A0A077Z189_TRITR Loading...

Large ribosomal subunit protein eL20

AlphaFold DB , UniProt , Accession A0A077Z189, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 273 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
1M90.3Very high96.1Very high64 Ų6449.8 Ų49.832%0.31522%0.22SC..  0143.70-69.4-62.9-105.100109F27 V100 T101 Y104M1-F27 HydrophobicContact CB-CB 4.39Å; M1-F27 HydrophobicContact CE-CB 4.22Å; M1-F27 WeakPolarHBondContact CE-O 3.38Å; M1-V100 HydrophobicContact CB-CG1 4.26Å; M1-V100 HydrophobicContact CG-CG1 4.21Å; M1-T101 WeakPolarHBondContact CB-OG1 3.35Å; M1-T101 PolarHBondContact N-OG1 3Å; M1-Y104 HydrophobicContact CE-CD2 3.97Å; M1-Y104 HydrophobicContact CE-CE1 4.28Å; M1-Y104 HydrophobicContact CE-CE2 3.49Å; M1-Y104 VanDerWaalsContact CE-CE2 3.49Å; M1-Y104 HydrophobicContact CG-CD2 4.08Å; M1-Y104 HydrophobicContact CG-CE2 4.44Å
2R94.5Very high96.1Very high141 Ų14151.2 Ų51.253%0.53224%0.238SC..EExtended strand (participates in β ladder)trans-107.7146.8172-65180-176.7-1762.1109.2Y4 F27 A28 L60R2-Y4 HydrophobicContact CB-CD2 4.38Å; R2-Y4 HydrophobicContact CB-CE2 3.63Å; R2-F27 CarbonylContact O-C 3.53Å; R2-F27 VanDerWaalsContact O-CA 3.29Å; R2-F27 WeakPolarHBondContact O-CA 3.48Å; R2-A28 WeakPolarHBondContact CB-O 3.5Å; R2-A28 PolarHBondContact N-O 3.16Å; R2-A28 PolarHBondContact O-N 3.46Å; R2-L60 HydrophobicContact CB-CD1 3.76Å; R2-L60 HydrophobicContact CG-CD1 4.33Å
3E96.1Very high96Very high31 Ų3150.8 Ų50.815%0.14525%0.245CC..EExtended strand (participates in β ladder)trans-92.6124.1179.1-176.8172.416900109.9R25 F27 L60 V61 A97E3-R25 VanDerWaalsContact CD-NH2 3.33Å; E3-R25 HydrophobicContact CG-CG 4.36Å; E3-R25 IonicContact OE1-CZ 2.74Å; E3-R25 VanDerWaalsContact OE1-CZ 3.25Å; E3-R25 IonicContact OE1-NE 3.62Å; E3-R25 PolarHBondContact OE1-NE 3.08Å; E3-R25 IonicContact OE1-NH2 3.46Å; E3-R25 PolarHBondContact OE1-NH2 2.97Å; E3-R25 IonicContact OE2-CZ 3.01Å; E3-R25 IonicContact OE2-NE 2.76Å; E3-R25 IonicContact OE2-NH2 3.19Å; E3-R25 PolarHBondContact OE2-NH2 3.42Å; E3-F27 HydrophobicContact CB-CD1 4.02Å; E3-F27 HydrophobicContact CB-CE1 3.63Å; E3-F27 HydrophobicContact CB-CZ 4.26Å; E3-F27 HydrophobicContact CG-CD1 4.38Å; E3-F27 HydrophobicContact CG-CE1 3.74Å; E3-F27 HydrophobicContact CG-CZ 3.84Å; E3-L60 WeakPolarHBondContact O-CD1 3.33Å; E3-V61 HydrophobicContact CB-CB 4.09Å; E3-V61 HydrophobicContact CB-CG2 4.47Å; E3-V61 HydrophobicContact CG-CB 3.93Å; E3-V61 HydrophobicContact CG-CG2 3.86Å; E3-V61 PolarHBondContact O-N 3.13Å; E3-A97 HydrophobicContact CB-CB 4.32Å
4Y97.6Very high95.9Very high10 Ų1055.5 Ų55.54%0.03930%0.296CS..EExtended strand (participates in β ladder)trans-119144.1175.9-64.8-88.6000110.1R2 I26 A28 N30 Y31 A34 M59 L60R2-Y4 HydrophobicContact CB-CD2 4.38Å; R2-Y4 HydrophobicContact CB-CE2 3.63Å; Y4-I26 PolarHBondContact N-O 3.17Å; Y4-I26 PolarHBondContact O-N 3.31Å; Y4-A28 HydrophobicContact CD2-CB 4.18Å; Y4-A28 HydrophobicContact CE2-CB 4.21Å; Y4-N30 WeakPolarHBondContact OH-CA 3.35Å; Y4-Y31 PolarHBondContact OH-N 3.3Å; Y4-A34 HydrophobicContact CD1-CB 4.41Å; Y4-A34 HydrophobicContact CD2-CB 3.67Å; Y4-A34 HydrophobicContact CE2-CB 4.3Å; Y4-A34 HydrophobicContact CG-CB 3.73Å; Y4-M59 CarbonylContact C-O 3.47Å; Y4-M59 VanDerWaalsContact CA-O 3.26Å; Y4-M59 WeakPolarHBondContact CA-O 3.35Å; Y4-L60 HydrophobicContact CD1-CB 4.14Å; Y4-L60 HydrophobicContact CD1-CD1 4.26Å; Y4-L60 HydrophobicContact CE1-CB 3.87Å; Y4-L60 HydrophobicContact CE1-CD1 3.79Å; Y4-L60 HydrophobicContact CE1-CG 4.43Å; Y4-L60 HydrophobicContact CE2-CD1 4.38Å
5I97.5Very high95.8Very high26 Ų2666 Ų6613%0.13334%0.338CS..EExtended strand (participates in β ladder)trans-105.6115.6164-70.1170.3000106.5I7 K23 M59 V61I5-I7 HydrophobicContact CG2-CD1 4.39Å; I5-I7 HydrophobicContact CG2-CG1 4.13Å; I5-K23 HydrophobicContact CG2-CD 4.14Å; I5-K23 HydrophobicContact CG2-CG 3.88Å; I5-M59 HydrophobicContact CB-CE 3.76Å; I5-M59 HydrophobicContact CB-CG 3.94Å; I5-M59 HydrophobicContact CD1-CE 3.56Å; I5-M59 HydrophobicContact CG1-CE 4.23Å; I5-M59 HydrophobicContact CG2-CE 3.87Å; I5-M59 HydrophobicContact CG2-CG 4.5Å; I5-M59 PolarHBondContact N-O 2.85Å; I5-M59 PolarHBondContact O-N 2.84Å; I5-V61 HydrophobicContact CB-CG2 4.41Å; I5-V61 HydrophobicContact CD1-CG2 3.59Å; I5-V61 HydrophobicContact CG1-CG2 3.6Å
6V98Very high95.6Very high0 Ų066.1 Ų66.10%034%0.336CS..EExtended strand (participates in β ladder)trans-110.9126.1177.5-171.80000108.4M24 I26 A34 F38 I55 S57 A58V6-M24 PolarHBondContact N-O 3.33Å; V6-M24 PolarHBondContact O-N 2.91Å; V6-I26 HydrophobicContact CB-CD1 4.2Å; V6-I26 HydrophobicContact CG2-CD1 4.01Å; V6-A34 HydrophobicContact CG2-CB 4.23Å; V6-F38 HydrophobicContact CB-CB 4.17Å; V6-F38 HydrophobicContact CB-CD2 3.79Å; V6-F38 HydrophobicContact CB-CE2 4.48Å; V6-F38 HydrophobicContact CB-CG 4.12Å; V6-F38 HydrophobicContact CG1-CB 3.75Å; V6-F38 HydrophobicContact CG1-CD1 4.08Å; V6-F38 HydrophobicContact CG1-CD2 3.59Å; V6-F38 HydrophobicContact CG1-CE2 4.19Å; V6-F38 HydrophobicContact CG1-CG 3.52Å; V6-I55 HydrophobicContact CG1-CD1 4.34Å; V6-I55 HydrophobicContact CG1-CG1 4.3Å; V6-I55 HydrophobicContact CG1-CG2 3.98Å; V6-S57 CarbonylContact C-O 3.59Å; V6-S57 WeakPolarHBondContact CA-O 3.44Å; V6-A58 HydrophobicContact CG1-CB 4.37Å; V6-A58 HydrophobicContact CG2-CB 4.37Å
7I97.8Very high95.6Very high39 Ų3974.2 Ų74.220%0.236%0.362CS..EExtended strand (participates in β ladder)trans-118.2126.5179.2-55.8176.3000107.4I5 L21 Y22 K23 I55 V56 S57I5-I7 HydrophobicContact CG2-CD1 4.39Å; I5-I7 HydrophobicContact CG2-CG1 4.13Å; I7-L21 HydrophobicContact CG2-CB 4.24Å; I7-L21 HydrophobicContact CG2-CD2 3.95Å; I7-Y22 VanDerWaalsContact CA-O 3.3Å; I7-Y22 WeakPolarHBondContact CA-O 3.32Å; I7-K23 HydrophobicContact CD1-CD 4.32Å; I7-K23 HydrophobicContact CD1-CG 4.42Å; I7-K23 HydrophobicContact CG1-CB 4.06Å; I7-K23 HydrophobicContact CG1-CD 4.39Å; I7-K23 HydrophobicContact CG1-CG 3.95Å; I7-I55 CarbonylContact O-C 3.5Å; I7-V56 HydrophobicContact CG2-CB 4.49Å; I7-V56 PolarHBondContact O-N 3.38Å; I7-S57 PolarHBondContact N-O 3.48Å; I7-S57 PolarHBondContact O-N 3.39Å
8G97.3Very high95.5Very high0 Ų077.7 Ų77.70%038%0.382CS..EExtended strand (participates in β ladder)trans-150167.9176.300000111.8Y22 F38 E54G8-Y22 PolarHBondContact N-O 2.97Å; G8-Y22 PolarHBondContact O-N 3.1Å; G8-F38 VanDerWaalsContact CA-CZ 3.49Å; G8-E54 CarbonylContact C-O 3.54Å; G8-E54 WeakPolarHBondContact CA-O 3.49Å
9R95.6Very high95.5Very high76 Ų7674.1 Ų74.129%0.28737%0.365SS..EExtended strand (participates in β ladder)trans-145.8169.9-178.656.3179.6-173.8-176.81.9110.5P20 L21 G53 E54 V56R9-P20 WeakPolarHBondContact CB-O 3.23Å; R9-L21 HydrophobicContact CB-CD2 4.06Å; R9-L21 HydrophobicContact CG-CD2 4.09Å; R9-G53 CarbonylContact O-C 3.49Å; R9-G53 WeakPolarHBondContact O-CA 3.43Å; R9-E54 HydrophobicContact CG-CG 3.97Å; R9-E54 IonicContact CZ-OE1 3.37Å; R9-E54 PolarHBondContact N-O 2.93Å; R9-E54 IonicContact NE-OE1 2.83Å; R9-E54 PolarHBondContact NE-OE1 2.85Å; R9-E54 IonicContact NH2-OE1 3.5Å; R9-E54 PolarHBondContact NH2-OE1 2.9Å; R9-E54 PolarHBondContact O-N 3.1Å; R9-V56 HydrophobicContact CG-CG2 3.92Å
10K96.6Very high95.5Very high82 Ų8273.4 Ų73.436%0.35737%0.367SS..EExtended strand (participates in β ladder)trans-67.4153.2164-167.5-177.9174-171.80109.2E16 P19 V48 H52K10-E16 IonicContact NZ-OE2 3.5Å; K10-P19 HydrophobicContact CB-CB 4.01Å; K10-P19 HydrophobicContact CB-CG 4.49Å; K10-P19 WeakPolarHBondContact O-CG 3.41Å; K10-V48 HydrophobicContact CB-CG1 4.35Å; K10-V48 HydrophobicContact CB-CG2 4.46Å; K10-H52 WeakPolarHBondContact CA-O 3.38Å; K10-H52 VanDerWaalsContact CG-O 3.29Å; K10-H52 WeakPolarHBondContact CG-O 3.47Å
11L95.7Very high95.5Very high79 Ų7974.9 Ų74.941%0.41438%0.375SS..PPolyproline II helixtrans-63.2135.5169.8-70172000109.5S13 H52 E54L11-S13 PolarHBondContact O-N 2.97Å; L11-H52 PolarHBondContact N-O 2.76Å; L11-E54 HydrophobicContact CD2-CB 4.2Å; L11-E54 HydrophobicContact CD2-CG 4.24Å
12P96Very high95.8Very high66 Ų6674.4 Ų74.443%0.42937%0.37SS..PPolyproline II helixtrans-51.3139169.9-29.137.3000111.7R17 P19P12-R17 WeakPolarHBondContact CB-O 3.49Å; P12-P19 HydrophobicContact CG-CG 4.26Å
13S94.8Very high95.9Very high47 Ų4774.5 Ų74.533%0.32938%0.375SS..BIsolated β-bridgetrans-135.3164.8177.667.50000110.3L11 K15 E16 R17L11-S13 PolarHBondContact O-N 2.97Å; S13-K15 PolarHBondContact O-N 2.95Å; S13-K15 VanDerWaalsContact O-N 3.14Å; S13-E16 PolarHBondContact N-O 3.37Å; S13-E16 CarbonylContact O-C 3.59Å; S13-E16 PolarHBondContact O-N 3.13Å; S13-E16 VanDerWaalsContact O-O 3.08Å; S13-E16 PolarHBondContact OG-N 3.41Å; S13-R17 PolarHBondContact O-N 3.36Å
14A95.3Very high95.9Very high116 Ų11674.6 Ų74.696%0.95938%0.376SS*.THydrogen-bonded Turntrans-55-33.9177.500000113
15K94Very high95.9Very high213 Ų21379.3 Ų79.393%0.92639%0.393SS*.THydrogen-bonded Turntrans-76.9-29.7177.3-63.8-173.4179.1-174.70113.3S13S13-K15 PolarHBondContact O-N 2.95Å; S13-K15 VanDerWaalsContact O-N 3.14Å
16E92.7Very high95.8Very high68 Ų6878.5 Ų78.532%0.31839%0.389SS..BIsolated β-bridgetrans-140.986.9-174.4-172.1-179.9-16300108.7K10 S13 P19 P20K10-E16 IonicContact NZ-OE2 3.5Å; S13-E16 PolarHBondContact N-O 3.37Å; S13-E16 CarbonylContact O-C 3.59Å; S13-E16 PolarHBondContact O-N 3.13Å; S13-E16 VanDerWaalsContact O-O 3.08Å; S13-E16 PolarHBondContact OG-N 3.41Å; E16-P19 HydrophobicContact CG-CB 4.11Å; E16-P20 WeakPolarHBondContact OE1-CD 3.24Å
17R95Very high95.7Very high204 Ų20479.1 Ų79.177%0.7739%0.392SS*.SBendtrans-67.8-35.7-176.6-173.4176177.5170.20.1112.4P12 S13 P19P12-R17 WeakPolarHBondContact CB-O 3.49Å; S13-R17 PolarHBondContact O-N 3.36Å; R17-P19 WeakPolarHBondContact O-CD 3.26Å
18N94.7Very high95.7Very high137 Ų13777.3 Ų77.373%0.73338%0.382SS*.SBendtrans-121.575.2-178-67.4-29.6000110.7
19P95.2Very high95.5Very high8 Ų880.9 Ų80.95%0.05241%0.406CS..PPolyproline II helixtrans-65.8147-179.825.3-31.3000111.5K10 P12 E16 R17K10-P19 HydrophobicContact CB-CB 4.01Å; K10-P19 HydrophobicContact CB-CG 4.49Å; K10-P19 WeakPolarHBondContact O-CG 3.41Å; P12-P19 HydrophobicContact CG-CG 4.26Å; E16-P19 HydrophobicContact CG-CB 4.11Å; R17-P19 WeakPolarHBondContact O-CD 3.26Å
20P95.7Very high95.6Very high61 Ų6180.4 Ų80.440%0.39641%0.409SS..PPolyproline II helixtrans-65.1143.1-176.526.4-34.9000112.2R9 E16 Y22R9-P20 WeakPolarHBondContact CB-O 3.23Å; E16-P20 WeakPolarHBondContact OE1-CD 3.24Å; P20-Y22 HydrophobicContact CG-CE1 4.4Å
21L96.4Very high95.5Very high105 Ų10582.9 Ų82.955%0.5542%0.417SS..PPolyproline II helixtrans-82.5128.6173.7-70.8166.2000110.6I7 R9 V56I7-L21 HydrophobicContact CG2-CB 4.24Å; I7-L21 HydrophobicContact CG2-CD2 3.95Å; R9-L21 HydrophobicContact CB-CD2 4.06Å; R9-L21 HydrophobicContact CG-CD2 4.09Å; L21-V56 HydrophobicContact CD2-CB 4.3Å; L21-V56 HydrophobicContact CD2-CG2 3.72Å
22Y96.5Very high95.6Very high53 Ų5383 Ų8321%0.20842%0.421CS..EExtended strand (participates in β ladder)trans-103.1115.9173.3-56.3-64.1000110.1I7 G8 P20 F38 R46 V48I7-Y22 VanDerWaalsContact CA-O 3.3Å; I7-Y22 WeakPolarHBondContact CA-O 3.32Å; G8-Y22 PolarHBondContact N-O 2.97Å; G8-Y22 PolarHBondContact O-N 3.1Å; P20-Y22 HydrophobicContact CG-CE1 4.4Å; Y22-F38 WeakPolarHBondContact O-CE2 3.31Å; Y22-R46 HydrophobicContact CD1-CG 3.95Å; Y22-R46 HydrophobicContact CE1-CB 4.38Å; Y22-R46 VanDerWaalsContact CE1-CD 3.48Å; Y22-R46 HydrophobicContact CE1-CG 3.64Å; Y22-R46 HydrophobicContact CE2-CB 4.22Å; Y22-R46 HydrophobicContact CE2-CG 4.27Å; Y22-R46 HydrophobicContact CG-CG 4.38Å; Y22-V48 HydrophobicContact CE2-CG2 4.08Å
23K96.6Very high95.6Very high144 Ų14482.4 Ų82.463%0.62642%0.416SS*.EExtended strand (participates in β ladder)trans-101.7122.4174.8177.8173.5171.4176.10109.8I5 I7I5-K23 HydrophobicContact CG2-CD 4.14Å; I5-K23 HydrophobicContact CG2-CG 3.88Å; I7-K23 HydrophobicContact CD1-CD 4.32Å; I7-K23 HydrophobicContact CD1-CG 4.42Å; I7-K23 HydrophobicContact CG1-CB 4.06Å; I7-K23 HydrophobicContact CG1-CD 4.39Å; I7-K23 HydrophobicContact CG1-CG 3.95Å
24M96Very high95.7Very high33 Ų3380.2 Ų80.216%0.16340%0.401CS..EExtended strand (participates in β ladder)trans-122.2138.9176.2-64-175174.700111V6 I26 F38 F41 C42 L45V6-M24 PolarHBondContact N-O 3.33Å; V6-M24 PolarHBondContact O-N 2.91Å; M24-I26 HydrophobicContact CB-CD1 4.13Å; M24-I26 HydrophobicContact CB-CG1 3.99Å; M24-F38 HydrophobicContact CB-CD2 4Å; M24-F38 HydrophobicContact CB-CE2 4.31Å; M24-F38 HydrophobicContact CG-CD2 3.98Å; M24-F38 HydrophobicContact CG-CE2 3.99Å; M24-F38 HydrophobicContact SD-CD2 3.75Å; M24-F38 HydrophobicContact SD-CE2 4.06Å; M24-F41 HydrophobicContact CE-CB 3.91Å; M24-F41 HydrophobicContact SD-CB 3.72Å; M24-C42 WeakPolarHBondContact CE-SG 3.24Å; M24-L45 HydrophobicContact CE-CD1 4.27Å
25R95.9Very high95.8Very high108 Ų10878.6 Ų78.641%0.40837%0.372SS..EExtended strand (participates in β ladder)trans-90.7114.6169.7-175.8-172.8-174.5-172.34.5108.4E3 F27 I123E3-R25 VanDerWaalsContact CD-NH2 3.33Å; E3-R25 HydrophobicContact CG-CG 4.36Å; E3-R25 IonicContact OE1-CZ 2.74Å; E3-R25 VanDerWaalsContact OE1-CZ 3.25Å; E3-R25 IonicContact OE1-NE 3.62Å; E3-R25 PolarHBondContact OE1-NE 3.08Å; E3-R25 IonicContact OE1-NH2 3.46Å; E3-R25 PolarHBondContact OE1-NH2 2.97Å; E3-R25 IonicContact OE2-CZ 3.01Å; E3-R25 IonicContact OE2-NE 2.76Å; E3-R25 IonicContact OE2-NH2 3.19Å; E3-R25 PolarHBondContact OE2-NH2 3.42Å; R25-F27 HydrophobicContact CG-CE2 3.96Å; R25-F27 HydrophobicContact CG-CZ 4.41Å; R25-I123 PolarHBondContact NH1-O 3.19Å
26I96.5Very high95.9Very high9 Ų972.2 Ų72.25%0.04635%0.354CS..EExtended strand (participates in β ladder)trans-124.5131.2-172-59.7-178000109.8Y4 V6 M24 A28 A34 R37 F38Y4-I26 PolarHBondContact N-O 3.17Å; Y4-I26 PolarHBondContact O-N 3.31Å; V6-I26 HydrophobicContact CB-CD1 4.2Å; V6-I26 HydrophobicContact CG2-CD1 4.01Å; M24-I26 HydrophobicContact CB-CD1 4.13Å; M24-I26 HydrophobicContact CB-CG1 3.99Å; I26-A28 HydrophobicContact CG2-CB 4.47Å; I26-A34 WeakPolarHBondContact CD1-O 3.44Å; I26-A34 HydrophobicContact CG2-CB 4.15Å; I26-R37 HydrophobicContact CD1-CB 4.4Å; I26-R37 HydrophobicContact CG2-CB 3.88Å; I26-F38 VanDerWaalsContact CD1-CA 3.47Å; I26-F38 HydrophobicContact CD1-CB 3.54Å; I26-F38 HydrophobicContact CD1-CD2 4.26Å; I26-F38 HydrophobicContact CD1-CG 4.42Å
27F96.6Very high96.1Very high13 Ų1371.1 Ų71.16%0.05735%0.347CS..EExtended strand (participates in β ladder)trans-101.3121.3173.5-66.1-93.1000109.6M1 R2 E3 R25 A96 A97 V100 L120 I123M1-F27 HydrophobicContact CB-CB 4.39Å; M1-F27 HydrophobicContact CE-CB 4.22Å; M1-F27 WeakPolarHBondContact CE-O 3.38Å; R2-F27 CarbonylContact O-C 3.53Å; R2-F27 VanDerWaalsContact O-CA 3.29Å; R2-F27 WeakPolarHBondContact O-CA 3.48Å; E3-F27 HydrophobicContact CB-CD1 4.02Å; E3-F27 HydrophobicContact CB-CE1 3.63Å; E3-F27 HydrophobicContact CB-CZ 4.26Å; E3-F27 HydrophobicContact CG-CD1 4.38Å; E3-F27 HydrophobicContact CG-CE1 3.74Å; E3-F27 HydrophobicContact CG-CZ 3.84Å; R25-F27 HydrophobicContact CG-CE2 3.96Å; R25-F27 HydrophobicContact CG-CZ 4.41Å; F27-A96 HydrophobicContact CE1-CB 4.39Å; F27-A96 HydrophobicContact CZ-CB 4.18Å; F27-A97 HydrophobicContact CD1-CB 4.41Å; F27-A97 HydrophobicContact CE1-CB 4.16Å; F27-V100 HydrophobicContact CB-CG1 3.82Å; F27-V100 HydrophobicContact CD1-CB 3.98Å; F27-V100 HydrophobicContact CD1-CG1 4.04Å; F27-V100 HydrophobicContact CD1-CG2 3.94Å; F27-V100 HydrophobicContact CD2-CG1 4.5Å; F27-V100 HydrophobicContact CD2-CG2 4.11Å; F27-V100 HydrophobicContact CE1-CB 4.31Å; F27-V100 HydrophobicContact CE1-CG2 3.92Å; F27-V100 HydrophobicContact CE2-CG2 4.13Å; F27-V100 HydrophobicContact CG-CB 4.21Å; F27-V100 HydrophobicContact CG-CG1 3.85Å; F27-V100 HydrophobicContact CG-CG2 4.02Å; F27-V100 HydrophobicContact CZ-CG2 4Å; F27-L120 HydrophobicContact CB-CD1 4.15Å; F27-L120 HydrophobicContact CD2-CD1 3.91Å; F27-L120 HydrophobicContact CG-CD1 4.28Å; F27-I123 HydrophobicContact CD2-CD1 3.71Å; F27-I123 HydrophobicContact CE2-CD1 3.14Å; F27-I123 HydrophobicContact CZ-CD1 3.7Å
28A96Very high96.2Very high1 Ų161.4 Ų61.41%0.00831%0.311CS..EExtended strand (participates in β ladder)trans-149.5159.3-17500000111.4R2 Y4 I26 V33 A34R2-A28 WeakPolarHBondContact CB-O 3.5Å; R2-A28 PolarHBondContact N-O 3.16Å; R2-A28 PolarHBondContact O-N 3.46Å; Y4-A28 HydrophobicContact CD2-CB 4.18Å; Y4-A28 HydrophobicContact CE2-CB 4.21Å; I26-A28 HydrophobicContact CG2-CB 4.47Å; A28-V33 HydrophobicContact CB-CB 4.13Å; A28-V33 HydrophobicContact CB-CG1 3.99Å; A28-A34 HydrophobicContact CB-CB 3.87Å
29P95Very high96.3Very high75 Ų7556.4 Ų56.449%0.48728%0.281SS..SBendtrans-66.2-38.7173.925-33.3000112.5V33P29-V33 HydrophobicContact CG-CB 4.25Å; P29-V33 HydrophobicContact CG-CG1 4.37Å; P29-V33 HydrophobicContact CG-CG2 4.12Å
30N95.8Very high96.3Very high67 Ų6759.8 Ų59.836%0.35829%0.294SS..SBendtrans-142.8170.2-17962.739.8000111.2Y4 V32 V33 A34Y4-N30 WeakPolarHBondContact OH-CA 3.35Å; N30-V32 VanDerWaalsContact C-N 3.31Å; N30-V32 PolarHBondContact O-N 2.8Å; N30-V32 PolarHBondContact OD1-N 2.9Å; N30-V33 PolarHBondContact O-N 2.7Å; N30-V33 WeakPolarHBondContact OD1-CG2 3.38Å; N30-V33 PolarHBondContact OD1-N 3.44Å; N30-A34 PolarHBondContact O-N 3.38Å; N30-A34 VanDerWaalsContact O-N 3.15Å
31Y95.9Very high96.3Very high133 Ų13358.8 Ų58.852%0.52228%0.283SS..Hα-helixtrans-67.6-29.4-176.775.5-88.4000112.8Y4 A34 K35Y4-Y31 PolarHBondContact OH-N 3.3Å; Y31-A34 WeakPolarHBondContact O-CB 3.29Å; Y31-A34 PolarHBondContact O-N 3.3Å; Y31-K35 HydrophobicContact CD2-CD 4.37Å; Y31-K35 WeakPolarHBondContact O-CG 3.26Å; Y31-K35 PolarHBondContact O-N 3.29Å
32V97.1Very high96.2Very high82 Ų8253.9 Ų53.950%0.49726%0.257SS..Hα-helixtrans-63.5-48.5178.4179.90000110.3N30 A34 K35 S36N30-V32 VanDerWaalsContact C-N 3.31Å; N30-V32 PolarHBondContact O-N 2.8Å; N30-V32 PolarHBondContact OD1-N 2.9Å; V32-A34 VanDerWaalsContact C-N 3.28Å; V32-A34 PolarHBondContact O-N 2.86Å; V32-K35 PolarHBondContact O-N 3.46Å; V32-S36 PolarHBondContact O-N 3.47Å
33V96.1Very high96.2Very high54 Ų5453.5 Ų53.533%0.32726%0.263SS..Hα-helixtrans-64.4-35.6175.3176.60000110.8A28 P29 N30 S36 R37A28-V33 HydrophobicContact CB-CB 4.13Å; A28-V33 HydrophobicContact CB-CG1 3.99Å; P29-V33 HydrophobicContact CG-CB 4.25Å; P29-V33 HydrophobicContact CG-CG1 4.37Å; P29-V33 HydrophobicContact CG-CG2 4.12Å; N30-V33 PolarHBondContact O-N 2.7Å; N30-V33 WeakPolarHBondContact OD1-CG2 3.38Å; N30-V33 PolarHBondContact OD1-N 3.44Å; V33-S36 PolarHBondContact O-N 2.71Å; V33-R37 HydrophobicContact CG1-CG 4.39Å; V33-R37 WeakPolarHBondContact O-CB 3.42Å; V33-R37 WeakPolarHBondContact O-CG 3.31Å; V33-R37 PolarHBondContact O-N 2.83Å
