172.9-18.9000109.5F22 S45 K46 A107F22-D43 HydrophobicContact CE1-CB 4.26Å; F22-D43 HydrophobicContact CZ-CB 3.87Å; D43-S45 PolarHBondContact O-N 3.09Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.49Å; D43-S45 PolarHBondContact OD1-N 3.27Å; D43-S45 PolarHBondContact OD1-OG 3.18Å; D43-S45 PolarHBondContact OD2-OG 3.44Å; D43-K46 HydrophobicContact CB-CB 4.47Å; D43-K46 HydrophobicContact CB-CG 3.82Å; D43-K46 PolarHBondContact O-N 3.28Å; D43-K46 VanDerWaalsContact O-N 3.13Å; D43-K46 WeakPolarHBondContact OD2-CE 3.4Å; D43-A107 PolarHBondContact N-O 3.18Å
44V98.3Very high98Very high0 Ų031.5 Ų31.50%018%0.177CC..G310 helixtrans-63.5-28.8-175.3-176.80000110.9I33 V35 L42 K46 V47 A48 F51 L63I33-V44 HydrophobicContact CB-CB 4.31Å; I33-V44 HydrophobicContact CG2-CB 4.14Å; I33-V44 HydrophobicContact CG2-CG2 3.9Å; I33-V44 WeakPolarHBondContact O-CB 3.33Å; I33-V44 WeakPolarHBondContact O-CG2 3.41Å; I33-V44 PolarHBondContact O-N 3.19Å; V35-V44 HydrophobicContact CB-CG2 4.46Å; V35-V44 HydrophobicContact CG2-CG2 3.68Å; L42-V44 PolarHBondContact O-N 3.23Å; L42-V44 VanDerWaalsContact O-N 3.16Å; V44-K46 PolarHBondContact O-N 3.11Å; V44-V47 CarbonylContact O-C 3.58Å; V44-V47 WeakPolarHBondContact O-CG2 3.27Å; V44-V47 PolarHBondContact O-N 3.22Å; V44-V47 VanDerWaalsContact O-N 3.16Å; V44-A48 PolarHBondContact O-N 3.16Å; V44-F51 HydrophobicContact CG1-CE2 4Å; V44-F51 HydrophobicContact CG1-CZ 3.99Å; V44-L63 HydrophobicContact CG1-CB 3.96Å; V44-L63 HydrophobicContact CG1-CD1 4.36Å; V44-L63 HydrophobicContact CG1-CD2 4.41Å; V44-L63 HydrophobicContact CG1-CG 4.48Å
45S96Very high98Very high35 Ų3535.6 Ų35.625%0.24520%0.196CC..G310 helixtrans-63.2-30.617977.80000112.6D43 V47D43-S45 PolarHBondContact O-N 3.09Å; D43-S45 VanDerWaalsContact OD1-CB 3.29Å; D43-S45 WeakPolarHBondContact OD1-CB 3.49Å; D43-S45 PolarHBondContact OD1-N 3.27Å; D43-S45 PolarHBondContact OD1-OG 3.18Å; D43-S45 PolarHBondContact OD2-OG 3.44Å; S45-V47 VanDerWaalsContact C-N 3.31Å
46K96.6Very high97.9Very high95 Ų9535.6 Ų35.641%0.41320%0.196SC..G310 helixtrans-78.5-16.7-179.9-55.8-60.1-179.4-175.80113.6D43 V44 Q49 L103 A107D43-K46 HydrophobicContact CB-CB 4.47Å; D43-K46 HydrophobicContact CB-CG 3.82Å; D43-K46 PolarHBondContact O-N 3.28Å; D43-K46 VanDerWaalsContact O-N 3.13Å; D43-K46 WeakPolarHBondContact OD2-CE 3.4Å; V44-K46 PolarHBondContact O-N 3.11Å; K46-Q49 PolarHBondContact O-NE2 3.26Å; K46-Q49 VanDerWaalsContact O-NE2 3.08Å; K46-Q49 PolarHBondContact O-OE1 2.95Å; K46-Q49 VanDerWaalsContact O-OE1 3.09Å; K46-L103 WeakPolarHBondContact O-CD1 3.25Å; K46-A107 HydrophobicContact CB-CB 3.76Å; K46-A107 HydrophobicContact CG-CB 4.39Å
47V97.7Very high97.8Very high0 Ų037.6 Ų37.60%021%0.21CC..THydrogen-bonded Turntrans-120.57-177.1-640000112.6L42 V44 S45 Q49 F50 F51 L89 I97 L103 A107L42-V47 HydrophobicContact CD1-CG1 4.2Å; L42-V47 HydrophobicContact CD1-CG2 4.29Å; L42-V47 HydrophobicContact CD2-CG2 4.16Å; L42-V47 HydrophobicContact CG-CG2 4.21Å; V44-V47 CarbonylContact O-C 3.58Å; V44-V47 WeakPolarHBondContact O-CG2 3.27Å; V44-V47 PolarHBondContact O-N 3.22Å; V44-V47 VanDerWaalsContact O-N 3.16Å; S45-V47 VanDerWaalsContact C-N 3.31Å; V47-Q49 VanDerWaalsContact CA-OE1 3.3Å; V47-Q49 PolarHBondContact O-N 3.05Å; V47-F50 HydrophobicContact CB-CD2 3.99Å; V47-F50 HydrophobicContact CB-CE2 4.49Å; V47-F50 HydrophobicContact CG1-CD2 4.42Å; V47-F50 HydrophobicContact CG1-CE2 4.47Å; V47-F50 WeakPolarHBondContact O-CD2 3.33Å; V47-F50 PolarHBondContact O-N 3.06Å; V47-F51 HydrophobicContact CG2-CE2 4.26Å; V47-F51 WeakPolarHBondContact O-CD2 3.43Å; V47-L89 HydrophobicContact CB-CD1 4.44Å; V47-I97 HydrophobicContact CG1-CD1 3.69Å; V47-I97 HydrophobicContact CG1-CG1 4.2Å; V47-L103 HydrophobicContact CG1-CD1 4.23Å; V47-L103 HydrophobicContact CG1-CD2 4.49Å; V47-A107 HydrophobicContact CG1-CB 4.06Å
48A97.4Very high97.7Very high10 Ų1048 Ų488%0.08325%0.249CC..G310 helixtrans-54.5-28.2-179.600000113V44 F50 F51 R60 T64V44-A48 PolarHBondContact O-N 3.16Å; A48-F50 PolarHBondContact O-N 3.09Å; A48-F51 PolarHBondContact O-N 2.99Å; A48-R60 WeakPolarHBondContact O-CD 3.34Å; A48-T64 HydrophobicContact CB-CG2 4.11Å
49Q96.5Very high97.7Very high85 Ų8554.5 Ų54.540%0.39727%0.272SS..G310 helixtrans-61.5-23.2176.769.1-81.918.300114.2K46 V47 V52K46-Q49 PolarHBondContact O-NE2 3.26Å; K46-Q49 VanDerWaalsContact O-NE2 3.08Å; K46-Q49 PolarHBondContact O-OE1 2.95Å; K46-Q49 VanDerWaalsContact O-OE1 3.09Å; V47-Q49 VanDerWaalsContact CA-OE1 3.3Å; V47-Q49 PolarHBondContact O-N 3.05Å; Q49-V52 VanDerWaalsContact O-CG1 3.27Å; Q49-V52 WeakPolarHBondContact O-CG1 3.47Å
50F98Very high97.6Very high53 Ų5354.6 Ų54.623%0.23227%0.265CS..G310 helixtrans-86.3-7.4-178.8-63.5-71.6000114V47 A48 V52 L89 A96 L103V47-F50 HydrophobicContact CB-CD2 3.99Å; V47-F50 HydrophobicContact CB-CE2 4.49Å; V47-F50 HydrophobicContact CG1-CD2 4.42Å; V47-F50 HydrophobicContact CG1-CE2 4.47Å; V47-F50 WeakPolarHBondContact O-CD2 3.33Å; V47-F50 PolarHBondContact O-N 3.06Å; A48-F50 PolarHBondContact O-N 3.09Å; F50-V52 VanDerWaalsContact C-N 3.27Å; F50-V52 PolarHBondContact O-N 2.7Å; F50-L89 HydrophobicContact CB-CD1 3.82Å; F50-L89 HydrophobicContact CB-CD2 3.98Å; F50-L89 HydrophobicContact CB-CG 4.41Å; F50-L89 HydrophobicContact CD1-CD2 4.23Å; F50-L89 HydrophobicContact CD2-CD1 4.26Å; F50-L89 HydrophobicContact CD2-CD2 4.09Å; F50-L89 HydrophobicContact CG-CD1 4.28Å; F50-L89 HydrophobicContact CG-CD2 3.84Å; F50-A96 HydrophobicContact CD1-CB 4.47Å; F50-A96 HydrophobicContact CE1-CB 3.9Å; F50-A96 HydrophobicContact CZ-CB 4.09Å; F50-L103 HydrophobicContact CE2-CD2 3.71Å; F50-L103 HydrophobicContact CZ-CD2 4.03Å
51F98.3Very high97.5Very high1 Ų156 Ų560%0.00428%0.279CS..  trans-85.170.8176.1-62.1-96.2000110V44 V47 A48 L56 S57 R60 L63 A82 T85 L86V44-F51 HydrophobicContact CG1-CE2 4Å; V44-F51 HydrophobicContact CG1-CZ 3.99Å; V47-F51 HydrophobicContact CG2-CE2 4.26Å; V47-F51 WeakPolarHBondContact O-CD2 3.43Å; A48-F51 PolarHBondContact O-N 2.99Å; F51-L56 HydrophobicContact CB-CB 4.08Å; F51-L56 HydrophobicContact CB-CD1 4.23Å; F51-L56 HydrophobicContact CD1-CD1 3.61Å; F51-L56 HydrophobicContact CE1-CD1 4.46Å; F51-L56 HydrophobicContact CG-CD1 4.33Å; F51-S57 WeakPolarHBondContact O-CA 3.46Å; F51-R60 HydrophobicContact CB-CG 4.23Å; F51-R60 VanDerWaalsContact O-CD 3.27Å; F51-R60 WeakPolarHBondContact O-CD 3.26Å; F51-R60 WeakPolarHBondContact O-CG 3.47Å; F51-L63 HydrophobicContact CB-CD1 4.03Å; F51-L63 HydrophobicContact CD1-CD1 3.79Å; F51-L63 HydrophobicContact CD2-CD1 3.72Å; F51-L63 HydrophobicContact CE1-CD1 4.08Å; F51-L63 HydrophobicContact CE2-CD1 4.02Å; F51-L63 HydrophobicContact CG-CD1 3.57Å; F51-L63 HydrophobicContact CZ-CD1 4.18Å; F51-A82 HydrophobicContact CD1-CB 4.47Å; F51-A82 HydrophobicContact CE1-CB 4.1Å; F51-T85 HydrophobicContact CD1-CG2 3.67Å; F51-T85 HydrophobicContact CD2-CG2 4.41Å; F51-T85 HydrophobicContact CE1-CG2 3.79Å; F51-T85 HydrophobicContact CG-CG2 4.04Å; F51-T85 HydrophobicContact CZ-CG2 4.23Å; F51-L86 HydrophobicContact CE1-CG 4.15Å; F51-L86 HydrophobicContact CZ-CD2 3.9Å; F51-L86 HydrophobicContact CZ-CG 3.98Å
52V97.6Very high97.5Very high102 Ų10256.2 Ų56.262%0.61828%0.28SS*.  trans-99.37.3-172.7-61.90000113.9Q49 F50Q49-V52 VanDerWaalsContact O-CG1 3.27Å; Q49-V52 WeakPolarHBondContact O-CG1 3.47Å; F50-V52 VanDerWaalsContact C-N 3.27Å; F50-V52 PolarHBondContact O-N 2.7Å
53G97.8Very high97.4Very high19 Ų1956.3 Ų56.320%0.19628%0.28CS..SBendtrans-73.1170.6-179.500000113.3E55 L56 S57 E81G53-E55 PolarHBondContact O-N 2.92Å; G53-L56 PolarHBondContact O-N 3.32Å; G53-S57 WeakPolarHBondContact O-CB 3.27Å; G53-S57 PolarHBondContact O-N 3.03Å; G53-S57 PolarHBondContact O-OG 3.09Å; G53-E81 VanDerWaalsContact C-OE1 3.25Å; G53-E81 VanDerWaalsContact C-OE2 3.29Å; G53-E81 VanDerWaalsContact CA-CD 3.43Å; G53-E81 WeakPolarHBondContact CA-OE1 3.42Å; G53-E81 WeakPolarHBondContact CA-OE2 3.5Å; G53-E81 PolarHBondContact N-OE1 2.71Å
54P98Very high97.4Very high107 Ų10759.1 Ų59.170%0.69530%0.298SS*.THydrogen-bonded Turntrans-60-34.1-176.124.7-34.9000113.1E81P54-E81 WeakPolarHBondContact CD-OE2 3.5Å
55E98.1Very high97.3Very high87 Ų8762.1 Ų62.141%0.40731%0.311SS..THydrogen-bonded Turntrans-81.8-32.7-175-54.2-55.7147.900112.3G53 W59 A77 A78 E81G53-E55 PolarHBondContact O-N 2.92Å; E55-W59 VanDerWaalsContact O-CD1 3.3Å; E55-A77 HydrophobicContact CG-CB 3.92Å; E55-A78 HydrophobicContact CB-CB 4.25Å; E55-E81 HydrophobicContact CB-CB 4.25Å; E55-E81 WeakPolarHBondContact CB-OE2 3.45Å; E55-E81 HydrophobicContact CG-CB 4.49Å; E55-E81 WeakPolarHBondContact CG-OE2 3.45Å; E55-E81 PolarHBondContact N-OE2 3.25Å
56L98.1Very high97.3Very high0 Ų063.9 Ų63.90%032%0.322CS..THydrogen-bonded Turntrans-109-23.4-174.6-65.4167.8000114.6F51 G53 R58 W59 R60 F71 L74 A78 E81 A82F51-L56 HydrophobicContact CB-CB 4.08Å; F51-L56 HydrophobicContact CB-CD1 4.23Å; F51-L56 HydrophobicContact CD1-CD1 3.61Å; F51-L56 HydrophobicContact CE1-CD1 4.46Å; F51-L56 HydrophobicContact CG-CD1 4.33Å; G53-L56 PolarHBondContact O-N 3.32Å; L56-R58 PolarHBondContact O-N 3.08Å; L56-W59 CarbonylContact O-C 3.59Å; L56-W59 VanDerWaalsContact O-C 3.29Å; L56-W59 WeakPolarHBondContact O-CA 3.31Å; L56-W59 PolarHBondContact O-N 2.8Å; L56-R60 VanDerWaalsContact O-CG 3.26Å; L56-R60 WeakPolarHBondContact O-CG 3.47Å; L56-R60 PolarHBondContact O-N 2.82Å; L56-F71 HydrophobicContact CD2-CE2 4.34Å; L56-L74 HydrophobicContact CD2-CD1 3.8Å; L56-A78 HydrophobicContact CD2-CB 3.86Å; L56-A78 HydrophobicContact CG-CB 4.43Å; L56-E81 VanDerWaalsContact CB-OE1 3.23Å; L56-E81 WeakPolarHBondContact CB-OE1 3.16Å; L56-E81 HydrophobicContact CD1-CB 4.17Å; L56-E81 HydrophobicContact CD1-CG 4.12Å; L56-E81 PolarHBondContact N-OE1 2.84Å; L56-A82 HydrophobicContact CD1-CB 3.72Å
57S97Very high97.4Very high41 Ų4161 Ų6129%0.28731%0.313SS..THydrogen-bonded Turntrans-51.8-38.8-172.754.80000114F51 G53 R60F51-S57 WeakPolarHBondContact O-CA 3.46Å; G53-S57 WeakPolarHBondContact O-CB 3.27Å; G53-S57 PolarHBondContact O-N 3.03Å; G53-S57 PolarHBondContact O-OG 3.09Å; S57-R60 PolarHBondContact O-NE 2.83Å; S57-R60 VanDerWaalsContact O-NE 3.08Å
58R96.4Very high97.5Very high218 Ų21861 Ų6182%0.82331%0.313SS*.THydrogen-bonded Turntrans-82.9-22.1176.8-64.5-176.5178.9-178.30.5114.1L56L56-R58 PolarHBondContact O-N 3.08Å
59W97.4Very high97.5Very high144 Ų14462 Ų6255%0.54532%0.316SS..THydrogen-bonded Turntrans-111.814.1-175.5-54.2116.3000113E55 L56 S61 T62 L74E55-W59 VanDerWaalsContact O-CD1 3.3Å; L56-W59 CarbonylContact O-C 3.59Å; L56-W59 VanDerWaalsContact O-C 3.29Å; L56-W59 WeakPolarHBondContact O-CA 3.31Å; L56-W59 PolarHBondContact O-N 2.8Å; W59-S61 PolarHBondContact O-N 2.9Å; W59-T62 HydrophobicContact CB-CG2 4.29Å; W59-T62 WeakPolarHBondContact O-CB 3.39Å; W59-T62 WeakPolarHBondContact O-CG2 3.41Å; W59-T62 PolarHBondContact O-N 2.96Å; W59-T62 PolarHBondContact O-OG1 3.06Å; W59-L74 HydrophobicContact CB-CD1 3.86Å; W59-L74 HydrophobicContact CB-CD2 4.04Å; W59-L74 HydrophobicContact CD2-CD2 4.3Å; W59-L74 HydrophobicContact CG-CD2 3.94Å
60R96.2Very high97.6Very high100 Ų10061.8 Ų61.838%0.37732%0.316SS..G310 helixtrans-52.9-29.9-179.6-76.4-174.8-73.3163.55113.6A48 F51 L56 S57 T62 L63A48-R60 WeakPolarHBondContact O-CD 3.34Å; F51-R60 HydrophobicContact CB-CG 4.23Å; F51-R60 VanDerWaalsContact O-CD 3.27Å; F51-R60 WeakPolarHBondContact O-CD 3.26Å; F51-R60 WeakPolarHBondContact O-CG 3.47Å; L56-R60 VanDerWaalsContact O-CG 3.26Å; L56-R60 WeakPolarHBondContact O-CG 3.47Å; L56-R60 PolarHBondContact O-N 2.82Å; S57-R60 PolarHBondContact O-NE 2.83Å; S57-R60 VanDerWaalsContact O-NE 3.08Å; R60-T62 PolarHBondContact O-N 2.83Å; R60-L63 WeakPolarHBondContact O-CB 3.5Å; R60-L63 PolarHBondContact O-N 3.04Å; R60-L63 VanDerWaalsContact O-N 3.09Å
61S97.2Very high97.7Very high66 Ų6659.3 Ų59.346%0.46230%0.304SS..G310 helixtrans-59-29.1176.552.40000112.9W59 L63 T64W59-S61 PolarHBondContact O-N 2.9Å; S61-L63 PolarHBondContact O-N 3.21Å; S61-T64 PolarHBondContact O-N 2.75Å; S61-T64 VanDerWaalsContact O-N 3.11Å; S61-T64 PolarHBondContact O-OG1 2.88Å
62T97.9Very high97.7Very high5 Ų559.2 Ų59.23%0.03130%0.304CS..G310 helixtrans-61.9-30.717664.90000112.4W59 R60 T64 K65 E70 L74W59-T62 HydrophobicContact CB-CG2 4.29Å; W59-T62 WeakPolarHBondContact O-CB 3.39Å; W59-T62 WeakPolarHBondContact O-CG2 3.41Å; W59-T62 PolarHBondContact O-N 2.96Å; W59-T62 PolarHBondContact O-OG1 3.06Å; R60-T62 PolarHBondContact O-N 2.83Å; T62-T64 PolarHBondContact O-N 3.41Å; T62-K65 WeakPolarHBondContact O-CG 3.3Å; T62-K65 PolarHBondContact O-N 2.84Å; T62-E70 HydrophobicContact CG2-CB 3.88Å; T62-L74 HydrophobicContact CG2-CD1 4.28Å; T62-L74 HydrophobicContact CG2-CD2 4.42Å
63L97.9Very high97.8Very high1 Ų156.7 Ų56.71%0.00529%0.294CS..G310 helixtrans-77.1-2.8178.3-58.6177.3000113.7V44 F51 R60 S61 F71V44-L63 HydrophobicContact CG1-CB 3.96Å; V44-L63 HydrophobicContact CG1-CD1 4.36Å; V44-L63 HydrophobicContact CG1-CD2 4.41Å; V44-L63 HydrophobicContact CG1-CG 4.48Å; F51-L63 HydrophobicContact CB-CD1 4.03Å; F51-L63 HydrophobicContact CD1-CD1 3.79Å; F51-L63 HydrophobicContact CD2-CD1 3.72Å; F51-L63 HydrophobicContact CE1-CD1 4.08Å; F51-L63 HydrophobicContact CE2-CD1 4.02Å; F51-L63 HydrophobicContact CG-CD1 3.57Å; F51-L63 HydrophobicContact CZ-CD1 4.18Å; R60-L63 WeakPolarHBondContact O-CB 3.5Å; R60-L63 PolarHBondContact O-N 3.04Å; R60-L63 VanDerWaalsContact O-N 3.09Å; S61-L63 PolarHBondContact O-N 3.21Å; L63-F71 HydrophobicContact CD2-CD2 3.55Å; L63-F71 HydrophobicContact CD2-CE2 3.83Å; L63-F71 HydrophobicContact CD2-CG 4.07Å
64T96.3Very high97.8Very high73 Ų7358.1 Ų58.145%0.44830%0.297SS..G310 helixtrans-111.46.5179.366.60000112.6A48 S61 T62A48-T64 HydrophobicContact CB-CG2 4.11Å; S61-T64 PolarHBondContact O-N 2.75Å; S61-T64 VanDerWaalsContact O-N 3.11Å; S61-T64 PolarHBondContact O-OG1 2.88Å; T62-T64 PolarHBondContact O-N 3.41Å
65K97.1Very high97.8Very high62 Ų6253.1 Ų53.127%0.2727%0.265SS..SBendtrans-78156.4-178.8-63.6-66.7173138.40111.2T62 T67 E70T62-K65 WeakPolarHBondContact O-CG 3.3Å; T62-K65 PolarHBondContact O-N 2.84Å; K65-T67 PolarHBondContact O-N 2.83Å; K65-E70 WeakPolarHBondContact CD-OE1 3.34Å; K65-E70 VanDerWaalsContact CE-CD 3.44Å; K65-E70 WeakPolarHBondContact CE-OE1 3Å; K65-E70 WeakPolarHBondContact CE-OE2 3.35Å; K65-E70 HydrophobicContact CG-CB 4.31Å; K65-E70 HydrophobicContact CG-CG 4.38Å; K65-E70 VanDerWaalsContact NZ-CD 3.29Å; K65-E70 IonicContact NZ-OE1 2.65Å; K65-E70 PolarHBondContact NZ-OE1 3.45Å; K65-E70 IonicContact NZ-OE2 3.36Å; K65-E70 PolarHBondContact NZ-OE2 2.93Å; K65-E70 VanDerWaalsContact NZ-OE2 3.09Å
66P96.8Very high97.8Very high73 Ų7350.7 Ų50.747%0.47426%0.257SS..SBendtrans-76.6-1.4178.932.6-36.6000113.5I21 C31I21-P66 VanDerWaalsContact CG2-O 3.27Å; I21-P66 WeakPolarHBondContact CG2-O 3.38Å; C31-P66 HydrophobicContact CB-CB 4.09Å; C31-P66 WeakPolarHBondContact O-CA 3.06Å
67T98.1Very high97.9Very high35 Ų3553 Ų5322%0.21528%0.276CS..SBendtrans-145.3160.4179.671.50000109.8K65 N69 V121K65-T67 PolarHBondContact O-N 2.83Å; T67-N69 VanDerWaalsContact C-N 3.31Å; T67-N69 WeakPolarHBondContact CB-OD1 3.41Å; T67-N69 PolarHBondContact O-N 3.12Å; T67-N69 PolarHBondContact OG1-OD1 2.71Å; T67-V121 HydrophobicContact CG2-CG2 3.99Å
68L98.8Very high97.9Very high0 Ų051.2 Ų51.20%026%0.264CS..SBendtrans-75.4-14.6-180-66.8175.4000114Y19 I21 I33 E70 F71 L72 P119 F228 V265Y19-L68 HydrophobicContact CD1-CD2 4.4Å; I21-L68 HydrophobicContact CD1-CG 4.29Å; I33-L68 HydrophobicContact CB-CD2 4.46Å; I33-L68 HydrophobicContact CD1-CD2 3.98Å; I33-L68 HydrophobicContact CG1-CD2 3.88Å; I33-L68 HydrophobicContact CG2-CD2 3.76Å; L68-E70 PolarHBondContact O-N 2.82Å; L68-E70 VanDerWaalsContact O-N 3.13Å; L68-F71 HydrophobicContact CD2-CD1 4.35Å; L68-F71 CarbonylContact O-C 3.49Å; L68-F71 WeakPolarHBondContact O-CA 3.38Å; L68-F71 WeakPolarHBondContact O-CB 3.34Å; L68-F71 PolarHBondContact O-N 2.9Å; L68-L72 HydrophobicContact CB-CD1 4.22Å; L68-L72 HydrophobicContact CB-CD2 4.36Å; L68-L72 HydrophobicContact CB-CG 3.98Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 2.81Å; L68-P119 VanDerWaalsContact CB-O 3.29Å; L68-P119 WeakPolarHBondContact CB-O 3.26Å; L68-P119 HydrophobicContact CD1-CB 3.93Å; L68-P119 VanDerWaalsContact CG-O 3.23Å; L68-P119 WeakPolarHBondContact CG-O 3.33Å; L68-P119 PolarHBondContact N-O 2.73Å; L68-F228 HydrophobicContact CD1-CE1 4.45Å; L68-V265 HydrophobicContact CD1-CG2 4.06Å
69N98.8Very high98.1Very high29 Ų2941.8 Ų41.816%0.15523%0.228CC..Hα-helixtrans-49.8-46.7-167.1-62.180.8000114.6T67 F71 L72 A73 V121 P344T67-N69 VanDerWaalsContact C-N 3.31Å; T67-N69 WeakPolarHBondContact CB-OD1 3.41Å; T67-N69 PolarHBondContact O-N 3.12Å; T67-N69 PolarHBondContact OG1-OD1 2.71Å; N69-F71 VanDerWaalsContact C-N 3.33Å; N69-F71 PolarHBondContact O-N 3.16Å; N69-L72 WeakPolarHBondContact O-CB 3.23Å; N69-L72 PolarHBondContact O-N 3.45Å; N69-A73 PolarHBondContact O-N 3.05Å; N69-V121 PolarHBondContact ND2-O 3.1Å; N69-V121 PolarHBondContact OD1-N 2.94Å; N69-P344 PolarHBondContact ND2-O 3.4Å
70E98.7Very high98.1Very high82 Ų8240.2 Ų40.238%0.38323%0.225SC..Hα-helixtrans-67.8-33.9179.7-70.7-173.9-14400112.4T62 K65 L68T62-E70 HydrophobicContact CG2-CB 3.88Å; K65-E70 WeakPolarHBondContact CD-OE1 3.34Å; K65-E70 VanDerWaalsContact CE-CD 3.44Å; K65-E70 WeakPolarHBondContact CE-OE1 3Å; K65-E70 WeakPolarHBondContact CE-OE2 3.35Å; K65-E70 HydrophobicContact CG-CB 4.31Å; K65-E70 HydrophobicContact CG-CG 4.38Å; K65-E70 VanDerWaalsContact NZ-CD 3.29Å; K65-E70 IonicContact NZ-OE1 2.65Å; K65-E70 PolarHBondContact NZ-OE1 3.45Å; K65-E70 IonicContact NZ-OE2 3.36Å; K65-E70 PolarHBondContact NZ-OE2 2.93Å; K65-E70 VanDerWaalsContact NZ-OE2 3.09Å; L68-E70 PolarHBondContact O-N 2.82Å; L68-E70 VanDerWaalsContact O-N 3.13Å
71F98.8Very high98.2Very high0 Ų036.8 Ų36.80%021%0.213CC..Hα-helixtrans-72.3-38.4173.9174.1-116.2000111.8Y19 L56 L63 L68 N69 A73 L74 W79 A82 F228Y19-F71 HydrophobicContact CD1-CE1 4.15Å; Y19-F71 AromaticContact CE1-CE1 3.78Å; Y19-F71 HydrophobicContact CE1-CE1 3.78Å; Y19-F71 HydrophobicContact CE1-CZ 4.13Å; Y19-F71 HydrophobicContact CE2-CE1 4.41Å; Y19-F71 AromaticContact CZ-CE1 3.91Å; L56-F71 HydrophobicContact CD2-CE2 4.34Å; L63-F71 HydrophobicContact CD2-CD2 3.55Å; L63-F71 HydrophobicContact CD2-CE2 3.83Å; L63-F71 HydrophobicContact CD2-CG 4.07Å; L68-F71 HydrophobicContact CD2-CD1 4.35Å; L68-F71 CarbonylContact O-C 3.49Å; L68-F71 WeakPolarHBondContact O-CA 3.38Å; L68-F71 WeakPolarHBondContact O-CB 3.34Å; L68-F71 PolarHBondContact O-N 2.9Å; N69-F71 VanDerWaalsContact C-N 3.33Å; N69-F71 PolarHBondContact O-N 3.16Å; F71-A73 PolarHBondContact O-N 2.93Å; F71-L74 HydrophobicContact CD2-CD1 4.24Å; F71-L74 PolarHBondContact O-N 3.32Å; F71-W79 AromaticContact CE2-CD1 3.94Å; F71-W79 AromaticContact CZ-CD1 3.73Å; F71-W79 HydrophobicContact CZ-CG 4.44Å; F71-W79 PolarHBondContact O-NE1 2.86Å; F71-W79 VanDerWaalsContact O-NE1 3.12Å; F71-A82 HydrophobicContact CE2-CB 3.91Å; F71-A82 HydrophobicContact CZ-CB 3.77Å; F71-F228 HydrophobicContact CD1-CE2 4.26Å; F71-F228 HydrophobicContact CD1-CZ 4.31Å; F71-F228 AromaticContact CE1-CE2 3.64Å; F71-F228 HydrophobicContact CE1-CE2 3.64Å; F71-F228 AromaticContact CE1-CZ 3.82Å; F71-F228 HydrophobicContact CE1-CZ 3.82Å; F71-F228 HydrophobicContact CZ-CE2 4.43Å
72L98.8Very high98.3Very high0 Ų033.6 Ų33.60%019%0.191CC..Hα-helixtrans-58.6-38.8173.1-63.2-178.3000111L68 N69 L74 G75 W79 A120 L207 G209 P210 F228 P344L68-L72 HydrophobicContact CB-CD1 4.22Å; L68-L72 HydrophobicContact CB-CD2 4.36Å; L68-L72 HydrophobicContact CB-CG 3.98Å; L68-L72 WeakPolarHBondContact O-CG 3.5Å; L68-L72 PolarHBondContact O-N 2.81Å; N69-L72 WeakPolarHBondContact O-CB 3.23Å; N69-L72 PolarHBondContact O-N 3.45Å; L72-L74 PolarHBondContact O-N 3.13Å; L72-G75 PolarHBondContact O-N 3.27Å; L72-W79 VanDerWaalsContact O-CZ2 3.24Å; L72-W79 WeakPolarHBondContact O-CZ2 3.12Å; L72-A120 HydrophobicContact CD1-CB 4.28Å; L72-L207 HydrophobicContact CD1-CB 4.4Å; L72-L207 HydrophobicContact CD1-CD1 4.49Å; L72-G209 CarbonylContact O-C 3.57Å; L72-G209 VanDerWaalsContact O-C 3.31Å; L72-G209 WeakPolarHBondContact O-CA 3.17Å; L72-P210 WeakPolarHBondContact O-CD 3.4Å; L72-F228 HydrophobicContact CD2-CB 3.68Å; L72-F228 HydrophobicContact CD2-CD1 3.2Å; L72-F228 HydrophobicContact CD2-CD2 3.63Å; L72-F228 HydrophobicContact CD2-CE1 3.62Å; L72-F228 HydrophobicContact CD2-CE2 4.01Å; L72-F228 HydrophobicContact CD2-CG 3.2Å; L72-F228 HydrophobicContact CD2-CZ 4Å; L72-P344 HydrophobicContact CB-CB 4.08Å
73A98.7Very high98.4Very high49 Ų4934.8 Ų34.841%0.40520%0.195SC..THydrogen-bonded Turntrans-64.5-20.6-179.700000114.5N69 F71 G75 P344N69-A73 PolarHBondContact O-N 3.05Å; F71-A73 PolarHBondContact O-N 2.93Å; A73-G75 PolarHBondContact O-N 2.88Å; A73-P344 HydrophobicContact CB-CB 4.05Å; A73-P344 HydrophobicContact CB-CG 3.71Å
74L98.6Very high98.4Very high48 Ų4838.2 Ų38.225%0.25122%0.219SC..THydrogen-bonded Turntrans-74.4-23.1-176.1-59.5-176.9000114L56 W59 T62 F71 L72 A78L56-L74 HydrophobicContact CD2-CD1 3.8Å; W59-L74 HydrophobicContact CB-CD1 3.86Å; W59-L74 HydrophobicContact CB-CD2 4.04Å; W59-L74 HydrophobicContact CD2-CD2 4.3Å; W59-L74 HydrophobicContact CG-CD2 3.94Å; T62-L74 HydrophobicContact CG2-CD1 4.28Å; T62-L74 HydrophobicContact CG2-CD2 4.42Å; F71-L74 HydrophobicContact CD2-CD1 4.24Å; F71-L74 PolarHBondContact O-N 3.32Å; L72-L74 PolarHBondContact O-N 3.13Å; L74-A78 HydrophobicContact CB-CB 3.48Å; L74-A78 VanDerWaalsContact CB-CB 3.48Å; L74-A78 HydrophobicContact CD1-CB 3.96Å; L74-A78 HydrophobicContact CG-CB 4.38Å
75G98.5Very high98.5Very high3 Ų335.4 Ų35.43%0.03120%0.202CC..  trans79.3-177.3176.400000116.7L72 A73 A77 A78 W79 P210L72-G75 PolarHBondContact O-N 3.27Å; A73-G75 PolarHBondContact O-N 2.88Å; G75-A77 VanDerWaalsContact C-N 3.34Å; G75-A77 PolarHBondContact O-N 2.89Å; G75-A78 PolarHBondContact O-N 3.47Å; G75-W79 VanDerWaalsContact C-CD2 3.44Å; G75-W79 VanDerWaalsContact C-CE2 3.44Å; G75-W79 VanDerWaalsContact O-CD1 3.24Å; G75-W79 PolarHBondContact O-N 2.68Å; G75-W79 VanDerWaalsContact O-N 3.17Å; G75-W79 PolarHBondContact O-NE1 2.96Å; G75-P210 VanDerWaalsContact CA-CG 3.46Å
76P98.6Very high98.6Very high35 Ų3532.5 Ų32.523%0.22719%0.189CC..Hα-helixtrans-61.6-31.2-162.4-26.433.6000116.2W79 K80 E225P76-W79 HydrophobicContact CB-CE3 4.17Å; P76-W79 HydrophobicContact CB-CZ3 4.39Å; P76-W79 HydrophobicContact CG-CE3 4.15Å; P76-W79 HydrophobicContact CG-CH2 4.49Å; P76-W79 HydrophobicContact CG-CZ3 3.89Å; P76-W79 PolarHBondContact O-N 2.88Å; P76-K80 WeakPolarHBondContact O-CB 3.42Å; P76-K80 VanDerWaalsContact O-CG 3.24Å; P76-K80 WeakPolarHBondContact O-CG 3.47Å; P76-K80 PolarHBondContact O-N 3.47Å; P76-E225 WeakPolarHBondContact CD-O 3.38Å; P76-E225 HydrophobicContact CG-CB 4.06Å; P76-E225 WeakPolarHBondContact CG-O 3.35Å
77A98.5Very high98.7Very high50 Ų5032.1 Ų32.141%0.41318%0.181SC..Hα-helixtrans-64.8-49179.600000110.8E55 G75 W79 K80 E81E55-A77 HydrophobicContact CG-CB 3.92Å; G75-A77 VanDerWaalsContact C-N 3.34Å; G75-A77 PolarHBondContact O-N 2.89Å; A77-W79 PolarHBondContact O-N 3.38Å; A77-K80 PolarHBondContact O-N 2.9Å; A77-E81 PolarHBondContact O-N 3.31Å
78A98.7Very high98.7Very high3 Ų335.2 Ų35.23%0.02519%0.189CC..Hα-helixtrans-63.1-40.3175.700000112.3E55 L56 L74 G75 E81 A82E55-A78 HydrophobicContact CB-CB 4.25Å; L56-A78 HydrophobicContact CD2-CB 3.86Å; L56-A78 HydrophobicContact CG-CB 4.43Å; L74-A78 HydrophobicContact CB-CB 3.48Å; L74-A78 VanDerWaalsContact CB-CB 3.48Å; L74-A78 HydrophobicContact CD1-CB 3.96Å; L74-A78 HydrophobicContact CG-CB 4.38Å; G75-A78 PolarHBondContact O-N 3.47Å; A78-E81 PolarHBondContact O-N 3.21Å; A78-A82 WeakPolarHBondContact O-CB 3.16Å; A78-A82 PolarHBondContact O-N 3.01Å
79W98.7Very high98.7Very high19 Ų1935.2 Ų35.27%0.07219%0.189CC..Hα-helixtrans-64.8-42.4178.5-50.8-24.5000112.6F71 L72 G75 P76 A77 A82 R83 F228F71-W79 AromaticContact CE2-CD1 3.94Å; F71-W79 AromaticContact CZ-CD1 3.73Å; F71-W79 HydrophobicContact CZ-CG 4.44Å; F71-W79 PolarHBondContact O-NE1 2.86Å; F71-W79 VanDerWaalsContact O-NE1 3.12Å; L72-W79 VanDerWaalsContact O-CZ2 3.24Å; L72-W79 WeakPolarHBondContact O-CZ2 3.12Å; G75-W79 VanDerWaalsContact C-CD2 3.44Å; G75-W79 VanDerWaalsContact C-CE2 3.44Å; G75-W79 VanDerWaalsContact O-CD1 3.24Å; G75-W79 PolarHBondContact O-N 2.68Å; G75-W79 VanDerWaalsContact O-N 3.17Å; G75-W79 PolarHBondContact O-NE1 2.96Å; P76-W79 HydrophobicContact CB-CE3 4.17Å; P76-W79 HydrophobicContact CB-CZ3 4.39Å; P76-W79 HydrophobicContact CG-CE3 4.15Å; P76-W79 HydrophobicContact CG-CH2 4.49Å; P76-W79 HydrophobicContact CG-CZ3 3.89Å; P76-W79 PolarHBondContact O-N 2.88Å; A77-W79 PolarHBondContact O-N 3.38Å; W79-A82 PolarHBondContact O-N 3.01Å; W79-R83 WeakPolarHBondContact O-CB 3.33Å; W79-R83 PolarHBondContact O-N 3.28Å; W79-F228 HydrophobicContact CB-CE2 4.5Å; W79-F228 AromaticContact CD2-CD2 3.58Å; W79-F228 HydrophobicContact CD2-CD2 3.58Å; W79-F228 HydrophobicContact CD2-CE2 4.14Å; W79-F228 AromaticContact CE2-CD2 3.57Å; W79-F228 AromaticContact CE3-CD2 3.93Å; W79-F228 HydrophobicContact CE3-CD2 3.93Å; W79-F228 AromaticContact CG-CD2 3.93Å; W79-F228 HydrophobicContact CG-CD2 3.93Å; W79-F228 AromaticContact CG-CE2 3.99Å; W79-F228 HydrophobicContact CG-CE2 3.99Å; W79-F228 HydrophobicContact CH2-CB 3.9Å; W79-F228 HydrophobicContact CH2-CD2 4.3Å; W79-F228 HydrophobicContact CZ2-CB 4.02Å; W79-F228 AromaticContact CZ2-CD2 3.91Å; W79-F228 HydrophobicContact CZ2-CD2 3.91Å; W79-F228 HydrophobicContact CZ2-CG 4.43Å; W79-F228 HydrophobicContact CZ3-CB 4.26Å; W79-F228 HydrophobicContact CZ3-CD2 4.31Å; W79-F228 AromaticContact NE1-CD2 3.89Å
80K98.7Very high98.7Very high112 Ų11233.9 Ų33.949%0.48718%0.182SC..Hα-helixtrans-64.2-42.8175.8-74.4169.4-1731720111.5P76 A77 R83 S84 D269P76-K80 WeakPolarHBondContact O-CB 3.42Å; P76-K80 VanDerWaalsContact O-CG 3.24Å; P76-K80 WeakPolarHBondContact O-CG 3.47Å; P76-K80 PolarHBondContact O-N 3.47Å; A77-K80 PolarHBondContact O-N 2.9Å; K80-R83 PolarHBondContact O-N 3Å; K80-S84 WeakPolarHBondContact O-CB 3.43Å; K80-S84 PolarHBondContact O-N 2.96Å; K80-D269 WeakPolarHBondContact CG-OD2 3.17Å
81E98.8Very high98.6Very high27 Ų2731.4 Ų31.413%0.12617%0.173CC..Hα-helixtrans-62-44.6175.4-173.9179.7114.900111.4G53 P54 E55 L56 A77 A78 S84 T85G53-E81 VanDerWaalsContact C-OE1 3.25Å; G53-E81 VanDerWaalsContact C-OE2 3.29Å; G53-E81 VanDerWaalsContact CA-CD 3.43Å; G53-E81 WeakPolarHBondContact CA-OE1 3.42Å; G53-E81 WeakPolarHBondContact CA-OE2 3.5Å; G53-E81 PolarHBondContact N-OE1 2.71Å; P54-E81 WeakPolarHBondContact CD-OE2 3.5Å; E55-E81 HydrophobicContact CB-CB 4.25Å; E55-E81 WeakPolarHBondContact CB-OE2 3.45Å; E55-E81 HydrophobicContact CG-CB 4.49Å; E55-E81 WeakPolarHBondContact CG-OE2 3.45Å; E55-E81 PolarHBondContact N-OE2 3.25Å; L56-E81 VanDerWaalsContact CB-OE1 3.23Å; L56-E81 WeakPolarHBondContact CB-OE1 3.16Å; L56-E81 HydrophobicContact CD1-CB 4.17Å; L56-E81 HydrophobicContact CD1-CG 4.12Å; L56-E81 PolarHBondContact N-OE1 2.84Å; A77-E81 PolarHBondContact O-N 3.31Å; A78-E81 PolarHBondContact O-N 3.21Å; E81-S84 PolarHBondContact O-N 3.2Å; E81-T85 WeakPolarHBondContact O-CB 3.37Å; E81-T85 PolarHBondContact O-N 3.07Å; E81-T85 PolarHBondContact O-OG1 3Å
82A98.8Very high98.6Very high0 Ų036.5 Ų36.50%020%0.196CC..Hα-helixtrans-59.4-49.3176.700000110.9Y19 F51 L56 F71 A78 W79 S84 T85 L86Y19-A82 WeakPolarHBondContact OH-CB 3.14Å; F51-A82 HydrophobicContact CD1-CB 4.47Å; F51-A82 HydrophobicContact CE1-CB 4.1Å; L56-A82 HydrophobicContact CD1-CB 3.72Å; F71-A82 HydrophobicContact CE2-CB 3.91Å; F71-A82 HydrophobicContact CZ-CB 3.77Å; A78-A82 WeakPolarHBondContact O-CB 3.16Å; A78-A82 PolarHBondContact O-N 3.01Å; W79-A82 PolarHBondContact O-N 3.01Å; A82-S84 PolarHBondContact O-N 2.93Å; A82-T85 PolarHBondContact O-N 3.29Å; A82-L86 WeakPolarHBondContact O-CB 3.46Å; A82-L86 WeakPolarHBondContact O-CD1 3.43Å; A82-L86 VanDerWaalsContact O-CG 3.26Å; A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.19Å
83R98.8Very high98.5Very high30 Ų3042.6 Ų42.611%0.11323%0.228CC..Hα-helixtrans-58.4-48.6178-179.4173.9-179.476.5-3.3112E15 N16 W79 K80 T85 L86 Q87E15-R83 PolarHBondContact O-NH2 3.18Å; N16-R83 PolarHBondContact O-NH1 2.8Å; W79-R83 WeakPolarHBondContact O-CB 3.33Å; W79-R83 PolarHBondContact O-N 3.28Å; K80-R83 PolarHBondContact O-N 3Å; R83-T85 VanDerWaalsContact C-N 3.32Å; R83-T85 PolarHBondContact O-N 2.87Å; R83-L86 PolarHBondContact O-N 2.95Å; R83-Q87 HydrophobicContact CG-CG 4.43Å; R83-Q87 WeakPolarHBondContact O-CB 3.41Å; R83-Q87 VanDerWaalsContact O-CG 3.29Å; R83-Q87 WeakPolarHBondContact O-CG 3.29Å; R83-Q87 PolarHBondContact O-N 2.97Å
84S98.6Very high98.5Very high73 Ų7342.2 Ų42.251%0.5122%0.218SC..Hα-helixtrans-60.2-43.1177.9-178.50000111.6K80 E81 A82 Q87 R88K80-S84 WeakPolarHBondContact O-CB 3.43Å; K80-S84 PolarHBondContact O-N 2.96Å; E81-S84 PolarHBondContact O-N 3.2Å; A82-S84 PolarHBondContact O-N 2.93Å; S84-Q87 PolarHBondContact O-N 3.39Å; S84-R88 WeakPolarHBondContact O-CB 3.48Å; S84-R88 PolarHBondContact O-N 3.07Å
85T98.6Very high98.4Very high13 Ų1342.8 Ų42.88%0.0823%0.226CC..Hα-helixtrans-62.2-47.2176.6-600000111.4F51 E81 A82 R83 R88 L89F51-T85 HydrophobicContact CD1-CG2 3.67Å; F51-T85 HydrophobicContact CD2-CG2 4.41Å; F51-T85 HydrophobicContact CE1-CG2 3.79Å; F51-T85 HydrophobicContact CG-CG2 4.04Å; F51-T85 HydrophobicContact CZ-CG2 4.23Å; E81-T85 WeakPolarHBondContact O-CB 3.37Å; E81-T85 PolarHBondContact O-N 3.07Å; E81-T85 PolarHBondContact O-OG1 3Å; A82-T85 PolarHBondContact O-N 3.29Å; R83-T85 VanDerWaalsContact C-N 3.32Å; R83-T85 PolarHBondContact O-N 2.87Å; T85-R88 PolarHBondContact O-N 3.4Å; T85-L89 HydrophobicContact CG2-CD1 3.9Å; T85-L89 HydrophobicContact CG2-CG 4.29Å; T85-L89 WeakPolarHBondContact O-CB 3.23Å; T85-L89 VanDerWaalsContact O-CG 3.26Å; T85-L89 WeakPolarHBondContact O-CG 3.46Å; T85-L89 PolarHBondContact O-N 2.91Å
86L98.7Very high98.4Very high1 Ų143.7 Ų43.71%0.00523%0.233CC..Hα-helixtrans-63-44.2177.7-71.3163.1000112.1L17 Y19 V35 L42 F51 A82 R83 R88 L89 L90L17-L86 HydrophobicContact CD1-CB 4.08Å; Y19-L86 HydrophobicContact CE1-CD1 4Å; Y19-L86 VanDerWaalsContact OH-CD1 3.31Å; Y19-L86 WeakPolarHBondContact OH-CD1 3.15Å; V35-L86 HydrophobicContact CG2-CD1 3.85Å; V35-L86 HydrophobicContact CG2-CD2 4.24Å; L42-L86 HydrophobicContact CD2-CD2 3.61Å; F51-L86 HydrophobicContact CE1-CG 4.15Å; F51-L86 HydrophobicContact CZ-CD2 3.9Å; F51-L86 HydrophobicContact CZ-CG 3.98Å; A82-L86 WeakPolarHBondContact O-CB 3.46Å; A82-L86 WeakPolarHBondContact O-CD1 3.43Å; A82-L86 VanDerWaalsContact O-CG 3.26Å; A82-L86 WeakPolarHBondContact O-CG 3.35Å; A82-L86 PolarHBondContact O-N 3.19Å; R83-L86 PolarHBondContact O-N 2.95Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.92Å; L86-L89 PolarHBondContact O-N 3.21Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.43Å
