A0A096N3X0_PAPAN Loading...

Pleckstrin homology domain containing A3

AlphaFold DB (H9FYR3), UniProt , Accession A0A096N3X0, Species PAPAN (Papio anubis, Olive baboon), Gene PLEKHA3, Length 300 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
1M92.6Very high95.3Very high82 Ų8271 Ų7140%0.40433%0.332SS..  0142.10172.6175.8178.800107.8L22 R83 W84 A87M1-L22 HydrophobicContact CB-CB 4.42Å; M1-L22 PolarHBondContact N-O 2.98Å; M1-L22 PolarHBondContact O-N 3.07Å; M1-R83 HydrophobicContact CE-CB 3.78Å; M1-W84 HydrophobicContact CE-CB 4.32Å; M1-W84 HydrophobicContact CE-CD2 3.48Å; M1-W84 VanDerWaalsContact CE-CD2 3.48Å; M1-W84 HydrophobicContact CE-CE3 4.04Å; M1-W84 HydrophobicContact CE-CG 3.58Å; M1-W84 HydrophobicContact CE-CZ2 4.21Å; M1-W84 HydrophobicContact CG-CE3 4.39Å; M1-W84 HydrophobicContact CG-CH2 4.32Å; M1-W84 HydrophobicContact CG-CZ3 4.21Å; M1-W84 HydrophobicContact SD-CD2 3.95Å; M1-W84 HydrophobicContact SD-CE3 3.88Å; M1-W84 HydrophobicContact SD-CG 4.33Å; M1-W84 HydrophobicContact SD-CZ3 4.3Å; M1-A87 HydrophobicContact CB-CB 4.01Å; M1-A87 HydrophobicContact CG-CB 4.28Å; M1-A87 HydrophobicContact SD-CB 3.33Å; M1-A87 WeakPolarHBondContact SD-CB 3.48Å
2E95.7Very high95.1Very high111 Ų11179.2 Ų79.252%0.51938%0.378SS..EExtended strand (participates in β ladder)trans-142162.7178.357.6180-151.500111.9W19 F20 V21E2-W19 HydrophobicContact CB-CZ2 3.76Å; E2-W19 HydrophobicContact CG-CH2 4.47Å; E2-W19 HydrophobicContact CG-CZ2 3.75Å; E2-F20 CarbonylContact C-O 3.58Å; E2-F20 WeakPolarHBondContact CA-O 3.3Å; E2-V21 HydrophobicContact CB-CG1 4.5Å; E2-V21 HydrophobicContact CB-CG2 4.08Å
3G96.1Very high95Very high14 Ų1478.5 Ų78.514%0.14438%0.382CS..EExtended strand (participates in β ladder)trans156.6174.6179.100000113.5F20G3-F20 PolarHBondContact N-O 2.88Å; G3-F20 PolarHBondContact O-N 3.42Å
4V96.7Very high95Very high55 Ų5573.9 Ų73.933%0.33337%0.365SS..EExtended strand (participates in β ladder)trans-78134.6175.2-179.80000110.7P17 R18 W19V4-P17 HydrophobicContact CG1-CB 3.93Å; V4-R18 WeakPolarHBondContact CA-O 3.46Å; V4-W19 HydrophobicContact CG2-CE3 3.81Å; V4-W19 HydrophobicContact CG2-CZ3 4.1Å
5L97.6Very high95.1Very high0 Ų073.6 Ų73.60%036%0.358CS..EExtended strand (participates in β ladder)trans-128.4145.6158.7-67.3171.8000109.1K7 R18 F20 M61 M73 A75 W84L5-K7 PolarHBondContact O-N 2.71Å; L5-R18 PolarHBondContact N-O 3.41Å; L5-R18 PolarHBondContact O-N 2.94Å; L5-F20 HydrophobicContact CB-CD2 3.58Å; L5-F20 HydrophobicContact CB-CE2 3.67Å; L5-F20 HydrophobicContact CB-CG 4.41Å; L5-F20 HydrophobicContact CD1-CB 4.48Å; L5-F20 HydrophobicContact CD1-CD2 4.15Å; L5-F20 HydrophobicContact CD1-CE2 4.48Å; L5-F20 HydrophobicContact CD1-CG 4.18Å; L5-F20 HydrophobicContact CG-CD2 4.18Å; L5-M61 HydrophobicContact CD1-CE 3.99Å; L5-M61 HydrophobicContact CD2-CE 3.72Å; L5-M73 HydrophobicContact CD1-CE 4.21Å; L5-M73 HydrophobicContact CD1-SD 3.87Å; L5-A75 HydrophobicContact CD2-CB 3.78Å; L5-W84 HydrophobicContact CD1-CD2 3.89Å; L5-W84 HydrophobicContact CD1-CE3 4.37Å; L5-W84 HydrophobicContact CD1-CG 4.17Å; L5-W84 HydrophobicContact CD1-CZ2 4.24Å; L5-W84 VanDerWaalsContact CD2-CD1 3.5Å; L5-W84 HydrophobicContact CD2-CG 4.12Å; L5-W84 HydrophobicContact CG-CD2 4.33Å; L5-W84 HydrophobicContact CG-CG 4.45Å; L5-W84 HydrophobicContact CG-CZ2 4.25Å
6Y97.6Very high95.2Very high78 Ų7873.4 Ų73.431%0.30636%0.356SS..EExtended strand (participates in β ladder)trans-79.8117.9168.6-63.7-88.1000109.1W15 Q16 P17 M73 K74 V76Y6-W15 WeakPolarHBondContact O-CZ3 3.15Å; Y6-Q16 CarbonylContact C-O 3.54Å; Y6-Q16 WeakPolarHBondContact CA-O 3.46Å; Y6-P17 HydrophobicContact CD1-CB 4.01Å; Y6-P17 HydrophobicContact CE1-CB 3.79Å; Y6-P17 HydrophobicContact CE1-CG 4.25Å; Y6-M73 CarbonylContact O-C 3.52Å; Y6-M73 VanDerWaalsContact O-CA 3.28Å; Y6-M73 WeakPolarHBondContact O-CA 3.46Å; Y6-K74 PolarHBondContact N-O 3.48Å; Y6-K74 PolarHBondContact O-N 3.46Å; Y6-V76 HydrophobicContact CE2-CG2 4.12Å
7K96.3Very high95.3Very high26 Ų2672.7 Ų72.711%0.11336%0.359CS..EExtended strand (participates in β ladder)trans-95.6133.1173.4-177.6-175.5172-63.70109.4L5 Q16 R18 F20 Y29 F71L5-K7 PolarHBondContact O-N 2.71Å; K7-Q16 PolarHBondContact N-O 2.84Å; K7-Q16 PolarHBondContact O-N 3.24Å; K7-R18 HydrophobicContact CB-CG 4.32Å; K7-F20 HydrophobicContact CB-CE2 4.42Å; K7-F20 HydrophobicContact CB-CZ 4.27Å; K7-Y29 HydrophobicContact CD-CE2 4.35Å; K7-F71 HydrophobicContact CD-CD1 4.44Å
8W96.1Very high95.3Very high74 Ų7472.1 Ų72.128%0.2835%0.352SS..EExtended strand (participates in β ladder)trans-68.8135.6168-173.6-105.8000110.3Y11 G14 W15 Y72W8-Y11 HydrophobicContact CH2-CD1 4.43Å; W8-Y11 AromaticContact CZ2-CD1 3.87Å; W8-Y11 HydrophobicContact CZ2-CD1 3.87Å; W8-Y11 HydrophobicContact CZ2-CE1 4.15Å; W8-Y11 HydrophobicContact CZ2-CG 4.35Å; W8-G14 VanDerWaalsContact CE3-C 3.46Å; W8-G14 VanDerWaalsContact CZ3-CA 3.42Å; W8-W15 HydrophobicContact CB-CE3 4.15Å; W8-W15 HydrophobicContact CB-CH2 4.24Å; W8-W15 HydrophobicContact CB-CZ3 3.98Å; W8-W15 AromaticContact CE3-CD1 3.71Å; W8-W15 AromaticContact CE3-CD2 3.86Å; W8-W15 HydrophobicContact CE3-CD2 3.86Å; W8-W15 AromaticContact CE3-CE2 3.67Å; W8-W15 AromaticContact CE3-CG 3.9Å; W8-W15 HydrophobicContact CE3-CG 3.9Å; W8-W15 HydrophobicContact CE3-CZ2 4.27Å; W8-W15 AromaticContact CE3-NE1 3.55Å; W8-W15 AromaticContact CZ3-CD1 3.72Å; W8-W15 HydrophobicContact CZ3-CG 4.31Å; W8-W15 AromaticContact CZ3-NE1 3.66Å; W8-Y72 PolarHBondContact N-O 3.29Å
9T92.9Very high95.4Very high51 Ų5169.8 Ų69.831%0.31334%0.339SS..  trans-113.3-63.8-17747.20000111.5T13 G14 Q16T9-T13 PolarHBondContact OG1-OG1 3.03Å; T9-G14 PolarHBondContact N-O 3.24Å; T9-G14 PolarHBondContact OG1-O 3.44Å; T9-Q16 HydrophobicContact CG2-CB 3.99Å; T9-Q16 HydrophobicContact CG2-CG 3.86Å
10N93.8Very high95.5Very high71 Ų7166.4 Ų66.438%0.3832%0.322SS..  trans-162.6-179.7173.560.248.2000109.5L12 T13 G14N10-L12 VanDerWaalsContact C-N 3.27Å; N10-L12 PolarHBondContact O-N 3.23Å; N10-L12 WeakPolarHBondContact OD1-CA 3.38Å; N10-L12 WeakPolarHBondContact OD1-CB 3.47Å; N10-L12 PolarHBondContact OD1-N 3.05Å; N10-T13 PolarHBondContact ND2-OG1 3.43Å; N10-T13 PolarHBondContact OD1-N 3.46Å; N10-T13 PolarHBondContact OD1-OG1 3.5Å; N10-G14 WeakPolarHBondContact O-CA 3.34Å; N10-G14 PolarHBondContact O-N 2.92Å
11Y92.6Very high95.5Very high219 Ų21964.3 Ų64.386%0.85931%0.314SS*.THydrogen-bonded Turntrans-67.9-18.2179.4-68.7-76.3000115.3W8W8-Y11 HydrophobicContact CH2-CD1 4.43Å; W8-Y11 AromaticContact CZ2-CD1 3.87Å; W8-Y11 HydrophobicContact CZ2-CD1 3.87Å; W8-Y11 HydrophobicContact CZ2-CE1 4.15Å; W8-Y11 HydrophobicContact CZ2-CG 4.35Å
12L93.6Very high95.7Very high169 Ų16961 Ų6189%0.88530%0.298SS*.THydrogen-bonded Turntrans-86.2-42.2180-63.4168000112.1N10N10-L12 VanDerWaalsContact C-N 3.27Å; N10-L12 PolarHBondContact O-N 3.23Å; N10-L12 WeakPolarHBondContact OD1-CA 3.38Å; N10-L12 WeakPolarHBondContact OD1-CB 3.47Å; N10-L12 PolarHBondContact OD1-N 3.05Å
13T92.9Very high95.6Very high71 Ų7160.1 Ų60.144%0.43630%0.296SS..THydrogen-bonded Turntrans-103.5-14.6-176.9520000113.5T9 N10 W15 Q16T9-T13 PolarHBondContact OG1-OG1 3.03Å; N10-T13 PolarHBondContact ND2-OG1 3.43Å; N10-T13 PolarHBondContact OD1-N 3.46Å; N10-T13 PolarHBondContact OD1-OG1 3.5Å; T13-W15 PolarHBondContact O-N 2.89Å; T13-Q16 PolarHBondContact O-NE2 2.92Å
14G95.6Very high95.3Very high13 Ų1366 Ų6613%0.13433%0.325CS..  trans60.3-128.8171.600000114.7W8 T9 N10W8-G14 VanDerWaalsContact CE3-C 3.46Å; W8-G14 VanDerWaalsContact CZ3-CA 3.42Å; T9-G14 PolarHBondContact N-O 3.24Å; T9-G14 PolarHBondContact OG1-O 3.44Å; N10-G14 WeakPolarHBondContact O-CA 3.34Å; N10-G14 PolarHBondContact O-N 2.92Å
15W96.5Very high95Very high70 Ų7063.6 Ų63.627%0.26531%0.311SS..EExtended strand (participates in β ladder)trans-87.1116.3179.1-69.4103.4000110.6Y6 W8 T13 Y72 K74Y6-W15 WeakPolarHBondContact O-CZ3 3.15Å; W8-W15 HydrophobicContact CB-CE3 4.15Å; W8-W15 HydrophobicContact CB-CH2 4.24Å; W8-W15 HydrophobicContact CB-CZ3 3.98Å; W8-W15 AromaticContact CE3-CD1 3.71Å; W8-W15 AromaticContact CE3-CD2 3.86Å; W8-W15 HydrophobicContact CE3-CD2 3.86Å; W8-W15 AromaticContact CE3-CE2 3.67Å; W8-W15 AromaticContact CE3-CG 3.9Å; W8-W15 HydrophobicContact CE3-CG 3.9Å; W8-W15 HydrophobicContact CE3-CZ2 4.27Å; W8-W15 AromaticContact CE3-NE1 3.55Å; W8-W15 AromaticContact CZ3-CD1 3.72Å; W8-W15 HydrophobicContact CZ3-CG 4.31Å; W8-W15 AromaticContact CZ3-NE1 3.66Å; T13-W15 PolarHBondContact O-N 2.89Å; W15-Y72 WeakPolarHBondContact CZ3-O 3.18Å; W15-K74 HydrophobicContact CD2-CB 4.47Å; W15-K74 HydrophobicContact CE3-CB 3.96Å; W15-K74 HydrophobicContact CH2-CB 4.06Å; W15-K74 HydrophobicContact CZ3-CB 3.74Å
16Q96.6Very high94.9Very high70 Ų7066.7 Ų66.733%0.32733%0.327SS..EExtended strand (participates in β ladder)trans-113.5127.6-178.8-69.3-64.5-45.500110.3Y6 K7 T9 T13Y6-Q16 CarbonylContact C-O 3.54Å; Y6-Q16 WeakPolarHBondContact CA-O 3.46Å; K7-Q16 PolarHBondContact N-O 2.84Å; K7-Q16 PolarHBondContact O-N 3.24Å; T9-Q16 HydrophobicContact CG2-CB 3.99Å; T9-Q16 HydrophobicContact CG2-CG 3.86Å; T13-Q16 PolarHBondContact O-NE2 2.92Å
17P96.5Very high94.8Very high62 Ų6263 Ų6340%0.40331%0.312SS..EExtended strand (participates in β ladder)trans-64.2137.5175.228.9-33.6000109.4V4 Y6V4-P17 HydrophobicContact CG1-CB 3.93Å; Y6-P17 HydrophobicContact CD1-CB 4.01Å; Y6-P17 HydrophobicContact CE1-CB 3.79Å; Y6-P17 HydrophobicContact CE1-CG 4.25Å
18R96.6Very high94.8Very high61 Ų6162.7 Ų62.723%0.2331%0.313CS..EExtended strand (participates in β ladder)trans-140.7145.8174.3-64.8-61.7174.9126.5-19.6109.3V4 L5 K7 F20 Y29 Y30 D31V4-R18 WeakPolarHBondContact CA-O 3.46Å; L5-R18 PolarHBondContact N-O 3.41Å; L5-R18 PolarHBondContact O-N 2.94Å; K7-R18 HydrophobicContact CB-CG 4.32Å; R18-F20 HydrophobicContact CB-CD2 4.11Å; R18-F20 HydrophobicContact CB-CE2 3.72Å; R18-F20 WeakPolarHBondContact O-CD2 3.43Å; R18-Y29 HydrophobicContact CB-CD2 4.35Å; R18-Y29 HydrophobicContact CG-CD2 4.23Å; R18-Y30 VanDerWaalsContact CD-O 3.28Å; R18-Y30 WeakPolarHBondContact CD-O 3.45Å; R18-D31 IonicContact CZ-OD1 3.21Å; R18-D31 IonicContact NH1-OD1 2.63Å; R18-D31 PolarHBondContact NH1-OD1 3.49Å; R18-D31 IonicContact NH2-OD1 3.45Å; R18-D31 PolarHBondContact NH2-OD1 3.19Å
19W96.6Very high94.8Very high29 Ų2961 Ų6111%0.1131%0.307CS..EExtended strand (participates in β ladder)trans-78.7125.1170.1-171.4-107000108.9E2 V4 Y29 Y30 Q33E2-W19 HydrophobicContact CB-CZ2 3.76Å; E2-W19 HydrophobicContact CG-CH2 4.47Å; E2-W19 HydrophobicContact CG-CZ2 3.75Å; V4-W19 HydrophobicContact CG2-CE3 3.81Å; V4-W19 HydrophobicContact CG2-CZ3 4.1Å; W19-Y29 CarbonylContact O-C 3.55Å; W19-Y29 VanDerWaalsContact O-CA 3.26Å; W19-Y29 WeakPolarHBondContact O-CA 3.34Å; W19-Y30 PolarHBondContact N-O 3.43Å; W19-Y30 PolarHBondContact O-N 3.4Å; W19-Q33 HydrophobicContact CD2-CB 3.75Å; W19-Q33 HydrophobicContact CD2-CG 4.01Å; W19-Q33 HydrophobicContact CE3-CB 4.01Å; W19-Q33 HydrophobicContact CE3-CG 4.42Å; W19-Q33 HydrophobicContact CG-CB 4.03Å; W19-Q33 VanDerWaalsContact CH2-CD 3.49Å; W19-Q33 HydrophobicContact CH2-CG 4.18Å; W19-Q33 HydrophobicContact CZ2-CB 4.36Å; W19-Q33 VanDerWaalsContact CZ2-CD 3.44Å; W19-Q33 HydrophobicContact CZ2-CG 3.74Å; W19-Q33 HydrophobicContact CZ3-CB 4.41Å; W19-Q33 HydrophobicContact CZ3-CG 4.49Å
20F97Very high94.9Very high1 Ų159.8 Ų59.80%0.00430%0.297CS..EExtended strand (participates in β ladder)trans-112.3140.4176.1-79.2-99.4000109.8E2 G3 L5 K7 R18 L27 S28 Y29 M73 W84E2-F20 CarbonylContact C-O 3.58Å; E2-F20 WeakPolarHBondContact CA-O 3.3Å; G3-F20 PolarHBondContact N-O 2.88Å; G3-F20 PolarHBondContact O-N 3.42Å; L5-F20 HydrophobicContact CB-CD2 3.58Å; L5-F20 HydrophobicContact CB-CE2 3.67Å; L5-F20 HydrophobicContact CB-CG 4.41Å; L5-F20 HydrophobicContact CD1-CB 4.48Å; L5-F20 HydrophobicContact CD1-CD2 4.15Å; L5-F20 HydrophobicContact CD1-CE2 4.48Å; L5-F20 HydrophobicContact CD1-CG 4.18Å; L5-F20 HydrophobicContact CG-CD2 4.18Å; K7-F20 HydrophobicContact CB-CE2 4.42Å; K7-F20 HydrophobicContact CB-CZ 4.27Å; R18-F20 HydrophobicContact CB-CD2 4.11Å; R18-F20 HydrophobicContact CB-CE2 3.72Å; R18-F20 WeakPolarHBondContact O-CD2 3.43Å; F20-L27 HydrophobicContact CB-CD1 4.21Å; F20-L27 HydrophobicContact CD1-CD1 3.93Å; F20-L27 HydrophobicContact CD1-CD2 3.98Å; F20-L27 HydrophobicContact CD1-CG 3.87Å; F20-L27 HydrophobicContact CE1-CD2 4.24Å; F20-L27 HydrophobicContact CE1-CG 4.48Å; F20-S28 WeakPolarHBondContact CA-O 3.41Å; F20-Y29 HydrophobicContact CE1-CD1 4.48Å; F20-Y29 HydrophobicContact CE1-CG 4.22Å; F20-Y29 HydrophobicContact CZ-CG 4.33Å; F20-M73 HydrophobicContact CE1-CE 4.01Å; F20-M73 HydrophobicContact CZ-CE 4.27Å; F20-W84 HydrophobicContact CB-CH2 3.58Å; F20-W84 HydrophobicContact CB-CZ2 3.89Å; F20-W84 HydrophobicContact CB-CZ3 4.41Å
21V96.4Very high94.8Very high24 Ų2459.5 Ų59.515%0.14530%0.296CS..EExtended strand (participates in β ladder)trans-129.8116.8174.8-1760000107.9E2 D23 S28 Y30 V36E2-V21 HydrophobicContact CB-CG1 4.5Å; E2-V21 HydrophobicContact CB-CG2 4.08Å; V21-D23 HydrophobicContact CG1-CB 4.48Å; V21-S28 PolarHBondContact N-O 3Å; V21-S28 PolarHBondContact O-N 3.32Å; V21-Y30 HydrophobicContact CB-CE2 4.11Å; V21-Y30 HydrophobicContact CG2-CD2 4.23Å; V21-Y30 HydrophobicContact CG2-CE2 3.77Å; V21-V36 HydrophobicContact CG2-CG2 4.48Å
22L96.2Very high94.7Very high12 Ų1251 Ų516%0.06327%0.268CS..EExtended strand (participates in β ladder)trans-95.9110.3168.5176.865.3000108.7M1 I26 L27 M46 W84 A87 L88M1-L22 HydrophobicContact CB-CB 4.42Å; M1-L22 PolarHBondContact N-O 2.98Å; M1-L22 PolarHBondContact O-N 3.07Å; L22-I26 WeakPolarHBondContact CA-O 3.41Å; L22-L27 HydrophobicContact CB-CD1 3.89Å; L22-L27 HydrophobicContact CD1-CB 4.18Å; L22-M46 HydrophobicContact CD1-CG 3.71Å; L22-M46 HydrophobicContact CD1-SD 4.46Å; L22-W84 HydrophobicContact CB-CZ3 4.05Å; L22-A87 HydrophobicContact CD2-CB 3.89Å; L22-A87 WeakPolarHBondContact CD2-O 3.3Å; L22-L88 HydrophobicContact CD1-CD2 4.17Å; L22-L88 HydrophobicContact CD2-CD2 3.94Å; L22-L88 HydrophobicContact CD2-CG 4.32Å
23D93.2Very high94.5Very high92 Ų9248 Ų4849%0.49225%0.249SC..EExtended strand (participates in β ladder)trans-134.3139.8176.3179.350.1000110.5V21 G25 I26V21-D23 HydrophobicContact CG1-CB 4.48Å; D23-G25 PolarHBondContact O-N 3.31Å; D23-I26 PolarHBondContact N-O 3.5Å; D23-I26 WeakPolarHBondContact O-CA 3.08Å; D23-I26 PolarHBondContact O-N 3.5Å