34A97.1Very high96.1Very high1 Ų151.7 Ų51.71%0.00826%0.255CS..Hα-helixtrans-61.8-47.2174.800000112.1Y4 V6 I26 A28 N30 Y31 V32 S36 R37 F38Y4-A34 HydrophobicContact CD1-CB 4.41Å; Y4-A34 HydrophobicContact CD2-CB 3.67Å; Y4-A34 HydrophobicContact CE2-CB 4.3Å; Y4-A34 HydrophobicContact CG-CB 3.73Å; V6-A34 HydrophobicContact CG2-CB 4.23Å; I26-A34 WeakPolarHBondContact CD1-O 3.44Å; I26-A34 HydrophobicContact CG2-CB 4.15Å; A28-A34 HydrophobicContact CB-CB 3.87Å; N30-A34 PolarHBondContact O-N 3.38Å; N30-A34 VanDerWaalsContact O-N 3.15Å; Y31-A34 WeakPolarHBondContact O-CB 3.29Å; Y31-A34 PolarHBondContact O-N 3.3Å; V32-A34 VanDerWaalsContact C-N 3.28Å; V32-A34 PolarHBondContact O-N 2.86Å; A34-S36 VanDerWaalsContact C-N 3.34Å; A34-S36 PolarHBondContact O-N 3.16Å; A34-R37 PolarHBondContact O-N 3Å; A34-F38 PolarHBondContact O-N 3.2Å
35K97.3Very high96Very high81 Ų8155.2 Ų55.235%0.35227%0.274SS..Hα-helixtrans-62-40.2175.3-67.8-173.6177.1-179.60111.9Y31 V32 F38 W39 I55 A58Y31-K35 HydrophobicContact CD2-CD 4.37Å; Y31-K35 WeakPolarHBondContact O-CG 3.26Å; Y31-K35 PolarHBondContact O-N 3.29Å; V32-K35 PolarHBondContact O-N 3.46Å; K35-F38 WeakPolarHBondContact O-CB 3.46Å; K35-F38 PolarHBondContact O-N 2.85Å; K35-W39 PolarHBondContact O-N 2.88Å; K35-I55 HydrophobicContact CB-CD1 3.75Å; K35-I55 HydrophobicContact CD-CD1 4.05Å; K35-I55 HydrophobicContact CG-CD1 3.76Å; K35-A58 HydrophobicContact CG-CB 4.16Å
36S96.4Very high95.9Very high79 Ų7956.7 Ų56.755%0.55228%0.28SS*.Hα-helixtrans-62.7-47.7176.1-179.30000112V32 V33 A34 F38 W39 Y40V32-S36 PolarHBondContact O-N 3.47Å; V33-S36 PolarHBondContact O-N 2.71Å; A34-S36 VanDerWaalsContact C-N 3.34Å; A34-S36 PolarHBondContact O-N 3.16Å; S36-F38 VanDerWaalsContact C-N 3.3Å; S36-F38 PolarHBondContact O-N 3.2Å; S36-W39 PolarHBondContact O-N 3.38Å; S36-Y40 PolarHBondContact O-N 3.34Å
37R95.4Very high95.8Very high45 Ų4564.2 Ų64.217%0.1731%0.312CS..Hα-helixtrans-62.1-35.8175.8-74.7-68.9-165.6162.210.1112.5I26 V33 A34 W39 Y40 F41 A115 D116I26-R37 HydrophobicContact CD1-CB 4.4Å; I26-R37 HydrophobicContact CG2-CB 3.88Å; V33-R37 HydrophobicContact CG1-CG 4.39Å; V33-R37 WeakPolarHBondContact O-CB 3.42Å; V33-R37 WeakPolarHBondContact O-CG 3.31Å; V33-R37 PolarHBondContact O-N 2.83Å; A34-R37 PolarHBondContact O-N 3Å; R37-W39 PolarHBondContact O-N 3.12Å; R37-Y40 WeakPolarHBondContact O-CB 3.29Å; R37-Y40 PolarHBondContact O-N 3.17Å; R37-F41 HydrophobicContact CB-CE2 4.46Å; R37-F41 WeakPolarHBondContact O-CD2 3.47Å; R37-F41 PolarHBondContact O-N 3.28Å; R37-A115 PolarHBondContact NH2-O 3.3Å; R37-D116 PolarHBondContact NH1-O 3.3Å; R37-D116 VanDerWaalsContact NH2-CA 3.32Å; R37-D116 PolarHBondContact NH2-O 3.49Å; R37-D116 VanDerWaalsContact NH2-O 3.15Å
38F97.1Very high95.7Very high1 Ų164.3 Ų64.30%0.00431%0.313CS..Hα-helixtrans-57.3-48.9174.6176.7-97.8000111.3V6 G8 Y22 M24 I26 A34 K35 S36 Y40 F41 C42 I55V6-F38 HydrophobicContact CB-CB 4.17Å; V6-F38 HydrophobicContact CB-CD2 3.79Å; V6-F38 HydrophobicContact CB-CE2 4.48Å; V6-F38 HydrophobicContact CB-CG 4.12Å; V6-F38 HydrophobicContact CG1-CB 3.75Å; V6-F38 HydrophobicContact CG1-CD1 4.08Å; V6-F38 HydrophobicContact CG1-CD2 3.59Å; V6-F38 HydrophobicContact CG1-CE2 4.19Å; V6-F38 HydrophobicContact CG1-CG 3.52Å; G8-F38 VanDerWaalsContact CA-CZ 3.49Å; Y22-F38 WeakPolarHBondContact O-CE2 3.31Å; M24-F38 HydrophobicContact CB-CD2 4Å; M24-F38 HydrophobicContact CB-CE2 4.31Å; M24-F38 HydrophobicContact CG-CD2 3.98Å; M24-F38 HydrophobicContact CG-CE2 3.99Å; M24-F38 HydrophobicContact SD-CD2 3.75Å; M24-F38 HydrophobicContact SD-CE2 4.06Å; I26-F38 VanDerWaalsContact CD1-CA 3.47Å; I26-F38 HydrophobicContact CD1-CB 3.54Å; I26-F38 HydrophobicContact CD1-CD2 4.26Å; I26-F38 HydrophobicContact CD1-CG 4.42Å; A34-F38 PolarHBondContact O-N 3.2Å; K35-F38 WeakPolarHBondContact O-CB 3.46Å; K35-F38 PolarHBondContact O-N 2.85Å; S36-F38 VanDerWaalsContact C-N 3.3Å; S36-F38 PolarHBondContact O-N 3.2Å; F38-Y40 PolarHBondContact O-N 3.43Å; F38-F41 PolarHBondContact O-N 2.77Å; F38-C42 VanDerWaalsContact CE1-SG 3.53Å; F38-C42 VanDerWaalsContact CE2-SG 3.54Å; F38-C42 WeakPolarHBondContact CZ-SG 3.34Å; F38-C42 WeakPolarHBondContact O-CB 3.48Å; F38-C42 PolarHBondContact O-N 3.17Å; F38-C42 PolarHBondContact O-SG 3.2Å; F38-C42 VanDerWaalsContact O-SG 3.34Å; F38-I55 HydrophobicContact CD1-CD1 4.18Å; F38-I55 HydrophobicContact CD1-CG1 3.93Å; F38-I55 HydrophobicContact CE1-CG1 4.07Å
39W97.2Very high95.7Very high31 Ų3170.6 Ų70.612%0.11734%0.341CS..Hα-helixtrans-66.4-36.3177.9-70.1122.4000113.1K35 S36 R37 F41 C42 S43 V48 K50 G53 I55K35-W39 PolarHBondContact O-N 2.88Å; S36-W39 PolarHBondContact O-N 3.38Å; R37-W39 PolarHBondContact O-N 3.12Å; W39-F41 PolarHBondContact O-N 2.74Å; W39-C42 HydrophobicContact CE3-CB 4.38Å; W39-S43 VanDerWaalsContact O-CB 3.31Å; W39-S43 WeakPolarHBondContact O-CB 3.26Å; W39-S43 PolarHBondContact O-N 3.15Å; W39-S43 PolarHBondContact O-OG 3.36Å; W39-V48 HydrophobicContact CZ3-CG1 4.09Å; W39-K50 HydrophobicContact CB-CB 4.44Å; W39-K50 HydrophobicContact CD2-CB 3.7Å; W39-K50 HydrophobicContact CD2-CG 4.11Å; W39-K50 HydrophobicContact CE3-CB 4.15Å; W39-K50 HydrophobicContact CG-CB 3.83Å; W39-K50 HydrophobicContact CG-CD 4.45Å; W39-K50 HydrophobicContact CG-CG 4.19Å; W39-K50 HydrophobicContact CZ2-CG 4.32Å; W39-G53 VanDerWaalsContact CH2-C 3.42Å; W39-I55 HydrophobicContact CZ2-CD1 4.08Å; W39-I55 HydrophobicContact CZ2-CG1 3.67Å; W39-I55 VanDerWaalsContact NE1-CD1 3.32Å
40Y95.2Very high95.8Very high80 Ų8074.4 Ų74.431%0.31435%0.349SS..Hα-helixtrans-57-49.4172.7176.9-91.6000111.4S36 R37 F38 S43 K44 Q119S36-Y40 PolarHBondContact O-N 3.34Å; R37-Y40 WeakPolarHBondContact O-CB 3.29Å; R37-Y40 PolarHBondContact O-N 3.17Å; F38-Y40 PolarHBondContact O-N 3.43Å; Y40-S43 PolarHBondContact O-OG 3.37Å; Y40-K44 HydrophobicContact CD1-CD 4.45Å; Y40-K44 HydrophobicContact CE1-CD 3.9Å; Y40-K44 HydrophobicContact CE2-CD 4.48Å; Y40-K44 VanDerWaalsContact CZ-CE 3.41Å; Y40-K44 VanDerWaalsContact CZ-NZ 3.3Å; Y40-K44 WeakPolarHBondContact O-CG 3.27Å; Y40-K44 PolarHBondContact O-N 3.11Å; Y40-K44 WeakPolarHBondContact OH-CE 3.42Å; Y40-K44 PolarHBondContact OH-NZ 3.45Å; Y40-Q119 PolarHBondContact OH-NE2 3.24Å
41F95.4Very high95.8Very high40 Ų4075.4 Ų75.418%0.17536%0.361CS..Hα-helixtrans-73.6-40.2179.9-69.4-61000113M24 R37 F38 W39 S43 K44 L45 Q119M24-F41 HydrophobicContact CE-CB 3.91Å; M24-F41 HydrophobicContact SD-CB 3.72Å; R37-F41 HydrophobicContact CB-CE2 4.46Å; R37-F41 WeakPolarHBondContact O-CD2 3.47Å; R37-F41 PolarHBondContact O-N 3.28Å; F38-F41 PolarHBondContact O-N 2.77Å; W39-F41 PolarHBondContact O-N 2.74Å; F41-S43 VanDerWaalsContact C-N 3.34Å; F41-S43 PolarHBondContact O-N 3.22Å; F41-K44 PolarHBondContact O-N 2.9Å; F41-L45 HydrophobicContact CB-CD1 4.27Å; F41-L45 VanDerWaalsContact O-CB 3.31Å; F41-L45 WeakPolarHBondContact O-CB 3.49Å; F41-L45 WeakPolarHBondContact O-CG 3.42Å; F41-L45 PolarHBondContact O-N 3.04Å; F41-Q119 HydrophobicContact CE1-CB 4.41Å; F41-Q119 HydrophobicContact CE1-CG 4.22Å; F41-Q119 HydrophobicContact CZ-CB 4.39Å; F41-Q119 HydrophobicContact CZ-CG 4.28Å
42C95.4Very high95.7Very high1 Ų174.4 Ų74.41%0.00736%0.361CS..Hα-helixtrans-62.1-40177.9-75.40000112.6M24 F38 W39 K44 R46 K47 V48M24-C42 WeakPolarHBondContact CE-SG 3.24Å; F38-C42 VanDerWaalsContact CE1-SG 3.53Å; F38-C42 VanDerWaalsContact CE2-SG 3.54Å; F38-C42 WeakPolarHBondContact CZ-SG 3.34Å; F38-C42 WeakPolarHBondContact O-CB 3.48Å; F38-C42 PolarHBondContact O-N 3.17Å; F38-C42 PolarHBondContact O-SG 3.2Å; F38-C42 VanDerWaalsContact O-SG 3.34Å; W39-C42 HydrophobicContact CE3-CB 4.38Å; C42-K44 VanDerWaalsContact C-N 3.33Å; C42-K44 PolarHBondContact O-N 3.19Å; C42-R46 CarbonylContact O-C 3.58Å; C42-R46 WeakPolarHBondContact O-CA 3.35Å; C42-R46 PolarHBondContact O-N 2.92Å; C42-K47 PolarHBondContact O-N 3.4Å; C42-V48 CarbonylContact C-O 3.59Å; C42-V48 PolarHBondContact O-N 3.22Å
43S96.4Very high95.7Very high46 Ų4671 Ų7132%0.32234%0.343SS..Hα-helixtrans-65.8-36.4176.762.70000112.3W39 Y40 F41 K47 V48W39-S43 VanDerWaalsContact O-CB 3.31Å; W39-S43 WeakPolarHBondContact O-CB 3.26Å; W39-S43 PolarHBondContact O-N 3.15Å; W39-S43 PolarHBondContact O-OG 3.36Å; Y40-S43 PolarHBondContact O-OG 3.37Å; F41-S43 VanDerWaalsContact C-N 3.34Å; F41-S43 PolarHBondContact O-N 3.22Å; S43-K47 WeakPolarHBondContact O-CA 3.38Å; S43-K47 PolarHBondContact O-N 3.25Å; S43-V48 VanDerWaalsContact CA-O 3.26Å; S43-V48 WeakPolarHBondContact CA-O 3.37Å; S43-V48 PolarHBondContact N-O 2.9Å
44K94.2Very high95.6Very high105 Ų10571.6 Ų71.646%0.45734%0.342SS..Hα-helixtrans-74-49.9176.9-72-172.9171.9-158.50113.3Y40 F41 C42 K47Y40-K44 HydrophobicContact CD1-CD 4.45Å; Y40-K44 HydrophobicContact CE1-CD 3.9Å; Y40-K44 HydrophobicContact CE2-CD 4.48Å; Y40-K44 VanDerWaalsContact CZ-CE 3.41Å; Y40-K44 VanDerWaalsContact CZ-NZ 3.3Å; Y40-K44 WeakPolarHBondContact O-CG 3.27Å; Y40-K44 PolarHBondContact O-N 3.11Å; Y40-K44 WeakPolarHBondContact OH-CE 3.42Å; Y40-K44 PolarHBondContact OH-NZ 3.45Å; F41-K44 PolarHBondContact O-N 2.9Å; C42-K44 VanDerWaalsContact C-N 3.33Å; C42-K44 PolarHBondContact O-N 3.19Å; K44-K47 PolarHBondContact O-NZ 3.11Å
45L94Very high95.7Very high107 Ų10773.6 Ų73.656%0.5635%0.352SS*.Hα-helixtrans-88.9-28.5-168.6-62.3174.9000114.4M24 F41M24-L45 HydrophobicContact CE-CD1 4.27Å; F41-L45 HydrophobicContact CB-CD1 4.27Å; F41-L45 VanDerWaalsContact O-CB 3.31Å; F41-L45 WeakPolarHBondContact O-CB 3.49Å; F41-L45 WeakPolarHBondContact O-CG 3.42Å; F41-L45 PolarHBondContact O-N 3.04Å
46R94.1Very high95.6Very high140 Ų14073.4 Ų73.453%0.52836%0.358SS..SBendtrans-127.71.7-174.7-63.2-65.2179.4-112.38.7113.4Y22 C42 V48Y22-R46 HydrophobicContact CD1-CG 3.95Å; Y22-R46 HydrophobicContact CE1-CB 4.38Å; Y22-R46 VanDerWaalsContact CE1-CD 3.48Å; Y22-R46 HydrophobicContact CE1-CG 3.64Å; Y22-R46 HydrophobicContact CE2-CB 4.22Å; Y22-R46 HydrophobicContact CE2-CG 4.27Å; Y22-R46 HydrophobicContact CG-CG 4.38Å; C42-R46 CarbonylContact O-C 3.58Å; C42-R46 WeakPolarHBondContact O-CA 3.35Å; C42-R46 PolarHBondContact O-N 2.92Å; R46-V48 HydrophobicContact CB-CG2 4.21Å; R46-V48 PolarHBondContact O-N 3.08Å
47K94.6Very high95.6Very high167 Ų16771.8 Ų71.873%0.72635%0.346SS*.  trans55.823-178.8-48.9-54.2-174.6-169.50113.7C42 S43 K44C42-K47 PolarHBondContact O-N 3.4Å; S43-K47 WeakPolarHBondContact O-CA 3.38Å; S43-K47 PolarHBondContact O-N 3.25Å; K44-K47 PolarHBondContact O-NZ 3.11Å
48V94.4Very high95.7Very high14 Ų1471.3 Ų71.39%0.08535%0.352CS..  trans-93.6120.1175.2-176.50000109.2K10 Y22 W39 C42 S43 R46K10-V48 HydrophobicContact CB-CG1 4.35Å; K10-V48 HydrophobicContact CB-CG2 4.46Å; Y22-V48 HydrophobicContact CE2-CG2 4.08Å; W39-V48 HydrophobicContact CZ3-CG1 4.09Å; C42-V48 CarbonylContact C-O 3.59Å; C42-V48 PolarHBondContact O-N 3.22Å; S43-V48 VanDerWaalsContact CA-O 3.26Å; S43-V48 WeakPolarHBondContact CA-O 3.37Å; S43-V48 PolarHBondContact N-O 2.9Å; R46-V48 HydrophobicContact CB-CG2 4.21Å; R46-V48 PolarHBondContact O-N 3.08Å
49K95.7Very high95.7Very high134 Ų13475.4 Ų75.458%0.58337%0.372SS*.  trans-90.9152.9175.6-63.7-178.6-178.8178.10110.3S51 H52 G53K49-S51 PolarHBondContact O-N 3.12Å; K49-H52 CarbonylContact O-C 3.6Å; K49-H52 PolarHBondContact O-N 3.17Å; K49-G53 PolarHBondContact O-N 3.27Å
50K95.7Very high95.7Very high154 Ų15478 Ų7867%0.6739%0.388SS*.G310 helixtrans-53.6-34.5175.3179.5179.5175-167.40113.2W39 H52W39-K50 HydrophobicContact CB-CB 4.44Å; W39-K50 HydrophobicContact CD2-CB 3.7Å; W39-K50 HydrophobicContact CD2-CG 4.11Å; W39-K50 HydrophobicContact CE3-CB 4.15Å; W39-K50 HydrophobicContact CG-CB 3.83Å; W39-K50 HydrophobicContact CG-CD 4.45Å; W39-K50 HydrophobicContact CG-CG 4.19Å; W39-K50 HydrophobicContact CZ2-CG 4.32Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-H52 PolarHBondContact O-N 3.48Å
51S96Very high95.7Very high88 Ų8876 Ų7662%0.61538%0.384SS*.G310 helixtrans-70.8-23.3178.951.20000114.3K49K49-S51 PolarHBondContact O-N 3.12Å
52H95Very high95.5Very high112 Ų11278.5 Ų78.552%0.51941%0.405SS..G310 helixtrans-112.817.9-177.6-60.383.7000111.7K10 L11 K49 K50K10-H52 WeakPolarHBondContact CA-O 3.38Å; K10-H52 VanDerWaalsContact CG-O 3.29Å; K10-H52 WeakPolarHBondContact CG-O 3.47Å; L11-H52 PolarHBondContact N-O 2.76Å; K49-H52 CarbonylContact O-C 3.6Å; K49-H52 PolarHBondContact O-N 3.17Å; K50-H52 VanDerWaalsContact C-N 3.31Å; K50-H52 PolarHBondContact O-N 3.48Å
53G95.8Very high95Very high11 Ų1183.5 Ų83.511%0.11344%0.437CS..EExtended strand (participates in β ladder)trans-149165-175.900000111.9R9 W39 K49R9-G53 CarbonylContact O-C 3.49Å; R9-G53 WeakPolarHBondContact O-CA 3.43Å; W39-G53 VanDerWaalsContact CH2-C 3.42Å; K49-G53 PolarHBondContact O-N 3.27Å
54E96Very high94.5Very high67 Ų6789.3 Ų89.331%0.31346%0.456SS..EExtended strand (participates in β ladder)trans-130.2151.6177.661178.3169.500110.9G8 R9 L11 V56G8-E54 CarbonylContact C-O 3.54Å; G8-E54 WeakPolarHBondContact CA-O 3.49Å; R9-E54 HydrophobicContact CG-CG 3.97Å; R9-E54 IonicContact CZ-OE1 3.37Å; R9-E54 PolarHBondContact N-O 2.93Å; R9-E54 IonicContact NE-OE1 2.83Å; R9-E54 PolarHBondContact NE-OE1 2.85Å; R9-E54 IonicContact NH2-OE1 3.5Å; R9-E54 PolarHBondContact NH2-OE1 2.9Å; R9-E54 PolarHBondContact O-N 3.1Å; L11-E54 HydrophobicContact CD2-CB 4.2Å; L11-E54 HydrophobicContact CD2-CG 4.24Å; E54-V56 HydrophobicContact CG-CG2 4.49Å
55I97.5Very high93.9Very high42 Ų4294.8 Ų94.822%0.21548%0.48CS..EExtended strand (participates in β ladder)trans-94.5113.9169-72.1164.3000106.9V6 I7 K35 F38 W39 S57 A58V6-I55 HydrophobicContact CG1-CD1 4.34Å; V6-I55 HydrophobicContact CG1-CG1 4.3Å; V6-I55 HydrophobicContact CG1-CG2 3.98Å; I7-I55 CarbonylContact O-C 3.5Å; K35-I55 HydrophobicContact CB-CD1 3.75Å; K35-I55 HydrophobicContact CD-CD1 4.05Å; K35-I55 HydrophobicContact CG-CD1 3.76Å; F38-I55 HydrophobicContact CD1-CD1 4.18Å; F38-I55 HydrophobicContact CD1-CG1 3.93Å; F38-I55 HydrophobicContact CE1-CG1 4.07Å; W39-I55 HydrophobicContact CZ2-CD1 4.08Å; W39-I55 HydrophobicContact CZ2-CG1 3.67Å; W39-I55 VanDerWaalsContact NE1-CD1 3.32Å; I55-S57 WeakPolarHBondContact CG2-O 3.45Å; I55-A58 HydrophobicContact CG2-CB 4.11Å
56V96.5Very high93.3Very high77 Ų7791.8 Ų91.847%0.46746%0.464SS..EExtended strand (participates in β ladder)trans-75.9-38.8178.91790000110.7I7 R9 L21 E54I7-V56 HydrophobicContact CG2-CB 4.49Å; I7-V56 PolarHBondContact O-N 3.38Å; R9-V56 HydrophobicContact CG-CG2 3.92Å; L21-V56 HydrophobicContact CD2-CB 4.3Å; L21-V56 HydrophobicContact CD2-CG2 3.72Å; E54-V56 HydrophobicContact CG-CG2 4.49Å
57S96.7Very high93Very high45 Ų4591.3 Ų91.332%0.31548%0.477SS..EExtended strand (participates in β ladder)trans-150.2143.5178.2-179.60000111.6V6 I7 I55V6-S57 CarbonylContact C-O 3.59Å; V6-S57 WeakPolarHBondContact CA-O 3.44Å; I7-S57 PolarHBondContact N-O 3.48Å; I7-S57 PolarHBondContact O-N 3.39Å; I55-S57 WeakPolarHBondContact CG2-O 3.45Å
58A96.9Very high92.8Very high35 Ų3588.8 Ų88.829%0.28947%0.471SS..EExtended strand (participates in β ladder)trans-139.794.3171.800000108.7V6 K35 I55V6-A58 HydrophobicContact CG1-CB 4.37Å; V6-A58 HydrophobicContact CG2-CB 4.37Å; K35-A58 HydrophobicContact CG-CB 4.16Å; I55-A58 HydrophobicContact CG2-CB 4.11Å
59M97.3Very high92.8Very high87 Ų8791.7 Ų91.743%0.42949%0.489SS..EExtended strand (participates in β ladder)trans-109.8139.6-173.966.3-174-163.400111.8Y4 I5Y4-M59 CarbonylContact C-O 3.47Å; Y4-M59 VanDerWaalsContact CA-O 3.26Å; Y4-M59 WeakPolarHBondContact CA-O 3.35Å; I5-M59 HydrophobicContact CB-CE 3.76Å; I5-M59 HydrophobicContact CB-CG 3.94Å; I5-M59 HydrophobicContact CD1-CE 3.56Å; I5-M59 HydrophobicContact CG1-CE 4.23Å; I5-M59 HydrophobicContact CG2-CE 3.87Å; I5-M59 HydrophobicContact CG2-CG 4.5Å; I5-M59 PolarHBondContact N-O 2.85Å; I5-M59 PolarHBondContact O-N 2.84Å
60L97.3Very high92.7Very high85 Ų8588.1 Ų88.145%0.44547%0.474SS..EExtended strand (participates in β ladder)trans-73.3128.5167.4176.867.9000108.5R2 E3 Y4 P62R2-L60 HydrophobicContact CB-CD1 3.76Å; R2-L60 HydrophobicContact CG-CD1 4.33Å; E3-L60 WeakPolarHBondContact O-CD1 3.33Å; Y4-L60 HydrophobicContact CD1-CB 4.14Å; Y4-L60 HydrophobicContact CD1-CD1 4.26Å; Y4-L60 HydrophobicContact CE1-CB 3.87Å; Y4-L60 HydrophobicContact CE1-CD1 3.79Å; Y4-L60 HydrophobicContact CE1-CG 4.43Å; Y4-L60 HydrophobicContact CE2-CD1 4.38Å; L60-P62 VanDerWaalsContact O-CD 3.3Å; L60-P62 WeakPolarHBondContact O-CD 3.47Å
61V94.6Very high92.8Very high38 Ų3881.4 Ų81.423%0.2345%0.445CS..  trans-78.4113.8170.8-178.70000107.7E3 I5E3-V61 HydrophobicContact CB-CB 4.09Å; E3-V61 HydrophobicContact CB-CG2 4.47Å; E3-V61 HydrophobicContact CG-CB 3.93Å; E3-V61 HydrophobicContact CG-CG2 3.86Å; E3-V61 PolarHBondContact O-N 3.13Å; I5-V61 HydrophobicContact CB-CG2 4.41Å; I5-V61 HydrophobicContact CD1-CG2 3.59Å; I5-V61 HydrophobicContact CG1-CG2 3.6Å
62P91.1Very high92.9Very high94 Ų9478 Ų7861%0.6142%0.419SS*.PPolyproline II helixtrans-66.5145.8-18027.9-34000110.2L60 K64L60-P62 VanDerWaalsContact O-CD 3.3Å; L60-P62 WeakPolarHBondContact O-CD 3.47Å; P62-K64 PolarHBondContact O-N 2.63Å
63P85.4Confident93Very high105 Ų10572.6 Ų72.668%0.68239%0.394SS*.PPolyproline II helixtrans-63.2123174.327.3-32.8000109.1
64K84.9Confident93.1Very high169 Ų16972.1 Ų72.174%0.73539%0.388SS*.PPolyproline II helixtrans-65.2142.9170.2-61.7-176.1179.3-173.80108.6P62 I66P62-K64 PolarHBondContact O-N 2.63Å; K64-I66 HydrophobicContact CB-CD1 3.97Å; K64-I66 HydrophobicContact CB-CG1 3.85Å; K64-I66 WeakPolarHBondContact O-CG1 3.42Å; K64-I66 PolarHBondContact O-N 3.48Å
65K82.8Confident93.2Very high220 Ų22072.8 Ų72.896%0.95739%0.388SS*.  trans-66.7103.6168.2-68-175.4-178.6-179.90107.7
66I81.4Confident93.2Very high44 Ų4470.8 Ų70.823%0.22638%0.378CS..  trans-117.9128.3-175.2-63.8166.2000108.3K64 N68 L94 N95K64-I66 HydrophobicContact CB-CD1 3.97Å; K64-I66 HydrophobicContact CB-CG1 3.85Å; K64-I66 WeakPolarHBondContact O-CG1 3.42Å; K64-I66 PolarHBondContact O-N 3.48Å; I66-N68 WeakPolarHBondContact CG2-O 3.46Å; I66-L94 WeakPolarHBondContact CD1-O 3.41Å; I66-L94 WeakPolarHBondContact CG2-O 3.36Å; I66-N95 HydrophobicContact CD1-CB 4.06Å
67T86.8Confident93.2Very high129 Ų12970.2 Ų70.279%0.79137%0.367SS*.  trans-95.9-20179.849.20000113
68N91.4Very high93.2Very high114 Ų11468.6 Ų68.661%0.6136%0.355SS*.SBendtrans-114.9140.8-172.4-63.2-28.6000112I66I66-N68 WeakPolarHBondContact CG2-O 3.46Å
69V93.8Very high93.2Very high76 Ų7669.3 Ų69.346%0.46135%0.354SS..  trans-75.9129173.9179.90000109.9R92 L94V69-R92 HydrophobicContact CG1-CB 3.84Å; V69-L94 HydrophobicContact CG2-CD2 4.08Å
70K94.2Very high93Very high59 Ų5966.8 Ų66.826%0.25735%0.345SS..EExtended strand (participates in β ladder)trans-107.5159-178.6-64.6169.6166.9-135.30110.8Y72 R92 D93 E125K70-Y72 HydrophobicContact CB-CD2 4.42Å; K70-Y72 HydrophobicContact CB-CE2 3.76Å; K70-Y72 HydrophobicContact CD-CE2 4.49Å; K70-Y72 WeakPolarHBondContact CD-OH 3.38Å; K70-R92 VanDerWaalsContact O-CA 3.31Å; K70-R92 WeakPolarHBondContact O-CA 3.22Å; K70-D93 PolarHBondContact N-O 3.04Å; K70-D93 PolarHBondContact O-N 3.28Å; K70-D93 VanDerWaalsContact O-N 3.08Å; K70-E125 HydrophobicContact CB-CG 4.38Å; K70-E125 HydrophobicContact CD-CG 4.5Å; K70-E125 VanDerWaalsContact CD-OE1 3.3Å; K70-E125 WeakPolarHBondContact CD-OE1 3.32Å; K70-E125 VanDerWaalsContact CE-OE1 3.29Å; K70-E125 WeakPolarHBondContact CE-OE1 3.47Å; K70-E125 WeakPolarHBondContact CG-OE1 3.09Å; K70-E125 VanDerWaalsContact NZ-CD 3.26Å; K70-E125 IonicContact NZ-OE1 2.7Å; K70-E125 PolarHBondContact NZ-OE1 2.96Å; K70-E125 IonicContact NZ-OE2 3.25Å; K70-E125 PolarHBondContact NZ-OE2 3.33Å
