A0A077YW25_TRITR Loading...

Mitogen-activated protein kinase

AlphaFold DB , UniProt , Accession A0A077YW25, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 381 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
1M57.2Low86Confident170 Ų17078.2 Ų78.284%0.83741%0.41SS*.  0121.40-69.1174.5-101.300106.8F45M1-F45 HydrophobicContact SD-CB 3.92Å; M1-F45 HydrophobicContact SD-CD2 4.32Å; M1-F45 HydrophobicContact SD-CG 4.2Å
2S68Low86.9Confident62 Ų6277.2 Ų77.243%0.43440%0.402SS..  trans-77.9122.9173.7-178.70000108.8E4 K43 F45S2-E4 PolarHBondContact O-N 3.21Å; S2-E4 VanDerWaalsContact OG-CB 3.26Å; S2-E4 WeakPolarHBondContact OG-CB 3.29Å; S2-E4 WeakPolarHBondContact OG-CG 3.25Å; S2-E4 PolarHBondContact OG-N 3.2Å; S2-E4 VanDerWaalsContact OG-N 3.17Å; S2-E4 PolarHBondContact OG-OE2 3.27Å; S2-K43 PolarHBondContact O-NZ 3.2Å; S2-F45 VanDerWaalsContact O-CE1 3.27Å; S2-F45 WeakPolarHBondContact O-CE1 3.21Å
3E79.7Confident87.7Confident81 Ų8172.2 Ų72.238%0.37937%0.374SS..  trans-73.7-5.5172-60.4-164.6174.700112.2R18 K21 I26 W28E3-R18 IonicContact OE2-NH1 3.95Å; E3-K21 IonicContact OE1-NZ 2.78Å; E3-K21 PolarHBondContact OE1-NZ 3.06Å; E3-I26 HydrophobicContact CB-CD1 3.78Å; E3-I26 HydrophobicContact CG-CD1 3.66Å; E3-W28 WeakPolarHBondContact O-CZ2 3.12Å
4E85.7Confident88.4Confident147 Ų14776.2 Ų76.269%0.68738%0.384SS*.SBendtrans-69.1146.8179.7-61.7165162.800110.8S2 K43S2-E4 PolarHBondContact O-N 3.21Å; S2-E4 VanDerWaalsContact OG-CB 3.26Å; S2-E4 WeakPolarHBondContact OG-CB 3.29Å; S2-E4 WeakPolarHBondContact OG-CG 3.25Å; S2-E4 PolarHBondContact OG-N 3.2Å; S2-E4 VanDerWaalsContact OG-N 3.17Å; S2-E4 PolarHBondContact OG-OE2 3.27Å; E4-K43 PolarHBondContact O-NZ 2.99Å
5V90.3Very high88.9Confident12 Ų1273.3 Ų73.37%0.07337%0.369CS..PPolyproline II helixtrans-89.4135.8175.5176.60000107.6I9 E10 I15 W28 Y89V5-I9 HydrophobicContact CG1-CB 3.61Å; V5-I9 HydrophobicContact CG1-CG2 3.46Å; V5-I9 VanDerWaalsContact CG1-CG2 3.46Å; V5-E10 HydrophobicContact CB-CG 3.99Å; V5-E10 HydrophobicContact CG1-CG 3.77Å; V5-I15 HydrophobicContact CB-CG1 4.42Å; V5-I15 HydrophobicContact CG1-CD1 4.15Å; V5-I15 HydrophobicContact CG1-CG1 4.3Å; V5-I15 HydrophobicContact CG2-CD1 4.36Å; V5-I15 HydrophobicContact CG2-CG1 4.29Å; V5-W28 HydrophobicContact CG2-CD2 4.47Å; V5-W28 HydrophobicContact CG2-CE3 4.46Å; V5-W28 HydrophobicContact CG2-CH2 3.98Å; V5-W28 HydrophobicContact CG2-CZ2 4.03Å; V5-W28 HydrophobicContact CG2-CZ3 4.23Å; V5-Y89 HydrophobicContact CG1-CE1 4.1Å
6D92.8Very high89.3Confident26 Ų2676.9 Ų76.914%0.13938%0.377CS..PPolyproline II helixtrans-64.2143.8-176.5-50.6-1.5000110.9H8 I9 E10 K43 A82 V83 Y89D6-H8 VanDerWaalsContact CB-CE1 3.47Å; D6-H8 WeakPolarHBondContact CB-CE1 3.33Å; D6-H8 WeakPolarHBondContact CB-ND1 3.18Å; D6-H8 PolarHBondContact O-N 3Å; D6-H8 VanDerWaalsContact O-N 3.11Å; D6-H8 IonicContact OD2-CE1 3.33Å; D6-H8 PolarHBondContact OD2-CE1 3.07Å; D6-I9 HydrophobicContact CB-CG1 4.12Å; D6-I9 WeakPolarHBondContact O-CA 3.47Å; D6-I9 VanDerWaalsContact O-CB 3.26Å; D6-I9 WeakPolarHBondContact O-CB 3.31Å; D6-I9 PolarHBondContact O-N 3.27Å; D6-E10 PolarHBondContact O-N 3.36Å; D6-K43 IonicContact OD1-NZ 3.7Å; D6-A82 VanDerWaalsContact OD2-CA 3.24Å; D6-A82 WeakPolarHBondContact OD2-CA 2.89Å; D6-A82 VanDerWaalsContact OD2-CB 3.32Å; D6-A82 WeakPolarHBondContact OD2-CB 3.32Å; D6-V83 HydrophobicContact CB-CG2 4.06Å; D6-V83 PolarHBondContact OD2-N 2.67Å; D6-Y89 PolarHBondContact N-OH 3.15Å; D6-Y89 VanDerWaalsContact N-OH 3.07Å; D6-Y89 PolarHBondContact OD1-OH 2.94Å; D6-Y89 WeakPolarHBondContact OD2-CE2 3.39Å
7D92.8Very high89.6Confident135 Ų13580.6 Ų80.672%0.72239%0.386SS*.Hα-helixtrans-53.8-37.5-175.2-63.1-16.6000113.8I9 E10 S11D7-I9 PolarHBondContact O-N 3.25Å; D7-E10 PolarHBondContact O-N 2.75Å; D7-S11 WeakPolarHBondContact O-CB 3.33Å; D7-S11 PolarHBondContact O-N 3.45Å
8H94Very high89.9Confident64 Ų6484 Ų8430%0.29639%0.394SS..Hα-helixtrans-71.9-19178.873.6-71.9000113.3D6 S11 Q12 K81D6-H8 VanDerWaalsContact CB-CE1 3.47Å; D6-H8 WeakPolarHBondContact CB-CE1 3.33Å; D6-H8 WeakPolarHBondContact CB-ND1 3.18Å; D6-H8 PolarHBondContact O-N 3Å; D6-H8 VanDerWaalsContact O-N 3.11Å; D6-H8 IonicContact OD2-CE1 3.33Å; D6-H8 PolarHBondContact OD2-CE1 3.07Å; H8-S11 PolarHBondContact O-OG 3.12Å; H8-Q12 PolarHBondContact O-NE2 3.08Å; H8-K81 PolarHBondContact NE2-O 2.88Å
9I94.7Very high89.9Confident0 Ų082.9 Ų82.90%039%0.391CS..Hα-helixtrans-81.5-44.1170.8-56.1-63.4000109V5 D6 D7 S11 Q12 Y13 L41 I80 Y89V5-I9 HydrophobicContact CG1-CB 3.61Å; V5-I9 HydrophobicContact CG1-CG2 3.46Å; V5-I9 VanDerWaalsContact CG1-CG2 3.46Å; D6-I9 HydrophobicContact CB-CG1 4.12Å; D6-I9 WeakPolarHBondContact O-CA 3.47Å; D6-I9 VanDerWaalsContact O-CB 3.26Å; D6-I9 WeakPolarHBondContact O-CB 3.31Å; D6-I9 PolarHBondContact O-N 3.27Å; D7-I9 PolarHBondContact O-N 3.25Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 2.92Å; I9-Q12 PolarHBondContact O-N 3.05Å; I9-Q12 VanDerWaalsContact O-N 3.07Å; I9-Y13 HydrophobicContact CG2-CD2 4.11Å; I9-Y13 PolarHBondContact O-N 3.14Å; I9-L41 HydrophobicContact CG2-CD1 3.57Å; I9-I80 HydrophobicContact CD1-CB 3.98Å; I9-I80 HydrophobicContact CD1-CD1 4.07Å; I9-I80 HydrophobicContact CD1-CG2 3.46Å; I9-I80 VanDerWaalsContact CD1-CG2 3.46Å; I9-Y89 HydrophobicContact CD1-CD2 3.81Å; I9-Y89 HydrophobicContact CD1-CE2 4.21Å; I9-Y89 HydrophobicContact CD1-CG 4.02Å; I9-Y89 HydrophobicContact CG1-CD1 4.34Å; I9-Y89 HydrophobicContact CG1-CD2 3.83Å; I9-Y89 HydrophobicContact CG1-CE1 4.23Å; I9-Y89 HydrophobicContact CG1-CE2 3.73Å; I9-Y89 HydrophobicContact CG1-CG 4.14Å; I9-Y89 HydrophobicContact CG2-CD1 4.23Å; I9-Y89 HydrophobicContact CG2-CE1 4.29Å
10E95.1Very high89.8Confident84 Ų8480.4 Ų80.439%0.39339%0.388SS..Hα-helixtrans-65.4-28.9177.9-61.9-157.8142.300113.6V5 D6 D7 Q12 Y13 I15 R33V5-E10 HydrophobicContact CB-CG 3.99Å; V5-E10 HydrophobicContact CG1-CG 3.77Å; D6-E10 PolarHBondContact O-N 3.36Å; D7-E10 PolarHBondContact O-N 2.75Å; E10-Q12 VanDerWaalsContact C-N 3.26Å; E10-Q12 PolarHBondContact O-N 3.26Å; E10-Y13 CarbonylContact C-O 3.59Å; E10-Y13 WeakPolarHBondContact CA-O 3.44Å; E10-I15 HydrophobicContact CG-CG1 4.27Å; E10-R33 PolarHBondContact O-NE 2.66Å; E10-R33 PolarHBondContact O-NH2 3.01Å
11S95.8Very high89.5Confident79 Ų7982.8 Ų82.855%0.55240%0.396SS*.THydrogen-bonded Turntrans-68.4-24.4173.476.20000113D7 H8 I9 R33D7-S11 WeakPolarHBondContact O-CB 3.33Å; D7-S11 PolarHBondContact O-N 3.45Å; H8-S11 PolarHBondContact O-OG 3.12Å; I9-S11 VanDerWaalsContact C-N 3.27Å; I9-S11 PolarHBondContact O-N 2.92Å; S11-R33 WeakPolarHBondContact O-CD 3.4Å
12Q96.3Very high90.2Very high66 Ų6677 Ų7731%0.30838%0.381SS..THydrogen-bonded Turntrans-97.5-34176.8-70.5175.775.100112.2H8 I9 E10 R33H8-Q12 PolarHBondContact O-NE2 3.08Å; I9-Q12 PolarHBondContact O-N 3.05Å; I9-Q12 VanDerWaalsContact O-N 3.07Å; E10-Q12 VanDerWaalsContact C-N 3.26Å; E10-Q12 PolarHBondContact O-N 3.26Å; Q12-R33 WeakPolarHBondContact O-CB 3.47Å; Q12-R33 WeakPolarHBondContact O-CG 3.31Å; Q12-R33 PolarHBondContact O-N 2.91Å