24N89.2Confident94.2Very high139 Ų13951.1 Ų51.174%0.74326%0.264SS*.THydrogen-bonded Turntrans45.736.7171.9-69.3-51.4000116.6
25G91.8Very high93.7Very high4 Ų451.9 Ų51.94%0.04127%0.265CS..THydrogen-bonded Turntrans82.77.3-178.300000115.5D23 M46 S91D23-G25 PolarHBondContact O-N 3.31Å; G25-M46 WeakPolarHBondContact O-CB 3.15Å; G25-M46 PolarHBondContact O-N 2.93Å; G25-S91 WeakPolarHBondContact CA-OG 3.27Å
26I94.8Very high92.9Very high65 Ų6551.1 Ų51.133%0.33327%0.268SS..EExtended strand (participates in β ladder)trans-121.5123.9-179.3-55.6179.5000108.9L22 D23 I44 K45L22-I26 WeakPolarHBondContact CA-O 3.41Å; D23-I26 PolarHBondContact N-O 3.5Å; D23-I26 WeakPolarHBondContact O-CA 3.08Å; D23-I26 PolarHBondContact O-N 3.5Å; I26-I44 CarbonylContact C-O 3.54Å; I26-I44 WeakPolarHBondContact CA-O 3.43Å; I26-K45 HydrophobicContact CG1-CG 4.49Å
27L96.3Very high91.9Very high1 Ų154 Ų541%0.00529%0.294CS..EExtended strand (participates in β ladder)trans-96.7102.9172.1-179.170.3000109.5F20 L22 S43 I44 M46 L63 M73 W84 L88F20-L27 HydrophobicContact CB-CD1 4.21Å; F20-L27 HydrophobicContact CD1-CD1 3.93Å; F20-L27 HydrophobicContact CD1-CD2 3.98Å; F20-L27 HydrophobicContact CD1-CG 3.87Å; F20-L27 HydrophobicContact CE1-CD2 4.24Å; F20-L27 HydrophobicContact CE1-CG 4.48Å; L22-L27 HydrophobicContact CB-CD1 3.89Å; L22-L27 HydrophobicContact CD1-CB 4.18Å; L27-S43 CarbonylContact O-C 3.57Å; L27-S43 WeakPolarHBondContact O-CA 3.42Å; L27-I44 HydrophobicContact CB-CB 4.43Å; L27-I44 PolarHBondContact N-O 3.09Å; L27-I44 PolarHBondContact O-N 2.89Å; L27-M46 HydrophobicContact CB-SD 3.87Å; L27-L63 HydrophobicContact CD2-CD1 3.4Å; L27-L63 VanDerWaalsContact CD2-CD1 3.4Å; L27-M73 HydrophobicContact CD2-CE 4.03Å; L27-W84 HydrophobicContact CD1-CH2 4.26Å; L27-W84 HydrophobicContact CD1-CZ3 3.71Å; L27-L88 HydrophobicContact CB-CD2 4.48Å; L27-L88 HydrophobicContact CD1-CD2 4.18Å; L27-L88 HydrophobicContact CD2-CD2 3.92Å; L27-L88 HydrophobicContact CG-CD2 4.43Å
28S95.9Very high91.3Very high19 Ų1958.8 Ų58.813%0.13331%0.308CS..EExtended strand (participates in β ladder)trans-95.1150.4176-65.70000111.4F20 V21 G42 S43F20-S28 WeakPolarHBondContact CA-O 3.41Å; V21-S28 PolarHBondContact N-O 3Å; V21-S28 PolarHBondContact O-N 3.32Å; S28-G42 WeakPolarHBondContact CA-O 3.46Å; S28-S43 WeakPolarHBondContact OG-CB 3.34Å
29Y95.5Very high90.6Very high37 Ų3757.9 Ų57.915%0.14532%0.319CS..EExtended strand (participates in β ladder)trans-132.7151.9172.880.1-84.7000113.7K7 R18 W19 F20 K41 G42 F71K7-Y29 HydrophobicContact CD-CE2 4.35Å; R18-Y29 HydrophobicContact CB-CD2 4.35Å; R18-Y29 HydrophobicContact CG-CD2 4.23Å; W19-Y29 CarbonylContact O-C 3.55Å; W19-Y29 VanDerWaalsContact O-CA 3.26Å; W19-Y29 WeakPolarHBondContact O-CA 3.34Å; F20-Y29 HydrophobicContact CE1-CD1 4.48Å; F20-Y29 HydrophobicContact CE1-CG 4.22Å; F20-Y29 HydrophobicContact CZ-CG 4.33Å; Y29-K41 HydrophobicContact CD2-CB 4.03Å; Y29-K41 HydrophobicContact CE2-CB 3.54Å; Y29-K41 HydrophobicContact CE2-CG 4.49Å; Y29-K41 PolarHBondContact O-N 3.41Å; Y29-K41 PolarHBondContact OH-O 2.99Å; Y29-G42 VanDerWaalsContact CD1-O 3.32Å; Y29-G42 WeakPolarHBondContact CD1-O 3.45Å; Y29-G42 PolarHBondContact N-O 3.25Å; Y29-F71 HydrophobicContact CE1-CE1 4.49Å
30Y95.3Very high90.3Very high27 Ų2759.1 Ų59.111%0.10633%0.331CS..EExtended strand (participates in β ladder)trans-134.4164.5-171.2-52.4-95.3000109.8R18 W19 V21 S32 V36 S40R18-Y30 VanDerWaalsContact CD-O 3.28Å; R18-Y30 WeakPolarHBondContact CD-O 3.45Å; W19-Y30 PolarHBondContact N-O 3.43Å; W19-Y30 PolarHBondContact O-N 3.4Å; V21-Y30 HydrophobicContact CB-CE2 4.11Å; V21-Y30 HydrophobicContact CG2-CD2 4.23Å; V21-Y30 HydrophobicContact CG2-CE2 3.77Å; Y30-S32 WeakPolarHBondContact CB-O 3.24Å; Y30-V36 HydrophobicContact CD1-CB 4.38Å; Y30-V36 HydrophobicContact CD1-CG2 4.13Å; Y30-V36 HydrophobicContact CD2-CG2 3.91Å; Y30-V36 HydrophobicContact CE1-CB 4.26Å; Y30-V36 HydrophobicContact CE1-CG1 4.27Å; Y30-V36 HydrophobicContact CE1-CG2 4.23Å; Y30-V36 HydrophobicContact CE2-CG2 4.06Å; Y30-V36 HydrophobicContact CG-CG2 3.96Å; Y30-S40 VanDerWaalsContact CE1-CA 3.43Å
31D91.4Very high90.1Very high65 Ų6564.5 Ų64.535%0.34836%0.355SS..SBendtrans-68.4-48.6175.1-71.3-16.9000110.2R18 D35 K41R18-D31 IonicContact CZ-OD1 3.21Å; R18-D31 IonicContact NH1-OD1 2.63Å; R18-D31 PolarHBondContact NH1-OD1 3.49Å; R18-D31 IonicContact NH2-OD1 3.45Å; R18-D31 PolarHBondContact NH2-OD1 3.19Å; D31-D35 WeakPolarHBondContact CB-OD2 3.46Å; D31-K41 WeakPolarHBondContact OD1-CE 3.49Å; D31-K41 IonicContact OD1-NZ 2.65Å; D31-K41 WeakPolarHBondContact OD2-CE 3.3Å; D31-K41 IonicContact OD2-NZ 3.59Å; D31-K41 PolarHBondContact OD2-NZ 3.42Å
32S90.3Very high89.9Confident41 Ų4164.4 Ų64.429%0.28736%0.359SS..SBendtrans-135.8176.1172.273.40000112.4Y30 D34 D35Y30-S32 WeakPolarHBondContact CB-O 3.24Å; S32-D34 PolarHBondContact OG-N 3.18Å; S32-D35 WeakPolarHBondContact CB-OD2 3.47Å; S32-D35 PolarHBondContact N-OD2 3.05Å; S32-D35 PolarHBondContact O-N 3.49Å; S32-D35 PolarHBondContact OG-N 2.8Å; S32-D35 PolarHBondContact OG-OD2 2.97Å
33Q89.6Confident89.8Confident104 Ų10467.4 Ų67.449%0.48638%0.381SS..SBendtrans-66.2-36.7175.3-175.9171.82.600112W19 D35 V36W19-Q33 HydrophobicContact CD2-CB 3.75Å; W19-Q33 HydrophobicContact CD2-CG 4.01Å; W19-Q33 HydrophobicContact CE3-CB 4.01Å; W19-Q33 HydrophobicContact CE3-CG 4.42Å; W19-Q33 HydrophobicContact CG-CB 4.03Å; W19-Q33 VanDerWaalsContact CH2-CD 3.49Å; W19-Q33 HydrophobicContact CH2-CG 4.18Å; W19-Q33 HydrophobicContact CZ2-CB 4.36Å; W19-Q33 VanDerWaalsContact CZ2-CD 3.44Å; W19-Q33 HydrophobicContact CZ2-CG 3.74Å; W19-Q33 HydrophobicContact CZ3-CB 4.41Å; W19-Q33 HydrophobicContact CZ3-CG 4.49Å; Q33-D35 PolarHBondContact O-N 3.08Å; Q33-V36 VanDerWaalsContact O-CG2 3.24Å; Q33-V36 WeakPolarHBondContact O-CG2 3.4Å; Q33-V36 PolarHBondContact O-N 2.83Å
34D87.3Confident89.8Confident138 Ų13863.2 Ų63.274%0.73836%0.358SS*.G310 helixtrans-71.8-17.7178.8-54.3-48.5000112.6S32 V36S32-D34 PolarHBondContact OG-N 3.18Å; D34-V36 VanDerWaalsContact C-N 3.3Å; D34-V36 PolarHBondContact O-N 2.99Å
35D84.4Confident90Very high28 Ų2863.4 Ų63.415%0.1535%0.353CS..G310 helixtrans-82.2-1.3177.8-62.3-50.5000113.7D31 S32 Q33 C37 K38D31-D35 WeakPolarHBondContact CB-OD2 3.46Å; S32-D35 WeakPolarHBondContact CB-OD2 3.47Å; S32-D35 PolarHBondContact N-OD2 3.05Å; S32-D35 PolarHBondContact O-N 3.49Å; S32-D35 PolarHBondContact OG-N 2.8Å; S32-D35 PolarHBondContact OG-OD2 2.97Å; Q33-D35 PolarHBondContact O-N 3.08Å; D35-C37 PolarHBondContact O-N 3.42Å; D35-K38 HydrophobicContact CB-CD 4.38Å; D35-K38 WeakPolarHBondContact O-CB 3.47Å; D35-K38 PolarHBondContact O-N 3.34Å; D35-K38 VanDerWaalsContact OD1-CD 3.3Å; D35-K38 WeakPolarHBondContact OD1-CD 3.44Å; D35-K38 VanDerWaalsContact OD1-CE 3.28Å; D35-K38 WeakPolarHBondContact OD1-CE 3.41Å; D35-K38 IonicContact OD1-NZ 2.66Å; D35-K38 PolarHBondContact OD1-NZ 3.47Å
36V79.6Confident90.1Very high55 Ų5563.2 Ų63.233%0.33335%0.351SS..G310 helixtrans-56.5-36.9178.9172.20000111.6V21 Y30 Q33 D34 K38V21-V36 HydrophobicContact CG2-CG2 4.48Å; Y30-V36 HydrophobicContact CD1-CB 4.38Å; Y30-V36 HydrophobicContact CD1-CG2 4.13Å; Y30-V36 HydrophobicContact CD2-CG2 3.91Å; Y30-V36 HydrophobicContact CE1-CB 4.26Å; Y30-V36 HydrophobicContact CE1-CG1 4.27Å; Y30-V36 HydrophobicContact CE1-CG2 4.23Å; Y30-V36 HydrophobicContact CE2-CG2 4.06Å; Y30-V36 HydrophobicContact CG-CG2 3.96Å; Q33-V36 VanDerWaalsContact O-CG2 3.24Å; Q33-V36 WeakPolarHBondContact O-CG2 3.4Å; Q33-V36 PolarHBondContact O-N 2.83Å; D34-V36 VanDerWaalsContact C-N 3.3Å; D34-V36 PolarHBondContact O-N 2.99Å; V36-K38 VanDerWaalsContact C-N 3.26Å; V36-K38 PolarHBondContact O-N 3.05Å
37C77.2Confident89.9Confident130 Ų13062.9 Ų62.988%0.87836%0.358SS*.G310 helixtrans-71.8-11.8175.8-59.10000114.7D35D35-C37 PolarHBondContact O-N 3.42Å
38K83.1Confident89.6Confident162 Ų16266.8 Ų66.870%0.70438%0.381SS*.G310 helixtrans-94.5-0.9-179.1-56.7179.9-167161.10113.2D35 V36D35-K38 HydrophobicContact CB-CD 4.38Å; D35-K38 WeakPolarHBondContact O-CB 3.47Å; D35-K38 PolarHBondContact O-N 3.34Å; D35-K38 VanDerWaalsContact OD1-CD 3.3Å; D35-K38 WeakPolarHBondContact OD1-CD 3.44Å; D35-K38 VanDerWaalsContact OD1-CE 3.28Å; D35-K38 WeakPolarHBondContact OD1-CE 3.41Å; D35-K38 IonicContact OD1-NZ 2.66Å; D35-K38 PolarHBondContact OD1-NZ 3.47Å; V36-K38 VanDerWaalsContact C-N 3.26Å; V36-K38 PolarHBondContact O-N 3.05Å
39G82.4Confident89.4Confident43 Ų4365.9 Ų65.944%0.44338%0.375SS..  trans94.7150.9-176.500000113.5
40S90.3Very high89.3Confident54 Ų5469.3 Ų69.338%0.37839%0.392SS..  trans-73144.6-179.557.30000112.1Y30 G42Y30-S40 VanDerWaalsContact CE1-CA 3.43Å; S40-G42 PolarHBondContact O-N 2.88Å
41K92.2Very high89.3Confident114 Ų11470.3 Ų70.350%0.49640%0.399SS..SBendtrans-76-14.7171.9-63-69.3174.9144.10113.1Y29 D31Y29-K41 HydrophobicContact CD2-CB 4.03Å; Y29-K41 HydrophobicContact CE2-CB 3.54Å; Y29-K41 HydrophobicContact CE2-CG 4.49Å; Y29-K41 PolarHBondContact O-N 3.41Å; Y29-K41 PolarHBondContact OH-O 2.99Å; D31-K41 WeakPolarHBondContact OD1-CE 3.49Å; D31-K41 IonicContact OD1-NZ 2.65Å; D31-K41 WeakPolarHBondContact OD2-CE 3.3Å; D31-K41 IonicContact OD2-NZ 3.59Å; D31-K41 PolarHBondContact OD2-NZ 3.42Å
42G91.8Very high89.6Confident23 Ų2372.4 Ų72.424%0.23741%0.405CS..EExtended strand (participates in β ladder)trans17316117300000110S28 Y29 S40S28-G42 WeakPolarHBondContact CA-O 3.46Å; Y29-G42 VanDerWaalsContact CD1-O 3.32Å; Y29-G42 WeakPolarHBondContact CD1-O 3.45Å; Y29-G42 PolarHBondContact N-O 3.25Å; S40-G42 PolarHBondContact O-N 2.88Å
43S93.4Very high89.9Confident74 Ų7474.2 Ų74.252%0.51741%0.414SS..EExtended strand (participates in β ladder)trans-142.6145.3-178.759.90000110.9L27 S28L27-S43 CarbonylContact O-C 3.57Å; L27-S43 WeakPolarHBondContact O-CA 3.42Å; S28-S43 WeakPolarHBondContact OG-CB 3.34Å
44I94.1Very high90.1Very high4 Ų472.4 Ų72.42%0.02141%0.405CS..EExtended strand (participates in β ladder)trans-122124.6-176.5-57.5172.7000108.3I26 L27 M46 C49 L63 I65 F71I26-I44 CarbonylContact C-O 3.54Å; I26-I44 WeakPolarHBondContact CA-O 3.43Å; L27-I44 HydrophobicContact CB-CB 4.43Å; L27-I44 PolarHBondContact N-O 3.09Å; L27-I44 PolarHBondContact O-N 2.89Å; I44-M46 PolarHBondContact O-N 3.14Å; I44-C49 HydrophobicContact CG2-CB 3.95Å; I44-L63 HydrophobicContact CD1-CD1 4.32Å; I44-I65 HydrophobicContact CB-CD1 4.49Å; I44-I65 HydrophobicContact CG1-CD1 4.21Å; I44-I65 HydrophobicContact CG2-CD1 3.78Å; I44-I65 HydrophobicContact CG2-CG1 4.12Å; I44-F71 HydrophobicContact CD1-CB 4.43Å; I44-F71 HydrophobicContact CD1-CD1 3.87Å; I44-F71 HydrophobicContact CD1-CD2 3.58Å; I44-F71 HydrophobicContact CD1-CE1 3.95Å; I44-F71 HydrophobicContact CD1-CE2 3.65Å; I44-F71 HydrophobicContact CD1-CG 3.71Å; I44-F71 HydrophobicContact CD1-CZ 3.84Å; I44-F71 HydrophobicContact CG1-CD2 4.46Å; I44-F71 HydrophobicContact CG1-CE2 4.06Å; I44-F71 HydrophobicContact CG1-CZ 4.11Å
45K93.1Very high90.4Very high144 Ų14471.7 Ų71.763%0.62641%0.411SS*.EExtended strand (participates in β ladder)trans-76.8116.7172.1-70178.4-179.3175.10109.5I26 A47 V48I26-K45 HydrophobicContact CG1-CG 4.49Å; K45-A47 PolarHBondContact O-N 2.86Å; K45-V48 HydrophobicContact CB-CG2 4.18Å; K45-V48 WeakPolarHBondContact O-CG2 3.48Å; K45-V48 PolarHBondContact O-N 3.1Å
46M94.3Very high90.8Very high0 Ų074.7 Ų74.70%044%0.44CS..G310 helixtrans-64.8-24.8-176.6-65.5-51.4-52.900113.6L22 G25 L27 I44 V48 C49 I51 L63 L88 K92 L95L22-M46 HydrophobicContact CD1-CG 3.71Å; L22-M46 HydrophobicContact CD1-SD 4.46Å; G25-M46 WeakPolarHBondContact O-CB 3.15Å; G25-M46 PolarHBondContact O-N 2.93Å; L27-M46 HydrophobicContact CB-SD 3.87Å; I44-M46 PolarHBondContact O-N 3.14Å; M46-V48 VanDerWaalsContact C-N 3.31Å; M46-V48 PolarHBondContact O-N 3.49Å; M46-C49 PolarHBondContact O-N 3.01Å; M46-I51 HydrophobicContact CE-CD1 4.04Å; M46-I51 HydrophobicContact CE-CG1 4.15Å; M46-L63 HydrophobicContact CE-CD2 4.38Å; M46-L88 HydrophobicContact CE-CB 3.92Å; M46-L88 HydrophobicContact CE-CD2 3.6Å; M46-L88 HydrophobicContact CE-CG 4.32Å; M46-L88 HydrophobicContact CG-CD2 4.46Å; M46-L88 HydrophobicContact SD-CD2 3.59Å; M46-L88 VanDerWaalsContact SD-CD2 3.59Å; M46-K92 WeakPolarHBondContact O-CG 3.32Å; M46-L95 HydrophobicContact CB-CD1 4.22Å
47A90.3Very high91.5Very high58 Ų5873.5 Ų73.548%0.47943%0.432SS..G310 helixtrans-56.7-41.717600000113.2K45 L95K45-A47 PolarHBondContact O-N 2.86Å; A47-L95 HydrophobicContact CB-CB 4.48Å; A47-L95 HydrophobicContact CB-CD1 3.81Å
48V89.9Confident92.4Very high83 Ų8372 Ų7250%0.50342%0.415SS..G310 helixtrans-95.1-4.8-175.6-59.70000113.3K45 M46 I65 P66K45-V48 HydrophobicContact CB-CG2 4.18Å; K45-V48 WeakPolarHBondContact O-CG2 3.48Å; K45-V48 PolarHBondContact O-N 3.1Å; M46-V48 VanDerWaalsContact C-N 3.31Å; M46-V48 PolarHBondContact O-N 3.49Å; V48-I65 HydrophobicContact CG2-CG2 4.26Å; V48-P66 VanDerWaalsContact O-CD 3.3Å; V48-P66 WeakPolarHBondContact O-CD 3.33Å
49C91.5Very high93.1Very high0 Ų065 Ų650%039%0.386CS..  trans-97.1133.5-172.8-174.90000112.1I44 M46 L63 I64 K92I44-C49 HydrophobicContact CG2-CB 3.95Å; M46-C49 PolarHBondContact O-N 3.01Å; C49-L63 VanDerWaalsContact SG-CB 3.57Å; C49-I64 CarbonylContact C-O 3.55Å; C49-I64 WeakPolarHBondContact CA-O 3.29Å; C49-I64 PolarHBondContact SG-O 3Å; C49-K92 WeakPolarHBondContact O-CD 3.44Å; C49-K92 WeakPolarHBondContact O-CE 3.5Å; C49-K92 PolarHBondContact O-NZ 2.94Å
50E94.3Very high93.8Very high108 Ų10867.4 Ų67.451%0.50538%0.382SS..EExtended strand (participates in β ladder)trans-90.8132.9170.3-65.3-176.1179.100111.1L63 I64E50-L63 WeakPolarHBondContact O-CA 3.3Å; E50-I64 HydrophobicContact CB-CB 4.33Å; E50-I64 PolarHBondContact N-O 3.47Å; E50-I64 PolarHBondContact O-N 3.25Å
51I95.7Very high94.1Very high48 Ų4864.9 Ų64.925%0.24636%0.364CS..EExtended strand (participates in β ladder)trans-101112.3-179.9-51.4168.7000107.7M46 L63 L85 L88M46-I51 HydrophobicContact CE-CD1 4.04Å; M46-I51 HydrophobicContact CE-CG1 4.15Å; I51-L63 HydrophobicContact CB-CD2 4.16Å; I51-L63 HydrophobicContact CG1-CD2 3.72Å; I51-L63 HydrophobicContact CG2-CD2 4.1Å; I51-L85 HydrophobicContact CG2-CD2 3.62Å; I51-L88 HydrophobicContact CD1-CB 3.69Å
52K96.3Very high94.3Very high109 Ų10960.9 Ų60.947%0.47435%0.347SS..EExtended strand (participates in β ladder)trans-109.8124.4179.1175.2178.8165.2-140.70110.5E62 I64K52-E62 HydrophobicContact CB-CB 4.12Å; K52-E62 WeakPolarHBondContact CD-OE2 3.11Å; K52-E62 WeakPolarHBondContact CE-OE2 3.36Å; K52-E62 PolarHBondContact N-O 2.94Å; K52-E62 IonicContact NZ-OE1 2.65Å; K52-E62 IonicContact NZ-OE2 3.67Å; K52-E62 PolarHBondContact NZ-OE2 3.25Å; K52-E62 PolarHBondContact O-N 3.02Å; K52-I64 HydrophobicContact CB-CD1 4.27Å; K52-I64 HydrophobicContact CD-CD1 4Å