71N97.2Very high92.7Very high12 Ų1273 Ų736%0.06436%0.362CS..EExtended strand (participates in β ladder)trans-98.9135.6169-42.6-62.5000109.3Y91 R92 E125 I126 C131 V136 H140N71-Y91 CarbonylContact C-O 3.56Å; N71-Y91 WeakPolarHBondContact CA-O 3.48Å; N71-R92 WeakPolarHBondContact OD1-CG 3.29Å; N71-R92 PolarHBondContact OD1-NH1 2.99Å; N71-E125 CarbonylContact O-C 3.41Å; N71-E125 WeakPolarHBondContact O-CA 3.45Å; N71-I126 WeakPolarHBondContact CB-O 3.29Å; N71-I126 PolarHBondContact ND2-O 3.12Å; N71-I126 PolarHBondContact O-N 3.35Å; N71-C131 VanDerWaalsContact CB-SG 3.54Å; N71-C131 VanDerWaalsContact CG-SG 3.51Å; N71-C131 PolarHBondContact ND2-SG 2.86Å; N71-V136 HydrophobicContact CB-CG1 4.46Å; N71-H140 PolarHBondContact OD1-CE1 3.1Å
72Y97.6Very high92.6Very high16 Ų1676.2 Ų76.26%0.06339%0.386CS..EExtended strand (participates in β ladder)trans-121.1125.9176.5-70.3-77.7000110K70 E90 Y91 N95 A96 A99 I123 E124 E125K70-Y72 HydrophobicContact CB-CD2 4.42Å; K70-Y72 HydrophobicContact CB-CE2 3.76Å; K70-Y72 HydrophobicContact CD-CE2 4.49Å; K70-Y72 WeakPolarHBondContact CD-OH 3.38Å; Y72-E90 VanDerWaalsContact O-CA 3.3Å; Y72-E90 WeakPolarHBondContact O-CA 3.38Å; Y72-Y91 PolarHBondContact N-O 3.46Å; Y72-Y91 PolarHBondContact O-N 2.88Å; Y72-N95 WeakPolarHBondContact OH-CA 3.45Å; Y72-A96 HydrophobicContact CD1-CB 4.23Å; Y72-A96 HydrophobicContact CE1-CB 3.86Å; Y72-A96 PolarHBondContact OH-N 3.36Å; Y72-A99 HydrophobicContact CD2-CB 3.56Å; Y72-A99 HydrophobicContact CE2-CB 4.42Å; Y72-A99 HydrophobicContact CG-CB 3.8Å; Y72-I123 HydrophobicContact CD1-CG2 4.21Å; Y72-E124 CarbonylContact C-O 3.56Å; Y72-E124 VanDerWaalsContact CA-O 3.29Å; Y72-E124 WeakPolarHBondContact CA-O 3.46Å; Y72-E125 HydrophobicContact CD1-CB 4.32Å; Y72-E125 HydrophobicContact CE1-CB 4Å
73G98.1Very high92.8Very high0 Ų073.2 Ų73.20%037%0.372CS..EExtended strand (participates in β ladder)trans-89.9131.9164.900000110.1W75 I123 E124G73-W75 VanDerWaalsContact O-CZ3 3.31Å; G73-W75 WeakPolarHBondContact O-CZ3 3.49Å; G73-I123 WeakPolarHBondContact O-CA 3.48Å; G73-E124 PolarHBondContact N-O 2.71Å; G73-E124 PolarHBondContact O-N 3.14Å
74I98.1Very high93.3Very high0 Ų072.4 Ų72.40%037%0.365CS..EExtended strand (participates in β ladder)trans-123.9114.3-179-55.7-172.5000107.8L76 Y88 R89 Y91 A99 V100 C103 L120 I123I74-L76 HydrophobicContact CG2-CD2 4.34Å; I74-Y88 WeakPolarHBondContact O-CA 3.35Å; I74-R89 PolarHBondContact N-O 3.14Å; I74-R89 PolarHBondContact O-N 3.14Å; I74-Y91 HydrophobicContact CD1-CD2 3.71Å; I74-Y91 HydrophobicContact CD1-CE2 4.2Å; I74-Y91 HydrophobicContact CG1-CD2 4.24Å; I74-A99 HydrophobicContact CD1-CB 4.35Å; I74-V100 HydrophobicContact CD1-CG2 4.01Å; I74-C103 HydrophobicContact CD1-CB 3.81Å; I74-L120 HydrophobicContact CG2-CD2 3.65Å; I74-I123 HydrophobicContact CG1-CG1 4.17Å; I74-I123 HydrophobicContact CG1-CG2 4.39Å; I74-I123 HydrophobicContact CG2-CG1 4.17Å
75W98.1Very high93.8Very high81 Ų8167.8 Ų67.831%0.30735%0.346SS..EExtended strand (participates in β ladder)trans-95.6122170-64.8-103000107.6G73 M87 Y88 I121 K122 E124 I126G73-W75 VanDerWaalsContact O-CZ3 3.31Å; G73-W75 WeakPolarHBondContact O-CZ3 3.49Å; W75-M87 WeakPolarHBondContact CA-O 3.18Å; W75-Y88 AromaticContact CD1-CD2 3.81Å; W75-Y88 AromaticContact CD2-CD2 3.63Å; W75-Y88 HydrophobicContact CD2-CD2 3.63Å; W75-Y88 AromaticContact CD2-CE2 3.91Å; W75-Y88 HydrophobicContact CD2-CE2 3.91Å; W75-Y88 AromaticContact CE2-CD2 3.36Å; W75-Y88 AromaticContact CE2-CE2 3.49Å; W75-Y88 VanDerWaalsContact CE2-CE2 3.49Å; W75-Y88 HydrophobicContact CE3-CD2 4.24Å; W75-Y88 HydrophobicContact CE3-CE2 4.16Å; W75-Y88 AromaticContact CG-CD2 3.93Å; W75-Y88 HydrophobicContact CG-CD2 3.93Å; W75-Y88 HydrophobicContact CH2-CD2 4.42Å; W75-Y88 AromaticContact CH2-CE2 3.72Å; W75-Y88 HydrophobicContact CH2-CE2 3.72Å; W75-Y88 AromaticContact CZ2-CD2 3.81Å; W75-Y88 HydrophobicContact CZ2-CD2 3.81Å; W75-Y88 AromaticContact CZ2-CE2 3.4Å; W75-Y88 HydrophobicContact CZ2-CE2 3.4Å; W75-Y88 HydrophobicContact CZ3-CE2 4.07Å; W75-Y88 AromaticContact NE1-CD2 3.46Å; W75-I121 HydrophobicContact CB-CB 4.39Å; W75-I121 WeakPolarHBondContact O-CB 3.46Å; W75-I121 PolarHBondContact O-N 2.8Å; W75-K122 HydrophobicContact CB-CB 4.21Å; W75-K122 HydrophobicContact CD2-CB 4.31Å; W75-K122 HydrophobicContact CE3-CB 3.85Å; W75-K122 HydrophobicContact CE3-CD 4.1Å; W75-K122 HydrophobicContact CE3-CG 4.07Å; W75-K122 HydrophobicContact CG-CB 4.5Å; W75-K122 HydrophobicContact CZ3-CD 4.15Å; W75-K122 HydrophobicContact CZ3-CG 4.33Å; W75-K122 PolarHBondContact N-O 3.08Å; W75-K122 PolarHBondContact O-N 2.69Å; W75-E124 HydrophobicContact CH2-CB 4.21Å; W75-E124 HydrophobicContact CZ3-CB 3.77Å; W75-I126 HydrophobicContact CH2-CD1 3.95Å
76L97.5Very high94.5Very high1 Ų163.4 Ų63.41%0.00533%0.333CS..EExtended strand (participates in β ladder)trans-135.1152.8-177.568.390.1000110.6I74 Y78 N86 M87 C103 M107 Q119 L120I74-L76 HydrophobicContact CG2-CD2 4.34Å; L76-Y78 HydrophobicContact CD1-CD1 3.75Å; L76-Y78 HydrophobicContact CD1-CG 4.28Å; L76-N86 CarbonylContact O-C 3.51Å; L76-N86 WeakPolarHBondContact O-CA 3.48Å; L76-M87 HydrophobicContact CD1-CB 3.82Å; L76-M87 HydrophobicContact CG-CB 3.99Å; L76-M87 PolarHBondContact N-O 3.02Å; L76-M87 PolarHBondContact O-N 3.35Å; L76-C103 WeakPolarHBondContact CD2-SG 3.4Å; L76-M107 HydrophobicContact CD1-CE 4.04Å; L76-M107 HydrophobicContact CD1-SD 4.34Å; L76-M107 HydrophobicContact CD2-CG 4.2Å; L76-M107 HydrophobicContact CD2-SD 4.28Å; L76-Q119 CarbonylContact C-O 3.55Å; L76-Q119 WeakPolarHBondContact CA-O 3.25Å; L76-Q119 WeakPolarHBondContact CB-O 3.26Å; L76-L120 HydrophobicContact CB-CD2 4.13Å
77R96.9Very high95.2Very high64 Ų6463.5 Ų63.524%0.24233%0.333CS..EExtended strand (participates in β ladder)trans-110.7138.9164.1176-175.7172.4-70.7-9.6107.3D79 H85 Q119 I121R77-D79 IonicContact CZ-OD1 3.43Å; R77-D79 VanDerWaalsContact CZ-OD1 3.29Å; R77-D79 IonicContact NH1-OD1 3.18Å; R77-D79 PolarHBondContact NH1-OD1 3.1Å; R77-D79 IonicContact NH1-OD2 3.69Å; R77-D79 IonicContact NH2-OD1 2.89Å; R77-D79 PolarHBondContact NH2-OD1 3.31Å; R77-H85 CarbonylContact C-O 3.5Å; R77-H85 WeakPolarHBondContact CA-O 3.16Å; R77-Q119 HydrophobicContact CB-CB 4.41Å; R77-Q119 PolarHBondContact N-O 2.79Å; R77-Q119 VanDerWaalsContact NH1-NE2 3.14Å; R77-Q119 PolarHBondContact O-N 3.13Å; R77-I121 HydrophobicContact CB-CD1 4.06Å
78Y96.9Very high95.7Very high12 Ų1259 Ų595%0.04730%0.302CS..EExtended strand (participates in β ladder)trans-143.9153.3171.579.5-69.9000110.2L76 H85 M87 M107 H111 A113L76-Y78 HydrophobicContact CD1-CD1 3.75Å; L76-Y78 HydrophobicContact CD1-CG 4.28Å; Y78-H85 HydrophobicContact CD1-CB 4.25Å; Y78-H85 HydrophobicContact CE1-CB 3.63Å; Y78-H85 PolarHBondContact N-O 2.83Å; Y78-H85 PolarHBondContact O-N 3.34Å; Y78-M87 HydrophobicContact CD1-CE 4.5Å; Y78-M87 HydrophobicContact CD1-CG 4.19Å; Y78-M87 HydrophobicContact CD1-SD 3.96Å; Y78-M87 HydrophobicContact CE1-CE 3.32Å; Y78-M87 HydrophobicContact CE1-CG 3.7Å; Y78-M87 HydrophobicContact CE1-SD 3.28Å; Y78-M87 WeakPolarHBondContact CE1-SD 3.38Å; Y78-M87 WeakPolarHBondContact OH-CE 3.25Å; Y78-M107 HydrophobicContact CD1-CE 3.44Å; Y78-M107 VanDerWaalsContact CD1-CE 3.44Å; Y78-M107 HydrophobicContact CD2-CE 3.58Å; Y78-M107 HydrophobicContact CE1-CE 3.68Å; Y78-M107 HydrophobicContact CE2-CE 3.79Å; Y78-M107 HydrophobicContact CG-CE 3.39Å; Y78-H111 HydrophobicContact CE2-CB 4.11Å; Y78-A113 HydrophobicContact CD2-CB 3.65Å; Y78-A113 HydrophobicContact CE2-CB 4.17Å; Y78-A113 HydrophobicContact CG-CB 4.46Å
79D95.6Very high96Very high50 Ų5055.5 Ų55.527%0.26728%0.28SS..EExtended strand (participates in β ladder)trans-95.5121175.1-52.1-39.3000108.1R77 T84 T117R77-D79 IonicContact CZ-OD1 3.43Å; R77-D79 VanDerWaalsContact CZ-OD1 3.29Å; R77-D79 IonicContact NH1-OD1 3.18Å; R77-D79 PolarHBondContact NH1-OD1 3.1Å; R77-D79 IonicContact NH1-OD2 3.69Å; R77-D79 IonicContact NH2-OD1 2.89Å; R77-D79 PolarHBondContact NH2-OD1 3.31Å; D79-T84 WeakPolarHBondContact OD1-CB 3.45Å; D79-T84 WeakPolarHBondContact OD1-CG2 3.43Å; D79-T117 HydrophobicContact CB-CG2 4.47Å; D79-T117 PolarHBondContact O-OG1 3.38Å
80S93.5Very high96.2Very high34 Ų3452 Ų5224%0.23826%0.259CS..  trans-90.4-177.3170.882.40000109.8S82 G83 H85S80-S82 PolarHBondContact O-N 2.89Å; S80-S82 PolarHBondContact OG-N 3.32Å; S80-S82 VanDerWaalsContact OG-N 3.11Å; S80-S82 PolarHBondContact OG-OG 3.4Å; S80-S82 VanDerWaalsContact OG-OG 3.05Å; S80-G83 PolarHBondContact N-O 2.65Å; S80-G83 PolarHBondContact OG-N 3.17Å; S80-G83 PolarHBondContact OG-O 3.37Å; S80-G83 VanDerWaalsContact OG-O 3.12Å; S80-H85 PolarHBondContact OG-CD2 2.87Å; S80-H85 VanDerWaalsContact OG-CD2 3.22Å; S80-H85 PolarHBondContact OG-NE2 3.14Å
81R90Very high96.4Very high216 Ų21649.6 Ų49.682%0.81525%0.248SC*.SBendtrans-66.8-26173.2-63176.3-177.3173.2-8.4113
82S92.8Very high96.3Very high105 Ų10552.2 Ų52.273%0.73426%0.257SS*.SBendtrans-103.6-5.6-173.657.20000113.7S80S80-S82 PolarHBondContact O-N 2.89Å; S80-S82 PolarHBondContact OG-N 3.32Å; S80-S82 VanDerWaalsContact OG-N 3.11Å; S80-S82 PolarHBondContact OG-OG 3.4Å; S80-S82 VanDerWaalsContact OG-OG 3.05Å
83G95Very high96.3Very high30 Ų3053.1 Ų53.131%0.30926%0.263SS..  trans150.2-166.2179.900000113.8S80 H85S80-G83 PolarHBondContact N-O 2.65Å; S80-G83 PolarHBondContact OG-N 3.17Å; S80-G83 PolarHBondContact OG-O 3.37Å; S80-G83 VanDerWaalsContact OG-O 3.12Å; G83-H85 PolarHBondContact O-CD2 3.21Å
84T96.8Very high96.1Very high89 Ų8956.8 Ų56.855%0.54628%0.282SS..EExtended strand (participates in β ladder)trans-104.4125.2-172.776.70000109.8D79D79-T84 WeakPolarHBondContact OD1-CB 3.45Å; D79-T84 WeakPolarHBondContact OD1-CG2 3.43Å
85H96.3Very high95.9Very high71 Ų7158.9 Ų58.933%0.32929%0.293SS..EExtended strand (participates in β ladder)trans-124.7139.9-173.9-56-83.3000111.4R77 Y78 S80 G83R77-H85 CarbonylContact C-O 3.5Å; R77-H85 WeakPolarHBondContact CA-O 3.16Å; Y78-H85 HydrophobicContact CD1-CB 4.25Å; Y78-H85 HydrophobicContact CE1-CB 3.63Å; Y78-H85 PolarHBondContact N-O 2.83Å; Y78-H85 PolarHBondContact O-N 3.34Å; S80-H85 PolarHBondContact OG-CD2 2.87Å; S80-H85 VanDerWaalsContact OG-CD2 3.22Å; S80-H85 PolarHBondContact OG-NE2 3.14Å; G83-H85 PolarHBondContact O-CD2 3.21Å
86N97.2Very high95.7Very high128 Ų12855.2 Ų55.268%0.68428%0.28SS*.EExtended strand (participates in β ladder)trans-90.9137.4167.6-64.2-45.9000109.2L76L76-N86 CarbonylContact O-C 3.51Å; L76-N86 WeakPolarHBondContact O-CA 3.48Å
87M96.2Very high95.6Very high47 Ų4756 Ų5623%0.23229%0.287CS..EExtended strand (participates in β ladder)trans-135.4147.3178.9-75.6-170169.200111.3W75 L76 Y78 M107 H111W75-M87 WeakPolarHBondContact CA-O 3.18Å; L76-M87 HydrophobicContact CD1-CB 3.82Å; L76-M87 HydrophobicContact CG-CB 3.99Å; L76-M87 PolarHBondContact N-O 3.02Å; L76-M87 PolarHBondContact O-N 3.35Å; Y78-M87 HydrophobicContact CD1-CE 4.5Å; Y78-M87 HydrophobicContact CD1-CG 4.19Å; Y78-M87 HydrophobicContact CD1-SD 3.96Å; Y78-M87 HydrophobicContact CE1-CE 3.32Å; Y78-M87 HydrophobicContact CE1-CG 3.7Å; Y78-M87 HydrophobicContact CE1-SD 3.28Å; Y78-M87 WeakPolarHBondContact CE1-SD 3.38Å; Y78-M87 WeakPolarHBondContact OH-CE 3.25Å; M87-M107 HydrophobicContact SD-CE 3.85Å; M87-M107 HydrophobicContact SD-SD 3.89Å; M87-H111 WeakPolarHBondContact CE-CE1 3.49Å
88Y97.4Very high95.6Very high33 Ų3353.7 Ų53.713%0.12928%0.283CS..EExtended strand (participates in β ladder)trans-119.7124.6168.6171.8-105.6000109.7I74 W75 E90 I126 R133I74-Y88 WeakPolarHBondContact O-CA 3.35Å; W75-Y88 AromaticContact CD1-CD2 3.81Å; W75-Y88 AromaticContact CD2-CD2 3.63Å; W75-Y88 HydrophobicContact CD2-CD2 3.63Å; W75-Y88 AromaticContact CD2-CE2 3.91Å; W75-Y88 HydrophobicContact CD2-CE2 3.91Å; W75-Y88 AromaticContact CE2-CD2 3.36Å; W75-Y88 AromaticContact CE2-CE2 3.49Å; W75-Y88 VanDerWaalsContact CE2-CE2 3.49Å; W75-Y88 HydrophobicContact CE3-CD2 4.24Å; W75-Y88 HydrophobicContact CE3-CE2 4.16Å; W75-Y88 AromaticContact CG-CD2 3.93Å; W75-Y88 HydrophobicContact CG-CD2 3.93Å; W75-Y88 HydrophobicContact CH2-CD2 4.42Å; W75-Y88 AromaticContact CH2-CE2 3.72Å; W75-Y88 HydrophobicContact CH2-CE2 3.72Å; W75-Y88 AromaticContact CZ2-CD2 3.81Å; W75-Y88 HydrophobicContact CZ2-CD2 3.81Å; W75-Y88 AromaticContact CZ2-CE2 3.4Å; W75-Y88 HydrophobicContact CZ2-CE2 3.4Å; W75-Y88 HydrophobicContact CZ3-CE2 4.07Å; W75-Y88 AromaticContact NE1-CD2 3.46Å; Y88-E90 HydrophobicContact CE1-CG 3.61Å; Y88-E90 WeakPolarHBondContact CE1-OE1 3.42Å; Y88-E90 HydrophobicContact CE2-CG 4.49Å; Y88-E90 VanDerWaalsContact CZ-OE1 3.32Å; Y88-E90 VanDerWaalsContact OH-CG 3.23Å; Y88-E90 WeakPolarHBondContact OH-CG 3.49Å; Y88-E90 PolarHBondContact OH-OE1 2.86Å; Y88-I126 HydrophobicContact CE2-CD1 4.28Å; Y88-I126 WeakPolarHBondContact OH-CD1 3.3Å; Y88-R133 PolarHBondContact O-NH2 3.18Å
89R97.3Very high95.6Very high42 Ų4253.1 Ų53.116%0.15828%0.281CS..EExtended strand (participates in β ladder)trans-129.3149.5-178.7-69.2-179.2156.5-78.6-7.8110.8I74 Y91 D106 M107 H111I74-R89 PolarHBondContact N-O 3.14Å; I74-R89 PolarHBondContact O-N 3.14Å; R89-Y91 HydrophobicContact CB-CD2 4.4Å; R89-Y91 HydrophobicContact CB-CE2 3.55Å; R89-Y91 WeakPolarHBondContact CD-OH 3.31Å; R89-Y91 PolarHBondContact NH1-OH 3.17Å; R89-D106 IonicContact NH1-OD2 2.74Å; R89-M107 PolarHBondContact NE-SD 2.92Å; R89-M107 VanDerWaalsContact NE-SD 3.36Å; R89-H111 PolarHBondContact NH2-CD2 2.8Å; R89-H111 VanDerWaalsContact NH2-CD2 3.35Å; R89-H111 PolarHBondContact NH2-NE2 3.06Å
90E98.1Very high95.6Very high3 Ų350.7 Ų50.71%0.01427%0.268CS..EExtended strand (participates in β ladder)trans-121.9133.7179.6-65.1179.4175.600110.2Y72 Y88 R132 R133 H135 V136Y72-E90 VanDerWaalsContact O-CA 3.3Å; Y72-E90 WeakPolarHBondContact O-CA 3.38Å; Y88-E90 HydrophobicContact CE1-CG 3.61Å; Y88-E90 WeakPolarHBondContact CE1-OE1 3.42Å; Y88-E90 HydrophobicContact CE2-CG 4.49Å; Y88-E90 VanDerWaalsContact CZ-OE1 3.32Å; Y88-E90 VanDerWaalsContact OH-CG 3.23Å; Y88-E90 WeakPolarHBondContact OH-CG 3.49Å; Y88-E90 PolarHBondContact OH-OE1 2.86Å; E90-R132 VanDerWaalsContact CD-N 3.3Å; E90-R132 PolarHBondContact OE1-N 3.32Å; E90-R132 PolarHBondContact OE2-N 3.43Å; E90-R133 HydrophobicContact CB-CB 4.38Å; E90-R133 HydrophobicContact CB-CG 3.97Å; E90-R133 HydrophobicContact CG-CG 3.9Å; E90-R133 WeakPolarHBondContact OE2-CB 3.38Å; E90-R133 WeakPolarHBondContact OE2-CG 3.16Å; E90-R133 PolarHBondContact OE2-N 3.29Å; E90-H135 PolarHBondContact O-NE2 2.84Å; E90-V136 HydrophobicContact CB-CG2 3.74Å
91Y97.8Very high95.8Very high8 Ų850.5 Ų50.53%0.03127%0.266CS..EExtended strand (participates in β ladder)trans-131.5148.5-178-67.5-76.3000111N71 Y72 I74 R89 Q102 C103 D106N71-Y91 CarbonylContact C-O 3.56Å; N71-Y91 WeakPolarHBondContact CA-O 3.48Å; Y72-Y91 PolarHBondContact N-O 3.46Å; Y72-Y91 PolarHBondContact O-N 2.88Å; I74-Y91 HydrophobicContact CD1-CD2 3.71Å; I74-Y91 HydrophobicContact CD1-CE2 4.2Å; I74-Y91 HydrophobicContact CG1-CD2 4.24Å; R89-Y91 HydrophobicContact CB-CD2 4.4Å; R89-Y91 HydrophobicContact CB-CE2 3.55Å; R89-Y91 WeakPolarHBondContact CD-OH 3.31Å; R89-Y91 PolarHBondContact NH1-OH 3.17Å; Y91-Q102 HydrophobicContact CD1-CB 3.63Å; Y91-Q102 HydrophobicContact CE1-CB 3.93Å; Y91-Q102 HydrophobicContact CG-CB 4.29Å; Y91-C103 HydrophobicContact CD2-CB 4.04Å; Y91-C103 HydrophobicContact CE2-CB 3.41Å; Y91-C103 VanDerWaalsContact CE2-CB 3.41Å; Y91-C103 VanDerWaalsContact CZ-CA 3.48Å; Y91-D106 HydrophobicContact CE1-CB 4.47Å; Y91-D106 WeakPolarHBondContact CE1-OD2 3.26Å; Y91-D106 VanDerWaalsContact OH-CB 3.24Å; Y91-D106 WeakPolarHBondContact OH-CB 3.25Å; Y91-D106 PolarHBondContact OH-OD2 3.2Å
92R96.3Very high96.2Very high66 Ų6643.2 Ų43.225%0.24924%0.241CC..EExtended strand (participates in β ladder)trans-107.1119.4170.3-71.4-175.663.596.6-9.9109.2V69 K70 N71 Q102 V136 H140V69-R92 HydrophobicContact CG1-CB 3.84Å; K70-R92 VanDerWaalsContact O-CA 3.31Å; K70-R92 WeakPolarHBondContact O-CA 3.22Å; N71-R92 WeakPolarHBondContact OD1-CG 3.29Å; N71-R92 PolarHBondContact OD1-NH1 2.99Å; R92-Q102 PolarHBondContact O-NE2 2.88Å; R92-Q102 VanDerWaalsContact O-NE2 3.1Å; R92-V136 HydrophobicContact CG-CG1 3.93Å; R92-H140 PolarHBondContact NH1-CE1 2.79Å; R92-H140 PolarHBondContact NH1-ND1 2.89Å
93D96Very high96.4Very high35 Ų3538.2 Ų38.219%0.18721%0.206CC..EExtended strand (participates in β ladder)trans-155.7167.7178.3-147.2-42.8000110.5K70 N95 G98 A99 Q102K70-D93 PolarHBondContact N-O 3.04Å; K70-D93 PolarHBondContact O-N 3.28Å; K70-D93 VanDerWaalsContact O-N 3.08Å; D93-N95 VanDerWaalsContact C-N 3.34Å; D93-G98 WeakPolarHBondContact OD2-CA 3.42Å; D93-A99 HydrophobicContact CB-CB 4.07Å; D93-A99 PolarHBondContact OD2-N 2.88Å; D93-Q102 PolarHBondContact OD2-NE2 3.36Å
94L94.3Very high96.5Very high77 Ų7738.5 Ų38.540%0.40320%0.198SC..SBendtrans-69.6-34.3176-61.6176000111.1I66 V69I66-L94 WeakPolarHBondContact CD1-O 3.41Å; I66-L94 WeakPolarHBondContact CG2-O 3.36Å; V69-L94 HydrophobicContact CG2-CD2 4.08Å
95N93.9Very high96.5Very high44 Ų4442.8 Ų42.824%0.23520%0.204CC..SBendtrans-145.3167.8-179.764.254000112.5I66 Y72 D93 A97 G98 A99I66-N95 HydrophobicContact CD1-CB 4.06Å; Y72-N95 WeakPolarHBondContact OH-CA 3.45Å; D93-N95 VanDerWaalsContact C-N 3.34Å; N95-A97 VanDerWaalsContact C-N 3.32Å; N95-A97 PolarHBondContact O-N 2.83Å; N95-A97 WeakPolarHBondContact OD1-CB 3.31Å; N95-A97 PolarHBondContact OD1-N 2.91Å; N95-A97 VanDerWaalsContact OD1-N 3.1Å; N95-G98 PolarHBondContact O-N 2.97Å; N95-G98 PolarHBondContact OD1-N 3.26Å; N95-A99 PolarHBondContact O-N 3.32Å; N95-A99 VanDerWaalsContact O-N 3.08Å
96A94.8Very high96.5Very high4 Ų441.1 Ų41.13%0.03320%0.198CC..Hα-helixtrans-65-32.7-17900000113.6F27 Y72 G98 A99 V100 I123F27-A96 HydrophobicContact CE1-CB 4.39Å; F27-A96 HydrophobicContact CZ-CB 4.18Å; Y72-A96 HydrophobicContact CD1-CB 4.23Å; Y72-A96 HydrophobicContact CE1-CB 3.86Å; Y72-A96 PolarHBondContact OH-N 3.36Å; A96-G98 VanDerWaalsContact C-N 3.34Å; A96-A99 PolarHBondContact O-N 2.94Å; A96-V100 WeakPolarHBondContact O-CB 3.46Å; A96-V100 VanDerWaalsContact O-CG2 3.25Å; A96-V100 WeakPolarHBondContact O-CG2 3.19Å; A96-V100 PolarHBondContact O-N 3.44Å; A96-I123 HydrophobicContact CB-CG2 4.21Å
97A95.6Very high96.5Very high17 Ų1735 Ų3514%0.1417%0.165CC..Hα-helixtrans-65.8-38.4177.600000112E3 F27 N95 T101E3-A97 HydrophobicContact CB-CB 4.32Å; F27-A97 HydrophobicContact CD1-CB 4.41Å; F27-A97 HydrophobicContact CE1-CB 4.16Å; N95-A97 VanDerWaalsContact C-N 3.32Å; N95-A97 PolarHBondContact O-N 2.83Å; N95-A97 WeakPolarHBondContact OD1-CB 3.31Å; N95-A97 PolarHBondContact OD1-N 2.91Å; N95-A97 VanDerWaalsContact OD1-N 3.1Å; A97-T101 WeakPolarHBondContact O-CB 3.33Å; A97-T101 PolarHBondContact O-N 2.76Å; A97-T101 PolarHBondContact O-OG1 3.46Å