13Y97.7Very high90.4Very high12 Ų1276.9 Ų76.95%0.04738%0.383CS..EExtended strand (participates in β ladder)trans-125.5123-173.8-61.7-81.6000110.9I9 E10 I15 T31 D32 V39 L41 I80 I91I9-Y13 HydrophobicContact CG2-CD2 4.11Å; I9-Y13 PolarHBondContact O-N 3.14Å; E10-Y13 CarbonylContact C-O 3.59Å; E10-Y13 WeakPolarHBondContact CA-O 3.44Å; Y13-I15 PolarHBondContact O-N 3.48Å; Y13-T31 CarbonylContact C-O 3.51Å; Y13-T31 WeakPolarHBondContact CA-O 3.41Å; Y13-D32 HydrophobicContact CD1-CB 4.15Å; Y13-D32 HydrophobicContact CE1-CB 3.94Å; Y13-V39 HydrophobicContact CD1-CG2 3.85Å; Y13-V39 HydrophobicContact CE1-CG2 4Å; Y13-L41 HydrophobicContact CD2-CD1 4.2Å; Y13-L41 HydrophobicContact CG-CD1 4.15Å; Y13-I80 HydrophobicContact CE2-CD1 3.58Å; Y13-I91 HydrophobicContact CD2-CD1 4.4Å; Y13-I91 HydrophobicContact CE1-CD1 4.29Å; Y13-I91 HydrophobicContact CE1-CG1 4.41Å; Y13-I91 HydrophobicContact CE1-CG2 4.03Å; Y13-I91 HydrophobicContact CE2-CD1 3.97Å; Y13-I91 HydrophobicContact CE2-CG1 4.2Å
14Y97.5Very high90.2Very high129 Ų12977.2 Ų77.251%0.50638%0.382SS..EExtended strand (participates in β ladder)trans-76.4105168.6-179.8-112000109.5R16 A30 T31Y14-R16 HydrophobicContact CD1-CG 3.97Å; Y14-R16 HydrophobicContact CE1-CG 4.07Å; Y14-R16 PolarHBondContact O-N 3.06Å; Y14-A30 CarbonylContact O-C 3.54Å; Y14-A30 VanDerWaalsContact O-CA 3.27Å; Y14-A30 WeakPolarHBondContact O-CA 3.34Å; Y14-T31 PolarHBondContact N-O 3.19Å; Y14-T31 PolarHBondContact O-N 3.02Å
15I96.6Very high90.2Very high33 Ų3370.5 Ų70.517%0.16935%0.352CS..EExtended strand (participates in β ladder)trans-69.2125179-50.7-54.6000108.9V5 E10 Y13 W28 A30 L41V5-I15 HydrophobicContact CB-CG1 4.42Å; V5-I15 HydrophobicContact CG1-CD1 4.15Å; V5-I15 HydrophobicContact CG1-CG1 4.3Å; V5-I15 HydrophobicContact CG2-CD1 4.36Å; V5-I15 HydrophobicContact CG2-CG1 4.29Å; E10-I15 HydrophobicContact CG-CG1 4.27Å; Y13-I15 PolarHBondContact O-N 3.48Å; I15-W28 HydrophobicContact CG2-CB 4.08Å; I15-W28 HydrophobicContact CG2-CG 3.93Å; I15-A30 HydrophobicContact CD1-CB 4.08Å; I15-L41 HydrophobicContact CD1-CD1 3.85Å
16R95.4Very high90.3Very high130 Ų13069.9 Ų69.949%0.49135%0.348SS..EExtended strand (participates in β ladder)trans-100-109.7177.2-57.4-171.1-177.5-158.33109.7Y14 K29 T31Y14-R16 HydrophobicContact CD1-CG 3.97Å; Y14-R16 HydrophobicContact CE1-CG 4.07Å; Y14-R16 PolarHBondContact O-N 3.06Å; R16-K29 WeakPolarHBondContact CA-O 3.3Å; R16-K29 HydrophobicContact CB-CB 4.45Å; R16-K29 VanDerWaalsContact CB-O 3.31Å; R16-K29 WeakPolarHBondContact CB-O 3.33Å; R16-K29 PolarHBondContact N-O 3.36Å; R16-T31 PolarHBondContact NE-OG1 3.33Å; R16-T31 PolarHBondContact NH2-OG1 3.44Å
17R94.2Very high90.4Very high140 Ų14070.6 Ų70.653%0.52835%0.353SS..EExtended strand (participates in β ladder)trans-101.7149.2-178.168.9176.7-175.1141.51.9111.3L19 K29R17-L19 HydrophobicContact CG-CD2 4.45Å; R17-K29 HydrophobicContact CG-CB 4.11Å; R17-K29 PolarHBondContact O-N 3.48Å
18R93.6Very high90.6Very high142 Ų14265.3 Ų65.354%0.53632%0.323SS..EExtended strand (participates in β ladder)trans-66.8132.7166.9-167.5170.767.4-173.40.9109.8E3 I26E3-R18 IonicContact OE2-NH1 3.95Å; R18-I26 HydrophobicContact CG-CG2 3.7Å
19L91.2Very high90.7Very high64 Ų6464.1 Ų64.134%0.33532%0.317SS..EExtended strand (participates in β ladder)trans-94.8-38.2176.8-65.1175.9000111.6R17 V27 K29 A40 Y94R17-L19 HydrophobicContact CG-CD2 4.45Å; L19-V27 HydrophobicContact CB-CB 4.46Å; L19-V27 HydrophobicContact CB-CG1 4.4Å; L19-V27 HydrophobicContact CD1-CG1 4.22Å; L19-V27 PolarHBondContact N-O 3.49Å; L19-K29 HydrophobicContact CD1-CB 4.11Å; L19-K29 HydrophobicContact CD2-CB 4.04Å; L19-K29 HydrophobicContact CG-CB 4.05Å; L19-A40 HydrophobicContact CD1-CB 4.43Å; L19-Y94 HydrophobicContact CD1-CD2 4.16Å; L19-Y94 HydrophobicContact CD1-CE2 3.87Å; L19-Y94 HydrophobicContact CD2-CE2 4.15Å
20G86.6Confident90.9Very high31 Ų3164.1 Ų64.132%0.3232%0.317SS..EExtended strand (participates in β ladder)trans-172.7162.9178.900000112.8V27G20-V27 PolarHBondContact N-O 2.98Å; G20-V27 PolarHBondContact O-N 2.96Å
21K84Confident91.1Very high131 Ų13160.8 Ų60.857%0.5730%0.303SS*.EExtended strand (participates in β ladder)trans-124.8115.6171.9178.8172.1179.9176.60107.6E3 I26E3-K21 IonicContact OE1-NZ 2.78Å; E3-K21 PolarHBondContact OE1-NZ 3.06Å; K21-I26 HydrophobicContact CB-CG1 4.25Å; K21-I26 HydrophobicContact CD-CD1 4.48Å; K21-I26 HydrophobicContact CD-CG1 4.27Å; K21-I26 HydrophobicContact CG-CG1 3.94Å
22G72.2Confident91.1Very high50 Ų5058.7 Ų58.752%0.51529%0.286SS..EExtended strand (participates in β ladder)trans-97.8-178175.100000111.6Y24 G25G22-Y24 PolarHBondContact O-N 3.25Å; G22-G25 PolarHBondContact N-O 3.29Å
23A71.9Confident91.2Very high59 Ų5962.2 Ų62.249%0.48830%0.296SS..THydrogen-bonded Turntrans-63.8-27.2175.300000113Y180A23-Y180 HydrophobicContact CB-CE2 4.14Å
24Y75.9Confident91.1Very high87 Ų8771.3 Ų71.334%0.34134%0.336SS..THydrogen-bonded Turntrans-109.9-0.6-170.6-54.4-72.5000113.9G22 I44 F45 R56G22-Y24 PolarHBondContact O-N 3.25Å; Y24-I44 VanDerWaalsContact O-CA 3.32Å; Y24-I44 WeakPolarHBondContact O-CA 3.45Å; Y24-F45 PolarHBondContact O-N 3.1Å; Y24-F45 VanDerWaalsContact O-N 3.14Å; Y24-R56 PolarHBondContact OH-NH1 3.12Å
25G85.8Confident91Very high6 Ų668 Ų686%0.06233%0.332CS..EExtended strand (participates in β ladder)trans167.5179.1-171.600000115.7G22 K43G22-G25 PolarHBondContact N-O 3.29Å; G25-K43 CarbonylContact C-O 3.19Å; G25-K43 WeakPolarHBondContact CA-O 3.45Å
26I92.6Very high91.1Very high0 Ų068.9 Ų68.90%035%0.349CS..EExtended strand (participates in β ladder)trans-117.8143.1174.3-61.9170.5000108.9E3 R18 K21 W28 K42 K43 F45E3-I26 HydrophobicContact CB-CD1 3.78Å; E3-I26 HydrophobicContact CG-CD1 3.66Å; R18-I26 HydrophobicContact CG-CG2 3.7Å; K21-I26 HydrophobicContact CB-CG1 4.25Å; K21-I26 HydrophobicContact CD-CD1 4.48Å; K21-I26 HydrophobicContact CD-CG1 4.27Å; K21-I26 HydrophobicContact CG-CG1 3.94Å; I26-W28 HydrophobicContact CB-CE3 4.19Å; I26-W28 HydrophobicContact CB-CH2 3.4Å; I26-W28 HydrophobicContact CB-CZ2 3.75Å; I26-W28 HydrophobicContact CB-CZ3 3.62Å; I26-W28 HydrophobicContact CD1-CH2 4.14Å; I26-W28 HydrophobicContact CD1-CZ2 4.06Å; I26-W28 HydrophobicContact CG1-CH2 4.33Å; I26-W28 HydrophobicContact CG2-CD2 3.7Å; I26-W28 VanDerWaalsContact CG2-CE2 3.41Å; I26-W28 HydrophobicContact CG2-CE3 3.81Å; I26-W28 HydrophobicContact CG2-CH2 3.49Å; I26-W28 VanDerWaalsContact CG2-CH2 3.49Å; I26-W28 HydrophobicContact CG2-CZ2 3.31Å; I26-W28 HydrophobicContact CG2-CZ3 3.7Å; I26-W28 VanDerWaalsContact O-CZ3 3.27Å; I26-W28 WeakPolarHBondContact O-CZ3 3.45Å; I26-K42 CarbonylContact O-C 3.52Å; I26-K42 WeakPolarHBondContact O-CA 3.39Å; I26-K43 PolarHBondContact N-O 3.14Å; I26-K43 VanDerWaalsContact N-O 3.11Å; I26-K43 PolarHBondContact O-N 2.96Å; I26-F45 HydrophobicContact CD1-CE2 3.91Å; I26-F45 HydrophobicContact CD1-CZ 3.67Å; I26-F45 HydrophobicContact CG1-CE2 3.77Å; I26-F45 HydrophobicContact CG1-CZ 3.93Å