87Q98.7Very high98.3Very high66 Ų6642 Ų4231%0.30822%0.222SC..Hα-helixtrans-60.5-41.5176.4-75.6179.9-40.600111.9L17 R83 S84 S91L17-Q87 HydrophobicContact CD1-CB 4.5Å; L17-Q87 HydrophobicContact CD1-CG 3.58Å; R83-Q87 HydrophobicContact CG-CG 4.43Å; R83-Q87 WeakPolarHBondContact O-CB 3.41Å; R83-Q87 VanDerWaalsContact O-CG 3.29Å; R83-Q87 WeakPolarHBondContact O-CG 3.29Å; R83-Q87 PolarHBondContact O-N 2.97Å; S84-Q87 PolarHBondContact O-N 3.39Å; Q87-S91 WeakPolarHBondContact O-CB 3.19Å; Q87-S91 PolarHBondContact O-N 2.86Å; Q87-S91 VanDerWaalsContact O-N 3.07Å
88R98.5Very high98.3Very high100 Ų10043.1 Ų43.138%0.37722%0.216SC..Hα-helixtrans-63.4-55.4173.8-179.9178.159.177.21.3110.4S84 T85 L86 L90 S91 E94S84-R88 WeakPolarHBondContact O-CB 3.48Å; S84-R88 PolarHBondContact O-N 3.07Å; T85-R88 PolarHBondContact O-N 3.4Å; L86-R88 VanDerWaalsContact C-N 3.31Å; L86-R88 PolarHBondContact O-N 2.92Å; R88-L90 PolarHBondContact O-N 2.95Å; R88-S91 WeakPolarHBondContact O-CB 3.44Å; R88-S91 PolarHBondContact O-N 2.85Å; R88-E94 WeakPolarHBondContact CD-OE2 3.42Å; R88-E94 HydrophobicContact CG-CG 4.26Å; R88-E94 VanDerWaalsContact CG-OE2 3.3Å; R88-E94 WeakPolarHBondContact CG-OE2 3.41Å; R88-E94 IonicContact CZ-OE2 3.03Å; R88-E94 IonicContact NH1-OE2 3.17Å; R88-E94 PolarHBondContact NH1-OE2 3.44Å; R88-E94 WeakPolarHBondContact O-CB 3.36Å; R88-E94 WeakPolarHBondContact O-CG 3.48Å
89L98.6Very high98.2Very high0 Ų047.6 Ų47.60%024%0.239CC..Hα-helixtrans-56.4-36.3-177.3-74.2176.6000113.2F3 V47 F50 T85 L86 A96 I97F3-L89 WeakPolarHBondContact CE1-O 3.28Å; V47-L89 HydrophobicContact CB-CD1 4.44Å; F50-L89 HydrophobicContact CB-CD1 3.82Å; F50-L89 HydrophobicContact CB-CD2 3.98Å; F50-L89 HydrophobicContact CB-CG 4.41Å; F50-L89 HydrophobicContact CD1-CD2 4.23Å; F50-L89 HydrophobicContact CD2-CD1 4.26Å; F50-L89 HydrophobicContact CD2-CD2 4.09Å; F50-L89 HydrophobicContact CG-CD1 4.28Å; F50-L89 HydrophobicContact CG-CD2 3.84Å; T85-L89 HydrophobicContact CG2-CD1 3.9Å; T85-L89 HydrophobicContact CG2-CG 4.29Å; T85-L89 WeakPolarHBondContact O-CB 3.23Å; T85-L89 VanDerWaalsContact O-CG 3.26Å; T85-L89 WeakPolarHBondContact O-CG 3.46Å; T85-L89 PolarHBondContact O-N 2.91Å; L86-L89 PolarHBondContact O-N 3.21Å; L89-A96 HydrophobicContact CD2-CB 3.93Å; L89-I97 HydrophobicContact CB-CD1 3.88Å; L89-I97 HydrophobicContact CD1-CD1 4.37Å; L89-I97 HydrophobicContact CD2-CD1 4.37Å; L89-I97 HydrophobicContact CD2-CG1 4.41Å; L89-I97 HydrophobicContact CG-CD1 4.43Å
90L98.7Very high98.2Very high0 Ų050 Ų500%025%0.254CS..Hα-helixtrans-89.8-6.3179.5-68.8169.3000113.6S2 F3 V4 L14 L17 I37 L42 L86 R88S2-L90 WeakPolarHBondContact CA-O 3.49Å; S2-L90 WeakPolarHBondContact CB-O 3.26Å; S2-L90 PolarHBondContact OG-O 3.32Å; F3-L90 WeakPolarHBondContact CD1-O 3.38Å; F3-L90 HydrophobicContact CE1-CD2 4.28Å; F3-L90 HydrophobicContact CZ-CD2 4.27Å; F3-L90 PolarHBondContact N-O 3.43Å; V4-L90 HydrophobicContact CG2-CD2 4.27Å; L14-L90 HydrophobicContact CD1-CB 3.53Å; L14-L90 HydrophobicContact CD1-CD1 4.49Å; L17-L90 HydrophobicContact CD1-CD1 4.5Å; L17-L90 HydrophobicContact CD2-CD1 3.57Å; I37-L90 HydrophobicContact CB-CD1 4.28Å; I37-L90 HydrophobicContact CG1-CD1 4.36Å; I37-L90 HydrophobicContact CG2-CD1 4.28Å; I37-L90 HydrophobicContact CG2-CD2 4.16Å; L42-L90 HydrophobicContact CD2-CD1 4.14Å; L42-L90 HydrophobicContact CD2-CD2 4.17Å; L42-L90 HydrophobicContact CD2-CG 4.17Å; L86-L90 WeakPolarHBondContact O-CB 3.31Å; L86-L90 WeakPolarHBondContact O-CG 3.45Å; L86-L90 PolarHBondContact O-N 3.43Å; R88-L90 PolarHBondContact O-N 2.95Å
91S98.4Very high98.1Very high30 Ų3049.5 Ų49.521%0.2126%0.256CS..BIsolated β-bridgetrans-63.2142.6179-179.80000111.5Q87 R88 N93 E94Q87-S91 WeakPolarHBondContact O-CB 3.19Å; Q87-S91 PolarHBondContact O-N 2.86Å; Q87-S91 VanDerWaalsContact O-N 3.07Å; R88-S91 WeakPolarHBondContact O-CB 3.44Å; R88-S91 PolarHBondContact O-N 2.85Å; S91-N93 PolarHBondContact O-N 2.93Å; S91-N93 PolarHBondContact OG-N 3.3Å; S91-E94 PolarHBondContact O-N 2.86Å; S91-E94 VanDerWaalsContact O-N 3.12Å
92K97.6Very high98.1Very high108 Ų10851.8 Ų51.847%0.4728%0.28SS..THydrogen-bonded Turntrans-57.1-18.4174.169.2169.9-174.4174.90114.3M1 R98M1-K92 HydrophobicContact CB-CD 3.99Å; M1-K92 HydrophobicContact CB-CG 4.4Å; M1-K92 PolarHBondContact O-N 3.37Å; K92-R98 PolarHBondContact O-NH1 2.92Å
93N97.5Very high98Very high128 Ų12852.7 Ų52.768%0.68429%0.285SS*.THydrogen-bonded Turntrans-99.6-1.4-176.2-63.2-25.2000113.7S91S91-N93 PolarHBondContact O-N 2.93Å; S91-N93 PolarHBondContact OG-N 3.3Å
94E97.7Very high98Very high40 Ų4055.5 Ų55.519%0.18730%0.295CS..  trans-102.2130.2-179.5176.458.9-100.100110.2R88 S91 A96 R98R88-E94 WeakPolarHBondContact CD-OE2 3.42Å; R88-E94 HydrophobicContact CG-CG 4.26Å; R88-E94 VanDerWaalsContact CG-OE2 3.3Å; R88-E94 WeakPolarHBondContact CG-OE2 3.41Å; R88-E94 IonicContact CZ-OE2 3.03Å; R88-E94 IonicContact NH1-OE2 3.17Å; R88-E94 PolarHBondContact NH1-OE2 3.44Å; R88-E94 WeakPolarHBondContact O-CB 3.36Å; R88-E94 WeakPolarHBondContact O-CG 3.48Å; S91-E94 PolarHBondContact O-N 2.86Å; S91-E94 VanDerWaalsContact O-N 3.12Å; E94-A96 HydrophobicContact CG-CB 4.2Å; E94-A96 PolarHBondContact OE1-N 2.92Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å
95S97.4Very high97.9Very high60 Ų6056.6 Ų56.642%0.4230%0.303SS..Hα-helixtrans-91.6-21.3-173.656.80000113.2I97 R98 D99S95-I97 VanDerWaalsContact C-N 3.27Å; S95-I97 CarbonylContact O-C 3.53Å; S95-I97 PolarHBondContact O-N 3.42Å; S95-I97 VanDerWaalsContact O-N 3.08Å; S95-R98 PolarHBondContact O-N 3.47Å; S95-D99 WeakPolarHBondContact CB-OD2 3.42Å; S95-D99 PolarHBondContact O-N 3.4Å
96A97.2Very high97.7Very high22 Ų2258.9 Ų58.918%0.18232%0.319CS..Hα-helixtrans-48.8-43.5-17000000114.6F50 L89 E94 N100F50-A96 HydrophobicContact CD1-CB 4.47Å; F50-A96 HydrophobicContact CE1-CB 3.9Å; F50-A96 HydrophobicContact CZ-CB 4.09Å; L89-A96 HydrophobicContact CD2-CB 3.93Å; E94-A96 HydrophobicContact CG-CB 4.2Å; E94-A96 PolarHBondContact OE1-N 2.92Å; A96-N100 WeakPolarHBondContact O-CB 3.24Å
97I97.5Very high97.6Very high0 Ų058.8 Ų58.80%032%0.319CS..Hα-helixtrans-101.4-43.5172.7-55.9174.6000110.7F3 L42 V47 L89 S95 D99 N100 L103 R104F3-I97 HydrophobicContact CE1-CB 4.3Å; F3-I97 HydrophobicContact CE1-CG2 4.49Å; F3-I97 HydrophobicContact CZ-CB 4.04Å; F3-I97 HydrophobicContact CZ-CG2 3.75Å; L42-I97 HydrophobicContact CD1-CD1 4.08Å; V47-I97 HydrophobicContact CG1-CD1 3.69Å; V47-I97 HydrophobicContact CG1-CG1 4.2Å; L89-I97 HydrophobicContact CB-CD1 3.88Å; L89-I97 HydrophobicContact CD1-CD1 4.37Å; L89-I97 HydrophobicContact CD2-CD1 4.37Å; L89-I97 HydrophobicContact CD2-CG1 4.41Å; L89-I97 HydrophobicContact CG-CD1 4.43Å; S95-I97 VanDerWaalsContact C-N 3.27Å; S95-I97 CarbonylContact O-C 3.53Å; S95-I97 PolarHBondContact O-N 3.42Å; S95-I97 VanDerWaalsContact O-N 3.08Å; I97-D99 VanDerWaalsContact C-N 3.29Å; I97-D99 PolarHBondContact O-N 3.25Å; I97-N100 PolarHBondContact O-N 2.93Å; I97-L103 HydrophobicContact CG1-CD2 4.09Å; I97-R104 HydrophobicContact CG2-CB 4.18Å; I97-R104 HydrophobicContact CG2-CG 4.32Å
98R97.8Very high97.6Very high74 Ų7456.9 Ų56.928%0.27931%0.31SS..Hα-helixtrans-53.6-43.5-172-174.2-168.473.2-165.6-5.1113.1F3 K92 E94 S95 R104F3-R98 HydrophobicContact CB-CB 4.33Å; F3-R98 HydrophobicContact CB-CG 3.72Å; F3-R98 HydrophobicContact CD1-CB 3.85Å; F3-R98 HydrophobicContact CD1-CG 4.2Å; F3-R98 HydrophobicContact CD2-CB 4.31Å; F3-R98 HydrophobicContact CD2-CG 4.18Å; F3-R98 HydrophobicContact CE1-CB 4.22Å; F3-R98 HydrophobicContact CG-CB 3.91Å; F3-R98 HydrophobicContact CG-CG 3.78Å; K92-R98 PolarHBondContact O-NH1 2.92Å; E94-R98 WeakPolarHBondContact O-CB 3.4Å; S95-R98 PolarHBondContact O-N 3.47Å; R98-R104 PolarHBondContact O-NH1 3.38Å
99D97.9Very high97.6Very high96 Ų9653.1 Ų53.151%0.51330%0.299SS..THydrogen-bonded Turntrans-102.55.1-172.8-57.8-16.8000112.6S95 I97S95-D99 WeakPolarHBondContact CB-OD2 3.42Å; S95-D99 PolarHBondContact O-N 3.4Å; I97-D99 VanDerWaalsContact C-N 3.29Å; I97-D99 PolarHBondContact O-N 3.25Å
100N97.7Very high97.5Very high71 Ų7154.8 Ų54.838%0.3831%0.309SS..  trans-108.188.7177.5-175.5-21.8000109.7A96 I97 A102 L103 R104A96-N100 WeakPolarHBondContact O-CB 3.24Å; I97-N100 PolarHBondContact O-N 2.93Å; N100-A102 VanDerWaalsContact C-N 3.29Å; N100-A102 PolarHBondContact O-N 2.85Å; N100-L103 HydrophobicContact CB-CB 4.04Å; N100-L103 VanDerWaalsContact CG-CB 3.46Å; N100-L103 PolarHBondContact O-N 3.32Å; N100-L103 PolarHBondContact OD1-N 3.21Å; N100-L103 VanDerWaalsContact OD1-N 3.1Å; N100-R104 VanDerWaalsContact O-CB 3.27Å; N100-R104 WeakPolarHBondContact O-CB 3.48Å; N100-R104 PolarHBondContact O-N 2.83Å
101D97.3Very high97.5Very high101 Ų10157.1 Ų57.154%0.5432%0.32SS..Hα-helixtrans-56-40.1-173.9-76.1-31.3000114R104 S105D101-R104 IonicContact OD1-CZ 3.8Å; D101-R104 IonicContact OD1-NE 3.8Å; D101-R104 IonicContact OD1-NH2 3.95Å; D101-R104 PolarHBondContact OD1-NH2 2.93Å; D101-S105 VanDerWaalsContact O-CB 3.28Å; D101-S105 WeakPolarHBondContact O-CB 3.24Å; D101-S105 PolarHBondContact O-N 3.4Å; D101-S105 PolarHBondContact O-OG 3.49Å
102A97.6Very high97.5Very high75 Ų7564 Ų6462%0.6235%0.349SS*.Hα-helixtrans-66.5-45.6179.700000111.6N100 S106N100-A102 VanDerWaalsContact C-N 3.29Å; N100-A102 PolarHBondContact O-N 2.85Å; A102-S106 WeakPolarHBondContact O-CB 3.36Å; A102-S106 PolarHBondContact O-N 3.48Å; A102-S106 PolarHBondContact O-OG 3.38Å
103L97.9Very high97.4Very high19 Ų1965.2 Ų65.210%0.09935%0.354CS..Hα-helixtrans-67.2-45.3176.1178.461.3000111.1K46 V47 F50 I97 N100 S105 S106 A107K46-L103 WeakPolarHBondContact O-CD1 3.25Å; V47-L103 HydrophobicContact CG1-CD1 4.23Å; V47-L103 HydrophobicContact CG1-CD2 4.49Å; F50-L103 HydrophobicContact CE2-CD2 3.71Å; F50-L103 HydrophobicContact CZ-CD2 4.03Å; I97-L103 HydrophobicContact CG1-CD2 4.09Å; N100-L103 HydrophobicContact CB-CB 4.04Å; N100-L103 VanDerWaalsContact CG-CB 3.46Å; N100-L103 PolarHBondContact O-N 3.32Å; N100-L103 PolarHBondContact OD1-N 3.21Å; N100-L103 VanDerWaalsContact OD1-N 3.1Å; L103-S105 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 3.17Å; L103-S106 PolarHBondContact O-N 2.88Å; L103-S106 PolarHBondContact O-OG 3.02Å; L103-S106 VanDerWaalsContact O-OG 3.1Å; L103-A107 HydrophobicContact CD1-CB 4.22Å; L103-A107 WeakPolarHBondContact O-CB 3.2Å; L103-A107 PolarHBondContact O-N 3.03Å
104R97.5Very high97.4Very high89 Ų8960.1 Ų60.134%0.33633%0.33SS..Hα-helixtrans-58.1-46.8-179.9-170.9171.664179.95.7111.7F3 I97 R98 N100 D101 S106 A107 L108F3-R104 HydrophobicContact CE2-CG 4.47Å; I97-R104 HydrophobicContact CG2-CB 4.18Å; I97-R104 HydrophobicContact CG2-CG 4.32Å; R98-R104 PolarHBondContact O-NH1 3.38Å; N100-R104 VanDerWaalsContact O-CB 3.27Å; N100-R104 WeakPolarHBondContact O-CB 3.48Å; N100-R104 PolarHBondContact O-N 2.83Å; D101-R104 IonicContact OD1-CZ 3.8Å; D101-R104 IonicContact OD1-NE 3.8Å; D101-R104 IonicContact OD1-NH2 3.95Å; D101-R104 PolarHBondContact OD1-NH2 2.93Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 3.37Å; R104-A107 PolarHBondContact O-N 3.36Å; R104-L108 HydrophobicContact CG-CD1 3.85Å; R104-L108 WeakPolarHBondContact O-CB 3.38Å; R104-L108 PolarHBondContact O-N 3.12Å
105S96.2Very high97.4Very high96 Ų9666 Ų6667%0.67135%0.351SS*.Hα-helixtrans-68.5-27.3-179.2-54.10000113.3D101 L103D101-S105 VanDerWaalsContact O-CB 3.28Å; D101-S105 WeakPolarHBondContact O-CB 3.24Å; D101-S105 PolarHBondContact O-N 3.4Å; D101-S105 PolarHBondContact O-OG 3.49Å; L103-S105 VanDerWaalsContact C-N 3.35Å; L103-S105 PolarHBondContact O-N 3.17Å
106S95.2Very high97.4Very high60 Ų6065 Ų6542%0.4234%0.34SS..Hα-helixtrans-92.5-23.5178.6570000113.9A102 L103 R104A102-S106 WeakPolarHBondContact O-CB 3.36Å; A102-S106 PolarHBondContact O-N 3.48Å; A102-S106 PolarHBondContact O-OG 3.38Å; L103-S106 PolarHBondContact O-N 2.88Å; L103-S106 PolarHBondContact O-OG 3.02Å; L103-S106 VanDerWaalsContact O-OG 3.1Å; R104-S106 VanDerWaalsContact C-N 3.29Å; R104-S106 PolarHBondContact O-N 3.37Å
107A97.2Very high97.4Very high0 Ų066 Ų660%034%0.341CS..Hα-helixtrans-97.4-24.2-177.600000113.7L42 D43 K46 V47 L103 R104L42-A107 CarbonylContact C-O 3.54Å; L42-A107 WeakPolarHBondContact CA-O 3.44Å; L42-A107 HydrophobicContact CD1-CB 4.03Å; D43-A107 PolarHBondContact N-O 3.18Å; K46-A107 HydrophobicContact CB-CB 3.76Å; K46-A107 HydrophobicContact CG-CB 4.39Å; V47-A107 HydrophobicContact CG1-CB 4.06Å; L103-A107 HydrophobicContact CD1-CB 4.22Å; L103-A107 WeakPolarHBondContact O-CB 3.2Å; L103-A107 PolarHBondContact O-N 3.03Å; R104-A107 PolarHBondContact O-N 3.36Å
108L98.2Very high97.5Very high25 Ų2568.5 Ų68.513%0.13135%0.353CS..EExtended strand (participates in β ladder)trans-101.4122.3176-67.3175000110.7F3 V4 I37 Q40 I41 L42 R104F3-L108 HydrophobicContact CE2-CD1 3.9Å; F3-L108 HydrophobicContact CZ-CD1 4.29Å; V4-L108 HydrophobicContact CG2-CD1 3.9Å; V4-L108 HydrophobicContact CG2-CD2 4.35Å; I37-L108 HydrophobicContact CG2-CD2 4.44Å; Q40-L108 HydrophobicContact CB-CD2 4.3Å; I41-L108 WeakPolarHBondContact O-CA 3.47Å; L42-L108 HydrophobicContact CB-CD2 4.15Å; L42-L108 HydrophobicContact CD1-CD2 3.97Å; R104-L108 HydrophobicContact CG-CD1 3.85Å; R104-L108 WeakPolarHBondContact O-CB 3.38Å; R104-L108 PolarHBondContact O-N 3.12Å
109V97.8Very high97.5Very high22 Ų2265 Ų6513%0.13334%0.34CS..EExtended strand (participates in β ladder)trans-118.6128.1-179.3-179.60000109.2F22 T24 Q40 I41 Q111F22-V109 HydrophobicContact CE2-CB 4.19Å; F22-V109 HydrophobicContact CE2-CG1 4.24Å; F22-V109 HydrophobicContact CE2-CG2 4.05Å; F22-V109 HydrophobicContact CZ-CG2 4.34Å; T24-V109 HydrophobicContact CG2-CG1 3.65Å; Q40-V109 CarbonylContact C-O 3.54Å; Q40-V109 WeakPolarHBondContact CA-O 3.4Å; Q40-V109 VanDerWaalsContact OE1-C 3.28Å; I41-V109 PolarHBondContact N-O 3.5Å; I41-V109 PolarHBondContact O-N 3.47Å; V109-Q111 PolarHBondContact O-N 3.23Å
110P98Very high97.5Very high34 Ų3460.5 Ų60.522%0.22132%0.317CS..EExtended strand (participates in β ladder)trans-59.4133.4173-2433.8000111.3E112 K113P110-E112 HydrophobicContact CB-CG 3.85Å; P110-E112 PolarHBondContact O-N 3.48Å; P110-K113 HydrophobicContact CB-CD 4.49Å; P110-K113 HydrophobicContact CB-CG 4.32Å; P110-K113 HydrophobicContact CG-CD 4.24Å; P110-K113 PolarHBondContact O-N 3.41Å
111Q98.1Very high97.6Very high50 Ų5061.7 Ų61.723%0.23433%0.327CS..G310 helixtrans-57.7-34.6-179.5-75.6173.728.200112.3G38 D39 Q40 I41 V109 K113 A114G38-Q111 PolarHBondContact O-NE2 2.95Å; D39-Q111 WeakPolarHBondContact O-CB 3.36Å; D39-Q111 WeakPolarHBondContact O-CG 3.47Å; D39-Q111 PolarHBondContact O-N 3.44Å; Q40-Q111 PolarHBondContact O-NE2 3.48Å; I41-Q111 HydrophobicContact CD1-CG 4.13Å; I41-Q111 HydrophobicContact CG1-CG 3.59Å; V109-Q111 PolarHBondContact O-N 3.23Å; Q111-K113 PolarHBondContact O-N 2.87Å; Q111-A114 WeakPolarHBondContact O-CB 3.43Å; Q111-A114 PolarHBondContact O-N 2.85Å
112E97.2Very high97.7Very high173 Ų17357.9 Ų57.981%0.80831%0.306SS*.G310 helixtrans-61.5-22.4175.757.7167.8-157.200114.3P110P110-E112 HydrophobicContact CB-CG 3.85Å; P110-E112 PolarHBondContact O-N 3.48Å
113K96.5Very high97.7Very high134 Ų13456 Ų5658%0.58329%0.294SS*.G310 helixtrans-95.7-5.5177.6-63.4-173.5-178179.30112.7P110 Q111P110-K113 HydrophobicContact CB-CD 4.49Å; P110-K113 HydrophobicContact CB-CG 4.32Å; P110-K113 HydrophobicContact CG-CD 4.24Å; P110-K113 PolarHBondContact O-N 3.41Å; Q111-K113 PolarHBondContact O-N 2.87Å
114A97Very high97.7Very high21 Ų2158.7 Ų58.717%0.17431%0.308CS..EExtended strand (participates in β ladder)trans-95.7137.8-176.800000111F22 I41 Q111F22-A114 HydrophobicContact CB-CB 4.38Å; F22-A114 HydrophobicContact CD2-CB 3.94Å; I41-A114 HydrophobicContact CD1-CB 3.35Å; Q111-A114 WeakPolarHBondContact O-CB 3.43Å; Q111-A114 PolarHBondContact O-N 2.85Å
115R97.1Very high97.8Very high165 Ų16554.6 Ų54.662%0.62329%0.293SS*.EExtended strand (participates in β ladder)trans-98.7119.8163.2178.8179.5177.9-178.61.1108.2F22 S23 H117F22-R115 CarbonylContact C-O 3.29Å; F22-R115 VanDerWaalsContact CA-O 3.27Å; F22-R115 WeakPolarHBondContact CA-O 3.24Å; S23-R115 PolarHBondContact N-O 3.25Å; S23-R115 PolarHBondContact O-N 3.41Å; R115-H117 PolarHBondContact O-CD2 3.11Å
116M98.1Very high97.9Very high39 Ų3950.2 Ų50.219%0.19226%0.262CS..EExtended strand (participates in β ladder)trans-80.7148.6175.6-58.7-52.7-6400111.5I21 F22 I41 P263 W264I21-M116 WeakPolarHBondContact O-CE 3.15Å; F22-M116 HydrophobicContact CB-CE 4.29Å; F22-M116 HydrophobicContact CB-SD 3.74Å; I41-M116 HydrophobicContact CD1-SD 3.99Å; M116-P263 HydrophobicContact CB-CB 3.59Å; M116-P263 HydrophobicContact CB-CG 3.97Å; M116-P263 HydrophobicContact CE-CB 3.92Å; M116-P263 HydrophobicContact CE-CG 4.41Å; M116-P263 HydrophobicContact CG-CB 4Å; M116-P263 HydrophobicContact CG-CG 3.95Å; M116-W264 HydrophobicContact CE-CD2 3.95Å; M116-W264 HydrophobicContact CE-CE3 4.01Å; M116-W264 HydrophobicContact CE-CH2 3.43Å; M116-W264 VanDerWaalsContact CE-CH2 3.43Å; M116-W264 HydrophobicContact CE-CZ2 3.36Å; M116-W264 HydrophobicContact CE-CZ3 3.77Å; M116-W264 HydrophobicContact SD-CH2 4.01Å; M116-W264 HydrophobicContact SD-CZ2 3.62Å
117H98Very high98.1Very high42 Ų4247.5 Ų47.519%0.19424%0.243CC..EExtended strand (participates in β ladder)trans-125.4176.7176.3-59-84.2000110.4I21 S23 R115I21-H117 HydrophobicContact CB-CB 4.27Å; I21-H117 HydrophobicContact CG2-CB 3.97Å; I21-H117 PolarHBondContact O-N 2.79Å; S23-H117 WeakPolarHBondContact CB-NE2 3.48Å; S23-H117 PolarHBondContact OG-NE2 2.8Å; R115-H117 PolarHBondContact O-CD2 3.11Å
118L98.6Very high98.2Very high52 Ų5247.6 Ų47.627%0.27224%0.244SC..  trans-58.8136169.8-69.8174.7000110.1A120 I168 P170 I261L118-A120 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 2.72Å; L118-I168 WeakPolarHBondContact CD1-O 3.35Å; L118-I168 HydrophobicContact CD2-CG2 4.03Å; L118-P170 HydrophobicContact CD2-CB 4.31Å; L118-I261 HydrophobicContact CD2-CD1 3.78Å; L118-I261 HydrophobicContact CD2-CG1 3.85Å
119P98.6Very high98.1Very high0 Ų048.3 Ų48.30%025%0.246CC..SBendtrans-70.1-27-175.326.7-34000113.1I21 L68 L207 I261 V265I21-P119 WeakPolarHBondContact CG1-O 3.48Å; L68-P119 VanDerWaalsContact CB-O 3.29Å; L68-P119 WeakPolarHBondContact CB-O 3.26Å; L68-P119 HydrophobicContact CD1-CB 3.93Å; L68-P119 VanDerWaalsContact CG-O 3.23Å; L68-P119 WeakPolarHBondContact CG-O 3.33Å; L68-P119 PolarHBondContact N-O 2.73Å; P119-L207 HydrophobicContact CB-CD1 4.48Å; P119-L207 HydrophobicContact CG-CD1 4.18Å; P119-I261 HydrophobicContact CG-CD1 4.11Å; P119-V265 HydrophobicContact CB-CG2 3.45Å; P119-V265 VanDerWaalsContact CB-CG2 3.45Å; P119-V265 HydrophobicContact CG-CG2 3.73Å
120A98.7Very high98.1Very high3 Ų347.3 Ų47.33%0.02524%0.24CC..SBendtrans-142159.7-179.700000110.4L72 L118 I122 L207L72-A120 HydrophobicContact CD1-CB 4.28Å; L118-A120 VanDerWaalsContact C-N 3.3Å; L118-A120 PolarHBondContact O-N 2.72Å; A120-I122 PolarHBondContact O-N 2.89Å; A120-L207 HydrophobicContact CB-CD2 4.28Å
121V98.6Very high98.1Very high96 Ų9645.7 Ų45.758%0.58223%0.229SC*.  trans-75111.1158.51710000106.7T67 N69 G123T67-V121 HydrophobicContact CG2-CG2 3.99Å; N69-V121 PolarHBondContact ND2-O 3.1Å; N69-V121 PolarHBondContact OD1-N 2.94Å; V121-G123 PolarHBondContact O-N 2.97Å
122I98.8Very high97.9Very high20 Ų2046.1 Ų46.110%0.10323%0.23CC..  trans-83110.9-179.4-58.3164.2000107.3A120 D124 I168 I261 L347A120-I122 PolarHBondContact O-N 2.89Å; I122-D124 WeakPolarHBondContact CG2-O 3.26Å; I122-I168 HydrophobicContact CB-CD1 4.37Å; I122-I168 HydrophobicContact CD1-CB 4.04Å; I122-I168 HydrophobicContact CD1-CD1 3.59Å; I122-I168 HydrophobicContact CD1-CG1 4.42Å; I122-I168 HydrophobicContact CD1-CG2 3.62Å; I122-I168 HydrophobicContact CG2-CD1 3.92Å; I122-I261 HydrophobicContact CD1-CD1 4.35Å; I122-L347 HydrophobicContact CD1-CB 4.32Å; I122-L347 HydrophobicContact CD1-CD2 4.04Å; I122-L347 HydrophobicContact CG1-CB 4.4Å; I122-L347 HydrophobicContact CG2-CB 3.76Å
123G98.4Very high97.8Very high37 Ų3741.1 Ų41.138%0.38120%0.204SC..SBendtrans-69.5-70.5175.600000109.2V121 S165V121-G123 PolarHBondContact O-N 2.97Å; G123-S165 WeakPolarHBondContact O-CB 3.34Å; G123-S165 PolarHBondContact O-OG 3.1Å
124D98.8Very high97.8Very high74 Ų7435 Ų3540%0.39618%0.178SC..  trans-114.1139.8179.7-65.9-67.9000110.6I122 K343 D346 L347I122-D124 WeakPolarHBondContact CG2-O 3.26Å; D124-K343 IonicContact OD2-NZ 2.79Å; D124-K343 PolarHBondContact OD2-NZ 2.84Å; D124-D346 PolarHBondContact N-OD1 3.01Å; D124-D346 WeakPolarHBondContact O-CA 3.28Å; D124-L347 PolarHBondContact O-N 2.6Å
125Y98.9Very high97.6Very high4 Ų434 Ų342%0.01617%0.17CC..EExtended strand (participates in β ladder)trans-117.6124.8173.7167.8-145.8000108.8D127 G163 S165 I168 L233 T259 L347 A349Y125-D127 HydrophobicContact CE2-CB 4.03Å; Y125-G163 WeakPolarHBondContact O-CA 3.44Å; Y125-G163 PolarHBondContact O-N 3.42Å; Y125-S165 PolarHBondContact N-OG 3.36Å; Y125-I168 HydrophobicContact CD1-CD1 3.76Å; Y125-I168 HydrophobicContact CD1-CG1 4.17Å; Y125-I168 HydrophobicContact CG-CD1 3.76Å; Y125-L233 HydrophobicContact CE2-CD1 4.25Å; Y125-T259 HydrophobicContact CE1-CG2 4.05Å; Y125-L347 WeakPolarHBondContact CA-O 3.46Å; Y125-L347 HydrophobicContact CD2-CB 4.42Å; Y125-L347 HydrophobicContact CD2-CD2 4.4Å; Y125-A349 HydrophobicContact CE2-CB 3.68Å
126T98.9Very high97.4Very high4 Ų427 Ų273%0.02515%0.147CC..EExtended strand (participates in β ladder)trans-119.4133.3173.1-660000109.5F128 A160 H335 L347 I348 A349T126-F128 HydrophobicContact CG2-CD2 4.02Å; T126-F128 HydrophobicContact CG2-CE2 3.68Å; T126-F128 HydrophobicContact CG2-CZ 4.4Å; T126-A160 HydrophobicContact CG2-CB 3.8Å; T126-H335 PolarHBondContact OG1-CE1 3.46Å; T126-H335 PolarHBondContact OG1-NE2 2.87Å; T126-L347 PolarHBondContact N-O 3.02Å; T126-I348 WeakPolarHBondContact O-CA 3.34Å; T126-A349 PolarHBondContact O-N 2.74Å
127D98.9Very high97.2Very high3 Ų325.9 Ų25.92%0.01614%0.142CC..EExtended strand (participates in β ladder)trans-110.8121.5176.3-174.728.9000110Y125 A160 Y161 G351Y125-D127 HydrophobicContact CE2-CB 4.03Å; D127-A160 CarbonylContact O-C 3.46Å; D127-A160 WeakPolarHBondContact O-CA 3.46Å; D127-A160 WeakPolarHBondContact O-CB 3.34Å; D127-Y161 HydrophobicContact CB-CD1 4.34Å; D127-Y161 HydrophobicContact CB-CE1 3.69Å; D127-Y161 HydrophobicContact CB-CE2 4.32Å; D127-Y161 PolarHBondContact N-O 2.87Å; D127-Y161 PolarHBondContact O-N 2.99Å; D127-Y161 WeakPolarHBondContact OD2-CE1 3.28Å; D127-Y161 PolarHBondContact OD2-OH 3.05Å; D127-G351 PolarHBondContact OD1-N 2.77Å
128F98.7Very high96.9Very high2 Ų224.3 Ų24.31%0.00914%0.135CC..EExtended strand (participates in β ladder)trans-88.1177.3178.6-81.7-96.1000111.4T126 S130 P158 L159 A160 Q331 H335 I348 A349 G351T126-F128 HydrophobicContact CG2-CD2 4.02Å; T126-F128 HydrophobicContact CG2-CE2 3.68Å; T126-F128 HydrophobicContact CG2-CZ 4.4Å; F128-S130 WeakPolarHBondContact CB-OG 3.4Å; F128-P158 HydrophobicContact CD1-CB 3.75Å; F128-P158 WeakPolarHBondContact CD1-O 3.27Å; F128-P158 HydrophobicContact CE1-CB 3.77Å; F128-P158 HydrophobicContact CE1-CG 4.14Å; F128-P158 VanDerWaalsContact CE1-O 3.29Å; F128-P158 WeakPolarHBondContact CE1-O 3.3Å; F128-L159 CarbonylContact C-O 3.5Å; F128-L159 WeakPolarHBondContact CA-O 3.33Å; F128-L159 WeakPolarHBondContact CD1-O 3.22Å; F128-A160 HydrophobicContact CB-CB 4.43Å; F128-A160 HydrophobicContact CD1-CB 3.62Å; F128-A160 HydrophobicContact CD2-CB 4.09Å; F128-A160 HydrophobicContact CE1-CB 3.74Å; F128-A160 HydrophobicContact CE2-CB 4.18Å; F128-A160 HydrophobicContact CG-CB 3.8Å; F128-A160 HydrophobicContact CZ-CB 4.02Å; F128-Q331 HydrophobicContact CB-CG 4.44Å; F128-Q331 HydrophobicContact CD1-CB 4.15Å; F128-Q331 HydrophobicContact CD1-CG 3.74Å; F128-Q331 HydrophobicContact CD2-CB 4.1Å; F128-Q331 HydrophobicContact CD2-CG 4.1Å; F128-Q331 HydrophobicContact CE1-CB 3.87Å; F128-Q331 HydrophobicContact CE1-CG 3.95Å; F128-Q331 HydrophobicContact CE2-CB 3.84Å; F128-Q331 HydrophobicContact CE2-CG 4.31Å; F128-Q331 HydrophobicContact CG-CB 4.26Å; F128-Q331 HydrophobicContact CG-CG 3.81Å; F128-Q331 HydrophobicContact CZ-CB 3.71Å; F128-Q331 HydrophobicContact CZ-CG 4.24Å; F128-Q331 VanDerWaalsContact CZ-O 3.3Å; F128-Q331 WeakPolarHBondContact CZ-O 3.22Å; F128-H335 HydrophobicContact CZ-CB 4.16Å; F128-I348 HydrophobicContact CD2-CG2 3.52Å; F128-I348 HydrophobicContact CE2-CG2 3.37Å; F128-A349 WeakPolarHBondContact CB-O 3.42Å; F128-A349 WeakPolarHBondContact CD2-O 3.18Å; F128-A349 PolarHBondContact N-O 2.78Å; F128-A349 VanDerWaalsContact N-O 3.16Å; F128-G351 WeakPolarHBondContact O-CA 3.47Å; F128-G351 PolarHBondContact O-N 2.88Å
129F97.5Very high96.5Very high39 Ų3921.9 Ų21.917%0.17112%0.123CC..  trans-13155.4177.1-165.2-111.8000109.8H134 A135 C138 L150 A154 L159F129-H134 AromaticContact CD2-CD2 3.84Å; F129-H134 AromaticContact CE2-CD2 3.12Å; F129-H134 WeakPolarHBondContact CE2-CD2 3.4Å; F129-H134 AromaticContact CE2-NE2 3.31Å; F129-H134 VanDerWaalsContact CE2-NE2 3.31Å; F129-H134 WeakPolarHBondContact CE2-NE2 3.41Å; F129-H134 AromaticContact CZ-CD2 3.58Å; F129-H134 AromaticContact CZ-NE2 3.97Å; F129-A135 HydrophobicContact CD1-CB 4.05Å; F129-A135 VanDerWaalsContact CE1-CA 3.47Å; F129-A135 HydrophobicContact CE1-CB 3.36Å; F129-A135 HydrophobicContact CZ-CB 4.07Å; F129-C138 HydrophobicContact CZ-CB 4.4Å; F129-L150 HydrophobicContact CD1-CD1 4.42Å; F129-L150 HydrophobicContact CE1-CD1 3.96Å; F129-L150 HydrophobicContact CE1-CD2 3.72Å; F129-L150 HydrophobicContact CE1-CG 3.79Å; F129-L150 HydrophobicContact CZ-CD2 3.82Å; F129-L150 HydrophobicContact CZ-CG 4.4Å; F129-A154 HydrophobicContact CD1-CB 4.49Å; F129-L159 HydrophobicContact CB-CB 4.29Å; F129-L159 PolarHBondContact N-O 2.95Å
130S97.6Very high96.1Very high1 Ų126.6 Ų26.61%0.00714%0.141CC..  trans-93.5-2.6-160.7-60.20000115.9F128 Y325 Q331 S350F128-S130 WeakPolarHBondContact CB-OG 3.4Å; S130-Y325 WeakPolarHBondContact O-CB 3.29Å; S130-Y325 PolarHBondContact O-N 3.44Å; S130-Q331 PolarHBondContact OG-NE2 2.79Å; S130-S350 VanDerWaalsContact CB-O 3.22Å; S130-S350 WeakPolarHBondContact CB-O 3.48Å; S130-S350 PolarHBondContact N-O 3.31Å; S130-S350 PolarHBondContact OG-O 3.46Å
131S96.6Very high95.7Very high1 Ų127.4 Ų27.41%0.00714%0.144CC..BIsolated β-bridgetrans-85.3117.2170.6173.60000110.7Y133 H134 A135 T352 S354S131-Y133 VanDerWaalsContact C-N 3.27Å; S131-Y133 PolarHBondContact O-N 3.29Å; S131-Y133 PolarHBondContact OG-N 3.39Å; S131-H134 PolarHBondContact O-N 3.4Å; S131-H134 PolarHBondContact OG-N 3.27Å; S131-H134 VanDerWaalsContact OG-N 3.14Å; S131-A135 WeakPolarHBondContact O-CB 3.49Å; S131-A135 PolarHBondContact O-N 2.79Å; S131-T352 WeakPolarHBondContact CB-O 3.43Å; S131-S354 PolarHBondContact OG-N 2.76Å; S131-S354 PolarHBondContact OG-O 3.39Å
132K94.4Very high95Very high58 Ų5827.1 Ų27.125%0.25214%0.135SC..Hα-helixtrans-61.2-37173.4176.6172.1171.41630111.9A136 L151 E155 F279 Y325K132-A136 WeakPolarHBondContact O-CB 3.39Å; K132-A136 PolarHBondContact O-N 3.3Å; K132-L151 HydrophobicContact CD-CD1 4.49Å; K132-L151 HydrophobicContact CG-CD1 3.72Å; K132-E155 VanDerWaalsContact CE-OE1 3.25Å; K132-E155 WeakPolarHBondContact CE-OE1 3.16Å; K132-E155 IonicContact NZ-OE1 3.83Å; K132-E155 PolarHBondContact NZ-OE1 3.31Å; K132-F279 HydrophobicContact CD-CE1 4.4Å; K132-Y325 HydrophobicContact CB-CD2 4.16Å; K132-Y325 HydrophobicContact CB-CG 4.21Å; K132-Y325 HydrophobicContact CD-CD2 3.99Å; K132-Y325 HydrophobicContact CD-CE2 4.26Å
133Y94.9Very high94.1Very high68 Ų6831.2 Ų31.227%0.26716%0.157SC..Hα-helixtrans-67.1-45.7178.5-61.6-69.8000111.3S131 A135 A136 N137 F279 Y323 S354 P356S131-Y133 VanDerWaalsContact C-N 3.27Å; S131-Y133 PolarHBondContact O-N 3.29Å; S131-Y133 PolarHBondContact OG-N 3.39Å; Y133-A135 PolarHBondContact O-N 2.84Å; Y133-A136 PolarHBondContact O-N 3.28Å; Y133-N137 WeakPolarHBondContact O-CB 3.34Å; Y133-N137 VanDerWaalsContact O-CG 3.24Å; Y133-N137 PolarHBondContact O-N 3.3Å; Y133-N137 PolarHBondContact O-ND2 3.18Å; Y133-F279 AromaticContact CE2-CE2 3.8Å; Y133-F279 HydrophobicContact CE2-CE2 3.8Å; Y133-F279 HydrophobicContact CE2-CZ 4.19Å; Y133-Y323 HydrophobicContact CE2-CD1 4.39Å; Y133-Y323 HydrophobicContact CE2-CG 4.49Å; Y133-S354 VanDerWaalsContact CD2-O 3.32Å; Y133-S354 WeakPolarHBondContact CD2-O 3.33Å; Y133-P356 HydrophobicContact CD1-CB 4.48Å; Y133-P356 HydrophobicContact CE1-CB 3.78Å; Y133-P356 HydrophobicContact CE2-CB 4.45Å
134H96.1Very high92.9Very high7 Ų732.6 Ų32.63%0.03217%0.171CC..Hα-helixtrans-61.5-45.6176.5-178.270.7000111.2F129 S131 A136 N137 C138 T352 E366F129-H134 AromaticContact CD2-CD2 3.84Å; F129-H134 AromaticContact CE2-CD2 3.12Å; F129-H134 WeakPolarHBondContact CE2-CD2 3.4Å; F129-H134 AromaticContact CE2-NE2 3.31Å; F129-H134 VanDerWaalsContact CE2-NE2 3.31Å; F129-H134 WeakPolarHBondContact CE2-NE2 3.41Å; F129-H134 AromaticContact CZ-CD2 3.58Å; F129-H134 AromaticContact CZ-NE2 3.97Å; S131-H134 PolarHBondContact O-N 3.4Å; S131-H134 PolarHBondContact OG-N 3.27Å; S131-H134 VanDerWaalsContact OG-N 3.14Å; H134-A136 PolarHBondContact O-N 3.01Å; H134-N137 PolarHBondContact O-N 3.15Å; H134-C138 VanDerWaalsContact CE1-SG 3.56Å; H134-C138 WeakPolarHBondContact O-CB 3.24Å; H134-C138 PolarHBondContact O-N 2.92Å; H134-T352 WeakPolarHBondContact ND1-CG2 3.29Å; H134-E366 IonicContact CE1-OE2 2.78Å; H134-E366 IonicContact CG-OE2 2.76Å; H134-E366 IonicContact ND1-OE1 3.19Å; H134-E366 IonicContact ND1-OE2 3.63Å; H134-E366 PolarHBondContact ND1-OE2 3.32Å
135A93.5Very high91.3Very high0 Ų035.1 Ų35.10%018%0.181CC..Hα-helixtrans-57.3-45.1174.900000112.9F129 S131 Y133 G139 L151 A154F129-A135 HydrophobicContact CD1-CB 4.05Å; F129-A135 VanDerWaalsContact CE1-CA 3.47Å; F129-A135 HydrophobicContact CE1-CB 3.36Å; F129-A135 HydrophobicContact CZ-CB 4.07Å; S131-A135 WeakPolarHBondContact O-CB 3.49Å; S131-A135 PolarHBondContact O-N 2.79Å; Y133-A135 PolarHBondContact O-N 2.84Å; A135-G139 PolarHBondContact O-N 2.76Å; A135-L151 HydrophobicContact CB-CD1 4.33Å; A135-A154 HydrophobicContact CB-CB 4.09Å