98G95.4Very high96.5Very high16 Ų1634.5 Ų34.517%0.16517%0.171CC..Hα-helixtrans-63.2-51.7171.400000111.2D93 N95 A96 V100 T101 Q102D93-G98 WeakPolarHBondContact OD2-CA 3.42Å; N95-G98 PolarHBondContact O-N 2.97Å; N95-G98 PolarHBondContact OD1-N 3.26Å; A96-G98 VanDerWaalsContact C-N 3.34Å; G98-V100 VanDerWaalsContact C-N 3.32Å; G98-V100 PolarHBondContact O-N 3.04Å; G98-T101 CarbonylContact O-C 3.28Å; G98-T101 WeakPolarHBondContact O-CA 3.22Å; G98-T101 VanDerWaalsContact O-CB 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.46Å; G98-T101 PolarHBondContact O-N 3.28Å; G98-Q102 PolarHBondContact O-N 3.01Å
99A96.6Very high96.5Very high0 Ų036.7 Ų36.70%020%0.196CC..Hα-helixtrans-57.5-42.8178.100000112.7Y72 I74 D93 N95 A96 T101 Q102 C103Y72-A99 HydrophobicContact CD2-CB 3.56Å; Y72-A99 HydrophobicContact CE2-CB 4.42Å; Y72-A99 HydrophobicContact CG-CB 3.8Å; I74-A99 HydrophobicContact CD1-CB 4.35Å; D93-A99 HydrophobicContact CB-CB 4.07Å; D93-A99 PolarHBondContact OD2-N 2.88Å; N95-A99 PolarHBondContact O-N 3.32Å; N95-A99 VanDerWaalsContact O-N 3.08Å; A96-A99 PolarHBondContact O-N 2.94Å; A99-T101 VanDerWaalsContact C-N 3.35Å; A99-Q102 PolarHBondContact O-N 3.5Å; A99-C103 WeakPolarHBondContact O-CB 3.2Å; A99-C103 PolarHBondContact O-N 3.5Å
100V97.2Very high96.4Very high0 Ų042.5 Ų42.50%022%0.218CC..Hα-helixtrans-64.4-40.1173.7169.70000111.3M1 F27 I74 A96 G98 Q102 C103 Y104 L120 I123M1-V100 HydrophobicContact CB-CG1 4.26Å; M1-V100 HydrophobicContact CG-CG1 4.21Å; F27-V100 HydrophobicContact CB-CG1 3.82Å; F27-V100 HydrophobicContact CD1-CB 3.98Å; F27-V100 HydrophobicContact CD1-CG1 4.04Å; F27-V100 HydrophobicContact CD1-CG2 3.94Å; F27-V100 HydrophobicContact CD2-CG1 4.5Å; F27-V100 HydrophobicContact CD2-CG2 4.11Å; F27-V100 HydrophobicContact CE1-CB 4.31Å; F27-V100 HydrophobicContact CE1-CG2 3.92Å; F27-V100 HydrophobicContact CE2-CG2 4.13Å; F27-V100 HydrophobicContact CG-CB 4.21Å; F27-V100 HydrophobicContact CG-CG1 3.85Å; F27-V100 HydrophobicContact CG-CG2 4.02Å; F27-V100 HydrophobicContact CZ-CG2 4Å; I74-V100 HydrophobicContact CD1-CG2 4.01Å; A96-V100 WeakPolarHBondContact O-CB 3.46Å; A96-V100 VanDerWaalsContact O-CG2 3.25Å; A96-V100 WeakPolarHBondContact O-CG2 3.19Å; A96-V100 PolarHBondContact O-N 3.44Å; G98-V100 VanDerWaalsContact C-N 3.32Å; G98-V100 PolarHBondContact O-N 3.04Å; V100-Q102 VanDerWaalsContact C-N 3.33Å; V100-Q102 PolarHBondContact O-N 2.86Å; V100-C103 WeakPolarHBondContact O-CA 3.13Å; V100-C103 WeakPolarHBondContact O-CB 3.3Å; V100-C103 PolarHBondContact O-N 3.14Å; V100-C103 VanDerWaalsContact O-N 3.13Å; V100-Y104 HydrophobicContact CG1-CD2 3.68Å; V100-Y104 HydrophobicContact CG1-CE2 3.67Å; V100-Y104 WeakPolarHBondContact O-CD2 3.4Å; V100-Y104 PolarHBondContact O-N 3.24Å; V100-L120 HydrophobicContact CG1-CD1 3.66Å; V100-L120 HydrophobicContact CG2-CD1 4.12Å; V100-I123 HydrophobicContact CG2-CD1 3.35Å; V100-I123 HydrophobicContact CG2-CG1 4.16Å
101T97Very high96.3Very high30 Ų3045.4 Ų45.418%0.18423%0.232CC..Hα-helixtrans-61.1-42.8176.3-57.60000111.4M1 A97 G98 A99 C103 Y104 R105M1-T101 WeakPolarHBondContact CB-OG1 3.35Å; M1-T101 PolarHBondContact N-OG1 3Å; A97-T101 WeakPolarHBondContact O-CB 3.33Å; A97-T101 PolarHBondContact O-N 2.76Å; A97-T101 PolarHBondContact O-OG1 3.46Å; G98-T101 CarbonylContact O-C 3.28Å; G98-T101 WeakPolarHBondContact O-CA 3.22Å; G98-T101 VanDerWaalsContact O-CB 3.3Å; G98-T101 WeakPolarHBondContact O-CB 3.46Å; G98-T101 PolarHBondContact O-N 3.28Å; A99-T101 VanDerWaalsContact C-N 3.35Å; T101-C103 VanDerWaalsContact C-N 3.33Å; T101-Y104 PolarHBondContact O-N 3.33Å; T101-R105 WeakPolarHBondContact O-CG 3.43Å; T101-R105 PolarHBondContact O-N 3.03Å; T101-R105 VanDerWaalsContact O-N 3.14Å
102Q97.6Very high96.1Very high63 Ų6353.7 Ų53.729%0.29426%0.263SS..Hα-helixtrans-61.3-42.8172.4-64-174.833.900111.4Y91 R92 D93 G98 A99 V100 Y104 R105 D106Y91-Q102 HydrophobicContact CD1-CB 3.63Å; Y91-Q102 HydrophobicContact CE1-CB 3.93Å; Y91-Q102 HydrophobicContact CG-CB 4.29Å; R92-Q102 PolarHBondContact O-NE2 2.88Å; R92-Q102 VanDerWaalsContact O-NE2 3.1Å; D93-Q102 PolarHBondContact OD2-NE2 3.36Å; G98-Q102 PolarHBondContact O-N 3.01Å; A99-Q102 PolarHBondContact O-N 3.5Å; V100-Q102 VanDerWaalsContact C-N 3.33Å; V100-Q102 PolarHBondContact O-N 2.86Å; Q102-Y104 PolarHBondContact O-N 2.84Å; Q102-R105 WeakPolarHBondContact O-CB 3.48Å; Q102-R105 PolarHBondContact O-N 3.42Å; Q102-D106 WeakPolarHBondContact O-CB 3.4Å; Q102-D106 PolarHBondContact O-N 3.36Å
103C97.7Very high96.1Very high0 Ų051 Ų510%026%0.255CS..Hα-helixtrans-57.8-46.4176.5-175.50000113.1I74 L76 Y91 A99 V100 T101 R105 D106 M107I74-C103 HydrophobicContact CD1-CB 3.81Å; L76-C103 WeakPolarHBondContact CD2-SG 3.4Å; Y91-C103 HydrophobicContact CD2-CB 4.04Å; Y91-C103 HydrophobicContact CE2-CB 3.41Å; Y91-C103 VanDerWaalsContact CE2-CB 3.41Å; Y91-C103 VanDerWaalsContact CZ-CA 3.48Å; A99-C103 WeakPolarHBondContact O-CB 3.2Å; A99-C103 PolarHBondContact O-N 3.5Å; V100-C103 WeakPolarHBondContact O-CA 3.13Å; V100-C103 WeakPolarHBondContact O-CB 3.3Å; V100-C103 PolarHBondContact O-N 3.14Å; V100-C103 VanDerWaalsContact O-N 3.13Å; T101-C103 VanDerWaalsContact C-N 3.33Å; C103-R105 VanDerWaalsContact C-N 3.35Å; C103-R105 PolarHBondContact O-N 3.46Å; C103-D106 PolarHBondContact O-N 3.23Å; C103-M107 WeakPolarHBondContact O-CB 3.24Å; C103-M107 VanDerWaalsContact O-CG 3.25Å; C103-M107 WeakPolarHBondContact O-CG 2.95Å; C103-M107 PolarHBondContact O-N 3.18Å
104Y97.3Very high96Very high35 Ų3558.2 Ų58.214%0.13728%0.279CS..Hα-helixtrans-62.6-40.7176.2-88.7-87.6000112.3M1 V100 T101 Q102 G108 A115 I118 L120M1-Y104 HydrophobicContact CE-CD2 3.97Å; M1-Y104 HydrophobicContact CE-CE1 4.28Å; M1-Y104 HydrophobicContact CE-CE2 3.49Å; M1-Y104 VanDerWaalsContact CE-CE2 3.49Å; M1-Y104 HydrophobicContact CG-CD2 4.08Å; M1-Y104 HydrophobicContact CG-CE2 4.44Å; V100-Y104 HydrophobicContact CG1-CD2 3.68Å; V100-Y104 HydrophobicContact CG1-CE2 3.67Å; V100-Y104 WeakPolarHBondContact O-CD2 3.4Å; V100-Y104 PolarHBondContact O-N 3.24Å; T101-Y104 PolarHBondContact O-N 3.33Å; Q102-Y104 PolarHBondContact O-N 2.84Å; Y104-G108 PolarHBondContact O-N 3.27Å; Y104-A115 HydrophobicContact CD1-CB 3.86Å; Y104-A115 HydrophobicContact CE1-CB 3.84Å; Y104-A115 WeakPolarHBondContact CE1-O 3.19Å; Y104-I118 HydrophobicContact CD1-CD1 3.8Å; Y104-I118 HydrophobicContact CE1-CB 3.92Å; Y104-I118 HydrophobicContact CE1-CD1 3.9Å; Y104-I118 HydrophobicContact CE1-CG2 4.13Å; Y104-L120 HydrophobicContact CE2-CD1 4.02Å; Y104-L120 HydrophobicContact CE2-CG 4.47Å
105R97.4Very high96Very high179 Ų17957.3 Ų57.368%0.67528%0.283SS*.Hα-helixtrans-62.1-46.3175.7-71.9174.1178160.5-2111.6T101 Q102 C103 G108 A109T101-R105 WeakPolarHBondContact O-CG 3.43Å; T101-R105 PolarHBondContact O-N 3.03Å; T101-R105 VanDerWaalsContact O-N 3.14Å; Q102-R105 WeakPolarHBondContact O-CB 3.48Å; Q102-R105 PolarHBondContact O-N 3.42Å; C103-R105 VanDerWaalsContact C-N 3.35Å; C103-R105 PolarHBondContact O-N 3.46Å; R105-G108 PolarHBondContact O-N 2.91Å; R105-A109 VanDerWaalsContact O-CB 3.29Å; R105-A109 WeakPolarHBondContact O-CB 3.47Å; R105-A109 PolarHBondContact O-N 3.27Å
106D96.7Very high95.9Very high37 Ų3760 Ų6020%0.19830%0.297CS..Hα-helixtrans-63.5-43.5178.5-91.87000112.9R89 Y91 Q102 C103 A109 R110R89-D106 IonicContact NH1-OD2 2.74Å; Y91-D106 HydrophobicContact CE1-CB 4.47Å; Y91-D106 WeakPolarHBondContact CE1-OD2 3.26Å; Y91-D106 VanDerWaalsContact OH-CB 3.24Å; Y91-D106 WeakPolarHBondContact OH-CB 3.25Å; Y91-D106 PolarHBondContact OH-OD2 3.2Å; Q102-D106 WeakPolarHBondContact O-CB 3.4Å; Q102-D106 PolarHBondContact O-N 3.36Å; C103-D106 PolarHBondContact O-N 3.23Å; D106-A109 PolarHBondContact O-N 3.39Å; D106-R110 WeakPolarHBondContact O-CB 3.36Å; D106-R110 PolarHBondContact O-N 2.95Å; D106-R110 IonicContact OD1-CZ 3.93Å; D106-R110 IonicContact OD1-NH1 2.64Å; D106-R110 PolarHBondContact OD1-NH1 3.35Å; D106-R110 IonicContact OD2-NH1 3.96Å; D106-R110 PolarHBondContact OD2-NH1 3.04Å
107M97Very high95.8Very high0 Ų061 Ų610%030%0.303CS..Hα-helixtrans-66.7-38.6178.8-72.7-57.3-61.200111.4L76 Y78 M87 R89 C103 H111 R112 A113 I118L76-M107 HydrophobicContact CD1-CE 4.04Å; L76-M107 HydrophobicContact CD1-SD 4.34Å; L76-M107 HydrophobicContact CD2-CG 4.2Å; L76-M107 HydrophobicContact CD2-SD 4.28Å; Y78-M107 HydrophobicContact CD1-CE 3.44Å; Y78-M107 VanDerWaalsContact CD1-CE 3.44Å; Y78-M107 HydrophobicContact CD2-CE 3.58Å; Y78-M107 HydrophobicContact CE1-CE 3.68Å; Y78-M107 HydrophobicContact CE2-CE 3.79Å; Y78-M107 HydrophobicContact CG-CE 3.39Å; M87-M107 HydrophobicContact SD-CE 3.85Å; M87-M107 HydrophobicContact SD-SD 3.89Å; R89-M107 PolarHBondContact NE-SD 2.92Å; R89-M107 VanDerWaalsContact NE-SD 3.36Å; C103-M107 WeakPolarHBondContact O-CB 3.24Å; C103-M107 VanDerWaalsContact O-CG 3.25Å; C103-M107 WeakPolarHBondContact O-CG 2.95Å; C103-M107 PolarHBondContact O-N 3.18Å; M107-H111 HydrophobicContact CE-CB 3.96Å; M107-H111 CarbonylContact O-C 3.59Å; M107-H111 WeakPolarHBondContact O-CA 3.45Å; M107-H111 WeakPolarHBondContact O-CB 3.3Å; M107-H111 PolarHBondContact O-N 3.01Å; M107-H111 VanDerWaalsContact O-N 3.16Å; M107-H111 VanDerWaalsContact SD-CD2 3.58Å; M107-R112 PolarHBondContact O-N 3.5Å; M107-A113 HydrophobicContact CB-CB 4.13Å; M107-A113 HydrophobicContact CE-CB 3.94Å; M107-A113 WeakPolarHBondContact O-CB 3.43Å; M107-A113 PolarHBondContact O-N 3.11Å; M107-I118 HydrophobicContact CB-CD1 3.51Å; M107-I118 HydrophobicContact CB-CG1 4.45Å; M107-I118 HydrophobicContact CG-CD1 4.13Å
108G96.1Very high95.8Very high35 Ų3560.2 Ų60.236%0.36130%0.297SS..Hα-helixtrans-65.6-45.9172.300000112.7Y104 R105 R112Y104-G108 PolarHBondContact O-N 3.27Å; R105-G108 PolarHBondContact O-N 2.91Å; G108-R112 VanDerWaalsContact O-CA 3.24Å; G108-R112 WeakPolarHBondContact O-CA 2.95Å; G108-R112 PolarHBondContact O-N 2.86Å
109A96.7Very high95.8Very high79 Ų7960.6 Ų60.665%0.65329%0.294SS*.Hα-helixtrans-72.9-50-175.900000113.1R105 D106R105-A109 VanDerWaalsContact O-CB 3.29Å; R105-A109 WeakPolarHBondContact O-CB 3.47Å; R105-A109 PolarHBondContact O-N 3.27Å; D106-A109 PolarHBondContact O-N 3.39Å
110R94.9Very high95.8Very high165 Ų16562.3 Ų62.362%0.62330%0.303SS*.Hα-helixtrans-90.3-36.2-172.2-65.8-171.6178.880.2-2.3113.7D106D106-R110 WeakPolarHBondContact O-CB 3.36Å; D106-R110 PolarHBondContact O-N 2.95Å; D106-R110 IonicContact OD1-CZ 3.93Å; D106-R110 IonicContact OD1-NH1 2.64Å; D106-R110 PolarHBondContact OD1-NH1 3.35Å; D106-R110 IonicContact OD2-NH1 3.96Å; D106-R110 PolarHBondContact OD2-NH1 3.04Å
111H95.7Very high95.7Very high63 Ų6367.6 Ų67.629%0.29233%0.33SS..Hα-helixtrans-104.9-1.5-176.6-65.4-72000113.3Y78 M87 R89 M107 A113Y78-H111 HydrophobicContact CE2-CB 4.11Å; M87-H111 WeakPolarHBondContact CE-CE1 3.49Å; R89-H111 PolarHBondContact NH2-CD2 2.8Å; R89-H111 VanDerWaalsContact NH2-CD2 3.35Å; R89-H111 PolarHBondContact NH2-NE2 3.06Å; M107-H111 HydrophobicContact CE-CB 3.96Å; M107-H111 CarbonylContact O-C 3.59Å; M107-H111 WeakPolarHBondContact O-CA 3.45Å; M107-H111 WeakPolarHBondContact O-CB 3.3Å; M107-H111 PolarHBondContact O-N 3.01Å; M107-H111 VanDerWaalsContact O-N 3.16Å; M107-H111 VanDerWaalsContact SD-CD2 3.58Å; H111-A113 HydrophobicContact CB-CB 4.3Å; H111-A113 PolarHBondContact O-N 3.31Å
112R94.8Very high95.7Very high182 Ų18271.2 Ų71.269%0.68734%0.343SS*.  trans50.728.5-173.5-57.4179.2178.5-170.5-2.3111.8M107 G108M107-R112 PolarHBondContact O-N 3.5Å; G108-R112 VanDerWaalsContact O-CA 3.24Å; G108-R112 WeakPolarHBondContact O-CA 2.95Å; G108-R112 PolarHBondContact O-N 2.86Å
113A95.8Very high95.7Very high10 Ų1069.3 Ų69.38%0.08334%0.335CS..  trans-77.2129.1-177.600000108.7Y78 M107 H111 I118Y78-A113 HydrophobicContact CD2-CB 3.65Å; Y78-A113 HydrophobicContact CE2-CB 4.17Å; Y78-A113 HydrophobicContact CG-CB 4.46Å; M107-A113 HydrophobicContact CB-CB 4.13Å; M107-A113 HydrophobicContact CE-CB 3.94Å; M107-A113 WeakPolarHBondContact O-CB 3.43Å; M107-A113 PolarHBondContact O-N 3.11Å; H111-A113 HydrophobicContact CB-CB 4.3Å; H111-A113 PolarHBondContact O-N 3.31Å; A113-I118 HydrophobicContact CB-CD1 4.1Å; A113-I118 HydrophobicContact CB-CG1 4.11Å
114R94.1Very high95.6Very high187 Ų18773.2 Ų73.271%0.70635%0.353SS*.  trans-76.4145.7175.8-58.1-179.3172.5125.9-4.2109.5D116 T117 I118R114-D116 WeakPolarHBondContact CB-OD1 3.12Å; R114-D116 PolarHBondContact O-N 3.36Å; R114-T117 HydrophobicContact CB-CG2 4.4Å; R114-T117 PolarHBondContact O-N 3.43Å; R114-T117 VanDerWaalsContact O-N 3.17Å; R114-T117 PolarHBondContact O-OG1 2.72Å; R114-T117 VanDerWaalsContact O-OG1 3.09Å; R114-I118 PolarHBondContact O-N 3.33Å
115A93.2Very high95.6Very high58 Ų5876.2 Ų76.248%0.47937%0.369SS..THydrogen-bonded Turntrans-64.4-25.8-173.200000113.6R37 Y104R37-A115 PolarHBondContact NH2-O 3.3Å; Y104-A115 HydrophobicContact CD1-CB 3.86Å; Y104-A115 HydrophobicContact CE1-CB 3.84Å; Y104-A115 WeakPolarHBondContact CE1-O 3.19Å
116D91.7Very high95.5Very high99 Ų9968.4 Ų68.453%0.52934%0.34SS..THydrogen-bonded Turntrans-67.1-39.3175.460.2-44.3000112.5R37 R114R37-D116 PolarHBondContact NH1-O 3.3Å; R37-D116 VanDerWaalsContact NH2-CA 3.32Å; R37-D116 PolarHBondContact NH2-O 3.49Å; R37-D116 VanDerWaalsContact NH2-O 3.15Å; R114-D116 WeakPolarHBondContact CB-OD1 3.12Å; R114-D116 PolarHBondContact O-N 3.36Å
117T94Very high95.6Very high26 Ų2669.8 Ų69.816%0.1635%0.351CS..THydrogen-bonded Turntrans-77.6-20.4-178.273.60000113.8D79 R114 Q119D79-T117 HydrophobicContact CB-CG2 4.47Å; D79-T117 PolarHBondContact O-OG1 3.38Å; R114-T117 HydrophobicContact CB-CG2 4.4Å; R114-T117 PolarHBondContact O-N 3.43Å; R114-T117 VanDerWaalsContact O-N 3.17Å; R114-T117 PolarHBondContact O-OG1 2.72Å; R114-T117 VanDerWaalsContact O-OG1 3.09Å; T117-Q119 PolarHBondContact O-N 3.46Å
118I95.8Very high95.5Very high1 Ų172.1 Ų72.11%0.00537%0.37CS..  trans-75.6124.9178.2-59.5165.9000110.2Y104 M107 A113 R114 L120Y104-I118 HydrophobicContact CD1-CD1 3.8Å; Y104-I118 HydrophobicContact CE1-CB 3.92Å; Y104-I118 HydrophobicContact CE1-CD1 3.9Å; Y104-I118 HydrophobicContact CE1-CG2 4.13Å; M107-I118 HydrophobicContact CB-CD1 3.51Å; M107-I118 HydrophobicContact CB-CG1 4.45Å; M107-I118 HydrophobicContact CG-CD1 4.13Å; A113-I118 HydrophobicContact CB-CD1 4.1Å; A113-I118 HydrophobicContact CB-CG1 4.11Å; R114-I118 PolarHBondContact O-N 3.33Å; I118-L120 HydrophobicContact CG2-CD2 4.44Å
119Q94.9Very high95.5Very high24 Ų2475.7 Ų75.711%0.11239%0.389CS..EExtended strand (participates in β ladder)trans-119.4118.1175.6-63.5172.515.600109.3Y40 F41 L76 R77 T117Y40-Q119 PolarHBondContact OH-NE2 3.24Å; F41-Q119 HydrophobicContact CE1-CB 4.41Å; F41-Q119 HydrophobicContact CE1-CG 4.22Å; F41-Q119 HydrophobicContact CZ-CB 4.39Å; F41-Q119 HydrophobicContact CZ-CG 4.28Å; L76-Q119 CarbonylContact C-O 3.55Å; L76-Q119 WeakPolarHBondContact CA-O 3.25Å; L76-Q119 WeakPolarHBondContact CB-O 3.26Å; R77-Q119 HydrophobicContact CB-CB 4.41Å; R77-Q119 PolarHBondContact N-O 2.79Å; R77-Q119 VanDerWaalsContact NH1-NE2 3.14Å; R77-Q119 PolarHBondContact O-N 3.13Å; T117-Q119 PolarHBondContact O-N 3.46Å
120L96.2Very high95.5Very high36 Ų3678.8 Ų78.819%0.18839%0.388CS..EExtended strand (participates in β ladder)trans-83.5120.5175.3-58.1170.3000108.7F27 I74 L76 V100 Y104 I118 I123F27-L120 HydrophobicContact CB-CD1 4.15Å; F27-L120 HydrophobicContact CD2-CD1 3.91Å; F27-L120 HydrophobicContact CG-CD1 4.28Å; I74-L120 HydrophobicContact CG2-CD2 3.65Å; L76-L120 HydrophobicContact CB-CD2 4.13Å; V100-L120 HydrophobicContact CG1-CD1 3.66Å; V100-L120 HydrophobicContact CG2-CD1 4.12Å; Y104-L120 HydrophobicContact CE2-CD1 4.02Å; Y104-L120 HydrophobicContact CE2-CG 4.47Å; I118-L120 HydrophobicContact CG2-CD2 4.44Å; L120-I123 HydrophobicContact CB-CD1 4.5Å; L120-I123 HydrophobicContact CD1-CD1 4.11Å
121I95.4Very high95.6Very high111 Ų11171 Ų7157%0.56936%0.36SS*.EExtended strand (participates in β ladder)trans-90.6-50.3-178.8-58.2173.8000109.9W75 R77W75-I121 HydrophobicContact CB-CB 4.39Å; W75-I121 WeakPolarHBondContact O-CB 3.46Å; W75-I121 PolarHBondContact O-N 2.8Å; R77-I121 HydrophobicContact CB-CD1 4.06Å
122K96.7Very high95.6Very high106 Ų10676.9 Ų76.946%0.46138%0.379SS..EExtended strand (participates in β ladder)trans-145.8142-178.3-169.5-174.8-172.1-166.50109.8W75 E124W75-K122 HydrophobicContact CB-CB 4.21Å; W75-K122 HydrophobicContact CD2-CB 4.31Å; W75-K122 HydrophobicContact CE3-CB 3.85Å; W75-K122 HydrophobicContact CE3-CD 4.1Å; W75-K122 HydrophobicContact CE3-CG 4.07Å; W75-K122 HydrophobicContact CG-CB 4.5Å; W75-K122 HydrophobicContact CZ3-CD 4.15Å; W75-K122 HydrophobicContact CZ3-CG 4.33Å; W75-K122 PolarHBondContact N-O 3.08Å; W75-K122 PolarHBondContact O-N 2.69Å; K122-E124 WeakPolarHBondContact CE-OE2 3.38Å; K122-E124 IonicContact NZ-OE2 3.29Å; K122-E124 PolarHBondContact NZ-OE2 2.99Å
123I96.9Very high95.6Very high22 Ų2273.5 Ų73.511%0.11337%0.366CS..EExtended strand (participates in β ladder)trans-131.2123.9169.1-62.9152.3000107.7R25 F27 Y72 G73 I74 A96 V100 L120R25-I123 PolarHBondContact NH1-O 3.19Å; F27-I123 HydrophobicContact CD2-CD1 3.71Å; F27-I123 HydrophobicContact CE2-CD1 3.14Å; F27-I123 HydrophobicContact CZ-CD1 3.7Å; Y72-I123 HydrophobicContact CD1-CG2 4.21Å; G73-I123 WeakPolarHBondContact O-CA 3.48Å; I74-I123 HydrophobicContact CG1-CG1 4.17Å; I74-I123 HydrophobicContact CG1-CG2 4.39Å; I74-I123 HydrophobicContact CG2-CG1 4.17Å; A96-I123 HydrophobicContact CB-CG2 4.21Å; V100-I123 HydrophobicContact CG2-CD1 3.35Å; V100-I123 HydrophobicContact CG2-CG1 4.16Å; L120-I123 HydrophobicContact CB-CD1 4.5Å; L120-I123 HydrophobicContact CD1-CD1 4.11Å
124E96.7Very high95.6Very high82 Ų8276.8 Ų76.838%0.38339%0.393SS..EExtended strand (participates in β ladder)trans-133141.9-176.2-166.3175.5173.600110Y72 G73 W75 K122Y72-E124 CarbonylContact C-O 3.56Å; Y72-E124 VanDerWaalsContact CA-O 3.29Å; Y72-E124 WeakPolarHBondContact CA-O 3.46Å; G73-E124 PolarHBondContact N-O 2.71Å; G73-E124 PolarHBondContact O-N 3.14Å; W75-E124 HydrophobicContact CH2-CB 4.21Å; W75-E124 HydrophobicContact CZ3-CB 3.77Å; K122-E124 WeakPolarHBondContact CE-OE2 3.38Å; K122-E124 IonicContact NZ-OE2 3.29Å; K122-E124 PolarHBondContact NZ-OE2 2.99Å
125E96.2Very high95.6Very high99 Ų9972.3 Ų72.346%0.46338%0.38SS..EExtended strand (participates in β ladder)trans-76.8122.7167.5-179.3171.8169.800108.5K70 N71 Y72K70-E125 HydrophobicContact CB-CG 4.38Å; K70-E125 HydrophobicContact CD-CG 4.5Å; K70-E125 VanDerWaalsContact CD-OE1 3.3Å; K70-E125 WeakPolarHBondContact CD-OE1 3.32Å; K70-E125 VanDerWaalsContact CE-OE1 3.29Å; K70-E125 WeakPolarHBondContact CE-OE1 3.47Å; K70-E125 WeakPolarHBondContact CG-OE1 3.09Å; K70-E125 VanDerWaalsContact NZ-CD 3.26Å; K70-E125 IonicContact NZ-OE1 2.7Å; K70-E125 PolarHBondContact NZ-OE1 2.96Å; K70-E125 IonicContact NZ-OE2 3.25Å; K70-E125 PolarHBondContact NZ-OE2 3.33Å; N71-E125 CarbonylContact O-C 3.41Å; N71-E125 WeakPolarHBondContact O-CA 3.45Å; Y72-E125 HydrophobicContact CD1-CB 4.32Å; Y72-E125 HydrophobicContact CE1-CB 4Å