53V96.5Very high94.5Very high79 Ų7959.8 Ų59.848%0.47934%0.335SS..EExtended strand (participates in β ladder)trans-94.3125.5-175.6-178.50000109S55 L85V53-S55 PolarHBondContact O-N 2.92Å; V53-L85 HydrophobicContact CG1-CD1 4.24Å; V53-L85 HydrophobicContact CG2-CD1 3.99Å; V53-L85 HydrophobicContact CG2-CD2 3.87Å
54H94.8Very high94.6Very high66 Ų6657.4 Ų57.431%0.30632%0.317SS..  trans-72.4125.5176.4-161.3-59.6000110.2A56 D57 R60 R81H54-A56 PolarHBondContact ND1-N 3.08Å; H54-D57 PolarHBondContact ND1-N 3.49Å; H54-R60 HydrophobicContact CB-CB 3.9Å; H54-R81 PolarHBondContact O-NH2 2.85Å
55S92.1Very high94.6Very high123 Ų12357.8 Ų57.886%0.8632%0.319SS*.SBendtrans-70.1-46.3-175.649.70000113V53V53-S55 PolarHBondContact O-N 2.92Å
56A93.8Very high94.6Very high92 Ų9254.6 Ų54.676%0.7631%0.313SS*.SBendtrans-84.6-26.7-17600000116H54H54-A56 PolarHBondContact ND1-N 3.08Å
57D95Very high94.3Very high30 Ų3059 Ų5916%0.1636%0.358CS..  trans-108.8107179.6-174.1-36.9000109.3H54 T59 R60 R81H54-D57 PolarHBondContact ND1-N 3.49Å; D57-T59 PolarHBondContact O-N 3.19Å; D57-T59 VanDerWaalsContact O-N 3.13Å; D57-T59 WeakPolarHBondContact OD1-CA 3.48Å; D57-T59 WeakPolarHBondContact OD1-CB 3.31Å; D57-T59 PolarHBondContact OD1-N 2.97Å; D57-T59 PolarHBondContact OD1-OG1 3.25Å; D57-R60 HydrophobicContact CB-CB 4.15Å; D57-R60 HydrophobicContact CB-CG 4.1Å; D57-R60 PolarHBondContact O-N 3.36Å; D57-R60 PolarHBondContact OD1-N 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.44Å; D57-R60 WeakPolarHBondContact OD2-CG 3.27Å; D57-R60 IonicContact OD2-CZ 3.91Å; D57-R60 IonicContact OD2-NE 2.75Å; D57-R60 PolarHBondContact OD2-NE 2.91Å; D57-R60 IonicContact OD2-NH2 2.71Å; D57-R81 PolarHBondContact O-NH2 3.34Å; D57-R81 VanDerWaalsContact O-NH2 3.1Å
58N95.6Very high94.3Very high99 Ų9963.5 Ų63.553%0.52937%0.369SS..THydrogen-bonded Turntrans-72.75.7-17969.2-1.9000114.3A78 R81N58-A78 HydrophobicContact CB-CB 4.16Å; N58-A78 VanDerWaalsContact O-CA 3.29Å; N58-A78 WeakPolarHBondContact O-CA 3.3Å; N58-A78 WeakPolarHBondContact O-CB 3.14Å; N58-R81 VanDerWaalsContact C-CD 3.44Å; N58-R81 WeakPolarHBondContact O-CD 3.42Å
59T96.8Very high94.3Very high13 Ų1364.1 Ų64.18%0.0837%0.366CS..THydrogen-bonded Turntrans-111.6-17.8172.166.10000113.4D57 K74 A75D57-T59 PolarHBondContact O-N 3.19Å; D57-T59 VanDerWaalsContact O-N 3.13Å; D57-T59 WeakPolarHBondContact OD1-CA 3.48Å; D57-T59 WeakPolarHBondContact OD1-CB 3.31Å; D57-T59 PolarHBondContact OD1-N 2.97Å; D57-T59 PolarHBondContact OD1-OG1 3.25Å; T59-K74 WeakPolarHBondContact O-CA 3.44Å; T59-K74 WeakPolarHBondContact OG1-CD 3.44Å; T59-K74 WeakPolarHBondContact OG1-CE 3.5Å; T59-K74 PolarHBondContact OG1-NZ 2.99Å; T59-A75 PolarHBondContact O-N 2.83Å
60R96.9Very high94.4Very high95 Ų9568.7 Ų68.736%0.35839%0.388SS..EExtended strand (participates in β ladder)trans-94.9146.1-176.5-69.5-177.7-150.7-160.45.3114.2H54 D57 M73 K74 R81H54-R60 HydrophobicContact CB-CB 3.9Å; D57-R60 HydrophobicContact CB-CB 4.15Å; D57-R60 HydrophobicContact CB-CG 4.1Å; D57-R60 PolarHBondContact O-N 3.36Å; D57-R60 PolarHBondContact OD1-N 3.3Å; D57-R60 WeakPolarHBondContact OD2-CD 3.44Å; D57-R60 WeakPolarHBondContact OD2-CG 3.27Å; D57-R60 IonicContact OD2-CZ 3.91Å; D57-R60 IonicContact OD2-NE 2.75Å; D57-R60 PolarHBondContact OD2-NE 2.91Å; D57-R60 IonicContact OD2-NH2 2.71Å; R60-M73 WeakPolarHBondContact CA-O 3.38Å; R60-K74 HydrophobicContact CG-CB 4.22Å; R60-K74 HydrophobicContact CG-CD 4.35Å; R60-K74 HydrophobicContact CG-CG 4.5Å; R60-R81 VanDerWaalsContact O-CZ 3.28Å; R60-R81 PolarHBondContact O-NE 3.22Å; R60-R81 PolarHBondContact O-NH2 2.86Å
61M97.1Very high94.4Very high1 Ų164.3 Ų64.31%0.00537%0.367CS..EExtended strand (participates in β ladder)trans-149.3160.6168.860-155.6158.700109.9L5 M73 R81 W84 L85L5-M61 HydrophobicContact CD1-CE 3.99Å; L5-M61 HydrophobicContact CD2-CE 3.72Å; M61-M73 HydrophobicContact CE-CG 4.31Å; M61-M73 HydrophobicContact CE-SD 3.85Å; M61-M73 HydrophobicContact CG-CG 3.58Å; M61-M73 HydrophobicContact CG-SD 3.81Å; M61-M73 PolarHBondContact N-O 2.86Å; M61-M73 VanDerWaalsContact O-CG 3.25Å; M61-M73 WeakPolarHBondContact O-CG 3.24Å; M61-M73 PolarHBondContact O-N 3.38Å; M61-M73 HydrophobicContact SD-SD 4.36Å; M61-R81 HydrophobicContact CE-CG 4.44Å; M61-R81 HydrophobicContact SD-CG 3.86Å; M61-W84 HydrophobicContact CE-CB 3.7Å; M61-W84 HydrophobicContact CE-CG 4.17Å; M61-W84 HydrophobicContact SD-CB 4.29Å; M61-L85 HydrophobicContact CB-CD2 4.12Å; M61-L85 HydrophobicContact CG-CD2 4.47Å; M61-L85 HydrophobicContact SD-CD2 3.7Å; M61-L85 HydrophobicContact SD-CG 3.86Å
62E96.6Very high94.4Very high29 Ų2966.6 Ų66.614%0.13637%0.373CS..EExtended strand (participates in β ladder)trans-125133.6-177.2-69.7170.4-162.300108.7K52 F71 Y72K52-E62 HydrophobicContact CB-CB 4.12Å; K52-E62 WeakPolarHBondContact CD-OE2 3.11Å; K52-E62 WeakPolarHBondContact CE-OE2 3.36Å; K52-E62 PolarHBondContact N-O 2.94Å; K52-E62 IonicContact NZ-OE1 2.65Å; K52-E62 IonicContact NZ-OE2 3.67Å; K52-E62 PolarHBondContact NZ-OE2 3.25Å; K52-E62 PolarHBondContact O-N 3.02Å; E62-F71 WeakPolarHBondContact CA-O 3.46Å; E62-Y72 HydrophobicContact CG-CD1 3.59Å; E62-Y72 HydrophobicContact CG-CE1 3.97Å; E62-Y72 HydrophobicContact CG-CG 4.47Å
63L96.2Very high94.4Very high0 Ų061.5 Ų61.50%035%0.351CS..EExtended strand (participates in β ladder)trans-107.9117.4168.5-69.5-169.8000108.1L27 I44 M46 C49 E50 I51 F71 M73 L88L27-L63 HydrophobicContact CD2-CD1 3.4Å; L27-L63 VanDerWaalsContact CD2-CD1 3.4Å; I44-L63 HydrophobicContact CD1-CD1 4.32Å; M46-L63 HydrophobicContact CE-CD2 4.38Å; C49-L63 VanDerWaalsContact SG-CB 3.57Å; E50-L63 WeakPolarHBondContact O-CA 3.3Å; I51-L63 HydrophobicContact CB-CD2 4.16Å; I51-L63 HydrophobicContact CG1-CD2 3.72Å; I51-L63 HydrophobicContact CG2-CD2 4.1Å; L63-F71 HydrophobicContact CB-CB 4.11Å; L63-F71 PolarHBondContact N-O 3.01Å; L63-F71 PolarHBondContact O-N 2.82Å; L63-M73 HydrophobicContact CD1-CE 3.44Å; L63-M73 VanDerWaalsContact CD1-CE 3.44Å; L63-M73 HydrophobicContact CD1-SD 3.99Å; L63-M73 HydrophobicContact CG-CE 3.83Å; L63-M73 HydrophobicContact CG-SD 3.89Å; L63-L88 HydrophobicContact CD2-CD1 4.48Å
64I95.9Very high94.5Very high25 Ų2560.6 Ų60.613%0.12834%0.341CS..EExtended strand (participates in β ladder)trans-109.7126.8-176.4-60.1172.8000107.7C49 E50 K52C49-I64 CarbonylContact C-O 3.55Å; C49-I64 WeakPolarHBondContact CA-O 3.29Å; C49-I64 PolarHBondContact SG-O 3Å; E50-I64 HydrophobicContact CB-CB 4.33Å; E50-I64 PolarHBondContact N-O 3.47Å; E50-I64 PolarHBondContact O-N 3.25Å; K52-I64 HydrophobicContact CB-CD1 4.27Å; K52-I64 HydrophobicContact CD-CD1 4Å
65I94.6Very high94.6Very high11 Ų1157.5 Ų57.56%0.05633%0.326CS..EExtended strand (participates in β ladder)trans-107.1108.3170-49.7174.8000106.7I44 V48 G67 E68 Q69 F71I44-I65 HydrophobicContact CB-CD1 4.49Å; I44-I65 HydrophobicContact CG1-CD1 4.21Å; I44-I65 HydrophobicContact CG2-CD1 3.78Å; I44-I65 HydrophobicContact CG2-CG1 4.12Å; V48-I65 HydrophobicContact CG2-CG2 4.26Å; I65-G67 PolarHBondContact O-N 3.03Å; I65-E68 HydrophobicContact CB-CB 4.1Å; I65-E68 HydrophobicContact CG2-CB 3.88Å; I65-E68 HydrophobicContact CG2-CG 4.1Å; I65-E68 WeakPolarHBondContact CG2-OE2 3.35Å; I65-E68 PolarHBondContact O-N 3.48Å; I65-E68 VanDerWaalsContact O-N 3.09Å; I65-Q69 PolarHBondContact N-O 3.38Å; I65-Q69 PolarHBondContact O-N 3.26Å; I65-F71 HydrophobicContact CD1-CD2 4.4Å; I65-F71 HydrophobicContact CD1-CE2 3.83Å
66P92Very high94.8Very high78 Ų7855.4 Ų55.451%0.50631%0.308SS..THydrogen-bonded Turntrans-55.7126.6-177.3-26.435.4000111.8V48 E68V48-P66 VanDerWaalsContact O-CD 3.3Å; V48-P66 WeakPolarHBondContact O-CD 3.33Å; P66-E68 VanDerWaalsContact C-N 3.28Å; P66-E68 PolarHBondContact O-N 3.47Å
67G89.3Confident94.9Very high91 Ų9153.8 Ų53.894%0.93829%0.287SS*.THydrogen-bonded Turntrans80-7.2-179.900000116.2I65I65-G67 PolarHBondContact O-N 3.03Å
68E89.3Confident95Very high154 Ų15454.3 Ų54.372%0.7230%0.295SS*.THydrogen-bonded Turntrans-116.7-78.5-178.5-66.3-179-168.800112.8I65 P66I65-E68 HydrophobicContact CB-CB 4.1Å; I65-E68 HydrophobicContact CG2-CB 3.88Å; I65-E68 HydrophobicContact CG2-CG 4.1Å; I65-E68 WeakPolarHBondContact CG2-OE2 3.35Å; I65-E68 PolarHBondContact O-N 3.48Å; I65-E68 VanDerWaalsContact O-N 3.09Å; P66-E68 VanDerWaalsContact C-N 3.28Å; P66-E68 PolarHBondContact O-N 3.47Å
69Q89.8Confident95.1Very high95 Ų9552.3 Ų52.344%0.44429%0.293SS..EExtended strand (participates in β ladder)trans-152.2146.8-165.6-175.3170.4-1.200113.3I65 F71I65-Q69 PolarHBondContact N-O 3.38Å; I65-Q69 PolarHBondContact O-N 3.26Å; Q69-F71 HydrophobicContact CB-CD2 4.43Å; Q69-F71 HydrophobicContact CB-CE2 3.81Å; Q69-F71 HydrophobicContact CB-CZ 4.49Å; Q69-F71 VanDerWaalsContact CD-CZ 3.42Å; Q69-F71 HydrophobicContact CG-CD2 4Å; Q69-F71 HydrophobicContact CG-CE2 3.56Å; Q69-F71 HydrophobicContact CG-CZ 3.98Å
70H93.8Very high95.1Very high97 Ų9753.6 Ų53.645%0.44930%0.297SS..EExtended strand (participates in β ladder)trans-104.5130.9171.5-69.1-133.5000110.4Y72H70-Y72 HydrophobicContact CB-CE2 3.99Å
71F94.4Very high95.2Very high16 Ų1650.2 Ų50.27%0.0729%0.285CS..EExtended strand (participates in β ladder)trans-115.7102.9177.4-68.9-100.9000109.8K7 Y29 I44 E62 L63 I65 Q69K7-F71 HydrophobicContact CD-CD1 4.44Å; Y29-F71 HydrophobicContact CE1-CE1 4.49Å; I44-F71 HydrophobicContact CD1-CB 4.43Å; I44-F71 HydrophobicContact CD1-CD1 3.87Å; I44-F71 HydrophobicContact CD1-CD2 3.58Å; I44-F71 HydrophobicContact CD1-CE1 3.95Å; I44-F71 HydrophobicContact CD1-CE2 3.65Å; I44-F71 HydrophobicContact CD1-CG 3.71Å; I44-F71 HydrophobicContact CD1-CZ 3.84Å; I44-F71 HydrophobicContact CG1-CD2 4.46Å; I44-F71 HydrophobicContact CG1-CE2 4.06Å; I44-F71 HydrophobicContact CG1-CZ 4.11Å; E62-F71 WeakPolarHBondContact CA-O 3.46Å; L63-F71 HydrophobicContact CB-CB 4.11Å; L63-F71 PolarHBondContact N-O 3.01Å; L63-F71 PolarHBondContact O-N 2.82Å; I65-F71 HydrophobicContact CD1-CD2 4.4Å; I65-F71 HydrophobicContact CD1-CE2 3.83Å; Q69-F71 HydrophobicContact CB-CD2 4.43Å; Q69-F71 HydrophobicContact CB-CE2 3.81Å; Q69-F71 HydrophobicContact CB-CZ 4.49Å; Q69-F71 VanDerWaalsContact CD-CZ 3.42Å; Q69-F71 HydrophobicContact CG-CD2 4Å; Q69-F71 HydrophobicContact CG-CE2 3.56Å; Q69-F71 HydrophobicContact CG-CZ 3.98Å
72Y96.1Very high95.2Very high95 Ų9555.1 Ų55.137%0.37331%0.308SS..EExtended strand (participates in β ladder)trans-81.1124.7170.6-52.2-93.1000108.9W8 W15 E62 H70W8-Y72 PolarHBondContact N-O 3.29Å; W15-Y72 WeakPolarHBondContact CZ3-O 3.18Å; E62-Y72 HydrophobicContact CG-CD1 3.59Å; E62-Y72 HydrophobicContact CG-CE1 3.97Å; E62-Y72 HydrophobicContact CG-CG 4.47Å; H70-Y72 HydrophobicContact CB-CE2 3.99Å
73M96.6Very high95.3Very high2 Ų260.1 Ų60.11%0.0133%0.325CS..EExtended strand (participates in β ladder)trans-133.5148.4-177.449.2170.259.900112.1L5 Y6 F20 L27 R60 M61 L63L5-M73 HydrophobicContact CD1-CE 4.21Å; L5-M73 HydrophobicContact CD1-SD 3.87Å; Y6-M73 CarbonylContact O-C 3.52Å; Y6-M73 VanDerWaalsContact O-CA 3.28Å; Y6-M73 WeakPolarHBondContact O-CA 3.46Å; F20-M73 HydrophobicContact CE1-CE 4.01Å; F20-M73 HydrophobicContact CZ-CE 4.27Å; L27-M73 HydrophobicContact CD2-CE 4.03Å; R60-M73 WeakPolarHBondContact CA-O 3.38Å; M61-M73 HydrophobicContact CE-CG 4.31Å; M61-M73 HydrophobicContact CE-SD 3.85Å; M61-M73 HydrophobicContact CG-CG 3.58Å; M61-M73 HydrophobicContact CG-SD 3.81Å; M61-M73 PolarHBondContact N-O 2.86Å; M61-M73 VanDerWaalsContact O-CG 3.25Å; M61-M73 WeakPolarHBondContact O-CG 3.24Å; M61-M73 PolarHBondContact O-N 3.38Å; M61-M73 HydrophobicContact SD-SD 4.36Å; L63-M73 HydrophobicContact CD1-CE 3.44Å; L63-M73 VanDerWaalsContact CD1-CE 3.44Å; L63-M73 HydrophobicContact CD1-SD 3.99Å; L63-M73 HydrophobicContact CG-CE 3.83Å; L63-M73 HydrophobicContact CG-SD 3.89Å
74K97.1Very high95.3Very high61 Ų6160.3 Ų60.327%0.26533%0.326SS..EExtended strand (participates in β ladder)trans-135.1130.1179.8168.1165.8171.2132.10109.9Y6 W15 T59 R60Y6-K74 PolarHBondContact N-O 3.48Å; Y6-K74 PolarHBondContact O-N 3.46Å; W15-K74 HydrophobicContact CD2-CB 4.47Å; W15-K74 HydrophobicContact CE3-CB 3.96Å; W15-K74 HydrophobicContact CH2-CB 4.06Å; W15-K74 HydrophobicContact CZ3-CB 3.74Å; T59-K74 WeakPolarHBondContact O-CA 3.44Å; T59-K74 WeakPolarHBondContact OG1-CD 3.44Å; T59-K74 WeakPolarHBondContact OG1-CE 3.5Å; T59-K74 PolarHBondContact OG1-NZ 2.99Å; R60-K74 HydrophobicContact CG-CB 4.22Å; R60-K74 HydrophobicContact CG-CD 4.35Å; R60-K74 HydrophobicContact CG-CG 4.5Å
75A97.7Very high95.4Very high0 Ų060.2 Ų60.20%033%0.326CS..  trans-81.3165.6172.300000111.6L5 T59 N77 E80 R81L5-A75 HydrophobicContact CD2-CB 3.78Å; T59-A75 PolarHBondContact O-N 2.83Å; A75-N77 WeakPolarHBondContact CB-O 3.49Å; A75-N77 PolarHBondContact O-N 3.4Å; A75-E80 HydrophobicContact CB-CB 3.82Å; A75-R81 HydrophobicContact CB-CB 3.81Å
76V96.2Very high95.5Very high79 Ų7963.5 Ų63.548%0.47935%0.346SS..SBendtrans-64.9-35.2176.6-172.70000110.3Y6 E80Y6-V76 HydrophobicContact CE2-CG2 4.12Å; V76-E80 WeakPolarHBondContact CB-OE2 3.36Å; V76-E80 WeakPolarHBondContact CG2-OE2 3.41Å; V76-E80 PolarHBondContact N-OE2 3.45Å; V76-E80 VanDerWaalsContact N-OE2 3.08Å
77N96.7Very high95.7Very high59 Ų5960.9 Ų60.932%0.31633%0.331SS..SBendtrans-149.8170.4-179.15772.1000112A75 A79 E80 R81A75-N77 WeakPolarHBondContact CB-O 3.49Å; A75-N77 PolarHBondContact O-N 3.4Å; N77-A79 VanDerWaalsContact C-N 3.32Å; N77-A79 PolarHBondContact O-N 3.4Å; N77-A79 WeakPolarHBondContact OD1-CB 3.37Å; N77-A79 PolarHBondContact OD1-N 3.45Å; N77-E80 VanDerWaalsContact ND2-CD 3.33Å; N77-E80 PolarHBondContact ND2-OE1 3.33Å; N77-E80 PolarHBondContact O-N 2.99Å; N77-E80 PolarHBondContact OD1-N 2.96Å; N77-R81 PolarHBondContact O-N 2.69Å; N77-R81 VanDerWaalsContact O-N 3.09Å
78A97Very high96Very high41 Ų4156.5 Ų56.534%0.33929%0.286SS..Hα-helixtrans-65.4-31.7-178.100000113.7N58 R81 Q82N58-A78 HydrophobicContact CB-CB 4.16Å; N58-A78 VanDerWaalsContact O-CA 3.29Å; N58-A78 WeakPolarHBondContact O-CA 3.3Å; N58-A78 WeakPolarHBondContact O-CB 3.14Å; A78-R81 PolarHBondContact O-N 3.02Å; A78-Q82 PolarHBondContact O-N 3.41Å