136A92.8Very high89.3Confident16 Ų1641.5 Ų41.513%0.13221%0.211CC..Hα-helixtrans-63.3-43.1176.800000112.2K132 Y133 H134 G139 R140 L151K132-A136 WeakPolarHBondContact O-CB 3.39Å; K132-A136 PolarHBondContact O-N 3.3Å; Y133-A136 PolarHBondContact O-N 3.28Å; H134-A136 PolarHBondContact O-N 3.01Å; A136-G139 PolarHBondContact O-N 3.17Å; A136-R140 WeakPolarHBondContact O-CG 3.42Å; A136-R140 PolarHBondContact O-N 3.2Å; A136-L151 HydrophobicContact CB-CD1 4.32Å; A136-L151 HydrophobicContact CB-CD2 4.02Å
137N94.3Very high87.4Confident16 Ų1646.7 Ų46.79%0.08624%0.242CC..Hα-helixtrans-65.9-48.6179.9-69.7-27.6000112Y133 H134 G139 R140 M141 L361 E366 W369Y133-N137 WeakPolarHBondContact O-CB 3.34Å; Y133-N137 VanDerWaalsContact O-CG 3.24Å; Y133-N137 PolarHBondContact O-N 3.3Å; Y133-N137 PolarHBondContact O-ND2 3.18Å; H134-N137 PolarHBondContact O-N 3.15Å; N137-G139 VanDerWaalsContact C-N 3.31Å; N137-G139 PolarHBondContact O-N 2.91Å; N137-R140 PolarHBondContact O-N 3.01Å; N137-M141 WeakPolarHBondContact O-CG 3.09Å; N137-M141 PolarHBondContact O-N 3.4Å; N137-L361 WeakPolarHBondContact ND2-CD2 3.33Å; N137-E366 HydrophobicContact CB-CG 4Å; N137-E366 PolarHBondContact ND2-OE1 2.98Å; N137-W369 HydrophobicContact CB-CZ3 4.36Å
138C92.2Very high85.9Confident10 Ų1046.6 Ų46.67%0.06824%0.242CC..Hα-helixtrans-57.5-45.4173.8-74.40000111.1F129 H134 R140 M141 F142 L150F129-C138 HydrophobicContact CZ-CB 4.4Å; H134-C138 VanDerWaalsContact CE1-SG 3.56Å; H134-C138 WeakPolarHBondContact O-CB 3.24Å; H134-C138 PolarHBondContact O-N 2.92Å; C138-R140 PolarHBondContact O-N 2.74Å; C138-M141 PolarHBondContact O-N 2.75Å; C138-F142 HydrophobicContact CB-CD2 4.25Å; C138-F142 HydrophobicContact CB-CE2 4.37Å; C138-F142 WeakPolarHBondContact O-CD2 3.47Å; C138-F142 PolarHBondContact O-N 3.4Å; C138-L150 HydrophobicContact CB-CD2 4.16Å
139G88.6Confident85.1Confident1 Ų152.2 Ų52.21%0.0127%0.272CS..Hα-helixtrans-54.1-49.7174.800000113.4A135 A136 N137 M141 L143 S148A135-G139 PolarHBondContact O-N 2.76Å; A136-G139 PolarHBondContact O-N 3.17Å; N137-G139 VanDerWaalsContact C-N 3.31Å; N137-G139 PolarHBondContact O-N 2.91Å; G139-M141 PolarHBondContact O-N 3.39Å; G139-L143 WeakPolarHBondContact O-CA 3.42Å; G139-L143 WeakPolarHBondContact O-CB 3.41Å; G139-L143 PolarHBondContact O-N 3.03Å; G139-S148 VanDerWaalsContact CA-CB 3.4Å; G139-S148 WeakPolarHBondContact CA-OG 3.41Å
140R91Very high84.3Confident98 Ų9853 Ų5337%0.3728%0.277SS..Hα-helixtrans-62.1-41.9177.4-72.9169.5175.8167.9-5.1112.3A136 N137 C138 G144 E146 W369A136-R140 WeakPolarHBondContact O-CG 3.42Å; A136-R140 PolarHBondContact O-N 3.2Å; N137-R140 PolarHBondContact O-N 3.01Å; C138-R140 PolarHBondContact O-N 2.74Å; R140-G144 WeakPolarHBondContact O-CA 3.4Å; R140-G144 PolarHBondContact O-N 3.38Å; R140-E146 IonicContact CZ-OE1 3.3Å; R140-E146 IonicContact NE-OE1 3.68Å; R140-E146 IonicContact NH2-OE1 2.67Å; R140-E146 PolarHBondContact NH2-OE1 3.49Å; R140-W369 HydrophobicContact CB-CH2 4.15Å; R140-W369 HydrophobicContact CB-CZ2 4.22Å
141M90Very high83.6Confident20 Ų2053.9 Ų53.910%0.09928%0.282CS..Hα-helixtrans-70.6-36.6-178-71.1-175.5-167.900114.3N137 C138 G139 L365 W369 R370N137-M141 WeakPolarHBondContact O-CG 3.09Å; N137-M141 PolarHBondContact O-N 3.4Å; C138-M141 PolarHBondContact O-N 2.75Å; G139-M141 PolarHBondContact O-N 3.39Å; M141-L365 WeakPolarHBondContact CE-O 3.32Å; M141-L365 HydrophobicContact SD-CD1 4.04Å; M141-L365 HydrophobicContact SD-CG 3.95Å; M141-W369 HydrophobicContact CE-CB 4.44Å; M141-W369 HydrophobicContact CE-CD2 3.54Å; M141-W369 HydrophobicContact CE-CE3 3.17Å; M141-W369 HydrophobicContact CE-CG 4.13Å; M141-W369 HydrophobicContact CE-CH2 4.07Å; M141-W369 HydrophobicContact CE-CZ2 4.4Å; M141-W369 HydrophobicContact CE-CZ3 3.46Å; M141-W369 VanDerWaalsContact CE-CZ3 3.46Å; M141-W369 HydrophobicContact CG-CD2 4.47Å; M141-W369 HydrophobicContact CG-CH2 4.31Å; M141-W369 HydrophobicContact CG-CZ2 4.13Å; M141-R370 PolarHBondContact O-NH1 3.3Å; M141-R370 HydrophobicContact SD-CB 4.11Å
142F83.8Confident83.1Confident91 Ų9158.4 Ų58.440%0.39930%0.303SS..Hα-helixtrans-98.5-29.2-173.4-66.5-61.7000113.4C138 M243 L365C138-F142 HydrophobicContact CB-CD2 4.25Å; C138-F142 HydrophobicContact CB-CE2 4.37Å; C138-F142 WeakPolarHBondContact O-CD2 3.47Å; C138-F142 PolarHBondContact O-N 3.4Å; F142-M243 HydrophobicContact CE1-CG 4.04Å; F142-M243 HydrophobicContact CE1-SD 3.84Å; F142-M243 HydrophobicContact CZ-CG 4.49Å; F142-L365 HydrophobicContact CE2-CD2 4.13Å; F142-L365 HydrophobicContact CZ-CD2 4.08Å
143L80.6Confident82.8Confident105 Ų10559.4 Ų59.455%0.5531%0.311SS..Hα-helixtrans-118.8-10.2-173.1-56.4175.6000113.8G139 E145G139-L143 WeakPolarHBondContact O-CA 3.42Å; G139-L143 WeakPolarHBondContact O-CB 3.41Å; G139-L143 PolarHBondContact O-N 3.03Å; L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 2.67Å
144G73Confident82.6Confident67 Ų6756.4 Ų56.469%0.69130%0.3SS*.  trans75.51.2171.400000116.6R140R140-G144 WeakPolarHBondContact O-CA 3.4Å; R140-G144 PolarHBondContact O-N 3.38Å
145E65.3Low82.4Confident127 Ų12757.3 Ų57.359%0.59330%0.304SS*.SBendtrans-118.9148.3179.5-68.7-172.6171.700112.5L143 T147L143-E145 VanDerWaalsContact C-N 3.28Å; L143-E145 PolarHBondContact O-N 2.67Å; E145-T147 VanDerWaalsContact C-N 3.34Å
146E56.1Low82.3Confident137 Ų13763.1 Ų63.164%0.6433%0.326SS*.THydrogen-bonded Turntrans-66-34.4175.2-74.8-152.8122.400112.8R140 S148R140-E146 IonicContact CZ-OE1 3.3Å; R140-E146 IonicContact NE-OE1 3.68Å; R140-E146 IonicContact NH2-OE1 2.67Å; R140-E146 PolarHBondContact NH2-OE1 3.49Å; E146-S148 PolarHBondContact O-N 3.48Å
147T58.6Low82.3Confident113 Ų11363.3 Ų63.369%0.69333%0.328SS*.THydrogen-bonded Turntrans-96.661.6174.138.60000110.8E145 L149E145-T147 VanDerWaalsContact C-N 3.34Å; T147-L149 PolarHBondContact O-N 2.76Å
148S69.2Low82.4Confident2 Ų262.5 Ų62.51%0.01432%0.323CS..  trans-59.3140.1173.277.10000110.7G139 E146 L150 L151 H152G139-S148 VanDerWaalsContact CA-CB 3.4Å; G139-S148 WeakPolarHBondContact CA-OG 3.41Å; E146-S148 PolarHBondContact O-N 3.48Å; S148-L150 PolarHBondContact O-N 3.42Å; S148-L150 VanDerWaalsContact O-N 3.12Å; S148-L151 PolarHBondContact O-N 2.72Å; S148-L151 WeakPolarHBondContact OG-CB 3.43Å; S148-L151 PolarHBondContact OG-N 2.91Å; S148-L151 VanDerWaalsContact OG-N 3.07Å; S148-H152 PolarHBondContact O-N 2.85Å
149L80.1Confident82.6Confident119 Ų11964.6 Ų64.662%0.62333%0.333SS*.Hα-helixtrans-50.1-36.2171.8177.264.3000111.4T147 H152 L153T147-L149 PolarHBondContact O-N 2.76Å; L149-H152 WeakPolarHBondContact O-CB 3.38Å; L149-H152 PolarHBondContact O-N 3.45Å; L149-L153 HydrophobicContact CD1-CD1 4.27Å; L149-L153 HydrophobicContact CD1-CG 4.25Å; L149-L153 HydrophobicContact CG-CD1 4.03Å; L149-L153 HydrophobicContact CG-CG 4.43Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.46Å; L149-L153 PolarHBondContact O-N 3.41Å
150L81.4Confident83.1Confident55 Ų5567 Ų6729%0.28835%0.353SS..Hα-helixtrans-59.7-50.2177.2-175.965.4000112F129 C138 S148 H152 L153 A154 L159F129-L150 HydrophobicContact CD1-CD1 4.42Å; F129-L150 HydrophobicContact CE1-CD1 3.96Å; F129-L150 HydrophobicContact CE1-CD2 3.72Å; F129-L150 HydrophobicContact CE1-CG 3.79Å; F129-L150 HydrophobicContact CZ-CD2 3.82Å; F129-L150 HydrophobicContact CZ-CG 4.4Å; C138-L150 HydrophobicContact CB-CD2 4.16Å; S148-L150 PolarHBondContact O-N 3.42Å; S148-L150 VanDerWaalsContact O-N 3.12Å; L150-H152 VanDerWaalsContact C-N 3.32Å; L150-H152 PolarHBondContact O-N 3.47Å; L150-L153 PolarHBondContact O-N 2.79Å; L150-A154 VanDerWaalsContact O-CB 3.28Å; L150-A154 WeakPolarHBondContact O-CB 3.29Å; L150-A154 PolarHBondContact O-N 2.91Å; L150-L159 HydrophobicContact CD1-CD1 4.38Å
151L83.1Confident83.4Confident21 Ų2164.7 Ų64.711%0.1135%0.345CS..Hα-helixtrans-61.5-43.1175.7176.160.7000111.1K132 A135 A136 S148 L153 A154 E155K132-L151 HydrophobicContact CD-CD1 4.49Å; K132-L151 HydrophobicContact CG-CD1 3.72Å; A135-L151 HydrophobicContact CB-CD1 4.33Å; A136-L151 HydrophobicContact CB-CD1 4.32Å; A136-L151 HydrophobicContact CB-CD2 4.02Å; S148-L151 PolarHBondContact O-N 2.72Å; S148-L151 WeakPolarHBondContact OG-CB 3.43Å; S148-L151 PolarHBondContact OG-N 2.91Å; S148-L151 VanDerWaalsContact OG-N 3.07Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 2.88Å; L151-A154 PolarHBondContact O-N 2.91Å; L151-E155 HydrophobicContact CD1-CG 4.34Å; L151-E155 WeakPolarHBondContact O-CG 2.99Å; L151-E155 PolarHBondContact O-N 3.41Å; L151-E155 VanDerWaalsContact O-N 3.09Å
152H86.9Confident83.9Confident96 Ų9670.7 Ų70.744%0.44437%0.372SS..Hα-helixtrans-58.5-46.4179-176.482.3000112S148 L149 L150 E155 W156S148-H152 PolarHBondContact O-N 2.85Å; L149-H152 WeakPolarHBondContact O-CB 3.38Å; L149-H152 PolarHBondContact O-N 3.45Å; L150-H152 VanDerWaalsContact C-N 3.32Å; L150-H152 PolarHBondContact O-N 3.47Å; H152-E155 PolarHBondContact O-N 3.47Å; H152-W156 AromaticContact CD2-CD1 3.84Å; H152-W156 AromaticContact CD2-NE1 3.91Å; H152-W156 AromaticContact CE1-NE1 3.45Å; H152-W156 PolarHBondContact CE1-NE1 2.76Å; H152-W156 AromaticContact NE2-CD1 3.54Å; H152-W156 AromaticContact NE2-NE1 3.13Å; H152-W156 PolarHBondContact NE2-NE1 2.74Å; H152-W156 VanDerWaalsContact NE2-NE1 3.13Å
153L88.1Confident84.6Confident79 Ų7967.6 Ų67.641%0.41437%0.366SS..Hα-helixtrans-67.1-43.5177.7-68.3171000111.9L149 L150 L151 E155 W156 A157 L159L149-L153 HydrophobicContact CD1-CD1 4.27Å; L149-L153 HydrophobicContact CD1-CG 4.25Å; L149-L153 HydrophobicContact CG-CD1 4.03Å; L149-L153 HydrophobicContact CG-CG 4.43Å; L149-L153 VanDerWaalsContact O-CG 3.31Å; L149-L153 WeakPolarHBondContact O-CG 3.46Å; L149-L153 PolarHBondContact O-N 3.41Å; L150-L153 PolarHBondContact O-N 2.79Å; L151-L153 VanDerWaalsContact C-N 3.34Å; L151-L153 PolarHBondContact O-N 2.88Å; L153-E155 PolarHBondContact O-N 3.49Å; L153-W156 PolarHBondContact O-N 3.43Å; L153-A157 PolarHBondContact O-N 3.02Å; L153-A157 VanDerWaalsContact O-N 3.15Å; L153-L159 HydrophobicContact CB-CD1 3.92Å
154A89.3Confident85.4Confident5 Ų569.1 Ų69.14%0.04136%0.364CS..Hα-helixtrans-62.2-21.8178.800000113F129 A135 L150 L151 L159 W326F129-A154 HydrophobicContact CD1-CB 4.49Å; A135-A154 HydrophobicContact CB-CB 4.09Å; L150-A154 VanDerWaalsContact O-CB 3.28Å; L150-A154 WeakPolarHBondContact O-CB 3.29Å; L150-A154 PolarHBondContact O-N 2.91Å; L151-A154 PolarHBondContact O-N 2.91Å; A154-L159 HydrophobicContact CB-CD1 4.28Å; A154-W326 PolarHBondContact O-NE1 3.33Å
155E92Very high86.6Confident26 Ų2667.3 Ų67.312%0.12134%0.341CS..THydrogen-bonded Turntrans-82.6-16.2173.1-73.2-178.2148.400114.1K132 L151 H152 L153 K283K132-E155 VanDerWaalsContact CE-OE1 3.25Å; K132-E155 WeakPolarHBondContact CE-OE1 3.16Å; K132-E155 IonicContact NZ-OE1 3.83Å; K132-E155 PolarHBondContact NZ-OE1 3.31Å; L151-E155 HydrophobicContact CD1-CG 4.34Å; L151-E155 WeakPolarHBondContact O-CG 2.99Å; L151-E155 PolarHBondContact O-N 3.41Å; L151-E155 VanDerWaalsContact O-N 3.09Å; H152-E155 PolarHBondContact O-N 3.47Å; L153-E155 PolarHBondContact O-N 3.49Å; E155-K283 HydrophobicContact CB-CD 4.2Å; E155-K283 VanDerWaalsContact CB-NZ 3.33Å; E155-K283 WeakPolarHBondContact OE2-CE 3.32Å; E155-K283 IonicContact OE2-NZ 2.7Å; E155-K283 PolarHBondContact OE2-NZ 2.75Å
156W91.7Very high88.2Confident121 Ų12165.4 Ų65.446%0.45834%0.342SS..THydrogen-bonded Turntrans-96.7-33.7-179.4-80.2113.3000113.6H152 L153 K283H152-W156 AromaticContact CD2-CD1 3.84Å; H152-W156 AromaticContact CD2-NE1 3.91Å; H152-W156 AromaticContact CE1-NE1 3.45Å; H152-W156 PolarHBondContact CE1-NE1 2.76Å; H152-W156 AromaticContact NE2-CD1 3.54Å; H152-W156 AromaticContact NE2-NE1 3.13Å; H152-W156 PolarHBondContact NE2-NE1 2.74Å; H152-W156 VanDerWaalsContact NE2-NE1 3.13Å; L153-W156 PolarHBondContact O-N 3.43Å; W156-K283 HydrophobicContact CD2-CD 4.23Å; W156-K283 HydrophobicContact CZ2-CD 4.2Å
157A93.9Very high90.3Very high20 Ų2059.7 Ų59.717%0.16532%0.317CS..SBendtrans-144.9149.7178.200000111L153 L159 W326L153-A157 PolarHBondContact O-N 3.02Å; L153-A157 VanDerWaalsContact O-N 3.15Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.41Å; A157-W326 VanDerWaalsContact C-CZ2 3.49Å; A157-W326 PolarHBondContact O-NE1 2.93Å
158P96.5Very high92.2Very high0 Ų054.6 Ų54.60%029%0.285CS..  trans-7292170.230.9-33000108.8F128 W326 Q331 H334F128-P158 HydrophobicContact CD1-CB 3.75Å; F128-P158 WeakPolarHBondContact CD1-O 3.27Å; F128-P158 HydrophobicContact CE1-CB 3.77Å; F128-P158 HydrophobicContact CE1-CG 4.14Å; F128-P158 VanDerWaalsContact CE1-O 3.29Å; F128-P158 WeakPolarHBondContact CE1-O 3.3Å; P158-W326 HydrophobicContact CB-CB 3.97Å; P158-W326 HydrophobicContact CB-CD2 3.88Å; P158-W326 HydrophobicContact CB-CG 3.6Å; P158-W326 HydrophobicContact CG-CD2 4.33Å; P158-W326 HydrophobicContact CG-CG 4.5Å; P158-Q331 HydrophobicContact CB-CG 4.43Å; P158-H334 HydrophobicContact CG-CB 3.38Å; P158-H334 VanDerWaalsContact CG-CG 3.48Å; P158-H334 PolarHBondContact O-CD2 2.87Å
159L96.5Very high93.6Very high53 Ų5356.1 Ų56.128%0.27729%0.294SS..  trans-63.4144.8178.3-58.4-180000110.4F128 F129 L150 L153 A154 A157F128-L159 CarbonylContact C-O 3.5Å; F128-L159 WeakPolarHBondContact CA-O 3.33Å; F128-L159 WeakPolarHBondContact CD1-O 3.22Å; F129-L159 HydrophobicContact CB-CB 4.29Å; F129-L159 PolarHBondContact N-O 2.95Å; L150-L159 HydrophobicContact CD1-CD1 4.38Å; L153-L159 HydrophobicContact CB-CD1 3.92Å; A154-L159 HydrophobicContact CB-CD1 4.28Å; A157-L159 VanDerWaalsContact C-N 3.34Å; A157-L159 PolarHBondContact O-N 3.41Å
160A97.8Very high94.5Very high51 Ų5151.7 Ų51.742%0.42127%0.273SS..EExtended strand (participates in β ladder)trans-156.6167.3-178.500000112T126 D127 F128T126-A160 HydrophobicContact CG2-CB 3.8Å; D127-A160 CarbonylContact O-C 3.46Å; D127-A160 WeakPolarHBondContact O-CA 3.46Å; D127-A160 WeakPolarHBondContact O-CB 3.34Å; F128-A160 HydrophobicContact CB-CB 4.43Å; F128-A160 HydrophobicContact CD1-CB 3.62Å; F128-A160 HydrophobicContact CD2-CB 4.09Å; F128-A160 HydrophobicContact CE1-CB 3.74Å; F128-A160 HydrophobicContact CE2-CB 4.18Å; F128-A160 HydrophobicContact CG-CB 3.8Å; F128-A160 HydrophobicContact CZ-CB 4.02Å
161Y98.4Very high95.3Very high50 Ų5050.6 Ų50.620%0.19627%0.27CS..EExtended strand (participates in β ladder)trans-140.7161.1169.265.3-77.2000110.5D127 G163 D235 P251 K255D127-Y161 HydrophobicContact CB-CD1 4.34Å; D127-Y161 HydrophobicContact CB-CE1 3.69Å; D127-Y161 HydrophobicContact CB-CE2 4.32Å; D127-Y161 PolarHBondContact N-O 2.87Å; D127-Y161 PolarHBondContact O-N 2.99Å; D127-Y161 WeakPolarHBondContact OD2-CE1 3.28Å; D127-Y161 PolarHBondContact OD2-OH 3.05Å; Y161-G163 PolarHBondContact O-N 2.89Å; Y161-D235 PolarHBondContact OH-OD2 2.76Å; Y161-P251 HydrophobicContact CE1-CG 4.33Å; Y161-P251 HydrophobicContact CE2-CB 4.11Å; Y161-P251 HydrophobicContact CE2-CG 4.28Å; Y161-K255 HydrophobicContact CE2-CG 4.49Å; Y161-K255 WeakPolarHBondContact OH-CE 3.45Å
162H98.8Very high96Very high147 Ų14752.3 Ų52.368%0.68129%0.292SS*.EExtended strand (participates in β ladder)trans-75.4119.6173.5-59.3-56.8000109.6
163G98.6Very high96.6Very high25 Ų2550 Ų5026%0.25829%0.285SS..  trans-81.9-172.4173.200000112.2Y125 Y161Y125-G163 WeakPolarHBondContact O-CA 3.44Å; Y125-G163 PolarHBondContact O-N 3.42Å; Y161-G163 PolarHBondContact O-N 2.89Å
164R98.8Very high97.1Very high138 Ų13849.6 Ų49.652%0.52129%0.288SS..  trans-109.3103.9-179.4-176.366-173.9176.40.6112S166 S167R164-S166 VanDerWaalsContact C-N 3.31Å; R164-S166 PolarHBondContact NE-OG 2.88Å; R164-S166 PolarHBondContact NH2-OG 2.9Å; R164-S166 PolarHBondContact O-N 3.39Å; R164-S167 WeakPolarHBondContact CB-OG 3.17Å; R164-S167 WeakPolarHBondContact CG-OG 3.4Å; R164-S167 PolarHBondContact O-N 2.8Å; R164-S167 PolarHBondContact O-OG 2.92Å
165S98.6Very high97.5Very high29 Ų2949.6 Ų49.620%0.20329%0.287CS..G310 helixtrans-61-35.3-179-43.30000113.9G123 Y125 S167 I168G123-S165 WeakPolarHBondContact O-CB 3.34Å; G123-S165 PolarHBondContact O-OG 3.1Å; Y125-S165 PolarHBondContact N-OG 3.36Å; S165-S167 VanDerWaalsContact C-N 3.26Å; S165-S167 PolarHBondContact O-N 2.94Å; S165-I168 PolarHBondContact O-N 2.7Å
166S98.7Very high97.8Very high87 Ų8753.1 Ų53.161%0.60830%0.299SS*.G310 helixtrans-70.5-18.6-174.173.20000114.6R164R164-S166 VanDerWaalsContact C-N 3.31Å; R164-S166 PolarHBondContact NE-OG 2.88Å; R164-S166 PolarHBondContact NH2-OG 2.9Å; R164-S166 PolarHBondContact O-N 3.39Å
167S98.8Very high98.2Very high16 Ų1648.4 Ų48.411%0.11228%0.282CS..G310 helixtrans-101.79.1-179.150.90000112.4R164 S165 S256 T259R164-S167 WeakPolarHBondContact CB-OG 3.17Å; R164-S167 WeakPolarHBondContact CG-OG 3.4Å; R164-S167 PolarHBondContact O-N 2.8Å; R164-S167 PolarHBondContact O-OG 2.92Å; S165-S167 VanDerWaalsContact C-N 3.26Å; S165-S167 PolarHBondContact O-N 2.94Å; S167-S256 WeakPolarHBondContact CB-O 3.41Å; S167-S256 PolarHBondContact OG-O 3.26Å; S167-S256 VanDerWaalsContact OG-O 3.1Å; S167-T259 PolarHBondContact O-N 2.88Å
168I98.9Very high98.4Very high7 Ų748.2 Ų48.24%0.03628%0.279CS..EExtended strand (participates in β ladder)trans-77.6126.4171.6-57.3171.1000108.4L118 I122 Y125 S165 T259 I261 L347L118-I168 WeakPolarHBondContact CD1-O 3.35Å; L118-I168 HydrophobicContact CD2-CG2 4.03Å; I122-I168 HydrophobicContact CB-CD1 4.37Å; I122-I168 HydrophobicContact CD1-CB 4.04Å; I122-I168 HydrophobicContact CD1-CD1 3.59Å; I122-I168 HydrophobicContact CD1-CG1 4.42Å; I122-I168 HydrophobicContact CD1-CG2 3.62Å; I122-I168 HydrophobicContact CG2-CD1 3.92Å; Y125-I168 HydrophobicContact CD1-CD1 3.76Å; Y125-I168 HydrophobicContact CD1-CG1 4.17Å; Y125-I168 HydrophobicContact CG-CD1 3.76Å; S165-I168 PolarHBondContact O-N 2.7Å; I168-T259 CarbonylContact C-O 3.55Å; I168-T259 VanDerWaalsContact CA-O 3.26Å; I168-T259 WeakPolarHBondContact CA-O 3.31Å; I168-I261 HydrophobicContact CG2-CD1 4.19Å; I168-I261 HydrophobicContact CG2-CG1 4.17Å; I168-I261 HydrophobicContact CG2-CG2 4.12Å; I168-L347 HydrophobicContact CD1-CD2 3.99Å
169V98.9Very high98.5Very high33 Ų3351.9 Ų51.920%0.229%0.293CS..EExtended strand (participates in β ladder)trans-129.2150.2-175.9-63.20000110.9T173 I175 T259 T260 I261V169-T173 HydrophobicContact CB-CG2 3.91Å; V169-T173 HydrophobicContact CG1-CG2 4.15Å; V169-T173 HydrophobicContact CG2-CG2 3.91Å; V169-I175 HydrophobicContact CG2-CD1 3.88Å; V169-T259 WeakPolarHBondContact CG2-O 3.3Å; V169-T259 PolarHBondContact N-O 2.83Å; V169-T260 WeakPolarHBondContact O-CA 3.49Å; V169-I261 PolarHBondContact O-N 2.89Å
170P98.5Very high98.5Very high27 Ų2749.6 Ų49.618%0.17528%0.282CS..EExtended strand (participates in β ladder)trans-72.2154.1175.731.7-33.6000110.4L118 T173L118-P170 HydrophobicContact CD2-CB 4.31Å; P170-T173 WeakPolarHBondContact O-CB 3.49Å; P170-T173 PolarHBondContact O-N 2.81Å; P170-T173 PolarHBondContact O-OG1 2.95Å
171S98.8Very high98.6Very high31 Ų3152.5 Ų52.522%0.21729%0.287CS..THydrogen-bonded Turntrans-42.7139.8169-1720000113T173 I261 N409 C410 A411S171-T173 VanDerWaalsContact C-N 3.35Å; S171-I261 PolarHBondContact N-O 3.04Å; S171-N409 VanDerWaalsContact CB-O 3.24Å; S171-N409 WeakPolarHBondContact CB-O 3.2Å; S171-N409 PolarHBondContact OG-O 2.82Å; S171-C410 WeakPolarHBondContact OG-CA 3.24Å; S171-A411 PolarHBondContact OG-N 2.88Å
172G98Very high98.5Very high57 Ų5750.4 Ų50.459%0.58828%0.279SS*.THydrogen-bonded Turntrans89.9-8.1-176.100000114.2C174 A411G172-C174 PolarHBondContact O-N 3.17Å; G172-A411 PolarHBondContact N-O 2.88Å
173T98.6Very high98.4Very high49 Ų4946.5 Ų46.530%0.30126%0.26SS..  trans-69.5126.8174.5-55.50000109.9V169 P170 S171 I175V169-T173 HydrophobicContact CB-CG2 3.91Å; V169-T173 HydrophobicContact CG1-CG2 4.15Å; V169-T173 HydrophobicContact CG2-CG2 3.91Å; P170-T173 WeakPolarHBondContact O-CB 3.49Å; P170-T173 PolarHBondContact O-N 2.81Å; P170-T173 PolarHBondContact O-OG1 2.95Å; S171-T173 VanDerWaalsContact C-N 3.35Å; T173-I175 HydrophobicContact CG2-CD1 4.38Å
174C98.5Very high98.2Very high69 Ų6947.2 Ų47.247%0.46626%0.26SS..  trans-70.2134.2172.3-66.70000110.1G172 K413 L415G172-C174 PolarHBondContact O-N 3.17Å; C174-K413 WeakPolarHBondContact CA-O 3.45Å; C174-L415 HydrophobicContact CB-CD1 3.71Å; C174-L415 HydrophobicContact CB-CD2 4.21Å; C174-L415 HydrophobicContact CB-CG 3.88Å
175I98.7Very high97.8Very high6 Ų646.5 Ų46.53%0.03127%0.274CS..EExtended strand (participates in β ladder)trans-106.1134.3-177.5-54.4-47.5000108.6V169 T173 W236 F257 A258 K413 L414 L415V169-I175 HydrophobicContact CG2-CD1 3.88Å; T173-I175 HydrophobicContact CG2-CD1 4.38Å; I175-W236 HydrophobicContact CG1-CD2 4.15Å; I175-W236 HydrophobicContact CG1-CG 4.47Å; I175-W236 HydrophobicContact CG1-CZ2 3.84Å; I175-W236 HydrophobicContact CG2-CD2 4.28Å; I175-W236 HydrophobicContact CG2-CG 4.32Å; I175-F257 HydrophobicContact CG2-CD2 4Å; I175-F257 HydrophobicContact CG2-CE2 3.8Å; I175-A258 HydrophobicContact CB-CB 4.41Å; I175-A258 HydrophobicContact CD1-CB 3.68Å; I175-A258 HydrophobicContact CG1-CB 4.15Å; I175-A258 HydrophobicContact CG2-CB 3.48Å; I175-A258 VanDerWaalsContact CG2-CB 3.48Å; I175-K413 PolarHBondContact N-O 3.24Å; I175-L414 CarbonylContact O-C 3.56Å; I175-L414 WeakPolarHBondContact O-CA 3.41Å; I175-L415 PolarHBondContact O-N 2.68Å
176R98.7Very high97.4Very high99 Ų9953 Ų5337%0.37431%0.306SS..EExtended strand (participates in β ladder)trans-95.9134.9179.8-169.4168.3-59.6-80.84.2110.9A416 H418R176-A416 WeakPolarHBondContact CG-O 3.19Å; R176-A416 PolarHBondContact NH1-O 3.13Å; R176-H418 WeakPolarHBondContact CD-CD2 3.25Å; R176-H418 WeakPolarHBondContact CD-NE2 3.14Å; R176-H418 VanDerWaalsContact CZ-NE2 3.28Å; R176-H418 PolarHBondContact NE-CD2 2.78Å; R176-H418 PolarHBondContact NE-CE1 3.15Å; R176-H418 PolarHBondContact NE-NE2 2.76Å; R176-H418 PolarHBondContact NH2-CE1 3.13Å
177R98.8Very high97.1Very high22 Ų2251 Ų518%0.08329%0.29CS..PPolyproline II helixtrans-54122.2171.9178.4177.2-58.9-79.5-5.1109.9P194 S195 V198 L386 D388 L414 L415 A417R177-P194 HydrophobicContact CG-CB 4.25Å; R177-S195 VanDerWaalsContact CD-O 3.27Å; R177-S195 WeakPolarHBondContact CD-O 3.4Å; R177-S195 PolarHBondContact NH1-O 3.28Å; R177-V198 HydrophobicContact CG-CG2 4.02Å; R177-L386 PolarHBondContact NH1-O 3.48Å; R177-L386 PolarHBondContact NH2-O 3.06Å; R177-D388 IonicContact CZ-OD1 2.79Å; R177-D388 IonicContact NE-OD1 2.87Å; R177-D388 PolarHBondContact NE-OD1 3.42Å; R177-D388 IonicContact NE-OD2 3.13Å; R177-D388 IonicContact NH2-OD1 2.69Å; R177-D388 PolarHBondContact NH2-OD1 2.98Å; R177-L414 HydrophobicContact CB-CD1 4.18Å; R177-L414 VanDerWaalsContact NH2-CD2 3.28Å; R177-L415 WeakPolarHBondContact CB-O 3.34Å; R177-L415 PolarHBondContact N-O 3.5Å; R177-A417 HydrophobicContact CB-CB 4.09Å; R177-A417 HydrophobicContact CG-CB 4.22Å; R177-A417 WeakPolarHBondContact O-CB 3.43Å
178P98.6Very high96.9Very high17 Ų1759.5 Ų59.511%0.1133%0.328CS..PPolyproline II helixtrans-75.4144.6-177.329.7-33.8000110.8P194 S195 A238 I241 F257P178-P194 WeakPolarHBondContact O-CA 3.46Å; P178-S195 PolarHBondContact O-N 2.87Å; P178-A238 HydrophobicContact CG-CB 3.66Å; P178-I241 HydrophobicContact CB-CD1 4.26Å; P178-I241 HydrophobicContact CG-CD1 4.16Å; P178-F257 HydrophobicContact CB-CB 4.05Å; P178-F257 HydrophobicContact CB-CD1 4.4Å; P178-F257 HydrophobicContact CB-CD2 4.31Å; P178-F257 HydrophobicContact CB-CG 4.01Å; P178-F257 HydrophobicContact CG-CB 4.46Å; P178-F257 HydrophobicContact CG-CD1 3.97Å; P178-F257 HydrophobicContact CG-CD2 3.97Å; P178-F257 HydrophobicContact CG-CE1 4.15Å; P178-F257 HydrophobicContact CG-CE2 4.14Å; P178-F257 HydrophobicContact CG-CG 3.87Å; P178-F257 HydrophobicContact CG-CZ 4.22Å
179W98.4Very high96.8Very high76 Ų7662 Ų6229%0.28835%0.35SS..EExtended strand (participates in β ladder)trans-84.1149.5157.9-76.680.1000109.1F192 E193 P194 H418 F420W179-F192 HydrophobicContact CB-CE2 3.92Å; W179-F192 HydrophobicContact CB-CZ 3.81Å; W179-F192 HydrophobicContact CD2-CE1 4.35Å; W179-F192 HydrophobicContact CD2-CZ 4.31Å; W179-F192 AromaticContact CE3-CD1 3.9Å; W179-F192 HydrophobicContact CE3-CD1 3.9Å; W179-F192 AromaticContact CE3-CE1 3.58Å; W179-F192 HydrophobicContact CE3-CE1 3.58Å; W179-F192 HydrophobicContact CE3-CE2 4.4Å; W179-F192 HydrophobicContact CE3-CG 4.44Å; W179-F192 AromaticContact CE3-CZ 3.86Å; W179-F192 HydrophobicContact CE3-CZ 3.86Å; W179-F192 HydrophobicContact CG-CZ 4.34Å; W179-F192 HydrophobicContact CZ3-CD1 4.15Å; W179-F192 HydrophobicContact CZ3-CE1 4.08Å; W179-E193 VanDerWaalsContact CE3-C 3.42Å; W179-E193 VanDerWaalsContact CE3-CA 3.49Å; W179-P194 HydrophobicContact CD2-CG 3.96Å; W179-P194 HydrophobicContact CE3-CG 4.31Å; W179-P194 HydrophobicContact CH2-CG 4Å; W179-P194 HydrophobicContact CZ2-CG 3.6Å; W179-P194 HydrophobicContact CZ3-CG 4.35Å; W179-H418 PolarHBondContact NE1-O 3.45Å; W179-F420 HydrophobicContact CB-CE2 3.91Å; W179-F420 AromaticContact CD1-CD2 3.74Å; W179-F420 AromaticContact CD1-CE2 3.61Å; W179-F420 AromaticContact CD2-CD2 3.51Å; W179-F420 HydrophobicContact CD2-CD2 3.51Å; W179-F420 AromaticContact CD2-CE2 3.81Å; W179-F420 HydrophobicContact CD2-CE2 3.81Å; W179-F420 AromaticContact CE2-CD2 3.45Å; W179-F420 VanDerWaalsContact CE2-CD2 3.45Å; W179-F420 HydrophobicContact CE3-CD2 4.04Å; W179-F420 HydrophobicContact CE3-CE2 4.46Å; W179-F420 AromaticContact CG-CD2 3.72Å; W179-F420 HydrophobicContact CG-CD2 3.72Å; W179-F420 AromaticContact CG-CE2 3.52Å; W179-F420 HydrophobicContact CG-CE2 3.52Å; W179-F420 HydrophobicContact CH2-CB 4.3Å; W179-F420 HydrophobicContact CH2-CD2 4.43Å; W179-F420 HydrophobicContact CZ2-CB 4.24Å; W179-F420 AromaticContact CZ2-CD2 3.96Å; W179-F420 HydrophobicContact CZ2-CD2 3.96Å; W179-F420 HydrophobicContact CZ3-CD2 4.46Å; W179-F420 AromaticContact NE1-CD2 3.55Å; W179-F420 AromaticContact NE1-CE2 3.93Å
180G97.8Very high96.7Very high6 Ų663 Ų636%0.06236%0.357CS..EExtended strand (participates in β ladder)trans-174.2173173.200000113.1E193G180-E193 PolarHBondContact N-O 3.19Å; G180-E193 VanDerWaalsContact N-O 3.14Å; G180-E193 PolarHBondContact O-N 3Å
181Q98Very high96.6Very high112 Ų11263.9 Ų63.952%0.52336%0.36SS..EExtended strand (participates in β ladder)trans-72.8134.5171.2-68.9-170.71.100110I191Q181-I191 CarbonylContact C-O 3.58Å; Q181-I191 VanDerWaalsContact CA-O 3.28Å; Q181-I191 WeakPolarHBondContact CA-O 3.42Å
182Q97Very high96.6Very high5 Ų567.5 Ų67.52%0.02337%0.372CS..EExtended strand (participates in β ladder)trans-135.4150.2178.7-56.2171.439.300108.5P190 I191 E193 P194 D240 I241Q182-P190 CarbonylContact O-C 3.49Å; Q182-P190 VanDerWaalsContact O-CA 3.27Å; Q182-P190 WeakPolarHBondContact O-CA 3.42Å; Q182-I191 HydrophobicContact CB-CG1 4.14Å; Q182-I191 PolarHBondContact N-O 3.35Å; Q182-I191 PolarHBondContact O-N 2.62Å; Q182-E193 PolarHBondContact NE2-O 2.85Å; Q182-P194 VanDerWaalsContact NE2-C 3.33Å; Q182-P194 PolarHBondContact NE2-O 2.82Å; Q182-D240 HydrophobicContact CB-CB 4.46Å; Q182-D240 HydrophobicContact CG-CB 4.04Å; Q182-D240 PolarHBondContact OE1-OD2 2.87Å; Q182-D240 VanDerWaalsContact OE1-OD2 3.12Å; Q182-I241 HydrophobicContact CG-CG1 3.99Å
183K96.4Very high96.5Very high66 Ų6668.2 Ų68.229%0.28736%0.36SS..  trans-125.778.5176.4-170.274.9-173.471.20111.4T187 E188 P190 W244K183-T187 VanDerWaalsContact NZ-C 3.31Å; K183-T187 PolarHBondContact NZ-O 3.27Å; K183-T187 PolarHBondContact NZ-OG1 3Å; K183-E188 WeakPolarHBondContact CE-O 3.21Å; K183-E188 PolarHBondContact NZ-O 2.92Å; K183-P190 HydrophobicContact CD-CB 4.09Å; K183-W244 HydrophobicContact CB-CB 4.35Å; K183-W244 HydrophobicContact CB-CD2 3.69Å; K183-W244 HydrophobicContact CB-CE3 3.31Å; K183-W244 HydrophobicContact CB-CG 4.14Å; K183-W244 HydrophobicContact CB-CZ3 3.86Å; K183-W244 HydrophobicContact CD-CE3 4.45Å; K183-W244 HydrophobicContact CD-CH2 4.42Å; K183-W244 HydrophobicContact CD-CZ3 4.15Å; K183-W244 HydrophobicContact CG-CE3 3.8Å; K183-W244 HydrophobicContact CG-CZ3 3.8Å
184P94.1Very high96.5Very high39 Ų3967.8 Ų67.825%0.25336%0.358SS..  trans-59.5150.8173.7-20.632000111.7D186 T187 I191P184-D186 VanDerWaalsContact C-N 3.26Å; P184-D186 PolarHBondContact O-N 2.96Å; P184-T187 HydrophobicContact CB-CG2 4.1Å; P184-T187 HydrophobicContact CG-CG2 4.15Å; P184-T187 PolarHBondContact O-N 3.03Å; P184-T187 PolarHBondContact O-OG1 3.03Å; P184-I191 HydrophobicContact CG-CD1 3.69Å; P184-I191 HydrophobicContact CG-CG1 4.25Å
185P90.5Very high96.5Very high124 Ų12464.6 Ų64.681%0.80534%0.336SS*.THydrogen-bonded Turntrans-55.9-36.7-178.5-26.334.7000114.2T187P185-T187 VanDerWaalsContact C-N 3.26Å; P185-T187 PolarHBondContact O-N 2.8Å
186D91.4Very high96.4Very high165 Ų16570.2 Ų70.288%0.88236%0.361SS*.THydrogen-bonded Turntrans-89.415.7-172-51.9-37000113.6P184P184-D186 VanDerWaalsContact C-N 3.26Å; P184-D186 PolarHBondContact O-N 2.96Å
187T92.5Very high96.4Very high46 Ų4667.1 Ų67.128%0.28235%0.351SS..  trans-112.2152.3178.461.20000110.1K183 P184 P185 A189 I191K183-T187 VanDerWaalsContact NZ-C 3.31Å; K183-T187 PolarHBondContact NZ-O 3.27Å; K183-T187 PolarHBondContact NZ-OG1 3Å; P184-T187 HydrophobicContact CB-CG2 4.1Å; P184-T187 HydrophobicContact CG-CG2 4.15Å; P184-T187 PolarHBondContact O-N 3.03Å; P184-T187 PolarHBondContact O-OG1 3.03Å; P185-T187 VanDerWaalsContact C-N 3.26Å; P185-T187 PolarHBondContact O-N 2.8Å; T187-A189 PolarHBondContact OG1-O 3.04Å; T187-I191 HydrophobicContact CG2-CG2 4.2Å
188E94.3Very high96.4Very high193 Ų19366.1 Ų66.190%0.90235%0.347SS*.SBendtrans-84-48.2172.7-169.9179.3175.800111.1K183K183-E188 WeakPolarHBondContact CE-O 3.21Å; K183-E188 PolarHBondContact NZ-O 2.92Å
189A96.3Very high96.4Very high60 Ų6065.3 Ų65.350%0.49634%0.342SS..SBendtrans-106.7159.1178.900000111.8T187T187-A189 PolarHBondContact OG1-O 3.04Å
190P97.2Very high96.4Very high55 Ų5561.7 Ų61.736%0.35733%0.328SS..  trans-61.6146.9169.827.6-34.8000111Q182 K183 W244Q182-P190 CarbonylContact O-C 3.49Å; Q182-P190 VanDerWaalsContact O-CA 3.27Å; Q182-P190 WeakPolarHBondContact O-CA 3.42Å; K183-P190 HydrophobicContact CD-CB 4.09Å; P190-W244 HydrophobicContact CB-CZ2 3.91Å; P190-W244 HydrophobicContact CG-CZ2 3.86Å
191I97.1Very high96.5Very high45 Ų4561.7 Ų61.723%0.23133%0.327CS..EExtended strand (participates in β ladder)trans-108.2158.5177.463.2173.7000110.1Q181 Q182 P184 T187 E193Q181-I191 CarbonylContact C-O 3.58Å; Q181-I191 VanDerWaalsContact CA-O 3.28Å; Q181-I191 WeakPolarHBondContact CA-O 3.42Å; Q182-I191 HydrophobicContact CB-CG1 4.14Å; Q182-I191 PolarHBondContact N-O 3.35Å; Q182-I191 PolarHBondContact O-N 2.62Å; P184-I191 HydrophobicContact CG-CD1 3.69Å; P184-I191 HydrophobicContact CG-CG1 4.25Å; T187-I191 HydrophobicContact CG2-CG2 4.2Å; I191-E193 HydrophobicContact CD1-CG 4.3Å