27V94.9Very high91.1Very high40 Ų4069.6 Ų69.624%0.24236%0.356CS..EExtended strand (participates in β ladder)trans-115.1130.5174.9-168.90000109.5L19 G20 A40 L41 K42L19-V27 HydrophobicContact CB-CB 4.46Å; L19-V27 HydrophobicContact CB-CG1 4.4Å; L19-V27 HydrophobicContact CD1-CG1 4.22Å; L19-V27 PolarHBondContact N-O 3.49Å; G20-V27 PolarHBondContact N-O 2.98Å; G20-V27 PolarHBondContact O-N 2.96Å; V27-A40 HydrophobicContact CG1-CB 4.27Å; V27-L41 CarbonylContact C-O 3.36Å; V27-L41 VanDerWaalsContact CA-O 3.27Å; V27-L41 WeakPolarHBondContact CA-O 3.47Å; V27-K42 HydrophobicContact CG2-CB 4.04Å; V27-K42 HydrophobicContact CG2-CD 4.48Å; V27-K42 HydrophobicContact CG2-CG 4.04Å
28W96.4Very high91.3Very high24 Ų2465.5 Ų65.59%0.09135%0.346CS..EExtended strand (participates in β ladder)trans-117.5150.4173.9-62.5-100.5000111.2E3 V5 I15 I26 A40 L41 K43E3-W28 WeakPolarHBondContact O-CZ2 3.12Å; V5-W28 HydrophobicContact CG2-CD2 4.47Å; V5-W28 HydrophobicContact CG2-CE3 4.46Å; V5-W28 HydrophobicContact CG2-CH2 3.98Å; V5-W28 HydrophobicContact CG2-CZ2 4.03Å; V5-W28 HydrophobicContact CG2-CZ3 4.23Å; I15-W28 HydrophobicContact CG2-CB 4.08Å; I15-W28 HydrophobicContact CG2-CG 3.93Å; I26-W28 HydrophobicContact CB-CE3 4.19Å; I26-W28 HydrophobicContact CB-CH2 3.4Å; I26-W28 HydrophobicContact CB-CZ2 3.75Å; I26-W28 HydrophobicContact CB-CZ3 3.62Å; I26-W28 HydrophobicContact CD1-CH2 4.14Å; I26-W28 HydrophobicContact CD1-CZ2 4.06Å; I26-W28 HydrophobicContact CG1-CH2 4.33Å; I26-W28 HydrophobicContact CG2-CD2 3.7Å; I26-W28 VanDerWaalsContact CG2-CE2 3.41Å; I26-W28 HydrophobicContact CG2-CE3 3.81Å; I26-W28 HydrophobicContact CG2-CH2 3.49Å; I26-W28 VanDerWaalsContact CG2-CH2 3.49Å; I26-W28 HydrophobicContact CG2-CZ2 3.31Å; I26-W28 HydrophobicContact CG2-CZ3 3.7Å; I26-W28 VanDerWaalsContact O-CZ3 3.27Å; I26-W28 WeakPolarHBondContact O-CZ3 3.45Å; W28-A40 CarbonylContact O-C 3.55Å; W28-A40 WeakPolarHBondContact O-CA 3.19Å; W28-L41 HydrophobicContact CE3-CD2 3.59Å; W28-L41 HydrophobicContact CZ3-CD2 3.96Å; W28-L41 PolarHBondContact N-O 3.01Å; W28-L41 PolarHBondContact O-N 3.19Å; W28-K43 HydrophobicContact CH2-CB 4.07Å; W28-K43 HydrophobicContact CH2-CD 4.35Å; W28-K43 HydrophobicContact CZ3-CB 3.57Å
29K97.4Very high91.5Very high39 Ų3959 Ų5917%0.1732%0.322CS..EExtended strand (participates in β ladder)trans-76.2127.7158-175.3173.9-169.9164.90106.9R16 R17 L19 V38 Y94R16-K29 WeakPolarHBondContact CA-O 3.3Å; R16-K29 HydrophobicContact CB-CB 4.45Å; R16-K29 VanDerWaalsContact CB-O 3.31Å; R16-K29 WeakPolarHBondContact CB-O 3.33Å; R16-K29 PolarHBondContact N-O 3.36Å; R17-K29 HydrophobicContact CG-CB 4.11Å; R17-K29 PolarHBondContact O-N 3.48Å; L19-K29 HydrophobicContact CD1-CB 4.11Å; L19-K29 HydrophobicContact CD2-CB 4.04Å; L19-K29 HydrophobicContact CG-CB 4.05Å; K29-V38 HydrophobicContact CD-CG1 4.29Å; K29-V38 HydrophobicContact CG-CG1 3.95Å; K29-Y94 HydrophobicContact CB-CD2 4.49Å; K29-Y94 HydrophobicContact CB-CE2 4.1Å; K29-Y94 HydrophobicContact CD-CD2 4.34Å; K29-Y94 HydrophobicContact CD-CE2 3.63Å; K29-Y94 HydrophobicContact CG-CD2 3.99Å; K29-Y94 HydrophobicContact CG-CE2 3.69Å; K29-Y94 PolarHBondContact NZ-OH 3.19Å
30A98Very high91.8Very high0 Ų056.4 Ų56.40%031%0.31CS..EExtended strand (participates in β ladder)trans-133168.5176.100000110.9Y14 I15 V38 V39 L41Y14-A30 CarbonylContact O-C 3.54Å; Y14-A30 VanDerWaalsContact O-CA 3.27Å; Y14-A30 WeakPolarHBondContact O-CA 3.34Å; I15-A30 HydrophobicContact CD1-CB 4.08Å; A30-V38 WeakPolarHBondContact O-CA 3.5Å; A30-V39 HydrophobicContact CB-CG2 4.05Å; A30-V39 PolarHBondContact N-O 2.81Å; A30-V39 PolarHBondContact O-N 3.26Å; A30-L41 HydrophobicContact CB-CB 4.23Å
31T98.3Very high92.3Very high15 Ų1555 Ų559%0.09230%0.295CS..EExtended strand (participates in β ladder)trans-121.5122171.1-61.80000108.8Y13 Y14 R16 R33 K37Y13-T31 CarbonylContact C-O 3.51Å; Y13-T31 WeakPolarHBondContact CA-O 3.41Å; Y14-T31 PolarHBondContact N-O 3.19Å; Y14-T31 PolarHBondContact O-N 3.02Å; R16-T31 PolarHBondContact NE-OG1 3.33Å; R16-T31 PolarHBondContact NH2-OG1 3.44Å; T31-R33 PolarHBondContact O-N 3.21Å; T31-K37 WeakPolarHBondContact CA-O 3.42Å
32D97.7Very high92.9Very high35 Ų3550.2 Ų50.219%0.18727%0.274CS..EExtended strand (participates in β ladder)trans-61.4116.7168.9172.23.9000108.5Y13 K34 S35 G36 K37Y13-D32 HydrophobicContact CD1-CB 4.15Å; Y13-D32 HydrophobicContact CE1-CB 3.94Å; D32-K34 PolarHBondContact O-N 3.2Å; D32-K34 WeakPolarHBondContact OD1-CB 3.29Å; D32-K34 PolarHBondContact OD1-N 2.91Å; D32-S35 WeakPolarHBondContact CB-OG 3.49Å; D32-S35 PolarHBondContact OD1-N 3.23Å; D32-S35 WeakPolarHBondContact OD2-CB 3.37Å; D32-S35 PolarHBondContact OD2-OG 2.96Å; D32-G36 VanDerWaalsContact O-CA 3.26Å; D32-G36 WeakPolarHBondContact O-CA 3.48Å; D32-G36 PolarHBondContact O-N 3.33Å; D32-K37 PolarHBondContact N-O 3Å
33R97.7Very high94Very high140 Ų14048.1 Ų48.153%0.52825%0.251SS..THydrogen-bonded Turntrans-67.1-25.3-176.1-67.3174.4-178.9-858.6112.4E10 S11 Q12 T31E10-R33 PolarHBondContact O-NE 2.66Å; E10-R33 PolarHBondContact O-NH2 3.01Å; S11-R33 WeakPolarHBondContact O-CD 3.4Å; Q12-R33 WeakPolarHBondContact O-CB 3.47Å; Q12-R33 WeakPolarHBondContact O-CG 3.31Å; Q12-R33 PolarHBondContact O-N 2.91Å; T31-R33 PolarHBondContact O-N 3.21Å
34K95.7Very high94.9Very high202 Ų20245.6 Ų45.688%0.87823%0.229SC*.THydrogen-bonded Turntrans-78.9-46.3-179.9-175.2179.1179.8178.60111.7D32D32-K34 PolarHBondContact O-N 3.2Å; D32-K34 WeakPolarHBondContact OD1-CB 3.29Å; D32-K34 PolarHBondContact OD1-N 2.91Å
35S96.1Very high95.4Very high60 Ų6042.8 Ų42.842%0.4222%0.219SC..THydrogen-bonded Turntrans-97.5-12.9-175.169.70000114.5D32 K37D32-S35 WeakPolarHBondContact CB-OG 3.49Å; D32-S35 PolarHBondContact OD1-N 3.23Å; D32-S35 WeakPolarHBondContact OD2-CB 3.37Å; D32-S35 PolarHBondContact OD2-OG 2.96Å; S35-K37 PolarHBondContact O-N 3.46Å; S35-K37 WeakPolarHBondContact OG-CB 3.35Å; S35-K37 WeakPolarHBondContact OG-CG 3.31Å; S35-K37 PolarHBondContact OG-N 3.31Å
36G96.8Very high95.4Very high52 Ų5244.5 Ų44.554%0.53623%0.227SC..  trans70.60.5-171.800000114.1D32D32-G36 VanDerWaalsContact O-CA 3.26Å; D32-G36 WeakPolarHBondContact O-CA 3.48Å; D32-G36 PolarHBondContact O-N 3.33Å
37K97.2Very high95Very high145 Ų14544.5 Ų44.563%0.6323%0.227SC*.  trans-74.7141.5-176.5-67.9-177.1179.1-179.80111.6T31 D32 S35T31-K37 WeakPolarHBondContact CA-O 3.42Å; D32-K37 PolarHBondContact N-O 3Å; S35-K37 PolarHBondContact O-N 3.46Å; S35-K37 WeakPolarHBondContact OG-CB 3.35Å; S35-K37 WeakPolarHBondContact OG-CG 3.31Å; S35-K37 PolarHBondContact OG-N 3.31Å
38V97.8Very high94.7Very high53 Ų5343.1 Ų43.132%0.32122%0.217SC..EExtended strand (participates in β ladder)trans-78.2132171.7-179.70000109.2K29 A30 Y94K29-V38 HydrophobicContact CD-CG1 4.29Å; K29-V38 HydrophobicContact CG-CG1 3.95Å; A30-V38 WeakPolarHBondContact O-CA 3.5Å; V38-Y94 HydrophobicContact CG1-CD1 3.93Å; V38-Y94 HydrophobicContact CG1-CD2 4.03Å; V38-Y94 HydrophobicContact CG1-CG 3.65Å