126I97Very high95.8Very high14 Ų1469.7 Ų69.77%0.07236%0.358CS..EExtended strand (participates in β ladder)trans-109.4128.4-171.8-63.3-173.9000109.6N71 W75 Y88 K130N71-I126 WeakPolarHBondContact CB-O 3.29Å; N71-I126 PolarHBondContact ND2-O 3.12Å; N71-I126 PolarHBondContact O-N 3.35Å; W75-I126 HydrophobicContact CH2-CD1 3.95Å; Y88-I126 HydrophobicContact CE2-CD1 4.28Å; Y88-I126 WeakPolarHBondContact OH-CD1 3.3Å; I126-K130 HydrophobicContact CG2-CB 3.56Å
127P96.9Very high96Very high67 Ų6770.2 Ų70.244%0.43536%0.356SS..  trans-65.3149.9173.728.9-34.8000110.2S129 K130 C131P127-S129 PolarHBondContact O-N 3.47Å; P127-K130 HydrophobicContact CG-CB 4.06Å; P127-K130 HydrophobicContact CG-CD 3.82Å; P127-K130 HydrophobicContact CG-CG 3.9Å; P127-K130 PolarHBondContact O-N 3.2Å; P127-C131 PolarHBondContact O-N 3.17Å
128A95.5Very high96Very high49 Ų4974.5 Ų74.541%0.40537%0.374SS..G310 helixtrans-53.1-32.1-17600000113.9K130 C131 H140A128-K130 VanDerWaalsContact C-N 3.29Å; A128-K130 PolarHBondContact O-N 3.35Å; A128-C131 PolarHBondContact O-N 3.42Å; A128-H140 PolarHBondContact O-CD2 2.81Å
129S95.9Very high95.9Very high109 Ų10978 Ų7876%0.76239%0.389SS*.G310 helixtrans-64.6-28.8176.955.50000114.2P127P127-S129 PolarHBondContact O-N 3.47Å
130K96.6Very high95.8Very high144 Ų14479.6 Ų79.663%0.62640%0.396SS*.G310 helixtrans-96.2-6.1-177.7-68.9-175-176.1179.90113.3I126 P127 A128 R132I126-K130 HydrophobicContact CG2-CB 3.56Å; P127-K130 HydrophobicContact CG-CB 4.06Å; P127-K130 HydrophobicContact CG-CD 3.82Å; P127-K130 HydrophobicContact CG-CG 3.9Å; P127-K130 PolarHBondContact O-N 3.2Å; A128-K130 VanDerWaalsContact C-N 3.29Å; A128-K130 PolarHBondContact O-N 3.35Å; K130-R132 PolarHBondContact O-N 3.26Å
131C97.3Very high95.6Very high3 Ų382 Ų822%0.0241%0.41CS..  trans-62.8134.6173.7-69.10000109.9N71 P127 A128 V136 K137 H140N71-C131 VanDerWaalsContact CB-SG 3.54Å; N71-C131 VanDerWaalsContact CG-SG 3.51Å; N71-C131 PolarHBondContact ND2-SG 2.86Å; P127-C131 PolarHBondContact O-N 3.17Å; A128-C131 PolarHBondContact O-N 3.42Å; C131-V136 HydrophobicContact CB-CG1 4.15Å; C131-K137 HydrophobicContact CB-CG 4.47Å; C131-K137 WeakPolarHBondContact O-CE 3.46Å; C131-H140 WeakPolarHBondContact CB-NE2 3.44Å
132R95.6Very high95.4Very high185 Ų18582.5 Ų82.570%0.69842%0.423SS*.  trans-106.4-32.1-174.6-59.2-178.5-177.7-175-2.1111.9E90 K130E90-R132 VanDerWaalsContact CD-N 3.3Å; E90-R132 PolarHBondContact OE1-N 3.32Å; E90-R132 PolarHBondContact OE2-N 3.43Å; K130-R132 PolarHBondContact O-N 3.26Å
133R95.6Very high95.3Very high112 Ų11285.6 Ų85.642%0.42344%0.436SS..  trans-83.4130.5-170-57-62.6-174.2176.20.7111.9Y88 E90 H135 V136 K137Y88-R133 PolarHBondContact O-NH2 3.18Å; E90-R133 HydrophobicContact CB-CB 4.38Å; E90-R133 HydrophobicContact CB-CG 3.97Å; E90-R133 HydrophobicContact CG-CG 3.9Å; E90-R133 WeakPolarHBondContact OE2-CB 3.38Å; E90-R133 WeakPolarHBondContact OE2-CG 3.16Å; E90-R133 PolarHBondContact OE2-N 3.29Å; R133-H135 VanDerWaalsContact C-N 3.28Å; R133-H135 WeakPolarHBondContact CB-CE1 3.37Å; R133-H135 PolarHBondContact O-N 2.84Å; R133-V136 HydrophobicContact CB-CG2 4.45Å; R133-V136 PolarHBondContact O-N 3.24Å; R133-K137 WeakPolarHBondContact O-CG 3.34Å; R133-K137 PolarHBondContact O-N 3.23Å
134A96Very high95.1Very high78 Ų7887.4 Ų87.465%0.64545%0.446SS*.Hα-helixtrans-55.8-40.7-177.800000112.9V136 K137 Q138A134-V136 PolarHBondContact O-N 2.87Å; A134-K137 PolarHBondContact O-N 3.03Å; A134-Q138 PolarHBondContact O-N 3.2Å
135H94.2Very high94.9Very high94 Ų9493 Ų9344%0.43547%0.468SS..Hα-helixtrans-66.1-19.5179.271.1-85.7000113.7E90 R133 Q138 F139E90-H135 PolarHBondContact O-NE2 2.84Å; R133-H135 VanDerWaalsContact C-N 3.28Å; R133-H135 WeakPolarHBondContact CB-CE1 3.37Å; R133-H135 PolarHBondContact O-N 2.84Å; H135-Q138 VanDerWaalsContact CA-NE2 3.35Å; H135-Q138 WeakPolarHBondContact O-CG 3.41Å; H135-Q138 PolarHBondContact O-NE2 3.14Å; H135-F139 VanDerWaalsContact O-CD2 3.23Å; H135-F139 WeakPolarHBondContact O-CD2 3.38Å; H135-F139 WeakPolarHBondContact O-CE2 3.23Å
136V96.2Very high94.6Very high2 Ų295.2 Ų95.21%0.01248%0.477CS..Hα-helixtrans-91.5-43172.2176.40000110.4N71 E90 R92 C131 R133 A134 Q138 F139N71-V136 HydrophobicContact CB-CG1 4.46Å; E90-V136 HydrophobicContact CB-CG2 3.74Å; R92-V136 HydrophobicContact CG-CG1 3.93Å; C131-V136 HydrophobicContact CB-CG1 4.15Å; R133-V136 HydrophobicContact CB-CG2 4.45Å; R133-V136 PolarHBondContact O-N 3.24Å; A134-V136 PolarHBondContact O-N 2.87Å; V136-Q138 VanDerWaalsContact C-N 3.26Å; V136-Q138 PolarHBondContact O-N 2.93Å; V136-F139 PolarHBondContact O-N 3.38Å; V136-F139 VanDerWaalsContact O-N 3.11Å
137K96Very high94.2Very high111 Ų11199.5 Ų99.548%0.48351%0.506SS..Hα-helixtrans-57.4-35.4179.9-74.8-175.7174-1760113.5C131 R133 A134 F139 H140C131-K137 HydrophobicContact CB-CG 4.47Å; C131-K137 WeakPolarHBondContact O-CE 3.46Å; R133-K137 WeakPolarHBondContact O-CG 3.34Å; R133-K137 PolarHBondContact O-N 3.23Å; A134-K137 PolarHBondContact O-N 3.03Å; K137-F139 PolarHBondContact O-N 3.03Å; K137-H140 WeakPolarHBondContact O-CB 3.44Å; K137-H140 PolarHBondContact O-N 3.43Å
138Q94.3Very high93.6Very high115 Ų115102.4 Ų102.454%0.53752%0.517SS..G310 helixtrans-55.8-25.5178.468.6-177.5-40.800113.4A134 H135 V136A134-Q138 PolarHBondContact O-N 3.2Å; H135-Q138 VanDerWaalsContact CA-NE2 3.35Å; H135-Q138 WeakPolarHBondContact O-CG 3.41Å; H135-Q138 PolarHBondContact O-NE2 3.14Å; V136-Q138 VanDerWaalsContact C-N 3.26Å; V136-Q138 PolarHBondContact O-N 2.93Å
139F94.3Very high93.1Very high74 Ų74107.9 Ų107.933%0.32554%0.538SS..G310 helixtrans-88.91.4-178.9-62.7-72.8000114.3H135 V136 K137 I144 F146H135-F139 VanDerWaalsContact O-CD2 3.23Å; H135-F139 WeakPolarHBondContact O-CD2 3.38Å; H135-F139 WeakPolarHBondContact O-CE2 3.23Å; V136-F139 PolarHBondContact O-N 3.38Å; V136-F139 VanDerWaalsContact O-N 3.11Å; K137-F139 PolarHBondContact O-N 3.03Å; F139-I144 HydrophobicContact CD1-CD1 4.22Å; F139-F146 HydrophobicContact CD1-CE1 4.29Å; F139-F146 AromaticContact CD1-CZ 3.83Å; F139-F146 HydrophobicContact CD1-CZ 3.83Å; F139-F146 AromaticContact CE1-CE1 3.8Å; F139-F146 HydrophobicContact CE1-CE1 3.8Å; F139-F146 AromaticContact CE1-CZ 3.79Å; F139-F146 HydrophobicContact CE1-CZ 3.79Å
140H92.7Very high92.4Very high58 Ų58109 Ų10927%0.26954%0.536SS..G310 helixtrans-87.5-15.8-179.5-60.6-18.4000113.1N71 R92 A128 C131 K137 S142N71-H140 PolarHBondContact OD1-CE1 3.1Å; R92-H140 PolarHBondContact NH1-CE1 2.79Å; R92-H140 PolarHBondContact NH1-ND1 2.89Å; A128-H140 PolarHBondContact O-CD2 2.81Å; C131-H140 WeakPolarHBondContact CB-NE2 3.44Å; K137-H140 WeakPolarHBondContact O-CB 3.44Å; K137-H140 PolarHBondContact O-N 3.43Å; H140-S142 PolarHBondContact O-N 2.96Å
141N91.8Very high91.5Very high88 Ų88112.3 Ų112.347%0.47154%0.544SS..  trans-74.8120.5175.91753.6000109.8K143 I144N141-K143 PolarHBondContact O-N 3.3Å; N141-K143 WeakPolarHBondContact OD1-CB 3.36Å; N141-K143 PolarHBondContact OD1-N 2.87Å; N141-I144 HydrophobicContact CB-CG2 3.72Å; N141-I144 VanDerWaalsContact O-CG1 3.23Å; N141-I144 WeakPolarHBondContact O-CG1 3.31Å; N141-I144 WeakPolarHBondContact O-CG2 3.23Å; N141-I144 PolarHBondContact O-N 2.77Å
142S90.6Very high90.3Very high120 Ų120117 Ų11784%0.83957%0.573SS**THydrogen-bonded Turntrans-69-17.9179.457.50000113.9H140H140-S142 PolarHBondContact O-N 2.96Å
143K94Very high89.2Confident172 Ų172115.1 Ų115.175%0.74857%0.572SS**THydrogen-bonded Turntrans-87.8-0.7179.3-58.5-177.7-179.4178.90113.6N141 K145N141-K143 PolarHBondContact O-N 3.3Å; N141-K143 WeakPolarHBondContact OD1-CB 3.36Å; N141-K143 PolarHBondContact OD1-N 2.87Å; K143-K145 PolarHBondContact O-N 3.22Å
144I92.9Very high87.8Confident60 Ų60118.2 Ų118.231%0.30859%0.589SS.*  trans-62.4135.4178.865-171.3000110.2F139 N141 F146F139-I144 HydrophobicContact CD1-CD1 4.22Å; N141-I144 HydrophobicContact CB-CG2 3.72Å; N141-I144 VanDerWaalsContact O-CG1 3.23Å; N141-I144 WeakPolarHBondContact O-CG1 3.31Å; N141-I144 WeakPolarHBondContact O-CG2 3.23Å; N141-I144 PolarHBondContact O-N 2.77Å; I144-F146 HydrophobicContact CD1-CE2 3.94Å; I144-F146 HydrophobicContact CD1-CZ 3.73Å; I144-F146 HydrophobicContact CG1-CE2 4.01Å; I144-F146 HydrophobicContact CG1-CZ 4.19Å
145K92.5Very high86.3Confident198 Ų198124.1 Ų124.186%0.86159%0.594SS**  trans-117.8130.4175-64.8-178.4-177.1177.60107.8K143K143-K145 PolarHBondContact O-N 3.22Å
146F89.9Confident84.9Confident146 Ų146124.4 Ų124.464%0.6461%0.607SS**  trans-90.7135.9173.5-64.2-77.9000109.3F139 I144 L148F139-F146 HydrophobicContact CD1-CE1 4.29Å; F139-F146 AromaticContact CD1-CZ 3.83Å; F139-F146 HydrophobicContact CD1-CZ 3.83Å; F139-F146 AromaticContact CE1-CE1 3.8Å; F139-F146 HydrophobicContact CE1-CE1 3.8Å; F139-F146 AromaticContact CE1-CZ 3.79Å; F139-F146 HydrophobicContact CE1-CZ 3.79Å; I144-F146 HydrophobicContact CD1-CE2 3.94Å; I144-F146 HydrophobicContact CD1-CZ 3.73Å; I144-F146 HydrophobicContact CG1-CE2 4.01Å; I144-F146 HydrophobicContact CG1-CZ 4.19Å; F146-L148 PolarHBondContact O-N 3.42Å
147P89.2Confident83.4Confident104 Ų104132.9 Ų132.968%0.67564%0.643SS**  trans-60.2134.1170.826.5-32.9000108.8L149P147-L149 PolarHBondContact O-N 3.25Å
148L85.4Confident81.9Confident129 Ų129134.3 Ų134.368%0.67565%0.65SS**  trans-75.194.9175.3-173.870.7000108.4F146 N150 R151F146-L148 PolarHBondContact O-N 3.42Å; L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 2.91Å; L148-R151 HydrophobicContact CD2-CB 4.1Å; L148-R151 HydrophobicContact CD2-CG 4.3Å
149L83.6Confident80.7Confident163 Ų163133 Ų13385%0.85365%0.651SS**SBendtrans-52.4-44.4-174.4-75.1102.4000112.7P147P147-L149 PolarHBondContact O-N 3.25Å
150N82.5Confident79.5Confident133 Ų133139.1 Ų139.171%0.71168%0.678SS**SBendtrans-125.4110175.5-73.6-23.5000109.3L148 V152L148-N150 VanDerWaalsContact C-N 3.27Å; L148-N150 PolarHBondContact O-N 2.91Å; N150-V152 VanDerWaalsContact C-N 3.31Å; N150-V152 PolarHBondContact O-N 3.15Å
151R77.4Confident78.5Confident213 Ų213144.6 Ų144.680%0.80470%0.701SS**  trans-69.993.5166.8-174.9-179.3-71.1-177.7-0.9107.7L148 Q153L148-R151 HydrophobicContact CD2-CB 4.1Å; L148-R151 HydrophobicContact CD2-CG 4.3Å; R151-Q153 PolarHBondContact O-N 3.48Å
152V72.7Confident77.1Confident101 Ų101145.5 Ų145.561%0.61271%0.71SS**  trans-57.8105.6170.4-1800000107.1N150 K154N150-V152 VanDerWaalsContact C-N 3.31Å; N150-V152 PolarHBondContact O-N 3.15Å; V152-K154 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 2.99Å
153Q71.2Confident75.8Confident146 Ų146146.4 Ų146.468%0.68271%0.71SS**  trans-63.997.9171.4-69.1-171.2-8.600107R151 R155 S156R151-Q153 PolarHBondContact O-N 3.48Å; Q153-R155 PolarHBondContact O-N 2.9Å; Q153-S156 PolarHBondContact O-N 2.79Å; Q153-S156 VanDerWaalsContact O-N 3.14Å; Q153-S156 PolarHBondContact O-OG 2.73Å
154K65.6Low73.9Confident178 Ų178142.9 Ų142.977%0.77470%0.704SS**G310 helixtrans-55.4-13.8176.7-67.3-174.2179.4-178.90112.6V152 S156 K157 K158V152-K154 VanDerWaalsContact C-N 3.31Å; V152-K154 PolarHBondContact O-N 2.99Å; K154-S156 VanDerWaalsContact C-N 3.31Å; K154-S156 PolarHBondContact O-N 3.42Å; K154-K157 PolarHBondContact O-N 3.41Å; K154-K158 PolarHBondContact O-N 3.37Å
155R65.1Low72.1Confident201 Ų201150 Ų15076%0.75873%0.726SS**G310 helixtrans-61.8-32.4176.9-158176.1-179.2177.5-0.5113Q153 K157 K158Q153-R155 PolarHBondContact O-N 2.9Å; R155-K157 VanDerWaalsContact C-N 3.25Å; R155-K157 PolarHBondContact O-N 3.01Å; R155-K158 HydrophobicContact CG-CD 4.36Å; R155-K158 WeakPolarHBondContact O-CB 3.37Å; R155-K158 PolarHBondContact O-N 2.87Å; R155-K158 VanDerWaalsContact O-N 3.17Å
156S65.3Low70.4Confident101 Ų101145 Ų14571%0.70671%0.714SS**G310 helixtrans-70-21.7178.464.30000113.7Q153 K154Q153-S156 PolarHBondContact O-N 2.79Å; Q153-S156 VanDerWaalsContact O-N 3.14Å; Q153-S156 PolarHBondContact O-OG 2.73Å; K154-S156 VanDerWaalsContact C-N 3.31Å; K154-S156 PolarHBondContact O-N 3.42Å
157K64.4Low68.7Low179 Ų179144 Ų14478%0.77872%0.716SS**G310 helixtrans-94.61173.9-66.2-168.7178.1-172.70113.6K154 R155K154-K157 PolarHBondContact O-N 3.41Å; R155-K157 VanDerWaalsContact C-N 3.25Å; R155-K157 PolarHBondContact O-N 3.01Å
158K64.9Low67Low142 Ų142143.8 Ų143.862%0.61771%0.709SS**SBendtrans-67.1134.2166.2-68.6-172.6178-168.80106.7K154 R155 K160K154-K158 PolarHBondContact O-N 3.37Å; R155-K158 HydrophobicContact CG-CD 4.36Å; R155-K158 WeakPolarHBondContact O-CB 3.37Å; R155-K158 PolarHBondContact O-N 2.87Å; R155-K158 VanDerWaalsContact O-N 3.17Å; K158-K160 PolarHBondContact O-N 3.32Å
159P67.9Low65.5Low88 Ų88142 Ų14257%0.57170%0.697SS**  trans-57.4130.1172.828.8-35000107.4F161P159-F161 VanDerWaalsContact CB-O 3.26Å; P159-F161 WeakPolarHBondContact CB-O 3.38Å; P159-F161 PolarHBondContact O-N 3.03Å; P159-F161 VanDerWaalsContact O-N 3.12Å
160K69.2Low64.5Low201 Ų201139.9 Ų139.987%0.87468%0.678SS**SBendtrans-56.7-26.1178.3-76.3-179.9178.1177.20111.3K158K158-K160 PolarHBondContact O-N 3.32Å
161F73.3Confident63.9Low173 Ų173138 Ų13876%0.75968%0.675SS**SBendtrans-110.9127.9174.7-55.4-77.6000108.8P159 T163P159-F161 VanDerWaalsContact CB-O 3.26Å; P159-F161 WeakPolarHBondContact CB-O 3.38Å; P159-F161 PolarHBondContact O-N 3.03Å; P159-F161 VanDerWaalsContact O-N 3.12Å; F161-T163 PolarHBondContact O-N 2.78Å
162T62.1Low64.1Low108 Ų108128.6 Ų128.666%0.66364%0.644SS**  trans-70.6120.6169.957.20000108.5T164T162-T164 WeakPolarHBondContact CB-OG1 3.41Å; T162-T164 PolarHBondContact O-N 2.84Å
163T62.3Low65Low138 Ų138126 Ų12685%0.84763%0.627SS**SBendtrans-73.3-5.5169.7490000112.6F161 R165F161-T163 PolarHBondContact O-N 2.78Å; T163-R165 PolarHBondContact O-N 2.93Å
164T54.6Low65.9Low99 Ų99120.8 Ų120.861%0.60761%0.605SS**SBendtrans-65.9104.3161.351.90000107.1T162T162-T164 WeakPolarHBondContact CB-OG1 3.41Å; T162-T164 PolarHBondContact O-N 2.84Å
165R55.4Low67.2Low208 Ų208119.5 Ų119.579%0.78560%0.602SS**  trans-41.9129.6156.1-163.7176.2-170.3-177.82.6105.5T163 N167T163-R165 PolarHBondContact O-N 2.93Å; R165-N167 PolarHBondContact O-N 2.82Å
166P56.2Low68.6Low94 Ų94115.3 Ų115.361%0.6159%0.589SS**  trans-48.9124.8173.219.8-29.4000105.6N168P166-N168 PolarHBondContact O-N 3.02Å
167N54.3Low69.9Low126 Ų126110.5 Ų110.567%0.67456%0.556SS**  trans-55.5102.4167.9-84.8-15.7000103.2R165 H169R165-N167 PolarHBondContact O-N 2.82Å; N167-H169 PolarHBondContact O-N 2.7Å
168N53.8Low71.4Confident99 Ų99107.5 Ų107.553%0.52954%0.543SS..  trans-68.476.7169-81.1-4.9000103.8P166 R170 S171P166-N168 PolarHBondContact O-N 3.02Å; N168-R170 PolarHBondContact O-N 3.01Å; N168-S171 PolarHBondContact O-N 3.39Å; N168-S171 PolarHBondContact O-OG 3.08Å
169H54.3Low72.8Confident90 Ų90107.4 Ų107.442%0.41754%0.542SS..THydrogen-bonded Turntrans-55.9-1.4168-73.7-63.2000111.3N167 A263N167-H169 PolarHBondContact O-N 2.7Å; H169-A263 WeakPolarHBondContact O-CB 3.29Å
170R61.3Low74.1Confident120 Ų120104.2 Ų104.245%0.45352%0.52SS..THydrogen-bonded Turntrans-84.9-14.2174.5-65.7-177.9167.8-163.7-7.2114.6N168 G172 R232 E233N168-R170 PolarHBondContact O-N 3.01Å; R170-G172 PolarHBondContact O-N 3.31Å; R170-R232 PolarHBondContact O-NH1 3.43Å; R170-E233 IonicContact CZ-OE1 3.89Å; R170-E233 IonicContact NH1-OE1 3.02Å; R170-E233 PolarHBondContact NH1-OE1 2.99Å; R170-E233 IonicContact NH2-OE1 3.84Å; R170-E233 PolarHBondContact NH2-OE1 3.31Å
171S70.8Confident75.4Confident93 Ų9395 Ų9565%0.6548%0.481SS*.SBendtrans-87.489.3167.759.50000108.4N168N168-S171 PolarHBondContact O-N 3.39Å; N168-S171 PolarHBondContact O-OG 3.08Å
172G82.1Confident76.4Confident15 Ų1590.9 Ų90.916%0.15547%0.469CS..  trans-72162.1175.100000112.9R170 A263 D264R170-G172 PolarHBondContact O-N 3.31Å; G172-A263 VanDerWaalsContact CA-C 3.49Å; G172-A263 WeakPolarHBondContact CA-O 3.39Å; G172-D264 VanDerWaalsContact CA-OD1 3.25Å; G172-D264 WeakPolarHBondContact CA-OD1 3.41Å
173D89.9Confident77.9Confident48 Ų4891.6 Ų91.626%0.25747%0.465SS..  trans-89.9113.5171179-12.1000109.9E175 K176 G177 D264D173-E175 VanDerWaalsContact C-N 3.28Å; D173-E175 PolarHBondContact O-N 2.95Å; D173-E175 WeakPolarHBondContact OD1-CB 3.5Å; D173-E175 PolarHBondContact OD1-N 3.37Å; D173-K176 HydrophobicContact CB-CB 4.18Å; D173-K176 HydrophobicContact CB-CD 4.04Å; D173-K176 HydrophobicContact CB-CG 4.26Å; D173-K176 PolarHBondContact O-N 2.95Å; D173-K176 VanDerWaalsContact OD2-CD 3.3Å; D173-K176 WeakPolarHBondContact OD2-CD 3.42Å; D173-K176 WeakPolarHBondContact OD2-CE 3.47Å; D173-K176 WeakPolarHBondContact OD2-CG 3.09Å; D173-K176 IonicContact OD2-NZ 3.56Å; D173-K176 PolarHBondContact OD2-NZ 2.96Å; D173-G177 PolarHBondContact O-N 2.75Å; D173-D264 PolarHBondContact N-OD1 3.08Å; D173-D264 WeakPolarHBondContact O-CB 3.25Å
174P91.2Very high79.3Confident35 Ų3592 Ų9223%0.22745%0.451CS..Hα-helixtrans-65.4-26.9-177.625.6-33.2000113.4G177 K178 Q271P174-G177 PolarHBondContact O-N 3.04Å; P174-K178 PolarHBondContact O-N 3.11Å; P174-Q271 VanDerWaalsContact CB-CD 3.41Å; P174-Q271 HydrophobicContact CB-CG 4.38Å; P174-Q271 VanDerWaalsContact CB-OE1 3.23Å
175E92.9Very high81.3Confident151 Ų15187.9 Ų87.971%0.70643%0.426SS*.Hα-helixtrans-72-40.8178.9-63.1-173.4172.700111.3D173 G177 K178 K179D173-E175 VanDerWaalsContact C-N 3.28Å; D173-E175 PolarHBondContact O-N 2.95Å; D173-E175 WeakPolarHBondContact OD1-CB 3.5Å; D173-E175 PolarHBondContact OD1-N 3.37Å; E175-G177 VanDerWaalsContact C-N 3.32Å; E175-K178 PolarHBondContact O-N 3.48Å; E175-K179 PolarHBondContact O-N 2.77Å
176K93.2Very high83Confident113 Ų11379.7 Ų79.749%0.49140%0.4SS..Hα-helixtrans-67.8-37.2170.9-69.5176.3-168.1153.40111.1D173 K178 K179 L180 D264D173-K176 HydrophobicContact CB-CB 4.18Å; D173-K176 HydrophobicContact CB-CD 4.04Å; D173-K176 HydrophobicContact CB-CG 4.26Å; D173-K176 PolarHBondContact O-N 2.95Å; D173-K176 VanDerWaalsContact OD2-CD 3.3Å; D173-K176 WeakPolarHBondContact OD2-CD 3.42Å; D173-K176 WeakPolarHBondContact OD2-CE 3.47Å; D173-K176 WeakPolarHBondContact OD2-CG 3.09Å; D173-K176 IonicContact OD2-NZ 3.56Å; D173-K176 PolarHBondContact OD2-NZ 2.96Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 2.86Å; K176-K179 WeakPolarHBondContact O-CB 3.5Å; K176-K179 PolarHBondContact O-N 3.35Å; K176-L180 WeakPolarHBondContact O-CG 3.4Å; K176-L180 PolarHBondContact O-N 2.95Å; K176-D264 HydrophobicContact CB-CB 4.14Å; K176-D264 WeakPolarHBondContact CB-OD2 3.3Å
177G94.3Very high84.7Confident0 Ų082.2 Ų82.20%040%0.404CS..Hα-helixtrans-56.5-44.5172.600000112.8D173 P174 E175 K179 L180 F181 D264D173-G177 PolarHBondContact O-N 2.75Å; P174-G177 PolarHBondContact O-N 3.04Å; E175-G177 VanDerWaalsContact C-N 3.32Å; G177-K179 PolarHBondContact O-N 2.9Å; G177-L180 PolarHBondContact O-N 3.1Å; G177-F181 WeakPolarHBondContact O-CB 3.42Å; G177-F181 PolarHBondContact O-N 2.69Å; G177-D264 VanDerWaalsContact CA-C 3.41Å; G177-D264 WeakPolarHBondContact CA-O 3.19Å