192F97.2Very high96.5Very high106 Ų10656.4 Ų56.447%0.46530%0.302SS..EExtended strand (participates in β ladder)trans-118.5104.1175.9177.8-110000109.8W179 F420W179-F192 HydrophobicContact CB-CE2 3.92Å; W179-F192 HydrophobicContact CB-CZ 3.81Å; W179-F192 HydrophobicContact CD2-CE1 4.35Å; W179-F192 HydrophobicContact CD2-CZ 4.31Å; W179-F192 AromaticContact CE3-CD1 3.9Å; W179-F192 HydrophobicContact CE3-CD1 3.9Å; W179-F192 AromaticContact CE3-CE1 3.58Å; W179-F192 HydrophobicContact CE3-CE1 3.58Å; W179-F192 HydrophobicContact CE3-CE2 4.4Å; W179-F192 HydrophobicContact CE3-CG 4.44Å; W179-F192 AromaticContact CE3-CZ 3.86Å; W179-F192 HydrophobicContact CE3-CZ 3.86Å; W179-F192 HydrophobicContact CG-CZ 4.34Å; W179-F192 HydrophobicContact CZ3-CD1 4.15Å; W179-F192 HydrophobicContact CZ3-CE1 4.08Å; F192-F420 HydrophobicContact CE1-CD1 4.41Å; F192-F420 HydrophobicContact CE1-CD2 4.29Å; F192-F420 HydrophobicContact CE1-CE1 4.38Å; F192-F420 HydrophobicContact CE1-CE2 4.25Å; F192-F420 HydrophobicContact CE1-CG 4.35Å; F192-F420 HydrophobicContact CE1-CZ 4.29Å; F192-F420 HydrophobicContact CZ-CD2 4.4Å; F192-F420 HydrophobicContact CZ-CE1 4.34Å; F192-F420 AromaticContact CZ-CE2 3.92Å; F192-F420 HydrophobicContact CZ-CE2 3.92Å; F192-F420 AromaticContact CZ-CZ 3.88Å; F192-F420 HydrophobicContact CZ-CZ 3.88Å
193E97Very high96.6Very high73 Ų7356.1 Ų56.134%0.34130%0.301SS..EExtended strand (participates in β ladder)trans-147.6166.2-173.6-71.5-172.5178.600110.5W179 G180 Q182 I191 K196W179-E193 VanDerWaalsContact CE3-C 3.42Å; W179-E193 VanDerWaalsContact CE3-CA 3.49Å; G180-E193 PolarHBondContact N-O 3.19Å; G180-E193 VanDerWaalsContact N-O 3.14Å; G180-E193 PolarHBondContact O-N 3Å; Q182-E193 PolarHBondContact NE2-O 2.85Å; I191-E193 HydrophobicContact CD1-CG 4.3Å; E193-K196 VanDerWaalsContact OE2-CE 3.23Å; E193-K196 WeakPolarHBondContact OE2-CE 3.43Å; E193-K196 IonicContact OE2-NZ 3.98Å; E193-K196 PolarHBondContact OE2-NZ 2.79Å
194P98.1Very high96.7Very high39 Ų3953.1 Ų53.125%0.25329%0.288SS..EExtended strand (participates in β ladder)trans-56.6141.8165.1-22.334.6000111R177 P178 W179 Q182 K196 A417R177-P194 HydrophobicContact CG-CB 4.25Å; P178-P194 WeakPolarHBondContact O-CA 3.46Å; W179-P194 HydrophobicContact CD2-CG 3.96Å; W179-P194 HydrophobicContact CE3-CG 4.31Å; W179-P194 HydrophobicContact CH2-CG 4Å; W179-P194 HydrophobicContact CZ2-CG 3.6Å; W179-P194 HydrophobicContact CZ3-CG 4.35Å; Q182-P194 VanDerWaalsContact NE2-C 3.33Å; Q182-P194 PolarHBondContact NE2-O 2.82Å; P194-K196 PolarHBondContact O-N 3.33Å; P194-A417 HydrophobicContact CB-CB 3.79Å; P194-A417 HydrophobicContact CG-CB 3.86Å
195S98.2Very high96.9Very high2 Ų251.3 Ų51.31%0.01428%0.276CS..  trans-59.2128.3174.8176.10000110.8R177 P178 M197 A238 D240R177-S195 VanDerWaalsContact CD-O 3.27Å; R177-S195 WeakPolarHBondContact CD-O 3.4Å; R177-S195 PolarHBondContact NH1-O 3.28Å; P178-S195 PolarHBondContact O-N 2.87Å; S195-M197 PolarHBondContact OG-N 3.29Å; S195-A238 WeakPolarHBondContact OG-CB 3.49Å; S195-D240 WeakPolarHBondContact CA-OD2 3.24Å; S195-D240 WeakPolarHBondContact CB-OD1 3.31Å; S195-D240 VanDerWaalsContact OG-CG 3.26Å; S195-D240 PolarHBondContact OG-OD1 3.37Å; S195-D240 PolarHBondContact OG-OD2 2.91Å
196K97Very high97.3Very high124 Ų12445.5 Ų45.554%0.53924%0.238SC..SBendtrans-89.6-15.3174.2-64.8170.5-174.5164.20111.9E193 P194 D240E193-K196 VanDerWaalsContact OE2-CE 3.23Å; E193-K196 WeakPolarHBondContact OE2-CE 3.43Å; E193-K196 IonicContact OE2-NZ 3.98Å; E193-K196 PolarHBondContact OE2-NZ 2.79Å; P194-K196 PolarHBondContact O-N 3.33Å; K196-D240 WeakPolarHBondContact CA-OD2 3.49Å; K196-D240 PolarHBondContact N-OD2 2.93Å
197M97.9Very high97.7Very high35 Ų3537.7 Ų37.717%0.17220%0.196CC..  trans-121.653.4-176.7-58.9175.969.100111.8S195 R239 D240 M243 F385S195-M197 PolarHBondContact OG-N 3.29Å; M197-R239 HydrophobicContact CB-CB 3.82Å; M197-R239 HydrophobicContact CB-CG 4.4Å; M197-R239 HydrophobicContact CE-CB 4.09Å; M197-R239 WeakPolarHBondContact O-CG 3.45Å; M197-R239 PolarHBondContact O-N 2.92Å; M197-D240 HydrophobicContact CB-CB 4.35Å; M197-D240 HydrophobicContact CG-CB 4.39Å; M197-D240 PolarHBondContact N-OD2 3.17Å; M197-D240 HydrophobicContact SD-CB 4.18Å; M197-M243 HydrophobicContact CE-CE 4.06Å; M197-M243 HydrophobicContact SD-CE 3.76Å; M197-F385 HydrophobicContact CB-CD1 4.01Å; M197-F385 HydrophobicContact CB-CD2 4.11Å; M197-F385 HydrophobicContact CB-CE1 4.14Å; M197-F385 HydrophobicContact CB-CE2 4.24Å; M197-F385 HydrophobicContact CB-CG 4Å; M197-F385 HydrophobicContact CB-CZ 4.27Å; M197-F385 HydrophobicContact CE-CD2 4.36Å; M197-F385 HydrophobicContact CE-CE1 4.04Å; M197-F385 HydrophobicContact CE-CE2 3.42Å; M197-F385 VanDerWaalsContact CE-CE2 3.42Å; M197-F385 HydrophobicContact CE-CZ 3.23Å; M197-F385 HydrophobicContact CG-CD2 3.93Å; M197-F385 HydrophobicContact CG-CE2 3.93Å; M197-F385 HydrophobicContact CG-CG 4.33Å; M197-F385 HydrophobicContact CG-CZ 4.33Å; M197-F385 HydrophobicContact SD-CE2 4.43Å
198V98.8Very high98Very high0 Ų035.5 Ų35.50%018%0.183CC..EExtended strand (participates in β ladder)trans-73.3136171.4-178.70000109.8R177 S237 F257 F385 L386 L414R177-V198 HydrophobicContact CG-CG2 4.02Å; V198-S237 CarbonylContact C-O 3.59Å; V198-S237 WeakPolarHBondContact CA-O 3.31Å; V198-F257 HydrophobicContact CG1-CZ 4.5Å; V198-F385 WeakPolarHBondContact O-CB 3.43Å; V198-L386 HydrophobicContact CB-CB 4.45Å; V198-L386 HydrophobicContact CG1-CB 4.44Å; V198-L386 HydrophobicContact CG1-CD1 4.35Å; V198-L386 WeakPolarHBondContact O-CB 3.1Å; V198-L386 WeakPolarHBondContact O-CG 3.25Å; V198-L386 PolarHBondContact O-N 3.49Å; V198-L414 HydrophobicContact CB-CD2 4Å; V198-L414 HydrophobicContact CG1-CD1 4.06Å; V198-L414 HydrophobicContact CG1-CD2 3.72Å; V198-L414 HydrophobicContact CG2-CD2 4.48Å
199D98.8Very high98.2Very high0 Ų026.3 Ų26.30%014%0.14CC..EExtended strand (participates in β ladder)trans-138.6158.7-169-161.81.8000110.6S237 R239 M364 L365 F385D199-S237 PolarHBondContact N-O 3.17Å; D199-S237 PolarHBondContact O-N 2.78Å; D199-R239 HydrophobicContact CB-CG 4.07Å; D199-R239 IonicContact OD2-CZ 2.74Å; D199-R239 IonicContact OD2-NE 3.57Å; D199-R239 PolarHBondContact OD2-NE 3.09Å; D199-R239 IonicContact OD2-NH2 3.85Å; D199-R239 PolarHBondContact OD2-NH2 3.03Å; D199-M364 VanDerWaalsContact OD1-CA 3.31Å; D199-M364 WeakPolarHBondContact OD1-CA 3.35Å; D199-M364 WeakPolarHBondContact OD1-CB 3.41Å; D199-M364 WeakPolarHBondContact OD1-CG 3.36Å; D199-M364 PolarHBondContact OD1-N 3.5Å; D199-L365 WeakPolarHBondContact OD2-CB 3.42Å; D199-L365 PolarHBondContact OD2-N 3.15Å; D199-F385 HydrophobicContact CB-CD1 4.29Å
200F98.8Very high98.3Very high0 Ų025 Ų250%013%0.126CC..  trans-101.1157.516577.4-91.6000109.2L202 N234 V303 I316 G362 C363 M364 L367 I392F200-L202 HydrophobicContact CE2-CB 4.16Å; F200-N234 WeakPolarHBondContact CA-OD1 3.27Å; F200-N234 WeakPolarHBondContact CB-OD1 3.5Å; F200-V303 HydrophobicContact CD1-CG1 4.48Å; F200-V303 HydrophobicContact CD2-CG1 4.08Å; F200-V303 HydrophobicContact CD2-CG2 4.33Å; F200-V303 HydrophobicContact CE1-CG1 4.22Å; F200-V303 HydrophobicContact CE2-CB 4.14Å; F200-V303 HydrophobicContact CE2-CG1 3.81Å; F200-V303 HydrophobicContact CE2-CG2 3.72Å; F200-V303 HydrophobicContact CG-CG1 4.43Å; F200-V303 HydrophobicContact CZ-CB 4.26Å; F200-V303 HydrophobicContact CZ-CG1 3.88Å; F200-V303 HydrophobicContact CZ-CG2 4.28Å; F200-I316 HydrophobicContact CD1-CD1 4.26Å; F200-I316 HydrophobicContact CE1-CD1 3.43Å; F200-I316 VanDerWaalsContact CE1-CD1 3.43Å; F200-I316 HydrophobicContact CE1-CG1 4.41Å; F200-I316 HydrophobicContact CZ-CD1 3.97Å; F200-G362 WeakPolarHBondContact CE2-O 3.18Å; F200-C363 WeakPolarHBondContact O-CA 3.4Å; F200-C363 WeakPolarHBondContact O-CB 3.2Å; F200-M364 HydrophobicContact CD1-CG 3.65Å; F200-M364 HydrophobicContact CD1-SD 4.18Å; F200-M364 HydrophobicContact CE1-CG 3.58Å; F200-M364 HydrophobicContact CE1-SD 3.7Å; F200-L367 HydrophobicContact CE1-CD1 4.28Å; F200-L367 HydrophobicContact CZ-CD1 4.01Å; F200-I392 HydrophobicContact CB-CG1 4.42Å; F200-I392 HydrophobicContact CB-CG2 4.03Å; F200-I392 HydrophobicContact CD1-CD1 4.1Å; F200-I392 HydrophobicContact CG-CG2 4.3Å
201E98.9Very high98.4Very high7 Ų723.6 Ų23.63%0.03312%0.122CC..BIsolated β-bridgetrans-126.9118166.4-71.1-167.1-169.800109.1E203 N234 D235 S237 R239 K255 T352 C363E201-E203 HydrophobicContact CB-CG 4.29Å; E201-E203 PolarHBondContact O-N 2.82Å; E201-N234 PolarHBondContact N-OD1 2.91Å; E201-N234 WeakPolarHBondContact O-CA 3.33Å; E201-N234 PolarHBondContact O-OD1 2.93Å; E201-D235 HydrophobicContact CB-CB 4.09Å; E201-D235 WeakPolarHBondContact CB-O 3.46Å; E201-D235 WeakPolarHBondContact CG-O 3.34Å; E201-D235 PolarHBondContact O-N 3.22Å; E201-S237 PolarHBondContact OE1-OG 3.42Å; E201-R239 VanDerWaalsContact CG-NH2 3.27Å; E201-R239 IonicContact OE1-CZ 3.14Å; E201-R239 IonicContact OE1-NH1 2.74Å; E201-R239 PolarHBondContact OE1-NH1 2.8Å; E201-R239 IonicContact OE1-NH2 2.76Å; E201-R239 PolarHBondContact OE1-NH2 2.64Å; E201-K255 IonicContact OE1-NZ 2.86Å; E201-K255 PolarHBondContact OE1-NZ 2.7Å; E201-K255 IonicContact OE2-NZ 2.68Å; E201-K255 PolarHBondContact OE2-NZ 3.3Å; E201-T352 VanDerWaalsContact CB-OG1 3.31Å; E201-T352 WeakPolarHBondContact CB-OG1 3.12Å; E201-T352 VanDerWaalsContact CG-OG1 3.22Å; E201-T352 WeakPolarHBondContact CG-OG1 3.27Å; E201-T352 PolarHBondContact OE2-OG1 2.99Å; E201-C363 HydrophobicContact CG-CB 4.32Å
202L98.9Very high98.5Very high0 Ų022.6 Ų22.60%012%0.117CC..EExtended strand (participates in β ladder)trans-72109.7176.8169.661.4000109.2F200 L301 V303 T352 V353 G362 L394F200-L202 HydrophobicContact CE2-CB 4.16Å; L202-L301 HydrophobicContact CD1-CB 4.11Å; L202-L301 HydrophobicContact CD1-CD1 4.37Å; L202-L301 HydrophobicContact CD2-CB 3.9Å; L202-L301 HydrophobicContact CD2-CD1 4.3Å; L202-L301 HydrophobicContact CG-CB 4.46Å; L202-L301 HydrophobicContact CG-CD1 4.36Å; L202-V303 HydrophobicContact CB-CG2 3.96Å; L202-V303 HydrophobicContact CD1-CG2 3.88Å; L202-V303 HydrophobicContact CD2-CG2 4.06Å; L202-V303 HydrophobicContact CG-CG2 4.17Å; L202-T352 CarbonylContact O-C 3.49Å; L202-T352 WeakPolarHBondContact O-CA 3.29Å; L202-V353 HydrophobicContact CG-CB 4.45Å; L202-V353 PolarHBondContact O-N 3.09Å; L202-G362 WeakPolarHBondContact CB-O 3.26Å; L202-G362 PolarHBondContact N-O 3.22Å; L202-L394 HydrophobicContact CD1-CD2 3.77Å; L202-L394 HydrophobicContact CD1-CG 3.79Å
203E98.9Very high98.5Very high0 Ų025 Ų250%013%0.13CC..EExtended strand (participates in β ladder)trans-134.3167.5179.5-58.2-156-167.300113.6E201 L233 A349 G351 T352E201-E203 HydrophobicContact CB-CG 4.29Å; E201-E203 PolarHBondContact O-N 2.82Å; E203-L233 CarbonylContact C-O 3.52Å; E203-L233 WeakPolarHBondContact CA-O 3.5Å; E203-L233 HydrophobicContact CB-CB 4.01Å; E203-L233 HydrophobicContact CB-CD2 3.71Å; E203-L233 HydrophobicContact CB-CG 4.48Å; E203-L233 WeakPolarHBondContact CB-O 3.38Å; E203-L233 HydrophobicContact CG-CD2 4.11Å; E203-L233 PolarHBondContact N-O 3.45Å; E203-L233 PolarHBondContact O-N 2.9Å; E203-L233 VanDerWaalsContact O-O 3.1Å; E203-A349 VanDerWaalsContact OE2-CB 3.28Å; E203-A349 WeakPolarHBondContact OE2-CB 3.36Å; E203-G351 VanDerWaalsContact OE1-C 3.3Å; E203-G351 WeakPolarHBondContact OE1-CA 3.08Å; E203-G351 VanDerWaalsContact OE2-CA 3.22Å; E203-G351 WeakPolarHBondContact OE2-CA 3.45Å; E203-G351 PolarHBondContact OE2-N 3.21Å; E203-T352 PolarHBondContact OE1-N 2.87Å; E203-T352 VanDerWaalsContact OE1-N 3.11Å
204T98.9Very high98.6Very high2 Ų227.8 Ų27.81%0.01215%0.146CC..EExtended strand (participates in β ladder)trans-123.5156.2161.362.70000108.3M230 V231 L232 L301 F321 A349 S350T204-M230 HydrophobicContact CG2-CE 4.31Å; T204-V231 CarbonylContact C-O 3.49Å; T204-V231 WeakPolarHBondContact CA-O 3.44Å; T204-L232 HydrophobicContact CG2-CD2 4.31Å; T204-L301 HydrophobicContact CG2-CD1 4.26Å; T204-L301 HydrophobicContact CG2-CD2 4.01Å; T204-F321 HydrophobicContact CG2-CD2 3.99Å; T204-F321 VanDerWaalsContact OG1-CD2 3.28Å; T204-F321 WeakPolarHBondContact OG1-CD2 3.22Å; T204-F321 WeakPolarHBondContact OG1-CE2 3.5Å; T204-A349 CarbonylContact O-C 3.56Å; T204-A349 WeakPolarHBondContact O-CA 3.43Å; T204-S350 PolarHBondContact N-OG 2.85Å; T204-S350 PolarHBondContact O-N 2.71Å; T204-S350 PolarHBondContact O-OG 2.9Å
205A99Very high98.6Very high1 Ų128.5 Ų28.51%0.00816%0.161CC..EExtended strand (participates in β ladder)trans-138.2153.917300000110.7M230 V231 L233 L347 I348 A349A205-M230 CarbonylContact O-C 3.57Å; A205-M230 WeakPolarHBondContact O-CA 3.46Å; A205-V231 HydrophobicContact CB-CG2 4.02Å; A205-V231 PolarHBondContact N-O 3.29Å; A205-V231 PolarHBondContact O-N 3.17Å; A205-L233 HydrophobicContact CB-CB 4.23Å; A205-L233 HydrophobicContact CB-CD1 3.86Å; A205-L347 HydrophobicContact CB-CD1 3.66Å; A205-L347 HydrophobicContact CB-CD2 4.25Å; A205-L347 HydrophobicContact CB-CG 3.81Å; A205-I348 CarbonylContact C-O 3.45Å; A205-I348 WeakPolarHBondContact CA-O 3.5Å; A205-I348 WeakPolarHBondContact CB-O 3.37Å; A205-A349 HydrophobicContact CB-CB 3.97Å
206F98.9Very high98.7Very high2 Ų232 Ų321%0.00918%0.182CC..EExtended strand (participates in β ladder)trans-113.3148.7172.567.5-92.9000111.7V208 I227 G229 M230 M328 L332 I348F206-V208 HydrophobicContact CE2-CG2 4.22Å; F206-I227 HydrophobicContact CB-CG2 3.9Å; F206-I227 HydrophobicContact CD2-CB 4.4Å; F206-I227 HydrophobicContact CD2-CG1 3.92Å; F206-I227 HydrophobicContact CD2-CG2 3.91Å; F206-I227 HydrophobicContact CE2-CD1 4.45Å; F206-I227 HydrophobicContact CE2-CG1 3.89Å; F206-I227 HydrophobicContact CG-CG2 4.05Å; F206-G229 CarbonylContact C-O 3.52Å; F206-G229 VanDerWaalsContact CA-O 3.22Å; F206-G229 WeakPolarHBondContact CA-O 3.48Å; F206-G229 WeakPolarHBondContact CB-O 3.46Å; F206-M230 HydrophobicContact CB-CG 4.25Å; F206-M328 HydrophobicContact CB-SD 3.85Å; F206-M328 HydrophobicContact CD1-CB 3.85Å; F206-M328 HydrophobicContact CD1-CG 3.59Å; F206-M328 HydrophobicContact CD1-SD 3.71Å; F206-M328 HydrophobicContact CE1-CB 3.77Å; F206-M328 HydrophobicContact CE1-CG 3.92Å; F206-M328 HydrophobicContact CG-CG 4.45Å; F206-M328 HydrophobicContact CG-SD 4.05Å; F206-M328 HydrophobicContact CZ-CB 4.49Å; F206-L332 HydrophobicContact CE2-CD2 4.49Å; F206-L332 HydrophobicContact CZ-CB 4.11Å; F206-I348 HydrophobicContact CD1-CB 4.03Å; F206-I348 HydrophobicContact CD1-CG2 4.2Å; F206-I348 WeakPolarHBondContact CD1-O 3.34Å; F206-I348 HydrophobicContact CD2-CB 4.29Å; F206-I348 HydrophobicContact CE1-CB 3.51Å; F206-I348 HydrophobicContact CE1-CD1 4.5Å; F206-I348 HydrophobicContact CE1-CG2 3.35Å; F206-I348 HydrophobicContact CE2-CB 3.79Å; F206-I348 HydrophobicContact CE2-CD1 3.65Å; F206-I348 HydrophobicContact CE2-CG1 4.12Å; F206-I348 HydrophobicContact CE2-CG2 4.36Å; F206-I348 HydrophobicContact CG-CB 4.41Å; F206-I348 HydrophobicContact CZ-CB 3.39Å; F206-I348 HydrophobicContact CZ-CD1 3.53Å; F206-I348 HydrophobicContact CZ-CG1 3.98Å; F206-I348 HydrophobicContact CZ-CG2 3.46Å; F206-I348 VanDerWaalsContact CZ-CG2 3.46Å; F206-I348 PolarHBondContact N-O 3.23Å; F206-I348 PolarHBondContact O-N 3.04Å
207L98.9Very high98.7Very high1 Ų129 Ų291%0.00518%0.175CC..EExtended strand (participates in β ladder)trans-92.2132.3172-75.3168.7000110.2L72 P119 A120 F228 G229 V265 G345 D346 L347L72-L207 HydrophobicContact CD1-CB 4.4Å; L72-L207 HydrophobicContact CD1-CD1 4.49Å; P119-L207 HydrophobicContact CB-CD1 4.48Å; P119-L207 HydrophobicContact CG-CD1 4.18Å; A120-L207 HydrophobicContact CB-CD2 4.28Å; L207-F228 PolarHBondContact O-N 2.77Å; L207-G229 PolarHBondContact N-O 2.81Å; L207-V265 HydrophobicContact CD1-CB 4.42Å; L207-V265 HydrophobicContact CD1-CG1 3.95Å; L207-V265 HydrophobicContact CD1-CG2 3.56Å; L207-G345 WeakPolarHBondContact CD2-O 3.36Å; L207-D346 WeakPolarHBondContact CA-O 3.45Å; L207-L347 HydrophobicContact CD2-CD1 3.78Å; L207-L347 HydrophobicContact CG-CD1 4.12Å
208V98.9Very high98.8Very high0 Ų027.6 Ų27.60%017%0.169CC..EExtended strand (participates in β ladder)trans-71.4131.1171.9177.90000109.6F206 H226 V342 K343 P344 G345 D346 I348F206-V208 HydrophobicContact CE2-CG2 4.22Å; V208-H226 CarbonylContact C-O 3.54Å; V208-H226 WeakPolarHBondContact CA-O 3.32Å; V208-V342 HydrophobicContact CG1-CB 4.04Å; V208-V342 HydrophobicContact CG1-CG2 3.73Å; V208-V342 HydrophobicContact CG2-CB 4.25Å; V208-V342 HydrophobicContact CG2-CG2 4.45Å; V208-K343 WeakPolarHBondContact CB-O 3.38Å; V208-K343 WeakPolarHBondContact CG1-O 3.46Å; V208-P344 WeakPolarHBondContact O-CA 3.35Å; V208-G345 PolarHBondContact O-N 3.38Å; V208-D346 HydrophobicContact CB-CB 4.14Å; V208-D346 HydrophobicContact CG2-CB 3.96Å; V208-D346 PolarHBondContact N-O 2.97Å; V208-I348 HydrophobicContact CG2-CD1 3.93Å; V208-I348 HydrophobicContact CG2-CG1 4.42Å
209G98.9Very high98.7Very high0 Ų030.2 Ų30.20%019%0.187CC..  trans-82.6-122.1171.400000111.5L72 G211 H226 P344L72-G209 CarbonylContact O-C 3.57Å; L72-G209 VanDerWaalsContact O-C 3.31Å; L72-G209 WeakPolarHBondContact O-CA 3.17Å; G209-G211 PolarHBondContact O-N 2.97Å; G209-H226 PolarHBondContact N-O 3.32Å; G209-P344 WeakPolarHBondContact O-CA 3.34Å; G209-P344 VanDerWaalsContact O-CB 3.25Å; G209-P344 WeakPolarHBondContact O-CB 3.18Å; G209-P344 VanDerWaalsContact O-CG 3.24Å; G209-P344 WeakPolarHBondContact O-CG 3.5Å
210P98.8Very high98.7Very high32 Ų3231 Ų3121%0.20819%0.191CC..SBendtrans-54.3136.7168.1-24.534.8000110.8L72 G75 H226L72-P210 WeakPolarHBondContact O-CD 3.4Å; G75-P210 VanDerWaalsContact CA-CG 3.46Å; P210-H226 PolarHBondContact O-ND1 2.87Å
211G98.6Very high98.5Very high26 Ų2636.5 Ų36.527%0.26822%0.22SC..  trans-77.9-165.3173.400000113.1G209 H226 V342G209-G211 PolarHBondContact O-N 2.97Å; G211-H226 PolarHBondContact O-CE1 2.9Å; G211-H226 PolarHBondContact O-ND1 3.45Å; G211-V342 WeakPolarHBondContact CA-O 3.41Å
212N98.7Very high98.5Very high24 Ų2441.6 Ų41.613%0.12824%0.242CC..  trans-128.1157.8165.762.9-59.9000110.6T216 I218 C340 N341 V342N212-T216 WeakPolarHBondContact CB-O 3.23Å; N212-T216 PolarHBondContact ND2-O 2.93Å; N212-I218 HydrophobicContact CB-CD1 4.03Å; N212-I218 HydrophobicContact CB-CG1 3.74Å; N212-C340 PolarHBondContact ND2-O 3.42Å; N212-N341 VanDerWaalsContact O-CB 3.29Å; N212-N341 WeakPolarHBondContact O-CB 3.49Å; N212-N341 WeakPolarHBondContact OD1-CA 3.22Å; N212-V342 PolarHBondContact N-O 2.86Å; N212-V342 WeakPolarHBondContact OD1-CG2 3.4Å; N212-V342 PolarHBondContact OD1-N 3.12Å
213E98.6Very high98.4Very high156 Ų15641.6 Ų41.673%0.72924%0.242SC*.  trans-71143.5172.4-65.5-176.6175.200110.3G215 T216E213-G215 PolarHBondContact O-N 3Å; E213-T216 WeakPolarHBondContact O-CB 3.09Å; E213-T216 PolarHBondContact O-N 2.96Å
214L98.6Very high98.3Very high132 Ų13244.7 Ų44.769%0.69126%0.264SS*.THydrogen-bonded Turntrans-58128.8175-178.670.9000109.6N341L214-N341 HydrophobicContact CB-CB 4.22Å; L214-N341 HydrophobicContact CD1-CB 4.46Å; L214-N341 WeakPolarHBondContact CD1-OD1 3.35Å
215G98.5Very high98.3Very high55 Ų5549.4 Ų49.457%0.56729%0.286SS*.THydrogen-bonded Turntrans89-3.3-174.400000114.7E213 P217 G339E213-G215 PolarHBondContact O-N 3Å; G215-P217 WeakPolarHBondContact O-CD 3.41Å; G215-G339 PolarHBondContact N-O 3.45Å
216T98.6Very high98.3Very high74 Ų7450.5 Ų50.545%0.45429%0.291SS..  trans-116.499.7-177.2-55.90000111N212 E213N212-T216 WeakPolarHBondContact CB-O 3.23Å; N212-T216 PolarHBondContact ND2-O 2.93Å; E213-T216 WeakPolarHBondContact O-CB 3.09Å; E213-T216 PolarHBondContact O-N 2.96Å
217P98.5Very high98.3Very high61 Ų6150.7 Ų50.740%0.39629%0.292SS..  trans-62.6151.1-179.6-25.335.7000114.2G215 T336G215-P217 WeakPolarHBondContact O-CD 3.41Å; P217-T336 WeakPolarHBondContact CA-O 3.26Å; P217-T336 WeakPolarHBondContact CB-O 3.27Å
218I98.7Very high98.3Very high6 Ų650.8 Ų50.83%0.03129%0.293CS..  trans-89115.7167.8-57.6172.7000107.8N212 K222 T223 H226 L332 T336 V342N212-I218 HydrophobicContact CB-CD1 4.03Å; N212-I218 HydrophobicContact CB-CG1 3.74Å; I218-K222 HydrophobicContact CG2-CB 4.2Å; I218-T223 HydrophobicContact CG2-CG2 3.82Å; I218-H226 HydrophobicContact CD1-CB 4.24Å; I218-H226 VanDerWaalsContact CG2-CD2 3.49Å; I218-H226 WeakPolarHBondContact CG2-CD2 3.3Å; I218-L332 HydrophobicContact CD1-CD1 4.28Å; I218-L332 HydrophobicContact CD1-CD2 4.28Å; I218-L332 HydrophobicContact CD1-CG 4.27Å; I218-T336 HydrophobicContact CD1-CG2 3.97Å; I218-T336 HydrophobicContact CG1-CG2 4.18Å; I218-T336 PolarHBondContact N-OG1 3.47Å; I218-V342 HydrophobicContact CD1-CG2 3.86Å
219S98Very high98.3Very high56 Ų5650.8 Ų50.839%0.39229%0.293SS..  trans-65.8147.5174.964.40000110.8D221 K222 T223S219-D221 PolarHBondContact O-N 3.14Å; S219-D221 VanDerWaalsContact O-N 3.09Å; S219-K222 PolarHBondContact O-N 3.32Å; S219-K222 WeakPolarHBondContact OG-CG 3.33Å; S219-T223 PolarHBondContact O-N 2.99Å
220I97.5Very high98.3Very high15 Ų1550.8 Ų50.88%0.07729%0.293CS..G310 helixtrans-48.5-41.2-179.3-171.164.4000113.1K222 T223 Y288 R290 C291 N329 Q330 A333I220-K222 VanDerWaalsContact C-N 3.28Å; I220-K222 PolarHBondContact O-N 2.87Å; I220-T223 PolarHBondContact O-N 3.03Å; I220-T223 PolarHBondContact O-OG1 3.46Å; I220-Y288 WeakPolarHBondContact CB-O 3.3Å; I220-R290 VanDerWaalsContact CG2-O 3.29Å; I220-R290 WeakPolarHBondContact CG2-O 3.43Å; I220-C291 HydrophobicContact CD1-CB 4.34Å; I220-C291 HydrophobicContact CG1-CB 3.88Å; I220-N329 VanDerWaalsContact CD1-C 3.41Å; I220-N329 HydrophobicContact CD1-CB 3.89Å; I220-N329 WeakPolarHBondContact CD1-O 3.19Å; I220-Q330 HydrophobicContact CD1-CG 4.01Å; I220-A333 HydrophobicContact CB-CB 4.13Å; I220-A333 HydrophobicContact CD1-CB 3.7Å
221D96.3Very high98.3Very high116 Ų11649.3 Ų49.362%0.6228%0.283SS*.G310 helixtrans-67.2-25.8-179.7-52.8-40.5000113.9S219S219-D221 PolarHBondContact O-N 3.14Å; S219-D221 VanDerWaalsContact O-N 3.09Å
222K97.3Very high98.3Very high114 Ų11448 Ų4850%0.49627%0.27SS..G310 helixtrans-91.3-16.5-179.4-71.3-174.2176.6-172.30113.2I218 S219 I220 S224 E225 H226I218-K222 HydrophobicContact CG2-CB 4.2Å; S219-K222 PolarHBondContact O-N 3.32Å; S219-K222 WeakPolarHBondContact OG-CG 3.33Å; I220-K222 VanDerWaalsContact C-N 3.28Å; I220-K222 PolarHBondContact O-N 2.87Å; K222-S224 PolarHBondContact O-N 2.88Å; K222-E225 VanDerWaalsContact O-CB 3.3Å; K222-E225 WeakPolarHBondContact O-CB 3.19Å; K222-E225 PolarHBondContact O-N 2.96Å; K222-H226 PolarHBondContact O-CD2 2.94Å; K222-H226 VanDerWaalsContact O-CD2 3.28Å
223T98Very high98.3Very high0 Ų046.9 Ų46.90%026%0.264CS..G310 helixtrans-52.2-33.2-175.254.90000113.8I218 S219 I220 E225 H226 I227 N329 L332 A333I218-T223 HydrophobicContact CG2-CG2 3.82Å; S219-T223 PolarHBondContact O-N 2.99Å; I220-T223 PolarHBondContact O-N 3.03Å; I220-T223 PolarHBondContact O-OG1 3.46Å; T223-E225 PolarHBondContact O-N 2.8Å; T223-H226 PolarHBondContact O-N 2.97Å; T223-I227 WeakPolarHBondContact O-CG1 3.42Å; T223-I227 PolarHBondContact O-N 2.83Å; T223-N329 WeakPolarHBondContact CG2-O 3.44Å; T223-N329 WeakPolarHBondContact OG1-CB 3.49Å; T223-N329 PolarHBondContact OG1-ND2 2.95Å; T223-L332 HydrophobicContact CG2-CB 4.11Å; T223-L332 HydrophobicContact CG2-CD2 4.26Å; T223-L332 HydrophobicContact CG2-CG 4.22Å; T223-A333 HydrophobicContact CG2-CB 4.03Å
224S96.4Very high98.3Very high66 Ų6639.5 Ų39.546%0.46223%0.229SC..G310 helixtrans-62.9-21.717771.60000114.4K222 H226K222-S224 PolarHBondContact O-N 2.88Å; S224-H226 VanDerWaalsContact C-N 3.28Å
225E98.2Very high98.3Very high101 Ų10133.3 Ų33.347%0.47220%0.197SC..G310 helixtrans-78.6-16.2175.8-57.8174.9-169.400112.4P76 K222 T223P76-E225 WeakPolarHBondContact CD-O 3.38Å; P76-E225 HydrophobicContact CG-CB 4.06Å; P76-E225 WeakPolarHBondContact CG-O 3.35Å; K222-E225 VanDerWaalsContact O-CB 3.3Å; K222-E225 WeakPolarHBondContact O-CB 3.19Å; K222-E225 PolarHBondContact O-N 2.96Å; T223-E225 PolarHBondContact O-N 2.8Å
226H98.8Very high98.3Very high24 Ų2430.7 Ų30.711%0.11117%0.17CC..THydrogen-bonded Turntrans-107.2-5.2-175.6-62.9-91.7000113.1V208 G209 P210 G211 I218 K222 T223 S224 L332V208-H226 CarbonylContact C-O 3.54Å; V208-H226 WeakPolarHBondContact CA-O 3.32Å; G209-H226 PolarHBondContact N-O 3.32Å; P210-H226 PolarHBondContact O-ND1 2.87Å; G211-H226 PolarHBondContact O-CE1 2.9Å; G211-H226 PolarHBondContact O-ND1 3.45Å; I218-H226 HydrophobicContact CD1-CB 4.24Å; I218-H226 VanDerWaalsContact CG2-CD2 3.49Å; I218-H226 WeakPolarHBondContact CG2-CD2 3.3Å; K222-H226 PolarHBondContact O-CD2 2.94Å; K222-H226 VanDerWaalsContact O-CD2 3.28Å; T223-H226 PolarHBondContact O-N 2.97Å; S224-H226 VanDerWaalsContact C-N 3.28Å; H226-L332 HydrophobicContact CB-CD2 3.67Å
227I98.8Very high98.4Very high6 Ų627.2 Ų27.23%0.03115%0.148CC..EExtended strand (participates in β ladder)trans-104.6109.2-179.7-60.9166.4000108.6F206 T223 M268 M328 L332F206-I227 HydrophobicContact CB-CG2 3.9Å; F206-I227 HydrophobicContact CD2-CB 4.4Å; F206-I227 HydrophobicContact CD2-CG1 3.92Å; F206-I227 HydrophobicContact CD2-CG2 3.91Å; F206-I227 HydrophobicContact CE2-CD1 4.45Å; F206-I227 HydrophobicContact CE2-CG1 3.89Å; F206-I227 HydrophobicContact CG-CG2 4.05Å; T223-I227 WeakPolarHBondContact O-CG1 3.42Å; T223-I227 PolarHBondContact O-N 2.83Å; I227-M268 HydrophobicContact CB-CG 4.39Å; I227-M268 HydrophobicContact CG2-CG 3.73Å; I227-M268 HydrophobicContact CG2-SD 3.8Å; I227-M268 WeakPolarHBondContact O-CG 3.48Å; I227-M328 HydrophobicContact CD1-CB 3.92Å; I227-L332 HydrophobicContact CD1-CD2 4.4Å; I227-L332 HydrophobicContact CG1-CD2 3.96Å
228F98.9Very high98.4Very high3 Ų324.3 Ų24.31%0.01313%0.13CC..EExtended strand (participates in β ladder)trans-76.5-49.9-177.5170.9-108.4000112.6Y19 L68 F71 L72 W79 L207 V265 T267 M268Y19-F228 HydrophobicContact CD2-CE1 4.36Å; Y19-F228 AromaticContact CD2-CZ 3.65Å; Y19-F228 HydrophobicContact CD2-CZ 3.65Å; Y19-F228 HydrophobicContact CE2-CZ 4.08Å; Y19-F228 HydrophobicContact CG-CZ 4.09Å; L68-F228 HydrophobicContact CD1-CE1 4.45Å; F71-F228 HydrophobicContact CD1-CE2 4.26Å; F71-F228 HydrophobicContact CD1-CZ 4.31Å; F71-F228 AromaticContact CE1-CE2 3.64Å; F71-F228 HydrophobicContact CE1-CE2 3.64Å; F71-F228 AromaticContact CE1-CZ 3.82Å; F71-F228 HydrophobicContact CE1-CZ 3.82Å; F71-F228 HydrophobicContact CZ-CE2 4.43Å; L72-F228 HydrophobicContact CD2-CB 3.68Å; L72-F228 HydrophobicContact CD2-CD1 3.2Å; L72-F228 HydrophobicContact CD2-CD2 3.63Å; L72-F228 HydrophobicContact CD2-CE1 3.62Å; L72-F228 HydrophobicContact CD2-CE2 4.01Å; L72-F228 HydrophobicContact CD2-CG 3.2Å; L72-F228 HydrophobicContact CD2-CZ 4Å; W79-F228 HydrophobicContact CB-CE2 4.5Å; W79-F228 AromaticContact CD2-CD2 3.58Å; W79-F228 HydrophobicContact CD2-CD2 3.58Å; W79-F228 HydrophobicContact CD2-CE2 4.14Å; W79-F228 AromaticContact CE2-CD2 3.57Å; W79-F228 AromaticContact CE3-CD2 3.93Å; W79-F228 HydrophobicContact CE3-CD2 3.93Å; W79-F228 AromaticContact CG-CD2 3.93Å; W79-F228 HydrophobicContact CG-CD2 3.93Å; W79-F228 AromaticContact CG-CE2 3.99Å; W79-F228 HydrophobicContact CG-CE2 3.99Å; W79-F228 HydrophobicContact CH2-CB 3.9Å; W79-F228 HydrophobicContact CH2-CD2 4.3Å; W79-F228 HydrophobicContact CZ2-CB 4.02Å; W79-F228 AromaticContact CZ2-CD2 3.91Å; W79-F228 HydrophobicContact CZ2-CD2 3.91Å; W79-F228 HydrophobicContact CZ2-CG 4.43Å; W79-F228 HydrophobicContact CZ3-CB 4.26Å; W79-F228 HydrophobicContact CZ3-CD2 4.31Å; W79-F228 AromaticContact NE1-CD2 3.89Å; L207-F228 PolarHBondContact O-N 2.77Å; F228-V265 HydrophobicContact CD1-CG1 3.6Å; F228-V265 HydrophobicContact CE1-CB 4.12Å; F228-V265 HydrophobicContact CE1-CG1 3.57Å; F228-T267 HydrophobicContact CE1-CG2 4.37Å; F228-T267 HydrophobicContact CE2-CG2 4.18Å; F228-T267 HydrophobicContact CZ-CG2 3.91Å; F228-M268 PolarHBondContact O-N 3.03Å
229G98.9Very high98.3Very high0 Ų024.5 Ų24.50%013%0.13CC..EExtended strand (participates in β ladder)trans178.8178.3-171.900000111.9F206 L207 V266F206-G229 CarbonylContact C-O 3.52Å; F206-G229 VanDerWaalsContact CA-O 3.22Å; F206-G229 WeakPolarHBondContact CA-O 3.48Å; F206-G229 WeakPolarHBondContact CB-O 3.46Å; L207-G229 PolarHBondContact N-O 2.81Å; G229-V266 CarbonylContact C-O 3.31Å; G229-V266 WeakPolarHBondContact CA-O 3.41Å
230M98.9Very high98.3Very high0 Ų022.4 Ų22.40%011%0.114CC..EExtended strand (participates in β ladder)trans-121.2155-169.9-65.4178.27500112.6T204 A205 F206 V265 V266 M268 L271 I299 F321 M328 F407T204-M230 HydrophobicContact CG2-CE 4.31Å; A205-M230 CarbonylContact O-C 3.57Å; A205-M230 WeakPolarHBondContact O-CA 3.46Å; F206-M230 HydrophobicContact CB-CG 4.25Å; M230-V265 WeakPolarHBondContact O-CA 3.39Å; M230-V266 PolarHBondContact N-O 2.79Å; M230-V266 PolarHBondContact O-N 2.85Å; M230-M268 HydrophobicContact CG-SD 3.92Å; M230-M268 HydrophobicContact SD-SD 4.3Å; M230-L271 HydrophobicContact CB-CD1 4.31Å; M230-L271 HydrophobicContact CG-CD1 4.1Å; M230-L271 HydrophobicContact SD-CD1 3.54Å; M230-L271 VanDerWaalsContact SD-CD1 3.54Å; M230-I299 HydrophobicContact CE-CD1 3.93Å; M230-I299 HydrophobicContact SD-CD1 4Å; M230-F321 HydrophobicContact CE-CD2 3.83Å; M230-F321 HydrophobicContact CE-CE2 3.38Å; M230-F321 HydrophobicContact CE-CZ 3.81Å; M230-M328 HydrophobicContact CE-CE 4.28Å; M230-M328 HydrophobicContact CE-SD 3.81Å; M230-M328 HydrophobicContact CG-CE 4.32Å; M230-M328 HydrophobicContact CG-SD 3.85Å; M230-M328 HydrophobicContact SD-CE 3.61Å; M230-M328 HydrophobicContact SD-SD 3.66Å; M230-M328 VanDerWaalsContact SD-SD 3.66Å; M230-F407 HydrophobicContact CB-CE1 3.7Å; M230-F407 HydrophobicContact CB-CZ 4.18Å; M230-F407 WeakPolarHBondContact O-CE1 3.46Å
231V99Very high98.3Very high0 Ų021.9 Ų21.90%011%0.112CC..EExtended strand (participates in β ladder)trans-131.5160.1169.8-65.20000109.4T204 A205 I261 S262 V265 L347T204-V231 CarbonylContact C-O 3.49Å; T204-V231 WeakPolarHBondContact CA-O 3.44Å; A205-V231 HydrophobicContact CB-CG2 4.02Å; A205-V231 PolarHBondContact N-O 3.29Å; A205-V231 PolarHBondContact O-N 3.17Å; V231-I261 HydrophobicContact CG2-CB 4.16Å; V231-I261 HydrophobicContact CG2-CG2 4.23Å; V231-S262 WeakPolarHBondContact CA-OG 3.37Å; V231-S262 WeakPolarHBondContact CB-OG 3.28Å; V231-V265 HydrophobicContact CG1-CB 4.37Å; V231-V265 HydrophobicContact CG1-CG2 3.9Å; V231-L347 HydrophobicContact CG2-CD1 4.1Å