79A97.4Very high96.2Very high57 Ų5750.7 Ų50.747%0.47127%0.267SS..Hα-helixtrans-69.1-40.9177.500000111.6N77 Q82 R83N77-A79 VanDerWaalsContact C-N 3.32Å; N77-A79 PolarHBondContact O-N 3.4Å; N77-A79 WeakPolarHBondContact OD1-CB 3.37Å; N77-A79 PolarHBondContact OD1-N 3.45Å; A79-Q82 PolarHBondContact O-N 2.98Å; A79-R83 WeakPolarHBondContact O-CG 3.28Å; A79-R83 PolarHBondContact O-N 3.39Å
80E97.6Very high96.4Very high39 Ų3949.2 Ų49.218%0.18227%0.268CS..Hα-helixtrans-63.1-45.5172-85.3169.9-14700112.7A75 V76 N77 Q82 R83 W84A75-E80 HydrophobicContact CB-CB 3.82Å; V76-E80 WeakPolarHBondContact CB-OE2 3.36Å; V76-E80 WeakPolarHBondContact CG2-OE2 3.41Å; V76-E80 PolarHBondContact N-OE2 3.45Å; V76-E80 VanDerWaalsContact N-OE2 3.08Å; N77-E80 VanDerWaalsContact ND2-CD 3.33Å; N77-E80 PolarHBondContact ND2-OE1 3.33Å; N77-E80 PolarHBondContact O-N 2.99Å; N77-E80 PolarHBondContact OD1-N 2.96Å; E80-Q82 PolarHBondContact O-N 3.34Å; E80-R83 PolarHBondContact O-N 2.98Å; E80-R83 VanDerWaalsContact O-N 3.13Å; E80-W84 VanDerWaalsContact O-CD1 3.28Å; E80-W84 PolarHBondContact O-N 2.99Å
81R97.4Very high96.3Very high24 Ų2445.6 Ų45.69%0.09125%0.253CS..Hα-helixtrans-54-45.7173.5-179.8-163.3-176.5-141.831.6110.2H54 D57 N58 R60 M61 A75 N77 A78 W84 L85H54-R81 PolarHBondContact O-NH2 2.85Å; D57-R81 PolarHBondContact O-NH2 3.34Å; D57-R81 VanDerWaalsContact O-NH2 3.1Å; N58-R81 VanDerWaalsContact C-CD 3.44Å; N58-R81 WeakPolarHBondContact O-CD 3.42Å; R60-R81 VanDerWaalsContact O-CZ 3.28Å; R60-R81 PolarHBondContact O-NE 3.22Å; R60-R81 PolarHBondContact O-NH2 2.86Å; M61-R81 HydrophobicContact CE-CG 4.44Å; M61-R81 HydrophobicContact SD-CG 3.86Å; A75-R81 HydrophobicContact CB-CB 3.81Å; N77-R81 PolarHBondContact O-N 2.69Å; N77-R81 VanDerWaalsContact O-N 3.09Å; A78-R81 PolarHBondContact O-N 3.02Å; R81-W84 PolarHBondContact O-N 3.38Å; R81-L85 HydrophobicContact CG-CD1 3.96Å; R81-L85 HydrophobicContact CG-CG 4.26Å; R81-L85 WeakPolarHBondContact O-CB 3.29Å; R81-L85 VanDerWaalsContact O-CG 3.31Å; R81-L85 WeakPolarHBondContact O-CG 3.48Å; R81-L85 PolarHBondContact O-N 3.38Å
82Q97.9Very high96.2Very high105 Ų10548 Ų4849%0.49126%0.264SS..Hα-helixtrans-63.8-42178.5-169.960.422.600112.2A78 A79 E80 W84 L85 V86A78-Q82 PolarHBondContact O-N 3.41Å; A79-Q82 PolarHBondContact O-N 2.98Å; E80-Q82 PolarHBondContact O-N 3.34Å; Q82-W84 VanDerWaalsContact C-N 3.33Å; Q82-W84 PolarHBondContact O-N 2.91Å; Q82-L85 PolarHBondContact O-N 2.73Å; Q82-V86 WeakPolarHBondContact O-CB 3.38Å; Q82-V86 VanDerWaalsContact O-CG2 3.29Å; Q82-V86 WeakPolarHBondContact O-CG2 3.48Å; Q82-V86 PolarHBondContact O-N 2.77Å
83R97.6Very high95.8Very high133 Ų13345.9 Ų45.950%0.50227%0.265SS..Hα-helixtrans-58.2-44.9173.6-68.5-165.8-59.8-87.718111.7M1 A79 E80 V86 A87M1-R83 HydrophobicContact CE-CB 3.78Å; A79-R83 WeakPolarHBondContact O-CG 3.28Å; A79-R83 PolarHBondContact O-N 3.39Å; E80-R83 PolarHBondContact O-N 2.98Å; E80-R83 VanDerWaalsContact O-N 3.13Å; R83-V86 PolarHBondContact O-N 3.5Å; R83-A87 WeakPolarHBondContact O-CB 3.38Å; R83-A87 PolarHBondContact O-N 3.34Å
84W97.8Very high95Very high4 Ų448.9 Ų48.92%0.01529%0.286CS..Hα-helixtrans-64.4-47.4176.7-83.4110.5000112.3M1 L5 F20 L22 L27 M61 E80 R81 Q82 V86 A87 L88M1-W84 HydrophobicContact CE-CB 4.32Å; M1-W84 HydrophobicContact CE-CD2 3.48Å; M1-W84 VanDerWaalsContact CE-CD2 3.48Å; M1-W84 HydrophobicContact CE-CE3 4.04Å; M1-W84 HydrophobicContact CE-CG 3.58Å; M1-W84 HydrophobicContact CE-CZ2 4.21Å; M1-W84 HydrophobicContact CG-CE3 4.39Å; M1-W84 HydrophobicContact CG-CH2 4.32Å; M1-W84 HydrophobicContact CG-CZ3 4.21Å; M1-W84 HydrophobicContact SD-CD2 3.95Å; M1-W84 HydrophobicContact SD-CE3 3.88Å; M1-W84 HydrophobicContact SD-CG 4.33Å; M1-W84 HydrophobicContact SD-CZ3 4.3Å; L5-W84 HydrophobicContact CD1-CD2 3.89Å; L5-W84 HydrophobicContact CD1-CE3 4.37Å; L5-W84 HydrophobicContact CD1-CG 4.17Å; L5-W84 HydrophobicContact CD1-CZ2 4.24Å; L5-W84 VanDerWaalsContact CD2-CD1 3.5Å; L5-W84 HydrophobicContact CD2-CG 4.12Å; L5-W84 HydrophobicContact CG-CD2 4.33Å; L5-W84 HydrophobicContact CG-CG 4.45Å; L5-W84 HydrophobicContact CG-CZ2 4.25Å; F20-W84 HydrophobicContact CB-CH2 3.58Å; F20-W84 HydrophobicContact CB-CZ2 3.89Å; F20-W84 HydrophobicContact CB-CZ3 4.41Å; L22-W84 HydrophobicContact CB-CZ3 4.05Å; L27-W84 HydrophobicContact CD1-CH2 4.26Å; L27-W84 HydrophobicContact CD1-CZ3 3.71Å; M61-W84 HydrophobicContact CE-CB 3.7Å; M61-W84 HydrophobicContact CE-CG 4.17Å; M61-W84 HydrophobicContact SD-CB 4.29Å; E80-W84 VanDerWaalsContact O-CD1 3.28Å; E80-W84 PolarHBondContact O-N 2.99Å; R81-W84 PolarHBondContact O-N 3.38Å; Q82-W84 VanDerWaalsContact C-N 3.33Å; Q82-W84 PolarHBondContact O-N 2.91Å; W84-V86 VanDerWaalsContact C-N 3.32Å; W84-V86 PolarHBondContact O-N 2.9Å; W84-A87 PolarHBondContact O-N 3.23Å; W84-L88 HydrophobicContact CB-CD1 4.35Å; W84-L88 HydrophobicContact CE3-CD1 4.33Å; W84-L88 HydrophobicContact CE3-CG 4.31Å; W84-L88 VanDerWaalsContact O-CB 3.24Å; W84-L88 WeakPolarHBondContact O-CB 3.33Å; W84-L88 WeakPolarHBondContact O-CD1 3.5Å; W84-L88 WeakPolarHBondContact O-CG 3.29Å; W84-L88 PolarHBondContact O-N 3.36Å
85L96.9Very high93.8Very high23 Ų2348.6 Ų48.612%0.1229%0.287CS..Hα-helixtrans-59-42.5177.1-72.3175.1000112I51 V53 M61 R81 Q82 G89I51-L85 HydrophobicContact CG2-CD2 3.62Å; V53-L85 HydrophobicContact CG1-CD1 4.24Å; V53-L85 HydrophobicContact CG2-CD1 3.99Å; V53-L85 HydrophobicContact CG2-CD2 3.87Å; M61-L85 HydrophobicContact CB-CD2 4.12Å; M61-L85 HydrophobicContact CG-CD2 4.47Å; M61-L85 HydrophobicContact SD-CD2 3.7Å; M61-L85 HydrophobicContact SD-CG 3.86Å; R81-L85 HydrophobicContact CG-CD1 3.96Å; R81-L85 HydrophobicContact CG-CG 4.26Å; R81-L85 WeakPolarHBondContact O-CB 3.29Å; R81-L85 VanDerWaalsContact O-CG 3.31Å; R81-L85 WeakPolarHBondContact O-CG 3.48Å; R81-L85 PolarHBondContact O-N 3.38Å; Q82-L85 PolarHBondContact O-N 2.73Å; L85-G89 PolarHBondContact O-N 2.9Å
86V96.7Very high92.1Very high80 Ų8053 Ų5349%0.48531%0.314SS..Hα-helixtrans-61.7-53.4174.5170.40000110.3Q82 R83 W84 L88 G89 S90Q82-V86 WeakPolarHBondContact O-CB 3.38Å; Q82-V86 VanDerWaalsContact O-CG2 3.29Å; Q82-V86 WeakPolarHBondContact O-CG2 3.48Å; Q82-V86 PolarHBondContact O-N 2.77Å; R83-V86 PolarHBondContact O-N 3.5Å; W84-V86 VanDerWaalsContact C-N 3.32Å; W84-V86 PolarHBondContact O-N 2.9Å; V86-L88 PolarHBondContact O-N 3.47Å; V86-G89 PolarHBondContact O-N 3.35Å; V86-S90 WeakPolarHBondContact O-CB 3.46Å; V86-S90 PolarHBondContact O-N 3.21Å; V86-S90 PolarHBondContact O-OG 3.11Å; V86-S90 VanDerWaalsContact O-OG 3.1Å
87A96Very high90.3Very high23 Ų2353.8 Ų53.819%0.1932%0.316CS..Hα-helixtrans-64.1-41.4-177.100000113.1M1 L22 R83 W84 S91M1-A87 HydrophobicContact CB-CB 4.01Å; M1-A87 HydrophobicContact CG-CB 4.28Å; M1-A87 HydrophobicContact SD-CB 3.33Å; M1-A87 WeakPolarHBondContact SD-CB 3.48Å; L22-A87 HydrophobicContact CD2-CB 3.89Å; L22-A87 WeakPolarHBondContact CD2-O 3.3Å; R83-A87 WeakPolarHBondContact O-CB 3.38Å; R83-A87 PolarHBondContact O-N 3.34Å; W84-A87 PolarHBondContact O-N 3.23Å; A87-S91 WeakPolarHBondContact O-CB 3.26Å; A87-S91 PolarHBondContact O-N 2.95Å
88L96.1Very high88.4Confident0 Ų054.3 Ų54.30%032%0.321CS..Hα-helixtrans-66.3-43.2176.8-67.2165.4000111.3L22 L27 M46 I51 L63 W84 V86 S91 K92L22-L88 HydrophobicContact CD1-CD2 4.17Å; L22-L88 HydrophobicContact CD2-CD2 3.94Å; L22-L88 HydrophobicContact CD2-CG 4.32Å; L27-L88 HydrophobicContact CB-CD2 4.48Å; L27-L88 HydrophobicContact CD1-CD2 4.18Å; L27-L88 HydrophobicContact CD2-CD2 3.92Å; L27-L88 HydrophobicContact CG-CD2 4.43Å; M46-L88 HydrophobicContact CE-CB 3.92Å; M46-L88 HydrophobicContact CE-CD2 3.6Å; M46-L88 HydrophobicContact CE-CG 4.32Å; M46-L88 HydrophobicContact CG-CD2 4.46Å; M46-L88 HydrophobicContact SD-CD2 3.59Å; M46-L88 VanDerWaalsContact SD-CD2 3.59Å; I51-L88 HydrophobicContact CD1-CB 3.69Å; L63-L88 HydrophobicContact CD2-CD1 4.48Å; W84-L88 HydrophobicContact CB-CD1 4.35Å; W84-L88 HydrophobicContact CE3-CD1 4.33Å; W84-L88 HydrophobicContact CE3-CG 4.31Å; W84-L88 VanDerWaalsContact O-CB 3.24Å; W84-L88 WeakPolarHBondContact O-CB 3.33Å; W84-L88 WeakPolarHBondContact O-CD1 3.5Å; W84-L88 WeakPolarHBondContact O-CG 3.29Å; W84-L88 PolarHBondContact O-N 3.36Å; V86-L88 PolarHBondContact O-N 3.47Å; L88-S91 PolarHBondContact O-N 2.88Å; L88-K92 WeakPolarHBondContact O-CB 3.48Å; L88-K92 PolarHBondContact O-N 3Å
89G94.7Very high86.6Confident31 Ų3161.3 Ų61.332%0.3234%0.339SS..Hα-helixtrans-65.2-49.6176.900000112.5L85 V86 S91 K92 A93L85-G89 PolarHBondContact O-N 2.9Å; V86-G89 PolarHBondContact O-N 3.35Å; G89-S91 PolarHBondContact O-N 3.32Å; G89-K92 PolarHBondContact O-N 2.97Å; G89-A93 PolarHBondContact O-N 3.2Å
90S93Very high84.7Confident65 Ų6562.6 Ų62.646%0.45534%0.34SS..Hα-helixtrans-58.5-46173.4-65.20000111.3V86 K92 A93 C94V86-S90 WeakPolarHBondContact O-CB 3.46Å; V86-S90 PolarHBondContact O-N 3.21Å; V86-S90 PolarHBondContact O-OG 3.11Å; V86-S90 VanDerWaalsContact O-OG 3.1Å; S90-K92 VanDerWaalsContact C-N 3.27Å; S90-K92 PolarHBondContact O-N 2.82Å; S90-A93 PolarHBondContact O-N 3.38Å; S90-C94 WeakPolarHBondContact O-CB 3.5Å; S90-C94 PolarHBondContact O-N 3.31Å; S90-C94 PolarHBondContact O-SG 2.95Å
91S91.9Very high82.9Confident21 Ų2167.3 Ų67.315%0.14736%0.361CS..Hα-helixtrans-64-31.2178-173.40000112.9G25 A87 L88 G89 L95G25-S91 WeakPolarHBondContact CA-OG 3.27Å; A87-S91 WeakPolarHBondContact O-CB 3.26Å; A87-S91 PolarHBondContact O-N 2.95Å; L88-S91 PolarHBondContact O-N 2.88Å; G89-S91 PolarHBondContact O-N 3.32Å; S91-L95 WeakPolarHBondContact O-CD1 3.21Å; S91-L95 VanDerWaalsContact O-CG 3.3Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å
92K91.7Very high81.1Confident67 Ų6773 Ų7329%0.29139%0.386SS..Hα-helixtrans-72.1-42.1173.6-176.1172.7-178.9177.50111.6M46 C49 L88 G89 S90 L95M46-K92 WeakPolarHBondContact O-CG 3.32Å; C49-K92 WeakPolarHBondContact O-CD 3.44Å; C49-K92 WeakPolarHBondContact O-CE 3.5Å; C49-K92 PolarHBondContact O-NZ 2.94Å; L88-K92 WeakPolarHBondContact O-CB 3.48Å; L88-K92 PolarHBondContact O-N 3Å; G89-K92 PolarHBondContact O-N 2.97Å; S90-K92 VanDerWaalsContact C-N 3.27Å; S90-K92 PolarHBondContact O-N 2.82Å; K92-L95 PolarHBondContact O-N 3.5Å
93A88.6Confident79.4Confident49 Ų4973.8 Ų73.841%0.40539%0.39SS..Hα-helixtrans-66.4-42.9176.700000112.6G89 S90 L95 T96 D97G89-A93 PolarHBondContact O-N 3.2Å; S90-A93 PolarHBondContact O-N 3.38Å; A93-L95 PolarHBondContact O-N 3.35Å; A93-L95 VanDerWaalsContact O-N 3.07Å; A93-T96 PolarHBondContact O-N 3.47Å; A93-T96 PolarHBondContact O-OG1 3.32Å; A93-D97 PolarHBondContact O-N 2.96Å
94C78.9Confident77.9Confident66 Ų6673.9 Ų73.945%0.44639%0.393SS..Hα-helixtrans-62.9-19.2178.1-650000113.4S90 T98S90-C94 WeakPolarHBondContact O-CB 3.5Å; S90-C94 PolarHBondContact O-N 3.31Å; S90-C94 PolarHBondContact O-SG 2.95Å; C94-T98 VanDerWaalsContact O-CB 3.32Å; C94-T98 WeakPolarHBondContact O-CB 3.42Å; C94-T98 VanDerWaalsContact O-CG2 3.25Å; C94-T98 WeakPolarHBondContact O-CG2 3.37Å; C94-T98 PolarHBondContact O-N 3.41Å; C94-T98 PolarHBondContact O-OG1 2.98Å
95L71.3Confident76.7Confident55 Ų5578.8 Ų78.829%0.28842%0.417SS..Hα-helixtrans-74.9-26.6174.5-68.9165.2000112.8M46 A47 S91 K92 A93M46-L95 HydrophobicContact CB-CD1 4.22Å; A47-L95 HydrophobicContact CB-CB 4.48Å; A47-L95 HydrophobicContact CB-CD1 3.81Å; S91-L95 WeakPolarHBondContact O-CD1 3.21Å; S91-L95 VanDerWaalsContact O-CG 3.3Å; S91-L95 WeakPolarHBondContact O-CG 3.44Å; K92-L95 PolarHBondContact O-N 3.5Å; A93-L95 PolarHBondContact O-N 3.35Å; A93-L95 VanDerWaalsContact O-N 3.07Å
96T61.8Low75.7Confident91 Ų9182.7 Ų82.756%0.55844%0.437SS*.Hα-helixtrans-75.5-40.4169.454.90000110.7A93 T100A93-T96 PolarHBondContact O-N 3.47Å; A93-T96 PolarHBondContact O-OG1 3.32Å; T96-T100 PolarHBondContact O-N 3.29Å; T96-T100 PolarHBondContact O-OG1 3.36Å
97D59Low74.8Confident97 Ų9782 Ų8252%0.51944%0.435SS..Hα-helixtrans-75.1-30.9-177.2-63.9-11.3000113.7A93 R99 T100 K101A93-D97 PolarHBondContact O-N 2.96Å; D97-R99 VanDerWaalsContact C-N 3.35Å; D97-T100 PolarHBondContact O-OG1 3.43Å; D97-T100 VanDerWaalsContact O-OG1 3.08Å; D97-K101 WeakPolarHBondContact O-CB 3.07Å; D97-K101 PolarHBondContact O-N 3.02Å
98T57.9Low74.1Confident69 Ų6986 Ų8642%0.42345%0.45SS..Hα-helixtrans-72.5-29.6176.945.70000112.3C94 K102C94-T98 VanDerWaalsContact O-CB 3.32Å; C94-T98 WeakPolarHBondContact O-CB 3.42Å; C94-T98 VanDerWaalsContact O-CG2 3.25Å; C94-T98 WeakPolarHBondContact O-CG2 3.37Å; C94-T98 PolarHBondContact O-N 3.41Å; C94-T98 PolarHBondContact O-OG1 2.98Å; T98-K102 WeakPolarHBondContact O-CB 3.4Å; T98-K102 WeakPolarHBondContact O-CG 3.1Å; T98-K102 PolarHBondContact O-N 2.83Å
99R58.2Low73.6Confident189 Ų18988.3 Ų88.371%0.71346%0.464SS*.Hα-helixtrans-64.1-54.1171.1179176.3172.7166.3-0.7110.5D97 K101 K102 E103D97-R99 VanDerWaalsContact C-N 3.35Å; R99-K101 PolarHBondContact O-N 2.92Å; R99-K102 PolarHBondContact O-N 3.37Å; R99-E103 VanDerWaalsContact O-CB 3.29Å; R99-E103 WeakPolarHBondContact O-CB 3.3Å; R99-E103 PolarHBondContact O-N 2.87Å
100T57.4Low73.2Confident83 Ų8389 Ų8951%0.50946%0.464SS..Hα-helixtrans-66.5-36.1-179.957.20000112.3T96 D97 E103 K104T96-T100 PolarHBondContact O-N 3.29Å; T96-T100 PolarHBondContact O-OG1 3.36Å; D97-T100 PolarHBondContact O-OG1 3.43Å; D97-T100 VanDerWaalsContact O-OG1 3.08Å; T100-E103 PolarHBondContact O-N 3.13Å; T100-K104 VanDerWaalsContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CB 3.44Å; T100-K104 PolarHBondContact O-N 3.2Å
101K59.3Low73.1Confident139 Ų13990.1 Ų90.160%0.60446%0.462SS*.Hα-helixtrans-64.8-48.5174.5-176.7-179174.4-175.80112.2D97 R99 E103 K104 E105D97-K101 WeakPolarHBondContact O-CB 3.07Å; D97-K101 PolarHBondContact O-N 3.02Å; R99-K101 PolarHBondContact O-N 2.92Å; K101-E103 VanDerWaalsContact C-N 3.31Å; K101-E103 PolarHBondContact O-N 3.05Å; K101-K104 PolarHBondContact O-N 3.37Å; K101-E105 WeakPolarHBondContact O-CB 3.39Å; K101-E105 PolarHBondContact O-N 3.48Å
102K60.9Low73Confident144 Ų14491.7 Ų91.763%0.62647%0.473SS*.Hα-helixtrans-61.4-42.5176.6-78.4-174.7175-172.10111.1T98 R99 K104 E105 I106T98-K102 WeakPolarHBondContact O-CB 3.4Å; T98-K102 WeakPolarHBondContact O-CG 3.1Å; T98-K102 PolarHBondContact O-N 2.83Å; R99-K102 PolarHBondContact O-N 3.37Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 2.77Å; K102-E105 PolarHBondContact O-N 2.91Å; K102-I106 VanDerWaalsContact O-CB 3.25Å; K102-I106 WeakPolarHBondContact O-CB 3.22Å; K102-I106 WeakPolarHBondContact O-CD1 3.22Å; K102-I106 WeakPolarHBondContact O-CG1 3.13Å; K102-I106 PolarHBondContact O-N 2.86Å