178K94.9Very high86.7Confident117 Ų11778.4 Ų78.451%0.50939%0.387SS..Hα-helixtrans-59.1-45.5174.4-173.6174.8-179176.80111.8P174 E175 K176 L180 F181 V182 Y268P174-K178 PolarHBondContact O-N 3.11Å; E175-K178 PolarHBondContact O-N 3.48Å; K176-K178 VanDerWaalsContact C-N 3.33Å; K176-K178 PolarHBondContact O-N 2.86Å; K178-L180 VanDerWaalsContact C-N 3.35Å; K178-L180 PolarHBondContact O-N 3.38Å; K178-F181 WeakPolarHBondContact O-CB 3.34Å; K178-F181 PolarHBondContact O-N 3.31Å; K178-V182 WeakPolarHBondContact O-CG2 3.32Å; K178-V182 PolarHBondContact O-N 2.94Å; K178-Y268 HydrophobicContact CB-CD2 3.62Å; K178-Y268 HydrophobicContact CB-CE2 3.52Å; K178-Y268 HydrophobicContact CB-CG 4.24Å; K178-Y268 HydrophobicContact CD-CE2 4Å; K178-Y268 HydrophobicContact CG-CD2 4.26Å; K178-Y268 HydrophobicContact CG-CE2 3.62Å
179K95.7Very high88.6Confident140 Ų14074.7 Ų74.761%0.60937%0.366SS*.Hα-helixtrans-61.4-43.9177-67.6178.6-176.7176.50111.4E175 K176 G177 V182 Q183E175-K179 PolarHBondContact O-N 2.77Å; K176-K179 WeakPolarHBondContact O-CB 3.5Å; K176-K179 PolarHBondContact O-N 3.35Å; G177-K179 PolarHBondContact O-N 2.9Å; K179-V182 PolarHBondContact O-N 2.91Å; K179-Q183 WeakPolarHBondContact O-CB 3.43Å; K179-Q183 VanDerWaalsContact O-CG 3.25Å; K179-Q183 WeakPolarHBondContact O-CG 3.45Å; K179-Q183 PolarHBondContact O-N 3.42Å
180L94.8Very high90.5Very high21 Ų2171.4 Ų71.411%0.1135%0.353CS..Hα-helixtrans-63.5-41.4176-73.8168.4000112K176 G177 K178 Q183 R184 D261 D264 L265K176-L180 WeakPolarHBondContact O-CG 3.4Å; K176-L180 PolarHBondContact O-N 2.95Å; G177-L180 PolarHBondContact O-N 3.1Å; K178-L180 VanDerWaalsContact C-N 3.35Å; K178-L180 PolarHBondContact O-N 3.38Å; L180-Q183 PolarHBondContact O-N 3.25Å; L180-R184 WeakPolarHBondContact O-CB 3.5Å; L180-R184 PolarHBondContact O-N 2.93Å; L180-D261 HydrophobicContact CD1-CB 3.72Å; L180-D261 WeakPolarHBondContact CD1-O 3.48Å; L180-D261 HydrophobicContact CD2-CB 4.44Å; L180-D264 HydrophobicContact CD1-CB 4.13Å; L180-L265 HydrophobicContact CB-CD1 4.43Å
181F95.8Very high92.1Very high8 Ų866.3 Ų66.34%0.03534%0.335CS..Hα-helixtrans-60.6-47.6175.8-174.1-87.2000111.2G177 K178 Q183 R184 C185 S186 H189 V191 L203 L265 Y268 L269G177-F181 WeakPolarHBondContact O-CB 3.42Å; G177-F181 PolarHBondContact O-N 2.69Å; K178-F181 WeakPolarHBondContact O-CB 3.34Å; K178-F181 PolarHBondContact O-N 3.31Å; F181-Q183 VanDerWaalsContact C-N 3.3Å; F181-Q183 PolarHBondContact O-N 3.35Å; F181-R184 PolarHBondContact O-N 2.96Å; F181-C185 HydrophobicContact CD1-CB 4.43Å; F181-C185 HydrophobicContact CD2-CB 3.51Å; F181-C185 HydrophobicContact CE2-CB 3.66Å; F181-C185 HydrophobicContact CG-CB 3.92Å; F181-C185 HydrophobicContact CZ-CB 4.16Å; F181-C185 CarbonylContact O-C 3.59Å; F181-C185 WeakPolarHBondContact O-CA 3.37Å; F181-C185 WeakPolarHBondContact O-CB 3.44Å; F181-C185 PolarHBondContact O-N 3.29Å; F181-S186 PolarHBondContact O-N 2.91Å; F181-H189 HydrophobicContact CZ-CB 4.31Å; F181-V191 HydrophobicContact CE1-CB 4.1Å; F181-V191 HydrophobicContact CE1-CG1 4.1Å; F181-V191 HydrophobicContact CE2-CB 4.29Å; F181-V191 HydrophobicContact CE2-CG2 4.49Å; F181-V191 HydrophobicContact CZ-CB 3.74Å; F181-V191 HydrophobicContact CZ-CG1 4.26Å; F181-V191 HydrophobicContact CZ-CG2 4.41Å; F181-L203 HydrophobicContact CE2-CD1 3.87Å; F181-L265 HydrophobicContact CB-CD1 3.81Å; F181-L265 HydrophobicContact CD2-CD1 4.13Å; F181-Y268 HydrophobicContact CB-CD1 3.83Å; F181-Y268 HydrophobicContact CB-CE1 3.76Å; F181-Y268 HydrophobicContact CD1-CE1 4.04Å; F181-Y268 HydrophobicContact CD2-CD1 4.22Å; F181-Y268 HydrophobicContact CD2-CE1 4.06Å; F181-Y268 HydrophobicContact CG-CD1 4.06Å; F181-Y268 AromaticContact CG-CE1 3.68Å; F181-Y268 HydrophobicContact CG-CE1 3.68Å; F181-L269 HydrophobicContact CD2-CD2 4.14Å; F181-L269 HydrophobicContact CE2-CD2 4.02Å
182V93.9Very high93Very high86 Ų8669 Ų6952%0.52134%0.337SS..Hα-helixtrans-61.1-40177.3174.30000111.1K178 K179 S186K178-V182 WeakPolarHBondContact O-CG2 3.32Å; K178-V182 PolarHBondContact O-N 2.94Å; K179-V182 PolarHBondContact O-N 2.91Å; V182-S186 PolarHBondContact O-OG 3.45Å
183Q93.8Very high93.4Very high122 Ų12277 Ų7757%0.5737%0.368SS*.Hα-helixtrans-76.5-33-177.9-72.1173.93.300114.5K179 L180 F181K179-Q183 WeakPolarHBondContact O-CB 3.43Å; K179-Q183 VanDerWaalsContact O-CG 3.25Å; K179-Q183 WeakPolarHBondContact O-CG 3.45Å; K179-Q183 PolarHBondContact O-N 3.42Å; L180-Q183 PolarHBondContact O-N 3.25Å; F181-Q183 VanDerWaalsContact C-N 3.3Å; F181-Q183 PolarHBondContact O-N 3.35Å
184R92.7Very high93.3Very high147 Ų14778.4 Ų78.456%0.55539%0.393SS*.Hα-helixtrans-122.3-23.4-166.3-56.4-61.1-174.8141.6-0.5114.6L180 F181 F253L180-R184 WeakPolarHBondContact O-CB 3.5Å; L180-R184 PolarHBondContact O-N 2.93Å; F181-R184 PolarHBondContact O-N 2.96Å; R184-F253 HydrophobicContact CB-CE2 4.18Å
185C95Very high93.1Very high12 Ų1277.4 Ų77.48%0.08139%0.389CS..THydrogen-bonded Turntrans-115.6-34.7-170.2-53.20000112.8F181 Q187 C188 H189F181-C185 HydrophobicContact CD1-CB 4.43Å; F181-C185 HydrophobicContact CD2-CB 3.51Å; F181-C185 HydrophobicContact CE2-CB 3.66Å; F181-C185 HydrophobicContact CG-CB 3.92Å; F181-C185 HydrophobicContact CZ-CB 4.16Å; F181-C185 CarbonylContact O-C 3.59Å; F181-C185 WeakPolarHBondContact O-CA 3.37Å; F181-C185 WeakPolarHBondContact O-CB 3.44Å; F181-C185 PolarHBondContact O-N 3.29Å; C185-Q187 PolarHBondContact O-N 3.44Å; C185-Q187 VanDerWaalsContact O-N 3.13Å; C185-C188 PolarHBondContact O-N 2.89Å; C185-H189 PolarHBondContact O-N 3.19Å
186S92.7Very high93.1Very high36 Ų3674.5 Ų74.525%0.25238%0.384SS..THydrogen-bonded Turntrans-61-23.9-173.972.60000115F181 V182 C188 H189 K198F181-S186 PolarHBondContact O-N 2.91Å; V182-S186 PolarHBondContact O-OG 3.45Å; S186-C188 VanDerWaalsContact C-N 3.29Å; S186-C188 PolarHBondContact O-N 3.13Å; S186-H189 WeakPolarHBondContact CA-O 3.12Å; S186-K198 PolarHBondContact O-NZ 3.44Å
187Q91.8Very high93Very high147 Ų14771.5 Ų71.569%0.68737%0.373SS*.THydrogen-bonded Turntrans-63.2-36.8175.5-67.3-177.3-3400111.4C185C185-Q187 PolarHBondContact O-N 3.44Å; C185-Q187 VanDerWaalsContact O-N 3.13Å
188C94.8Very high92.8Very high46 Ų4676.7 Ų76.731%0.31140%0.396SS..THydrogen-bonded Turntrans-111.2-23.5-175.6-62.30000113.3C185 S186 K198 G200C185-C188 PolarHBondContact O-N 2.89Å; S186-C188 VanDerWaalsContact C-N 3.29Å; S186-C188 PolarHBondContact O-N 3.13Å; C188-K198 WeakPolarHBondContact O-CB 3.29Å; C188-G200 CarbonylContact O-C 3.57Å; C188-G200 VanDerWaalsContact O-CA 3.29Å; C188-G200 WeakPolarHBondContact O-CA 3.3Å; C188-G200 PolarHBondContact O-N 3.46Å
189H94.9Very high92.7Very high21 Ų2176.3 Ų76.310%0.09740%0.403CS..  trans-127.7149.6-170.2-63.2-79.3000112.5F181 C185 S186 P201 L203F181-H189 HydrophobicContact CZ-CB 4.31Å; C185-H189 PolarHBondContact O-N 3.19Å; S186-H189 WeakPolarHBondContact CA-O 3.12Å; H189-P201 PolarHBondContact ND1-O 2.9Å; H189-L203 HydrophobicContact CB-CD1 3.49Å; H189-L203 VanDerWaalsContact CB-CD1 3.49Å; H189-L203 HydrophobicContact CB-CG 3.76Å; H189-L203 VanDerWaalsContact CG-CD1 3.44Å
190T94.4Very high92.5Very high21 Ų2169.9 Ų69.913%0.12938%0.376CS..  trans-105.1159.2166.252.10000109.6P196 K198 N202 L203T190-P196 HydrophobicContact CG2-CG 4.3Å; T190-P196 WeakPolarHBondContact CG2-O 3.14Å; T190-P196 PolarHBondContact OG1-O 3.46Å; T190-K198 HydrophobicContact CG2-CD 4.33Å; T190-K198 HydrophobicContact CG2-CG 4.38Å; T190-N202 PolarHBondContact O-OD1 2.82Å; T190-N202 VanDerWaalsContact O-OD1 3.1Å; T190-L203 PolarHBondContact O-N 3.43Å
191V93.6Very high92.5Very high14 Ų1469.6 Ų69.69%0.08538%0.376CS..  trans-130.2-3.1-178.274.80000113.1F181 H204 Y268 L269 N272F181-V191 HydrophobicContact CE1-CB 4.1Å; F181-V191 HydrophobicContact CE1-CG1 4.1Å; F181-V191 HydrophobicContact CE2-CB 4.29Å; F181-V191 HydrophobicContact CE2-CG2 4.49Å; F181-V191 HydrophobicContact CZ-CB 3.74Å; F181-V191 HydrophobicContact CZ-CG1 4.26Å; F181-V191 HydrophobicContact CZ-CG2 4.41Å; V191-H204 WeakPolarHBondContact O-CB 3.29Å; V191-H204 PolarHBondContact O-CD2 2.95Å; V191-Y268 HydrophobicContact CG1-CE1 4.4Å; V191-Y268 HydrophobicContact CG2-CE1 4.33Å; V191-L269 HydrophobicContact CG2-CD2 4.36Å; V191-N272 HydrophobicContact CG2-CB 3.5Å
192E91.5Very high92.4Very high150 Ų15069.8 Ų69.870%0.70138%0.377SS*.SBendtrans-81148.8178.4-65.8172.2-177.700111G194 G195 N202E192-G194 PolarHBondContact O-N 2.74Å; E192-G194 VanDerWaalsContact O-N 3.16Å; E192-G195 PolarHBondContact O-N 2.83Å; E192-N202 PolarHBondContact O-ND2 3.14Å
193K89.9Confident92.4Very high182 Ų18266.6 Ų66.679%0.79136%0.357SS*.THydrogen-bonded Turntrans-60.4117.6178.3-169.7177.1178.9-179.80110G195 H204K193-G195 VanDerWaalsContact C-N 3.28Å; K193-G195 PolarHBondContact O-N 2.76Å; K193-H204 VanDerWaalsContact CA-CD2 3.5Å; K193-H204 WeakPolarHBondContact CA-CD2 3.46Å; K193-H204 PolarHBondContact N-CD2 3.23Å; K193-H204 VanDerWaalsContact N-CD2 3.3Å
194G86.9Confident92.4Very high77 Ų7763.3 Ų63.379%0.79434%0.342SS*.THydrogen-bonded Turntrans76.68.2-177.400000115E192E192-G194 PolarHBondContact O-N 2.74Å; E192-G194 VanDerWaalsContact O-N 3.16Å
195G88.5Confident92.3Very high14 Ų1457.1 Ų57.114%0.14432%0.324CS..PPolyproline II helixtrans-59152.7175.100000113.5E192 K193 N202E192-G195 PolarHBondContact O-N 2.83Å; K193-G195 VanDerWaalsContact C-N 3.28Å; K193-G195 PolarHBondContact O-N 2.76Å; G195-N202 WeakPolarHBondContact CA-ND2 3.41Å; G195-N202 PolarHBondContact N-ND2 3.46Å; G195-N202 PolarHBondContact O-ND2 2.98Å
196P91.4Very high92.3Very high90 Ų9057.1 Ų57.158%0.58432%0.323SS*.PPolyproline II helixtrans-68.6149.4-175.728.1-35.4000112.3T190T190-P196 HydrophobicContact CG2-CG 4.3Å; T190-P196 WeakPolarHBondContact CG2-O 3.14Å; T190-P196 PolarHBondContact OG1-O 3.46Å
197N91.5Very high92.2Very high51 Ų5157.6 Ų57.627%0.27332%0.324SS..PPolyproline II helixtrans-71.8132.3165.6-63.4-38.1000108.9P201 N202 V214 P215 Y217N197-P201 WeakPolarHBondContact OD1-CA 3.3Å; N197-N202 PolarHBondContact OD1-N 3.32Å; N197-V214 WeakPolarHBondContact OD1-CG1 3.36Å; N197-P215 PolarHBondContact ND2-O 2.89Å; N197-P215 VanDerWaalsContact ND2-O 3.13Å; N197-Y217 HydrophobicContact CB-CD2 4.2Å
198K91.4Very high92.1Very high108 Ų10853.2 Ų53.247%0.4732%0.319SS..  trans-107.4-139173.1-59.3-179.7178.3179.40108.7S186 C188 T190 G200S186-K198 PolarHBondContact O-NZ 3.44Å; C188-K198 WeakPolarHBondContact O-CB 3.29Å; T190-K198 HydrophobicContact CG2-CD 4.33Å; T190-K198 HydrophobicContact CG2-CG 4.38Å; K198-G200 CarbonylContact C-O 3.54Å; K198-G200 PolarHBondContact N-O 3.42Å; K198-G200 PolarHBondContact O-N 2.93Å; K198-G200 VanDerWaalsContact O-N 3.16Å
199T91.2Very high92Very high110 Ų11053.2 Ų53.268%0.67531%0.312SS*.SBendtrans-55.9-26.4168.6-41.80000112.2Y217T199-Y217 PolarHBondContact O-OH 3.39Å
200G92.2Very high91.9Very high4 Ų457.3 Ų57.34%0.04133%0.33CS..SBendtrans-123.4163.9170.900000112.6C188 K198C188-G200 CarbonylContact O-C 3.57Å; C188-G200 VanDerWaalsContact O-CA 3.29Å; C188-G200 WeakPolarHBondContact O-CA 3.3Å; C188-G200 PolarHBondContact O-N 3.46Å; K198-G200 CarbonylContact C-O 3.54Å; K198-G200 PolarHBondContact N-O 3.42Å; K198-G200 PolarHBondContact O-N 2.93Å; K198-G200 VanDerWaalsContact O-N 3.16Å
201P94.2Very high91.7Very high15 Ų1556.8 Ų56.810%0.09733%0.327CS..  trans-69.4158179.230.3-38.8000112.4H189 N197 L203 V214 Y217 Y219H189-P201 PolarHBondContact ND1-O 2.9Å; N197-P201 WeakPolarHBondContact OD1-CA 3.3Å; P201-L203 PolarHBondContact O-N 3.35Å; P201-V214 HydrophobicContact CB-CB 4.06Å; P201-V214 HydrophobicContact CB-CG1 4.36Å; P201-V214 HydrophobicContact CB-CG2 4.01Å; P201-Y217 HydrophobicContact CB-CD1 4.06Å; P201-Y217 HydrophobicContact CB-CD2 4.12Å; P201-Y217 HydrophobicContact CB-CG 3.84Å; P201-Y217 HydrophobicContact CG-CD1 4.3Å; P201-Y217 HydrophobicContact CG-CE1 4.33Å; P201-Y217 HydrophobicContact CG-CG 4.5Å; P201-Y219 HydrophobicContact CB-CE1 4.38Å; P201-Y219 VanDerWaalsContact CB-OH 3.26Å; P201-Y219 WeakPolarHBondContact CB-OH 3.42Å; P201-Y219 HydrophobicContact CG-CE1 3.98Å
202N93.8Very high91.5Very high12 Ų1257.2 Ų57.26%0.06433%0.334CS..  trans-60.2131.8171-173.3-11.3000111.6T190 E192 G195 N197 H204 R209T190-N202 PolarHBondContact O-OD1 2.82Å; T190-N202 VanDerWaalsContact O-OD1 3.1Å; E192-N202 PolarHBondContact O-ND2 3.14Å; G195-N202 WeakPolarHBondContact CA-ND2 3.41Å; G195-N202 PolarHBondContact N-ND2 3.46Å; G195-N202 PolarHBondContact O-ND2 2.98Å; N197-N202 PolarHBondContact OD1-N 3.32Å; N202-H204 WeakPolarHBondContact OD1-CB 3.38Å; N202-H204 PolarHBondContact OD1-N 3Å; N202-R209 PolarHBondContact O-NH2 2.87Å
203L94.5Very high91.4Very high19 Ų1955 Ų5510%0.09932%0.324CS..  trans-96.8-1.3-178-61-179.7000114.1F181 H189 T190 P201 G205 I206 L269F181-L203 HydrophobicContact CE2-CD1 3.87Å; H189-L203 HydrophobicContact CB-CD1 3.49Å; H189-L203 VanDerWaalsContact CB-CD1 3.49Å; H189-L203 HydrophobicContact CB-CG 3.76Å; H189-L203 VanDerWaalsContact CG-CD1 3.44Å; T190-L203 PolarHBondContact O-N 3.43Å; P201-L203 PolarHBondContact O-N 3.35Å; L203-G205 PolarHBondContact O-N 3.04Å; L203-I206 HydrophobicContact CD2-CD1 3.6Å; L203-I206 WeakPolarHBondContact O-CB 3.37Å; L203-I206 VanDerWaalsContact O-CG2 3.31Å; L203-I206 WeakPolarHBondContact O-CG2 3.43Å; L203-I206 PolarHBondContact O-N 2.86Å; L203-L269 HydrophobicContact CB-CD2 4.21Å; L203-L269 HydrophobicContact CD1-CD2 4.41Å
204H93.4Very high91.4Very high53 Ų5347.1 Ų47.125%0.24529%0.29CS..THydrogen-bonded Turntrans-57.7133.6168.5-174.1-77.1000110V191 K193 N202 I206 R209 N272V191-H204 WeakPolarHBondContact O-CB 3.29Å; V191-H204 PolarHBondContact O-CD2 2.95Å; K193-H204 VanDerWaalsContact CA-CD2 3.5Å; K193-H204 WeakPolarHBondContact CA-CD2 3.46Å; K193-H204 PolarHBondContact N-CD2 3.23Å; K193-H204 VanDerWaalsContact N-CD2 3.3Å; N202-H204 WeakPolarHBondContact OD1-CB 3.38Å; N202-H204 PolarHBondContact OD1-N 3Å; H204-I206 VanDerWaalsContact C-N 3.27Å; H204-I206 PolarHBondContact O-N 2.95Å; H204-R209 PolarHBondContact O-NH1 2.81Å; H204-R209 VanDerWaalsContact O-NH1 3.1Å; H204-N272 PolarHBondContact CD2-O 3.26Å; H204-N272 VanDerWaalsContact CD2-O 3.31Å
205G91.5Very high91.5Very high18 Ų1848.9 Ų48.919%0.18629%0.288CS..THydrogen-bonded Turntrans62.430.1-178.100000113.8L203 R209 N272 S273L203-G205 PolarHBondContact O-N 3.04Å; G205-R209 WeakPolarHBondContact O-CB 3.25Å; G205-N272 PolarHBondContact N-O 3.12Å; G205-S273 VanDerWaalsContact CA-OXT 3.26Å; G205-S273 WeakPolarHBondContact CA-OXT 3.07Å
206I93.5Very high91.6Very high12 Ų1252.2 Ų52.26%0.06232%0.322CS..  trans-69.9-36.6178.7-172.2162.6000111.6L203 H204 G208 R209 W230 L235 L269L203-I206 HydrophobicContact CD2-CD1 3.6Å; L203-I206 WeakPolarHBondContact O-CB 3.37Å; L203-I206 VanDerWaalsContact O-CG2 3.31Å; L203-I206 WeakPolarHBondContact O-CG2 3.43Å; L203-I206 PolarHBondContact O-N 2.86Å; H204-I206 VanDerWaalsContact C-N 3.27Å; H204-I206 PolarHBondContact O-N 2.95Å; I206-G208 PolarHBondContact O-N 3.21Å; I206-R209 WeakPolarHBondContact O-CB 3.38Å; I206-R209 PolarHBondContact O-N 3.2Å; I206-R209 VanDerWaalsContact O-N 3.12Å; I206-W230 HydrophobicContact CD1-CG 4.31Å; I206-W230 HydrophobicContact CG1-CB 4.1Å; I206-W230 HydrophobicContact CG1-CG 3.88Å; I206-W230 VanDerWaalsContact O-CB 3.27Å; I206-W230 WeakPolarHBondContact O-CB 3.5Å; I206-L235 HydrophobicContact CD1-CD2 4.33Å; I206-L269 HydrophobicContact CG2-CB 4.28Å; I206-L269 HydrophobicContact CG2-CD1 4.45Å
207V91.9Very high91.6Very high46 Ų4650.1 Ų50.128%0.27930%0.303SS..THydrogen-bonded Turntrans-69.7126.1179.9-176.10000109.1R209 W230 L235 E270 S273V207-R209 VanDerWaalsContact C-N 3.35Å; V207-W230 CarbonylContact C-O 3.05Å; V207-L235 HydrophobicContact CG2-CD1 4.04Å; V207-E270 HydrophobicContact CG1-CG 4.41Å; V207-E270 HydrophobicContact CG2-CG 3.79Å; V207-S273 WeakPolarHBondContact CG2-OG 3.33Å; V207-S273 PolarHBondContact N-OG 2.9Å
208G89.9Confident91.6Very high55 Ų5552.8 Ų52.857%0.56732%0.317SS*.THydrogen-bonded Turntrans89.7-14.2-173.300000114.7I206 T229 W230I206-G208 PolarHBondContact O-N 3.21Å; G208-T229 VanDerWaalsContact O-CG2 3.31Å; G208-T229 WeakPolarHBondContact O-CG2 3.37Å; G208-W230 PolarHBondContact N-O 3.16Å
209R92.1Very high91.6Very high46 Ų4648.5 Ų48.517%0.17430%0.298CS..PPolyproline II helixtrans-81.7147179-168.517067.1-162.63.7111.4N202 H204 G205 I206 V207 Q213 V214 W230N202-R209 PolarHBondContact O-NH2 2.87Å; H204-R209 PolarHBondContact O-NH1 2.81Å; H204-R209 VanDerWaalsContact O-NH1 3.1Å; G205-R209 WeakPolarHBondContact O-CB 3.25Å; I206-R209 WeakPolarHBondContact O-CB 3.38Å; I206-R209 PolarHBondContact O-N 3.2Å; I206-R209 VanDerWaalsContact O-N 3.12Å; V207-R209 VanDerWaalsContact C-N 3.35Å; R209-Q213 HydrophobicContact CG-CB 4.09Å; R209-V214 VanDerWaalsContact NH1-CG2 3.31Å; R209-V214 VanDerWaalsContact NH2-CG2 3.26Å; R209-W230 VanDerWaalsContact O-CD1 3.27Å; R209-W230 PolarHBondContact O-N 3.18Å
210K92Very high91.6Very high107 Ų10744.1 Ų44.147%0.46527%0.271SS..BIsolated β-bridgetrans-79.9159.4172.3-56.8-176.5174.5-179.80111.7G212 Q213 I228K210-G212 PolarHBondContact O-N 3.47Å; K210-Q213 HydrophobicContact CB-CG 4.2Å; K210-Q213 VanDerWaalsContact N-OE1 3.13Å; K210-I228 CarbonylContact C-O 3.55Å; K210-I228 VanDerWaalsContact CA-O 3.29Å; K210-I228 WeakPolarHBondContact CA-O 3.15Å
211T91.7Very high91.5Very high10 Ų1049 Ų496%0.06130%0.303CS..THydrogen-bonded Turntrans-55.3133.3175.352.60000112N223 K226 G227 I228 W230T211-N223 VanDerWaalsContact CB-O 3.24Å; T211-N223 WeakPolarHBondContact CB-O 3.24Å; T211-N223 PolarHBondContact OG1-O 3.21Å; T211-K226 HydrophobicContact CG2-CB 4.38Å; T211-G227 PolarHBondContact OG1-N 3.48Å; T211-G227 VanDerWaalsContact OG1-N 3.15Å; T211-I228 HydrophobicContact CG2-CB 4.1Å; T211-I228 WeakPolarHBondContact CG2-O 3.07Å; T211-I228 PolarHBondContact N-O 3.41Å; T211-W230 HydrophobicContact CG2-CH2 4.33Å; T211-W230 HydrophobicContact CG2-CZ2 3.67Å
212G88.6Confident91.3Very high23 Ų2349.6 Ų49.624%0.23731%0.308CS..THydrogen-bonded Turntrans79.225.4168.500000117.1K210 Y219K210-G212 PolarHBondContact O-N 3.47Å; G212-Y219 WeakPolarHBondContact O-CD2 3.49Å
213Q88.8Confident91.2Very high104 Ų10450 Ų5049%0.48631%0.31SS..  trans-104.7-4.9-170.6-69.5-170.1-31.800116.9R209 K210 P215R209-Q213 HydrophobicContact CG-CB 4.09Å; K210-Q213 HydrophobicContact CB-CG 4.2Å; K210-Q213 VanDerWaalsContact N-OE1 3.13Å; Q213-P215 WeakPolarHBondContact O-CD 3.4Å
214V91Very high90.9Very high16 Ų1655 Ų5510%0.09733%0.332CS..  trans-69.2123.7-177.6179.40000110.6N197 P201 R209 Y219N197-V214 WeakPolarHBondContact OD1-CG1 3.36Å; P201-V214 HydrophobicContact CB-CB 4.06Å; P201-V214 HydrophobicContact CB-CG1 4.36Å; P201-V214 HydrophobicContact CB-CG2 4.01Å; R209-V214 VanDerWaalsContact NH1-CG2 3.31Å; R209-V214 VanDerWaalsContact NH2-CG2 3.26Å; V214-Y219 HydrophobicContact CB-CE2 4.21Å; V214-Y219 VanDerWaalsContact CB-OH 3.24Å; V214-Y219 WeakPolarHBondContact CB-OH 3.24Å; V214-Y219 VanDerWaalsContact CG2-OH 3.23Å; V214-Y219 WeakPolarHBondContact CG2-OH 3.42Å; V214-Y219 PolarHBondContact N-OH 3.02Å
215P88.9Confident90.8Very high114 Ų11457.2 Ų57.274%0.7435%0.353SS*.THydrogen-bonded Turntrans-59.2140.7175.7-23.334.4000111.7N197 Q213 Y217N197-P215 PolarHBondContact ND2-O 2.89Å; N197-P215 VanDerWaalsContact ND2-O 3.13Å; Q213-P215 WeakPolarHBondContact O-CD 3.4Å; P215-Y217 VanDerWaalsContact C-N 3.34Å; P215-Y217 PolarHBondContact O-N 3.22Å