232L99Very high98.4Very high0 Ų018 Ų180%09%0.09CC..EExtended strand (participates in β ladder)trans-76.3147.6161.1-55.9175.7000109.1T204 I261 S262 L301 L394 F407 C410T204-L232 HydrophobicContact CG2-CD2 4.31Å; L232-I261 CarbonylContact O-C 3.57Å; L232-I261 VanDerWaalsContact O-CA 3.24Å; L232-I261 WeakPolarHBondContact O-CA 3.21Å; L232-S262 PolarHBondContact N-OG 2.78Å; L232-S262 PolarHBondContact O-N 3.28Å; L232-L301 HydrophobicContact CD2-CD2 3.79Å; L232-L394 HydrophobicContact CD1-CB 4.36Å; L232-L394 WeakPolarHBondContact CD1-O 3.15Å; L232-F407 HydrophobicContact CD1-CB 3.87Å; L232-F407 HydrophobicContact CD2-CB 4.27Å; L232-F407 HydrophobicContact CD2-CD1 4.48Å; L232-F407 HydrophobicContact CD2-CG 4.28Å; L232-F407 HydrophobicContact CG-CB 3.75Å; L232-F407 HydrophobicContact CG-CD1 4.36Å; L232-F407 HydrophobicContact CG-CG 4.19Å; L232-C410 HydrophobicContact CB-CB 3.69Å; L232-C410 HydrophobicContact CD1-CB 4.28Å
233L98.9Very high98.3Very high0 Ų016.4 Ų16.40%09%0.085CC..EExtended strand (participates in β ladder)trans-136.6135.4178.3-177.2147.2000110Y125 E203 A205 D235 T259 T260 I261 L347 A349 L394Y125-L233 HydrophobicContact CE2-CD1 4.25Å; E203-L233 CarbonylContact C-O 3.52Å; E203-L233 WeakPolarHBondContact CA-O 3.5Å; E203-L233 HydrophobicContact CB-CB 4.01Å; E203-L233 HydrophobicContact CB-CD2 3.71Å; E203-L233 HydrophobicContact CB-CG 4.48Å; E203-L233 WeakPolarHBondContact CB-O 3.38Å; E203-L233 HydrophobicContact CG-CD2 4.11Å; E203-L233 PolarHBondContact N-O 3.45Å; E203-L233 PolarHBondContact O-N 2.9Å; E203-L233 VanDerWaalsContact O-O 3.1Å; A205-L233 HydrophobicContact CB-CB 4.23Å; A205-L233 HydrophobicContact CB-CD1 3.86Å; L233-D235 HydrophobicContact CD2-CB 3.79Å; L233-T259 HydrophobicContact CD1-CG2 3.72Å; L233-T259 HydrophobicContact CD2-CG2 3.76Å; L233-T259 HydrophobicContact CG-CG2 3.69Å; L233-T260 CarbonylContact C-O 3.55Å; L233-T260 VanDerWaalsContact CA-O 3.31Å; L233-T260 WeakPolarHBondContact CA-O 3.45Å; L233-I261 HydrophobicContact CB-CG2 4.12Å; L233-I261 HydrophobicContact CD1-CG2 3.77Å; L233-I261 HydrophobicContact CG-CG2 3.98Å; L233-L347 HydrophobicContact CD1-CD2 3.81Å; L233-A349 HydrophobicContact CD1-CB 3.9Å; L233-A349 HydrophobicContact CD2-CB 4.28Å; L233-L394 WeakPolarHBondContact O-CD2 3.43Å
234N98.9Very high98.2Very high1 Ų121.6 Ų21.61%0.00511%0.105CC..EExtended strand (participates in β ladder)trans-113.2108.7167.2-178.14.9000109F200 E201 W236 T259 T260 L394F200-N234 WeakPolarHBondContact CA-OD1 3.27Å; F200-N234 WeakPolarHBondContact CB-OD1 3.5Å; E201-N234 PolarHBondContact N-OD1 2.91Å; E201-N234 WeakPolarHBondContact O-CA 3.33Å; E201-N234 PolarHBondContact O-OD1 2.93Å; N234-W236 WeakPolarHBondContact ND2-CZ2 3.31Å; N234-W236 PolarHBondContact O-N 3.28Å; N234-T259 WeakPolarHBondContact O-CA 3.36Å; N234-T260 PolarHBondContact N-O 3.17Å; N234-T260 PolarHBondContact O-N 3.17Å; N234-L394 HydrophobicContact CB-CD1 4.08Å; N234-L394 HydrophobicContact CB-CD2 3.95Å
235D98.9Very high98.2Very high2 Ų220.7 Ų20.71%0.0119%0.093CC..EExtended strand (participates in β ladder)trans-88.586.3175.5-165.838.6000110.6Y161 E201 L233 S237 K255 T259Y161-D235 PolarHBondContact OH-OD2 2.76Å; E201-D235 HydrophobicContact CB-CB 4.09Å; E201-D235 WeakPolarHBondContact CB-O 3.46Å; E201-D235 WeakPolarHBondContact CG-O 3.34Å; E201-D235 PolarHBondContact O-N 3.22Å; L233-D235 HydrophobicContact CD2-CB 3.79Å; D235-S237 PolarHBondContact O-N 2.96Å; D235-S237 PolarHBondContact O-OG 2.9Å; D235-K255 VanDerWaalsContact OD2-CD 3.28Å; D235-K255 WeakPolarHBondContact OD2-CD 3.33Å; D235-K255 WeakPolarHBondContact OD2-CE 3.38Å; D235-K255 IonicContact OD2-NZ 2.98Å; D235-K255 PolarHBondContact OD2-NZ 3.2Å; D235-T259 PolarHBondContact OD1-OG1 2.88Å
236W98.9Very high98Very high0 Ų017.2 Ų17.20%08%0.08CC..  trans-58.2132.4-176.4-60.185000110I175 N234 F257 A258 T260 L386 I392 G412I175-W236 HydrophobicContact CG1-CD2 4.15Å; I175-W236 HydrophobicContact CG1-CG 4.47Å; I175-W236 HydrophobicContact CG1-CZ2 3.84Å; I175-W236 HydrophobicContact CG2-CD2 4.28Å; I175-W236 HydrophobicContact CG2-CG 4.32Å; N234-W236 WeakPolarHBondContact ND2-CZ2 3.31Å; N234-W236 PolarHBondContact O-N 3.28Å; W236-F257 VanDerWaalsContact C-CZ 3.45Å; W236-F257 HydrophobicContact CB-CE1 4.21Å; W236-F257 HydrophobicContact CB-CE2 3.67Å; W236-F257 HydrophobicContact CB-CZ 3.42Å; W236-F257 VanDerWaalsContact CB-CZ 3.42Å; W236-F257 WeakPolarHBondContact O-CE1 3.34Å; W236-F257 WeakPolarHBondContact O-CZ 3.33Å; W236-A258 HydrophobicContact CB-CB 4.32Å; W236-A258 VanDerWaalsContact CB-O 3.31Å; W236-A258 WeakPolarHBondContact CB-O 3.48Å; W236-A258 HydrophobicContact CG-CB 4.24Å; W236-A258 PolarHBondContact N-O 3.31Å; W236-T260 PolarHBondContact NE1-OG1 2.79Å; W236-L386 HydrophobicContact CE3-CD1 4.07Å; W236-L386 HydrophobicContact CZ3-CD1 3.55Å; W236-I392 HydrophobicContact CH2-CB 3.82Å; W236-I392 HydrophobicContact CH2-CG1 4.09Å; W236-I392 HydrophobicContact CZ2-CB 4.47Å; W236-I392 HydrophobicContact CZ3-CB 4.44Å; W236-I392 HydrophobicContact CZ3-CG1 4.25Å; W236-G412 WeakPolarHBondContact CH2-O 3.44Å
237S98.9Very high97.7Very high0 Ų021.3 Ų21.30%011%0.111CC..EExtended strand (participates in β ladder)trans-129.8131-169.5-65.30000111.5V198 D199 E201 D235 R239 G254 K255V198-S237 CarbonylContact C-O 3.59Å; V198-S237 WeakPolarHBondContact CA-O 3.31Å; D199-S237 PolarHBondContact N-O 3.17Å; D199-S237 PolarHBondContact O-N 2.78Å; E201-S237 PolarHBondContact OE1-OG 3.42Å; D235-S237 PolarHBondContact O-N 2.96Å; D235-S237 PolarHBondContact O-OG 2.9Å; S237-R239 VanDerWaalsContact CB-CZ 3.42Å; S237-R239 PolarHBondContact OG-NH1 2.89Å; S237-G254 CarbonylContact C-O 3.57Å; S237-G254 VanDerWaalsContact CA-O 3.27Å; S237-G254 WeakPolarHBondContact CA-O 3.48Å; S237-K255 VanDerWaalsContact OG-CD 3.28Å; S237-K255 WeakPolarHBondContact OG-CD 3.41Å; S237-K255 WeakPolarHBondContact OG-CE 3.35Å; S237-K255 PolarHBondContact OG-NZ 2.75Å
238A98.7Very high97.6Very high0 Ų026.5 Ų26.50%015%0.146CC..EExtended strand (participates in β ladder)trans-103.491.9170.900000108.8P178 S195 D240 I241 Q242 G254 F257P178-A238 HydrophobicContact CG-CB 3.66Å; S195-A238 WeakPolarHBondContact OG-CB 3.49Å; A238-D240 VanDerWaalsContact C-N 3.33Å; A238-D240 PolarHBondContact O-N 3.31Å; A238-I241 HydrophobicContact CB-CB 4.21Å; A238-I241 HydrophobicContact CB-CD1 3.84Å; A238-I241 HydrophobicContact CB-CG1 4.24Å; A238-I241 PolarHBondContact O-N 3.29Å; A238-Q242 WeakPolarHBondContact O-CB 3.22Å; A238-Q242 PolarHBondContact O-N 3.08Å; A238-G254 PolarHBondContact N-O 3.05Å; A238-F257 HydrophobicContact CB-CE1 4.04Å
239R97.9Very high97.5Very high11 Ų1134.1 Ų34.14%0.04219%0.186CC..Hα-helixtrans-64.2-35.5-165.6-57.5-58.9-173-168.2-1.1113.7M197 D199 E201 S237 Q242 M243 F385M197-R239 HydrophobicContact CB-CB 3.82Å; M197-R239 HydrophobicContact CB-CG 4.4Å; M197-R239 HydrophobicContact CE-CB 4.09Å; M197-R239 WeakPolarHBondContact O-CG 3.45Å; M197-R239 PolarHBondContact O-N 2.92Å; D199-R239 HydrophobicContact CB-CG 4.07Å; D199-R239 IonicContact OD2-CZ 2.74Å; D199-R239 IonicContact OD2-NE 3.57Å; D199-R239 PolarHBondContact OD2-NE 3.09Å; D199-R239 IonicContact OD2-NH2 3.85Å; D199-R239 PolarHBondContact OD2-NH2 3.03Å; E201-R239 VanDerWaalsContact CG-NH2 3.27Å; E201-R239 IonicContact OE1-CZ 3.14Å; E201-R239 IonicContact OE1-NH1 2.74Å; E201-R239 PolarHBondContact OE1-NH1 2.8Å; E201-R239 IonicContact OE1-NH2 2.76Å; E201-R239 PolarHBondContact OE1-NH2 2.64Å; S237-R239 VanDerWaalsContact CB-CZ 3.42Å; S237-R239 PolarHBondContact OG-NH1 2.89Å; R239-Q242 PolarHBondContact O-N 2.9Å; R239-M243 VanDerWaalsContact O-CB 3.31Å; R239-M243 WeakPolarHBondContact O-CB 3.03Å; R239-M243 WeakPolarHBondContact O-CE 3.41Å; R239-M243 WeakPolarHBondContact O-CG 3.49Å; R239-M243 PolarHBondContact O-N 3.42Å; R239-F385 HydrophobicContact CG-CE1 4Å
240D97.4Very high97.3Very high12 Ų1235.3 Ų35.36%0.06420%0.198CC..Hα-helixtrans-66-43177.243.514.5000112.9Q182 S195 K196 M197 A238 M243 W244Q182-D240 HydrophobicContact CB-CB 4.46Å; Q182-D240 HydrophobicContact CG-CB 4.04Å; Q182-D240 PolarHBondContact OE1-OD2 2.87Å; Q182-D240 VanDerWaalsContact OE1-OD2 3.12Å; S195-D240 WeakPolarHBondContact CA-OD2 3.24Å; S195-D240 WeakPolarHBondContact CB-OD1 3.31Å; S195-D240 VanDerWaalsContact OG-CG 3.26Å; S195-D240 PolarHBondContact OG-OD1 3.37Å; S195-D240 PolarHBondContact OG-OD2 2.91Å; K196-D240 WeakPolarHBondContact CA-OD2 3.49Å; K196-D240 PolarHBondContact N-OD2 2.93Å; M197-D240 HydrophobicContact CB-CB 4.35Å; M197-D240 HydrophobicContact CG-CB 4.39Å; M197-D240 PolarHBondContact N-OD2 3.17Å; M197-D240 HydrophobicContact SD-CB 4.18Å; A238-D240 VanDerWaalsContact C-N 3.33Å; A238-D240 PolarHBondContact O-N 3.31Å; D240-M243 HydrophobicContact CB-CE 4.46Å; D240-W244 PolarHBondContact O-N 2.67Å
241I98.4Very high97.3Very high4 Ų436.9 Ų36.92%0.02121%0.208CC..Hα-helixtrans-64.5-49.5172.3-61.6172.3000109.4P178 Q182 A238 M243 W244 E245 L253P178-I241 HydrophobicContact CB-CD1 4.26Å; P178-I241 HydrophobicContact CG-CD1 4.16Å; Q182-I241 HydrophobicContact CG-CG1 3.99Å; A238-I241 HydrophobicContact CB-CB 4.21Å; A238-I241 HydrophobicContact CB-CD1 3.84Å; A238-I241 HydrophobicContact CB-CG1 4.24Å; A238-I241 PolarHBondContact O-N 3.29Å; I241-M243 PolarHBondContact O-N 3.02Å; I241-W244 PolarHBondContact O-N 3.16Å; I241-W244 VanDerWaalsContact O-N 3.13Å; I241-E245 WeakPolarHBondContact O-CG 3.21Å; I241-E245 PolarHBondContact O-N 3.23Å; I241-E245 VanDerWaalsContact O-N 3.1Å; I241-L253 HydrophobicContact CG2-CB 4.06Å
242Q97.8Very high97.2Very high33 Ų3343.2 Ų43.215%0.15424%0.236CC..Hα-helixtrans-57.7-45.8-179.1-171.8-178.4300112.3A238 R239 W244 E245 S246 P251A238-Q242 WeakPolarHBondContact O-CB 3.22Å; A238-Q242 PolarHBondContact O-N 3.08Å; R239-Q242 PolarHBondContact O-N 2.9Å; Q242-W244 PolarHBondContact O-N 2.89Å; Q242-E245 PolarHBondContact O-N 2.94Å; Q242-S246 VanDerWaalsContact CG-OG 3.26Å; Q242-S246 WeakPolarHBondContact CG-OG 3.36Å; Q242-S246 VanDerWaalsContact O-CB 3.27Å; Q242-S246 WeakPolarHBondContact O-CB 3.26Å; Q242-S246 PolarHBondContact O-N 2.94Å; Q242-S246 PolarHBondContact O-OG 3.39Å; Q242-P251 HydrophobicContact CG-CB 4.31Å
243M94.5Very high97.2Very high82 Ų8247.5 Ų47.540%0.40426%0.258SS..Hα-helixtrans-60.3-33.6179.1-80.6-175.6-61.700112.5F142 M197 R239 D240 I241F142-M243 HydrophobicContact CE1-CG 4.04Å; F142-M243 HydrophobicContact CE1-SD 3.84Å; F142-M243 HydrophobicContact CZ-CG 4.49Å; M197-M243 HydrophobicContact CE-CE 4.06Å; M197-M243 HydrophobicContact SD-CE 3.76Å; R239-M243 VanDerWaalsContact O-CB 3.31Å; R239-M243 WeakPolarHBondContact O-CB 3.03Å; R239-M243 WeakPolarHBondContact O-CE 3.41Å; R239-M243 WeakPolarHBondContact O-CG 3.49Å; R239-M243 PolarHBondContact O-N 3.42Å; D240-M243 HydrophobicContact CB-CE 4.46Å; I241-M243 PolarHBondContact O-N 3.02Å
244W95.9Very high97.2Very high109 Ų10947.5 Ų47.541%0.41326%0.258SS..Hα-helixtrans-77.4-40.9178.9172.4-122.1000112.4K183 P190 D240 I241 Q242K183-W244 HydrophobicContact CB-CB 4.35Å; K183-W244 HydrophobicContact CB-CD2 3.69Å; K183-W244 HydrophobicContact CB-CE3 3.31Å; K183-W244 HydrophobicContact CB-CG 4.14Å; K183-W244 HydrophobicContact CB-CZ3 3.86Å; K183-W244 HydrophobicContact CD-CE3 4.45Å; K183-W244 HydrophobicContact CD-CH2 4.42Å; K183-W244 HydrophobicContact CD-CZ3 4.15Å; K183-W244 HydrophobicContact CG-CE3 3.8Å; K183-W244 HydrophobicContact CG-CZ3 3.8Å; P190-W244 HydrophobicContact CB-CZ2 3.91Å; P190-W244 HydrophobicContact CG-CZ2 3.86Å; D240-W244 PolarHBondContact O-N 2.67Å; I241-W244 PolarHBondContact O-N 3.16Å; I241-W244 VanDerWaalsContact O-N 3.13Å; Q242-W244 PolarHBondContact O-N 2.89Å
245E97.3Very high97.2Very high46 Ų4648 Ų4822%0.21526%0.261CS..Hα-helixtrans-91.6-25.5-169.973.5179.5-178.700115.2I241 Q242 S247 F252 L253 G254I241-E245 WeakPolarHBondContact O-CG 3.21Å; I241-E245 PolarHBondContact O-N 3.23Å; I241-E245 VanDerWaalsContact O-N 3.1Å; Q242-E245 PolarHBondContact O-N 2.94Å; E245-S247 VanDerWaalsContact C-N 3.26Å; E245-S247 PolarHBondContact O-N 2.86Å; E245-S247 VanDerWaalsContact O-N 3.15Å; E245-F252 VanDerWaalsContact OE1-C 3.22Å; E245-F252 WeakPolarHBondContact OE1-CA 3.16Å; E245-F252 PolarHBondContact OE1-N 3Å; E245-L253 PolarHBondContact OE1-N 2.64Å; E245-L253 WeakPolarHBondContact OE2-CB 3.27Å; E245-L253 WeakPolarHBondContact OE2-CG 3.48Å; E245-L253 PolarHBondContact OE2-N 3.35Å; E245-G254 PolarHBondContact OE1-N 3.18Å
246S93.7Very high97.2Very high29 Ų2949.3 Ų49.320%0.20327%0.269CS..  trans-71.3-17.6-159.9-63.30000114.5Q242 P248 L249 G250Q242-S246 VanDerWaalsContact CG-OG 3.26Å; Q242-S246 WeakPolarHBondContact CG-OG 3.36Å; Q242-S246 VanDerWaalsContact O-CB 3.27Å; Q242-S246 WeakPolarHBondContact O-CB 3.26Å; Q242-S246 PolarHBondContact O-N 2.94Å; Q242-S246 PolarHBondContact O-OG 3.39Å; S246-P248 CarbonylContact O-C 3.59Å; S246-L249 PolarHBondContact O-N 3.43Å; S246-L249 VanDerWaalsContact O-N 3.16Å; S246-G250 WeakPolarHBondContact CA-O 3.28Å; S246-G250 WeakPolarHBondContact O-CA 3.46Å; S246-G250 PolarHBondContact O-N 2.81Å
247S92.9Very high97.2Very high109 Ų10951.6 Ų51.676%0.76228%0.28SS*.THydrogen-bonded Turntrans-94125.3179.4-172.30000110.5E245E245-S247 VanDerWaalsContact C-N 3.26Å; E245-S247 PolarHBondContact O-N 2.86Å; E245-S247 VanDerWaalsContact O-N 3.15Å
248P95Very high97.2Very high116 Ų11651.8 Ų51.875%0.75328%0.281SS*.THydrogen-bonded Turncis-99.422.837.6-35.4000115.1S246S246-P248 CarbonylContact O-C 3.59Å
249L97.1Very high97.2Very high163 Ų16351.9 Ų51.985%0.85328%0.281SS*.THydrogen-bonded Turntrans-94.2-2.1-162.1-58.6-178.5000115.4S246S246-L249 PolarHBondContact O-N 3.43Å; S246-L249 VanDerWaalsContact O-N 3.16Å
250G95.6Very high97.2Very high25 Ų2551.3 Ų51.326%0.25828%0.279SS..  trans89.1177.5-175.500000113.8S246S246-G250 WeakPolarHBondContact CA-O 3.28Å; S246-G250 WeakPolarHBondContact O-CA 3.46Å; S246-G250 PolarHBondContact O-N 2.81Å
251P97.7Very high97.3Very high33 Ų3350.8 Ų50.821%0.21428%0.276CS..  trans-62.1142.2-177.1-19.732.3000112.8Y161 Q242 K255Y161-P251 HydrophobicContact CE1-CG 4.33Å; Y161-P251 HydrophobicContact CE2-CB 4.11Å; Y161-P251 HydrophobicContact CE2-CG 4.28Å; Q242-P251 HydrophobicContact CG-CB 4.31Å; P251-K255 HydrophobicContact CB-CG 3.57Å
252F98.7Very high97.3Very high133 Ų13350.6 Ų50.658%0.58328%0.275SS*.SBendtrans-140.6-89.7179.5-172.1-126.1000113.5E245 G254 K255 S256E245-F252 VanDerWaalsContact OE1-C 3.22Å; E245-F252 WeakPolarHBondContact OE1-CA 3.16Å; E245-F252 PolarHBondContact OE1-N 3Å; F252-G254 VanDerWaalsContact C-N 3.26Å; F252-G254 PolarHBondContact O-N 3.36Å; F252-K255 PolarHBondContact O-N 3.05Å; F252-S256 VanDerWaalsContact O-CB 3.31Å; F252-S256 WeakPolarHBondContact O-CB 3.33Å; F252-S256 PolarHBondContact O-N 3.49Å; F252-S256 PolarHBondContact O-OG 3.33Å
253L98.7Very high97.4Very high90 Ų9049.5 Ų49.547%0.47127%0.271SS..THydrogen-bonded Turntrans-70.5-24.8-179.9-54.9-178.4000112.6I241 E245 K255I241-L253 HydrophobicContact CG2-CB 4.06Å; E245-L253 PolarHBondContact OE1-N 2.64Å; E245-L253 WeakPolarHBondContact OE2-CB 3.27Å; E245-L253 WeakPolarHBondContact OE2-CG 3.48Å; E245-L253 PolarHBondContact OE2-N 3.35Å; L253-K255 PolarHBondContact O-N 3.22Å
254G98.6Very high97.6Very high0 Ų046.1 Ų46.10%025%0.254CS..THydrogen-bonded Turntrans-63-13.2171.300000113.7S237 A238 E245 F252S237-G254 CarbonylContact C-O 3.57Å; S237-G254 VanDerWaalsContact CA-O 3.27Å; S237-G254 WeakPolarHBondContact CA-O 3.48Å; A238-G254 PolarHBondContact N-O 3.05Å; E245-G254 PolarHBondContact OE1-N 3.18Å; F252-G254 VanDerWaalsContact C-N 3.26Å; F252-G254 PolarHBondContact O-N 3.36Å
255K98.8Very high97.7Very high12 Ų1241 Ų415%0.05223%0.234CC..THydrogen-bonded Turntrans-122.6-45.4-179.8-60-60.5-150.1143.30112.9Y161 E201 D235 S237 P251 F252 L253 F257 A258Y161-K255 HydrophobicContact CE2-CG 4.49Å; Y161-K255 WeakPolarHBondContact OH-CE 3.45Å; E201-K255 IonicContact OE1-NZ 2.86Å; E201-K255 PolarHBondContact OE1-NZ 2.7Å; E201-K255 IonicContact OE2-NZ 2.68Å; E201-K255 PolarHBondContact OE2-NZ 3.3Å; D235-K255 VanDerWaalsContact OD2-CD 3.28Å; D235-K255 WeakPolarHBondContact OD2-CD 3.33Å; D235-K255 WeakPolarHBondContact OD2-CE 3.38Å; D235-K255 IonicContact OD2-NZ 2.98Å; D235-K255 PolarHBondContact OD2-NZ 3.2Å; S237-K255 VanDerWaalsContact OG-CD 3.28Å; S237-K255 WeakPolarHBondContact OG-CD 3.41Å; S237-K255 WeakPolarHBondContact OG-CE 3.35Å; S237-K255 PolarHBondContact OG-NZ 2.75Å; P251-K255 HydrophobicContact CB-CG 3.57Å; F252-K255 PolarHBondContact O-N 3.05Å; L253-K255 PolarHBondContact O-N 3.22Å; K255-F257 PolarHBondContact O-N 3.09Å; K255-A258 PolarHBondContact O-N 2.88Å
256S98.8Very high97.8Very high28 Ų2838.8 Ų38.820%0.19622%0.224CC..THydrogen-bonded Turntrans-68.12.8-169590000116.6S167 F252S167-S256 WeakPolarHBondContact CB-O 3.41Å; S167-S256 PolarHBondContact OG-O 3.26Å; S167-S256 VanDerWaalsContact OG-O 3.1Å; F252-S256 VanDerWaalsContact O-CB 3.31Å; F252-S256 WeakPolarHBondContact O-CB 3.33Å; F252-S256 PolarHBondContact O-N 3.49Å; F252-S256 PolarHBondContact O-OG 3.33Å
257F98.7Very high98.1Very high49 Ų4937.8 Ų37.822%0.21522%0.217CC..THydrogen-bonded Turntrans-76.4-29.8175.671.2-82.4000112.6I175 P178 V198 W236 A238 K255I175-F257 HydrophobicContact CG2-CD2 4Å; I175-F257 HydrophobicContact CG2-CE2 3.8Å; P178-F257 HydrophobicContact CB-CB 4.05Å; P178-F257 HydrophobicContact CB-CD1 4.4Å; P178-F257 HydrophobicContact CB-CD2 4.31Å; P178-F257 HydrophobicContact CB-CG 4.01Å; P178-F257 HydrophobicContact CG-CB 4.46Å; P178-F257 HydrophobicContact CG-CD1 3.97Å; P178-F257 HydrophobicContact CG-CD2 3.97Å; P178-F257 HydrophobicContact CG-CE1 4.15Å; P178-F257 HydrophobicContact CG-CE2 4.14Å; P178-F257 HydrophobicContact CG-CG 3.87Å; P178-F257 HydrophobicContact CG-CZ 4.22Å; V198-F257 HydrophobicContact CG1-CZ 4.5Å; W236-F257 VanDerWaalsContact C-CZ 3.45Å; W236-F257 HydrophobicContact CB-CE1 4.21Å; W236-F257 HydrophobicContact CB-CE2 3.67Å; W236-F257 HydrophobicContact CB-CZ 3.42Å; W236-F257 VanDerWaalsContact CB-CZ 3.42Å; W236-F257 WeakPolarHBondContact O-CE1 3.34Å; W236-F257 WeakPolarHBondContact O-CZ 3.33Å; A238-F257 HydrophobicContact CB-CE1 4.04Å; K255-F257 PolarHBondContact O-N 3.09Å
258A98.8Very high98.3Very high3 Ų334 Ų343%0.02519%0.188CC..  trans-169.6140.7172.600000112.6I175 W236 K255I175-A258 HydrophobicContact CB-CB 4.41Å; I175-A258 HydrophobicContact CD1-CB 3.68Å; I175-A258 HydrophobicContact CG1-CB 4.15Å; I175-A258 HydrophobicContact CG2-CB 3.48Å; I175-A258 VanDerWaalsContact CG2-CB 3.48Å; W236-A258 HydrophobicContact CB-CB 4.32Å; W236-A258 VanDerWaalsContact CB-O 3.31Å; W236-A258 WeakPolarHBondContact CB-O 3.48Å; W236-A258 HydrophobicContact CG-CB 4.24Å; W236-A258 PolarHBondContact N-O 3.31Å; K255-A258 PolarHBondContact O-N 2.88Å
259T98.9Very high98.5Very high2 Ų230.2 Ų30.21%0.01216%0.161CC..EExtended strand (participates in β ladder)trans-131.2129.2163.2-54.40000107.1Y125 S167 I168 V169 L233 N234 D235Y125-T259 HydrophobicContact CE1-CG2 4.05Å; S167-T259 PolarHBondContact O-N 2.88Å; I168-T259 CarbonylContact C-O 3.55Å; I168-T259 VanDerWaalsContact CA-O 3.26Å; I168-T259 WeakPolarHBondContact CA-O 3.31Å; V169-T259 WeakPolarHBondContact CG2-O 3.3Å; V169-T259 PolarHBondContact N-O 2.83Å; L233-T259 HydrophobicContact CD1-CG2 3.72Å; L233-T259 HydrophobicContact CD2-CG2 3.76Å; L233-T259 HydrophobicContact CG-CG2 3.69Å; N234-T259 WeakPolarHBondContact O-CA 3.36Å; D235-T259 PolarHBondContact OD1-OG1 2.88Å
260T99Very high98.5Very high0 Ų022.5 Ų22.50%012%0.121CC..EExtended strand (participates in β ladder)trans-107.7139.8-178.7-56.90000110.7V169 L233 N234 W236 C410V169-T260 WeakPolarHBondContact O-CA 3.49Å; L233-T260 CarbonylContact C-O 3.55Å; L233-T260 VanDerWaalsContact CA-O 3.31Å; L233-T260 WeakPolarHBondContact CA-O 3.45Å; N234-T260 PolarHBondContact N-O 3.17Å; N234-T260 PolarHBondContact O-N 3.17Å; W236-T260 PolarHBondContact NE1-OG1 2.79Å; T260-C410 PolarHBondContact O-SG 3.26Å; T260-C410 VanDerWaalsContact O-SG 3.41Å
261I99Very high98.7Very high0 Ų021.3 Ų21.30%011%0.109CC..EExtended strand (participates in β ladder)trans-123.5149.9172.263.2171.7000113.1L118 P119 I122 I168 V169 S171 V231 L232 L233 L347L118-I261 HydrophobicContact CD2-CD1 3.78Å; L118-I261 HydrophobicContact CD2-CG1 3.85Å; P119-I261 HydrophobicContact CG-CD1 4.11Å; I122-I261 HydrophobicContact CD1-CD1 4.35Å; I168-I261 HydrophobicContact CG2-CD1 4.19Å; I168-I261 HydrophobicContact CG2-CG1 4.17Å; I168-I261 HydrophobicContact CG2-CG2 4.12Å; V169-I261 PolarHBondContact O-N 2.89Å; S171-I261 PolarHBondContact N-O 3.04Å; V231-I261 HydrophobicContact CG2-CB 4.16Å; V231-I261 HydrophobicContact CG2-CG2 4.23Å; L232-I261 CarbonylContact O-C 3.57Å; L232-I261 VanDerWaalsContact O-CA 3.24Å; L232-I261 WeakPolarHBondContact O-CA 3.21Å; L233-I261 HydrophobicContact CB-CG2 4.12Å; L233-I261 HydrophobicContact CD1-CG2 3.77Å; L233-I261 HydrophobicContact CG-CG2 3.98Å; I261-L347 HydrophobicContact CG2-CD2 3.97Å
262S98.9Very high98.6Very high0 Ų024.3 Ų24.30%012%0.118CC..  trans-63.7142.1167.360.30000110.2V231 L232 W264V231-S262 WeakPolarHBondContact CA-OG 3.37Å; V231-S262 WeakPolarHBondContact CB-OG 3.28Å; L232-S262 PolarHBondContact N-OG 2.78Å; L232-S262 PolarHBondContact O-N 3.28Å; S262-W264 VanDerWaalsContact C-N 3.34Å; S262-W264 PolarHBondContact O-N 3.13Å
263P98.6Very high98.5Very high10 Ų1022 Ų227%0.06512%0.116CC..SBendtrans-78.9-17.1-172.431.6-36.1000114.2M116M116-P263 HydrophobicContact CB-CB 3.59Å; M116-P263 HydrophobicContact CB-CG 3.97Å; M116-P263 HydrophobicContact CE-CB 3.92Å; M116-P263 HydrophobicContact CE-CG 4.41Å; M116-P263 HydrophobicContact CG-CB 4Å; M116-P263 HydrophobicContact CG-CG 3.95Å
264W98.9Very high98.4Very high12 Ų1218.1 Ų18.15%0.04510%0.096CC..  trans-98.5117.4-176.6-67.4121.6000110.8F12 P18 A36 I41 M116 S262 V266F12-W264 AromaticContact CE1-CD1 3.82Å; F12-W264 HydrophobicContact CE1-CG 4.21Å; F12-W264 AromaticContact CZ-CD1 3.66Å; F12-W264 HydrophobicContact CZ-CG 4.46Å; F12-W264 AromaticContact CZ-NE1 3.89Å; P18-W264 HydrophobicContact CB-CB 3.98Å; P18-W264 HydrophobicContact CG-CB 4Å; P18-W264 HydrophobicContact CG-CD2 4.41Å; P18-W264 HydrophobicContact CG-CE3 4.35Å; P18-W264 HydrophobicContact CG-CG 4.28Å; A36-W264 HydrophobicContact CB-CD2 4Å; A36-W264 HydrophobicContact CB-CE3 4.08Å; A36-W264 HydrophobicContact CB-CH2 4Å; A36-W264 HydrophobicContact CB-CZ2 3.88Å; A36-W264 HydrophobicContact CB-CZ3 4.09Å; I41-W264 HydrophobicContact CB-CH2 4.44Å; I41-W264 HydrophobicContact CD1-CH2 3.75Å; I41-W264 HydrophobicContact CD1-CZ2 3.76Å; I41-W264 HydrophobicContact CG1-CH2 3.78Å; I41-W264 HydrophobicContact CG1-CZ2 3.87Å; I41-W264 HydrophobicContact CG2-CH2 3.95Å; M116-W264 HydrophobicContact CE-CD2 3.95Å; M116-W264 HydrophobicContact CE-CE3 4.01Å; M116-W264 HydrophobicContact CE-CH2 3.43Å; M116-W264 VanDerWaalsContact CE-CH2 3.43Å; M116-W264 HydrophobicContact CE-CZ2 3.36Å; M116-W264 HydrophobicContact CE-CZ3 3.77Å; M116-W264 HydrophobicContact SD-CH2 4.01Å; M116-W264 HydrophobicContact SD-CZ2 3.62Å; S262-W264 VanDerWaalsContact C-N 3.34Å; S262-W264 PolarHBondContact O-N 3.13Å; W264-V266 PolarHBondContact O-N 3.19Å
265V99Very high98.3Very high0 Ų023 Ų230%011%0.114CC..BIsolated β-bridgetrans-86.8104.1176.2-170.40000109.2P18 Y19 L68 P119 L207 F228 M230 V231 T267P18-V265 VanDerWaalsContact CA-O 3.26Å; P18-V265 WeakPolarHBondContact CA-O 3.34Å; P18-V265 WeakPolarHBondContact CB-O 3.28Å; Y19-V265 PolarHBondContact N-O 2.92Å; Y19-V265 PolarHBondContact O-N 2.9Å; L68-V265 HydrophobicContact CD1-CG2 4.06Å; P119-V265 HydrophobicContact CB-CG2 3.45Å; P119-V265 VanDerWaalsContact CB-CG2 3.45Å; P119-V265 HydrophobicContact CG-CG2 3.73Å; L207-V265 HydrophobicContact CD1-CB 4.42Å; L207-V265 HydrophobicContact CD1-CG1 3.95Å; L207-V265 HydrophobicContact CD1-CG2 3.56Å; F228-V265 HydrophobicContact CD1-CG1 3.6Å; F228-V265 HydrophobicContact CE1-CB 4.12Å; F228-V265 HydrophobicContact CE1-CG1 3.57Å; M230-V265 WeakPolarHBondContact O-CA 3.39Å; V231-V265 HydrophobicContact CG1-CB 4.37Å; V231-V265 HydrophobicContact CG1-CG2 3.9Å; V265-T267 PolarHBondContact O-N 3.36Å
266V98.9Very high98.2Very high0 Ų023.3 Ų23.30%012%0.119CC..EExtended strand (participates in β ladder)trans-77.2119.5176.2-179.90000108.6P18 G229 M230 W264 A270 L271 I405 G406 F407P18-V266 HydrophobicContact CB-CG2 4.08Å; G229-V266 CarbonylContact C-O 3.31Å; G229-V266 WeakPolarHBondContact CA-O 3.41Å; M230-V266 PolarHBondContact N-O 2.79Å; M230-V266 PolarHBondContact O-N 2.85Å; W264-V266 PolarHBondContact O-N 3.19Å; V266-A270 HydrophobicContact CG1-CB 4.07Å; V266-L271 HydrophobicContact CG1-CD1 4.38Å; V266-L271 HydrophobicContact CG1-CD2 3.71Å; V266-L271 HydrophobicContact CG1-CG 3.85Å; V266-I405 HydrophobicContact CG1-CG2 3.68Å; V266-G406 WeakPolarHBondContact CG2-O 3.42Å; V266-F407 HydrophobicContact CB-CD1 4.1Å; V266-F407 HydrophobicContact CB-CE1 3.7Å; V266-F407 HydrophobicContact CB-CE2 4.49Å; V266-F407 HydrophobicContact CB-CZ 3.92Å; V266-F407 HydrophobicContact CG1-CZ 4.27Å; V266-F407 HydrophobicContact CG2-CB 4.49Å; V266-F407 HydrophobicContact CG2-CD1 3.58Å; V266-F407 HydrophobicContact CG2-CD2 4.15Å; V266-F407 HydrophobicContact CG2-CE1 3.71Å; V266-F407 HydrophobicContact CG2-CE2 4.26Å; V266-F407 HydrophobicContact CG2-CG 3.82Å; V266-F407 HydrophobicContact CG2-CZ 4.06Å
267T98.9Very high98.1Very high8 Ų828.8 Ų28.85%0.04914%0.142CC..EExtended strand (participates in β ladder)trans-70150.8-174.860.70000112.4Y19 F228 V265 D269 A270 L271Y19-T267 HydrophobicContact CD2-CG2 3.63Å; Y19-T267 HydrophobicContact CE2-CG2 3.54Å; F228-T267 HydrophobicContact CE1-CG2 4.37Å; F228-T267 HydrophobicContact CE2-CG2 4.18Å; F228-T267 HydrophobicContact CZ-CG2 3.91Å; V265-T267 PolarHBondContact O-N 3.36Å; T267-D269 PolarHBondContact O-N 3.44Å; T267-D269 VanDerWaalsContact O-N 3.17Å; T267-A270 WeakPolarHBondContact O-CB 3.19Å; T267-A270 PolarHBondContact O-N 2.87Å; T267-A270 PolarHBondContact OG1-N 2.79Å; T267-L271 PolarHBondContact O-N 3.44Å
268M98.6Very high97.8Very high30 Ų3028.8 Ų28.815%0.14814%0.144CC..Hα-helixtrans-58.2-31.1174.7-63.2-44.7-6000112.4I227 F228 M230 A270 L271 K272 F297 M328I227-M268 HydrophobicContact CB-CG 4.39Å; I227-M268 HydrophobicContact CG2-CG 3.73Å; I227-M268 HydrophobicContact CG2-SD 3.8Å; I227-M268 WeakPolarHBondContact O-CG 3.48Å; F228-M268 PolarHBondContact O-N 3.03Å; M230-M268 HydrophobicContact CG-SD 3.92Å; M230-M268 HydrophobicContact SD-SD 4.3Å; M268-A270 VanDerWaalsContact C-N 3.34Å; M268-A270 PolarHBondContact O-N 2.69Å; M268-L271 HydrophobicContact CE-CD1 4.28Å; M268-L271 PolarHBondContact O-N 2.66Å; M268-L271 HydrophobicContact SD-CD1 4.16Å; M268-K272 WeakPolarHBondContact O-CG 3.22Å; M268-K272 PolarHBondContact O-N 2.89Å; M268-K272 VanDerWaalsContact O-N 3.13Å; M268-F297 HydrophobicContact CE-CD2 4.36Å; M268-F297 HydrophobicContact CE-CE1 4Å; M268-F297 HydrophobicContact CE-CE2 3.44Å; M268-F297 VanDerWaalsContact CE-CE2 3.44Å; M268-F297 HydrophobicContact CE-CZ 3.21Å; M268-M328 HydrophobicContact CE-CE 3.53Å; M268-M328 HydrophobicContact SD-CE 4.17Å
269D98.3Very high97.5Very high36 Ų3630.7 Ų30.719%0.19315%0.152CC..Hα-helixtrans-63.7-35.1174.2-85.2-26.7000113.3K80 T267 L271 K272K80-D269 WeakPolarHBondContact CG-OD2 3.17Å; T267-D269 PolarHBondContact O-N 3.44Å; T267-D269 VanDerWaalsContact O-N 3.17Å; D269-L271 VanDerWaalsContact C-N 3.34Å; D269-K272 WeakPolarHBondContact OD1-CE 3.46Å; D269-K272 IonicContact OD1-NZ 3.09Å; D269-K272 PolarHBondContact OD1-NZ 3.12Å
270A98.5Very high97Very high2 Ų236.9 Ų36.92%0.01719%0.185CC..Hα-helixtrans-72.2-29.2175.400000112.4V266 T267 M268 P273 I405V266-A270 HydrophobicContact CG1-CB 4.07Å; T267-A270 WeakPolarHBondContact O-CB 3.19Å; T267-A270 PolarHBondContact O-N 2.87Å; T267-A270 PolarHBondContact OG1-N 2.79Å; M268-A270 VanDerWaalsContact C-N 3.34Å; M268-A270 PolarHBondContact O-N 2.69Å; A270-P273 WeakPolarHBondContact O-CD 3.28Å; A270-I405 HydrophobicContact CB-CG2 4.43Å
271L98.2Very high96.5Very high0 Ų038.4 Ų38.40%019%0.192CC..Hα-helixtrans-83.8-16.9-179.7-62.1176.2000113.8M230 V266 T267 M268 D269 P273 F274 F297 I405 F407M230-L271 HydrophobicContact CB-CD1 4.31Å; M230-L271 HydrophobicContact CG-CD1 4.1Å; M230-L271 HydrophobicContact SD-CD1 3.54Å; M230-L271 VanDerWaalsContact SD-CD1 3.54Å; V266-L271 HydrophobicContact CG1-CD1 4.38Å; V266-L271 HydrophobicContact CG1-CD2 3.71Å; V266-L271 HydrophobicContact CG1-CG 3.85Å; T267-L271 PolarHBondContact O-N 3.44Å; M268-L271 HydrophobicContact CE-CD1 4.28Å; M268-L271 PolarHBondContact O-N 2.66Å; M268-L271 HydrophobicContact SD-CD1 4.16Å; D269-L271 VanDerWaalsContact C-N 3.34Å; L271-P273 VanDerWaalsContact C-N 3.34Å; L271-P273 VanDerWaalsContact O-N 3.16Å; L271-F274 PolarHBondContact O-N 2.9Å; L271-F297 HydrophobicContact CB-CD1 3.82Å; L271-F297 HydrophobicContact CB-CE1 3.82Å; L271-I405 HydrophobicContact CD2-CG2 4.27Å; L271-F407 HydrophobicContact CD1-CZ 4.25Å; L271-F407 HydrophobicContact CD2-CE2 4.18Å; L271-F407 HydrophobicContact CD2-CZ 4.01Å
272K96.3Very high95.3Very high96 Ų9643 Ų4342%0.41722%0.224SC..G310 helixtrans-45.9-44-179.5-82.7175.7177.6173.90115.4M268 D269 F274 R275M268-K272 WeakPolarHBondContact O-CG 3.22Å; M268-K272 PolarHBondContact O-N 2.89Å; M268-K272 VanDerWaalsContact O-N 3.13Å; D269-K272 WeakPolarHBondContact OD1-CE 3.46Å; D269-K272 IonicContact OD1-NZ 3.09Å; D269-K272 PolarHBondContact OD1-NZ 3.12Å; K272-F274 PolarHBondContact O-N 2.83Å; K272-F274 VanDerWaalsContact O-N 3.08Å; K272-R275 PolarHBondContact O-N 2.87Å
273P96.2Very high94.1Very high83 Ų8345.1 Ų45.154%0.53923%0.233SC..G310 helixtrans-65.6-9.7-179.8-21.635.1000114.6A270 L271A270-P273 WeakPolarHBondContact O-CD 3.28Å; L271-P273 VanDerWaalsContact C-N 3.34Å; L271-P273 VanDerWaalsContact O-N 3.16Å
274F97.5Very high93.2Very high10 Ų1049.7 Ų49.74%0.04427%0.265CS..G310 helixtrans-117.219.9-176.1-51.4-82.2000111.9L271 K272 A276 F297 D298 C398 N400 L403 I405L271-F274 PolarHBondContact O-N 2.9Å; K272-F274 PolarHBondContact O-N 2.83Å; K272-F274 VanDerWaalsContact O-N 3.08Å; F274-A276 PolarHBondContact O-N 3.04Å; F274-F297 CarbonylContact O-C 3.52Å; F274-F297 WeakPolarHBondContact O-CA 3.5Å; F274-D298 PolarHBondContact O-N 3.32Å; F274-C398 HydrophobicContact CB-CB 3.95Å; F274-C398 HydrophobicContact CD1-CB 3.5Å; F274-C398 VanDerWaalsContact CD1-CB 3.5Å; F274-C398 HydrophobicContact CD2-CB 3.45Å; F274-C398 VanDerWaalsContact CD2-CB 3.45Å; F274-C398 HydrophobicContact CE1-CB 3.71Å; F274-C398 HydrophobicContact CE2-CB 3.71Å; F274-C398 HydrophobicContact CG-CB 3.34Å; F274-C398 HydrophobicContact CZ-CB 3.8Å; F274-N400 HydrophobicContact CE1-CB 4.04Å; F274-L403 HydrophobicContact CE2-CD2 3.99Å; F274-L403 HydrophobicContact CE2-CG 4.46Å; F274-L403 HydrophobicContact CZ-CB 4.28Å; F274-L403 HydrophobicContact CZ-CD2 3.81Å; F274-L403 HydrophobicContact CZ-CG 3.92Å; F274-I405 HydrophobicContact CD2-CG1 4.41Å; F274-I405 HydrophobicContact CE2-CB 4.14Å; F274-I405 HydrophobicContact CE2-CG1 3.46Å; F274-I405 VanDerWaalsContact CE2-CG1 3.46Å; F274-I405 HydrophobicContact CZ-CG1 4.01Å