103E61.7Low73.1Confident121 Ų12190.9 Ų90.957%0.56547%0.472SS*.Hα-helixtrans-61.3-41.6176.1-170.2168.6178.600111.9R99 T100 K101 S107R99-E103 VanDerWaalsContact O-CB 3.29Å; R99-E103 WeakPolarHBondContact O-CB 3.3Å; R99-E103 PolarHBondContact O-N 2.87Å; T100-E103 PolarHBondContact O-N 3.13Å; K101-E103 VanDerWaalsContact C-N 3.31Å; K101-E103 PolarHBondContact O-N 3.05Å; E103-S107 WeakPolarHBondContact O-CB 3.34Å; E103-S107 PolarHBondContact O-N 3.01Å
104K66.4Low73.4Confident134 Ų13493.6 Ų93.658%0.58347%0.474SS*.Hα-helixtrans-67.2-46.1175.5-164.2-175-171.7-121.10112.8T100 K101 K102 I106 S107 E108T100-K104 VanDerWaalsContact O-CB 3.29Å; T100-K104 WeakPolarHBondContact O-CB 3.44Å; T100-K104 PolarHBondContact O-N 3.2Å; K101-K104 PolarHBondContact O-N 3.37Å; K102-K104 VanDerWaalsContact C-N 3.34Å; K102-K104 PolarHBondContact O-N 2.77Å; K104-I106 VanDerWaalsContact C-N 3.3Å; K104-I106 PolarHBondContact O-N 2.96Å; K104-S107 WeakPolarHBondContact O-CB 3.5Å; K104-S107 PolarHBondContact O-N 3.14Å; K104-S107 VanDerWaalsContact O-N 3.09Å; K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 HydrophobicContact CG-CG 4.43Å; K104-E108 IonicContact NZ-OE1 2.73Å; K104-E108 PolarHBondContact NZ-OE1 3.46Å; K104-E108 WeakPolarHBondContact O-CB 3.13Å; K104-E108 WeakPolarHBondContact O-CG 3.37Å; K104-E108 PolarHBondContact O-N 3.4Å
105E71.7Confident74.2Confident108 Ų10894.2 Ų94.251%0.50548%0.476SS..Hα-helixtrans-62.9-38177.5-173.1176165.300111.2K101 K102 T109K101-E105 WeakPolarHBondContact O-CB 3.39Å; K101-E105 PolarHBondContact O-N 3.48Å; K102-E105 PolarHBondContact O-N 2.91Å; E105-T109 WeakPolarHBondContact O-CB 3.34Å; E105-T109 WeakPolarHBondContact O-CG2 3.25Å; E105-T109 PolarHBondContact O-N 3.42Å; E105-T109 VanDerWaalsContact O-N 3.09Å; E105-T109 PolarHBondContact O-OG1 3.42Å
106I76.4Confident75.3Confident105 Ų10593.5 Ų93.554%0.53847%0.471SS..Hα-helixtrans-68.1-37171.9-69.8166.3000111.2K102 K104 T109 S110 K180K102-I106 VanDerWaalsContact O-CB 3.25Å; K102-I106 WeakPolarHBondContact O-CB 3.22Å; K102-I106 WeakPolarHBondContact O-CD1 3.22Å; K102-I106 WeakPolarHBondContact O-CG1 3.13Å; K102-I106 PolarHBondContact O-N 2.86Å; K104-I106 VanDerWaalsContact C-N 3.3Å; K104-I106 PolarHBondContact O-N 2.96Å; I106-T109 PolarHBondContact O-OG1 3.22Å; I106-S110 WeakPolarHBondContact O-CB 3.09Å; I106-S110 PolarHBondContact O-N 2.77Å; I106-K180 PolarHBondContact O-NZ 2.91Å
107S78.5Confident76.9Confident65 Ų6593.1 Ų93.146%0.45546%0.464SS..Hα-helixtrans-65.8-54.2174.6-171.20000111.5E103 K104 T109 S110 E111E103-S107 WeakPolarHBondContact O-CB 3.34Å; E103-S107 PolarHBondContact O-N 3.01Å; K104-S107 WeakPolarHBondContact O-CB 3.5Å; K104-S107 PolarHBondContact O-N 3.14Å; K104-S107 VanDerWaalsContact O-N 3.09Å; S107-T109 PolarHBondContact O-N 3.4Å; S107-S110 WeakPolarHBondContact O-CA 3.38Å; S107-S110 VanDerWaalsContact O-CB 3.3Å; S107-S110 WeakPolarHBondContact O-CB 3.42Å; S107-S110 PolarHBondContact O-N 3.4Å; S107-E111 PolarHBondContact O-N 2.63Å
108E81.6Confident78.7Confident106 Ų10691.5 Ų91.550%0.49546%0.46SS..Hα-helixtrans-57.5-44.5-178.4-72.2172.7-179.800112.5K104 S110 E111 S112K104-E108 WeakPolarHBondContact CE-OE1 3.45Å; K104-E108 HydrophobicContact CG-CG 4.43Å; K104-E108 IonicContact NZ-OE1 2.73Å; K104-E108 PolarHBondContact NZ-OE1 3.46Å; K104-E108 WeakPolarHBondContact O-CB 3.13Å; K104-E108 WeakPolarHBondContact O-CG 3.37Å; K104-E108 PolarHBondContact O-N 3.4Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.33Å; E108-E111 PolarHBondContact O-N 3.09Å; E108-S112 WeakPolarHBondContact O-CB 3.48Å; E108-S112 PolarHBondContact O-N 2.66Å
109T84.4Confident80.6Confident50 Ų5090.7 Ų90.731%0.30745%0.451SS..Hα-helixtrans-70.8-20.9176.149.50000113.7E105 I106 S107 L113 K180E105-T109 WeakPolarHBondContact O-CB 3.34Å; E105-T109 WeakPolarHBondContact O-CG2 3.25Å; E105-T109 PolarHBondContact O-N 3.42Å; E105-T109 VanDerWaalsContact O-N 3.09Å; E105-T109 PolarHBondContact O-OG1 3.42Å; I106-T109 PolarHBondContact O-OG1 3.22Å; S107-T109 PolarHBondContact O-N 3.4Å; T109-L113 PolarHBondContact O-N 2.83Å; T109-K180 WeakPolarHBondContact OG1-CE 3.29Å; T109-K180 PolarHBondContact OG1-NZ 2.94Å
110S87.5Confident82.4Confident45 Ų4582.2 Ų82.232%0.31542%0.42SS..Hα-helixtrans-76.9-44.1172.1-166.90000111.4I106 S107 E108 L113 K114I106-S110 WeakPolarHBondContact O-CB 3.09Å; I106-S110 PolarHBondContact O-N 2.77Å; S107-S110 WeakPolarHBondContact O-CA 3.38Å; S107-S110 VanDerWaalsContact O-CB 3.3Å; S107-S110 WeakPolarHBondContact O-CB 3.42Å; S107-S110 PolarHBondContact O-N 3.4Å; E108-S110 VanDerWaalsContact C-N 3.29Å; E108-S110 PolarHBondContact O-N 3.33Å; S110-L113 PolarHBondContact O-N 2.99Å; S110-K114 WeakPolarHBondContact O-CG 3.48Å; S110-K114 PolarHBondContact O-N 3.03Å
111E90.1Very high84.3Confident89 Ų8985.1 Ų85.142%0.41642%0.422SS..Hα-helixtrans-64.2-41.5176-62.7-47.9122.900111.7S107 E108 L113 K114 T115S107-E111 PolarHBondContact O-N 2.63Å; E108-E111 PolarHBondContact O-N 3.09Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.65Å; E111-K114 WeakPolarHBondContact O-CB 3.29Å; E111-K114 PolarHBondContact O-N 3.4Å; E111-K114 VanDerWaalsContact O-N 3.13Å; E111-K114 IonicContact OE1-NZ 2.77Å; E111-K114 PolarHBondContact OE1-NZ 3.09Å; E111-K114 IonicContact OE2-NZ 3.59Å; E111-T115 PolarHBondContact O-N 3Å; E111-T115 PolarHBondContact O-OG1 3.04Å
112S90.5Very high86.1Confident53 Ų5383.9 Ų83.937%0.37142%0.421SS..Hα-helixtrans-55.7-44.5173.7179.70000112.4E108 T115 K116E108-S112 WeakPolarHBondContact O-CB 3.48Å; E108-S112 PolarHBondContact O-N 2.66Å; S112-T115 PolarHBondContact O-N 3.42Å; S112-K116 WeakPolarHBondContact O-CB 3.32Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.25Å; S112-K116 PolarHBondContact O-N 3.09Å
113L93.7Very high87.8Confident50 Ų5079.4 Ų79.426%0.26240%0.401SS..Hα-helixtrans-64.3-41.4175.9-171.9154.5000111.9T109 S110 E111 T115 K116 M117 I176 A177T109-L113 PolarHBondContact O-N 2.83Å; S110-L113 PolarHBondContact O-N 2.99Å; E111-L113 VanDerWaalsContact C-N 3.31Å; E111-L113 PolarHBondContact O-N 2.65Å; L113-T115 PolarHBondContact O-N 3.25Å; L113-K116 PolarHBondContact O-N 3.47Å; L113-M117 VanDerWaalsContact O-CB 3.3Å; L113-M117 WeakPolarHBondContact O-CB 3.35Å; L113-M117 PolarHBondContact O-N 2.89Å; L113-I176 HydrophobicContact CB-CG2 4.05Å; L113-I176 HydrophobicContact CD1-CG2 4.21Å; L113-A177 HydrophobicContact CD1-CB 4.08Å
114K93.7Very high89.5Confident107 Ų10776.7 Ų76.747%0.46539%0.394SS..Hα-helixtrans-62.3-41.9176.8-69.5171.3-174.1173.10112.3S110 E111 M117 S118S110-K114 WeakPolarHBondContact O-CG 3.48Å; S110-K114 PolarHBondContact O-N 3.03Å; E111-K114 WeakPolarHBondContact O-CB 3.29Å; E111-K114 PolarHBondContact O-N 3.4Å; E111-K114 VanDerWaalsContact O-N 3.13Å; E111-K114 IonicContact OE1-NZ 2.77Å; E111-K114 PolarHBondContact OE1-NZ 3.09Å; E111-K114 IonicContact OE2-NZ 3.59Å; K114-M117 PolarHBondContact O-N 3.44Å; K114-S118 PolarHBondContact O-N 3.48Å; K114-S118 PolarHBondContact O-OG 2.96Å
115T95.5Very high90.9Very high79 Ų7975.5 Ų75.549%0.48539%0.394SS..Hα-helixtrans-61.4-50.7175-59.60000110.3E111 S112 L113 M117 S118 E119E111-T115 PolarHBondContact O-N 3Å; E111-T115 PolarHBondContact O-OG1 3.04Å; S112-T115 PolarHBondContact O-N 3.42Å; L113-T115 PolarHBondContact O-N 3.25Å; T115-M117 VanDerWaalsContact C-N 3.33Å; T115-M117 PolarHBondContact O-N 3.43Å; T115-S118 CarbonylContact O-C 3.58Å; T115-S118 WeakPolarHBondContact O-CA 3.29Å; T115-S118 WeakPolarHBondContact O-CB 3.45Å; T115-S118 PolarHBondContact O-N 2.62Å; T115-E119 PolarHBondContact O-N 3.08Å
116K95Very high92.1Very high40 Ų4073.4 Ų73.417%0.17439%0.386CS..Hα-helixtrans-62.2-37.5179-69.6-78.4157.6-1740113S112 L113 S118 E119 L120 T169 E172 C173 I176S112-K116 WeakPolarHBondContact O-CB 3.32Å; S112-K116 VanDerWaalsContact O-CG 3.29Å; S112-K116 WeakPolarHBondContact O-CG 3.25Å; S112-K116 PolarHBondContact O-N 3.09Å; L113-K116 PolarHBondContact O-N 3.47Å; K116-S118 PolarHBondContact O-N 2.82Å; K116-E119 WeakPolarHBondContact CD-OE2 3.32Å; K116-E119 VanDerWaalsContact CE-OE2 3.3Å; K116-E119 WeakPolarHBondContact CE-OE2 3.36Å; K116-E119 IonicContact NZ-OE1 3.58Å; K116-E119 IonicContact NZ-OE2 2.69Å; K116-E119 PolarHBondContact NZ-OE2 2.85Å; K116-E119 WeakPolarHBondContact O-CB 3.21Å; K116-E119 PolarHBondContact O-N 3.48Å; K116-L120 WeakPolarHBondContact O-CG 3.11Å; K116-L120 PolarHBondContact O-N 3.48Å; K116-T169 HydrophobicContact CB-CG2 4.41Å; K116-T169 HydrophobicContact CD-CG2 3.74Å; K116-E172 HydrophobicContact CD-CB 4.43Å; K116-E172 WeakPolarHBondContact CD-OE2 3.47Å; K116-E172 WeakPolarHBondContact CE-OE2 3.28Å; K116-E172 IonicContact NZ-OE2 3.5Å; K116-E172 PolarHBondContact NZ-OE2 3.32Å; K116-C173 WeakPolarHBondContact CB-SG 3.49Å; K116-I176 HydrophobicContact CG-CD1 4.42Å
117M95.6Very high93Very high83 Ų8369.8 Ų69.841%0.40937%0.368SS..Hα-helixtrans-67-25.1172.3-166.566-170.400112.8L113 K114 T115 L120 R121L113-M117 VanDerWaalsContact O-CB 3.3Å; L113-M117 WeakPolarHBondContact O-CB 3.35Å; L113-M117 PolarHBondContact O-N 2.89Å; K114-M117 PolarHBondContact O-N 3.44Å; T115-M117 VanDerWaalsContact C-N 3.33Å; T115-M117 PolarHBondContact O-N 3.43Å; M117-L120 HydrophobicContact SD-CD1 4.29Å; M117-R121 WeakPolarHBondContact O-CG 3.33Å; M117-R121 PolarHBondContact O-N 2.86Å
118S97.1Very high93.8Very high63 Ų6373 Ų7344%0.44138%0.377SS..Hα-helixtrans-81.8-38.3175.3-540000111.7K114 T115 K116 L120 R121 L122K114-S118 PolarHBondContact O-N 3.48Å; K114-S118 PolarHBondContact O-OG 2.96Å; T115-S118 CarbonylContact O-C 3.58Å; T115-S118 WeakPolarHBondContact O-CA 3.29Å; T115-S118 WeakPolarHBondContact O-CB 3.45Å; T115-S118 PolarHBondContact O-N 2.62Å; K116-S118 PolarHBondContact O-N 2.82Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-L120 PolarHBondContact O-N 2.86Å; S118-R121 PolarHBondContact O-N 2.98Å; S118-L122 PolarHBondContact O-N 2.79Å; S118-L122 VanDerWaalsContact O-N 3.11Å
119E96.8Very high94.4Very high51 Ų5174.1 Ų74.124%0.23838%0.383CS..Hα-helixtrans-55.1-47167-68.6170.4-156.500110.8T115 K116 R121 L122 Y123 T169T115-E119 PolarHBondContact O-N 3.08Å; K116-E119 WeakPolarHBondContact CD-OE2 3.32Å; K116-E119 VanDerWaalsContact CE-OE2 3.3Å; K116-E119 WeakPolarHBondContact CE-OE2 3.36Å; K116-E119 IonicContact NZ-OE1 3.58Å; K116-E119 IonicContact NZ-OE2 2.69Å; K116-E119 PolarHBondContact NZ-OE2 2.85Å; K116-E119 WeakPolarHBondContact O-CB 3.21Å; K116-E119 PolarHBondContact O-N 3.48Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.93Å; E119-L122 WeakPolarHBondContact O-CB 3.47Å; E119-L122 PolarHBondContact O-N 3.3Å; E119-Y123 HydrophobicContact CB-CD2 4.48Å; E119-Y123 HydrophobicContact CB-CE2 3.93Å; E119-Y123 WeakPolarHBondContact O-CD2 3.46Å; E119-Y123 VanDerWaalsContact O-CG 3.28Å; E119-Y123 PolarHBondContact O-N 3.13Å; E119-T169 HydrophobicContact CB-CG2 4.05Å; E119-T169 WeakPolarHBondContact OE2-CG2 3.36Å
120L97.7Very high94.9Very high11 Ų1172.6 Ų72.66%0.05837%0.372CS..Hα-helixtrans-60.6-35.3177.3-72.3173.8000114K116 M117 S118 C124 F166 T169 L170 C173K116-L120 WeakPolarHBondContact O-CG 3.11Å; K116-L120 PolarHBondContact O-N 3.48Å; M117-L120 HydrophobicContact SD-CD1 4.29Å; S118-L120 VanDerWaalsContact C-N 3.32Å; S118-L120 PolarHBondContact O-N 2.86Å; L120-C124 WeakPolarHBondContact O-CB 3.16Å; L120-C124 PolarHBondContact O-N 3.49Å; L120-F166 HydrophobicContact CB-CE2 4.33Å; L120-F166 HydrophobicContact CD2-CD2 3.59Å; L120-F166 HydrophobicContact CD2-CE2 3.65Å; L120-F166 HydrophobicContact CD2-CG 4.13Å; L120-F166 HydrophobicContact CD2-CZ 4.23Å; L120-F166 WeakPolarHBondContact CD2-O 3.47Å; L120-T169 HydrophobicContact CD2-CG2 3.94Å; L120-T169 HydrophobicContact CG-CG2 3.91Å; L120-L170 HydrophobicContact CD1-CB 4.43Å; L120-L170 HydrophobicContact CD1-CD1 3.94Å; L120-L170 HydrophobicContact CD2-CB 4.01Å; L120-C173 HydrophobicContact CD1-CB 4.28Å
121R96.3Very high95.2Very high144 Ų14473.1 Ų73.154%0.54337%0.373SS..Hα-helixtrans-66.7-47.9174.5-72.7-178.3-173.3107.7-3111M117 S118 E119 Y123 C124 D125M117-R121 WeakPolarHBondContact O-CG 3.33Å; M117-R121 PolarHBondContact O-N 2.86Å; S118-R121 PolarHBondContact O-N 2.98Å; E119-R121 VanDerWaalsContact C-N 3.32Å; E119-R121 PolarHBondContact O-N 2.93Å; R121-Y123 VanDerWaalsContact C-N 3.28Å; R121-Y123 PolarHBondContact O-N 3.44Å; R121-C124 WeakPolarHBondContact O-CA 3.29Å; R121-C124 VanDerWaalsContact O-CB 3.24Å; R121-C124 WeakPolarHBondContact O-CB 3.49Å; R121-C124 PolarHBondContact O-N 2.94Å; R121-D125 PolarHBondContact O-N 3.26Å
122L97.1Very high95.2Very high113 Ų11373.7 Ų73.759%0.59238%0.376SS*.Hα-helixtrans-57.9-41.4176.4-179.965.6000111.9S118 E119 D125 L126S118-L122 PolarHBondContact O-N 2.79Å; S118-L122 VanDerWaalsContact O-N 3.11Å; E119-L122 WeakPolarHBondContact O-CB 3.47Å; E119-L122 PolarHBondContact O-N 3.3Å; L122-D125 PolarHBondContact O-N 2.96Å; L122-L126 VanDerWaalsContact O-CB 3.29Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 PolarHBondContact O-N 3.49Å
123Y97.4Very high95.2Very high51 Ų5173.5 Ų73.520%0.237%0.372CS..Hα-helixtrans-66.3-36173.7-62.8-36.8000112.4E119 R121 L126 L127 T165 F166 T169E119-Y123 HydrophobicContact CB-CD2 4.48Å; E119-Y123 HydrophobicContact CB-CE2 3.93Å; E119-Y123 WeakPolarHBondContact O-CD2 3.46Å; E119-Y123 VanDerWaalsContact O-CG 3.28Å; E119-Y123 PolarHBondContact O-N 3.13Å; R121-Y123 VanDerWaalsContact C-N 3.28Å; R121-Y123 PolarHBondContact O-N 3.44Å; Y123-L126 PolarHBondContact O-N 3.37Å; Y123-L127 WeakPolarHBondContact O-CB 3.12Å; Y123-L127 WeakPolarHBondContact O-CG 3.24Å; Y123-L127 PolarHBondContact O-N 3.49Å; Y123-T165 HydrophobicContact CE1-CG2 4.12Å; Y123-T165 HydrophobicContact CE2-CG2 4.01Å; Y123-T165 WeakPolarHBondContact OH-CG2 3.35Å; Y123-F166 HydrophobicContact CD2-CB 4.45Å; Y123-T169 HydrophobicContact CE2-CG2 4.22Å
124C96.2Very high94.9Very high64 Ų6472.9 Ų72.943%0.43237%0.369SS..Hα-helixtrans-62-46.3174.7-141.90000111.4L120 R121 L126 L127 M128L120-C124 WeakPolarHBondContact O-CB 3.16Å; L120-C124 PolarHBondContact O-N 3.49Å; R121-C124 WeakPolarHBondContact O-CA 3.29Å; R121-C124 VanDerWaalsContact O-CB 3.24Å; R121-C124 WeakPolarHBondContact O-CB 3.49Å; R121-C124 PolarHBondContact O-N 2.94Å; C124-L126 PolarHBondContact O-N 2.96Å; C124-L127 PolarHBondContact O-N 3.48Å; C124-M128 WeakPolarHBondContact O-CG 3.31Å; C124-M128 PolarHBondContact O-N 3.22Å
125D96.3Very high94.6Very high109 Ų10972.7 Ų72.758%0.58337%0.369SS*.Hα-helixtrans-62.9-42.3176.8-60.7-29.7000111.2R121 L122 M128 Q129R121-D125 PolarHBondContact O-N 3.26Å; L122-D125 PolarHBondContact O-N 2.96Å; D125-M128 PolarHBondContact O-N 2.72Å; D125-Q129 PolarHBondContact O-N 2.86Å