39V98.1Very high94.2Very high5 Ų550.6 Ų50.63%0.0325%0.246CC..EExtended strand (participates in β ladder)trans-133.9162.3-178.6-62.70000110.7Y13 A30 L77 I91 F92Y13-V39 HydrophobicContact CD1-CG2 3.85Å; Y13-V39 HydrophobicContact CE1-CG2 4Å; A30-V39 HydrophobicContact CB-CG2 4.05Å; A30-V39 PolarHBondContact N-O 2.81Å; A30-V39 PolarHBondContact O-N 3.26Å; V39-L77 HydrophobicContact CG1-CD1 3.91Å; V39-I91 HydrophobicContact CB-CG2 3.89Å; V39-I91 HydrophobicContact CG1-CG2 4.12Å; V39-I91 HydrophobicContact CG2-CG2 3.99Å; V39-F92 WeakPolarHBondContact CB-O 3.46Å
40A97.7Very high93.7Very high11 Ų1151.1 Ų51.19%0.09125%0.25CS..EExtended strand (participates in β ladder)trans-101.3122.7166.500000109.2L19 V27 W28 F92L19-A40 HydrophobicContact CD1-CB 4.43Å; V27-A40 HydrophobicContact CG1-CB 4.27Å; W28-A40 CarbonylContact O-C 3.55Å; W28-A40 WeakPolarHBondContact O-CA 3.19Å; A40-F92 HydrophobicContact CB-CB 4.28Å; A40-F92 PolarHBondContact N-O 2.99Å; A40-F92 PolarHBondContact O-N 3.12Å
41L97.3Very high93.3Very high0 Ų055 Ų550%027%0.268CS..EExtended strand (participates in β ladder)trans-106.2115.1-179.8-179.2152.3000108.6I9 Y13 I15 V27 W28 A30 Y89 I91I9-L41 HydrophobicContact CG2-CD1 3.57Å; Y13-L41 HydrophobicContact CD2-CD1 4.2Å; Y13-L41 HydrophobicContact CG-CD1 4.15Å; I15-L41 HydrophobicContact CD1-CD1 3.85Å; V27-L41 CarbonylContact C-O 3.36Å; V27-L41 VanDerWaalsContact CA-O 3.27Å; V27-L41 WeakPolarHBondContact CA-O 3.47Å; W28-L41 HydrophobicContact CE3-CD2 3.59Å; W28-L41 HydrophobicContact CZ3-CD2 3.96Å; W28-L41 PolarHBondContact N-O 3.01Å; W28-L41 PolarHBondContact O-N 3.19Å; A30-L41 HydrophobicContact CB-CB 4.23Å; L41-Y89 HydrophobicContact CD2-CD1 3.75Å; L41-Y89 HydrophobicContact CD2-CE1 4.1Å; L41-Y89 HydrophobicContact CG-CD1 4.32Å; L41-I91 HydrophobicContact CB-CD1 4.04Å; L41-I91 HydrophobicContact CD1-CD1 3.73Å; L41-I91 HydrophobicContact CG-CD1 3.7Å
42K95.5Very high92.7Very high32 Ų3255.9 Ų55.914%0.13927%0.274CS..EExtended strand (participates in β ladder)trans-106.9115.4178.1174.7177.8171.6-172.40108.9I26 V27 I44 E60 Y89 L90 F92I26-K42 CarbonylContact O-C 3.52Å; I26-K42 WeakPolarHBondContact O-CA 3.39Å; V27-K42 HydrophobicContact CG2-CB 4.04Å; V27-K42 HydrophobicContact CG2-CD 4.48Å; V27-K42 HydrophobicContact CG2-CG 4.04Å; K42-I44 HydrophobicContact CG-CG1 4.25Å; K42-E60 VanDerWaalsContact NZ-CD 3.34Å; K42-E60 IonicContact NZ-OE1 3.32Å; K42-E60 PolarHBondContact NZ-OE1 3.05Å; K42-E60 IonicContact NZ-OE2 3.71Å; K42-E60 PolarHBondContact NZ-OE2 3.4Å; K42-Y89 CarbonylContact O-C 3.58Å; K42-Y89 WeakPolarHBondContact O-CA 3.45Å; K42-L90 HydrophobicContact CB-CB 4.32Å; K42-L90 HydrophobicContact CD-CD1 4.5Å; K42-L90 PolarHBondContact N-O 3.39Å; K42-L90 PolarHBondContact O-N 3.18Å; K42-F92 HydrophobicContact CB-CD2 4.39Å; K42-F92 HydrophobicContact CB-CE2 4.11Å; K42-F92 HydrophobicContact CD-CE2 4.05Å
43K94.6Very high92.2Very high5 Ų555.4 Ų55.42%0.02227%0.271CS..EExtended strand (participates in β ladder)trans-91.7117.7169.2-175.7-179.8-176.8178.30108.5S2 E4 D6 G25 I26 W28 F45 D87 Y89S2-K43 PolarHBondContact O-NZ 3.2Å; E4-K43 PolarHBondContact O-NZ 2.99Å; D6-K43 IonicContact OD1-NZ 3.7Å; G25-K43 CarbonylContact C-O 3.19Å; G25-K43 WeakPolarHBondContact CA-O 3.45Å; I26-K43 PolarHBondContact N-O 3.14Å; I26-K43 VanDerWaalsContact N-O 3.11Å; I26-K43 PolarHBondContact O-N 2.96Å; W28-K43 HydrophobicContact CH2-CB 4.07Å; W28-K43 HydrophobicContact CH2-CD 4.35Å; W28-K43 HydrophobicContact CZ3-CB 3.57Å; K43-F45 HydrophobicContact CD-CD1 4.07Å; K43-F45 HydrophobicContact CD-CE1 3.53Å; K43-F45 HydrophobicContact CD-CZ 4.31Å; K43-F45 HydrophobicContact CG-CD1 4.25Å; K43-F45 HydrophobicContact CG-CE1 4.07Å; K43-D87 WeakPolarHBondContact CE-OD2 3.45Å; K43-D87 IonicContact NZ-OD2 3.95Å; K43-Y89 HydrophobicContact CB-CD1 3.83Å; K43-Y89 HydrophobicContact CB-CE1 3.6Å; K43-Y89 HydrophobicContact CD-CE1 3.66Å; K43-Y89 VanDerWaalsContact CD-OH 3.32Å; K43-Y89 WeakPolarHBondContact CD-OH 3.32Å; K43-Y89 WeakPolarHBondContact CE-OH 3.22Å; K43-Y89 HydrophobicContact CG-CD1 4.06Å; K43-Y89 HydrophobicContact CG-CE1 3.55Å; K43-Y89 HydrophobicContact CG-CE2 4.4Å; K43-Y89 PolarHBondContact NZ-OH 3.31Å
44I92.2Very high91.8Very high7 Ų748.8 Ų48.84%0.03625%0.246CC..EExtended strand (participates in β ladder)trans-91.5114.3173-58.2177.8000107.7Y24 K42 A47 T57 D87 I88 L90Y24-I44 VanDerWaalsContact O-CA 3.32Å; Y24-I44 WeakPolarHBondContact O-CA 3.45Å; K42-I44 HydrophobicContact CG-CG1 4.25Å; I44-A47 HydrophobicContact CB-CB 4.42Å; I44-A47 HydrophobicContact CG2-CB 3.8Å; I44-T57 HydrophobicContact CD1-CG2 3.8Å; I44-D87 VanDerWaalsContact O-CA 3.29Å; I44-D87 WeakPolarHBondContact O-CA 3.12Å; I44-D87 WeakPolarHBondContact O-CB 3.23Å; I44-I88 PolarHBondContact N-O 3.31Å; I44-I88 PolarHBondContact O-N 3.42Å; I44-L90 HydrophobicContact CD1-CD1 3.59Å; I44-L90 HydrophobicContact CD1-CG 4.03Å
45F86.5Confident91.5Very high28 Ų2839.6 Ų39.612%0.12321%0.206CC..THydrogen-bonded Turntrans-78.1141.2179-60.9-60.2000111.3M1 S2 Y24 I26 K43 A47 D87M1-F45 HydrophobicContact SD-CB 3.92Å; M1-F45 HydrophobicContact SD-CD2 4.32Å; M1-F45 HydrophobicContact SD-CG 4.2Å; S2-F45 VanDerWaalsContact O-CE1 3.27Å; S2-F45 WeakPolarHBondContact O-CE1 3.21Å; Y24-F45 PolarHBondContact O-N 3.1Å; Y24-F45 VanDerWaalsContact O-N 3.14Å; I26-F45 HydrophobicContact CD1-CE2 3.91Å; I26-F45 HydrophobicContact CD1-CZ 3.67Å; I26-F45 HydrophobicContact CG1-CE2 3.77Å; I26-F45 HydrophobicContact CG1-CZ 3.93Å; K43-F45 HydrophobicContact CD-CD1 4.07Å; K43-F45 HydrophobicContact CD-CE1 3.53Å; K43-F45 HydrophobicContact CD-CZ 4.31Å; K43-F45 HydrophobicContact CG-CD1 4.25Å; K43-F45 HydrophobicContact CG-CE1 4.07Å; F45-A47 PolarHBondContact O-N 3.31Å; F45-D87 WeakPolarHBondContact CA-OD1 3.4Å
46D84.8Confident91.2Very high42 Ų4238 Ų3823%0.22519%0.191CC..THydrogen-bonded Turntrans42.246.1176.2-59-56.7000111.4F48 R49 R86 D87D46-F48 PolarHBondContact O-N 3.33Å; D46-R49 HydrophobicContact CB-CB 3.82Å; D46-R49 HydrophobicContact CB-CG 4.42Å; D46-R49 VanDerWaalsContact O-CB 3.23Å; D46-R49 WeakPolarHBondContact O-CB 3.06Å; D46-R49 PolarHBondContact O-N 2.88Å; D46-R86 CarbonylContact C-O 3.54Å; D46-D87 PolarHBondContact N-OD1 3.42Å
47A85.2Confident91Very high0 Ų035.9 Ų35.90%017%0.168CC..THydrogen-bonded Turntrans-54.1-21.2-178.500000112.1I44 F45 D53 A54 T57 R86 I88I44-A47 HydrophobicContact CB-CB 4.42Å; I44-A47 HydrophobicContact CG2-CB 3.8Å; F45-A47 PolarHBondContact O-N 3.31Å; A47-D53 CarbonylContact O-C 3.54Å; A47-A54 WeakPolarHBondContact O-CA 3.38Å; A47-A54 PolarHBondContact O-N 3.29Å; A47-A54 VanDerWaalsContact O-N 3.1Å; A47-T57 HydrophobicContact CB-CG2 4.19Å; A47-R86 PolarHBondContact N-O 2.85Å; A47-I88 HydrophobicContact CB-CB 4.47Å; A47-I88 HydrophobicContact CB-CD1 4.06Å; A47-I88 HydrophobicContact CB-CG1 3.94Å