216G89.8Confident90.7Very high84 Ų8460.3 Ų60.387%0.86636%0.361SS*.THydrogen-bonded Turntrans7610.5176.300000116.1
217Y91.6Very high90.5Very high46 Ų4662 Ų6218%0.1838%0.382CS..  trans-113.8131.9173.1-173.5-93000112.1N197 T199 P201 P215 Y219N197-Y217 HydrophobicContact CB-CD2 4.2Å; T199-Y217 PolarHBondContact O-OH 3.39Å; P201-Y217 HydrophobicContact CB-CD1 4.06Å; P201-Y217 HydrophobicContact CB-CD2 4.12Å; P201-Y217 HydrophobicContact CB-CG 3.84Å; P201-Y217 HydrophobicContact CG-CD1 4.3Å; P201-Y217 HydrophobicContact CG-CE1 4.33Å; P201-Y217 HydrophobicContact CG-CG 4.5Å; P215-Y217 VanDerWaalsContact C-N 3.34Å; P215-Y217 PolarHBondContact O-N 3.22Å; Y217-Y219 AromaticContact CD1-CD1 3.7Å; Y217-Y219 HydrophobicContact CD1-CD1 3.7Å; Y217-Y219 AromaticContact CD1-CD2 3.8Å; Y217-Y219 HydrophobicContact CD1-CD2 3.8Å; Y217-Y219 AromaticContact CD1-CE1 3.62Å; Y217-Y219 HydrophobicContact CD1-CE1 3.62Å; Y217-Y219 AromaticContact CD1-CE2 3.71Å; Y217-Y219 HydrophobicContact CD1-CE2 3.71Å; Y217-Y219 AromaticContact CD1-CG 3.8Å; Y217-Y219 HydrophobicContact CD1-CG 3.8Å; Y217-Y219 AromaticContact CD1-CZ 3.64Å; Y217-Y219 AromaticContact CE1-CD1 3.84Å; Y217-Y219 HydrophobicContact CE1-CD1 3.84Å; Y217-Y219 AromaticContact CE1-CE1 3.92Å; Y217-Y219 HydrophobicContact CE1-CE1 3.92Å; Y217-Y219 HydrophobicContact CE1-CG 4.25Å; Y217-Y219 HydrophobicContact CG-CE2 4.33Å; Y217-Y219 VanDerWaalsContact O-CD2 3.32Å; Y217-Y219 WeakPolarHBondContact O-CD2 3.44Å; Y217-Y219 PolarHBondContact O-N 3.26Å
218D91.3Very high90.5Very high107 Ų10761.5 Ų61.557%0.57238%0.377SS*.  trans-83.690.2-179.1-179.143.1000112.9K250D218-K250 PolarHBondContact O-NZ 3.37Å; D218-K250 IonicContact OD2-NZ 2.72Å; D218-K250 PolarHBondContact OD2-NZ 3.36Å
219Y91.3Very high90.6Very high18 Ų1861.8 Ų61.87%0.07137%0.368CS..  trans-76.6144.3177.4-68.7-79.8000113.8P201 G212 V214 Y217 N223 K224P201-Y219 HydrophobicContact CB-CE1 4.38Å; P201-Y219 VanDerWaalsContact CB-OH 3.26Å; P201-Y219 WeakPolarHBondContact CB-OH 3.42Å; P201-Y219 HydrophobicContact CG-CE1 3.98Å; G212-Y219 WeakPolarHBondContact O-CD2 3.49Å; V214-Y219 HydrophobicContact CB-CE2 4.21Å; V214-Y219 VanDerWaalsContact CB-OH 3.24Å; V214-Y219 WeakPolarHBondContact CB-OH 3.24Å; V214-Y219 VanDerWaalsContact CG2-OH 3.23Å; V214-Y219 WeakPolarHBondContact CG2-OH 3.42Å; V214-Y219 PolarHBondContact N-OH 3.02Å; Y217-Y219 AromaticContact CD1-CD1 3.7Å; Y217-Y219 HydrophobicContact CD1-CD1 3.7Å; Y217-Y219 AromaticContact CD1-CD2 3.8Å; Y217-Y219 HydrophobicContact CD1-CD2 3.8Å; Y217-Y219 AromaticContact CD1-CE1 3.62Å; Y217-Y219 HydrophobicContact CD1-CE1 3.62Å; Y217-Y219 AromaticContact CD1-CE2 3.71Å; Y217-Y219 HydrophobicContact CD1-CE2 3.71Å; Y217-Y219 AromaticContact CD1-CG 3.8Å; Y217-Y219 HydrophobicContact CD1-CG 3.8Å; Y217-Y219 AromaticContact CD1-CZ 3.64Å; Y217-Y219 AromaticContact CE1-CD1 3.84Å; Y217-Y219 HydrophobicContact CE1-CD1 3.84Å; Y217-Y219 AromaticContact CE1-CE1 3.92Å; Y217-Y219 HydrophobicContact CE1-CE1 3.92Å; Y217-Y219 HydrophobicContact CE1-CG 4.25Å; Y217-Y219 HydrophobicContact CG-CE2 4.33Å; Y217-Y219 VanDerWaalsContact O-CD2 3.32Å; Y217-Y219 WeakPolarHBondContact O-CD2 3.44Å; Y217-Y219 PolarHBondContact O-N 3.26Å; Y219-N223 HydrophobicContact CD1-CB 4.16Å; Y219-K224 WeakPolarHBondContact O-CE 3.46Å
220T91.8Very high90.7Very high17 Ų1760.6 Ų60.610%0.10436%0.363CS..  trans-65154.5171.158.20000112.1A222 N223 K224 G248 K250T220-A222 PolarHBondContact O-N 3.48Å; T220-N223 PolarHBondContact O-N 2.74Å; T220-N223 PolarHBondContact OG1-N 3.28Å; T220-K224 PolarHBondContact O-N 3.15Å; T220-K224 VanDerWaalsContact O-N 3.11Å; T220-G248 WeakPolarHBondContact CB-O 3.29Å; T220-G248 WeakPolarHBondContact CG2-O 3.42Å; T220-G248 PolarHBondContact OG1-O 3.03Å; T220-G248 VanDerWaalsContact OG1-O 3.11Å; T220-K250 HydrophobicContact CG2-CB 4.23Å; T220-K250 HydrophobicContact CG2-CD 3.73Å; T220-K250 HydrophobicContact CG2-CG 3.48Å; T220-K250 VanDerWaalsContact CG2-CG 3.48Å
221P90.2Very high90.7Very high108 Ų10858.7 Ų58.770%0.70136%0.358SS*.Hα-helixtrans-53.2-39.9174.1-26.634.7000112.4N223 K224 S225P221-N223 PolarHBondContact O-N 3.4Å; P221-K224 PolarHBondContact O-N 3.09Å; P221-S225 WeakPolarHBondContact O-CB 2.89Å; P221-S225 PolarHBondContact O-N 2.91Å; P221-S225 PolarHBondContact O-OG 3.35Å; P221-S225 VanDerWaalsContact O-OG 3.08Å
222A90.5Very high90.6Very high26 Ų2662.8 Ų62.822%0.21537%0.372CS..Hα-helixtrans-61.8-39.3177.200000113.5T220 S225 K226 I246 P247T220-A222 PolarHBondContact O-N 3.48Å; A222-S225 PolarHBondContact O-OG 2.7Å; A222-K226 PolarHBondContact O-N 3.46Å; A222-I246 HydrophobicContact CB-CG2 3.98Å; A222-P247 WeakPolarHBondContact CB-O 3.46Å
223N90.1Very high90.7Very high20 Ų2066.9 Ų66.911%0.10739%0.385CS..Hα-helixtrans-71.5-34.1176.3-85.618.5000111.8T211 Y219 T220 P221 I246 T249T211-N223 VanDerWaalsContact CB-O 3.24Å; T211-N223 WeakPolarHBondContact CB-O 3.24Å; T211-N223 PolarHBondContact OG1-O 3.21Å; Y219-N223 HydrophobicContact CD1-CB 4.16Å; T220-N223 PolarHBondContact O-N 2.74Å; T220-N223 PolarHBondContact OG1-N 3.28Å; P221-N223 PolarHBondContact O-N 3.4Å; N223-I246 WeakPolarHBondContact OD1-CG2 3.35Å; N223-T249 PolarHBondContact ND2-OG1 3Å; N223-T249 WeakPolarHBondContact OD1-CB 3.13Å; N223-T249 PolarHBondContact OD1-OG1 2.87Å
224K89.6Confident90.9Very high126 Ų12663 Ų6355%0.54837%0.369SS..Hα-helixtrans-72.6-39.9177.6-66.9179.9-176.9174.90111.7Y219 T220 P221Y219-K224 WeakPolarHBondContact O-CE 3.46Å; T220-K224 PolarHBondContact O-N 3.15Å; T220-K224 VanDerWaalsContact O-N 3.11Å; P221-K224 PolarHBondContact O-N 3.09Å
225S90.3Very high91Very high98 Ų9862.4 Ų62.469%0.68537%0.365SS*.Hα-helixtrans-79.7-21.8-175.865.40000114.8P221 A222 G227P221-S225 WeakPolarHBondContact O-CB 2.89Å; P221-S225 PolarHBondContact O-N 2.91Å; P221-S225 PolarHBondContact O-OG 3.35Å; P221-S225 VanDerWaalsContact O-OG 3.08Å; A222-S225 PolarHBondContact O-OG 2.7Å; S225-G227 PolarHBondContact O-N 3.49Å
226K90.4Very high91.2Very high83 Ų8358.2 Ų58.236%0.36134%0.335SS..THydrogen-bonded Turntrans-57.2-33.3-177.4-167.973.9-174.6-165.10113.1T211 A222 I228 Y245 I246T211-K226 HydrophobicContact CG2-CB 4.38Å; A222-K226 PolarHBondContact O-N 3.46Å; K226-I228 HydrophobicContact CD-CD1 4.05Å; K226-I228 HydrophobicContact CG-CB 4.45Å; K226-I228 HydrophobicContact CG-CD1 3.61Å; K226-I228 HydrophobicContact CG-CG1 3.92Å; K226-I228 PolarHBondContact O-N 3.17Å; K226-I228 VanDerWaalsContact O-N 3.12Å; K226-Y245 PolarHBondContact NZ-O 3.31Å; K226-I246 HydrophobicContact CB-CD1 4.4Å; K226-I246 HydrophobicContact CD-CG1 4.24Å; K226-I246 HydrophobicContact CG-CD1 4.17Å; K226-I246 HydrophobicContact CG-CG1 4.18Å
227G88.8Confident91.3Very high48 Ų4858.4 Ų58.450%0.49531%0.314SS..  trans65.513.7170.400000116.4T211 S225T211-G227 PolarHBondContact OG1-N 3.48Å; T211-G227 VanDerWaalsContact OG1-N 3.15Å; S225-G227 PolarHBondContact O-N 3.49Å
228I91.3Very high91.4Very high35 Ų3557.2 Ų57.218%0.17931%0.309CS..  trans-83.6143.4-176-68.8173000110.6K210 T211 K226 T234 Y245K210-I228 CarbonylContact C-O 3.55Å; K210-I228 VanDerWaalsContact CA-O 3.29Å; K210-I228 WeakPolarHBondContact CA-O 3.15Å; T211-I228 HydrophobicContact CG2-CB 4.1Å; T211-I228 WeakPolarHBondContact CG2-O 3.07Å; T211-I228 PolarHBondContact N-O 3.41Å; K226-I228 HydrophobicContact CD-CD1 4.05Å; K226-I228 HydrophobicContact CG-CB 4.45Å; K226-I228 HydrophobicContact CG-CD1 3.61Å; K226-I228 HydrophobicContact CG-CG1 3.92Å; K226-I228 PolarHBondContact O-N 3.17Å; K226-I228 VanDerWaalsContact O-N 3.12Å; I228-T234 HydrophobicContact CG2-CG2 3.59Å; I228-Y245 HydrophobicContact CD1-CE1 3.77Å
229T93.3Very high91.6Very high62 Ų6252.6 Ų52.638%0.3828%0.284SS..BIsolated β-bridgetrans-86.5126.1166.5-52.60000109.6G208 N231 T234G208-T229 VanDerWaalsContact O-CG2 3.31Å; G208-T229 WeakPolarHBondContact O-CG2 3.37Å; T229-N231 PolarHBondContact O-N 2.99Å; T229-T234 PolarHBondContact O-OG1 2.99Å
230W94.1Very high91.7Very high20 Ų2056.4 Ų56.48%0.07630%0.301CS..  trans-69.5113.8176.3-66.3119.3000110.3I206 V207 G208 R209 T211 L235 Y238 I246I206-W230 HydrophobicContact CD1-CG 4.31Å; I206-W230 HydrophobicContact CG1-CB 4.1Å; I206-W230 HydrophobicContact CG1-CG 3.88Å; I206-W230 VanDerWaalsContact O-CB 3.27Å; I206-W230 WeakPolarHBondContact O-CB 3.5Å; V207-W230 CarbonylContact C-O 3.05Å; G208-W230 PolarHBondContact N-O 3.16Å; R209-W230 VanDerWaalsContact O-CD1 3.27Å; R209-W230 PolarHBondContact O-N 3.18Å; T211-W230 HydrophobicContact CG2-CH2 4.33Å; T211-W230 HydrophobicContact CG2-CZ2 3.67Å; W230-L235 HydrophobicContact CB-CD1 4.45Å; W230-L235 HydrophobicContact CB-CD2 4.41Å; W230-L235 HydrophobicContact CB-CG 4.26Å; W230-L235 HydrophobicContact CD2-CD2 3.97Å; W230-L235 HydrophobicContact CD2-CG 4.49Å; W230-L235 HydrophobicContact CE3-CD2 3.56Å; W230-L235 HydrophobicContact CE3-CG 3.92Å; W230-L235 HydrophobicContact CG-CD2 4.36Å; W230-L235 HydrophobicContact CZ3-CD2 4.14Å; W230-Y238 AromaticContact CH2-CD1 3.63Å; W230-Y238 HydrophobicContact CH2-CD1 3.63Å; W230-Y238 AromaticContact CH2-CD2 3.72Å; W230-Y238 HydrophobicContact CH2-CD2 3.72Å; W230-Y238 AromaticContact CH2-CE1 3.94Å; W230-Y238 HydrophobicContact CH2-CE1 3.94Å; W230-Y238 HydrophobicContact CH2-CE2 4.03Å; W230-Y238 AromaticContact CH2-CG 3.5Å; W230-Y238 HydrophobicContact CH2-CG 3.5Å; W230-Y238 HydrophobicContact CZ2-CE1 4.49Å; W230-Y238 AromaticContact CZ3-CD1 3.87Å; W230-Y238 HydrophobicContact CZ3-CD1 3.87Å; W230-Y238 HydrophobicContact CZ3-CD2 4.21Å; W230-Y238 AromaticContact CZ3-CG 3.64Å; W230-Y238 HydrophobicContact CZ3-CG 3.64Å; W230-I246 HydrophobicContact CH2-CD1 4.32Å
231N91.5Very high91.8Very high67 Ų6759.1 Ų59.136%0.35832%0.315SS..  trans-130.6175.3171.963.723.9000108.3T229 E233 T234 L235T229-N231 PolarHBondContact O-N 2.99Å; N231-E233 PolarHBondContact O-N 3.02Å; N231-E233 VanDerWaalsContact O-N 3.14Å; N231-E233 PolarHBondContact OD1-N 3.14Å; N231-T234 PolarHBondContact N-OG1 3.48Å; N231-T234 PolarHBondContact O-N 2.96Å; N231-T234 PolarHBondContact O-OG1 3.42Å; N231-T234 VanDerWaalsContact O-OG1 3.06Å; N231-T234 WeakPolarHBondContact OD1-CB 2.76Å; N231-T234 WeakPolarHBondContact OD1-CG2 3.41Å; N231-T234 PolarHBondContact OD1-N 2.76Å; N231-T234 PolarHBondContact OD1-OG1 3.38Å; N231-L235 WeakPolarHBondContact O-CB 3.29Å; N231-L235 WeakPolarHBondContact O-CG 3.44Å; N231-L235 PolarHBondContact O-N 3.5Å
232R89.3Confident92Very high96 Ų9654 Ų5436%0.36228%0.282SS..Hα-helixtrans-51.7-40.9-178.6-175.8175.4-73.4-175-4.9112.7R170 F236 I266 E270R170-R232 PolarHBondContact O-NH1 3.43Å; R232-F236 WeakPolarHBondContact O-CB 3.19Å; R232-F236 PolarHBondContact O-N 2.87Å; R232-I266 HydrophobicContact CB-CG2 4.35Å; R232-I266 HydrophobicContact CG-CG2 3.99Å; R232-E270 IonicContact CZ-OE1 2.7Å; R232-E270 IonicContact CZ-OE2 3.33Å; R232-E270 IonicContact NE-OE1 2.65Å; R232-E270 PolarHBondContact NE-OE1 2.86Å; R232-E270 IonicContact NE-OE2 2.99Å; R232-E270 IonicContact NH2-OE1 3.51Å; R232-E270 PolarHBondContact NH2-OE1 3.28Å; R232-E270 IonicContact NH2-OE2 2.73Å; R232-E270 PolarHBondContact NH2-OE2 3.27Å
233E90.3Very high92.1Very high109 Ų10960.3 Ų60.351%0.50931%0.305SS..Hα-helixtrans-74.2-45-175.5-55.5-169.6142.800112.7R170 N231 F236 E237R170-E233 IonicContact CZ-OE1 3.89Å; R170-E233 IonicContact NH1-OE1 3.02Å; R170-E233 PolarHBondContact NH1-OE1 2.99Å; R170-E233 IonicContact NH2-OE1 3.84Å; R170-E233 PolarHBondContact NH2-OE1 3.31Å; N231-E233 PolarHBondContact O-N 3.02Å; N231-E233 VanDerWaalsContact O-N 3.14Å; N231-E233 PolarHBondContact OD1-N 3.14Å; E233-F236 PolarHBondContact O-N 2.79Å; E233-E237 PolarHBondContact O-N 2.99Å; E233-E237 VanDerWaalsContact O-N 3.11Å
234T92.7Very high92.2Very high22 Ų2262.6 Ų62.614%0.13533%0.326CS..Hα-helixtrans-68.5-38.4178.752.10000111.5I228 T229 N231 E237 Y238I228-T234 HydrophobicContact CG2-CG2 3.59Å; T229-T234 PolarHBondContact O-OG1 2.99Å; N231-T234 PolarHBondContact N-OG1 3.48Å; N231-T234 PolarHBondContact O-N 2.96Å; N231-T234 PolarHBondContact O-OG1 3.42Å; N231-T234 VanDerWaalsContact O-OG1 3.06Å; N231-T234 WeakPolarHBondContact OD1-CB 2.76Å; N231-T234 WeakPolarHBondContact OD1-CG2 3.41Å; N231-T234 PolarHBondContact OD1-N 2.76Å; N231-T234 PolarHBondContact OD1-OG1 3.38Å; T234-E237 PolarHBondContact O-N 2.64Å; T234-Y238 VanDerWaalsContact O-CB 3.22Å; T234-Y238 WeakPolarHBondContact O-CB 3.31Å; T234-Y238 PolarHBondContact O-N 2.64Å
235L93.2Very high92.3Very high4 Ų459 Ų592%0.02131%0.309CS..Hα-helixtrans-65-39.6171.5-75.3169.5000111.6I206 V207 W230 N231 E237 Y238 L239 I266I206-L235 HydrophobicContact CD1-CD2 4.33Å; V207-L235 HydrophobicContact CG2-CD1 4.04Å; W230-L235 HydrophobicContact CB-CD1 4.45Å; W230-L235 HydrophobicContact CB-CD2 4.41Å; W230-L235 HydrophobicContact CB-CG 4.26Å; W230-L235 HydrophobicContact CD2-CD2 3.97Å; W230-L235 HydrophobicContact CD2-CG 4.49Å; W230-L235 HydrophobicContact CE3-CD2 3.56Å; W230-L235 HydrophobicContact CE3-CG 3.92Å; W230-L235 HydrophobicContact CG-CD2 4.36Å; W230-L235 HydrophobicContact CZ3-CD2 4.14Å; N231-L235 WeakPolarHBondContact O-CB 3.29Å; N231-L235 WeakPolarHBondContact O-CG 3.44Å; N231-L235 PolarHBondContact O-N 3.5Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-E237 PolarHBondContact O-N 2.9Å; L235-Y238 PolarHBondContact O-N 2.91Å; L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.23Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.5Å; L235-L239 PolarHBondContact O-N 3.23Å; L235-I266 HydrophobicContact CB-CD1 3.89Å; L235-I266 HydrophobicContact CB-CG1 3.99Å
236F93Very high92.4Very high27 Ų2754.5 Ų54.512%0.11828%0.277CS..Hα-helixtrans-63.5-37.5179.4-164-95.1000112.5R232 E233 E259 R262 A263 I266R232-F236 WeakPolarHBondContact O-CB 3.19Å; R232-F236 PolarHBondContact O-N 2.87Å; E233-F236 PolarHBondContact O-N 2.79Å; F236-E259 HydrophobicContact CE1-CG 4.19Å; F236-E259 WeakPolarHBondContact CE2-O 3.48Å; F236-E259 HydrophobicContact CZ-CB 3.82Å; F236-E259 HydrophobicContact CZ-CG 3.78Å; F236-R262 VanDerWaalsContact CD1-NH1 3.35Å; F236-R262 HydrophobicContact CD2-CB 3.73Å; F236-R262 VanDerWaalsContact CE1-NH1 3.32Å; F236-R262 HydrophobicContact CE2-CB 3.65Å; F236-R262 HydrophobicContact CZ-CB 4.38Å; F236-R262 VanDerWaalsContact O-CD 3.31Å; F236-R262 WeakPolarHBondContact O-CD 2.98Å; F236-R262 PolarHBondContact O-NH1 2.89Å; F236-A263 HydrophobicContact CE2-CB 4.2Å; F236-I266 HydrophobicContact CB-CD1 3.77Å; F236-I266 HydrophobicContact CD2-CD1 3.87Å; F236-I266 HydrophobicContact CG-CD1 4.33Å
237E92.1Very high92.5Very high88 Ų8855 Ų5541%0.41129%0.289SS..Hα-helixtrans-78.2-40.9174.8-16458.7-153.600112E233 T234 L235 L239 K240 Y245E233-E237 PolarHBondContact O-N 2.99Å; E233-E237 VanDerWaalsContact O-N 3.11Å; T234-E237 PolarHBondContact O-N 2.64Å; L235-E237 VanDerWaalsContact C-N 3.32Å; L235-E237 PolarHBondContact O-N 2.9Å; E237-L239 PolarHBondContact O-N 3.26Å; E237-K240 VanDerWaalsContact O-CB 3.25Å; E237-K240 WeakPolarHBondContact O-CB 3.26Å; E237-K240 PolarHBondContact O-N 3.25Å; E237-Y245 HydrophobicContact CB-CD2 4.15Å; E237-Y245 HydrophobicContact CB-CE2 3.82Å; E237-Y245 HydrophobicContact CG-CD2 3.75Å; E237-Y245 HydrophobicContact CG-CE2 3.68Å
238Y94.2Very high92.5Very high20 Ų2055.3 Ų55.38%0.07829%0.293CS..Hα-helixtrans-60.6-46.2178179.5-111.4000112.5W230 T234 L235 K240 N241 P242 Y245 I246 M251W230-Y238 AromaticContact CH2-CD1 3.63Å; W230-Y238 HydrophobicContact CH2-CD1 3.63Å; W230-Y238 AromaticContact CH2-CD2 3.72Å; W230-Y238 HydrophobicContact CH2-CD2 3.72Å; W230-Y238 AromaticContact CH2-CE1 3.94Å; W230-Y238 HydrophobicContact CH2-CE1 3.94Å; W230-Y238 HydrophobicContact CH2-CE2 4.03Å; W230-Y238 AromaticContact CH2-CG 3.5Å; W230-Y238 HydrophobicContact CH2-CG 3.5Å; W230-Y238 HydrophobicContact CZ2-CE1 4.49Å; W230-Y238 AromaticContact CZ3-CD1 3.87Å; W230-Y238 HydrophobicContact CZ3-CD1 3.87Å; W230-Y238 HydrophobicContact CZ3-CD2 4.21Å; W230-Y238 AromaticContact CZ3-CG 3.64Å; W230-Y238 HydrophobicContact CZ3-CG 3.64Å; T234-Y238 VanDerWaalsContact O-CB 3.22Å; T234-Y238 WeakPolarHBondContact O-CB 3.31Å; T234-Y238 PolarHBondContact O-N 2.64Å; L235-Y238 PolarHBondContact O-N 2.91Å; Y238-K240 PolarHBondContact O-N 2.81Å; Y238-N241 CarbonylContact O-C 3.55Å; Y238-N241 VanDerWaalsContact O-C 3.28Å; Y238-N241 PolarHBondContact O-N 2.99Å; Y238-P242 HydrophobicContact CD2-CB 4.23Å; Y238-P242 HydrophobicContact CE1-CB 4.29Å; Y238-P242 HydrophobicContact CE1-CG 4.39Å; Y238-P242 HydrophobicContact CE2-CB 3.67Å; Y238-P242 HydrophobicContact CE2-CG 4.47Å; Y238-P242 WeakPolarHBondContact O-CA 3.46Å; Y238-P242 WeakPolarHBondContact O-CD 3.2Å; Y238-P242 WeakPolarHBondContact O-CG 3.41Å; Y238-Y245 AromaticContact CD2-CD1 3.65Å; Y238-Y245 HydrophobicContact CD2-CD1 3.65Å; Y238-Y245 HydrophobicContact CD2-CG 4.09Å; Y238-Y245 HydrophobicContact CG-CD1 4.33Å; Y238-I246 HydrophobicContact CD2-CD1 4.34Å; Y238-I246 HydrophobicContact CD2-CG1 4.3Å; Y238-I246 HydrophobicContact CE2-CD1 3.86Å; Y238-I246 HydrophobicContact CE2-CG1 3.99Å; Y238-M251 HydrophobicContact CE1-SD 3.78Å; Y238-M251 PolarHBondContact OH-SD 3.48Å; Y238-M251 VanDerWaalsContact OH-SD 3.32Å
239L94.5Very high92.5Very high11 Ų1154.7 Ų54.76%0.05829%0.291CS..THydrogen-bonded Turntrans-66.4-17.6-179.7-70.9170.8000113.2L235 E237 G255 L256 R262 L265 I266L235-L239 VanDerWaalsContact O-CB 3.29Å; L235-L239 WeakPolarHBondContact O-CB 3.23Å; L235-L239 VanDerWaalsContact O-CG 3.22Å; L235-L239 WeakPolarHBondContact O-CG 3.5Å; L235-L239 PolarHBondContact O-N 3.23Å; E237-L239 PolarHBondContact O-N 3.26Å; L239-G255 CarbonylContact O-C 3.5Å; L239-G255 VanDerWaalsContact O-CA 3.24Å; L239-G255 WeakPolarHBondContact O-CA 3.45Å; L239-L256 PolarHBondContact O-N 2.94Å; L239-R262 HydrophobicContact CB-CG 4.1Å; L239-L265 HydrophobicContact CD1-CD2 4Å; L239-L265 HydrophobicContact CD2-CD2 4.08Å; L239-I266 HydrophobicContact CD1-CD1 4.13Å; L239-I266 HydrophobicContact CD1-CG1 3.74Å
240K94.2Very high92.3Very high98 Ų9856.7 Ų56.743%0.42629%0.294SS..THydrogen-bonded Turntrans-68.9-42.5175.5-168.1-176.9176-1770111.6E237 Y238 G255E237-K240 VanDerWaalsContact O-CB 3.25Å; E237-K240 WeakPolarHBondContact O-CB 3.26Å; E237-K240 PolarHBondContact O-N 3.25Å; Y238-K240 PolarHBondContact O-N 2.81Å; K240-G255 WeakPolarHBondContact O-CA 3.41Å
241N93.3Very high92.2Very high74 Ų7458.2 Ų58.240%0.39630%0.303SS..  trans-162.289.8177.7-171.6-19.2000110.8Y238 K243 A244 Y245Y238-N241 CarbonylContact O-C 3.55Å; Y238-N241 VanDerWaalsContact O-C 3.28Å; Y238-N241 PolarHBondContact O-N 2.99Å; N241-K243 VanDerWaalsContact C-N 3.29Å; N241-K243 PolarHBondContact O-N 3.34Å; N241-K243 PolarHBondContact OD1-N 2.84Å; N241-A244 HydrophobicContact CB-CB 4.01Å; N241-A244 VanDerWaalsContact CG-CB 3.48Å; N241-A244 PolarHBondContact O-N 3Å; N241-A244 PolarHBondContact OD1-N 3.23Å; N241-A244 VanDerWaalsContact OD1-N 3.14Å; N241-Y245 PolarHBondContact O-N 3.17Å