126L95.9Very high94.1Very high63 Ų6373.9 Ų73.933%0.3337%0.369SS..Hα-helixtrans-66.4-40.9177.5-178.360000112.7L122 Y123 C124 Q129 Q130 T162L122-L126 VanDerWaalsContact O-CB 3.29Å; L122-L126 WeakPolarHBondContact O-CB 3.47Å; L122-L126 PolarHBondContact O-N 3.49Å; Y123-L126 PolarHBondContact O-N 3.37Å; C124-L126 PolarHBondContact O-N 2.96Å; L126-Q129 PolarHBondContact O-N 2.85Å; L126-Q130 HydrophobicContact CD1-CG 4.34Å; L126-Q130 WeakPolarHBondContact O-CB 3.38Å; L126-Q130 VanDerWaalsContact O-CG 3.24Å; L126-Q130 WeakPolarHBondContact O-CG 3.13Å; L126-Q130 PolarHBondContact O-N 2.84Å; L126-T162 HydrophobicContact CB-CG2 4.4Å; L126-T162 HydrophobicContact CD2-CG2 3.8Å; L126-T162 HydrophobicContact CG-CG2 4.02Å
127L96.3Very high93.3Very high29 Ų2975.3 Ų75.315%0.15238%0.376CS..Hα-helixtrans-62.6-44.3174-74.3171.5000111Y123 C124 Q129 Q130 V131 L159 T162 C163 F166Y123-L127 WeakPolarHBondContact O-CB 3.12Å; Y123-L127 WeakPolarHBondContact O-CG 3.24Å; Y123-L127 PolarHBondContact O-N 3.49Å; C124-L127 PolarHBondContact O-N 3.48Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.33Å; L127-Q130 PolarHBondContact O-N 3.2Å; L127-V131 WeakPolarHBondContact O-CB 3.42Å; L127-V131 VanDerWaalsContact O-CG2 3.3Å; L127-V131 WeakPolarHBondContact O-CG2 3.38Å; L127-V131 PolarHBondContact O-N 3.07Å; L127-L159 HydrophobicContact CD2-CD1 3.63Å; L127-T162 HydrophobicContact CD2-CG2 3.62Å; L127-T162 HydrophobicContact CG-CG2 3.75Å; L127-C163 WeakPolarHBondContact CD2-SG 3.3Å; L127-F166 HydrophobicContact CD1-CB 4.38Å; L127-F166 HydrophobicContact CD1-CD2 4.38Å; L127-F166 HydrophobicContact CD1-CG 4.32Å
128M94.9Very high92.3Very high134 Ų13475.5 Ų75.566%0.6638%0.382SS*.Hα-helixtrans-59.1-43.8174.8-76.6-64-58.500111.8C124 D125 H132C124-M128 WeakPolarHBondContact O-CG 3.31Å; C124-M128 PolarHBondContact O-N 3.22Å; D125-M128 PolarHBondContact O-N 2.72Å; M128-H132 PolarHBondContact O-N 2.8Å
129Q94.9Very high91.1Very high129 Ų12979.7 Ų79.760%0.60339%0.394SS*.Hα-helixtrans-63.8-46.5176.8-172.3177.25.900112D125 L126 L127 V131 H132 T133D125-Q129 PolarHBondContact O-N 2.86Å; L126-Q129 PolarHBondContact O-N 2.85Å; L127-Q129 VanDerWaalsContact C-N 3.33Å; L127-Q129 PolarHBondContact O-N 3.33Å; Q129-V131 PolarHBondContact O-N 3.39Å; Q129-H132 PolarHBondContact O-N 3.1Å; Q129-T133 PolarHBondContact O-N 2.82Å; Q129-T133 PolarHBondContact O-OG1 3.32Å
130Q94.6Very high89.4Confident17 Ų1783.5 Ų83.58%0.07941%0.411CS..Hα-helixtrans-63.9-39.3179.3-72.4163.8-4.300112.2L126 L127 T133 I134 L159 T162L126-Q130 HydrophobicContact CD1-CG 4.34Å; L126-Q130 WeakPolarHBondContact O-CB 3.38Å; L126-Q130 VanDerWaalsContact O-CG 3.24Å; L126-Q130 WeakPolarHBondContact O-CG 3.13Å; L126-Q130 PolarHBondContact O-N 2.84Å; L127-Q130 PolarHBondContact O-N 3.2Å; Q130-T133 PolarHBondContact O-N 3.19Å; Q130-I134 WeakPolarHBondContact O-CG1 3.35Å; Q130-I134 PolarHBondContact O-N 2.95Å; Q130-I134 VanDerWaalsContact O-N 3.08Å; Q130-L159 HydrophobicContact CB-CB 4.42Å; Q130-L159 HydrophobicContact CB-CD1 3.76Å; Q130-T162 PolarHBondContact NE2-OG1 3.38Å; Q130-T162 VanDerWaalsContact OE1-CB 3.31Å; Q130-T162 PolarHBondContact OE1-OG1 3.32Å
131V93.9Very high87.4Confident56 Ų5687.5 Ų87.534%0.33943%0.433SS..Hα-helixtrans-63.8-44.3173.7169.20000111.2L127 Q129 I134 Q135 L159L127-V131 WeakPolarHBondContact O-CB 3.42Å; L127-V131 VanDerWaalsContact O-CG2 3.3Å; L127-V131 WeakPolarHBondContact O-CG2 3.38Å; L127-V131 PolarHBondContact O-N 3.07Å; Q129-V131 PolarHBondContact O-N 3.39Å; V131-I134 PolarHBondContact O-N 3.02Å; V131-Q135 HydrophobicContact CG1-CG 4.43Å; V131-Q135 WeakPolarHBondContact O-CG 3.45Å; V131-Q135 PolarHBondContact O-N 2.97Å; V131-L159 HydrophobicContact CG2-CD1 3.93Å; V131-L159 HydrophobicContact CG2-CD2 4.3Å
132H90.9Very high85.5Confident102 Ų10289.2 Ų89.247%0.47245%0.447SS..Hα-helixtrans-59.9-47.3176.7-171.5-82.6000111.7M128 Q129 I134 Q135 E136M128-H132 PolarHBondContact O-N 2.8Å; Q129-H132 PolarHBondContact O-N 3.1Å; H132-I134 VanDerWaalsContact C-N 3.32Å; H132-I134 PolarHBondContact O-N 2.9Å; H132-Q135 WeakPolarHBondContact O-CB 3.36Å; H132-Q135 PolarHBondContact O-N 2.78Å; H132-Q135 VanDerWaalsContact O-N 3.1Å; H132-E136 IonicContact CE1-OE1 3.5Å; H132-E136 PolarHBondContact CE1-OE1 3.01Å; H132-E136 VanDerWaalsContact CE1-OE1 3.25Å; H132-E136 IonicContact CE1-OE2 2.66Å; H132-E136 IonicContact ND1-OE1 2.94Å; H132-E136 IonicContact ND1-OE2 3.5Å; H132-E136 PolarHBondContact ND1-OE2 3.49Å; H132-E136 WeakPolarHBondContact O-CG 3.3Å; H132-E136 PolarHBondContact O-N 3.28Å
133T89.1Confident83.5Confident49 Ų4989.8 Ų89.830%0.30145%0.451SS..Hα-helixtrans-59.3-40.2177.5-64.50000112.5Q129 Q130 E136 F137Q129-T133 PolarHBondContact O-N 2.82Å; Q129-T133 PolarHBondContact O-OG1 3.32Å; Q130-T133 PolarHBondContact O-N 3.19Å; T133-E136 PolarHBondContact O-N 3.38Å; T133-F137 HydrophobicContact CG2-CD2 4.08Å; T133-F137 HydrophobicContact CG2-CE2 3.56Å; T133-F137 HydrophobicContact CG2-CZ 4.39Å; T133-F137 WeakPolarHBondContact O-CD2 3.46Å; T133-F137 PolarHBondContact O-N 3.45Å
134I88.2Confident81.4Confident36 Ų3696.1 Ų96.119%0.18548%0.482CS..Hα-helixtrans-67.5-40.9174.7-67.3165.7000111.1Q130 V131 H132 E136 F137 V138 A155 L159Q130-I134 WeakPolarHBondContact O-CG1 3.35Å; Q130-I134 PolarHBondContact O-N 2.95Å; Q130-I134 VanDerWaalsContact O-N 3.08Å; V131-I134 PolarHBondContact O-N 3.02Å; H132-I134 VanDerWaalsContact C-N 3.32Å; H132-I134 PolarHBondContact O-N 2.9Å; I134-E136 PolarHBondContact O-N 3.08Å; I134-F137 PolarHBondContact O-N 2.76Å; I134-V138 WeakPolarHBondContact O-CG2 3.24Å; I134-V138 PolarHBondContact O-N 2.97Å; I134-V138 VanDerWaalsContact O-N 3.09Å; I134-A155 HydrophobicContact CD1-CB 4.23Å; I134-A155 HydrophobicContact CG1-CB 3.74Å; I134-L159 HydrophobicContact CD1-CB 4.23Å; I134-L159 HydrophobicContact CD1-CD2 3.9Å
135Q86.3Confident79.5Confident103 Ų10397.2 Ų97.248%0.48149%0.49SS..Hα-helixtrans-62.1-41.5176-74.3174.1-18.200112V131 H132 F137 V138 H139V131-Q135 HydrophobicContact CG1-CG 4.43Å; V131-Q135 WeakPolarHBondContact O-CG 3.45Å; V131-Q135 PolarHBondContact O-N 2.97Å; H132-Q135 WeakPolarHBondContact O-CB 3.36Å; H132-Q135 PolarHBondContact O-N 2.78Å; H132-Q135 VanDerWaalsContact O-N 3.1Å; Q135-F137 PolarHBondContact O-N 3.09Å; Q135-V138 PolarHBondContact O-N 2.85Å; Q135-H139 WeakPolarHBondContact O-CB 3.43Å; Q135-H139 PolarHBondContact O-CD2 3.27Å; Q135-H139 PolarHBondContact O-N 3.2Å
136E85.3Confident77.5Confident104 Ų10497 Ų9749%0.48650%0.497SS..Hα-helixtrans-58.7-46.1174.4-74.1173.2125.100111.7H132 T133 I134 V138 H139 H140H132-E136 IonicContact CE1-OE1 3.5Å; H132-E136 PolarHBondContact CE1-OE1 3.01Å; H132-E136 VanDerWaalsContact CE1-OE1 3.25Å; H132-E136 IonicContact CE1-OE2 2.66Å; H132-E136 IonicContact ND1-OE1 2.94Å; H132-E136 IonicContact ND1-OE2 3.5Å; H132-E136 PolarHBondContact ND1-OE2 3.49Å; H132-E136 WeakPolarHBondContact O-CG 3.3Å; H132-E136 PolarHBondContact O-N 3.28Å; T133-E136 PolarHBondContact O-N 3.38Å; I134-E136 PolarHBondContact O-N 3.08Å; E136-V138 VanDerWaalsContact C-N 3.33Å; E136-V138 PolarHBondContact O-N 3.37Å; E136-H139 PolarHBondContact O-N 3.4Å; E136-H140 WeakPolarHBondContact O-CB 3.37Å; E136-H140 PolarHBondContact O-N 2.88Å
137F79.5Confident75.6Confident71 Ų7196.2 Ų96.231%0.31150%0.496SS..Hα-helixtrans-61.9-37.7176.3-72.4-54.5000113.1T133 I134 Q135T133-F137 HydrophobicContact CG2-CD2 4.08Å; T133-F137 HydrophobicContact CG2-CE2 3.56Å; T133-F137 HydrophobicContact CG2-CZ 4.39Å; T133-F137 WeakPolarHBondContact O-CD2 3.46Å; T133-F137 PolarHBondContact O-N 3.45Å; I134-F137 PolarHBondContact O-N 2.76Å; Q135-F137 PolarHBondContact O-N 3.09Å
138V74.5Confident74.2Confident87 Ų8797.5 Ų97.553%0.52751%0.507SS..Hα-helixtrans-71.8-38.3177.5173.20000111.8I134 Q135 E136 H140I134-V138 WeakPolarHBondContact O-CG2 3.24Å; I134-V138 PolarHBondContact O-N 2.97Å; I134-V138 VanDerWaalsContact O-N 3.09Å; Q135-V138 PolarHBondContact O-N 2.85Å; E136-V138 VanDerWaalsContact C-N 3.33Å; E136-V138 PolarHBondContact O-N 3.37Å; V138-H140 VanDerWaalsContact C-N 3.35Å
139H70.3Confident72.9Confident151 Ų15194.5 Ų94.570%0.69950%0.504SS*.Hα-helixtrans-73.8-22.7178.7-78.7-61.4000113.8Q135 E136Q135-H139 WeakPolarHBondContact O-CB 3.43Å; Q135-H139 PolarHBondContact O-CD2 3.27Å; Q135-H139 PolarHBondContact O-N 3.2Å; E136-H139 PolarHBondContact O-N 3.4Å
140H62.8Low72.1Confident131 Ų13195.8 Ų95.861%0.60651%0.51SS*.G310 helixtrans-81.4-13.8-178.3-148-51.3000113.9E136 V138 E142 N143E136-H140 WeakPolarHBondContact O-CB 3.37Å; E136-H140 PolarHBondContact O-N 2.88Å; V138-H140 VanDerWaalsContact C-N 3.35Å; H140-E142 VanDerWaalsContact C-N 3.31Å; H140-E142 PolarHBondContact O-N 3.33Å; H140-N143 PolarHBondContact O-N 2.99Å
141D55.4Low71.3Confident94 Ų9498.5 Ų98.550%0.50353%0.525SS..G310 helixtrans-75.8-12.7-176.6-156.628.6000113.5N143 P147D141-N143 VanDerWaalsContact C-N 3.3Å; D141-N143 PolarHBondContact O-N 2.82Å; D141-P147 WeakPolarHBondContact OD1-CD 3.44Å
142E55.6Low70.6Confident181 Ų18199.8 Ų99.885%0.84653%0.528SS*.G310 helixtrans-75.6-12.5175.2-68.9-136.9125.900114.1H140H140-E142 VanDerWaalsContact C-N 3.31Å; H140-E142 PolarHBondContact O-N 3.33Å
143N56.1Low70.3Confident125 Ų125100.6 Ų100.667%0.66854%0.536SS*.SBendtrans-13282.9178.8-90.9-45.2000112.6H140 D141 S145H140-N143 PolarHBondContact O-N 2.99Å; D141-N143 VanDerWaalsContact C-N 3.3Å; D141-N143 PolarHBondContact O-N 2.82Å; N143-S145 PolarHBondContact O-N 2.83Å
144H52.3Low70.3Confident184 Ų184104.9 Ų104.985%0.85255%0.552SS**SBendtrans50.160.6156.4-65-63.2000118.4
145S56.3Low70.3Confident87 Ų87103.9 Ų103.961%0.60855%0.55SS*.  trans-173.5133.5132.244.40000109.6N143 P147N143-S145 PolarHBondContact O-N 2.83Å; S145-P147 WeakPolarHBondContact O-CD 3.38Å
146S53.4Low70.5Confident105 Ų105101.7 Ų101.773%0.73455%0.546SS*.PPolyproline II helixtrans-64.1124.8-177.558.20000110.3S148S146-S148 PolarHBondContact O-N 3.44Å
147P57.1Low70.9Confident45 Ų45100.4 Ų100.429%0.29255%0.548SS..PPolyproline II helixtrans-61135.7167.726.5-31.8000108.6D141 S145 A149D141-P147 WeakPolarHBondContact OD1-CD 3.44Å; S145-P147 WeakPolarHBondContact O-CD 3.38Å; P147-A149 PolarHBondContact O-N 2.91Å; P147-A149 VanDerWaalsContact O-N 3.07Å
148S65.9Low71.6Confident57 Ų57101.6 Ų101.640%0.39956%0.557SS.*PPolyproline II helixtrans-59.5117.2172.738.20000108.5S146 E150 N151S146-S148 PolarHBondContact O-N 3.44Å; S148-E150 PolarHBondContact O-N 2.94Å; S148-N151 PolarHBondContact O-N 3.4Å; S148-N151 PolarHBondContact OG-OD1 3.21Å
149A69.1Low72.7Confident71 Ų7199.2 Ų99.259%0.58754%0.541SS*.Hα-helixtrans-55.9-25-174.800000113P147 N153P147-A149 PolarHBondContact O-N 2.91Å; P147-A149 VanDerWaalsContact O-N 3.07Å; A149-N153 VanDerWaalsContact O-CB 3.3Å; A149-N153 WeakPolarHBondContact O-CB 3.4Å; A149-N153 PolarHBondContact O-N 3.46Å
150E76.9Confident73.9Confident155 Ų15594.8 Ų94.872%0.72453%0.528SS*.Hα-helixtrans-59.4-45171.4-64.8-178.4133.100112.9S148 M152 N153 E154S148-E150 PolarHBondContact O-N 2.94Å; E150-M152 PolarHBondContact O-N 3.35Å; E150-N153 PolarHBondContact O-N 2.86Å; E150-E154 WeakPolarHBondContact O-CB 3.36Å; E150-E154 PolarHBondContact O-N 2.82Å
151N78Confident75.5Confident75 Ų7590.8 Ų90.840%0.40152%0.517SS..Hα-helixtrans-65.9-40.2-178-64.738.8000111.7S148 A155S148-N151 PolarHBondContact O-N 3.4Å; S148-N151 PolarHBondContact OG-OD1 3.21Å; N151-A155 WeakPolarHBondContact O-CB 3.47Å; N151-A155 PolarHBondContact O-N 3.49Å
152M79.7Confident77.5Confident83 Ų8386.8 Ų86.841%0.40950%0.496SS..Hα-helixtrans-67.8-39.1175.6-177.6176.763.200111.3E150 A155 S156E150-M152 PolarHBondContact O-N 3.35Å; M152-A155 PolarHBondContact O-N 3.42Å; M152-S156 WeakPolarHBondContact O-CB 3.35Å; M152-S156 PolarHBondContact O-N 3.41Å
153N85.3Confident79.5Confident118 Ų11880.5 Ų80.563%0.63147%0.472SS*.Hα-helixtrans-66.7-40176.1-175.458.4000112.1A149 E150 S156 S157A149-N153 VanDerWaalsContact O-CB 3.3Å; A149-N153 WeakPolarHBondContact O-CB 3.4Å; A149-N153 PolarHBondContact O-N 3.46Å; E150-N153 PolarHBondContact O-N 2.86Å; N153-S156 PolarHBondContact O-N 2.87Å; N153-S157 WeakPolarHBondContact O-CB 2.92Å; N153-S157 PolarHBondContact O-N 2.81Å
154E88.5Confident81.4Confident139 Ų13979.5 Ų79.565%0.6547%0.466SS*.Hα-helixtrans-63-46.8174.1-174174.9-162.800111.6E150 S156 S157 L158E150-E154 WeakPolarHBondContact O-CB 3.36Å; E150-E154 PolarHBondContact O-N 2.82Å; E154-S156 VanDerWaalsContact C-N 3.34Å; E154-S156 PolarHBondContact O-N 2.83Å; E154-S157 WeakPolarHBondContact O-CB 3.37Å; E154-S157 PolarHBondContact O-N 3.3Å; E154-L158 WeakPolarHBondContact O-CB 3.41Å; E154-L158 PolarHBondContact O-N 3.22Å
155A88.1Confident83.6Confident16 Ų1673.5 Ų73.513%0.13244%0.443CS..Hα-helixtrans-60.4-41.4176.300000112.4I134 N151 M152 L158 L159I134-A155 HydrophobicContact CD1-CB 4.23Å; I134-A155 HydrophobicContact CG1-CB 3.74Å; N151-A155 WeakPolarHBondContact O-CB 3.47Å; N151-A155 PolarHBondContact O-N 3.49Å; M152-A155 PolarHBondContact O-N 3.42Å; A155-L158 PolarHBondContact O-N 3.27Å; A155-L159 WeakPolarHBondContact O-CB 3.41Å; A155-L159 PolarHBondContact O-N 2.93Å
156S90.8Very high85.6Confident57 Ų5771.9 Ų71.940%0.39943%0.425SS..Hα-helixtrans-66.4-39176-173.50000112.9M152 N153 E154 S160M152-S156 WeakPolarHBondContact O-CB 3.35Å; M152-S156 PolarHBondContact O-N 3.41Å; N153-S156 PolarHBondContact O-N 2.87Å; E154-S156 VanDerWaalsContact C-N 3.34Å; E154-S156 PolarHBondContact O-N 2.83Å; S156-S160 WeakPolarHBondContact O-CB 3.36Å; S156-S160 PolarHBondContact O-N 3.1Å; S156-S160 PolarHBondContact O-OG 2.74Å
157S94.2Very high87.7Confident76 Ų7671 Ų7153%0.53141%0.411SS..Hα-helixtrans-64-45173.9-175.30000111.6N153 E154 S160 A161N153-S157 WeakPolarHBondContact O-CB 2.92Å; N153-S157 PolarHBondContact O-N 2.81Å; E154-S157 WeakPolarHBondContact O-CB 3.37Å; E154-S157 PolarHBondContact O-N 3.3Å; S157-S160 WeakPolarHBondContact O-CB 3.36Å; S157-S160 PolarHBondContact O-N 3.22Å; S157-A161 PolarHBondContact O-N 2.83Å
158L94.3Very high89.6Confident97 Ų9772.2 Ų72.251%0.50842%0.418SS..Hα-helixtrans-64.8-41.2177.4-176.265.8000112.2E154 A155 S160 A161 T162E154-L158 WeakPolarHBondContact O-CB 3.41Å; E154-L158 PolarHBondContact O-N 3.22Å; A155-L158 PolarHBondContact O-N 3.27Å; L158-S160 VanDerWaalsContact C-N 3.34Å; L158-A161 PolarHBondContact O-N 3.36Å; L158-T162 PolarHBondContact O-N 3.43Å; L158-T162 PolarHBondContact O-OG1 2.57Å