48F88.3Confident90.8Very high11 Ų1129 Ų295%0.04814%0.138CC..THydrogen-bonded Turntrans-112.324.6178.5-53.5-64.2000113.8D46 A54 D85 I88 I334 R338 L341 Y342D46-F48 PolarHBondContact O-N 3.33Å; F48-A54 HydrophobicContact CD1-CB 4.2Å; F48-D85 WeakPolarHBondContact CD2-O 3.26Å; F48-I88 HydrophobicContact CE1-CD1 4.28Å; F48-I88 HydrophobicContact CE2-CD1 3.92Å; F48-I88 HydrophobicContact CE2-CG1 3.99Å; F48-I88 HydrophobicContact CZ-CD1 3.5Å; F48-I88 VanDerWaalsContact CZ-CD1 3.5Å; F48-I88 HydrophobicContact CZ-CG1 4.1Å; F48-I334 HydrophobicContact CB-CG2 3.63Å; F48-I334 HydrophobicContact CD1-CG2 4.27Å; F48-I334 HydrophobicContact CG-CG2 4.38Å; F48-I334 WeakPolarHBondContact O-CG2 3.48Å; F48-R338 HydrophobicContact CD1-CB 3.8Å; F48-R338 HydrophobicContact CD1-CG 4.23Å; F48-R338 HydrophobicContact CD2-CG 4.27Å; F48-R338 VanDerWaalsContact CE1-CA 3.41Å; F48-R338 HydrophobicContact CE1-CB 3.57Å; F48-R338 HydrophobicContact CE1-CG 3.9Å; F48-R338 HydrophobicContact CE2-CB 4.49Å; F48-R338 HydrophobicContact CE2-CG 3.92Å; F48-R338 HydrophobicContact CG-CB 4.36Å; F48-R338 HydrophobicContact CG-CG 4.39Å; F48-R338 HydrophobicContact CZ-CB 3.92Å; F48-R338 HydrophobicContact CZ-CG 3.71Å; F48-L341 HydrophobicContact CE1-CD1 4.07Å; F48-L341 HydrophobicContact CZ-CD1 4.16Å; F48-Y342 HydrophobicContact CE2-CE1 4.1Å; F48-Y342 HydrophobicContact CZ-CE1 4.13Å
49R86.3Confident90.5Very high181 Ų18126.7 Ų26.768%0.68312%0.124SC*.SBendtrans-63.7-49.1-179.4-170.9175.6169.5-171.5-3.1112.8D46D46-R49 HydrophobicContact CB-CB 3.82Å; D46-R49 HydrophobicContact CB-CG 4.42Å; D46-R49 VanDerWaalsContact O-CB 3.23Å; D46-R49 WeakPolarHBondContact O-CB 3.06Å; D46-R49 PolarHBondContact O-N 2.88Å
50N86.7Confident90.4Very high49 Ų4927 Ų2726%0.26213%0.125SC..SBendtrans-139.9169.1-178.964.356.8000108.9T52 D53 A54N50-T52 VanDerWaalsContact C-N 3.29Å; N50-T52 PolarHBondContact O-N 3.19Å; N50-T52 WeakPolarHBondContact OD1-CA 3.37Å; N50-T52 VanDerWaalsContact OD1-CB 3.32Å; N50-T52 WeakPolarHBondContact OD1-CB 3.47Å; N50-T52 PolarHBondContact OD1-N 3.46Å; N50-D53 PolarHBondContact ND2-OD2 3.07Å; N50-D53 PolarHBondContact OD1-N 3.43Å; N50-D53 PolarHBondContact OD1-OD2 3.25Å; N50-A54 WeakPolarHBondContact O-CB 3.34Å; N50-A54 PolarHBondContact O-N 3.46Å; N50-A54 VanDerWaalsContact O-N 3.14Å
51Q88Confident90.2Very high81 Ų8126.4 Ų26.438%0.37912%0.12SC..Hα-helixtrans-65.1-32.8-176.6-64.1176.330.400112.4Q55 Q331 L332 I334Q51-Q55 VanDerWaalsContact O-CB 3.24Å; Q51-Q55 WeakPolarHBondContact O-CB 3.19Å; Q51-Q55 PolarHBondContact O-N 2.86Å; Q51-Q331 VanDerWaalsContact CB-CD 3.49Å; Q51-Q331 HydrophobicContact CB-CG 3.63Å; Q51-L332 PolarHBondContact OE1-O 3.5Å; Q51-I334 HydrophobicContact CG-CG1 3.9Å
52T85.9Confident90.1Very high35 Ų3527.1 Ų27.122%0.21512%0.124CC..Hα-helixtrans-65.8-50.2178.9-53.80000111.9N50 A54 Q55 R56 E176 Q331N50-T52 VanDerWaalsContact C-N 3.29Å; N50-T52 PolarHBondContact O-N 3.19Å; N50-T52 WeakPolarHBondContact OD1-CA 3.37Å; N50-T52 VanDerWaalsContact OD1-CB 3.32Å; N50-T52 WeakPolarHBondContact OD1-CB 3.47Å; N50-T52 PolarHBondContact OD1-N 3.46Å; T52-A54 VanDerWaalsContact C-N 3.34Å; T52-Q55 PolarHBondContact O-N 2.99Å; T52-R56 VanDerWaalsContact O-CG 3.31Å; T52-R56 WeakPolarHBondContact O-CG 3.49Å; T52-R56 PolarHBondContact O-N 3.42Å; T52-E176 HydrophobicContact CG2-CG 4.48Å; T52-Q331 PolarHBondContact OG1-NE2 2.97Å
53D86.9Confident90Very high25 Ų2525.8 Ų25.813%0.13412%0.118CC..Hα-helixtrans-65.1-40.3179.8-69.3-31.1000111.1A47 N50 R56 T57A47-D53 CarbonylContact O-C 3.54Å; N50-D53 PolarHBondContact ND2-OD2 3.07Å; N50-D53 PolarHBondContact OD1-N 3.43Å; N50-D53 PolarHBondContact OD1-OD2 3.25Å; D53-R56 PolarHBondContact O-N 3.37Å; D53-T57 WeakPolarHBondContact O-CB 3.44Å; D53-T57 PolarHBondContact O-N 3.41Å; D53-T57 PolarHBondContact O-OG1 3.38Å
54A90.5Very high90.1Very high0 Ų025.6 Ų25.60%012%0.117CC..Hα-helixtrans-62-46.3175.600000111.6A47 F48 N50 T52 T57 Y58 I334 Y337A47-A54 WeakPolarHBondContact O-CA 3.38Å; A47-A54 PolarHBondContact O-N 3.29Å; A47-A54 VanDerWaalsContact O-N 3.1Å; F48-A54 HydrophobicContact CD1-CB 4.2Å; N50-A54 WeakPolarHBondContact O-CB 3.34Å; N50-A54 PolarHBondContact O-N 3.46Å; N50-A54 VanDerWaalsContact O-N 3.14Å; T52-A54 VanDerWaalsContact C-N 3.34Å; A54-T57 PolarHBondContact O-N 3.29Å; A54-Y58 VanDerWaalsContact O-CB 3.3Å; A54-Y58 WeakPolarHBondContact O-CB 3.46Å; A54-Y58 PolarHBondContact O-N 3.19Å; A54-I334 HydrophobicContact CB-CG2 4.48Å; A54-Y337 HydrophobicContact CB-CD2 3.86Å; A54-Y337 HydrophobicContact CB-CG 4.31Å
55Q89.9Confident90.1Very high9 Ų927.3 Ų27.34%0.04213%0.125CC..Hα-helixtrans-64.9-43.4178.2-171-17530.500111.8Q51 T52 Y58 R59 D328 V330 Y337Q51-Q55 VanDerWaalsContact O-CB 3.24Å; Q51-Q55 WeakPolarHBondContact O-CB 3.19Å; Q51-Q55 PolarHBondContact O-N 2.86Å; T52-Q55 PolarHBondContact O-N 2.99Å; Q55-Y58 PolarHBondContact O-N 2.81Å; Q55-R59 VanDerWaalsContact CG-NH2 3.32Å; Q55-R59 WeakPolarHBondContact O-CB 3.49Å; Q55-R59 PolarHBondContact O-N 3.28Å; Q55-D328 PolarHBondContact NE2-O 3.47Å; Q55-D328 VanDerWaalsContact NE2-O 3.09Å; Q55-D328 PolarHBondContact NE2-OD1 3.4Å; Q55-V330 PolarHBondContact NE2-O 2.91Å; Q55-Y337 HydrophobicContact CB-CD2 4.4Å; Q55-Y337 HydrophobicContact CB-CE1 4.24Å; Q55-Y337 HydrophobicContact CB-CE2 3.73Å; Q55-Y337 HydrophobicContact CG-CE1 4.03Å; Q55-Y337 HydrophobicContact CG-CE2 4.2Å; Q55-Y337 WeakPolarHBondContact CG-OH 3.32Å
56R89.6Confident90.4Very high26 Ų2627.9 Ų27.910%0.09813%0.128CC..Hα-helixtrans-62-45.4177.7-72.6-178.1-170.4-178.615.7111.9Y24 T52 D53 R59 E60 G157 E176Y24-R56 PolarHBondContact OH-NH1 3.12Å; T52-R56 VanDerWaalsContact O-CG 3.31Å; T52-R56 WeakPolarHBondContact O-CG 3.49Å; T52-R56 PolarHBondContact O-N 3.42Å; D53-R56 PolarHBondContact O-N 3.37Å; R56-R59 PolarHBondContact O-N 3.11Å; R56-E60 WeakPolarHBondContact O-CB 3.46Å; R56-E60 PolarHBondContact O-N 2.88Å; R56-G157 WeakPolarHBondContact CG-O 3.42Å; R56-E176 IonicContact CZ-OE2 3.44Å; R56-E176 IonicContact NH1-OE2 3.82Å; R56-E176 IonicContact NH2-OE2 2.7Å; R56-E176 PolarHBondContact NH2-OE2 3.15Å
57T91.9Very high90.9Very high8 Ų825.9 Ų25.95%0.04912%0.118CC..Hα-helixtrans-63.9-46178.8-55.80000111I44 A47 D53 A54 R59 E60 I61 I88 L341I44-T57 HydrophobicContact CD1-CG2 3.8Å; A47-T57 HydrophobicContact CB-CG2 4.19Å; D53-T57 WeakPolarHBondContact O-CB 3.44Å; D53-T57 PolarHBondContact O-N 3.41Å; D53-T57 PolarHBondContact O-OG1 3.38Å; A54-T57 PolarHBondContact O-N 3.29Å; T57-R59 VanDerWaalsContact C-N 3.35Å; T57-R59 PolarHBondContact O-N 3.14Å; T57-E60 PolarHBondContact O-N 3.18Å; T57-I61 HydrophobicContact CG2-CD1 3.94Å; T57-I61 WeakPolarHBondContact O-CD1 3.43Å; T57-I61 VanDerWaalsContact O-CG1 3.31Å; T57-I61 WeakPolarHBondContact O-CG1 3.41Å; T57-I61 PolarHBondContact O-N 2.9Å; T57-I88 HydrophobicContact CG2-CD1 3.77Å; T57-L341 HydrophobicContact CG2-CD1 4.33Å