275R96.6Very high92.8Very high102 Ų10250.2 Ų50.239%0.38527%0.269SS..EExtended strand (participates in β ladder)trans-54.6137.4169-82.6-170.7-179.1-105.7-1.5109.8K272 P294 N295 S296 F297K272-R275 PolarHBondContact O-N 2.87Å; R275-P294 PolarHBondContact NH1-O 3.21Å; R275-N295 PolarHBondContact NH1-OD1 3.15Å; R275-S296 WeakPolarHBondContact CA-O 3.37Å; R275-F297 HydrophobicContact CG-CD1 4.16Å; R275-F297 HydrophobicContact CG-CE1 3.65Å; R275-F297 HydrophobicContact CG-CZ 4.19Å
276A96.2Very high92.5Very high19 Ų1955.2 Ų55.216%0.15730%0.295CS..EExtended strand (participates in β ladder)trans-124157.5177.100000109.6F274 P294 S296 D298 R322F274-A276 PolarHBondContact O-N 3.04Å; A276-P294 WeakPolarHBondContact O-CB 3.33Å; A276-S296 PolarHBondContact N-O 3.49Å; A276-S296 WeakPolarHBondContact O-CB 3.33Å; A276-S296 PolarHBondContact O-N 3.25Å; A276-D298 HydrophobicContact CB-CB 4.47Å; A276-R322 HydrophobicContact CB-CB 4.46Å
277E95.5Very high92.3Very high142 Ų14259.7 Ų59.766%0.66433%0.326SS*.PPolyproline II helixtrans-56.6148.2171.9-66.5-56.7142.800111S296E277-S296 VanDerWaalsContact O-CB 3.29Å; E277-S296 WeakPolarHBondContact O-CB 3.34Å
278N92.7Very high92.2Very high49 Ų4962.1 Ų62.126%0.26234%0.335SS..PPolyproline II helixtrans-63.5156.7174-57.2-45.2000109.9G293 N295 S296N278-G293 PolarHBondContact ND2-O 3.1Å; N278-N295 VanDerWaalsContact OD1-CA 3.28Å; N278-N295 WeakPolarHBondContact OD1-CA 3.48Å; N278-N295 WeakPolarHBondContact OD1-CB 3.4Å; N278-N295 PolarHBondContact OD1-N 2.95Å; N278-S296 PolarHBondContact OD1-N 3.46Å
279F93.2Very high92.1Very high44 Ų4460.8 Ų60.819%0.19333%0.328CS..PPolyproline II helixtrans-57.9142.1166.5-159.7-78.9000109.5K132 Y133 Q281 L324 Y325K132-F279 HydrophobicContact CD-CE1 4.4Å; Y133-F279 AromaticContact CE2-CE2 3.8Å; Y133-F279 HydrophobicContact CE2-CE2 3.8Å; Y133-F279 HydrophobicContact CE2-CZ 4.19Å; F279-Q281 WeakPolarHBondContact O-CG 3.44Å; F279-Q281 PolarHBondContact O-N 2.59Å; F279-L324 WeakPolarHBondContact CB-O 3.39Å; F279-Y325 AromaticContact CD1-CD2 3.44Å; F279-Y325 HydrophobicContact CD1-CD2 3.44Å; F279-Y325 VanDerWaalsContact CD1-CD2 3.44Å; F279-Y325 HydrophobicContact CD1-CE2 4.02Å; F279-Y325 HydrophobicContact CD1-CG 4.45Å; F279-Y325 AromaticContact CE1-CD2 3.84Å; F279-Y325 HydrophobicContact CE1-CD2 3.84Å; F279-Y325 HydrophobicContact CE1-CE2 4.37Å; F279-Y325 HydrophobicContact CG-CD2 4.12Å
280D89.1Confident91.9Very high132 Ų13265.8 Ų65.871%0.70635%0.345SS*.  trans-68.9106.4178-176.415.3000110.6S282D280-S282 PolarHBondContact O-N 2.93Å
281Q87.5Confident91.3Very high32 Ų3267.2 Ų67.215%0.1535%0.354CS..  trans-94.794.8178.4-56.7-170.2-70.300108.6F279 K283 L285 Y325 W326F279-Q281 WeakPolarHBondContact O-CG 3.44Å; F279-Q281 PolarHBondContact O-N 2.59Å; Q281-K283 PolarHBondContact O-N 3.36Å; Q281-K283 VanDerWaalsContact O-N 3.15Å; Q281-L285 HydrophobicContact CB-CD1 4.44Å; Q281-L285 HydrophobicContact CB-CD2 4.33Å; Q281-Y325 HydrophobicContact CB-CE2 4.23Å; Q281-Y325 HydrophobicContact CG-CD2 4.35Å; Q281-Y325 HydrophobicContact CG-CE1 4.12Å; Q281-Y325 HydrophobicContact CG-CE2 3.81Å; Q281-Y325 PolarHBondContact NE2-O 3.35Å; Q281-Y325 VanDerWaalsContact NE2-O 3.08Å; Q281-W326 VanDerWaalsContact NE2-CE3 3.32Å; Q281-W326 VanDerWaalsContact NE2-CZ3 3.33Å
282S73.1Confident90.7Very high96 Ų9675.7 Ų75.767%0.67139%0.394SS*.  trans-66.4-13.7-175.862.50000114.9D280D280-S282 PolarHBondContact O-N 2.93Å
283K74.8Confident90.4Very high45 Ų4573.2 Ų73.220%0.19640%0.395CS..SBendtrans-91.4142.3178-66.5-173.8-174.8168.90111.1E155 W156 Q281 L285E155-K283 HydrophobicContact CB-CD 4.2Å; E155-K283 VanDerWaalsContact CB-NZ 3.33Å; E155-K283 WeakPolarHBondContact OE2-CE 3.32Å; E155-K283 IonicContact OE2-NZ 2.7Å; E155-K283 PolarHBondContact OE2-NZ 2.75Å; W156-K283 HydrophobicContact CD2-CD 4.23Å; W156-K283 HydrophobicContact CZ2-CD 4.2Å; Q281-K283 PolarHBondContact O-N 3.36Å; Q281-K283 VanDerWaalsContact O-N 3.15Å; K283-L285 PolarHBondContact O-N 2.99Å
284S79.4Confident90.3Very high105 Ų10571.4 Ų71.473%0.73438%0.383SS*.  trans-6493.5169.8-64.40000110.6
285L89.5Confident90.1Very high24 Ų2471.6 Ų71.613%0.12639%0.385CS..  trans-56.6147178.4-57173.1000111.2Q281 K283 R290 W326Q281-L285 HydrophobicContact CB-CD1 4.44Å; Q281-L285 HydrophobicContact CB-CD2 4.33Å; K283-L285 PolarHBondContact O-N 2.99Å; L285-R290 HydrophobicContact CB-CG 4.02Å; L285-R290 VanDerWaalsContact O-CZ 3.26Å; L285-R290 PolarHBondContact O-NE 2.98Å; L285-R290 PolarHBondContact O-NH2 2.88Å; L285-W326 HydrophobicContact CD2-CH2 3.78Å; L285-W326 HydrophobicContact CD2-CZ3 3.89Å
286L94.1Very high90.2Very high105 Ų10567 Ų6755%0.5537%0.369SS..  trans-62.6147.5166.9-65.2176.1000109.8Y288 L289 R290L286-Y288 HydrophobicContact CB-CD1 3.81Å; L286-Y288 HydrophobicContact CB-CE1 3.83Å; L286-Y288 HydrophobicContact CD1-CE1 4.03Å; L286-Y288 PolarHBondContact O-N 2.72Å; L286-Y288 VanDerWaalsContact O-N 3.13Å; L286-L289 PolarHBondContact O-N 2.8Å; L286-R290 PolarHBondContact O-N 2.96Å
287S94.7Very high90.2Very high93 Ų9366.2 Ų66.265%0.6536%0.362SS*.G310 helixtrans-55.6-35.8-17049.70000113.8L289 R290S287-L289 PolarHBondContact O-N 2.85Å; S287-R290 PolarHBondContact O-N 3.48Å
288Y96.9Very high90.4Very high60 Ų6061.8 Ų61.824%0.23534%0.342CS..G310 helixtrans-69-13.5-179.285.7-77.9000114.7I220 L286 H334 I337I220-Y288 WeakPolarHBondContact CB-O 3.3Å; L286-Y288 HydrophobicContact CB-CD1 3.81Å; L286-Y288 HydrophobicContact CB-CE1 3.83Å; L286-Y288 HydrophobicContact CD1-CE1 4.03Å; L286-Y288 PolarHBondContact O-N 2.72Å; L286-Y288 VanDerWaalsContact O-N 3.13Å; Y288-H334 HydrophobicContact CE2-CB 4.37Å; Y288-H334 AromaticContact CE2-ND1 3.76Å; Y288-H334 AromaticContact CZ-ND1 3.71Å; Y288-H334 PolarHBondContact OH-CE1 2.89Å; Y288-H334 PolarHBondContact OH-ND1 2.82Å; Y288-I337 HydrophobicContact CD2-CB 4.27Å; Y288-I337 HydrophobicContact CD2-CD1 3.75Å; Y288-I337 HydrophobicContact CD2-CG1 3.76Å; Y288-I337 HydrophobicContact CE2-CB 4.18Å; Y288-I337 HydrophobicContact CE2-CD1 4.46Å; Y288-I337 HydrophobicContact CE2-CG1 3.99Å; Y288-I337 HydrophobicContact CE2-CG2 4.36Å; Y288-I337 HydrophobicContact CG-CD1 4.13Å; Y288-I337 HydrophobicContact CG-CG1 4.33Å
289L96.3Very high90.7Very high2 Ų259.4 Ų59.41%0.0133%0.33CS..G310 helixtrans-107.7-1.8176.2-69174.5000113.2L286 S287 C291 W326 Q330 H334L286-L289 PolarHBondContact O-N 2.8Å; S287-L289 PolarHBondContact O-N 2.85Å; L289-C291 PolarHBondContact O-N 2.89Å; L289-W326 HydrophobicContact CB-CZ3 4.4Å; L289-W326 HydrophobicContact CD1-CH2 3.98Å; L289-W326 HydrophobicContact CD1-CZ3 3.79Å; L289-Q330 HydrophobicContact CB-CG 4.47Å; L289-Q330 HydrophobicContact CD2-CB 4.01Å; L289-Q330 HydrophobicContact CD2-CG 4.24Å; L289-Q330 WeakPolarHBondContact O-CG 3.28Å; L289-Q330 PolarHBondContact O-NE2 3.33Å; L289-H334 HydrophobicContact CD2-CB 4.17Å
290R93.4Very high90.9Very high141 Ų14159.8 Ų59.853%0.53233%0.334SS..  trans-75.8124.2175.9-66-179.2-167.7173.71.7108.4I220 L285 L286 S287I220-R290 VanDerWaalsContact CG2-O 3.29Å; I220-R290 WeakPolarHBondContact CG2-O 3.43Å; L285-R290 HydrophobicContact CB-CG 4.02Å; L285-R290 VanDerWaalsContact O-CZ 3.26Å; L285-R290 PolarHBondContact O-NE 2.98Å; L285-R290 PolarHBondContact O-NH2 2.88Å; L286-R290 PolarHBondContact O-N 2.96Å; S287-R290 PolarHBondContact O-N 3.48Å
291C87.1Confident91.4Very high31 Ų3153.6 Ų53.621%0.20930%0.301CS..  trans-118.5143.8174.657.10000109.6I220 L289 N295I220-C291 HydrophobicContact CD1-CB 4.34Å; I220-C291 HydrophobicContact CG1-CB 3.88Å; L289-C291 PolarHBondContact O-N 2.89Å; C291-N295 WeakPolarHBondContact CB-ND2 3.41Å; C291-N295 PolarHBondContact SG-ND2 2.9Å
292E85.8Confident91.9Very high179 Ų17953.2 Ų53.284%0.83630%0.299SS*.  trans-85.5141.8173.5-65.8-169.716800110.9N295E292-N295 PolarHBondContact O-ND2 3.39Å
293G89.2Confident93.2Very high44 Ų4448.6 Ų48.645%0.45427%0.267SS..SBendtrans68.7-175.217300000115.5N278 N295N278-G293 PolarHBondContact ND2-O 3.1Å; G293-N295 PolarHBondContact O-N 2.84Å; G293-N295 PolarHBondContact O-ND2 2.86Å
294P93.5Very high94.3Very high44 Ų4446.9 Ų46.929%0.28626%0.26SS..  trans-74.1115.4-176.327.4-33.1000111.3R275 A276R275-P294 PolarHBondContact NH1-O 3.21Å; A276-P294 WeakPolarHBondContact O-CB 3.33Å
295N94.4Very high95.2Very high15 Ų1541.9 Ų41.98%0.0823%0.225CC..  trans-116.712.8178.3-66.1-65.5000113.1R275 N278 C291 E292 G293R275-N295 PolarHBondContact NH1-OD1 3.15Å; N278-N295 VanDerWaalsContact OD1-CA 3.28Å; N278-N295 WeakPolarHBondContact OD1-CA 3.48Å; N278-N295 WeakPolarHBondContact OD1-CB 3.4Å; N278-N295 PolarHBondContact OD1-N 2.95Å; C291-N295 WeakPolarHBondContact CB-ND2 3.41Å; C291-N295 PolarHBondContact SG-ND2 2.9Å; E292-N295 PolarHBondContact O-ND2 3.39Å; G293-N295 PolarHBondContact O-N 2.84Å; G293-N295 PolarHBondContact O-ND2 2.86Å
296S97.2Very high95.6Very high6 Ų643.6 Ų43.64%0.04223%0.231CC..EExtended strand (participates in β ladder)trans-102174.9170.5-162.70000111.4R275 A276 E277 N278 R322R275-S296 WeakPolarHBondContact CA-O 3.37Å; A276-S296 PolarHBondContact N-O 3.49Å; A276-S296 WeakPolarHBondContact O-CB 3.33Å; A276-S296 PolarHBondContact O-N 3.25Å; E277-S296 VanDerWaalsContact O-CB 3.29Å; E277-S296 WeakPolarHBondContact O-CB 3.34Å; N278-S296 PolarHBondContact OD1-N 3.46Å; S296-R322 WeakPolarHBondContact OG-CA 3.09Å
297F98.1Very high95.7Very high2 Ų238.6 Ų38.61%0.00921%0.205CC..EExtended strand (participates in β ladder)trans-139.7140.7179.9-63.5-88.6000111.5M268 L271 F274 R275 I299 F321 R322 M328M268-F297 HydrophobicContact CE-CD2 4.36Å; M268-F297 HydrophobicContact CE-CE1 4Å; M268-F297 HydrophobicContact CE-CE2 3.44Å; M268-F297 VanDerWaalsContact CE-CE2 3.44Å; M268-F297 HydrophobicContact CE-CZ 3.21Å; L271-F297 HydrophobicContact CB-CD1 3.82Å; L271-F297 HydrophobicContact CB-CE1 3.82Å; F274-F297 CarbonylContact O-C 3.52Å; F274-F297 WeakPolarHBondContact O-CA 3.5Å; R275-F297 HydrophobicContact CG-CD1 4.16Å; R275-F297 HydrophobicContact CG-CE1 3.65Å; R275-F297 HydrophobicContact CG-CZ 4.19Å; F297-I299 HydrophobicContact CB-CD1 3.91Å; F297-I299 HydrophobicContact CB-CG1 3.74Å; F297-I299 PolarHBondContact O-N 2.67Å; F297-I299 VanDerWaalsContact O-N 3.13Å; F297-F321 HydrophobicContact CB-CD1 3.94Å; F297-F321 HydrophobicContact CB-CE1 4.22Å; F297-F321 AromaticContact CD2-CE1 3.94Å; F297-F321 HydrophobicContact CD2-CE1 3.94Å; F297-F321 WeakPolarHBondContact O-CD1 3.31Å; F297-R322 PolarHBondContact O-N 2.9Å; F297-M328 HydrophobicContact CD2-CE 3.9Å; F297-M328 HydrophobicContact CE2-CE 3.55Å
298D98.2Very high95.7Very high48 Ų4839.1 Ų39.126%0.25720%0.201SC..  trans-82.185.6170.7-171.811.9000109.9F274 A276 N320 C398F274-D298 PolarHBondContact O-N 3.32Å; A276-D298 HydrophobicContact CB-CB 4.47Å; D298-N320 PolarHBondContact OD1-ND2 2.97Å; D298-C398 PolarHBondContact O-SG 2.95Å
299I98.8Very high95.4Very high0 Ų041 Ų410%022%0.223CC..  trans-114.4109.6176.6-45.4175.9000107.1M230 F297 L301 N320 F321 F407M230-I299 HydrophobicContact CE-CD1 3.93Å; M230-I299 HydrophobicContact SD-CD1 4Å; F297-I299 HydrophobicContact CB-CD1 3.91Å; F297-I299 HydrophobicContact CB-CG1 3.74Å; F297-I299 PolarHBondContact O-N 2.67Å; F297-I299 VanDerWaalsContact O-N 3.13Å; I299-L301 HydrophobicContact CG2-CD2 4.07Å; I299-L301 PolarHBondContact O-N 2.69Å; I299-N320 PolarHBondContact N-OD1 3.44Å; I299-N320 VanDerWaalsContact O-CA 3.28Å; I299-N320 WeakPolarHBondContact O-CA 3.46Å; I299-N320 PolarHBondContact O-ND2 2.61Å; I299-N320 PolarHBondContact O-OD1 3.01Å; I299-F321 HydrophobicContact CB-CB 3.7Å; I299-F321 HydrophobicContact CD1-CB 4.02Å; I299-F321 HydrophobicContact CD1-CD1 4.21Å; I299-F321 HydrophobicContact CD1-CD2 4.38Å; I299-F321 HydrophobicContact CD1-CG 3.95Å; I299-F321 HydrophobicContact CG1-CB 3.99Å; I299-F321 HydrophobicContact CG1-CG 4.37Å; I299-F321 PolarHBondContact O-N 2.86Å; I299-F407 HydrophobicContact CD1-CE2 4.46Å; I299-F407 HydrophobicContact CD1-CZ 4.19Å; I299-F407 HydrophobicContact CG2-CD2 4.43Å; I299-F407 HydrophobicContact CG2-CE2 3.81Å; I299-F407 HydrophobicContact CG2-CZ 4.46Å
300N98.7Very high95.2Very high51 Ų5142.4 Ų42.427%0.27323%0.233SC..EExtended strand (participates in β ladder)trans-68.7131.9172.2-57.8-84.3000108G396 W397N300-G396 CarbonylContact O-C 3.43Å; N300-G396 WeakPolarHBondContact O-CA 3.24Å; N300-W397 HydrophobicContact CB-CD2 4.26Å; N300-W397 HydrophobicContact CB-CZ2 4.03Å; N300-W397 WeakPolarHBondContact CB-O 3.48Å; N300-W397 PolarHBondContact N-O 2.92Å; N300-W397 PolarHBondContact ND2-O 3.05Å; N300-W397 VanDerWaalsContact ND2-O 3.1Å; N300-W397 PolarHBondContact O-N 3.38Å
301L98.9Very high94.9Very high3 Ų342.7 Ų42.72%0.01625%0.245CC..EExtended strand (participates in β ladder)trans-120.7136.2179.8-62.3173.7000109.1L202 T204 L232 I299 R318 S319 F321 V353 K395L202-L301 HydrophobicContact CD1-CB 4.11Å; L202-L301 HydrophobicContact CD1-CD1 4.37Å; L202-L301 HydrophobicContact CD2-CB 3.9Å; L202-L301 HydrophobicContact CD2-CD1 4.3Å; L202-L301 HydrophobicContact CG-CB 4.46Å; L202-L301 HydrophobicContact CG-CD1 4.36Å; T204-L301 HydrophobicContact CG2-CD1 4.26Å; T204-L301 HydrophobicContact CG2-CD2 4.01Å; L232-L301 HydrophobicContact CD2-CD2 3.79Å; I299-L301 HydrophobicContact CG2-CD2 4.07Å; I299-L301 PolarHBondContact O-N 2.69Å; L301-R318 CarbonylContact O-C 3.54Å; L301-R318 WeakPolarHBondContact O-CA 3.43Å; L301-S319 PolarHBondContact N-O 2.86Å; L301-S319 PolarHBondContact O-N 2.9Å; L301-F321 HydrophobicContact CD1-CB 4.43Å; L301-V353 HydrophobicContact CD1-CB 4.08Å; L301-V353 HydrophobicContact CD1-CG1 3.85Å; L301-V353 HydrophobicContact CD1-CG2 4.24Å; L301-K395 WeakPolarHBondContact CA-O 3.38Å
302E98.8Very high95.3Very high23 Ų2346.6 Ų46.611%0.10726%0.26CS..EExtended strand (participates in β ladder)trans-135.9139.1179.4-174178.183.300110.2T315 C317 R318 L394 K395 W397E302-T315 HydrophobicContact CG-CG2 3.58Å; E302-C317 CarbonylContact C-O 3.43Å; E302-C317 WeakPolarHBondContact CA-O 3.34Å; E302-R318 HydrophobicContact CG-CG 4.18Å; E302-R318 IonicContact OE2-CZ 2.62Å; E302-R318 VanDerWaalsContact OE2-CZ 3.28Å; E302-R318 IonicContact OE2-NE 3.54Å; E302-R318 PolarHBondContact OE2-NE 3.27Å; E302-R318 IonicContact OE2-NH2 3.99Å; E302-R318 PolarHBondContact OE2-NH2 3.15Å; E302-L394 WeakPolarHBondContact O-CA 3.23Å; E302-K395 HydrophobicContact CB-CB 4.48Å; E302-K395 PolarHBondContact N-O 2.91Å; E302-K395 PolarHBondContact O-N 2.77Å; E302-W397 HydrophobicContact CB-CH2 3.92Å; E302-W397 HydrophobicContact CB-CZ3 3.93Å
303V98.9Very high95.8Very high0 Ų040.5 Ų40.50%024%0.24CC..EExtended strand (participates in β ladder)trans-117.3130.1170.9-173.10000109.6F200 L202 T315 I316 C317 I392 L394F200-V303 HydrophobicContact CD1-CG1 4.48Å; F200-V303 HydrophobicContact CD2-CG1 4.08Å; F200-V303 HydrophobicContact CD2-CG2 4.33Å; F200-V303 HydrophobicContact CE1-CG1 4.22Å; F200-V303 HydrophobicContact CE2-CB 4.14Å; F200-V303 HydrophobicContact CE2-CG1 3.81Å; F200-V303 HydrophobicContact CE2-CG2 3.72Å; F200-V303 HydrophobicContact CG-CG1 4.43Å; F200-V303 HydrophobicContact CZ-CB 4.26Å; F200-V303 HydrophobicContact CZ-CG1 3.88Å; F200-V303 HydrophobicContact CZ-CG2 4.28Å; L202-V303 HydrophobicContact CB-CG2 3.96Å; L202-V303 HydrophobicContact CD1-CG2 3.88Å; L202-V303 HydrophobicContact CD2-CG2 4.06Å; L202-V303 HydrophobicContact CG-CG2 4.17Å; V303-T315 WeakPolarHBondContact O-CA 3.5Å; V303-I316 HydrophobicContact CB-CG1 4.2Å; V303-I316 HydrophobicContact CG1-CD1 4.13Å; V303-I316 HydrophobicContact CG1-CG1 4.03Å; V303-I316 PolarHBondContact O-N 2.88Å; V303-C317 HydrophobicContact CB-CB 3.99Å; V303-C317 HydrophobicContact CG2-CB 4.05Å; V303-C317 PolarHBondContact N-O 3.41Å; V303-C317 PolarHBondContact O-N 2.98Å; V303-I392 HydrophobicContact CG1-CG2 4.02Å; V303-L394 HydrophobicContact CG1-CD1 4.13Å; V303-L394 HydrophobicContact CG2-CD1 4.18Å; V303-L394 HydrophobicContact CG2-CG 4.11Å
304T98.6Very high96.2Very high9 Ų939.7 Ų39.76%0.05523%0.225CC..EExtended strand (participates in β ladder)trans-115.8146.5171.956.90000110.8H314 I392 N393T304-H314 CarbonylContact C-O 3.5Å; T304-H314 VanDerWaalsContact CA-O 3.23Å; T304-H314 WeakPolarHBondContact CA-O 3.4Å; T304-I392 WeakPolarHBondContact O-CA 3.48Å; T304-N393 PolarHBondContact N-O 3.04Å; T304-N393 PolarHBondContact O-N 3.09Å; T304-N393 PolarHBondContact OG1-O 3.26Å
305I98.4Very high96.3Very high0 Ų040.1 Ų40.10%023%0.226CC..EExtended strand (participates in β ladder)trans-119.7130.6170.4-171.3171.4000109.4A313 H314 I316 L377 R383 L386 D390 E391 I392I305-A313 WeakPolarHBondContact O-CA 3.48Å; I305-H314 HydrophobicContact CG2-CB 4.36Å; I305-H314 PolarHBondContact N-O 3.31Å; I305-H314 PolarHBondContact O-N 3.13Å; I305-I316 HydrophobicContact CB-CD1 4.09Å; I305-I316 HydrophobicContact CG2-CD1 4.13Å; I305-I316 HydrophobicContact CG2-CG1 4.44Å; I305-I316 HydrophobicContact CG2-CG2 3.55Å; I305-L377 HydrophobicContact CD1-CD1 4.3Å; I305-L377 HydrophobicContact CG2-CD1 3.79Å; I305-L377 HydrophobicContact CG2-CD2 3.48Å; I305-L377 VanDerWaalsContact CG2-CD2 3.48Å; I305-L377 HydrophobicContact CG2-CG 4.29Å; I305-R383 HydrophobicContact CD1-CG 4.11Å; I305-L386 HydrophobicContact CD1-CD2 3.77Å; I305-D390 HydrophobicContact CD1-CB 4.16Å; I305-D390 HydrophobicContact CG1-CB 4.21Å; I305-E391 CarbonylContact C-O 3.57Å; I305-E391 WeakPolarHBondContact CA-O 3.2Å; I305-I392 HydrophobicContact CB-CD1 3.78Å; I305-I392 HydrophobicContact CD1-CD1 4.03Å; I305-I392 HydrophobicContact CG1-CD1 3.77Å
306K97.7Very high96.5Very high59 Ų5940.1 Ų40.126%0.25723%0.226SC..EExtended strand (participates in β ladder)trans-114.6107.1171.6175.9178.4163.4158.90108.5S310 D311 A313 E391K306-S310 WeakPolarHBondContact CE-O 3.44Å; K306-D311 PolarHBondContact NZ-O 3.45Å; K306-D311 IonicContact NZ-OD1 3.67Å; K306-D311 PolarHBondContact NZ-OD1 3.35Å; K306-A313 HydrophobicContact CB-CB 4.06Å; K306-E391 HydrophobicContact CB-CB 4.3Å; K306-E391 PolarHBondContact N-O 3.41Å; K306-E391 PolarHBondContact O-N 3.31Å
307P96.9Very high96.6Very high0 Ų039.9 Ų39.90%023%0.225CC..  trans-62.3147.8172.8-23.234.9000111.9S309 S310 L377 V381 D390P307-S309 PolarHBondContact O-N 3.13Å; P307-S309 VanDerWaalsContact O-N 3.15Å; P307-S310 PolarHBondContact O-N 2.83Å; P307-L377 HydrophobicContact CG-CD1 3.68Å; P307-V381 HydrophobicContact CG-CG1 4.28Å; P307-D390 WeakPolarHBondContact CA-OD1 3.23Å
308D93.7Very high96.6Very high104 Ų10446.5 Ų46.556%0.55625%0.249SC*.THydrogen-bonded Turntrans-60.3-27.7177.6-158.749.1000113S310 K413D308-S310 VanDerWaalsContact C-N 3.26Å; D308-S310 PolarHBondContact O-N 3.47Å; D308-K413 IonicContact OD1-NZ 3.77Å; D308-K413 PolarHBondContact OD1-NZ 3.04Å
309S91.8Very high96.6Very high100 Ų10044.5 Ų44.570%0.69924%0.239SC*.THydrogen-bonded Turntrans-79.6-0.6178.865.40000114.4P307P307-S309 PolarHBondContact O-N 3.13Å; P307-S309 VanDerWaalsContact O-N 3.15Å
310S90.3Very high96.6Very high31 Ų3144.9 Ų44.922%0.21724%0.241CC..  trans-138.1143.8-174.3-176.70000111K306 P307 D308 E312K306-S310 WeakPolarHBondContact CE-O 3.44Å; P307-S310 PolarHBondContact O-N 2.83Å; D308-S310 VanDerWaalsContact C-N 3.26Å; D308-S310 PolarHBondContact O-N 3.47Å; S310-E312 PolarHBondContact OG-N 3.03Å; S310-E312 VanDerWaalsContact OG-N 3.09Å; S310-E312 PolarHBondContact OG-O 3.1Å
311D89.1Confident96.6Very high148 Ų14842.6 Ų42.679%0.79123%0.229SC*.SBendtrans-85-13.4168.4-83.5-43.5000113.6K306K306-D311 PolarHBondContact NZ-O 3.45Å; K306-D311 IonicContact NZ-OD1 3.67Å; K306-D311 PolarHBondContact NZ-OD1 3.35Å
312E94Very high96.5Very high113 Ų11347.8 Ų47.853%0.52825%0.248SC..  trans-84.4132179.3-168.2-179.6172.500111.1S310 H314S310-E312 PolarHBondContact OG-N 3.03Å; S310-E312 VanDerWaalsContact OG-N 3.09Å; S310-E312 PolarHBondContact OG-O 3.1Å; E312-H314 IonicContact OE1-CE1 3.02Å; E312-H314 IonicContact OE1-ND1 2.67Å; E312-H314 IonicContact OE2-CE1 2.88Å
313A96.3Very high96.5Very high50 Ų5048.9 Ų48.941%0.41325%0.252SS..  trans-93.5135170.400000110I305 K306I305-A313 WeakPolarHBondContact O-CA 3.48Å; K306-A313 HydrophobicContact CB-CB 4.06Å
314H97.1Very high96.4Very high28 Ų2849.2 Ų49.213%0.1325%0.253CS..EExtended strand (participates in β ladder)trans-110.2129.7-177.3-56.5-71.3000110.6T304 I305 E312 I316 L377T304-H314 CarbonylContact C-O 3.5Å; T304-H314 VanDerWaalsContact CA-O 3.23Å; T304-H314 WeakPolarHBondContact CA-O 3.4Å; I305-H314 HydrophobicContact CG2-CB 4.36Å; I305-H314 PolarHBondContact N-O 3.31Å; I305-H314 PolarHBondContact O-N 3.13Å; E312-H314 IonicContact OE1-CE1 3.02Å; E312-H314 IonicContact OE1-ND1 2.67Å; E312-H314 IonicContact OE2-CE1 2.88Å; H314-I316 PolarHBondContact O-N 2.65Å; H314-L377 HydrophobicContact CB-CB 4.46Å; H314-L377 HydrophobicContact CB-CD2 4.24Å; H314-L377 PolarHBondContact CD2-O 3.11Å; H314-L377 PolarHBondContact CE1-O 3.07Å; H314-L377 PolarHBondContact ND1-O 3.25Å; H314-L377 PolarHBondContact NE2-O 3.43Å
315T97.5Very high96.3Very high52 Ų5249 Ų4932%0.31925%0.252SS..EExtended strand (participates in β ladder)trans-72.9124.9173.2-53.20000110.4E302 V303 R318E302-T315 HydrophobicContact CG-CG2 3.58Å; V303-T315 WeakPolarHBondContact O-CA 3.5Å; T315-R318 HydrophobicContact CG2-CG 3.84Å; T315-R318 PolarHBondContact OG1-NH2 3.36Å
316I97.9Very high96.3Very high16 Ų1649.1 Ų49.18%0.08225%0.252CS..EExtended strand (participates in β ladder)trans-114.9-15.8179.755.9171.7000113.4F200 V303 I305 H314 M364 L367 I375 L377 I392F200-I316 HydrophobicContact CD1-CD1 4.26Å; F200-I316 HydrophobicContact CE1-CD1 3.43Å; F200-I316 VanDerWaalsContact CE1-CD1 3.43Å; F200-I316 HydrophobicContact CE1-CG1 4.41Å; F200-I316 HydrophobicContact CZ-CD1 3.97Å; V303-I316 HydrophobicContact CB-CG1 4.2Å; V303-I316 HydrophobicContact CG1-CD1 4.13Å; V303-I316 HydrophobicContact CG1-CG1 4.03Å; V303-I316 PolarHBondContact O-N 2.88Å; I305-I316 HydrophobicContact CB-CD1 4.09Å; I305-I316 HydrophobicContact CG2-CD1 4.13Å; I305-I316 HydrophobicContact CG2-CG1 4.44Å; I305-I316 HydrophobicContact CG2-CG2 3.55Å; H314-I316 PolarHBondContact O-N 2.65Å; I316-M364 HydrophobicContact CD1-SD 3.91Å; I316-L367 HydrophobicContact CB-CD1 4.4Å; I316-L367 HydrophobicContact CD1-CD1 4.49Å; I316-L367 WeakPolarHBondContact O-CD2 3.46Å; I316-I375 HydrophobicContact CB-CG2 4.41Å; I316-I375 HydrophobicContact CG2-CG2 3.87Å; I316-L377 HydrophobicContact CG2-CD2 3.58Å; I316-I392 HydrophobicContact CD1-CD1 4.4Å
317C98.3Very high96.2Very high1 Ų146.7 Ų46.71%0.00724%0.243CC..EExtended strand (participates in β ladder)trans-145.8136.4175173.90000110.6E302 V303 D359 L361E302-C317 CarbonylContact C-O 3.43Å; E302-C317 WeakPolarHBondContact CA-O 3.34Å; V303-C317 HydrophobicContact CB-CB 3.99Å; V303-C317 HydrophobicContact CG2-CB 4.05Å; V303-C317 PolarHBondContact N-O 3.41Å; V303-C317 PolarHBondContact O-N 2.98Å; C317-D359 CarbonylContact C-O 3.59Å; C317-D359 WeakPolarHBondContact CA-O 3.49Å; C317-L361 WeakPolarHBondContact CB-O 3.16Å; C317-L361 PolarHBondContact SG-O 2.8Å
318R98.7Very high96.3Very high140 Ų14046.9 Ų46.953%0.52824%0.244SC..EExtended strand (participates in β ladder)trans-128.5107.4164.2-70.9-171.417696.17.5108.7L301 E302 T315 D359 S360L301-R318 CarbonylContact O-C 3.54Å; L301-R318 WeakPolarHBondContact O-CA 3.43Å; E302-R318 HydrophobicContact CG-CG 4.18Å; E302-R318 IonicContact OE2-CZ 2.62Å; E302-R318 VanDerWaalsContact OE2-CZ 3.28Å; E302-R318 IonicContact OE2-NE 3.54Å; E302-R318 PolarHBondContact OE2-NE 3.27Å; E302-R318 IonicContact OE2-NH2 3.99Å; E302-R318 PolarHBondContact OE2-NH2 3.15Å; T315-R318 HydrophobicContact CG2-CG 3.84Å; T315-R318 PolarHBondContact OG1-NH2 3.36Å; R318-D359 PolarHBondContact N-O 3.34Å; R318-S360 VanDerWaalsContact O-CA 3.26Å; R318-S360 WeakPolarHBondContact O-CA 3.45Å; R318-S360 WeakPolarHBondContact O-CB 3.35Å
319S98.7Very high96.5Very high7 Ų742.4 Ų42.45%0.04922%0.22CC..EExtended strand (participates in β ladder)trans-122.6-172.1-178.7-167.60000110.2L301 V353 S360L301-S319 PolarHBondContact N-O 2.86Å; L301-S319 PolarHBondContact O-N 2.9Å; S319-V353 PolarHBondContact OG-O 2.97Å; S319-S360 PolarHBondContact OG-O 2.95Å
320N98.7Very high96.8Very high7 Ų737.8 Ų37.84%0.03719%0.187CC..EExtended strand (participates in β ladder)trans-149.4138.3175.8-165.1-65.5000110.6D298 I299 R322 Y323D298-N320 PolarHBondContact OD1-ND2 2.97Å; I299-N320 PolarHBondContact N-OD1 3.44Å; I299-N320 VanDerWaalsContact O-CA 3.28Å; I299-N320 WeakPolarHBondContact O-CA 3.46Å; I299-N320 PolarHBondContact O-ND2 2.61Å; I299-N320 PolarHBondContact O-OD1 3.01Å; N320-R322 HydrophobicContact CB-CG 4.15Å; N320-R322 PolarHBondContact O-N 2.78Å; N320-R322 VanDerWaalsContact O-N 3.11Å; N320-R322 WeakPolarHBondContact OD1-CB 3.45Å; N320-R322 WeakPolarHBondContact OD1-CD 3.35Å; N320-R322 WeakPolarHBondContact OD1-CG 3.44Å; N320-R322 PolarHBondContact OD1-N 2.79Å; N320-Y323 HydrophobicContact CB-CD2 3.93Å; N320-Y323 HydrophobicContact CB-CE2 3.7Å; N320-Y323 WeakPolarHBondContact O-CB 3.42Å; N320-Y323 VanDerWaalsContact O-CD2 3.24Å; N320-Y323 WeakPolarHBondContact O-CD2 3.12Å; N320-Y323 PolarHBondContact O-N 3.16Å; N320-Y323 VanDerWaalsContact O-N 3.09Å
321F98.6Very high97.2Very high3 Ų336.3 Ų36.31%0.01318%0.177CC..G310 helixtrans-54.9-30.8178.2178.9-92000112.8T204 M230 F297 I299 L301 Y323 L324 M328T204-F321 HydrophobicContact CG2-CD2 3.99Å; T204-F321 VanDerWaalsContact OG1-CD2 3.28Å; T204-F321 WeakPolarHBondContact OG1-CD2 3.22Å; T204-F321 WeakPolarHBondContact OG1-CE2 3.5Å; M230-F321 HydrophobicContact CE-CD2 3.83Å; M230-F321 HydrophobicContact CE-CE2 3.38Å; M230-F321 HydrophobicContact CE-CZ 3.81Å; F297-F321 HydrophobicContact CB-CD1 3.94Å; F297-F321 HydrophobicContact CB-CE1 4.22Å; F297-F321 AromaticContact CD2-CE1 3.94Å; F297-F321 HydrophobicContact CD2-CE1 3.94Å; F297-F321 WeakPolarHBondContact O-CD1 3.31Å; I299-F321 HydrophobicContact CB-CB 3.7Å; I299-F321 HydrophobicContact CD1-CB 4.02Å; I299-F321 HydrophobicContact CD1-CD1 4.21Å; I299-F321 HydrophobicContact CD1-CD2 4.38Å; I299-F321 HydrophobicContact CD1-CG 3.95Å; I299-F321 HydrophobicContact CG1-CB 3.99Å; I299-F321 HydrophobicContact CG1-CG 4.37Å; I299-F321 PolarHBondContact O-N 2.86Å; L301-F321 HydrophobicContact CD1-CB 4.43Å; F321-Y323 PolarHBondContact O-N 3.4Å; F321-L324 HydrophobicContact CD2-CD1 3.53Å; F321-L324 HydrophobicContact CE1-CD1 4.41Å; F321-L324 HydrophobicContact CE2-CD1 3.25Å; F321-L324 HydrophobicContact CG-CD1 4.25Å; F321-L324 HydrophobicContact CZ-CD1 3.75Å; F321-L324 WeakPolarHBondContact O-CB 3.49Å; F321-L324 WeakPolarHBondContact O-CG 3.27Å; F321-L324 PolarHBondContact O-N 2.68Å; F321-M328 HydrophobicContact CZ-CE 4.18Å; F321-M328 HydrophobicContact CZ-CG 4.09Å; F321-M328 HydrophobicContact CZ-SD 4.27Å
322R97.3Very high97.7Very high113 Ų11329.3 Ų29.343%0.42614%0.139SC..G310 helixtrans-61.3-12.9179.480.2-168.9-179.9170.7-1.7114.9A276 S296 F297 N320 L324A276-R322 HydrophobicContact CB-CB 4.46Å; S296-R322 WeakPolarHBondContact OG-CA 3.09Å; F297-R322 PolarHBondContact O-N 2.9Å; N320-R322 HydrophobicContact CB-CG 4.15Å; N320-R322 PolarHBondContact O-N 2.78Å; N320-R322 VanDerWaalsContact O-N 3.11Å; N320-R322 WeakPolarHBondContact OD1-CB 3.45Å; N320-R322 WeakPolarHBondContact OD1-CD 3.35Å; N320-R322 WeakPolarHBondContact OD1-CG 3.44Å; N320-R322 PolarHBondContact OD1-N 2.79Å; R322-L324 VanDerWaalsContact C-N 3.28Å
323Y97.4Very high97.9Very high46 Ų4624 Ų2418%0.1812%0.115CC..G310 helixtrans-80-6.9175.9-60.3-44.7000113.8Y133 N320 F321 Y325 P356Y133-Y323 HydrophobicContact CE2-CD1 4.39Å; Y133-Y323 HydrophobicContact CE2-CG 4.49Å; N320-Y323 HydrophobicContact CB-CD2 3.93Å; N320-Y323 HydrophobicContact CB-CE2 3.7Å; N320-Y323 WeakPolarHBondContact O-CB 3.42Å; N320-Y323 VanDerWaalsContact O-CD2 3.24Å; N320-Y323 WeakPolarHBondContact O-CD2 3.12Å; N320-Y323 PolarHBondContact O-N 3.16Å; N320-Y323 VanDerWaalsContact O-N 3.09Å; F321-Y323 PolarHBondContact O-N 3.4Å; Y323-Y325 PolarHBondContact O-N 3.31Å; Y323-P356 HydrophobicContact CE1-CG 4.26Å
324L97.8Very high98Very high6 Ų624.1 Ų24.13%0.03111%0.107CC..BIsolated β-bridgetrans-64.7128171.9-71.8175.2000110.8F279 F321 R322 V353F279-L324 WeakPolarHBondContact CB-O 3.39Å; F321-L324 HydrophobicContact CD2-CD1 3.53Å; F321-L324 HydrophobicContact CE1-CD1 4.41Å; F321-L324 HydrophobicContact CE2-CD1 3.25Å; F321-L324 HydrophobicContact CG-CD1 4.25Å; F321-L324 HydrophobicContact CZ-CD1 3.75Å; F321-L324 WeakPolarHBondContact O-CB 3.49Å; F321-L324 WeakPolarHBondContact O-CG 3.27Å; F321-L324 PolarHBondContact O-N 2.68Å; R322-L324 VanDerWaalsContact C-N 3.28Å; L324-V353 HydrophobicContact CD1-CG2 4.48Å; L324-V353 HydrophobicContact CD2-CG2 4.09Å; L324-V353 HydrophobicContact CG-CG1 4.43Å; L324-V353 HydrophobicContact CG-CG2 4.36Å
325Y96.5Very high98.1Very high6 Ų624.2 Ų24.22%0.02411%0.107CC..SBendtrans-74.3-36179.4-177.1-95000111.7S130 K132 F279 Q281 Y323S130-Y325 WeakPolarHBondContact O-CB 3.29Å; S130-Y325 PolarHBondContact O-N 3.44Å; K132-Y325 HydrophobicContact CB-CD2 4.16Å; K132-Y325 HydrophobicContact CB-CG 4.21Å; K132-Y325 HydrophobicContact CD-CD2 3.99Å; K132-Y325 HydrophobicContact CD-CE2 4.26Å; F279-Y325 AromaticContact CD1-CD2 3.44Å; F279-Y325 HydrophobicContact CD1-CD2 3.44Å; F279-Y325 VanDerWaalsContact CD1-CD2 3.44Å; F279-Y325 HydrophobicContact CD1-CE2 4.02Å; F279-Y325 HydrophobicContact CD1-CG 4.45Å; F279-Y325 AromaticContact CE1-CD2 3.84Å; F279-Y325 HydrophobicContact CE1-CD2 3.84Å; F279-Y325 HydrophobicContact CE1-CE2 4.37Å; F279-Y325 HydrophobicContact CG-CD2 4.12Å; Q281-Y325 HydrophobicContact CB-CE2 4.23Å; Q281-Y325 HydrophobicContact CG-CD2 4.35Å; Q281-Y325 HydrophobicContact CG-CE1 4.12Å; Q281-Y325 HydrophobicContact CG-CE2 3.81Å; Q281-Y325 PolarHBondContact NE2-O 3.35Å; Q281-Y325 VanDerWaalsContact NE2-O 3.08Å; Y323-Y325 PolarHBondContact O-N 3.31Å