159L95.9Very high91Very high36 Ų3669.8 Ų69.819%0.18840%0.4CS..Hα-helixtrans-59-46.9172.3-178.471.4000110.9L127 Q130 V131 I134 A155 A161 T162 C163L127-L159 HydrophobicContact CD2-CD1 3.63Å; Q130-L159 HydrophobicContact CB-CB 4.42Å; Q130-L159 HydrophobicContact CB-CD1 3.76Å; V131-L159 HydrophobicContact CG2-CD1 3.93Å; V131-L159 HydrophobicContact CG2-CD2 4.3Å; I134-L159 HydrophobicContact CD1-CB 4.23Å; I134-L159 HydrophobicContact CD1-CD2 3.9Å; A155-L159 WeakPolarHBondContact O-CB 3.41Å; A155-L159 PolarHBondContact O-N 2.93Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.37Å; L159-T162 PolarHBondContact O-N 2.66Å; L159-C163 PolarHBondContact O-N 2.78Å; L159-C163 PolarHBondContact O-SG 3.13Å
160S96.2Very high92.4Very high59 Ų5969.9 Ų69.941%0.41339%0.391SS..Hα-helixtrans-61.3-40.9178.2-600000112.3S156 S157 L158 C163 N164S156-S160 WeakPolarHBondContact O-CB 3.36Å; S156-S160 PolarHBondContact O-N 3.1Å; S156-S160 PolarHBondContact O-OG 2.74Å; S157-S160 WeakPolarHBondContact O-CB 3.36Å; S157-S160 PolarHBondContact O-N 3.22Å; L158-S160 VanDerWaalsContact C-N 3.34Å; S160-C163 PolarHBondContact O-N 2.81Å; S160-N164 PolarHBondContact O-N 2.81Å; S160-N164 PolarHBondContact O-ND2 2.59Å
161A96.6Very high93.3Very high47 Ų4767.1 Ų67.139%0.38838%0.378SS..Hα-helixtrans-63.8-40.3174.900000112.3S157 L158 L159 N164 T165S157-A161 PolarHBondContact O-N 2.83Å; L158-A161 PolarHBondContact O-N 3.36Å; L159-A161 VanDerWaalsContact C-N 3.35Å; L159-A161 PolarHBondContact O-N 3.37Å; A161-N164 PolarHBondContact O-N 2.7Å; A161-T165 PolarHBondContact O-N 3.28Å; A161-T165 VanDerWaalsContact O-N 3.08Å; A161-T165 PolarHBondContact O-OG1 3.32Å
162T97.1Very high94.1Very high10 Ų1067.2 Ų67.26%0.06138%0.376CS..Hα-helixtrans-67.2-43.9177.1-50.70000111.3L126 L127 Q130 L158 L159 N164 T165 F166L126-T162 HydrophobicContact CB-CG2 4.4Å; L126-T162 HydrophobicContact CD2-CG2 3.8Å; L126-T162 HydrophobicContact CG-CG2 4.02Å; L127-T162 HydrophobicContact CD2-CG2 3.62Å; L127-T162 HydrophobicContact CG-CG2 3.75Å; Q130-T162 PolarHBondContact NE2-OG1 3.38Å; Q130-T162 VanDerWaalsContact OE1-CB 3.31Å; Q130-T162 PolarHBondContact OE1-OG1 3.32Å; L158-T162 PolarHBondContact O-N 3.43Å; L158-T162 PolarHBondContact O-OG1 2.57Å; L159-T162 PolarHBondContact O-N 2.66Å; T162-N164 PolarHBondContact O-N 3.48Å; T162-T165 PolarHBondContact O-N 2.99Å; T162-F166 WeakPolarHBondContact O-CB 3.28Å; T162-F166 PolarHBondContact O-N 2.84Å
163C97.4Very high94.8Very high49 Ų4963.9 Ų63.933%0.33136%0.361SS..Hα-helixtrans-57.3-47.2174.3-76.10000112.4L127 L159 S160 T165 F166 I167L127-C163 WeakPolarHBondContact CD2-SG 3.3Å; L159-C163 PolarHBondContact O-N 2.78Å; L159-C163 PolarHBondContact O-SG 3.13Å; S160-C163 PolarHBondContact O-N 2.81Å; C163-T165 PolarHBondContact O-N 3.4Å; C163-F166 PolarHBondContact O-N 2.98Å; C163-I167 WeakPolarHBondContact O-CD1 3.28Å; C163-I167 VanDerWaalsContact O-CG1 3.27Å; C163-I167 WeakPolarHBondContact O-CG1 3.45Å; C163-I167 PolarHBondContact O-N 3.44Å
164N97.1Very high95.3Very high104 Ų10461.8 Ų61.856%0.55635%0.352SS*.Hα-helixtrans-60.4-45.4177.4-75.1-45.3000111.5S160 A161 T162 I167 T168S160-N164 PolarHBondContact O-N 2.81Å; S160-N164 PolarHBondContact O-ND2 2.59Å; A161-N164 PolarHBondContact O-N 2.7Å; T162-N164 PolarHBondContact O-N 3.48Å; N164-I167 PolarHBondContact O-N 2.88Å; N164-T168 PolarHBondContact O-N 3.33Å; N164-T168 PolarHBondContact O-OG1 2.84Å
165T97.4Very high95.5Very high57 Ų5760.8 Ų60.835%0.3535%0.345SS..Hα-helixtrans-64.6-42179.4-50.10000111.5Y123 A161 T162 C163 I167 T168 T169Y123-T165 HydrophobicContact CE1-CG2 4.12Å; Y123-T165 HydrophobicContact CE2-CG2 4.01Å; Y123-T165 WeakPolarHBondContact OH-CG2 3.35Å; A161-T165 PolarHBondContact O-N 3.28Å; A161-T165 VanDerWaalsContact O-N 3.08Å; A161-T165 PolarHBondContact O-OG1 3.32Å; T162-T165 PolarHBondContact O-N 2.99Å; C163-T165 PolarHBondContact O-N 3.4Å; T165-I167 PolarHBondContact O-N 3.3Å; T165-T168 WeakPolarHBondContact CA-OG1 3.26Å; T165-T168 PolarHBondContact O-N 2.99Å; T165-T168 PolarHBondContact O-OG1 2.85Å; T165-T169 WeakPolarHBondContact O-CB 3.44Å; T165-T169 PolarHBondContact O-N 2.9Å; T165-T169 PolarHBondContact O-OG1 2.85Å
166F98Very high95.6Very high53 Ų5361.6 Ų61.623%0.23235%0.347CS..Hα-helixtrans-57.8-47.5173.5175.4-88.5000111.7L120 Y123 L127 T162 C163 T169 L170L120-F166 HydrophobicContact CB-CE2 4.33Å; L120-F166 HydrophobicContact CD2-CD2 3.59Å; L120-F166 HydrophobicContact CD2-CE2 3.65Å; L120-F166 HydrophobicContact CD2-CG 4.13Å; L120-F166 HydrophobicContact CD2-CZ 4.23Å; L120-F166 WeakPolarHBondContact CD2-O 3.47Å; Y123-F166 HydrophobicContact CD2-CB 4.45Å; L127-F166 HydrophobicContact CD1-CB 4.38Å; L127-F166 HydrophobicContact CD1-CD2 4.38Å; L127-F166 HydrophobicContact CD1-CG 4.32Å; T162-F166 WeakPolarHBondContact O-CB 3.28Å; T162-F166 PolarHBondContact O-N 2.84Å; C163-F166 PolarHBondContact O-N 2.98Å; F166-T169 PolarHBondContact O-N 2.84Å; F166-L170 HydrophobicContact CE1-CD2 4.01Å; F166-L170 VanDerWaalsContact O-CB 3.31Å; F166-L170 WeakPolarHBondContact O-CB 3.4Å; F166-L170 PolarHBondContact O-N 2.94Å
167I97.3Very high95.6Very high86 Ų8660.1 Ų60.144%0.44134%0.338SS..Hα-helixtrans-62.4-46.2179.8-67.6163.4000110.5C163 N164 T165 T169 L170 E171C163-I167 WeakPolarHBondContact O-CD1 3.28Å; C163-I167 VanDerWaalsContact O-CG1 3.27Å; C163-I167 WeakPolarHBondContact O-CG1 3.45Å; C163-I167 PolarHBondContact O-N 3.44Å; N164-I167 PolarHBondContact O-N 2.88Å; T165-I167 PolarHBondContact O-N 3.3Å; I167-T169 VanDerWaalsContact C-N 3.34Å; I167-T169 PolarHBondContact O-N 2.9Å; I167-L170 PolarHBondContact O-N 2.71Å; I167-E171 PolarHBondContact O-N 3.48Å
168T97.1Very high95.2Very high72 Ų7260.5 Ų60.544%0.44233%0.334SS..Hα-helixtrans-60.7-42.5177.649.10000112.4N164 T165 E171 E172N164-T168 PolarHBondContact O-N 3.33Å; N164-T168 PolarHBondContact O-OG1 2.84Å; T165-T168 WeakPolarHBondContact CA-OG1 3.26Å; T165-T168 PolarHBondContact O-N 2.99Å; T165-T168 PolarHBondContact O-OG1 2.85Å; T168-E171 PolarHBondContact O-N 2.83Å; T168-E172 WeakPolarHBondContact O-CG 3.25Å; T168-E172 PolarHBondContact O-N 2.8Å
169T96.6Very high94.8Very high5 Ų559.3 Ų59.33%0.03134%0.338CS..Hα-helixtrans-69.5-33.6178.2-58.70000111.9K116 E119 L120 Y123 T165 F166 I167 E172 C173K116-T169 HydrophobicContact CB-CG2 4.41Å; K116-T169 HydrophobicContact CD-CG2 3.74Å; E119-T169 HydrophobicContact CB-CG2 4.05Å; E119-T169 WeakPolarHBondContact OE2-CG2 3.36Å; L120-T169 HydrophobicContact CD2-CG2 3.94Å; L120-T169 HydrophobicContact CG-CG2 3.91Å; Y123-T169 HydrophobicContact CE2-CG2 4.22Å; T165-T169 WeakPolarHBondContact O-CB 3.44Å; T165-T169 PolarHBondContact O-N 2.9Å; T165-T169 PolarHBondContact O-OG1 2.85Å; F166-T169 PolarHBondContact O-N 2.84Å; I167-T169 VanDerWaalsContact C-N 3.34Å; I167-T169 PolarHBondContact O-N 2.9Å; T169-E172 WeakPolarHBondContact O-CB 3.21Å; T169-E172 PolarHBondContact O-N 2.91Å; T169-C173 PolarHBondContact O-N 2.89Å
170L97.3Very high93.9Very high74 Ų7460.1 Ų60.139%0.38734%0.34SS..Hα-helixtrans-68.2-41.6175.1-178.563.1000111.1L120 F166 I167 E172 C173 V174L120-L170 HydrophobicContact CD1-CB 4.43Å; L120-L170 HydrophobicContact CD1-CD1 3.94Å; L120-L170 HydrophobicContact CD2-CB 4.01Å; F166-L170 HydrophobicContact CE1-CD2 4.01Å; F166-L170 VanDerWaalsContact O-CB 3.31Å; F166-L170 WeakPolarHBondContact O-CB 3.4Å; F166-L170 PolarHBondContact O-N 2.94Å; I167-L170 PolarHBondContact O-N 2.71Å; L170-E172 VanDerWaalsContact C-N 3.32Å; L170-E172 PolarHBondContact O-N 2.83Å; L170-C173 WeakPolarHBondContact O-CB 3.32Å; L170-C173 PolarHBondContact O-N 2.83Å; L170-V174 WeakPolarHBondContact O-CG2 3.33Å; L170-V174 PolarHBondContact O-N 2.75Å
171E96.3Very high92.6Very high97 Ų9765.3 Ų65.345%0.45336%0.356SS..Hα-helixtrans-60.5-40.7171.4-73.3-171.3-164.600112.1I167 T168 V174 K175I167-E171 PolarHBondContact O-N 3.48Å; T168-E171 PolarHBondContact O-N 2.83Å; E171-V174 PolarHBondContact O-N 3.23Å; E171-K175 WeakPolarHBondContact O-CB 3.38Å; E171-K175 VanDerWaalsContact O-CD 3.3Å; E171-K175 WeakPolarHBondContact O-CD 3.47Å; E171-K175 WeakPolarHBondContact O-CG 3.43Å; E171-K175 PolarHBondContact O-N 2.63Å; E171-K175 IonicContact OE2-NZ 3.25Å; E171-K175 PolarHBondContact OE2-NZ 3.47Å
172E95.1Very high91Very high77 Ų7770.7 Ų70.736%0.3637%0.371SS..Hα-helixtrans-60.6-47.2174.4-73.6176.6176.100111.6K116 T168 T169 L170 V174 K175 I176K116-E172 HydrophobicContact CD-CB 4.43Å; K116-E172 WeakPolarHBondContact CD-OE2 3.47Å; K116-E172 WeakPolarHBondContact CE-OE2 3.28Å; K116-E172 IonicContact NZ-OE2 3.5Å; K116-E172 PolarHBondContact NZ-OE2 3.32Å; T168-E172 WeakPolarHBondContact O-CG 3.25Å; T168-E172 PolarHBondContact O-N 2.8Å; T169-E172 WeakPolarHBondContact O-CB 3.21Å; T169-E172 PolarHBondContact O-N 2.91Å; L170-E172 VanDerWaalsContact C-N 3.32Å; L170-E172 PolarHBondContact O-N 2.83Å; E172-V174 VanDerWaalsContact C-N 3.33Å; E172-V174 PolarHBondContact O-N 2.65Å; E172-K175 PolarHBondContact O-N 3.45Å; E172-I176 VanDerWaalsContact O-CG1 3.28Å; E172-I176 WeakPolarHBondContact O-CG1 3.49Å; E172-I176 PolarHBondContact O-N 2.92Å
173C95.1Very high89Confident13 Ų1375 Ų759%0.08840%0.398CS..Hα-helixtrans-53.5-48172.2-82.80000112.1K116 L120 T169 L170 I176 A177K116-C173 WeakPolarHBondContact CB-SG 3.49Å; L120-C173 HydrophobicContact CD1-CB 4.28Å; T169-C173 PolarHBondContact O-N 2.89Å; L170-C173 WeakPolarHBondContact O-CB 3.32Å; L170-C173 PolarHBondContact O-N 2.83Å; C173-I176 PolarHBondContact O-N 2.91Å; C173-A177 VanDerWaalsContact O-CB 3.27Å; C173-A177 WeakPolarHBondContact O-CB 3.48Å; C173-A177 PolarHBondContact O-N 2.79Å
174V94.2Very high86.6Confident73 Ų7381.2 Ų81.244%0.44242%0.423SS..Hα-helixtrans-66.6-37.6179.4171.30000111.5L170 E171 E172 N178L170-V174 WeakPolarHBondContact O-CG2 3.33Å; L170-V174 PolarHBondContact O-N 2.75Å; E171-V174 PolarHBondContact O-N 3.23Å; E172-V174 VanDerWaalsContact C-N 3.33Å; E172-V174 PolarHBondContact O-N 2.65Å; V174-N178 VanDerWaalsContact CG1-ND2 3.29Å; V174-N178 WeakPolarHBondContact CG1-ND2 3Å; V174-N178 VanDerWaalsContact O-CB 3.26Å; V174-N178 WeakPolarHBondContact O-CB 3.4Å; V174-N178 VanDerWaalsContact O-CG 3.31Å; V174-N178 PolarHBondContact O-N 3.33Å; V174-N178 PolarHBondContact O-ND2 3.09Å
175K93.1Very high84Confident118 Ų11884.1 Ų84.151%0.51344%0.435SS..Hα-helixtrans-64.4-46.8175.1-71.9157.7-167162.90110.9E171 E172 N178 A179E171-K175 WeakPolarHBondContact O-CB 3.38Å; E171-K175 VanDerWaalsContact O-CD 3.3Å; E171-K175 WeakPolarHBondContact O-CD 3.47Å; E171-K175 WeakPolarHBondContact O-CG 3.43Å; E171-K175 PolarHBondContact O-N 2.63Å; E171-K175 IonicContact OE2-NZ 3.25Å; E171-K175 PolarHBondContact OE2-NZ 3.47Å; E172-K175 PolarHBondContact O-N 3.45Å; K175-N178 PolarHBondContact O-N 3.47Å; K175-A179 PolarHBondContact O-N 3.27Å
176I91.2Very high81.6Confident34 Ų3491.1 Ų91.117%0.17446%0.461CS..Hα-helixtrans-64-48.6177.4-62.9161.6000110.4L113 K116 E172 C173 N178 A179 K180L113-I176 HydrophobicContact CB-CG2 4.05Å; L113-I176 HydrophobicContact CD1-CG2 4.21Å; K116-I176 HydrophobicContact CG-CD1 4.42Å; E172-I176 VanDerWaalsContact O-CG1 3.28Å; E172-I176 WeakPolarHBondContact O-CG1 3.49Å; E172-I176 PolarHBondContact O-N 2.92Å; C173-I176 PolarHBondContact O-N 2.91Å; I176-N178 PolarHBondContact O-N 3.36Å; I176-A179 WeakPolarHBondContact O-CB 3.44Å; I176-A179 PolarHBondContact O-N 3.29Å; I176-A179 VanDerWaalsContact O-N 3.14Å; I176-K180 VanDerWaalsContact O-CG 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.48Å; I176-K180 PolarHBondContact O-N 3.46Å
177A89.3Confident78.8Confident25 Ų2597.2 Ų97.221%0.20749%0.49CS..Hα-helixtrans-59.5-44177.600000112.1L113 C173 A179 K180 F181L113-A177 HydrophobicContact CD1-CB 4.08Å; C173-A177 VanDerWaalsContact O-CB 3.27Å; C173-A177 WeakPolarHBondContact O-CB 3.48Å; C173-A177 PolarHBondContact O-N 2.79Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-A179 PolarHBondContact O-N 2.81Å; A177-K180 WeakPolarHBondContact O-CA 3.3Å; A177-K180 WeakPolarHBondContact O-CB 3.44Å; A177-K180 PolarHBondContact O-N 2.95Å; A177-K180 VanDerWaalsContact O-N 3.09Å; A177-F181 HydrophobicContact CB-CD2 4.4Å; A177-F181 HydrophobicContact CB-CE2 4.39Å; A177-F181 WeakPolarHBondContact O-CD2 3.5Å; A177-F181 PolarHBondContact O-N 2.8Å
178N87.8Confident75.7Confident85 Ų85100.5 Ų100.546%0.45551%0.508SS..Hα-helixtrans-64.3-34.8175.9-79.9-52000112.8V174 K175 I176 K180 K182V174-N178 VanDerWaalsContact CG1-ND2 3.29Å; V174-N178 WeakPolarHBondContact CG1-ND2 3Å; V174-N178 VanDerWaalsContact O-CB 3.26Å; V174-N178 WeakPolarHBondContact O-CB 3.4Å; V174-N178 VanDerWaalsContact O-CG 3.31Å; V174-N178 PolarHBondContact O-N 3.33Å; V174-N178 PolarHBondContact O-ND2 3.09Å; K175-N178 PolarHBondContact O-N 3.47Å; I176-N178 PolarHBondContact O-N 3.36Å; N178-K180 VanDerWaalsContact C-N 3.32Å; N178-K182 VanDerWaalsContact O-CB 3.22Å; N178-K182 WeakPolarHBondContact O-CB 3.2Å; N178-K182 VanDerWaalsContact O-CG 3.22Å; N178-K182 WeakPolarHBondContact O-CG 3.36Å; N178-K182 PolarHBondContact O-N 2.79Å
179A85Confident73Confident72 Ų72102.4 Ų102.460%0.59552%0.521SS*.Hα-helixtrans-65.8-36171.900000112K175 I176 A177K175-A179 PolarHBondContact O-N 3.27Å; I176-A179 WeakPolarHBondContact O-CB 3.44Å; I176-A179 PolarHBondContact O-N 3.29Å; I176-A179 VanDerWaalsContact O-N 3.14Å; A177-A179 VanDerWaalsContact C-N 3.32Å; A177-A179 PolarHBondContact O-N 2.81Å
180K76.9Confident70.2Confident52 Ų52110.7 Ų110.723%0.22656%0.559CS.*Hα-helixtrans-67.7-39176.1-69.7-67.3-126176.50114.3I106 T109 I176 A177 N178 P183I106-K180 PolarHBondContact O-NZ 2.91Å; T109-K180 WeakPolarHBondContact OG1-CE 3.29Å; T109-K180 PolarHBondContact OG1-NZ 2.94Å; I176-K180 VanDerWaalsContact O-CG 3.32Å; I176-K180 WeakPolarHBondContact O-CG 3.48Å; I176-K180 PolarHBondContact O-N 3.46Å; A177-K180 WeakPolarHBondContact O-CA 3.3Å; A177-K180 WeakPolarHBondContact O-CB 3.44Å; A177-K180 PolarHBondContact O-N 2.95Å; A177-K180 VanDerWaalsContact O-N 3.09Å; N178-K180 VanDerWaalsContact C-N 3.32Å; K180-P183 WeakPolarHBondContact O-CD 3.4Å; K180-P183 WeakPolarHBondContact O-CG 3.47Å
181F68.9Low67.4Low169 Ų169112.2 Ų112.274%0.74157%0.574SS**Hα-helixtrans-100.1-5.1-174.1-62.5-63.7000114.5A177A177-F181 HydrophobicContact CB-CD2 4.4Å; A177-F181 HydrophobicContact CB-CE2 4.39Å; A177-F181 WeakPolarHBondContact O-CD2 3.5Å; A177-F181 PolarHBondContact O-N 2.8Å