58Y93.6Very high91.2Very high1 Ų129 Ų290%0.00413%0.129CC..Hα-helixtrans-55.5-50.9174.5171.1-99.4000111.6A54 Q55 I61 M62 L324 P325 L326 Y337 K340 L341A54-Y58 VanDerWaalsContact O-CB 3.3Å; A54-Y58 WeakPolarHBondContact O-CB 3.46Å; A54-Y58 PolarHBondContact O-N 3.19Å; Q55-Y58 PolarHBondContact O-N 2.81Å; Y58-I61 PolarHBondContact O-N 3.41Å; Y58-M62 HydrophobicContact CD1-CG 4.38Å; Y58-M62 HydrophobicContact CD2-CG 3.93Å; Y58-M62 HydrophobicContact CE1-CG 3.96Å; Y58-M62 HydrophobicContact CE2-CG 3.45Å; Y58-M62 VanDerWaalsContact CE2-CG 3.45Å; Y58-M62 HydrophobicContact CE2-SD 3.85Å; Y58-M62 HydrophobicContact CG-CG 4.36Å; Y58-M62 VanDerWaalsContact CZ-CG 3.47Å; Y58-M62 VanDerWaalsContact O-CG 3.3Å; Y58-M62 WeakPolarHBondContact O-CG 3.32Å; Y58-M62 PolarHBondContact O-N 3.34Å; Y58-L324 HydrophobicContact CE1-CB 4.45Å; Y58-L324 HydrophobicContact CE1-CD1 4.37Å; Y58-P325 WeakPolarHBondContact OH-CB 3.26Å; Y58-P325 VanDerWaalsContact OH-CD 3.31Å; Y58-P325 WeakPolarHBondContact OH-CD 3.42Å; Y58-L326 HydrophobicContact CD1-CD1 4.47Å; Y58-L326 HydrophobicContact CD2-CD1 4.24Å; Y58-L326 HydrophobicContact CE1-CB 3.74Å; Y58-L326 HydrophobicContact CE1-CD1 4.03Å; Y58-L326 HydrophobicContact CE1-CG 4.15Å; Y58-L326 HydrophobicContact CE2-CD1 3.78Å; Y58-L326 HydrophobicContact CE2-CG 4.2Å; Y58-L326 WeakPolarHBondContact OH-CG 3.22Å; Y58-L326 PolarHBondContact OH-N 3.33Å; Y58-Y337 AromaticContact CD1-CD1 3.81Å; Y58-Y337 HydrophobicContact CD1-CD1 3.81Å; Y58-Y337 AromaticContact CD1-CE1 3.94Å; Y58-Y337 HydrophobicContact CD1-CE1 3.94Å; Y58-Y337 HydrophobicContact CD2-CD1 4.26Å; Y58-Y337 AromaticContact CG-CD1 3.65Å; Y58-Y337 HydrophobicContact CG-CD1 3.65Å; Y58-Y337 HydrophobicContact CG-CE1 4.25Å; Y58-K340 HydrophobicContact CE2-CB 4.07Å; Y58-K340 HydrophobicContact CE2-CG 3.69Å; Y58-L341 HydrophobicContact CD2-CD2 3.9Å; Y58-L341 HydrophobicContact CD2-CG 4.03Å
59R91.8Very high91.5Very high4 Ų431.3 Ų31.32%0.01514%0.142CC..Hα-helixtrans-59.4-49.5-179.4-176.1-171.7-55.4110.77.9112.6Q55 R56 T57 I61 M62 L63 G157 A159 L324 D328Q55-R59 VanDerWaalsContact CG-NH2 3.32Å; Q55-R59 WeakPolarHBondContact O-CB 3.49Å; Q55-R59 PolarHBondContact O-N 3.28Å; R56-R59 PolarHBondContact O-N 3.11Å; T57-R59 VanDerWaalsContact C-N 3.35Å; T57-R59 PolarHBondContact O-N 3.14Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 3.44Å; R59-M62 PolarHBondContact O-N 3.21Å; R59-L63 HydrophobicContact CG-CD1 3.73Å; R59-L63 HydrophobicContact CG-CG 4.23Å; R59-L63 WeakPolarHBondContact O-CB 3.28Å; R59-L63 WeakPolarHBondContact O-CG 3.08Å; R59-L63 PolarHBondContact O-N 2.92Å; R59-G157 PolarHBondContact NH1-O 2.86Å; R59-A159 WeakPolarHBondContact CD-O 3.46Å; R59-A159 PolarHBondContact NE-O 3.28Å; R59-L324 HydrophobicContact CB-CD1 4.42Å; R59-L324 HydrophobicContact CG-CD1 3.98Å; R59-D328 IonicContact CZ-OD1 3.56Å; R59-D328 VanDerWaalsContact CZ-OD1 3.24Å; R59-D328 IonicContact CZ-OD2 3.16Å; R59-D328 IonicContact NE-OD1 2.94Å; R59-D328 PolarHBondContact NE-OD1 3.32Å; R59-D328 IonicContact NE-OD2 3.51Å; R59-D328 PolarHBondContact NE-OD2 3.05Å; R59-D328 IonicContact NH2-OD1 2.66Å; R59-D328 PolarHBondContact NH2-OD1 3.21Å; R59-D328 IonicContact NH2-OD2 3.36Å; R59-D328 PolarHBondContact NH2-OD2 2.88Å
60E94.1Very high91.9Very high11 Ų1122.7 Ų22.75%0.05111%0.109CC..Hα-helixtrans-54.5-50.3179.6-176.4178.2173.900109.9K42 R56 T57 L64 F156K42-E60 VanDerWaalsContact NZ-CD 3.34Å; K42-E60 IonicContact NZ-OE1 3.32Å; K42-E60 PolarHBondContact NZ-OE1 3.05Å; K42-E60 IonicContact NZ-OE2 3.71Å; K42-E60 PolarHBondContact NZ-OE2 3.4Å; R56-E60 WeakPolarHBondContact O-CB 3.46Å; R56-E60 PolarHBondContact O-N 2.88Å; T57-E60 PolarHBondContact O-N 3.18Å; E60-L64 HydrophobicContact CG-CD1 3.79Å; E60-L64 WeakPolarHBondContact O-CB 3.49Å; E60-L64 WeakPolarHBondContact O-CD1 3.44Å; E60-L64 WeakPolarHBondContact O-CG 3.39Å; E60-L64 PolarHBondContact O-N 2.96Å; E60-F156 HydrophobicContact CG-CB 4.39Å
61I94.9Very high92.4Very high0 Ų023.1 Ų23.10%011%0.114CC..Hα-helixtrans-62.4-51.3-178.8-64.3166.3000111T57 Y58 R59 L64 Q65 L76 V79 I88 L90 L341 F344T57-I61 HydrophobicContact CG2-CD1 3.94Å; T57-I61 WeakPolarHBondContact O-CD1 3.43Å; T57-I61 VanDerWaalsContact O-CG1 3.31Å; T57-I61 WeakPolarHBondContact O-CG1 3.41Å; T57-I61 PolarHBondContact O-N 2.9Å; Y58-I61 PolarHBondContact O-N 3.41Å; R59-I61 VanDerWaalsContact C-N 3.3Å; R59-I61 PolarHBondContact O-N 3.44Å; I61-L64 PolarHBondContact O-N 3.39Å; I61-Q65 WeakPolarHBondContact O-CG 3.33Å; I61-Q65 PolarHBondContact O-N 3.29Å; I61-Q65 VanDerWaalsContact O-N 3.13Å; I61-L76 HydrophobicContact CB-CD2 4.45Å; I61-L76 HydrophobicContact CG1-CD2 4.48Å; I61-L76 HydrophobicContact CG2-CD2 4.06Å; I61-V79 HydrophobicContact CD1-CG1 4.14Å; I61-V79 HydrophobicContact CG2-CG2 3.87Å; I61-I88 HydrophobicContact CD1-CD1 4.49Å; I61-I88 HydrophobicContact CD1-CG2 4.38Å; I61-L90 HydrophobicContact CD1-CD2 3.81Å; I61-L90 HydrophobicContact CG1-CD1 4.32Å; I61-L90 HydrophobicContact CG1-CD2 3.74Å; I61-L341 HydrophobicContact CB-CD2 4.17Å; I61-L341 HydrophobicContact CD1-CD1 4.05Å; I61-L341 HydrophobicContact CD1-CD2 3.62Å; I61-L341 HydrophobicContact CD1-CG 4.47Å; I61-L341 HydrophobicContact CG2-CD2 4.17Å; I61-F344 HydrophobicContact CG2-CD1 4.27Å; I61-F344 HydrophobicContact CG2-CE1 4.06Å
62M94.4Very high92.9Very high15 Ų1519.5 Ų19.57%0.07410%0.098CC..Hα-helixtrans-66.7-40.2-175.5-62.4-6596.700112.5Y58 R59 Q65 E66 L324 P325 L341 F344Y58-M62 HydrophobicContact CD1-CG 4.38Å; Y58-M62 HydrophobicContact CD2-CG 3.93Å; Y58-M62 HydrophobicContact CE1-CG 3.96Å; Y58-M62 HydrophobicContact CE2-CG 3.45Å; Y58-M62 VanDerWaalsContact CE2-CG 3.45Å; Y58-M62 HydrophobicContact CE2-SD 3.85Å; Y58-M62 HydrophobicContact CG-CG 4.36Å; Y58-M62 VanDerWaalsContact CZ-CG 3.47Å; Y58-M62 VanDerWaalsContact O-CG 3.3Å; Y58-M62 WeakPolarHBondContact O-CG 3.32Å; Y58-M62 PolarHBondContact O-N 3.34Å; R59-M62 PolarHBondContact O-N 3.21Å; M62-Q65 PolarHBondContact O-N 3.48Å; M62-E66 PolarHBondContact O-N 3.48Å; M62-L324 HydrophobicContact CB-CD2 3.8Å; M62-P325 HydrophobicContact SD-CG 4.37Å; M62-L341 HydrophobicContact CE-CD2 4.04Å; M62-F344 HydrophobicContact CE-CB 4.12Å; M62-F344 HydrophobicContact CE-CD1 4.19Å; M62-F344 HydrophobicContact CE-CD2 3.73Å; M62-F344 HydrophobicContact CE-CE2 4.25Å; M62-F344 HydrophobicContact CE-CG 3.71Å
63L94.3Very high93.5Very high4 Ų417.9 Ų17.92%0.0219%0.088CC..Hα-helixtrans-64.2-44.5176.2-76.1177.4000111.5R59 Q65 E66 L67 V133 F156 A159 I322 L324R59-L63 HydrophobicContact CG-CD1 3.73Å; R59-L63 HydrophobicContact CG-CG 4.23Å; R59-L63 WeakPolarHBondContact O-CB 3.28Å; R59-L63 WeakPolarHBondContact O-CG 3.08Å; R59-L63 PolarHBondContact O-N 2.92Å; L63-Q65 PolarHBondContact O-N 3.28Å; L63-E66 PolarHBondContact O-N 3.36Å; L63-E66 VanDerWaalsContact O-N 3.11Å; L63-L67 HydrophobicContact CB-CD1 4.25Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 WeakPolarHBondContact O-CG 3.23Å; L63-L67 PolarHBondContact O-N 3.1Å; L63-V133 HydrophobicContact CD2-CG2 4.21Å; L63-F156 HydrophobicContact CB-CB 4.46Å; L63-F156 HydrophobicContact CD1-CB 4.35Å; L63-A159 HydrophobicContact CD1-CB 3.53Å; L63-I322 HydrophobicContact CD2-CG2 3.82Å; L63-L324 HydrophobicContact CD2-CD2 3.85Å; L63-L324 HydrophobicContact CG-CD2 4.12Å