326W97.3Very high98.1Very high1 Ų121.7 Ų21.70%0.0049%0.092CC..SBendtrans-105.1130.2174-58.5105.8000111.1A154 A157 P158 Q281 L285 L289 Q330 Q331A154-W326 PolarHBondContact O-NE1 3.33Å; A157-W326 VanDerWaalsContact C-CZ2 3.49Å; A157-W326 PolarHBondContact O-NE1 2.93Å; P158-W326 HydrophobicContact CB-CB 3.97Å; P158-W326 HydrophobicContact CB-CD2 3.88Å; P158-W326 HydrophobicContact CB-CG 3.6Å; P158-W326 HydrophobicContact CG-CD2 4.33Å; P158-W326 HydrophobicContact CG-CG 4.5Å; Q281-W326 VanDerWaalsContact NE2-CE3 3.32Å; Q281-W326 VanDerWaalsContact NE2-CZ3 3.33Å; L285-W326 HydrophobicContact CD2-CH2 3.78Å; L285-W326 HydrophobicContact CD2-CZ3 3.89Å; L289-W326 HydrophobicContact CB-CZ3 4.4Å; L289-W326 HydrophobicContact CD1-CH2 3.98Å; L289-W326 HydrophobicContact CD1-CZ3 3.79Å; W326-Q330 HydrophobicContact CE3-CB 4Å; W326-Q330 HydrophobicContact CE3-CG 4.24Å; W326-Q331 HydrophobicContact CB-CG 4.46Å
327S97.4Very high98.1Very high9 Ų924.7 Ų24.76%0.06311%0.107CC..  trans-72.1159.5173.461.60000112N329 Q330 Q331S327-N329 PolarHBondContact O-N 2.89Å; S327-Q330 PolarHBondContact O-N 3.24Å; S327-Q330 WeakPolarHBondContact OG-CG 3.4Å; S327-Q330 PolarHBondContact OG-N 3.04Å; S327-Q330 PolarHBondContact OG-OE1 3.48Å; S327-Q330 VanDerWaalsContact OG-OE1 3.04Å; S327-Q331 WeakPolarHBondContact O-CG 3.31Å; S327-Q331 PolarHBondContact O-N 3.38Å
328M98.4Very high98.2Very high3 Ų330.9 Ų30.92%0.01514%0.14CC..Hα-helixtrans-56.3-35.8171.4-64.9179.9-70.300112.2F206 I227 M230 M268 F297 F321 Q331 L332F206-M328 HydrophobicContact CB-SD 3.85Å; F206-M328 HydrophobicContact CD1-CB 3.85Å; F206-M328 HydrophobicContact CD1-CG 3.59Å; F206-M328 HydrophobicContact CD1-SD 3.71Å; F206-M328 HydrophobicContact CE1-CB 3.77Å; F206-M328 HydrophobicContact CE1-CG 3.92Å; F206-M328 HydrophobicContact CG-CG 4.45Å; F206-M328 HydrophobicContact CG-SD 4.05Å; F206-M328 HydrophobicContact CZ-CB 4.49Å; I227-M328 HydrophobicContact CD1-CB 3.92Å; M230-M328 HydrophobicContact CE-CE 4.28Å; M230-M328 HydrophobicContact CE-SD 3.81Å; M230-M328 HydrophobicContact CG-CE 4.32Å; M230-M328 HydrophobicContact CG-SD 3.85Å; M230-M328 HydrophobicContact SD-CE 3.61Å; M230-M328 HydrophobicContact SD-SD 3.66Å; M230-M328 VanDerWaalsContact SD-SD 3.66Å; M268-M328 HydrophobicContact CE-CE 3.53Å; M268-M328 HydrophobicContact SD-CE 4.17Å; F297-M328 HydrophobicContact CD2-CE 3.9Å; F297-M328 HydrophobicContact CE2-CE 3.55Å; F321-M328 HydrophobicContact CZ-CE 4.18Å; F321-M328 HydrophobicContact CZ-CG 4.09Å; F321-M328 HydrophobicContact CZ-SD 4.27Å; M328-Q331 PolarHBondContact O-N 3.07Å; M328-L332 WeakPolarHBondContact O-CB 3.47Å; M328-L332 PolarHBondContact O-N 3.16Å
329N98Very high98.2Very high11 Ų1124.4 Ų24.46%0.05912%0.117CC..Hα-helixtrans-59.8-49.1175.3-60.882.2000110.8I220 T223 S327 L332 A333I220-N329 VanDerWaalsContact CD1-C 3.41Å; I220-N329 HydrophobicContact CD1-CB 3.89Å; I220-N329 WeakPolarHBondContact CD1-O 3.19Å; T223-N329 WeakPolarHBondContact CG2-O 3.44Å; T223-N329 WeakPolarHBondContact OG1-CB 3.49Å; T223-N329 PolarHBondContact OG1-ND2 2.95Å; S327-N329 PolarHBondContact O-N 2.89Å; N329-L332 PolarHBondContact O-N 3.36Å; N329-A333 WeakPolarHBondContact O-CB 3.31Å; N329-A333 PolarHBondContact O-N 3.19Å
330Q97.9Very high98.2Very high2 Ų225.8 Ų25.81%0.00913%0.126CC..Hα-helixtrans-65.5-40.3177.7-74.4166.3-42.400112.3I220 L289 W326 S327 A333 H334I220-Q330 HydrophobicContact CD1-CG 4.01Å; L289-Q330 HydrophobicContact CB-CG 4.47Å; L289-Q330 HydrophobicContact CD2-CB 4.01Å; L289-Q330 HydrophobicContact CD2-CG 4.24Å; L289-Q330 WeakPolarHBondContact O-CG 3.28Å; L289-Q330 PolarHBondContact O-NE2 3.33Å; W326-Q330 HydrophobicContact CE3-CB 4Å; W326-Q330 HydrophobicContact CE3-CG 4.24Å; S327-Q330 PolarHBondContact O-N 3.24Å; S327-Q330 WeakPolarHBondContact OG-CG 3.4Å; S327-Q330 PolarHBondContact OG-N 3.04Å; S327-Q330 PolarHBondContact OG-OE1 3.48Å; S327-Q330 VanDerWaalsContact OG-OE1 3.04Å; Q330-A333 PolarHBondContact O-N 3.04Å; Q330-H334 VanDerWaalsContact O-CB 3.28Å; Q330-H334 WeakPolarHBondContact O-CB 3.42Å; Q330-H334 PolarHBondContact O-N 3.05Å
331Q98.7Very high98.2Very high1 Ų128 Ų281%0.00514%0.138CC..Hα-helixtrans-57.1-51.6174.9-70168.3-11.800110.8F128 S130 P158 W326 S327 M328 H334 H335F128-Q331 HydrophobicContact CB-CG 4.44Å; F128-Q331 HydrophobicContact CD1-CB 4.15Å; F128-Q331 HydrophobicContact CD1-CG 3.74Å; F128-Q331 HydrophobicContact CD2-CB 4.1Å; F128-Q331 HydrophobicContact CD2-CG 4.1Å; F128-Q331 HydrophobicContact CE1-CB 3.87Å; F128-Q331 HydrophobicContact CE1-CG 3.95Å; F128-Q331 HydrophobicContact CE2-CB 3.84Å; F128-Q331 HydrophobicContact CE2-CG 4.31Å; F128-Q331 HydrophobicContact CG-CB 4.26Å; F128-Q331 HydrophobicContact CG-CG 3.81Å; F128-Q331 HydrophobicContact CZ-CB 3.71Å; F128-Q331 HydrophobicContact CZ-CG 4.24Å; F128-Q331 VanDerWaalsContact CZ-O 3.3Å; F128-Q331 WeakPolarHBondContact CZ-O 3.22Å; S130-Q331 PolarHBondContact OG-NE2 2.79Å; P158-Q331 HydrophobicContact CB-CG 4.43Å; W326-Q331 HydrophobicContact CB-CG 4.46Å; S327-Q331 WeakPolarHBondContact O-CG 3.31Å; S327-Q331 PolarHBondContact O-N 3.38Å; M328-Q331 PolarHBondContact O-N 3.07Å; Q331-H334 PolarHBondContact O-N 2.8Å; Q331-H335 VanDerWaalsContact O-CB 3.32Å; Q331-H335 WeakPolarHBondContact O-CB 3.46Å; Q331-H335 PolarHBondContact O-N 3.24Å
332L98.8Very high98.2Very high0 Ų027.9 Ų27.90%014%0.138CC..Hα-helixtrans-67.3-40.7-179.1-175.658.2000113F206 I218 T223 H226 I227 M328 N329 H334 H335 T336 V342 I348F206-L332 HydrophobicContact CE2-CD2 4.49Å; F206-L332 HydrophobicContact CZ-CB 4.11Å; I218-L332 HydrophobicContact CD1-CD1 4.28Å; I218-L332 HydrophobicContact CD1-CD2 4.28Å; I218-L332 HydrophobicContact CD1-CG 4.27Å; T223-L332 HydrophobicContact CG2-CB 4.11Å; T223-L332 HydrophobicContact CG2-CD2 4.26Å; T223-L332 HydrophobicContact CG2-CG 4.22Å; H226-L332 HydrophobicContact CB-CD2 3.67Å; I227-L332 HydrophobicContact CD1-CD2 4.4Å; I227-L332 HydrophobicContact CG1-CD2 3.96Å; M328-L332 WeakPolarHBondContact O-CB 3.47Å; M328-L332 PolarHBondContact O-N 3.16Å; N329-L332 PolarHBondContact O-N 3.36Å; L332-H334 VanDerWaalsContact C-N 3.33Å; L332-H334 PolarHBondContact O-N 2.87Å; L332-H335 PolarHBondContact O-N 2.93Å; L332-T336 HydrophobicContact CD1-CG2 4.18Å; L332-T336 PolarHBondContact O-N 3.15Å; L332-T336 PolarHBondContact O-OG1 3.44Å; L332-T336 VanDerWaalsContact O-OG1 3.05Å; L332-V342 HydrophobicContact CD1-CG1 4.13Å; L332-V342 HydrophobicContact CD1-CG2 4.06Å; L332-I348 HydrophobicContact CD1-CD1 3.89Å
333A98.5Very high98.2Very high2 Ų226.8 Ų26.82%0.01714%0.136CC..Hα-helixtrans-61.2-44175.400000111.2I220 T223 N329 Q330 I337I220-A333 HydrophobicContact CB-CB 4.13Å; I220-A333 HydrophobicContact CD1-CB 3.7Å; T223-A333 HydrophobicContact CG2-CB 4.03Å; N329-A333 WeakPolarHBondContact O-CB 3.31Å; N329-A333 PolarHBondContact O-N 3.19Å; Q330-A333 PolarHBondContact O-N 3.04Å; A333-I337 WeakPolarHBondContact O-CB 3.46Å; A333-I337 PolarHBondContact O-N 3.01Å; A333-I337 VanDerWaalsContact O-N 3.16Å
334H98.6Very high98.3Very high53 Ų5326.5 Ų26.525%0.24514%0.14CC..Hα-helixtrans-65.2-44.3175.8-170.268.8000112.4P158 Y288 L289 Q330 Q331 L332 T336 I337P158-H334 HydrophobicContact CG-CB 3.38Å; P158-H334 VanDerWaalsContact CG-CG 3.48Å; P158-H334 PolarHBondContact O-CD2 2.87Å; Y288-H334 HydrophobicContact CE2-CB 4.37Å; Y288-H334 AromaticContact CE2-ND1 3.76Å; Y288-H334 AromaticContact CZ-ND1 3.71Å; Y288-H334 PolarHBondContact OH-CE1 2.89Å; Y288-H334 PolarHBondContact OH-ND1 2.82Å; L289-H334 HydrophobicContact CD2-CB 4.17Å; Q330-H334 VanDerWaalsContact O-CB 3.28Å; Q330-H334 WeakPolarHBondContact O-CB 3.42Å; Q330-H334 PolarHBondContact O-N 3.05Å; Q331-H334 PolarHBondContact O-N 2.8Å; L332-H334 VanDerWaalsContact C-N 3.33Å; L332-H334 PolarHBondContact O-N 2.87Å; H334-T336 PolarHBondContact O-N 2.79Å; H334-I337 WeakPolarHBondContact O-CG2 3.28Å; H334-I337 PolarHBondContact O-N 2.91Å
335H98.8Very high98.4Very high29 Ų2926.2 Ų26.213%0.13414%0.138CC..Hα-helixtrans-59.1-35.7-177.8-161.3-179.8000112.2T126 F128 Q331 L332 C340T126-H335 PolarHBondContact OG1-CE1 3.46Å; T126-H335 PolarHBondContact OG1-NE2 2.87Å; F128-H335 HydrophobicContact CZ-CB 4.16Å; Q331-H335 VanDerWaalsContact O-CB 3.32Å; Q331-H335 WeakPolarHBondContact O-CB 3.46Å; Q331-H335 PolarHBondContact O-N 3.24Å; L332-H335 PolarHBondContact O-N 2.93Å; H335-C340 WeakPolarHBondContact O-CB 3.2Å
336T98.8Very high98.5Very high0 Ų026.2 Ų26.20%014%0.138CC..Hα-helixtrans-98.1-3.2-176.562.10000114P217 I218 L332 H334 N338 G339 V342P217-T336 WeakPolarHBondContact CA-O 3.26Å; P217-T336 WeakPolarHBondContact CB-O 3.27Å; I218-T336 HydrophobicContact CD1-CG2 3.97Å; I218-T336 HydrophobicContact CG1-CG2 4.18Å; I218-T336 PolarHBondContact N-OG1 3.47Å; L332-T336 HydrophobicContact CD1-CG2 4.18Å; L332-T336 PolarHBondContact O-N 3.15Å; L332-T336 PolarHBondContact O-OG1 3.44Å; L332-T336 VanDerWaalsContact O-OG1 3.05Å; H334-T336 PolarHBondContact O-N 2.79Å; T336-N338 PolarHBondContact O-N 3.33Å; T336-N338 VanDerWaalsContact O-N 3.17Å; T336-G339 WeakPolarHBondContact O-CA 3.34Å; T336-G339 PolarHBondContact O-N 3.26Å; T336-V342 HydrophobicContact CG2-CG1 4Å; T336-V342 HydrophobicContact CG2-CG2 4.18Å
337I98.5Very high98.6Very high78 Ų7826.1 Ų26.140%0.414%0.138SC..THydrogen-bonded Turntrans-62.8-28.6-172.1-161.958000113.5Y288 A333 H334 G339Y288-I337 HydrophobicContact CD2-CB 4.27Å; Y288-I337 HydrophobicContact CD2-CD1 3.75Å; Y288-I337 HydrophobicContact CD2-CG1 3.76Å; Y288-I337 HydrophobicContact CE2-CB 4.18Å; Y288-I337 HydrophobicContact CE2-CD1 4.46Å; Y288-I337 HydrophobicContact CE2-CG1 3.99Å; Y288-I337 HydrophobicContact CE2-CG2 4.36Å; Y288-I337 HydrophobicContact CG-CD1 4.13Å; Y288-I337 HydrophobicContact CG-CG1 4.33Å; A333-I337 WeakPolarHBondContact O-CB 3.46Å; A333-I337 PolarHBondContact O-N 3.01Å; A333-I337 VanDerWaalsContact O-N 3.16Å; H334-I337 WeakPolarHBondContact O-CG2 3.28Å; H334-I337 PolarHBondContact O-N 2.91Å; I337-G339 VanDerWaalsContact C-N 3.26Å
338N98.5Very high98.6Very high132 Ų13225.8 Ų25.871%0.70614%0.136SC*.THydrogen-bonded Turntrans-86.25.4176.571.5-11.7000113.2T336 C340T336-N338 PolarHBondContact O-N 3.33Å; T336-N338 VanDerWaalsContact O-N 3.17Å; N338-C340 VanDerWaalsContact OD1-CB 3.23Å; N338-C340 WeakPolarHBondContact OD1-CB 2.92Å; N338-C340 PolarHBondContact OD1-N 2.96Å
339G98.5Very high98.7Very high4 Ų425.7 Ų25.74%0.04114%0.135CC..  trans87.76.4-175.500000114.7G215 T336 I337 N341G215-G339 PolarHBondContact N-O 3.45Å; T336-G339 WeakPolarHBondContact O-CA 3.34Å; T336-G339 PolarHBondContact O-N 3.26Å; I337-G339 VanDerWaalsContact C-N 3.26Å; G339-N341 PolarHBondContact O-N 2.92Å
340C98.8Very high98.7Very high36 Ų3625.2 Ų25.224%0.24313%0.133CC..PPolyproline II helixtrans-53.4131.4171.1-174.90000110.2N212 H335 N338N212-C340 PolarHBondContact ND2-O 3.42Å; H335-C340 WeakPolarHBondContact O-CB 3.2Å; N338-C340 VanDerWaalsContact OD1-CB 3.23Å; N338-C340 WeakPolarHBondContact OD1-CB 2.92Å; N338-C340 PolarHBondContact OD1-N 2.96Å
341N98.6Very high98.7Very high52 Ų5225.2 Ų25.228%0.27813%0.133SC..PPolyproline II helixtrans-89.8121.8174.460.3-41.9000110.9N212 L214 G339N212-N341 VanDerWaalsContact O-CB 3.29Å; N212-N341 WeakPolarHBondContact O-CB 3.49Å; N212-N341 WeakPolarHBondContact OD1-CA 3.22Å; L214-N341 HydrophobicContact CB-CB 4.22Å; L214-N341 HydrophobicContact CD1-CB 4.46Å; L214-N341 WeakPolarHBondContact CD1-OD1 3.35Å; G339-N341 PolarHBondContact O-N 2.92Å
342V98.8Very high98.7Very high2 Ų225.2 Ų25.21%0.01213%0.133CC..PPolyproline II helixtrans-89.5155.6162.9-62.90000110.1V208 G211 N212 I218 L332 T336 D346V208-V342 HydrophobicContact CG1-CB 4.04Å; V208-V342 HydrophobicContact CG1-CG2 3.73Å; V208-V342 HydrophobicContact CG2-CB 4.25Å; V208-V342 HydrophobicContact CG2-CG2 4.45Å; G211-V342 WeakPolarHBondContact CA-O 3.41Å; N212-V342 PolarHBondContact N-O 2.86Å; N212-V342 WeakPolarHBondContact OD1-CG2 3.4Å; N212-V342 PolarHBondContact OD1-N 3.12Å; I218-V342 HydrophobicContact CD1-CG2 3.86Å; L332-V342 HydrophobicContact CD1-CG1 4.13Å; L332-V342 HydrophobicContact CD1-CG2 4.06Å; T336-V342 HydrophobicContact CG2-CG1 4Å; T336-V342 HydrophobicContact CG2-CG2 4.18Å; V342-D346 WeakPolarHBondContact CA-OD2 3.28Å
343K98.8Very high98.7Very high90 Ų9025.2 Ų25.239%0.39113%0.133SC..  trans-128.7157.2-174.9-62.1170-161.6132.20111.5D124 V208 G345 D346D124-K343 IonicContact OD2-NZ 2.79Å; D124-K343 PolarHBondContact OD2-NZ 2.84Å; V208-K343 WeakPolarHBondContact CB-O 3.38Å; V208-K343 WeakPolarHBondContact CG1-O 3.46Å; K343-G345 PolarHBondContact O-N 3.3Å; K343-G345 VanDerWaalsContact O-N 3.15Å; K343-D346 PolarHBondContact N-OD2 2.73Å; K343-D346 WeakPolarHBondContact O-CB 3.29Å; K343-D346 PolarHBondContact O-N 3.23Å
344P98.9Very high98.7Very high39 Ų3925.1 Ų25.125%0.25313%0.132SC..THydrogen-bonded Turntrans-57.1119.1174.3-21.329.9000113N69 L72 A73 V208 G209N69-P344 PolarHBondContact ND2-O 3.4Å; L72-P344 HydrophobicContact CB-CB 4.08Å; A73-P344 HydrophobicContact CB-CB 4.05Å; A73-P344 HydrophobicContact CB-CG 3.71Å; V208-P344 WeakPolarHBondContact O-CA 3.35Å; G209-P344 WeakPolarHBondContact O-CA 3.34Å; G209-P344 VanDerWaalsContact O-CB 3.25Å; G209-P344 WeakPolarHBondContact O-CB 3.18Å; G209-P344 VanDerWaalsContact O-CG 3.24Å; G209-P344 WeakPolarHBondContact O-CG 3.5Å
345G98.8Very high98.7Very high0 Ų022.7 Ų22.70%012%0.122CC..THydrogen-bonded Turntrans97.2-3.9-177.300000115.3L207 V208 K343L207-G345 WeakPolarHBondContact CD2-O 3.36Å; V208-G345 PolarHBondContact O-N 3.38Å; K343-G345 PolarHBondContact O-N 3.3Å; K343-G345 VanDerWaalsContact O-N 3.15Å
346D98.9Very high98.6Very high6 Ų624.3 Ų24.33%0.03214%0.135CC..  trans-58.8143.3168.3-71.9-9.6000109.9D124 L207 V208 V342 K343D124-D346 PolarHBondContact N-OD1 3.01Å; D124-D346 WeakPolarHBondContact O-CA 3.28Å; L207-D346 WeakPolarHBondContact CA-O 3.45Å; V208-D346 HydrophobicContact CB-CB 4.14Å; V208-D346 HydrophobicContact CG2-CB 3.96Å; V208-D346 PolarHBondContact N-O 2.97Å; V342-D346 WeakPolarHBondContact CA-OD2 3.28Å; K343-D346 PolarHBondContact N-OD2 2.73Å; K343-D346 WeakPolarHBondContact O-CB 3.29Å; K343-D346 PolarHBondContact O-N 3.23Å
347L99Very high98.5Very high0 Ų028.8 Ų28.80%016%0.159CC..EExtended strand (participates in β ladder)trans-111.2125.8-175.7-168.972.7000109.4I122 D124 Y125 T126 I168 A205 L207 V231 L233 I261I122-L347 HydrophobicContact CD1-CB 4.32Å; I122-L347 HydrophobicContact CD1-CD2 4.04Å; I122-L347 HydrophobicContact CG1-CB 4.4Å; I122-L347 HydrophobicContact CG2-CB 3.76Å; D124-L347 PolarHBondContact O-N 2.6Å; Y125-L347 WeakPolarHBondContact CA-O 3.46Å; Y125-L347 HydrophobicContact CD2-CB 4.42Å; Y125-L347 HydrophobicContact CD2-CD2 4.4Å; T126-L347 PolarHBondContact N-O 3.02Å; I168-L347 HydrophobicContact CD1-CD2 3.99Å; A205-L347 HydrophobicContact CB-CD1 3.66Å; A205-L347 HydrophobicContact CB-CD2 4.25Å; A205-L347 HydrophobicContact CB-CG 3.81Å; L207-L347 HydrophobicContact CD2-CD1 3.78Å; L207-L347 HydrophobicContact CG-CD1 4.12Å; V231-L347 HydrophobicContact CG2-CD1 4.1Å; L233-L347 HydrophobicContact CD1-CD2 3.81Å; I261-L347 HydrophobicContact CG2-CD2 3.97Å
348I98.9Very high98.3Very high2 Ų231.6 Ų31.61%0.0117%0.17CC..EExtended strand (participates in β ladder)trans-121.7113.4178.8-63176.4000108.6T126 F128 A205 F206 V208 L332T126-I348 WeakPolarHBondContact O-CA 3.34Å; F128-I348 HydrophobicContact CD2-CG2 3.52Å; F128-I348 HydrophobicContact CE2-CG2 3.37Å; A205-I348 CarbonylContact C-O 3.45Å; A205-I348 WeakPolarHBondContact CA-O 3.5Å; A205-I348 WeakPolarHBondContact CB-O 3.37Å; F206-I348 HydrophobicContact CD1-CB 4.03Å; F206-I348 HydrophobicContact CD1-CG2 4.2Å; F206-I348 WeakPolarHBondContact CD1-O 3.34Å; F206-I348 HydrophobicContact CD2-CB 4.29Å; F206-I348 HydrophobicContact CE1-CB 3.51Å; F206-I348 HydrophobicContact CE1-CD1 4.5Å; F206-I348 HydrophobicContact CE1-CG2 3.35Å; F206-I348 HydrophobicContact CE2-CB 3.79Å; F206-I348 HydrophobicContact CE2-CD1 3.65Å; F206-I348 HydrophobicContact CE2-CG1 4.12Å; F206-I348 HydrophobicContact CE2-CG2 4.36Å; F206-I348 HydrophobicContact CG-CB 4.41Å; F206-I348 HydrophobicContact CZ-CB 3.39Å; F206-I348 HydrophobicContact CZ-CD1 3.53Å; F206-I348 HydrophobicContact CZ-CG1 3.98Å; F206-I348 HydrophobicContact CZ-CG2 3.46Å; F206-I348 VanDerWaalsContact CZ-CG2 3.46Å; F206-I348 PolarHBondContact N-O 3.23Å; F206-I348 PolarHBondContact O-N 3.04Å; V208-I348 HydrophobicContact CG2-CD1 3.93Å; V208-I348 HydrophobicContact CG2-CG1 4.42Å; L332-I348 HydrophobicContact CD1-CD1 3.89Å
349A98.9Very high98.2Very high0 Ų029.8 Ų29.80%016%0.16CC..EExtended strand (participates in β ladder)trans-93.6155.8-178.500000112.2Y125 T126 F128 E203 T204 A205 L233 G351Y125-A349 HydrophobicContact CE2-CB 3.68Å; T126-A349 PolarHBondContact O-N 2.74Å; F128-A349 WeakPolarHBondContact CB-O 3.42Å; F128-A349 WeakPolarHBondContact CD2-O 3.18Å; F128-A349 PolarHBondContact N-O 2.78Å; F128-A349 VanDerWaalsContact N-O 3.16Å; E203-A349 VanDerWaalsContact OE2-CB 3.28Å; E203-A349 WeakPolarHBondContact OE2-CB 3.36Å; T204-A349 CarbonylContact O-C 3.56Å; T204-A349 WeakPolarHBondContact O-CA 3.43Å; A205-A349 HydrophobicContact CB-CB 3.97Å; L233-A349 HydrophobicContact CD1-CB 3.9Å; L233-A349 HydrophobicContact CD2-CB 4.28Å; A349-G351 VanDerWaalsContact C-N 3.34Å
350S98.9Very high98.2Very high2 Ų229.7 Ų29.71%0.01416%0.159CC..  trans-75.3-22.5-173.855.50000114S130 T204 V353S130-S350 VanDerWaalsContact CB-O 3.22Å; S130-S350 WeakPolarHBondContact CB-O 3.48Å; S130-S350 PolarHBondContact N-O 3.31Å; S130-S350 PolarHBondContact OG-O 3.46Å; T204-S350 PolarHBondContact N-OG 2.85Å; T204-S350 PolarHBondContact O-N 2.71Å; T204-S350 PolarHBondContact O-OG 2.9Å; S350-V353 WeakPolarHBondContact OG-CG2 2.98Å
351G98.5Very high98.2Very high1 Ų128.8 Ų28.81%0.0115%0.152CC..  trans76.6160.6-151.300000111.5D127 F128 E203 A349 V353D127-G351 PolarHBondContact OD1-N 2.77Å; F128-G351 WeakPolarHBondContact O-CA 3.47Å; F128-G351 PolarHBondContact O-N 2.88Å; E203-G351 VanDerWaalsContact OE1-C 3.3Å; E203-G351 WeakPolarHBondContact OE1-CA 3.08Å; E203-G351 VanDerWaalsContact OE2-CA 3.22Å; E203-G351 WeakPolarHBondContact OE2-CA 3.45Å; E203-G351 PolarHBondContact OE2-N 3.21Å; A349-G351 VanDerWaalsContact C-N 3.34Å; G351-V353 PolarHBondContact O-N 3.11Å
352T98.7Very high98.2Very high1 Ų126.3 Ų26.31%0.00614%0.139CC..  trans-45.6123.8178.9-64.40000112.7S131 H134 E201 L202 E203 S354 G362 C363S131-T352 WeakPolarHBondContact CB-O 3.43Å; H134-T352 WeakPolarHBondContact ND1-CG2 3.29Å; E201-T352 VanDerWaalsContact CB-OG1 3.31Å; E201-T352 WeakPolarHBondContact CB-OG1 3.12Å; E201-T352 VanDerWaalsContact CG-OG1 3.22Å; E201-T352 WeakPolarHBondContact CG-OG1 3.27Å; E201-T352 PolarHBondContact OE2-OG1 2.99Å; L202-T352 CarbonylContact O-C 3.49Å; L202-T352 WeakPolarHBondContact O-CA 3.29Å; E203-T352 PolarHBondContact OE1-N 2.87Å; E203-T352 VanDerWaalsContact OE1-N 3.11Å; T352-S354 PolarHBondContact O-N 3.14Å; T352-G362 VanDerWaalsContact CG2-C 3.48Å; T352-G362 WeakPolarHBondContact CG2-O 3.03Å; T352-C363 HydrophobicContact CG2-CB 4.31Å
353V98.7Very high98.1Very high0 Ų026.2 Ų26.20%014%0.138CC..  trans-93.282.4-176.6-1710000111.2L202 L301 S319 L324 S350 G351L202-V353 HydrophobicContact CG-CB 4.45Å; L202-V353 PolarHBondContact O-N 3.09Å; L301-V353 HydrophobicContact CD1-CB 4.08Å; L301-V353 HydrophobicContact CD1-CG1 3.85Å; L301-V353 HydrophobicContact CD1-CG2 4.24Å; S319-V353 PolarHBondContact OG-O 2.97Å; L324-V353 HydrophobicContact CD1-CG2 4.48Å; L324-V353 HydrophobicContact CD2-CG2 4.09Å; L324-V353 HydrophobicContact CG-CG1 4.43Å; L324-V353 HydrophobicContact CG-CG2 4.36Å; S350-V353 WeakPolarHBondContact OG-CG2 2.98Å; G351-V353 PolarHBondContact O-N 3.11Å
354S98.6Very high98.1Very high0 Ų022 Ų220%012%0.12CC..  trans-89143.9169.5-62.80000112.4S131 Y133 T352 S360 G362 E366S131-S354 PolarHBondContact OG-N 2.76Å; S131-S354 PolarHBondContact OG-O 3.39Å; Y133-S354 VanDerWaalsContact CD2-O 3.32Å; Y133-S354 WeakPolarHBondContact CD2-O 3.33Å; T352-S354 PolarHBondContact O-N 3.14Å; S354-S360 CarbonylContact C-O 3.6Å; S354-S360 WeakPolarHBondContact CA-O 3.33Å; S354-G362 PolarHBondContact OG-N 3.01Å; S354-E366 WeakPolarHBondContact CB-OE1 3.46Å; S354-E366 PolarHBondContact OG-OE1 3.03Å; S354-E366 PolarHBondContact OG-OE2 3.01Å
355G97.7Very high98.1Very high2 Ų220.3 Ų20.32%0.02111%0.109CC..  trans-104.5-172.2171.200000113.8N357 S360G355-N357 PolarHBondContact O-N 3.38Å; G355-S360 WeakPolarHBondContact CA-OG 3.36Å; G355-S360 PolarHBondContact N-O 3.38Å; G355-S360 PolarHBondContact O-OG 2.71Å
356P96.5Very high98Very high63 Ų6320.4 Ų20.441%0.40911%0.109SC..SBendtrans-75.4-18.4-174.828.8-34.9000115Y133 Y323Y133-P356 HydrophobicContact CD1-CB 4.48Å; Y133-P356 HydrophobicContact CE1-CB 3.78Å; Y133-P356 HydrophobicContact CE2-CB 4.45Å; Y323-P356 HydrophobicContact CE1-CG 4.26Å
357N96.7Very high98Very high94 Ų9421.3 Ų21.350%0.50311%0.114SC..SBendtrans-106.7155.4-172.3-59-26.2000111.3G355 D359 S360G355-N357 PolarHBondContact O-N 3.38Å; N357-D359 WeakPolarHBondContact CB-OD1 3.49Å; N357-D359 PolarHBondContact O-N 2.78Å; N357-S360 PolarHBondContact N-OG 2.92Å; N357-S360 PolarHBondContact O-N 2.98Å; N357-S360 PolarHBondContact O-OG 2.84Å
358E95.3Very high97.9Very high138 Ų13821.3 Ų21.365%0.64511%0.114SC*.G310 helixtrans-59-31.8-179.9-68.1-165.9141.600113.4S360 L361 L367 K373E358-S360 PolarHBondContact O-N 3.08Å; E358-L361 WeakPolarHBondContact O-CD1 3.46Å; E358-L361 WeakPolarHBondContact O-CG 3.44Å; E358-L367 WeakPolarHBondContact O-CD2 3.21Å; E358-K373 IonicContact OE1-NZ 2.82Å; E358-K373 PolarHBondContact OE1-NZ 3.45Å
359D95.4Very high97.8Very high93 Ų9325 Ų2550%0.49713%0.128SC..G310 helixtrans-80.8-2.7177.867.2-25.9000113.7C317 R318 N357C317-D359 CarbonylContact C-O 3.59Å; C317-D359 WeakPolarHBondContact CA-O 3.49Å; R318-D359 PolarHBondContact N-O 3.34Å; N357-D359 WeakPolarHBondContact CB-OD1 3.49Å; N357-D359 PolarHBondContact O-N 2.78Å
360S98.2Very high97.6Very high3 Ų330.4 Ų30.42%0.02115%0.148CC..G310 helixtrans-109.911.9179.967.90000113.6R318 S319 S354 G355 N357 E358R318-S360 VanDerWaalsContact O-CA 3.26Å; R318-S360 WeakPolarHBondContact O-CA 3.45Å; R318-S360 WeakPolarHBondContact O-CB 3.35Å; S319-S360 PolarHBondContact OG-O 2.95Å; S354-S360 CarbonylContact C-O 3.6Å; S354-S360 WeakPolarHBondContact CA-O 3.33Å; G355-S360 WeakPolarHBondContact CA-OG 3.36Å; G355-S360 PolarHBondContact N-O 3.38Å; G355-S360 PolarHBondContact O-OG 2.71Å; N357-S360 PolarHBondContact N-OG 2.92Å; N357-S360 PolarHBondContact O-N 2.98Å; N357-S360 PolarHBondContact O-OG 2.84Å; E358-S360 PolarHBondContact O-N 3.08Å
361L98.5Very high97.4Very high17 Ų1731 Ų319%0.08915%0.154CC..  trans-75.7129.6179.4-61.6176.6000111N137 C317 E358 C363 E366 L367N137-L361 WeakPolarHBondContact ND2-CD2 3.33Å; C317-L361 WeakPolarHBondContact CB-O 3.16Å; C317-L361 PolarHBondContact SG-O 2.8Å; E358-L361 WeakPolarHBondContact O-CD1 3.46Å; E358-L361 WeakPolarHBondContact O-CG 3.44Å; L361-C363 PolarHBondContact O-N 3.45Å; L361-E366 HydrophobicContact CB-CB 3.78Å; L361-E366 HydrophobicContact CD1-CB 4.07Å; L361-E366 HydrophobicContact CD2-CB 4.31Å; L361-E366 HydrophobicContact CG-CB 4.27Å; L361-L367 HydrophobicContact CB-CD2 3.83Å; L361-L367 HydrophobicContact CB-CG 3.98Å
362G98.5Very high97.3Very high0 Ų036 Ų360%018%0.184CC..SBendtrans-86.23.4-165.200000116.2F200 L202 T352 S354F200-G362 WeakPolarHBondContact CE2-O 3.18Å; L202-G362 WeakPolarHBondContact CB-O 3.26Å; L202-G362 PolarHBondContact N-O 3.22Å; T352-G362 VanDerWaalsContact CG2-C 3.48Å; T352-G362 WeakPolarHBondContact CG2-O 3.03Å; S354-G362 PolarHBondContact OG-N 3.01Å
363C98.7Very high97.2Very high0 Ų040.2 Ų40.20%020%0.203CC..BIsolated β-bridgetrans-151.9163.5175.665.40000112.4F200 E201 T352 L361 L365 E366 L367F200-C363 WeakPolarHBondContact O-CA 3.4Å; F200-C363 WeakPolarHBondContact O-CB 3.2Å; E201-C363 HydrophobicContact CG-CB 4.32Å; T352-C363 HydrophobicContact CG2-CB 4.31Å; L361-C363 PolarHBondContact O-N 3.45Å; C363-L365 VanDerWaalsContact C-N 3.3Å; C363-L365 PolarHBondContact O-N 2.76Å; C363-E366 PolarHBondContact O-N 3.35Å; C363-E366 VanDerWaalsContact SG-CG 3.53Å; C363-E366 PolarHBondContact SG-N 3.14Å; C363-E366 PolarHBondContact SG-OE2 3.1Å; C363-L367 WeakPolarHBondContact O-CG 3.24Å; C363-L367 PolarHBondContact O-N 3.21Å
364M98.2Very high97Very high1 Ų143.5 Ų43.51%0.00523%0.226CC..Hα-helixtrans-66.5-32.5176-57.5-74.9-75.500111.9D199 F200 I316 E366 L367 S368 I375 R383 F385 L386D199-M364 VanDerWaalsContact OD1-CA 3.31Å; D199-M364 WeakPolarHBondContact OD1-CA 3.35Å; D199-M364 WeakPolarHBondContact OD1-CB 3.41Å; D199-M364 WeakPolarHBondContact OD1-CG 3.36Å; D199-M364 PolarHBondContact OD1-N 3.5Å; F200-M364 HydrophobicContact CD1-CG 3.65Å; F200-M364 HydrophobicContact CD1-SD 4.18Å; F200-M364 HydrophobicContact CE1-CG 3.58Å; F200-M364 HydrophobicContact CE1-SD 3.7Å; I316-M364 HydrophobicContact CD1-SD 3.91Å; M364-E366 PolarHBondContact O-N 3.49Å; M364-L367 PolarHBondContact O-N 3.13Å; M364-L367 HydrophobicContact SD-CD1 4.47Å; M364-S368 WeakPolarHBondContact O-CB 3.4Å; M364-S368 PolarHBondContact O-N 2.78Å; M364-S368 PolarHBondContact O-OG 3.32Å; M364-I375 HydrophobicContact CE-CD1 3.43Å; M364-I375 VanDerWaalsContact CE-CD1 3.43Å; M364-I375 HydrophobicContact SD-CD1 3.46Å; M364-I375 WeakPolarHBondContact SD-CD1 3.46Å; M364-R383 HydrophobicContact CE-CB 3.47Å; M364-R383 VanDerWaalsContact CE-CB 3.47Å; M364-R383 HydrophobicContact CE-CG 4.39Å; M364-F385 HydrophobicContact CB-CD1 4.2Å; M364-F385 HydrophobicContact CB-CE1 4.49Å; M364-L386 HydrophobicContact CE-CD2 4.34Å; M364-L386 HydrophobicContact CG-CD2 4.21Å; M364-L386 HydrophobicContact SD-CD2 4.41Å
365L97.9Very high96.9Very high4 Ų444.5 Ų44.52%0.02123%0.231CC..Hα-helixtrans-52.7-45.9173.1174.867.6000110.8M141 F142 D199 C363 W369 R370 F385M141-L365 WeakPolarHBondContact CE-O 3.32Å; M141-L365 HydrophobicContact SD-CD1 4.04Å; M141-L365 HydrophobicContact SD-CG 3.95Å; F142-L365 HydrophobicContact CE2-CD2 4.13Å; F142-L365 HydrophobicContact CZ-CD2 4.08Å; D199-L365 WeakPolarHBondContact OD2-CB 3.42Å; D199-L365 PolarHBondContact OD2-N 3.15Å; C363-L365 VanDerWaalsContact C-N 3.3Å; C363-L365 PolarHBondContact O-N 2.76Å; L365-W369 WeakPolarHBondContact O-CA 3.5Å; L365-W369 PolarHBondContact O-N 2.85Å; L365-R370 HydrophobicContact CD1-CB 4.17Å; L365-R370 HydrophobicContact CD1-CG 4.12Å; L365-R370 PolarHBondContact O-N 3.43Å; L365-F385 HydrophobicContact CB-CE1 4.35Å; L365-F385 HydrophobicContact CD1-CZ 4.34Å
366E98.1Very high96.8Very high1 Ų155.1 Ų55.11%0.00527%0.27CS..Hα-helixtrans-72.9-52.7177-71.8173.396.200112.8H134 N137 S354 L361 C363 M364 S368 W369H134-E366 IonicContact CE1-OE2 2.78Å; H134-E366 IonicContact CG-OE2 2.76Å; H134-E366 IonicContact ND1-OE1 3.19Å; H134-E366 IonicContact ND1-OE2 3.63Å; H134-E366 PolarHBondContact ND1-OE2 3.32Å; N137-E366 HydrophobicContact CB-CG 4Å; N137-E366 PolarHBondContact ND2-OE1 2.98Å; S354-E366 WeakPolarHBondContact CB-OE1 3.46Å; S354-E366 PolarHBondContact OG-OE1 3.03Å; S354-E366 PolarHBondContact OG-OE2 3.01Å; L361-E366 HydrophobicContact CB-CB 3.78Å; L361-E366 HydrophobicContact CD1-CB 4.07Å; L361-E366 HydrophobicContact CD2-CB 4.31Å; L361-E366 HydrophobicContact CG-CB 4.27Å; C363-E366 PolarHBondContact O-N 3.35Å; C363-E366 VanDerWaalsContact SG-CG 3.53Å; C363-E366 PolarHBondContact SG-N 3.14Å; C363-E366 PolarHBondContact SG-OE2 3.1Å; M364-E366 PolarHBondContact O-N 3.49Å; E366-S368 VanDerWaalsContact C-N 3.3Å; E366-S368 PolarHBondContact O-N 2.66Å; E366-W369 PolarHBondContact O-N 3.22Å
367L98Very high96.7Very high25 Ų2552.4 Ų52.413%0.13125%0.252CS..Hα-helixtrans-58.7-40.1-177.4-71.6165.9000112.6F200 I316 E358 L361 C363 M364 W369 I375F200-L367 HydrophobicContact CE1-CD1 4.28Å; F200-L367 HydrophobicContact CZ-CD1 4.01Å; I316-L367 HydrophobicContact CB-CD1 4.4Å; I316-L367 HydrophobicContact CD1-CD1 4.49Å; I316-L367 WeakPolarHBondContact O-CD2 3.46Å; E358-L367 WeakPolarHBondContact O-CD2 3.21Å; L361-L367 HydrophobicContact CB-CD2 3.83Å; L361-L367 HydrophobicContact CB-CG 3.98Å; C363-L367 WeakPolarHBondContact O-CG 3.24Å; C363-L367 PolarHBondContact O-N 3.21Å; M364-L367 PolarHBondContact O-N 3.13Å; M364-L367 HydrophobicContact SD-CD1 4.47Å; L367-W369 VanDerWaalsContact C-N 3.34Å; L367-I375 HydrophobicContact CB-CD1 3.47Å; L367-I375 VanDerWaalsContact CB-CD1 3.47Å; L367-I375 HydrophobicContact CB-CG1 3.92Å; L367-I375 HydrophobicContact CD1-CD1 4.29Å
368S97.7Very high96.1Very high0 Ų049.7 Ų49.70%025%0.246CC..THydrogen-bonded Turntrans-87.5-3177.275.30000113.3M364 E366 R370 G371 T372 K373 K384M364-S368 WeakPolarHBondContact O-CB 3.4Å; M364-S368 PolarHBondContact O-N 2.78Å; M364-S368 PolarHBondContact O-OG 3.32Å; E366-S368 VanDerWaalsContact C-N 3.3Å; E366-S368 PolarHBondContact O-N 2.66Å; S368-R370 PolarHBondContact O-N 3.48Å; S368-G371 CarbonylContact O-C 3.49Å; S368-G371 WeakPolarHBondContact O-CA 3.31Å; S368-G371 PolarHBondContact O-N 3.3Å; S368-G371 VanDerWaalsContact O-N 3.1Å; S368-G371 PolarHBondContact OG-N 3.22Å; S368-T372 PolarHBondContact O-N 3.21Å; S368-K373 WeakPolarHBondContact CB-O 3.48Å; S368-K373 PolarHBondContact O-N 3.04Å; S368-K384 VanDerWaalsContact CB-O 3.27Å; S368-K384 WeakPolarHBondContact CB-O 3.46Å; S368-K384 PolarHBondContact OG-O 2.92Å
369W96.3Very high95.6Very high81 Ų8150.3 Ų50.331%0.30725%0.254SS..THydrogen-bonded Turntrans47.361.6-174-158.5-101.5000112.2N137 R140 M141 L365 E366 L367 G371 T372 K373N137-W369 HydrophobicContact CB-CZ3 4.36Å; R140-W369 HydrophobicContact CB-CH2 4.15Å; R140-W369 HydrophobicContact CB-CZ2 4.22Å; M141-W369 HydrophobicContact CE-CB 4.44Å; M141-W369 HydrophobicContact CE-CD2 3.54Å; M141-W369 HydrophobicContact CE-CE3 3.17Å; M141-W369 HydrophobicContact CE-CG 4.13Å; M141-W369 HydrophobicContact CE-CH2 4.07Å; M141-W369 HydrophobicContact CE-CZ2 4.4Å; M141-W369 HydrophobicContact CE-CZ3 3.46Å; M141-W369 VanDerWaalsContact CE-CZ3 3.46Å; M141-W369 HydrophobicContact CG-CD2 4.47Å; M141-W369 HydrophobicContact CG-CH2 4.31Å; M141-W369 HydrophobicContact CG-CZ2 4.13Å; L365-W369 WeakPolarHBondContact O-CA 3.5Å; L365-W369 PolarHBondContact O-N 2.85Å; E366-W369 PolarHBondContact O-N 3.22Å; L367-W369 VanDerWaalsContact C-N 3.34Å; W369-G371 VanDerWaalsContact C-N 3.27Å; W369-G371 PolarHBondContact O-N 2.87Å; W369-T372 WeakPolarHBondContact O-CB 3.12Å; W369-T372 WeakPolarHBondContact O-CG2 3.01Å; W369-T372 PolarHBondContact O-N 2.97Å; W369-T372 VanDerWaalsContact O-N 3.14Å; W369-T372 PolarHBondContact O-OG1 2.96Å; W369-K373 HydrophobicContact CB-CD 3.98Å; W369-K373 HydrophobicContact CB-CG 4.04Å