242P94.3Very high92.1Very high0 Ų063.5 Ų63.50%033%0.329CS..Hα-helixtrans-58.2-38-177.5-30.437.9000114Y238 Y245 I246 T249 M251 F253Y238-P242 HydrophobicContact CD2-CB 4.23Å; Y238-P242 HydrophobicContact CE1-CB 4.29Å; Y238-P242 HydrophobicContact CE1-CG 4.39Å; Y238-P242 HydrophobicContact CE2-CB 3.67Å; Y238-P242 HydrophobicContact CE2-CG 4.47Å; Y238-P242 WeakPolarHBondContact O-CA 3.46Å; Y238-P242 WeakPolarHBondContact O-CD 3.2Å; Y238-P242 WeakPolarHBondContact O-CG 3.41Å; P242-Y245 PolarHBondContact O-N 3.43Å; P242-I246 PolarHBondContact O-N 2.96Å; P242-T249 HydrophobicContact CB-CG2 4.47Å; P242-M251 HydrophobicContact CB-SD 4.01Å; P242-M251 HydrophobicContact CG-CE 4.45Å; P242-M251 HydrophobicContact CG-SD 3.94Å; P242-F253 HydrophobicContact CG-CB 4.31Å; P242-F253 HydrophobicContact CG-CD1 3.96Å
243K92.5Very high92.3Very high159 Ų15960.7 Ų60.769%0.69132%0.319SS*.Hα-helixtrans-66.4-36.9-179.4-176.8176.6177.1178.50112.2N241 I246 P247N241-K243 VanDerWaalsContact C-N 3.29Å; N241-K243 PolarHBondContact O-N 3.34Å; N241-K243 PolarHBondContact OD1-N 2.84Å; K243-I246 CarbonylContact O-C 3.56Å; K243-P247 WeakPolarHBondContact O-CA 3.35Å
244A92.7Very high92.3Very high67 Ų6760 Ų6055%0.55433%0.332SS*.Hα-helixtrans-75.8-36.3175.600000112.2N241N241-A244 HydrophobicContact CB-CB 4.01Å; N241-A244 VanDerWaalsContact CG-CB 3.48Å; N241-A244 PolarHBondContact O-N 3Å; N241-A244 PolarHBondContact OD1-N 3.23Å; N241-A244 VanDerWaalsContact OD1-N 3.14Å
245Y92.9Very high92.3Very high52 Ų5259.6 Ų59.620%0.20433%0.333CS..Hα-helixtrans-74.7-39.1-177.3-165-94.2000113.1K226 I228 E237 Y238 N241 P242K226-Y245 PolarHBondContact NZ-O 3.31Å; I228-Y245 HydrophobicContact CD1-CE1 3.77Å; E237-Y245 HydrophobicContact CB-CD2 4.15Å; E237-Y245 HydrophobicContact CB-CE2 3.82Å; E237-Y245 HydrophobicContact CG-CD2 3.75Å; E237-Y245 HydrophobicContact CG-CE2 3.68Å; Y238-Y245 AromaticContact CD2-CD1 3.65Å; Y238-Y245 HydrophobicContact CD2-CD1 3.65Å; Y238-Y245 HydrophobicContact CD2-CG 4.09Å; Y238-Y245 HydrophobicContact CG-CD1 4.33Å; N241-Y245 PolarHBondContact O-N 3.17Å; P242-Y245 PolarHBondContact O-N 3.43Å
246I91.9Very high92.3Very high2 Ų260 Ų601%0.0134%0.335CS..SBendtrans-126.690.9170.9-48.6-178.2000109.1A222 N223 K226 W230 Y238 P242 K243 G248 T249A222-I246 HydrophobicContact CB-CG2 3.98Å; N223-I246 WeakPolarHBondContact OD1-CG2 3.35Å; K226-I246 HydrophobicContact CB-CD1 4.4Å; K226-I246 HydrophobicContact CD-CG1 4.24Å; K226-I246 HydrophobicContact CG-CD1 4.17Å; K226-I246 HydrophobicContact CG-CG1 4.18Å; W230-I246 HydrophobicContact CH2-CD1 4.32Å; Y238-I246 HydrophobicContact CD2-CD1 4.34Å; Y238-I246 HydrophobicContact CD2-CG1 4.3Å; Y238-I246 HydrophobicContact CE2-CD1 3.86Å; Y238-I246 HydrophobicContact CE2-CG1 3.99Å; P242-I246 PolarHBondContact O-N 2.96Å; K243-I246 CarbonylContact O-C 3.56Å; I246-G248 PolarHBondContact O-N 3.49Å; I246-T249 WeakPolarHBondContact O-CB 3.19Å; I246-T249 WeakPolarHBondContact O-CG2 3.48Å; I246-T249 PolarHBondContact O-N 2.81Å; I246-T249 VanDerWaalsContact O-N 3.14Å
247P91.8Very high92.2Very high93 Ų9367.6 Ų67.660%0.60437%0.368SS*.THydrogen-bonded Turntrans-57.2128173-24.134.8000110.7A222 K243A222-P247 WeakPolarHBondContact CB-O 3.46Å; K243-P247 WeakPolarHBondContact O-CA 3.35Å
248G89.4Confident92.2Very high56 Ų5669.9 Ų69.958%0.57738%0.376SS*.THydrogen-bonded Turntrans86.115.8-176.200000115.1T220 I246T220-G248 WeakPolarHBondContact CB-O 3.29Å; T220-G248 WeakPolarHBondContact CG2-O 3.42Å; T220-G248 PolarHBondContact OG1-O 3.03Å; T220-G248 VanDerWaalsContact OG1-O 3.11Å; I246-G248 PolarHBondContact O-N 3.49Å
249T90.9Very high92Very high22 Ų2273.9 Ų73.914%0.13540%0.396CS..  trans-71.2143.1170.8-160.60000112.1N223 P242 I246 M251N223-T249 PolarHBondContact ND2-OG1 3Å; N223-T249 WeakPolarHBondContact OD1-CB 3.13Å; N223-T249 PolarHBondContact OD1-OG1 2.87Å; P242-T249 HydrophobicContact CB-CG2 4.47Å; I246-T249 WeakPolarHBondContact O-CB 3.19Å; I246-T249 WeakPolarHBondContact O-CG2 3.48Å; I246-T249 PolarHBondContact O-N 2.81Å; I246-T249 VanDerWaalsContact O-N 3.14Å; T249-M251 HydrophobicContact CG2-CB 4.2Å; T249-M251 PolarHBondContact O-N 2.83Å
250K90Very high91.8Very high104 Ų10476.4 Ų76.445%0.45241%0.412SS..SBendtrans-72.8-10.3173.1-85.6169.2-171.9-177.30113D218 T220 I252D218-K250 PolarHBondContact O-NZ 3.37Å; D218-K250 IonicContact OD2-NZ 2.72Å; D218-K250 PolarHBondContact OD2-NZ 3.36Å; T220-K250 HydrophobicContact CG2-CB 4.23Å; T220-K250 HydrophobicContact CG2-CD 3.73Å; T220-K250 HydrophobicContact CG2-CG 3.48Å; T220-K250 VanDerWaalsContact CG2-CG 3.48Å; K250-I252 PolarHBondContact O-N 2.9Å; K250-I252 VanDerWaalsContact O-N 3.17Å
251M92.1Very high91.7Very high52 Ų5273.6 Ų73.626%0.25640%0.401SS..  trans-75.6103.5-179-172.4-174.5-175.300111.2Y238 P242 T249 F253Y238-M251 HydrophobicContact CE1-SD 3.78Å; Y238-M251 PolarHBondContact OH-SD 3.48Å; Y238-M251 VanDerWaalsContact OH-SD 3.32Å; P242-M251 HydrophobicContact CB-SD 4.01Å; P242-M251 HydrophobicContact CG-CE 4.45Å; P242-M251 HydrophobicContact CG-SD 3.94Å; T249-M251 HydrophobicContact CG2-CB 4.2Å; T249-M251 PolarHBondContact O-N 2.83Å; M251-F253 HydrophobicContact CE-CB 3.71Å; M251-F253 HydrophobicContact CE-CD1 3.96Å; M251-F253 HydrophobicContact CE-CG 3.94Å; M251-F253 HydrophobicContact CG-CB 4.03Å; M251-F253 PolarHBondContact O-N 3.38Å; M251-F253 VanDerWaalsContact O-N 3.14Å; M251-F253 HydrophobicContact SD-CB 4.34Å
252I89.1Confident91.8Very high177 Ų17770.4 Ų70.491%0.90838%0.384SS*.  trans-84.981175.2-52.9174.5000109K250K250-I252 PolarHBondContact O-N 2.9Å; K250-I252 VanDerWaalsContact O-N 3.17Å
253F92.7Very high91.7Very high37 Ų3770.6 Ų70.616%0.16239%0.385CS..  trans-132.1131.1178.2-176.9-118.7000111.3R184 P242 M251 G255 L256R184-F253 HydrophobicContact CB-CE2 4.18Å; P242-F253 HydrophobicContact CG-CB 4.31Å; P242-F253 HydrophobicContact CG-CD1 3.96Å; M251-F253 HydrophobicContact CE-CB 3.71Å; M251-F253 HydrophobicContact CE-CD1 3.96Å; M251-F253 HydrophobicContact CE-CG 3.94Å; M251-F253 HydrophobicContact CG-CB 4.03Å; M251-F253 PolarHBondContact O-N 3.38Å; M251-F253 VanDerWaalsContact O-N 3.14Å; M251-F253 HydrophobicContact SD-CB 4.34Å; F253-G255 VanDerWaalsContact CD1-N 3.34Å; F253-G255 PolarHBondContact O-N 2.91Å; F253-L256 HydrophobicContact CE1-CG 4.06Å; F253-L256 HydrophobicContact CZ-CD2 3.98Å; F253-L256 HydrophobicContact CZ-CG 3.86Å
254A90.9Very high91.7Very high94 Ų9464 Ų6478%0.77736%0.357SS*.  trans-68.2-16.7-177.800000113.9
255G92.8Very high91.8Very high14 Ų1460.8 Ų60.814%0.14433%0.331CS..  trans89.8155.6-176.500000113.8L239 K240 F253L239-G255 CarbonylContact O-C 3.5Å; L239-G255 VanDerWaalsContact O-CA 3.24Å; L239-G255 WeakPolarHBondContact O-CA 3.45Å; K240-G255 WeakPolarHBondContact O-CA 3.41Å; F253-G255 VanDerWaalsContact CD1-N 3.34Å; F253-G255 PolarHBondContact O-N 2.91Å
256L92.8Very high91.9Very high12 Ų1258.4 Ų58.46%0.06332%0.322CS..  trans-96.2104.4174.2-67.1176.5000109.3L239 F253 D261 R262 L265L239-L256 PolarHBondContact O-N 2.94Å; F253-L256 HydrophobicContact CE1-CG 4.06Å; F253-L256 HydrophobicContact CZ-CD2 3.98Å; F253-L256 HydrophobicContact CZ-CG 3.86Å; L256-D261 HydrophobicContact CD1-CB 4.39Å; L256-D261 HydrophobicContact CD2-CB 4.48Å; L256-R262 HydrophobicContact CB-CG 3.51Å; L256-R262 HydrophobicContact CD1-CG 4.2Å; L256-R262 HydrophobicContact CG-CG 4.49Å; L256-R262 WeakPolarHBondContact O-CD 3.39Å; L256-R262 WeakPolarHBondContact O-CG 3.35Å; L256-R262 PolarHBondContact O-NE 3.35Å; L256-R262 VanDerWaalsContact O-NE 3.08Å; L256-L265 HydrophobicContact CD1-CB 4.41Å; L256-L265 HydrophobicContact CD1-CD2 3.73Å
257K91.7Very high91.9Very high187 Ų18758.9 Ų58.981%0.81333%0.326SS*.  trans-69.8-35.7-178.6-63.9-175.2-179.5-179.80112.6
258K91.3Very high92.1Very high137 Ų13755.5 Ų55.560%0.59630%0.302SS*.  trans-72.1132.2179.9-66.2-175.6-176.7174.80110.1D261 R262K258-D261 HydrophobicContact CB-CB 4.11Å; K258-D261 WeakPolarHBondContact CD-OD2 3.31Å; K258-R262 PolarHBondContact O-N 2.76Å; K258-R262 PolarHBondContact O-NE 2.82Å
259E90.9Very high92.3Very high103 Ų10353.2 Ų53.248%0.48128%0.276SS..Hα-helixtrans-66.9-38.1176.7-75.8-176.2179.600112.2F236 R262 A263F236-E259 HydrophobicContact CE1-CG 4.19Å; F236-E259 WeakPolarHBondContact CE2-O 3.48Å; F236-E259 HydrophobicContact CZ-CB 3.82Å; F236-E259 HydrophobicContact CZ-CG 3.78Å; E259-R262 PolarHBondContact O-N 3.36Å; E259-A263 PolarHBondContact O-N 3.05Å
260T90.9Very high92.4Very high65 Ų6554.9 Ų54.940%0.39928%0.282SS..Hα-helixtrans-59-49.2176.6510000111.5R262 A263 D264T260-R262 VanDerWaalsContact C-N 3.27Å; T260-R262 PolarHBondContact O-N 2.76Å; T260-A263 PolarHBondContact O-N 3.48Å; T260-A263 VanDerWaalsContact O-N 3.13Å; T260-D264 WeakPolarHBondContact O-CB 3.31Å; T260-D264 PolarHBondContact O-N 3.36Å
261D92.2Very high92.4Very high39 Ų3956.1 Ų56.121%0.20929%0.29CS..Hα-helixtrans-64.2-35.9-176.8-58.910.7000111.3L180 L256 K258 L265L180-D261 HydrophobicContact CD1-CB 3.72Å; L180-D261 WeakPolarHBondContact CD1-O 3.48Å; L180-D261 HydrophobicContact CD2-CB 4.44Å; L256-D261 HydrophobicContact CD1-CB 4.39Å; L256-D261 HydrophobicContact CD2-CB 4.48Å; K258-D261 HydrophobicContact CB-CB 4.11Å; K258-D261 WeakPolarHBondContact CD-OD2 3.31Å; D261-L265 VanDerWaalsContact O-CB 3.31Å; D261-L265 WeakPolarHBondContact O-CB 3.36Å; D261-L265 PolarHBondContact O-N 3.02Å
262R93.9Very high92.3Very high7 Ų755.9 Ų55.93%0.02629%0.289CS..Hα-helixtrans-66.3-46.1174.4-74.4-174.8-79.2157.3-3.9111.5F236 L239 L256 K258 E259 T260 L265 I266F236-R262 VanDerWaalsContact CD1-NH1 3.35Å; F236-R262 HydrophobicContact CD2-CB 3.73Å; F236-R262 VanDerWaalsContact CE1-NH1 3.32Å; F236-R262 HydrophobicContact CE2-CB 3.65Å; F236-R262 HydrophobicContact CZ-CB 4.38Å; F236-R262 VanDerWaalsContact O-CD 3.31Å; F236-R262 WeakPolarHBondContact O-CD 2.98Å; F236-R262 PolarHBondContact O-NH1 2.89Å; L239-R262 HydrophobicContact CB-CG 4.1Å; L256-R262 HydrophobicContact CB-CG 3.51Å; L256-R262 HydrophobicContact CD1-CG 4.2Å; L256-R262 HydrophobicContact CG-CG 4.49Å; L256-R262 WeakPolarHBondContact O-CD 3.39Å; L256-R262 WeakPolarHBondContact O-CG 3.35Å; L256-R262 PolarHBondContact O-NE 3.35Å; L256-R262 VanDerWaalsContact O-NE 3.08Å; K258-R262 PolarHBondContact O-N 2.76Å; K258-R262 PolarHBondContact O-NE 2.82Å; E259-R262 PolarHBondContact O-N 3.36Å; T260-R262 VanDerWaalsContact C-N 3.27Å; T260-R262 PolarHBondContact O-N 2.76Å; R262-L265 PolarHBondContact O-N 3.32Å; R262-I266 WeakPolarHBondContact O-CB 3.41Å; R262-I266 WeakPolarHBondContact O-CD1 3.09Å; R262-I266 WeakPolarHBondContact O-CG1 3.37Å; R262-I266 PolarHBondContact O-N 3.35Å
263A92.4Very high91.9Very high4 Ų450.9 Ų50.93%0.03327%0.27CS..Hα-helixtrans-63.6-45.2178.800000111.7H169 G172 F236 E259 T260 L265 I266 A267H169-A263 WeakPolarHBondContact O-CB 3.29Å; G172-A263 VanDerWaalsContact CA-C 3.49Å; G172-A263 WeakPolarHBondContact CA-O 3.39Å; F236-A263 HydrophobicContact CE2-CB 4.2Å; E259-A263 PolarHBondContact O-N 3.05Å; T260-A263 PolarHBondContact O-N 3.48Å; T260-A263 VanDerWaalsContact O-N 3.13Å; A263-L265 PolarHBondContact O-N 3.07Å; A263-I266 PolarHBondContact O-N 3.07Å; A263-A267 WeakPolarHBondContact O-CB 3.28Å; A263-A267 PolarHBondContact O-N 3.47Å
264D93.8Very high91.9Very high19 Ų1951.6 Ų51.610%0.10228%0.276CS..Hα-helixtrans-59.1-47.8178.2-67.5-5.2000110.6G172 D173 K176 G177 L180 T260 I266 A267 Y268G172-D264 VanDerWaalsContact CA-OD1 3.25Å; G172-D264 WeakPolarHBondContact CA-OD1 3.41Å; D173-D264 PolarHBondContact N-OD1 3.08Å; D173-D264 WeakPolarHBondContact O-CB 3.25Å; K176-D264 HydrophobicContact CB-CB 4.14Å; K176-D264 WeakPolarHBondContact CB-OD2 3.3Å; G177-D264 VanDerWaalsContact CA-C 3.41Å; G177-D264 WeakPolarHBondContact CA-O 3.19Å; L180-D264 HydrophobicContact CD1-CB 4.13Å; T260-D264 WeakPolarHBondContact O-CB 3.31Å; T260-D264 PolarHBondContact O-N 3.36Å; D264-I266 PolarHBondContact O-N 3.42Å; D264-A267 PolarHBondContact O-N 2.92Å; D264-Y268 PolarHBondContact O-N 2.85Å; D264-Y268 VanDerWaalsContact O-N 3.1Å
265L94.2Very high91.9Very high1 Ų149.4 Ų49.41%0.00525%0.249CC..Hα-helixtrans-62.7-41.5177.7-176.162.9000112.3L180 F181 L239 L256 D261 R262 A263 Y268 L269L180-L265 HydrophobicContact CB-CD1 4.43Å; F181-L265 HydrophobicContact CB-CD1 3.81Å; F181-L265 HydrophobicContact CD2-CD1 4.13Å; L239-L265 HydrophobicContact CD1-CD2 4Å; L239-L265 HydrophobicContact CD2-CD2 4.08Å; L256-L265 HydrophobicContact CD1-CB 4.41Å; L256-L265 HydrophobicContact CD1-CD2 3.73Å; D261-L265 VanDerWaalsContact O-CB 3.31Å; D261-L265 WeakPolarHBondContact O-CB 3.36Å; D261-L265 PolarHBondContact O-N 3.02Å; R262-L265 PolarHBondContact O-N 3.32Å; A263-L265 PolarHBondContact O-N 3.07Å; L265-Y268 PolarHBondContact O-N 3.23Å; L265-L269 HydrophobicContact CG-CD1 4.46Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 2.93Å
266I94.1Very high91.9Very high1 Ų151.3 Ų51.31%0.00526%0.255CS..Hα-helixtrans-66.6-40.8177.9-66.9165.2000110.9R232 L235 F236 L239 R262 A263 D264 Y268 L269 E270R232-I266 HydrophobicContact CB-CG2 4.35Å; R232-I266 HydrophobicContact CG-CG2 3.99Å; L235-I266 HydrophobicContact CB-CD1 3.89Å; L235-I266 HydrophobicContact CB-CG1 3.99Å; F236-I266 HydrophobicContact CB-CD1 3.77Å; F236-I266 HydrophobicContact CD2-CD1 3.87Å; F236-I266 HydrophobicContact CG-CD1 4.33Å; L239-I266 HydrophobicContact CD1-CD1 4.13Å; L239-I266 HydrophobicContact CD1-CG1 3.74Å; R262-I266 WeakPolarHBondContact O-CB 3.41Å; R262-I266 WeakPolarHBondContact O-CD1 3.09Å; R262-I266 WeakPolarHBondContact O-CG1 3.37Å; R262-I266 PolarHBondContact O-N 3.35Å; A263-I266 PolarHBondContact O-N 3.07Å; D264-I266 PolarHBondContact O-N 3.42Å; I266-Y268 VanDerWaalsContact C-N 3.26Å; I266-Y268 PolarHBondContact O-N 3.21Å; I266-L269 PolarHBondContact O-N 2.77Å; I266-L269 VanDerWaalsContact O-N 3.14Å; I266-E270 HydrophobicContact CG2-CG 4.2Å; I266-E270 WeakPolarHBondContact O-CB 3.48Å; I266-E270 WeakPolarHBondContact O-CG 3.35Å; I266-E270 PolarHBondContact O-N 2.77Å
267A93.2Very high91.8Very high12 Ų1253.6 Ų53.610%0.09927%0.266CS..Hα-helixtrans-59.2-39.2175.800000111.8A263 D264 Q271A263-A267 WeakPolarHBondContact O-CB 3.28Å; A263-A267 PolarHBondContact O-N 3.47Å; D264-A267 PolarHBondContact O-N 2.92Å; A267-Q271 PolarHBondContact O-N 3.11Å
268Y94.9Very high91.8Very high23 Ų2345.3 Ų45.39%0.0923%0.232CC..Hα-helixtrans-67.1-42173.6178.6-106.5000112.9K178 F181 V191 D264 L265 I266 E270 Q271 N272K178-Y268 HydrophobicContact CB-CD2 3.62Å; K178-Y268 HydrophobicContact CB-CE2 3.52Å; K178-Y268 HydrophobicContact CB-CG 4.24Å; K178-Y268 HydrophobicContact CD-CE2 4Å; K178-Y268 HydrophobicContact CG-CD2 4.26Å; K178-Y268 HydrophobicContact CG-CE2 3.62Å; F181-Y268 HydrophobicContact CB-CD1 3.83Å; F181-Y268 HydrophobicContact CB-CE1 3.76Å; F181-Y268 HydrophobicContact CD1-CE1 4.04Å; F181-Y268 HydrophobicContact CD2-CD1 4.22Å; F181-Y268 HydrophobicContact CD2-CE1 4.06Å; F181-Y268 HydrophobicContact CG-CD1 4.06Å; F181-Y268 AromaticContact CG-CE1 3.68Å; F181-Y268 HydrophobicContact CG-CE1 3.68Å; V191-Y268 HydrophobicContact CG1-CE1 4.4Å; V191-Y268 HydrophobicContact CG2-CE1 4.33Å; D264-Y268 PolarHBondContact O-N 2.85Å; D264-Y268 VanDerWaalsContact O-N 3.1Å; L265-Y268 PolarHBondContact O-N 3.23Å; I266-Y268 VanDerWaalsContact C-N 3.26Å; I266-Y268 PolarHBondContact O-N 3.21Å; Y268-E270 VanDerWaalsContact C-N 3.33Å; Y268-E270 PolarHBondContact O-N 3.18Å; Y268-Q271 PolarHBondContact O-N 3.05Å; Y268-N272 VanDerWaalsContact CE2-ND2 3.26Å; Y268-N272 WeakPolarHBondContact CE2-ND2 3.11Å; Y268-N272 PolarHBondContact O-N 3.42Å; Y268-N272 PolarHBondContact O-ND2 2.79Å
269L93.9Very high91.9Very high8 Ų839.2 Ų39.24%0.04221%0.208CC..Hα-helixtrans-66.1-35.4177-69.8174.3000112.4F181 V191 L203 I206 L265 I266 Q271 N272 S273F181-L269 HydrophobicContact CD2-CD2 4.14Å; F181-L269 HydrophobicContact CE2-CD2 4.02Å; V191-L269 HydrophobicContact CG2-CD2 4.36Å; L203-L269 HydrophobicContact CB-CD2 4.21Å; L203-L269 HydrophobicContact CD1-CD2 4.41Å; I206-L269 HydrophobicContact CG2-CB 4.28Å; I206-L269 HydrophobicContact CG2-CD1 4.45Å; L265-L269 HydrophobicContact CG-CD1 4.46Å; L265-L269 WeakPolarHBondContact O-CG 3.47Å; L265-L269 PolarHBondContact O-N 2.93Å; I266-L269 PolarHBondContact O-N 2.77Å; I266-L269 VanDerWaalsContact O-N 3.14Å; L269-Q271 VanDerWaalsContact C-N 3.34Å; L269-N272 CarbonylContact O-C 3.43Å; L269-N272 PolarHBondContact O-N 3.28Å; L269-S273 PolarHBondContact O-N 3.36Å; L269-S273 VanDerWaalsContact O-N 3.17Å; L269-S273 PolarHBondContact O-OG 3.22Å
270E92.4Very high91.9Very high57 Ų5734.6 Ų34.627%0.26619%0.188SC..Hα-helixtrans-64.3-36.1174.1-75.9171.5173.300112.1V207 R232 I266 Y268 N272 S273V207-E270 HydrophobicContact CG1-CG 4.41Å; V207-E270 HydrophobicContact CG2-CG 3.79Å; R232-E270 IonicContact CZ-OE1 2.7Å; R232-E270 IonicContact CZ-OE2 3.33Å; R232-E270 IonicContact NE-OE1 2.65Å; R232-E270 PolarHBondContact NE-OE1 2.86Å; R232-E270 IonicContact NE-OE2 2.99Å; R232-E270 IonicContact NH2-OE1 3.51Å; R232-E270 PolarHBondContact NH2-OE1 3.28Å; R232-E270 IonicContact NH2-OE2 2.73Å; R232-E270 PolarHBondContact NH2-OE2 3.27Å; I266-E270 HydrophobicContact CG2-CG 4.2Å; I266-E270 WeakPolarHBondContact O-CB 3.48Å; I266-E270 WeakPolarHBondContact O-CG 3.35Å; I266-E270 PolarHBondContact O-N 2.77Å; Y268-E270 VanDerWaalsContact C-N 3.33Å; Y268-E270 PolarHBondContact O-N 3.18Å; E270-N272 VanDerWaalsContact C-N 3.3Å; E270-N272 PolarHBondContact O-N 2.89Å; E270-S273 PolarHBondContact O-N 2.87Å
271Q90.5Very high92Very high130 Ų13032.3 Ų32.361%0.60717%0.172SC*.Hα-helixtrans-69.2-26.5175-76.8-173.4-17.200113.9P174 A267 Y268 L269P174-Q271 VanDerWaalsContact CB-CD 3.41Å; P174-Q271 HydrophobicContact CB-CG 4.38Å; P174-Q271 VanDerWaalsContact CB-OE1 3.23Å; A267-Q271 PolarHBondContact O-N 3.11Å; Y268-Q271 PolarHBondContact O-N 3.05Å; L269-Q271 VanDerWaalsContact C-N 3.34Å
272N89.7Confident92Very high47 Ų4731.8 Ų31.825%0.25117%0.169SC..THydrogen-bonded Turntrans-105.622179.5-60.9-90.2000112V191 H204 G205 Y268 L269 E270V191-N272 HydrophobicContact CG2-CB 3.5Å; H204-N272 PolarHBondContact CD2-O 3.26Å; H204-N272 VanDerWaalsContact CD2-O 3.31Å; G205-N272 PolarHBondContact N-O 3.12Å; Y268-N272 VanDerWaalsContact CE2-ND2 3.26Å; Y268-N272 WeakPolarHBondContact CE2-ND2 3.11Å; Y268-N272 PolarHBondContact O-N 3.42Å; Y268-N272 PolarHBondContact O-ND2 2.79Å; L269-N272 CarbonylContact O-C 3.43Å; L269-N272 PolarHBondContact O-N 3.28Å; E270-N272 VanDerWaalsContact C-N 3.3Å; E270-N272 PolarHBondContact O-N 2.89Å
273S81.1Confident91.8Very high72 Ų7234 Ų3450%0.50318%0.182SC..  trans-96.80175.6-69.90000112.4G205 V207 L269 E270G205-S273 VanDerWaalsContact CA-OXT 3.26Å; G205-S273 WeakPolarHBondContact CA-OXT 3.07Å; V207-S273 WeakPolarHBondContact CG2-OG 3.33Å; V207-S273 PolarHBondContact N-OG 2.9Å; L269-S273 PolarHBondContact O-N 3.36Å; L269-S273 VanDerWaalsContact O-N 3.17Å; L269-S273 PolarHBondContact O-OG 3.22Å; E270-S273 PolarHBondContact O-N 2.87Å

Retrieved 273 of 273 residues in 1125.4 ms (Link to these results)

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