64L95.5Very high94Very high1 Ų116.9 Ų16.91%0.0058%0.082CC..Hα-helixtrans-60.7-33.4177.8-75.5166.7000112.3E60 I61 L67 R68 I73 I74 L76 F92 F156E60-L64 HydrophobicContact CG-CD1 3.79Å; E60-L64 WeakPolarHBondContact O-CB 3.49Å; E60-L64 WeakPolarHBondContact O-CD1 3.44Å; E60-L64 WeakPolarHBondContact O-CG 3.39Å; E60-L64 PolarHBondContact O-N 2.96Å; I61-L64 PolarHBondContact O-N 3.39Å; L64-L67 PolarHBondContact O-N 3.14Å; L64-R68 WeakPolarHBondContact O-CB 3.24Å; L64-R68 PolarHBondContact O-N 2.94Å; L64-R68 VanDerWaalsContact O-N 3.09Å; L64-I73 HydrophobicContact CD2-CG2 4.24Å; L64-I74 HydrophobicContact CD2-CG2 3.7Å; L64-I74 WeakPolarHBondContact CD2-O 3.3Å; L64-L76 HydrophobicContact CB-CB 4.05Å; L64-L76 HydrophobicContact CB-CD2 4.15Å; L64-L76 HydrophobicContact CD1-CB 4.23Å; L64-L76 HydrophobicContact CD1-CD2 4.22Å; L64-F92 HydrophobicContact CD1-CE1 3.64Å; L64-F92 HydrophobicContact CD1-CZ 4Å; L64-F156 HydrophobicContact CD2-CD2 3.58Å; L64-F156 HydrophobicContact CD2-CE2 3.8Å; L64-F156 HydrophobicContact CD2-CG 4.49Å; L64-F156 HydrophobicContact CG-CD2 4.05Å
65Q92.7Very high94.3Very high42 Ų4221 Ų2120%0.19610%0.1CC..Hα-helixtrans-65.5-42.5174-69.6-57.9-36.900112.5I61 M62 L63 R68 F344 N357I61-Q65 WeakPolarHBondContact O-CG 3.33Å; I61-Q65 PolarHBondContact O-N 3.29Å; I61-Q65 VanDerWaalsContact O-N 3.13Å; M62-Q65 PolarHBondContact O-N 3.48Å; L63-Q65 PolarHBondContact O-N 3.28Å; Q65-R68 VanDerWaalsContact O-CD 3.3Å; Q65-R68 WeakPolarHBondContact O-CD 3.44Å; Q65-R68 VanDerWaalsContact O-CG 3.31Å; Q65-R68 WeakPolarHBondContact O-CG 3.49Å; Q65-F344 HydrophobicContact CG-CE2 3.71Å; Q65-F344 HydrophobicContact CG-CZ 3.62Å; Q65-N357 PolarHBondContact O-ND2 2.94Å
66E92.4Very high94.6Very high41 Ų4121.2 Ų21.219%0.19210%0.102CC..Hα-helixtrans-69.7-35176.8-71.3-66120.600112.1M62 L63 I322 K360M62-E66 PolarHBondContact O-N 3.48Å; L63-E66 PolarHBondContact O-N 3.36Å; L63-E66 VanDerWaalsContact O-N 3.11Å; E66-I322 HydrophobicContact CB-CD1 3.76Å; E66-I322 HydrophobicContact CB-CG1 4.06Å; E66-I322 HydrophobicContact CB-CG2 4.23Å; E66-I322 HydrophobicContact CG-CG1 4.49Å; E66-I322 HydrophobicContact CG-CG2 4.07Å; E66-K360 IonicContact OE1-NZ 3.5Å; E66-K360 PolarHBondContact OE1-NZ 3.41Å; E66-K360 IonicContact OE2-NZ 2.71Å; E66-K360 PolarHBondContact OE2-NZ 3.26Å
67L94.9Very high94.9Very high0 Ų024.5 Ų24.50%012%0.121CC..Hα-helixtrans-89.9-5.9-172.9-63.3168.9000114.8L63 L64 L69 H70 I73 Y127 L128 F156 I322L63-L67 HydrophobicContact CB-CD1 4.25Å; L63-L67 WeakPolarHBondContact O-CB 3.42Å; L63-L67 WeakPolarHBondContact O-CG 3.23Å; L63-L67 PolarHBondContact O-N 3.1Å; L64-L67 PolarHBondContact O-N 3.14Å; L67-L69 PolarHBondContact O-N 3.37Å; L67-H70 PolarHBondContact O-N 3.35Å; L67-I73 HydrophobicContact CB-CG2 4.04Å; L67-Y127 HydrophobicContact CB-CE1 4.1Å; L67-Y127 HydrophobicContact CD2-CD1 3.82Å; L67-Y127 HydrophobicContact CD2-CE1 3.5Å; L67-Y127 HydrophobicContact CG-CE1 4.43Å; L67-L128 HydrophobicContact CD1-CD2 3.4Å; L67-L128 VanDerWaalsContact CD1-CD2 3.4Å; L67-L128 HydrophobicContact CD2-CD2 3.7Å; L67-L128 HydrophobicContact CG-CD2 4.17Å; L67-F156 HydrophobicContact CD1-CD1 4Å; L67-F156 HydrophobicContact CD1-CE1 3.77Å; L67-F156 HydrophobicContact CD1-CZ 4.33Å; L67-I322 HydrophobicContact CD2-CD1 3.55Å; L67-I322 HydrophobicContact CG-CD1 4.02Å
68R93.5Very high95.1Very high66 Ų6626.5 Ų26.525%0.24913%0.129CC..THydrogen-bonded Turntrans-55.9-15.6-17070.4-172.3-179.8108.5-2.4117.5L64 Q65 S353 S354 N357L64-R68 WeakPolarHBondContact O-CB 3.24Å; L64-R68 PolarHBondContact O-N 2.94Å; L64-R68 VanDerWaalsContact O-N 3.09Å; Q65-R68 VanDerWaalsContact O-CD 3.3Å; Q65-R68 WeakPolarHBondContact O-CD 3.44Å; Q65-R68 VanDerWaalsContact O-CG 3.31Å; Q65-R68 WeakPolarHBondContact O-CG 3.49Å; R68-S353 PolarHBondContact NH2-O 3.43Å; R68-S354 PolarHBondContact NH2-O 3.43Å; R68-N357 PolarHBondContact NE-ND2 3.34Å
69L93.4Very high95.2Very high59 Ų5926.5 Ų26.531%0.30913%0.129SC..THydrogen-bonded Turntrans-83.4-17.5-176.3-67.5-179.2000113.5L67 N357 V361L67-L69 PolarHBondContact O-N 3.37Å; L69-N357 HydrophobicContact CD1-CB 3.87Å; L69-N357 WeakPolarHBondContact CD1-O 3.46Å; L69-N357 HydrophobicContact CG-CB 4.36Å; L69-V361 HydrophobicContact CB-CG2 3.92Å; L69-V361 HydrophobicContact CD1-CB 4.39Å; L69-V361 HydrophobicContact CD1-CG2 3.57Å; L69-V361 HydrophobicContact CG-CG2 4.36Å
70H96Very high95.3Very high0 Ų027 Ų270%013%0.132CC..SBendtrans-81.3132.7-179.8-167.7-80.9000111.5L67 N72 I73 C123 Y127L67-H70 PolarHBondContact O-N 3.35Å; H70-N72 VanDerWaalsContact C-N 3.3Å; H70-N72 PolarHBondContact CE1-OD1 2.53Å; H70-N72 PolarHBondContact ND1-N 3.34Å; H70-N72 PolarHBondContact O-N 3.44Å; H70-I73 HydrophobicContact CB-CB 4.29Å; H70-I73 HydrophobicContact CB-CG1 3.67Å; H70-I73 PolarHBondContact O-N 3.3Å; H70-C123 PolarHBondContact NE2-O 2.8Å; H70-Y127 HydrophobicContact CB-CD1 3.48Å; H70-Y127 VanDerWaalsContact CB-CD1 3.48Å; H70-Y127 HydrophobicContact CB-CD2 4.31Å; H70-Y127 HydrophobicContact CB-CE1 3.54Å; H70-Y127 HydrophobicContact CB-CE2 4.36Å; H70-Y127 HydrophobicContact CB-CG 3.88Å; H70-Y127 WeakPolarHBondContact CD2-CB 3.47Å; H70-Y127 AromaticContact CD2-CD1 3.87Å; H70-Y127 AromaticContact CD2-CD2 3.66Å; H70-Y127 AromaticContact CD2-CG 3.35Å; H70-Y127 AromaticContact CG-CD1 3.81Å; H70-Y127 AromaticContact CG-CG 3.79Å
71P96.2Very high95.3Very high57 Ų5729.7 Ų29.737%0.3714%0.143SC..THydrogen-bonded Turntrans-63.4-34.7-176.623.9-33.6000113.2I73 K152P71-I73 VanDerWaalsContact C-N 3.35Å; P71-I73 PolarHBondContact O-N 2.95Å; P71-K152 PolarHBondContact O-NZ 3.11Å
72N98.2Very high95Very high6 Ų629.9 Ų29.93%0.03215%0.145CC..THydrogen-bonded Turntrans-90.516.2-179.9-50.7111.8000115.3H70 Q120 A124 V151 K152 L153H70-N72 VanDerWaalsContact C-N 3.3Å; H70-N72 PolarHBondContact CE1-OD1 2.53Å; H70-N72 PolarHBondContact ND1-N 3.34Å; H70-N72 PolarHBondContact O-N 3.44Å; N72-Q120 PolarHBondContact ND2-OE1 3.24Å; N72-Q120 VanDerWaalsContact ND2-OE1 3.1Å; N72-A124 HydrophobicContact CB-CB 3.9Å; N72-V151 WeakPolarHBondContact CA-O 3.38Å; N72-V151 WeakPolarHBondContact CB-O 3.19Å; N72-V151 PolarHBondContact ND2-O 3.39Å; N72-K152 WeakPolarHBondContact O-CA 3.47Å; N72-L153 PolarHBondContact O-N 3.41Å
73I98.2Very high94.6Very high0 Ų034.3 Ų34.30%017%0.172CC..BIsolated β-bridgetrans-109.8138.5169-56.5-67.4000107.9L64 L67 H70 P71 K75 A124 Y127 L128 L153 F156L64-I73 HydrophobicContact CD2-CG2 4.24Å; L67-I73 HydrophobicContact CB-CG2 4.04Å; H70-I73 HydrophobicContact CB-CB 4.29Å; H70-I73 HydrophobicContact CB-CG1 3.67Å; H70-I73 PolarHBondContact O-N 3.3Å; P71-I73 VanDerWaalsContact C-N 3.35Å; P71-I73 PolarHBondContact O-N 2.95Å; I73-K75 PolarHBondContact O-N 3.2Å; I73-A124 HydrophobicContact CD1-CB 4.11Å; I73-Y127 HydrophobicContact CG1-CD1 4.29Å; I73-L128 HydrophobicContact CD1-CD2 4.13Å; I73-L128 HydrophobicContact CD1-CG 4.43Å; I73-L153 HydrophobicContact CD1-CB 4.24Å; I73-L153 HydrophobicContact CD1-CD2 4.4Å; I73-F156 HydrophobicContact CD1-CZ 3.88Å; I73-F156 HydrophobicContact CG2-CE2 4.03Å; I73-F156 HydrophobicContact CG2-CZ 3.99Å