370R94.4Very high95.3Very high113 Ų11349.9 Ų49.943%0.42627%0.272SS..THydrogen-bonded Turntrans55.540-174.9-159.4177.5176-166.3-2.9112.8M141 L365 S368 T372M141-R370 PolarHBondContact O-NH1 3.3Å; M141-R370 HydrophobicContact SD-CB 4.11Å; L365-R370 HydrophobicContact CD1-CB 4.17Å; L365-R370 HydrophobicContact CD1-CG 4.12Å; L365-R370 PolarHBondContact O-N 3.43Å; S368-R370 PolarHBondContact O-N 3.48Å; R370-T372 VanDerWaalsContact C-N 3.26Å; R370-T372 PolarHBondContact O-N 2.69Å
371G95.4Very high95.1Very high13 Ų1351.7 Ų51.713%0.13428%0.282CS..THydrogen-bonded Turntrans72.112179.900000115.2S368 W369 K384S368-G371 CarbonylContact O-C 3.49Å; S368-G371 WeakPolarHBondContact O-CA 3.31Å; S368-G371 PolarHBondContact O-N 3.3Å; S368-G371 VanDerWaalsContact O-N 3.1Å; S368-G371 PolarHBondContact OG-N 3.22Å; W369-G371 VanDerWaalsContact C-N 3.27Å; W369-G371 PolarHBondContact O-N 2.87Å; G371-K384 VanDerWaalsContact O-CD 3.25Å; G371-K384 WeakPolarHBondContact O-CD 3.36Å; G371-K384 WeakPolarHBondContact O-CE 3.17Å; G371-K384 PolarHBondContact O-NZ 3.27Å
372T95.8Very high95Very high106 Ų10653.1 Ų53.165%0.6529%0.294SS*.THydrogen-bonded Turntrans-83.2-23.8174.763.50000112.7S368 W369 R370S368-T372 PolarHBondContact O-N 3.21Å; W369-T372 WeakPolarHBondContact O-CB 3.12Å; W369-T372 WeakPolarHBondContact O-CG2 3.01Å; W369-T372 PolarHBondContact O-N 2.97Å; W369-T372 VanDerWaalsContact O-N 3.14Å; W369-T372 PolarHBondContact O-OG1 2.96Å; R370-T372 VanDerWaalsContact C-N 3.26Å; R370-T372 PolarHBondContact O-N 2.69Å
373K95.9Very high94.9Very high91 Ų9153.9 Ų53.940%0.39630%0.297SS..SBendtrans-108.3152172.7-60.7-179.3179.7-179.70110.2E358 S368 W369E358-K373 IonicContact OE1-NZ 2.82Å; E358-K373 PolarHBondContact OE1-NZ 3.45Å; S368-K373 WeakPolarHBondContact CB-O 3.48Å; S368-K373 PolarHBondContact O-N 3.04Å; W369-K373 HydrophobicContact CB-CD 3.98Å; W369-K373 HydrophobicContact CB-CG 4.04Å
374S95.8Very high94.9Very high69 Ų6958.6 Ų58.648%0.48332%0.317SS..  trans-106.1131.3173.1-65.80000110.8
375I96.4Very high94.9Very high20 Ų2059.5 Ų59.510%0.10332%0.321CS..EExtended strand (participates in β ladder)trans-85.7114175-56.5159.8000107.3I316 M364 L367 L377 S382 R383I316-I375 HydrophobicContact CB-CG2 4.41Å; I316-I375 HydrophobicContact CG2-CG2 3.87Å; M364-I375 HydrophobicContact CE-CD1 3.43Å; M364-I375 VanDerWaalsContact CE-CD1 3.43Å; M364-I375 HydrophobicContact SD-CD1 3.46Å; M364-I375 WeakPolarHBondContact SD-CD1 3.46Å; L367-I375 HydrophobicContact CB-CD1 3.47Å; L367-I375 VanDerWaalsContact CB-CD1 3.47Å; L367-I375 HydrophobicContact CB-CG1 3.92Å; L367-I375 HydrophobicContact CD1-CD1 4.29Å; I375-L377 HydrophobicContact CG2-CD2 4.16Å; I375-S382 CarbonylContact O-C 3.54Å; I375-S382 WeakPolarHBondContact O-CA 3.47Å; I375-S382 VanDerWaalsContact O-CB 3.29Å; I375-S382 WeakPolarHBondContact O-CB 3.29Å; I375-R383 PolarHBondContact N-O 2.81Å; I375-R383 PolarHBondContact O-N 3.42Å
376R94.3Very high94.9Very high225 Ų22559.4 Ų59.485%0.84932%0.321SS*.EExtended strand (participates in β ladder)trans-81.5125.8-178.1-65.8-176.8179.3-175.6-0110
377L94.1Very high94.9Very high7 Ų763.9 Ų63.94%0.03734%0.342CS..EExtended strand (participates in β ladder)trans-100.3-5.6176.2-55-172.5000112.3I305 P307 H314 I316 I375 V381 R383I305-L377 HydrophobicContact CD1-CD1 4.3Å; I305-L377 HydrophobicContact CG2-CD1 3.79Å; I305-L377 HydrophobicContact CG2-CD2 3.48Å; I305-L377 VanDerWaalsContact CG2-CD2 3.48Å; I305-L377 HydrophobicContact CG2-CG 4.29Å; P307-L377 HydrophobicContact CG-CD1 3.68Å; H314-L377 HydrophobicContact CB-CB 4.46Å; H314-L377 HydrophobicContact CB-CD2 4.24Å; H314-L377 PolarHBondContact CD2-O 3.11Å; H314-L377 PolarHBondContact CE1-O 3.07Å; H314-L377 PolarHBondContact ND1-O 3.25Å; H314-L377 PolarHBondContact NE2-O 3.43Å; I316-L377 HydrophobicContact CG2-CD2 3.58Å; I375-L377 HydrophobicContact CG2-CD2 4.16Å; L377-V381 HydrophobicContact CB-CB 4.29Å; L377-V381 HydrophobicContact CB-CG1 4.26Å; L377-V381 HydrophobicContact CD1-CG1 4.15Å; L377-V381 PolarHBondContact N-O 3.24Å; L377-R383 HydrophobicContact CD1-CG 3.62Å; L377-R383 HydrophobicContact CG-CG 4.34Å
378G85.8Confident94.9Very high36 Ų3666.2 Ų66.237%0.37135%0.354SS..EExtended strand (participates in β ladder)trans98.4164.5-176.500000112.2G380 V381G378-G380 PolarHBondContact O-N 3.48Å; G378-V381 WeakPolarHBondContact O-CB 3.4Å; G378-V381 PolarHBondContact O-N 3.47Å
379N84.9Confident94.9Very high152 Ų15266.7 Ų66.781%0.81336%0.359SS*.THydrogen-bonded Turntrans49.631.6-178.6-59.9-30.4000115.1V381N379-V381 PolarHBondContact O-N 3Å
380G87.5Confident95Very high84 Ų8462.8 Ų62.887%0.86634%0.344SS*.THydrogen-bonded Turntrans79.5-4.5-177.600000115.1G378G378-G380 PolarHBondContact O-N 3.48Å
381V94Very high95.2Very high40 Ų4061 Ų6124%0.24234%0.341CS..EExtended strand (participates in β ladder)trans-77.5136.4175.3-1740000109.6P307 L377 G378 N379P307-V381 HydrophobicContact CG-CG1 4.28Å; L377-V381 HydrophobicContact CB-CB 4.29Å; L377-V381 HydrophobicContact CB-CG1 4.26Å; L377-V381 HydrophobicContact CD1-CG1 4.15Å; L377-V381 PolarHBondContact N-O 3.24Å; G378-V381 WeakPolarHBondContact O-CB 3.4Å; G378-V381 PolarHBondContact O-N 3.47Å; N379-V381 PolarHBondContact O-N 3Å
382S96.5Very high95.4Very high48 Ų4860.4 Ų60.434%0.33633%0.334SS..EExtended strand (participates in β ladder)trans-145.1163174.8700000111.4I375I375-S382 CarbonylContact O-C 3.54Å; I375-S382 WeakPolarHBondContact O-CA 3.47Å; I375-S382 VanDerWaalsContact O-CB 3.29Å; I375-S382 WeakPolarHBondContact O-CB 3.29Å
383R97.5Very high95.5Very high16 Ų1656.2 Ų56.26%0.0631%0.308CS..EExtended strand (participates in β ladder)trans-134.2155.4177.1-66.2-69.2-179.2-105.57.3111.5I305 M364 I375 L377 F385 E387 D390I305-R383 HydrophobicContact CD1-CG 4.11Å; M364-R383 HydrophobicContact CE-CB 3.47Å; M364-R383 VanDerWaalsContact CE-CB 3.47Å; M364-R383 HydrophobicContact CE-CG 4.39Å; I375-R383 PolarHBondContact N-O 2.81Å; I375-R383 PolarHBondContact O-N 3.42Å; L377-R383 HydrophobicContact CD1-CG 3.62Å; L377-R383 HydrophobicContact CG-CG 4.34Å; R383-F385 WeakPolarHBondContact CD-O 3.35Å; R383-E387 IonicContact CZ-OE1 2.81Å; R383-E387 IonicContact CZ-OE2 2.69Å; R383-E387 IonicContact NE-OE2 2.61Å; R383-E387 IonicContact NH1-OE1 2.67Å; R383-E387 PolarHBondContact NH1-OE1 2.93Å; R383-E387 VanDerWaalsContact NH1-OE1 3.13Å; R383-E387 IonicContact NH1-OE2 3.28Å; R383-E387 PolarHBondContact NH1-OE2 3.4Å; R383-E387 IonicContact NH2-OE2 2.9Å; R383-E387 PolarHBondContact NH2-OE2 2.94Å; R383-E387 VanDerWaalsContact NH2-OE2 3.17Å; R383-D390 WeakPolarHBondContact CD-OD2 3.42Å; R383-D390 IonicContact CZ-OD1 3.84Å; R383-D390 IonicContact CZ-OD2 2.7Å; R383-D390 IonicContact NE-OD1 3.38Å; R383-D390 PolarHBondContact NE-OD1 3.37Å; R383-D390 IonicContact NE-OD2 2.87Å; R383-D390 PolarHBondContact NE-OD2 3.41Å; R383-D390 IonicContact NH2-OD1 3.03Å; R383-D390 PolarHBondContact NH2-OD1 3.23Å; R383-D390 IonicContact NH2-OD2 3.18Å
384K97.8Very high95.7Very high98 Ų9851.9 Ų51.943%0.42629%0.289SS..SBendtrans-117.8-43.7163.7-68.7-178.9173.4-164.70110.1S368 G371S368-K384 VanDerWaalsContact CB-O 3.27Å; S368-K384 WeakPolarHBondContact CB-O 3.46Å; S368-K384 PolarHBondContact OG-O 2.92Å; G371-K384 VanDerWaalsContact O-CD 3.25Å; G371-K384 WeakPolarHBondContact O-CD 3.36Å; G371-K384 WeakPolarHBondContact O-CE 3.17Å; G371-K384 PolarHBondContact O-NZ 3.27Å
385F98.4Very high95.8Very high20 Ų2051.9 Ų51.99%0.08828%0.28CS..SBendtrans-134.5176170.3-70.9-77.8000108.2M197 V198 D199 R239 M364 L365 R383M197-F385 HydrophobicContact CB-CD1 4.01Å; M197-F385 HydrophobicContact CB-CD2 4.11Å; M197-F385 HydrophobicContact CB-CE1 4.14Å; M197-F385 HydrophobicContact CB-CE2 4.24Å; M197-F385 HydrophobicContact CB-CG 4Å; M197-F385 HydrophobicContact CB-CZ 4.27Å; M197-F385 HydrophobicContact CE-CD2 4.36Å; M197-F385 HydrophobicContact CE-CE1 4.04Å; M197-F385 HydrophobicContact CE-CE2 3.42Å; M197-F385 VanDerWaalsContact CE-CE2 3.42Å; M197-F385 HydrophobicContact CE-CZ 3.23Å; M197-F385 HydrophobicContact CG-CD2 3.93Å; M197-F385 HydrophobicContact CG-CE2 3.93Å; M197-F385 HydrophobicContact CG-CG 4.33Å; M197-F385 HydrophobicContact CG-CZ 4.33Å; M197-F385 HydrophobicContact SD-CE2 4.43Å; V198-F385 WeakPolarHBondContact O-CB 3.43Å; D199-F385 HydrophobicContact CB-CD1 4.29Å; R239-F385 HydrophobicContact CG-CE1 4Å; M364-F385 HydrophobicContact CB-CD1 4.2Å; M364-F385 HydrophobicContact CB-CE1 4.49Å; L365-F385 HydrophobicContact CB-CE1 4.35Å; L365-F385 HydrophobicContact CD1-CZ 4.34Å; R383-F385 WeakPolarHBondContact CD-O 3.35Å
386L98.5Very high95.9Very high3 Ų351 Ų512%0.01628%0.276CS..PPolyproline II helixtrans-72.7132.7-177.3-56.8-177.4000111.7R177 V198 W236 I305 M364 I392 L414R177-L386 PolarHBondContact NH1-O 3.48Å; R177-L386 PolarHBondContact NH2-O 3.06Å; V198-L386 HydrophobicContact CB-CB 4.45Å; V198-L386 HydrophobicContact CG1-CB 4.44Å; V198-L386 HydrophobicContact CG1-CD1 4.35Å; V198-L386 WeakPolarHBondContact O-CB 3.1Å; V198-L386 WeakPolarHBondContact O-CG 3.25Å; V198-L386 PolarHBondContact O-N 3.49Å; W236-L386 HydrophobicContact CE3-CD1 4.07Å; W236-L386 HydrophobicContact CZ3-CD1 3.55Å; I305-L386 HydrophobicContact CD1-CD2 3.77Å; M364-L386 HydrophobicContact CE-CD2 4.34Å; M364-L386 HydrophobicContact CG-CD2 4.21Å; M364-L386 HydrophobicContact SD-CD2 4.41Å; L386-I392 HydrophobicContact CD1-CD1 4.45Å; L386-I392 HydrophobicContact CD1-CG1 3.82Å; L386-I392 HydrophobicContact CD2-CD1 3.68Å; L386-I392 HydrophobicContact CD2-CG1 3.93Å; L386-L414 HydrophobicContact CB-CD2 3.69Å
387E98.1Very high96.1Very high95 Ų9542.5 Ų42.544%0.44424%0.244SC..PPolyproline II helixtrans-94.3161.8173.1-71.5176-161.400110.8R383 G389 D390R383-E387 IonicContact CZ-OE1 2.81Å; R383-E387 IonicContact CZ-OE2 2.69Å; R383-E387 IonicContact NE-OE2 2.61Å; R383-E387 IonicContact NH1-OE1 2.67Å; R383-E387 PolarHBondContact NH1-OE1 2.93Å; R383-E387 VanDerWaalsContact NH1-OE1 3.13Å; R383-E387 IonicContact NH1-OE2 3.28Å; R383-E387 PolarHBondContact NH1-OE2 3.4Å; R383-E387 IonicContact NH2-OE2 2.9Å; R383-E387 PolarHBondContact NH2-OE2 2.94Å; R383-E387 VanDerWaalsContact NH2-OE2 3.17Å; E387-G389 PolarHBondContact O-N 3.22Å; E387-D390 PolarHBondContact N-OD2 3.12Å; E387-D390 WeakPolarHBondContact O-CB 3.49Å; E387-D390 PolarHBondContact O-N 2.96Å
388D98.2Very high96.4Very high74 Ų7442.1 Ų42.140%0.39624%0.242SC..THydrogen-bonded Turntrans-62.8134.5176.4-67.9-15.9000110.5R177 D390 A416R177-D388 IonicContact CZ-OD1 2.79Å; R177-D388 IonicContact NE-OD1 2.87Å; R177-D388 PolarHBondContact NE-OD1 3.42Å; R177-D388 IonicContact NE-OD2 3.13Å; R177-D388 IonicContact NH2-OD1 2.69Å; R177-D388 PolarHBondContact NH2-OD1 2.98Å; D388-D390 VanDerWaalsContact C-N 3.33Å; D388-A416 HydrophobicContact CB-CB 4.3Å; D388-A416 VanDerWaalsContact CG-CA 3.47Å; D388-A416 VanDerWaalsContact OD2-CA 3.3Å; D388-A416 WeakPolarHBondContact OD2-CA 3.44Å; D388-A416 VanDerWaalsContact OD2-CB 3.27Å; D388-A416 WeakPolarHBondContact OD2-CB 3.36Å
389G97.9Very high96.9Very high9 Ų946.6 Ų46.69%0.09325%0.251CS..THydrogen-bonded Turntrans87.3-8.3-177.100000114.7E387 E391 K413 L414E387-G389 PolarHBondContact O-N 3.22Å; G389-E391 PolarHBondContact O-N 3.39Å; G389-K413 VanDerWaalsContact O-CE 3.22Å; G389-K413 WeakPolarHBondContact O-CE 3.43Å; G389-L414 WeakPolarHBondContact CA-O 3.34Å; G389-L414 PolarHBondContact N-O 3.29Å
390D98.5Very high97.2Very high0 Ų042.4 Ų42.40%023%0.229CC..PPolyproline II helixtrans-62.8131.5172.3-71.7-16.8000110.6I305 P307 R383 E387 D388 L414I305-D390 HydrophobicContact CD1-CB 4.16Å; I305-D390 HydrophobicContact CG1-CB 4.21Å; P307-D390 WeakPolarHBondContact CA-OD1 3.23Å; R383-D390 WeakPolarHBondContact CD-OD2 3.42Å; R383-D390 IonicContact CZ-OD1 3.84Å; R383-D390 IonicContact CZ-OD2 2.7Å; R383-D390 IonicContact NE-OD1 3.38Å; R383-D390 PolarHBondContact NE-OD1 3.37Å; R383-D390 IonicContact NE-OD2 2.87Å; R383-D390 PolarHBondContact NE-OD2 3.41Å; R383-D390 IonicContact NH2-OD1 3.03Å; R383-D390 PolarHBondContact NH2-OD1 3.23Å; R383-D390 IonicContact NH2-OD2 3.18Å; E387-D390 PolarHBondContact N-OD2 3.12Å; E387-D390 WeakPolarHBondContact O-CB 3.49Å; E387-D390 PolarHBondContact O-N 2.96Å; D388-D390 VanDerWaalsContact C-N 3.33Å; D390-L414 PolarHBondContact O-N 2.98Å
391E98.7Very high97.2Very high75 Ų7543.7 Ų43.735%0.3523%0.225SC..EExtended strand (participates in β ladder)trans-102.9121.6170.5-176.1-177.116600110I305 K306 G389 K413I305-E391 CarbonylContact C-O 3.57Å; I305-E391 WeakPolarHBondContact CA-O 3.2Å; K306-E391 HydrophobicContact CB-CB 4.3Å; K306-E391 PolarHBondContact N-O 3.41Å; K306-E391 PolarHBondContact O-N 3.31Å; G389-E391 PolarHBondContact O-N 3.39Å; E391-K413 HydrophobicContact CB-CB 4.34Å; E391-K413 HydrophobicContact CG-CB 4.47Å
392I98.8Very high96.8Very high0 Ų049 Ų490%025%0.252CS..EExtended strand (participates in β ladder)trans-98.5135.1172.9-66.4-65.5000108.8F200 W236 V303 T304 I305 I316 L386 L394 A411 G412F200-I392 HydrophobicContact CB-CG1 4.42Å; F200-I392 HydrophobicContact CB-CG2 4.03Å; F200-I392 HydrophobicContact CD1-CD1 4.1Å; F200-I392 HydrophobicContact CG-CG2 4.3Å; W236-I392 HydrophobicContact CH2-CB 3.82Å; W236-I392 HydrophobicContact CH2-CG1 4.09Å; W236-I392 HydrophobicContact CZ2-CB 4.47Å; W236-I392 HydrophobicContact CZ3-CB 4.44Å; W236-I392 HydrophobicContact CZ3-CG1 4.25Å; V303-I392 HydrophobicContact CG1-CG2 4.02Å; T304-I392 WeakPolarHBondContact O-CA 3.48Å; I305-I392 HydrophobicContact CB-CD1 3.78Å; I305-I392 HydrophobicContact CD1-CD1 4.03Å; I305-I392 HydrophobicContact CG1-CD1 3.77Å; I316-I392 HydrophobicContact CD1-CD1 4.4Å; L386-I392 HydrophobicContact CD1-CD1 4.45Å; L386-I392 HydrophobicContact CD1-CG1 3.82Å; L386-I392 HydrophobicContact CD2-CD1 3.68Å; L386-I392 HydrophobicContact CD2-CG1 3.93Å; I392-L394 HydrophobicContact CG2-CD1 3.63Å; I392-A411 CarbonylContact O-C 3.58Å; I392-A411 WeakPolarHBondContact O-CA 3.31Å; I392-G412 PolarHBondContact N-O 3.47Å; I392-G412 PolarHBondContact O-N 2.95Å
393N98.8Very high96.7Very high19 Ų1948.2 Ų48.210%0.10224%0.244CC..EExtended strand (participates in β ladder)trans-135.4118.1172.8-179.222.2000111T304 K395 N409 C410 A411T304-N393 PolarHBondContact N-O 3.04Å; T304-N393 PolarHBondContact O-N 3.09Å; T304-N393 PolarHBondContact OG1-O 3.26Å; N393-K395 VanDerWaalsContact ND2-CE 3.31Å; N393-K395 WeakPolarHBondContact ND2-CE 3.37Å; N393-N409 PolarHBondContact ND2-OD1 3.48Å; N393-N409 WeakPolarHBondContact OD1-CB 3.5Å; N393-N409 PolarHBondContact OD1-OD1 3.23Å; N393-C410 PolarHBondContact OD1-N 3.07Å; N393-A411 HydrophobicContact CB-CB 3.96Å
394L98.9Very high96.6Very high0 Ų050.9 Ų50.90%025%0.254CS..EExtended strand (participates in β ladder)trans-87.4133.9170-8159.7000109.2L202 L232 L233 N234 E302 V303 I392 C410L202-L394 HydrophobicContact CD1-CD2 3.77Å; L202-L394 HydrophobicContact CD1-CG 3.79Å; L232-L394 HydrophobicContact CD1-CB 4.36Å; L232-L394 WeakPolarHBondContact CD1-O 3.15Å; L233-L394 WeakPolarHBondContact O-CD2 3.43Å; N234-L394 HydrophobicContact CB-CD1 4.08Å; N234-L394 HydrophobicContact CB-CD2 3.95Å; E302-L394 WeakPolarHBondContact O-CA 3.23Å; V303-L394 HydrophobicContact CG1-CD1 4.13Å; V303-L394 HydrophobicContact CG2-CD1 4.18Å; V303-L394 HydrophobicContact CG2-CG 4.11Å; I392-L394 HydrophobicContact CG2-CD1 3.63Å; L394-C410 HydrophobicContact CB-CB 3.96Å; L394-C410 PolarHBondContact N-O 3.47Å; L394-C410 PolarHBondContact O-N 3.18Å
395K98.8Very high96.7Very high68 Ų6846.2 Ų46.230%0.29623%0.233SC..EExtended strand (participates in β ladder)trans-125.4147.9173.5-62.7175.3-173.3167.90109.3L301 E302 N393 W397L301-K395 WeakPolarHBondContact CA-O 3.38Å; E302-K395 HydrophobicContact CB-CB 4.48Å; E302-K395 PolarHBondContact N-O 2.91Å; E302-K395 PolarHBondContact O-N 2.77Å; N393-K395 VanDerWaalsContact ND2-CE 3.31Å; N393-K395 WeakPolarHBondContact ND2-CE 3.37Å; K395-W397 HydrophobicContact CB-CE3 4.35Å; K395-W397 HydrophobicContact CB-CZ3 3.97Å
396G98.8Very high96.7Very high1 Ų145.2 Ų45.21%0.0123%0.229CC..EExtended strand (participates in β ladder)trans-146.4139.9176.700000111.9N300 G406 F407N300-G396 CarbonylContact O-C 3.43Å; N300-G396 WeakPolarHBondContact O-CA 3.24Å; G396-G406 WeakPolarHBondContact O-CA 3.28Å; G396-F407 WeakPolarHBondContact O-CD2 3.16Å; G396-F407 PolarHBondContact O-N 2.86Å
397W98.8Very high96.7Very high47 Ų4745.1 Ų45.118%0.17823%0.228CC..EExtended strand (participates in β ladder)trans-156.4143174.96588.4000112.9N300 E302 K395 R404 I405N300-W397 HydrophobicContact CB-CD2 4.26Å; N300-W397 HydrophobicContact CB-CZ2 4.03Å; N300-W397 WeakPolarHBondContact CB-O 3.48Å; N300-W397 PolarHBondContact N-O 2.92Å; N300-W397 PolarHBondContact ND2-O 3.05Å; N300-W397 VanDerWaalsContact ND2-O 3.1Å; N300-W397 PolarHBondContact O-N 3.38Å; E302-W397 HydrophobicContact CB-CH2 3.92Å; E302-W397 HydrophobicContact CB-CZ3 3.93Å; K395-W397 HydrophobicContact CB-CE3 4.35Å; K395-W397 HydrophobicContact CB-CZ3 3.97Å; W397-R404 HydrophobicContact CB-CG 4.21Å; W397-I405 CarbonylContact C-O 3.48Å; W397-I405 WeakPolarHBondContact CA-O 3.36Å
398C98.7Very high96.7Very high0 Ų040.9 Ų40.90%021%0.211CC..EExtended strand (participates in β ladder)trans-86.2143.9160.5-57.50000109.5F274 D298 R404 I405F274-C398 HydrophobicContact CB-CB 3.95Å; F274-C398 HydrophobicContact CD1-CB 3.5Å; F274-C398 VanDerWaalsContact CD1-CB 3.5Å; F274-C398 HydrophobicContact CD2-CB 3.45Å; F274-C398 VanDerWaalsContact CD2-CB 3.45Å; F274-C398 HydrophobicContact CE1-CB 3.71Å; F274-C398 HydrophobicContact CE2-CB 3.71Å; F274-C398 HydrophobicContact CG-CB 3.34Å; F274-C398 HydrophobicContact CZ-CB 3.8Å; D298-C398 PolarHBondContact O-SG 2.95Å; C398-R404 CarbonylContact O-C 3.48Å; C398-R404 VanDerWaalsContact O-CA 3.26Å; C398-R404 WeakPolarHBondContact O-CA 3.38Å; C398-I405 HydrophobicContact CB-CB 4.24Å; C398-I405 PolarHBondContact N-O 2.85Å; C398-I405 PolarHBondContact O-N 2.85Å
399K96.4Very high96.7Very high130 Ų13041.3 Ų41.357%0.56521%0.213SC*.EExtended strand (participates in β ladder)trans-147132.8176.3-175176.2179.4-1760111.6L403K399-L403 WeakPolarHBondContact CA-O 3.15Å
400N91.8Very high96.7Very high64 Ų6440.9 Ų40.934%0.34221%0.208SC..  trans-124.7-166.6164.46732.9000109.5F274 N402 L403F274-N400 HydrophobicContact CE1-CB 4.04Å; N400-N402 PolarHBondContact O-N 3.15Å; N400-N402 PolarHBondContact OD1-N 2.95Å; N400-L403 PolarHBondContact N-O 3.45Å; N400-L403 WeakPolarHBondContact OD1-CB 3.5Å; N400-L403 PolarHBondContact OD1-N 3.18Å
401S88.1Confident96.8Very high111 Ų11141.3 Ų41.378%0.77621%0.212SC*.SBendtrans-59.5-28.6-177.950.60000114.3
402N85.6Confident96.8Very high152 Ų15237.9 Ų37.981%0.81320%0.196SC*.SBendtrans-123.3-18.3-169.1-63.5-35.1000114N400N400-N402 PolarHBondContact O-N 3.15Å; N400-N402 PolarHBondContact OD1-N 2.95Å
403L92.7Very high96.7Very high31 Ų3141 Ų4116%0.16221%0.21CC..  trans-134.7136.9-167.9-17961.3000111.2P13 E15 F274 K399 N400 I405P13-L403 HydrophobicContact CG-CD1 3.84Å; E15-L403 HydrophobicContact CB-CD1 3.58Å; E15-L403 HydrophobicContact CB-CD2 4.02Å; E15-L403 HydrophobicContact CB-CG 4.45Å; E15-L403 HydrophobicContact CG-CD1 3.94Å; E15-L403 HydrophobicContact CG-CD2 4.38Å; F274-L403 HydrophobicContact CE2-CD2 3.99Å; F274-L403 HydrophobicContact CE2-CG 4.46Å; F274-L403 HydrophobicContact CZ-CB 4.28Å; F274-L403 HydrophobicContact CZ-CD2 3.81Å; F274-L403 HydrophobicContact CZ-CG 3.92Å; K399-L403 WeakPolarHBondContact CA-O 3.15Å; N400-L403 PolarHBondContact N-O 3.45Å; N400-L403 WeakPolarHBondContact OD1-CB 3.5Å; N400-L403 PolarHBondContact OD1-N 3.18Å; L403-I405 HydrophobicContact CD1-CD1 3.85Å; L403-I405 HydrophobicContact CD1-CG1 4.42Å; L403-I405 HydrophobicContact CD2-CD1 4.08Å; L403-I405 HydrophobicContact CD2-CG1 4.11Å; L403-I405 HydrophobicContact CG-CD1 4.05Å; L403-I405 HydrophobicContact CG-CG1 4.1Å
404R96.8Very high96.7Very high71 Ų7140.1 Ų40.127%0.26821%0.206SC..EExtended strand (participates in β ladder)trans-120.8131.4166177.4178169.4145.73.4108.8G9 D11 P13 W397 C398G9-R404 VanDerWaalsContact O-CD 3.3Å; G9-R404 WeakPolarHBondContact O-CD 3.43Å; G9-R404 PolarHBondContact O-NE 3.25Å; D11-R404 IonicContact OD1-CZ 3.72Å; D11-R404 IonicContact OD1-NE 2.78Å; D11-R404 PolarHBondContact OD1-NE 2.65Å; D11-R404 IonicContact OD1-NH2 3.69Å; D11-R404 PolarHBondContact OD1-NH2 2.99Å; D11-R404 IonicContact OD2-NH2 3.48Å; P13-R404 WeakPolarHBondContact CD-O 3.44Å; P13-R404 WeakPolarHBondContact CG-O 3.48Å; W397-R404 HydrophobicContact CB-CG 4.21Å; C398-R404 CarbonylContact O-C 3.48Å; C398-R404 VanDerWaalsContact O-CA 3.26Å; C398-R404 WeakPolarHBondContact O-CA 3.38Å
405I98.6Very high96.7Very high0 Ų042.6 Ų42.60%022%0.218CC..EExtended strand (participates in β ladder)trans-120111172.2-59.9-61.4000106.5P13 E15 N16 V266 A270 L271 F274 W397 C398 L403P13-I405 HydrophobicContact CG-CD1 4.12Å; E15-I405 HydrophobicContact CB-CD1 4.1Å; N16-I405 HydrophobicContact CB-CD1 3.62Å; N16-I405 HydrophobicContact CB-CG2 4.19Å; V266-I405 HydrophobicContact CG1-CG2 3.68Å; A270-I405 HydrophobicContact CB-CG2 4.43Å; L271-I405 HydrophobicContact CD2-CG2 4.27Å; F274-I405 HydrophobicContact CD2-CG1 4.41Å; F274-I405 HydrophobicContact CE2-CB 4.14Å; F274-I405 HydrophobicContact CE2-CG1 3.46Å; F274-I405 VanDerWaalsContact CE2-CG1 3.46Å; F274-I405 HydrophobicContact CZ-CG1 4.01Å; W397-I405 CarbonylContact C-O 3.48Å; W397-I405 WeakPolarHBondContact CA-O 3.36Å; C398-I405 HydrophobicContact CB-CB 4.24Å; C398-I405 PolarHBondContact N-O 2.85Å; C398-I405 PolarHBondContact O-N 2.85Å; L403-I405 HydrophobicContact CD1-CD1 3.85Å; L403-I405 HydrophobicContact CD1-CG1 4.42Å; L403-I405 HydrophobicContact CD2-CD1 4.08Å; L403-I405 HydrophobicContact CD2-CG1 4.11Å; L403-I405 HydrophobicContact CG-CD1 4.05Å; L403-I405 HydrophobicContact CG-CG1 4.1Å
406G98.6Very high96.7Very high0 Ų041.6 Ų41.60%022%0.223CC..EExtended strand (participates in β ladder)trans-111.6164.1-177.800000113.8D11 N16 V266 G396D11-G406 PolarHBondContact O-N 2.81Å; D11-G406 WeakPolarHBondContact OD1-CA 3.44Å; N16-G406 PolarHBondContact ND2-O 2.67Å; V266-G406 WeakPolarHBondContact CG2-O 3.42Å; G396-G406 WeakPolarHBondContact O-CA 3.28Å
407F98.9Very high96.7Very high0 Ų042.4 Ų42.40%023%0.229CC..EExtended strand (participates in β ladder)trans-104-4.6-177.2-72.5-104.5000113M230 L232 V266 L271 I299 G396M230-F407 HydrophobicContact CB-CE1 3.7Å; M230-F407 HydrophobicContact CB-CZ 4.18Å; M230-F407 WeakPolarHBondContact O-CE1 3.46Å; L232-F407 HydrophobicContact CD1-CB 3.87Å; L232-F407 HydrophobicContact CD2-CB 4.27Å; L232-F407 HydrophobicContact CD2-CD1 4.48Å; L232-F407 HydrophobicContact CD2-CG 4.28Å; L232-F407 HydrophobicContact CG-CB 3.75Å; L232-F407 HydrophobicContact CG-CD1 4.36Å; L232-F407 HydrophobicContact CG-CG 4.19Å; V266-F407 HydrophobicContact CB-CD1 4.1Å; V266-F407 HydrophobicContact CB-CE1 3.7Å; V266-F407 HydrophobicContact CB-CE2 4.49Å; V266-F407 HydrophobicContact CB-CZ 3.92Å; V266-F407 HydrophobicContact CG1-CZ 4.27Å; V266-F407 HydrophobicContact CG2-CB 4.49Å; V266-F407 HydrophobicContact CG2-CD1 3.58Å; V266-F407 HydrophobicContact CG2-CD2 4.15Å; V266-F407 HydrophobicContact CG2-CE1 3.71Å; V266-F407 HydrophobicContact CG2-CE2 4.26Å; V266-F407 HydrophobicContact CG2-CG 3.82Å; V266-F407 HydrophobicContact CG2-CZ 4.06Å; L271-F407 HydrophobicContact CD1-CZ 4.25Å; L271-F407 HydrophobicContact CD2-CE2 4.18Å; L271-F407 HydrophobicContact CD2-CZ 4.01Å; I299-F407 HydrophobicContact CD1-CE2 4.46Å; I299-F407 HydrophobicContact CD1-CZ 4.19Å; I299-F407 HydrophobicContact CG2-CD2 4.43Å; I299-F407 HydrophobicContact CG2-CE2 3.81Å; I299-F407 HydrophobicContact CG2-CZ 4.46Å; G396-F407 WeakPolarHBondContact O-CD2 3.16Å; G396-F407 PolarHBondContact O-N 2.86Å
408G98.2Very high96.3Very high7 Ų745.5 Ų45.57%0.07225%0.246CC..EExtended strand (participates in β ladder)trans70.7-151.2-16900000112D11D11-G408 PolarHBondContact OD2-N 2.83Å
409N98.3Very high95.6Very high82 Ų8255.5 Ų55.544%0.43929%0.289SS..EExtended strand (participates in β ladder)trans-101.9139.3-175.7-63-62.2000111.6S171 N393S171-N409 VanDerWaalsContact CB-O 3.24Å; S171-N409 WeakPolarHBondContact CB-O 3.2Å; S171-N409 PolarHBondContact OG-O 2.82Å; N393-N409 PolarHBondContact ND2-OD1 3.48Å; N393-N409 WeakPolarHBondContact OD1-CB 3.5Å; N393-N409 PolarHBondContact OD1-OD1 3.23Å
410C98.9Very high94.3Very high0 Ų058.8 Ų58.80%030%0.304CS..EExtended strand (participates in β ladder)trans-116.487.6161172.20000108S171 L232 T260 N393 L394S171-C410 WeakPolarHBondContact OG-CA 3.24Å; L232-C410 HydrophobicContact CB-CB 3.69Å; L232-C410 HydrophobicContact CD1-CB 4.28Å; T260-C410 PolarHBondContact O-SG 3.26Å; T260-C410 VanDerWaalsContact O-SG 3.41Å; N393-C410 PolarHBondContact OD1-N 3.07Å; L394-C410 HydrophobicContact CB-CB 3.96Å; L394-C410 PolarHBondContact N-O 3.47Å; L394-C410 PolarHBondContact O-N 3.18Å
411A98.7Very high94.5Very high10 Ų1058.5 Ų58.58%0.08330%0.302CS..EExtended strand (participates in β ladder)trans-114.3150.4-170.200000112.6S171 G172 I392 N393S171-A411 PolarHBondContact OG-N 2.88Å; G172-A411 PolarHBondContact N-O 2.88Å; I392-A411 CarbonylContact O-C 3.58Å; I392-A411 WeakPolarHBondContact O-CA 3.31Å; N393-A411 HydrophobicContact CB-CB 3.96Å
412G98.7Very high94.8Very high2 Ų255.7 Ų55.72%0.02128%0.277CS..EExtended strand (participates in β ladder)trans-161.5142.2170.300000111.5W236 I392W236-G412 WeakPolarHBondContact CH2-O 3.44Å; I392-G412 PolarHBondContact N-O 3.47Å; I392-G412 PolarHBondContact O-N 2.95Å
413K98.7Very high95.3Very high67 Ų6750.4 Ų50.429%0.29125%0.247SC..EExtended strand (participates in β ladder)trans-99.7129.5176.2-176.9171.7-178.8164.10110.2C174 I175 D308 G389 E391C174-K413 WeakPolarHBondContact CA-O 3.45Å; I175-K413 PolarHBondContact N-O 3.24Å; D308-K413 IonicContact OD1-NZ 3.77Å; D308-K413 PolarHBondContact OD1-NZ 3.04Å; G389-K413 VanDerWaalsContact O-CE 3.22Å; G389-K413 WeakPolarHBondContact O-CE 3.43Å; E391-K413 HydrophobicContact CB-CB 4.34Å; E391-K413 HydrophobicContact CG-CB 4.47Å
414L98.8Very high95.5Very high0 Ų051.5 Ų51.50%025%0.252CS..EExtended strand (participates in β ladder)trans-78.4119.4175.7-174.260.3000109.8I175 R177 V198 L386 G389 D390I175-L414 CarbonylContact O-C 3.56Å; I175-L414 WeakPolarHBondContact O-CA 3.41Å; R177-L414 HydrophobicContact CB-CD1 4.18Å; R177-L414 VanDerWaalsContact NH2-CD2 3.28Å; V198-L414 HydrophobicContact CB-CD2 4Å; V198-L414 HydrophobicContact CG1-CD1 4.06Å; V198-L414 HydrophobicContact CG1-CD2 3.72Å; V198-L414 HydrophobicContact CG2-CD2 4.48Å; L386-L414 HydrophobicContact CB-CD2 3.69Å; G389-L414 WeakPolarHBondContact CA-O 3.34Å; G389-L414 PolarHBondContact N-O 3.29Å; D390-L414 PolarHBondContact O-N 2.98Å
415L98.6Very high95.4Very high52 Ų5250.3 Ų50.327%0.27225%0.251SS..EExtended strand (participates in β ladder)trans-93.1150.3173.6-55.7-178.5000110.1C174 I175 R177C174-L415 HydrophobicContact CB-CD1 3.71Å; C174-L415 HydrophobicContact CB-CD2 4.21Å; C174-L415 HydrophobicContact CB-CG 3.88Å; I175-L415 PolarHBondContact O-N 2.68Å; R177-L415 WeakPolarHBondContact CB-O 3.34Å; R177-L415 PolarHBondContact N-O 3.5Å
416A98.3Very high95.2Very high47 Ų4753.7 Ų53.739%0.38827%0.268SS..PPolyproline II helixtrans-53.5146.6169.100000112R176 D388R176-A416 WeakPolarHBondContact CG-O 3.19Å; R176-A416 PolarHBondContact NH1-O 3.13Å; D388-A416 HydrophobicContact CB-CB 4.3Å; D388-A416 VanDerWaalsContact CG-CA 3.47Å; D388-A416 VanDerWaalsContact OD2-CA 3.3Å; D388-A416 WeakPolarHBondContact OD2-CA 3.44Å; D388-A416 VanDerWaalsContact OD2-CB 3.27Å; D388-A416 WeakPolarHBondContact OD2-CB 3.36Å
417A97.8Very high94.9Very high18 Ų1857.5 Ų57.515%0.14929%0.287CS..PPolyproline II helixtrans-61.3148.9173.600000109.9R177 P194R177-A417 HydrophobicContact CB-CB 4.09Å; R177-A417 HydrophobicContact CG-CB 4.22Å; R177-A417 WeakPolarHBondContact O-CB 3.43Å; P194-A417 HydrophobicContact CB-CB 3.79Å; P194-A417 HydrophobicContact CG-CB 3.86Å
418H91.2Very high94.6Very high112 Ų11261.9 Ų61.952%0.51931%0.309SS..PPolyproline II helixtrans-63.6148.3172.3-75.5-60.1000110.3R176 W179 F420R176-H418 WeakPolarHBondContact CD-CD2 3.25Å; R176-H418 WeakPolarHBondContact CD-NE2 3.14Å; R176-H418 VanDerWaalsContact CZ-NE2 3.28Å; R176-H418 PolarHBondContact NE-CD2 2.78Å; R176-H418 PolarHBondContact NE-CE1 3.15Å; R176-H418 PolarHBondContact NE-NE2 2.76Å; R176-H418 PolarHBondContact NH2-CE1 3.13Å; W179-H418 PolarHBondContact NE1-O 3.45Å; H418-F420 PolarHBondContact O-N 3.38Å
419F84.2Confident94.3Very high209 Ų20966.5 Ų66.592%0.91733%0.329SS*.PPolyproline II helixtrans-67.3127.2163-69.1-78.2000108.2
420F69.6Low94Very high199 Ų19965.1 Ų65.187%0.87332%0.319SS*.  trans-82.70172.2-105.8-88.1000111.3W179 F192 H418W179-F420 HydrophobicContact CB-CE2 3.91Å; W179-F420 AromaticContact CD1-CD2 3.74Å; W179-F420 AromaticContact CD1-CE2 3.61Å; W179-F420 AromaticContact CD2-CD2 3.51Å; W179-F420 HydrophobicContact CD2-CD2 3.51Å; W179-F420 AromaticContact CD2-CE2 3.81Å; W179-F420 HydrophobicContact CD2-CE2 3.81Å; W179-F420 AromaticContact CE2-CD2 3.45Å; W179-F420 VanDerWaalsContact CE2-CD2 3.45Å; W179-F420 HydrophobicContact CE3-CD2 4.04Å; W179-F420 HydrophobicContact CE3-CE2 4.46Å; W179-F420 AromaticContact CG-CD2 3.72Å; W179-F420 HydrophobicContact CG-CD2 3.72Å; W179-F420 AromaticContact CG-CE2 3.52Å; W179-F420 HydrophobicContact CG-CE2 3.52Å; W179-F420 HydrophobicContact CH2-CB 4.3Å; W179-F420 HydrophobicContact CH2-CD2 4.43Å; W179-F420 HydrophobicContact CZ2-CB 4.24Å; W179-F420 AromaticContact CZ2-CD2 3.96Å; W179-F420 HydrophobicContact CZ2-CD2 3.96Å; W179-F420 HydrophobicContact CZ3-CD2 4.46Å; W179-F420 AromaticContact NE1-CD2 3.55Å; W179-F420 AromaticContact NE1-CE2 3.93Å; F192-F420 HydrophobicContact CE1-CD1 4.41Å; F192-F420 HydrophobicContact CE1-CD2 4.29Å; F192-F420 HydrophobicContact CE1-CE1 4.38Å; F192-F420 HydrophobicContact CE1-CE2 4.25Å; F192-F420 HydrophobicContact CE1-CG 4.35Å; F192-F420 HydrophobicContact CE1-CZ 4.29Å; F192-F420 HydrophobicContact CZ-CD2 4.4Å; F192-F420 HydrophobicContact CZ-CE1 4.34Å; F192-F420 AromaticContact CZ-CE2 3.92Å; F192-F420 HydrophobicContact CZ-CE2 3.92Å; F192-F420 AromaticContact CZ-CZ 3.88Å; F192-F420 HydrophobicContact CZ-CZ 3.88Å; H418-F420 PolarHBondContact O-N 3.38Å

Retrieved 420 of 420 residues in 124.4 ms (Link to these results)

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