182K63.1Low64.7Low160 Ų160114.8 Ų114.870%0.69659%0.59SS**  trans-71.9-21170.3-89.7-179174.7-175.20117.8N178 E184N178-K182 VanDerWaalsContact O-CB 3.22Å; N178-K182 WeakPolarHBondContact O-CB 3.2Å; N178-K182 VanDerWaalsContact O-CG 3.22Å; N178-K182 WeakPolarHBondContact O-CG 3.36Å; N178-K182 PolarHBondContact O-N 2.79Å; K182-E184 PolarHBondContact O-N 2.69Å
183P55.3Low62.3Low99 Ų99116.6 Ų116.664%0.64361%0.609SS**THydrogen-bonded Turntrans-8448.7-169.836.6-36000113.4K180K180-P183 WeakPolarHBondContact O-CD 3.4Å; K180-P183 WeakPolarHBondContact O-CG 3.47Å
184E46.5Very low59.9Low180 Ų180124.3 Ų124.384%0.84165%0.648SS**THydrogen-bonded Turntrans-154.2-3.9173.4-123.3158.4-144.200117.4K182 F186K182-E184 PolarHBondContact O-N 2.69Å; E184-F186 PolarHBondContact O-N 3.01Å
185M42.9Very low57.4Low166 Ų166127.4 Ų127.482%0.81867%0.667SS**THydrogen-bonded Turntrans-83.4-1.4179.4-72.1-149.6-59.400116.1
186F47.2Very low54.8Low204 Ų204126.3 Ų126.390%0.89568%0.675SS**THydrogen-bonded Turntrans-135.826-176.7-78.7-74.1000115.2E184E184-F186 PolarHBondContact O-N 3.01Å
187Q39.2Very low52.4Low181 Ų181131.1 Ų131.185%0.84671%0.708SS**  trans-132.457.9165.1-71.2-165.7-8.100111.9
188L31.8Very low50.1Low154 Ų154136.6 Ų136.681%0.80674%0.738SS**PPolyproline II helixtrans-73.9129.3153.6-131.681.5000107.9H190L188-H190 PolarHBondContact O-N 3.4Å
189P40Very low48.2Very low112 Ų112137.3 Ų137.373%0.72775%0.75SS**PPolyproline II helixtrans-58135.9158.5-1730.8000108.3
190H38.8Very low46.3Very low180 Ų180140.1 Ų140.183%0.83376%0.762SS**PPolyproline II helixtrans-53.7135.3174.2-97.9-86.5000110.2L188 D192L188-H190 PolarHBondContact O-N 3.4Å; H190-D192 PolarHBondContact O-N 3.32Å
191P38.7Very low44.8Very low106 Ų106143 Ų14369%0.68879%0.789SS**PPolyproline II helixtrans-67.7127.6167.328.5-32.1000109
192D38.1Very low43.8Very low150 Ų150140.4 Ų140.480%0.80279%0.789SS**PPolyproline II helixtrans-56.8137.5177.1-78.3-55.7000111.8H190 L194H190-D192 PolarHBondContact O-N 3.32Å; D192-L194 PolarHBondContact O-N 3.14Å
193P45.8Very low42.8Very low116 Ų116139.3 Ų139.375%0.75380%0.795SS**PPolyproline II helixtrans-64.2119.7167-19.432.5000110.7V195P193-V195 PolarHBondContact O-N 2.87Å
194L44.9Very low42.2Very low174 Ų174143.6 Ų143.691%0.91181%0.807SS**  trans-32.6116.6174.6-59.9167.5000114.5D192D192-L194 PolarHBondContact O-N 3.14Å
195V40.4Very low42.1Very low138 Ų138143.6 Ų143.684%0.83681%0.809SS**  trans-131.8116.7157.9-170.60000109.3P193P193-V195 PolarHBondContact O-N 2.87Å
196S39.4Very low42Very low96 Ų96144 Ų14467%0.67181%0.811SS**  trans-67.6152.1-178.3-550000112.9V198S196-V198 PolarHBondContact O-N 2.85Å; S196-V198 VanDerWaalsContact O-N 3.14Å
197P40.4Very low41.6Very low135 Ų135143.4 Ų143.488%0.87781%0.808SS**  trans-70.8108.7173.229.3-33.5000110.8
198V40.2Very low41.7Very low139 Ų139146.3 Ų146.384%0.84281%0.811SS**PPolyproline II helixtrans-84128167.6172.40000109.1S196S196-V198 PolarHBondContact O-N 2.85Å; S196-V198 VanDerWaalsContact O-N 3.14Å
199S48.7Very low42.1Very low100 Ų100144.1 Ų144.170%0.69981%0.809SS**PPolyproline II helixtrans-74.2153.6178.855.10000112.6S201S199-S201 PolarHBondContact O-N 3.44Å
200P44.1Very low41.9Very low132 Ų132145.1 Ų145.186%0.85781%0.812SS**PPolyproline II helixtrans-76.2122.7177.630.3-33.1000111.1
201S46.2Very low41.9Very low111 Ų111142 Ų14278%0.77681%0.811SS**PPolyproline II helixtrans-95.4145.1170.4-170.20000111S199S199-S201 PolarHBondContact O-N 3.44Å
202P48.9Very low41.8Very low115 Ų115145.4 Ų145.475%0.74782%0.817SS**PPolyproline II helixtrans-73.1149.1-170.9-17.132.1000114.8Q204P202-Q204 PolarHBondContact O-N 3.31Å
203V41.3Very low42.2Very low137 Ų137144.2 Ų144.283%0.8382%0.817SS**PPolyproline II helixtrans-61.7118.3177.5-179.20000111.6
204Q42.4Very low41.6Very low190 Ų190141.9 Ų141.989%0.88882%0.815SS**PPolyproline II helixtrans-84.9120.6162-73.5-172.1-12.600110P202 M206P202-Q204 PolarHBondContact O-N 3.31Å; Q204-M206 PolarHBondContact O-N 3.23Å
205M43.8Very low41Very low179 Ų179139.1 Ų139.188%0.88281%0.81SS**PPolyproline II helixtrans-72.1123172.3-73.1-173.8-175.600111K207M205-K207 PolarHBondContact O-N 3.43Å
206M40.9Very low40.4Very low174 Ų174139 Ų13986%0.85781%0.814SS**  trans-67.7111.5173.9-171.271.2173.800110.6Q204Q204-M206 PolarHBondContact O-N 3.23Å
207K40.5Very low40Very low192 Ų192140 Ų14084%0.83582%0.821SS**PPolyproline II helixtrans-71.1127.8167.9-69.1-177.4178179.90109.3M205M205-K207 PolarHBondContact O-N 3.43Å
208R40.5Very low39.6Very low243 Ų243139 Ų13992%0.91782%0.817SS**PPolyproline II helixtrans-97.6151.6162.9-83.4-173.1173177-1.2110.7
209S39.2Very low39Very low108 Ų108139 Ų13976%0.75581%0.808SS**PPolyproline II helixtrans-97.9148.8-156.4-59.90000114.7
210V35.8Very low38.3Very low132 Ų132144.6 Ų144.680%0.881%0.814SS**  trans57.4113.4140.7179.60000118.8
211S39.5Very low37.6Very low114 Ų114143 Ų14380%0.79781%0.805SS**  trans-146118.5132.1540000110.2
212H36.9Very low36.8Very low178 Ų178141.9 Ų141.982%0.82480%0.798SS**  trans-86.7156.2159.1-76.9-68.5000108.6
213P46.7Very low35.9Very low125 Ų125144.9 Ų144.981%0.81280%0.802SS**  -141.1147.9108.136.4-24.6000115
214G31.9Very low35.4Very low68 Ų68143.8 Ų143.870%0.70180%0.8SS**  72.4108.7129.900000120.6
215S32.3Very low34.8Very low116 Ų116140.5 Ų140.581%0.81179%0.787SS**  trans24.8127.5138.9-59.70000121.1
216C28.3Very low34.2Very low136 Ų136141.2 Ų141.292%0.91979%0.785SS**  -175.2153.999.5-97.40000112.7
217S31.7Very low33.6Very low117 Ų117141.4 Ų141.482%0.81878%0.784SS**  trans-99140.8-175.750.40000113.6
218S31.4Very low33.8Very low112 Ų112137 Ų13778%0.78378%0.775SS**  trans-170.1107.2150.3-1520000108.2
219E28.2Very low33.3Very low141 Ų141131.2 Ų131.266%0.65977%0.767SS**  69.2131.491.8-101.6-157.694.600116.9
220R33.5Very low32.9Very low216 Ų216131 Ų13182%0.81577%0.765SS**  trans71.7143160.2-71.8175.3-149-146.12118.8
221S28.7Very low32.6Very low98 Ų98130.1 Ų130.169%0.68576%0.76SS**  cis-157.4164.1-5.456.70000114.9
222S30.6Very low32.3Very low89 Ų89131.1 Ų131.162%0.62276%0.756SS**  trans63.199.5137.361.30000121.8
223H30.2Very low32.1Very low178 Ų178130 Ų13082%0.82475%0.75SS**  36.1121.8117-54.6-68.1000121.8
224S30Very low31.4Very low113 Ų113133.6 Ų133.679%0.7975%0.748SS**  -169.2110.2117.1-163.90000108.1
225I29.8Very low31.5Very low122 Ų122137.3 Ų137.363%0.62675%0.751SS**  78.9112.767.9-66.7180000114.1
226K30.5Very low31.5Very low194 Ų194135.8 Ų135.884%0.84374%0.741SS**  trans77.1103.1154.1-72168-170.4178.50121.6
227E28.6Very low32Very low177 Ų177138.1 Ų138.183%0.82774%0.738SS**  0.6170.1105.8-98.6-163.6166.900120.3
228P46Very low32.1Very low99 Ų99143.9 Ų143.964%0.64374%0.742SS**  cis-143.6170.3-7.631.5-8.1000118.1
229V28.7Very low32.2Very low123 Ų123147.7 Ų147.775%0.74574%0.739SS**  trans65.4135.4135.9168.10000124.4
230S31.2Very low32.5Very low104 Ų104149.1 Ų149.173%0.72774%0.738SS**  trans76.2152.8155.572.90000118.9
231T30.1Very low32.6Very low113 Ų113148.9 Ų148.969%0.69374%0.737SS**  cis-155.6145.414.1-21.40000113.2
232L32.2Very low32.9Very low135 Ų135150 Ų15071%0.70774%0.74SS**  trans55.4149.9142.4-85.8168.4000125.3
233H33.3Very low32.9Very low153 Ų153155.4 Ų155.471%0.70875%0.748SS**  trans79.3143.3153.4-72-37.5000119.6
234R33Very low33.2Very low201 Ų201150.8 Ų150.876%0.75874%0.736SS**  cis-174.1146.6-7.2172.4177.1-157.3-167.68.3112
235L33.5Very low33.3Very low147 Ų147151.8 Ų151.877%0.7773%0.732SS**  trans63.8158.9165.9-98.869.9000116.4
236S32.8Very low33.7Very low84 Ų84151.6 Ų151.659%0.58774%0.737SS**  cis-164.1141.7-0.332.20000111.7
237Q37.7Very low33.8Very low185 Ų185149.7 Ų149.786%0.86474%0.736SS**  trans58.4146.3148-58.1172.87.500118
238R34.7Very low34Very low237 Ų237145.7 Ų145.789%0.89473%0.728SS**  cis-152.2134.412.5-158.5179.3172.5172.7-4.2110.5
239R33.3Very low33.3Very low192 Ų192146.9 Ų146.973%0.72574%0.737SS**  trans-38.9164.5150.9-75-179.4171-173.71.4113.7
240R34.9Very low33.5Very low172 Ų172147.9 Ų147.965%0.64974%0.738SS**  cis-166.4157.81.8-109.4172.1-174.4-1680106.1
241R35.6Very low33.5Very low211 Ų211150.6 Ų150.680%0.79675%0.745SS**  54.7130.580.5-121.3-169.2-155.3-170.76.6111.6
242T34.2Very low34Very low120 Ų120152.1 Ų152.174%0.73675%0.747SS**  cis-168.5145.449.721.40000109.7
243Y30.1Very low34.6Very low204 Ų204152 Ų15280%0.875%0.754SS**  79.2120.885-155.2-90.3000116
244S36.8Very low34.6Very low80 Ų80151.5 Ų151.556%0.55976%0.756SS**  trans33.6165.7155.7-40.20000122
245D31.8Very low34.7Very low135 Ų135149.5 Ų149.572%0.72276%0.755SS**  cis-154-171.225.2-110.1-49000113.3
246T38.9Very low34.8Very low117 Ų117148.9 Ų148.972%0.71875%0.753SS**  trans-32.5155.5171.453.40000118
247D32Very low35.8Very low155 Ų155149.1 Ų149.183%0.82975%0.752SS**  -173.1-175.471.5-139.9-39.3000115.2
248S34Very low35.6Very low93 Ų93148.1 Ų148.165%0.6575%0.753SS**  trans-78.8157.9-172.4-175.20000117
249C30.7Very low35.6Very low124 Ų124147.6 Ų147.684%0.83875%0.751SS**  -173.9158.7126.7-107.70000114.4
250N32Very low36.2Very low144 Ų144143.4 Ų143.477%0.7775%0.748SS**  trans-80.5165.4175.4-51.7-76.4000112
251D32.2Very low36.1Very low161 Ų161142.3 Ų142.386%0.86176%0.761SS**  -164.4149.5126.8-108.4-33.5000114.4
252I39.2Very low35.8Very low145 Ų145140.6 Ų140.674%0.74476%0.761SS**  trans-115.2139.4170.5-71.7177.5000107.9
253P44.8Very low35.4Very low131 Ų131140.2 Ų140.285%0.85176%0.762SS**  trans-109.4155.2149.5-9.429.4000113.5
254L35.1Very low35.5Very low144 Ų144135.4 Ų135.475%0.75476%0.759SS**  trans-130.3160-168-177.473.5000110.2
255E34.2Very low35.3Very low158 Ų158140.5 Ų140.574%0.73877%0.771SS**  trans65.9162.4174.6-48.1-57.971.500119
256D35.4Very low35.3Very low134 Ų134140.1 Ų140.172%0.71777%0.769SS**  -160.1-149.7-51.4-167.824.2000107.1
257P54.4Low34.9Very low90 Ų90139.1 Ų139.158%0.58476%0.763SS**  -104.8158.9-125.138.1-22.9000115.5
258D33.2Very low35.1Very low164 Ų164138.8 Ų138.888%0.87776%0.76SS**  -177.1164.9113.8-118.8-43.7000115.2
259R34.2Very low35.2Very low226 Ų226141.3 Ų141.385%0.85377%0.766SS**  trans-87.3-171.5-173.7-103.4-172.9166.2-167.6-0.7113.8
260P47.2Very low35.1Very low103 Ų103138.8 Ų138.867%0.66976%0.761SS**  cis-139.6148.1-44.936.5-19.6000114.6
261V31.7Very low35.3Very low150 Ų150139.1 Ų139.191%0.90976%0.763SS**  trans-143.6148.6158.2-176.80000113
262H29.6Very low35.4Very low174 Ų174139.1 Ų139.181%0.80676%0.762SS**  trans-74.1165.7-172.1-81.4-93.4000118.5
263C25.7Very low35.3Very low112 Ų112136.3 Ų136.376%0.75776%0.761SS**  trans79.7113.5142.7-84.60000120.6
264S31.5Very low34.7Very low104 Ų104135.5 Ų135.573%0.72776%0.758SS**  -167.2133.290.9-810000113.8
265K34.5Very low34.6Very low186 Ų186132.8 Ų132.881%0.80976%0.756SS**  45.1143.3128.1-63.6-173.7171.8175.70118.8
266N30.5Very low34.6Very low127 Ų127131.8 Ų131.868%0.67976%0.761SS**  cis-172.4169.717.7-127.234.2000107.5
267T30.9Very low34.8Very low97 Ų97132.5 Ų132.560%0.59576%0.763SS**  cis-157.6-168.1-0.7-17.20000108.4
268L35.9Very low34.2Very low147 Ų147134.1 Ų134.177%0.7777%0.774SS**  trans85.9131.7162.1-52.1174.9000117.4
269N35.6Very low34.5Very low146 Ų146134.4 Ų134.478%0.78177%0.77SS**  cis-164144.2-31.2-117.411.1000107.3
270G30.1Very low34.5Very low71 Ų71130.8 Ų130.873%0.73276%0.763SS**  trans-103.9154.1179.400000114.1
271D34.7Very low33.8Very low152 Ų152131.3 Ų131.381%0.81377%0.769SS**  trans-35157175.3-62.3-77.9000119.9
272L35.5Very low34.1Very low161 Ų161135.2 Ų135.284%0.84377%0.767SS**  -173.2137.597.2-134.874.1000114.8
273A35.6Very low34.3Very low86 Ų86135.5 Ų135.571%0.71177%0.773SS**  trans31.2147.714400000122
274S33Very low34.7Very low114 Ų114138.7 Ų138.780%0.79778%0.78SS**  cis-175.3154.743.7-148.50000115.3
275A33.7Very low34.8Very low86 Ų86138.1 Ų138.171%0.71178%0.781SS**  trans40.1132148.300000124.1
276T32.8Very low34.7Very low138 Ų138138.1 Ų138.185%0.84778%0.781SS**  176.9145.5107.9-69.30000111.9
277I41Very low34.7Very low149 Ų149140.6 Ų140.676%0.76479%0.786SS**  trans-103.2154.9-179.9-57.7165.1000109.9
278P42.3Very low34.8Very low124 Ų124144.2 Ų144.281%0.80579%0.793SS**  -137.5147.9120.925.6-6.9000116
279E38.3Very low34.6Very low170 Ų170141 Ų14179%0.79478%0.783SS**  trans-56.8172.7154.3-117.1172.6130.600111.4
280E35.3Very low34.5Very low150 Ų150142.2 Ų142.270%0.70178%0.784SS**  cis-160.2158.63.4-163.7-150.3126.300106.8
281S31Very low34.8Very low113 Ų113143.5 Ų143.579%0.7978%0.782SS**  164.6116.2128.7470000112.7
282R37.8Very low34.9Very low232 Ų232145.5 Ų145.588%0.87579%0.786SS**  trans-105.8134160.1-80.7178.3168.9179.7-2.1108.2
283L35.3Very low35.1Very low180 Ų180145.2 Ų145.294%0.94279%0.785SS**  trans-131.5116.6154.2-77.9177.5000111
284M32.7Very low35.3Very low180 Ų180147.9 Ų147.989%0.88779%0.793SS**  trans-95.2171.4161.2-100.8-85.3-175.100108.8
285A35.1Very low36.2Very low91 Ų91149.9 Ų149.975%0.75279%0.794SS**  trans85.1143166.600000116.7
286K32.4Very low37.4Very low186 Ų186150.8 Ų150.881%0.80979%0.793SS**  cis-178.1172.6-7.8165.9166.8-178.2170.70109.4
287K30.2Very low38.1Very low180 Ų180150 Ų15078%0.78379%0.793SS**  trans78.1143.5167.2-91.4169178.2-179.70115.5
288K31.8Very low39Very low172 Ų172151.5 Ų151.575%0.74879%0.794SS**  cis-165.3159.3-6.3-153.7-169.8168.8-154.70109.6
289S31.6Very low39.6Very low79 Ų79150.8 Ų150.855%0.55279%0.792SS**  trans36.2137.614660.10000119.8
290E34.8Very low40.2Very low172 Ų172151.9 Ų151.980%0.80482%0.819SS**  -153.3127.257.4-84.2166121.800108.7
291S35.8Very low40.5Very low98 Ų98152 Ų15269%0.68583%0.825SS**  49112.594.3650000116
292E37.4Very low41Very low195 Ų195154.1 Ų154.191%0.91183%0.827SS**  -165.2146.3113.2-105.7-179123.300111.8
293D39.5Very low41.1Very low154 Ų154149.7 Ų149.782%0.82482%0.824SS**  trans-76.8149.1173.1-76.1-70000111.2
294T39.2Very low41.5Very low142 Ų142147.9 Ų147.987%0.87182%0.817SS**  trans-146.6114.8152-50.80000110.4
295L52.6Low42Very low156 Ų156145.9 Ų145.982%0.81781%0.813SS**PPolyproline II helixtrans-74.5159.6173.7-79.8166.8000111.6
296P57.8Low42.5Very low106 Ų106149.6 Ų149.669%0.68882%0.817SS**PPolyproline II helixtrans-76.9144.9-17631.8-35.6000112.8
297S49.4Very low43.2Very low122 Ų122147 Ų14785%0.85382%0.817SS**PPolyproline II helixtrans-83.7137.7167.5-167.30000111.3
298F58.6Low44.2Very low179 Ų179144.5 Ų144.579%0.78582%0.82SS**PPolyproline II helixtrans-93.4162.4169.1-95.5-90.6000111.7
299S55.9Low45.2Very low109 Ų109142.2 Ų142.276%0.76283%0.826SS**  trans73141.1162.8-46.90000116.4
300S50.4Low46.5Very low194 Ų194147.9 Ų147.9100%1.35785%0.851SS**  cis-137.204.8-690000111.6

Retrieved 300 of 300 residues in 98.3 ms (Link to these results)

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