74I98Very high94Very high4 Ų436.6 Ų36.62%0.02120%0.197CC..  trans-62.3130.9178.3-166.365000111.1L64 L76 F92 E93 M95 L144 K152 L153 A154L64-I74 HydrophobicContact CD2-CG2 3.7Å; L64-I74 WeakPolarHBondContact CD2-O 3.3Å; I74-L76 PolarHBondContact O-N 3.34Å; I74-F92 HydrophobicContact CG1-CB 4.27Å; I74-F92 HydrophobicContact CG1-CD1 3.74Å; I74-F92 HydrophobicContact CG1-CE1 4.46Å; I74-F92 HydrophobicContact CG1-CG 4.34Å; I74-F92 HydrophobicContact CG2-CD1 4.14Å; I74-F92 HydrophobicContact CG2-CE1 4.06Å; I74-E93 HydrophobicContact CD1-CG 3.52Å; I74-E93 HydrophobicContact CG1-CG 4.44Å; I74-M95 HydrophobicContact CD1-CG 3.85Å; I74-L144 HydrophobicContact CD1-CD1 3.95Å; I74-L144 HydrophobicContact CG1-CD1 4.29Å; I74-K152 HydrophobicContact CB-CB 4.34Å; I74-K152 HydrophobicContact CD1-CB 4.13Å; I74-K152 HydrophobicContact CD1-CD 3.8Å; I74-L153 WeakPolarHBondContact CB-O 3.45Å; I74-L153 WeakPolarHBondContact CG2-O 3.4Å; I74-L153 PolarHBondContact N-O 3.1Å; I74-A154 HydrophobicContact CB-CB 4.18Å; I74-A154 HydrophobicContact CG2-CB 3.81Å
75K97Very high93.1Very high87 Ų8739.5 Ų39.538%0.37821%0.212SC..  trans-83.9116.2177.8-67.8170.3-176.7175.40110.8I73 L77 F92 E93I73-K75 PolarHBondContact O-N 3.2Å; K75-L77 HydrophobicContact CB-CD2 4.16Å; K75-L77 PolarHBondContact O-N 3.06Å; K75-F92 VanDerWaalsContact O-CA 3.31Å; K75-F92 WeakPolarHBondContact O-CA 3.5Å; K75-E93 HydrophobicContact CB-CG 4.12Å; K75-E93 WeakPolarHBondContact CB-OE1 3.38Å; K75-E93 WeakPolarHBondContact CD-OE1 3.32Å; K75-E93 WeakPolarHBondContact CG-OE1 3.29Å; K75-E93 PolarHBondContact N-OE1 2.84Å; K75-E93 PolarHBondContact O-N 2.67Å; K75-E93 VanDerWaalsContact O-N 3.09Å
76L96.8Very high92.6Very high13 Ų1345.5 Ų45.57%0.06823%0.233CC..EExtended strand (participates in β ladder)trans-76.3110162.5-17960000108.8I61 L64 I74 V79 L90 F92I61-L76 HydrophobicContact CB-CD2 4.45Å; I61-L76 HydrophobicContact CG1-CD2 4.48Å; I61-L76 HydrophobicContact CG2-CD2 4.06Å; L64-L76 HydrophobicContact CB-CB 4.05Å; L64-L76 HydrophobicContact CB-CD2 4.15Å; L64-L76 HydrophobicContact CD1-CB 4.23Å; L64-L76 HydrophobicContact CD1-CD2 4.22Å; I74-L76 PolarHBondContact O-N 3.34Å; L76-V79 HydrophobicContact CD1-CG2 4.27Å; L76-V79 HydrophobicContact CD2-CG2 3.81Å; L76-V79 HydrophobicContact CG-CG2 4.22Å; L76-L90 HydrophobicContact CD1-CB 3.88Å; L76-L90 HydrophobicContact CD1-CD2 4.15Å; L76-L90 HydrophobicContact CD1-CG 4.47Å; L76-F92 HydrophobicContact CB-CD1 4.23Å; L76-F92 HydrophobicContact CB-CE1 4.03Å; L76-F92 HydrophobicContact CD1-CD1 4.21Å; L76-F92 HydrophobicContact CD1-CE1 3.91Å; L76-F92 HydrophobicContact CD1-CE2 4.26Å; L76-F92 HydrophobicContact CD1-CZ 3.93Å
77L95.6Very high92.4Very high95 Ų9544.6 Ų44.650%0.49723%0.23SC..EExtended strand (participates in β ladder)trans-83.7-40.7-176.6-55.4179.3000112.1V39 K75 I91V39-L77 HydrophobicContact CG1-CD1 3.91Å; K75-L77 HydrophobicContact CB-CD2 4.16Å; K75-L77 PolarHBondContact O-N 3.06Å; L77-I91 WeakPolarHBondContact CA-O 3.4Å; L77-I91 HydrophobicContact CB-CG2 4.35Å; L77-I91 WeakPolarHBondContact CB-O 3.35Å; L77-I91 HydrophobicContact CD1-CG2 4.44Å; L77-I91 PolarHBondContact N-O 2.81Å
78K95.4Very high92.4Very high51 Ų5144.6 Ų44.622%0.22223%0.23CC..EExtended strand (participates in β ladder)trans-155.6149.3-177-162.3171.9-176.3178.60111.6I80 I91K78-I80 HydrophobicContact CD-CD1 4.11Å; K78-I80 HydrophobicContact CD-CG1 4.02Å; K78-I80 HydrophobicContact CG-CD1 4.47Å; K78-I80 HydrophobicContact CG-CG1 3.97Å; K78-I91 HydrophobicContact CB-CB 4Å; K78-I91 HydrophobicContact CB-CG1 4.07Å; K78-I91 PolarHBondContact N-O 3.08Å; K78-I91 PolarHBondContact O-N 3.03Å
79V96Very high92.5Very high0 Ų041.4 Ų41.40%022%0.218CC..EExtended strand (participates in β ladder)trans-117.1130.2170-176.20000108.3I61 L76 I88 Y89 L90 F344 I345 Q348I61-V79 HydrophobicContact CD1-CG1 4.14Å; I61-V79 HydrophobicContact CG2-CG2 3.87Å; L76-V79 HydrophobicContact CD1-CG2 4.27Å; L76-V79 HydrophobicContact CD2-CG2 3.81Å; L76-V79 HydrophobicContact CG-CG2 4.22Å; V79-I88 HydrophobicContact CG1-CG2 3.73Å; V79-Y89 WeakPolarHBondContact CA-O 3.36Å; V79-L90 HydrophobicContact CB-CD2 4.31Å; V79-L90 HydrophobicContact CG1-CD2 3.88Å; V79-L90 HydrophobicContact CG2-CD2 3.85Å; V79-F344 HydrophobicContact CB-CE1 4.09Å; V79-F344 HydrophobicContact CG2-CD1 4.43Å; V79-F344 HydrophobicContact CG2-CE1 3.71Å; V79-I345 HydrophobicContact CB-CG1 4.03Å; V79-I345 HydrophobicContact CG1-CD1 3.76Å; V79-I345 HydrophobicContact CG1-CG1 3.68Å; V79-Q348 PolarHBondContact O-NE2 3.3Å; V79-Q348 PolarHBondContact O-OE1 2.93Å
80I95Very high92.6Very high16 Ų1638.6 Ų38.68%0.08220%0.203CC..EExtended strand (participates in β ladder)trans-129.5133.7-176.3-46.6171.5000109.3I9 Y13 K78 Y89 I91I9-I80 HydrophobicContact CD1-CB 3.98Å; I9-I80 HydrophobicContact CD1-CD1 4.07Å; I9-I80 HydrophobicContact CD1-CG2 3.46Å; I9-I80 VanDerWaalsContact CD1-CG2 3.46Å; Y13-I80 HydrophobicContact CE2-CD1 3.58Å; K78-I80 HydrophobicContact CD-CD1 4.11Å; K78-I80 HydrophobicContact CD-CG1 4.02Å; K78-I80 HydrophobicContact CG-CD1 4.47Å; K78-I80 HydrophobicContact CG-CG1 3.97Å; I80-Y89 PolarHBondContact N-O 3.08Å; I80-Y89 PolarHBondContact O-N 2.82Å; I80-I91 HydrophobicContact CD1-CD1 4.29Å; I80-I91 HydrophobicContact CD1-CG1 3.96Å
81K92.4Very high92.6Very high67 Ų6738.7 Ų38.729%0.29120%0.203SC..EExtended strand (participates in β ladder)trans-73.1135.1174.2-176.1178.7173.4-179.80110.2H8 D85 Y342 I345H8-K81 PolarHBondContact NE2-O 2.88Å; K81-D85 WeakPolarHBondContact CE-OD1 3.4Å; K81-D85 WeakPolarHBondContact CE-OD2 3.32Å; K81-D85 IonicContact NZ-OD1 2.84Å; K81-D85 PolarHBondContact NZ-OD1 3.17Å; K81-D85 IonicContact NZ-OD2 2.68Å; K81-D85 PolarHBondContact NZ-OD2 3.39Å; K81-Y342 HydrophobicContact CD-CD1 4.21Å; K81-Y342 HydrophobicContact CD-CD2 4.36Å; K81-Y342 HydrophobicContact CD-CE1 3.83Å; K81-Y342 HydrophobicContact CD-CE2 4Å; K81-Y342 HydrophobicContact CD-CG 4.47Å; K81-Y342 VanDerWaalsContact CE-CE2 3.5Å; K81-Y342 VanDerWaalsContact CE-CZ 3.4Å; K81-Y342 WeakPolarHBondContact CE-OH 3.46Å; K81-Y342 HydrophobicContact CG-CE1 3.88Å; K81-I345 HydrophobicContact CB-CD1 4.26Å
82A89.6Confident92.7Very high4 Ų436.8 Ų36.83%0.03319%0.189CC..PPolyproline II helixtrans-80.8164.6171.900000112.4D6 D87 Y89D6-A82 VanDerWaalsContact OD2-CA 3.24Å; D6-A82 WeakPolarHBondContact OD2-CA 2.89Å; D6-A82 VanDerWaalsContact OD2-CB 3.32Å; D6-A82 WeakPolarHBondContact OD2-CB 3.32Å; A82-D87 HydrophobicContact CB-CB 3.51Å; A82-D87 WeakPolarHBondContact CB-O 3.3Å; A82-D87 PolarHBondContact N-O 3.14Å; A82-Y89 HydrophobicContact CB-CD2 3.92Å; A82-Y89 HydrophobicContact CB-CE2 3.53Å
83V85.6Confident92.7Very high108 Ų10838.4 Ų38.466%0.65520%0.197SC*.THydrogen-bonded Turntrans-64.4134.9169.4-178.10000109.5D6D6-V83 HydrophobicContact CB-CG2 4.06Å; D6-V83 PolarHBondContact OD2-N 2.67Å
84G82.5Confident92.6Very high52 Ų5240.1 Ų40.154%0.53620%0.203SC..THydrogen-bonded Turntrans83.59.6175.300000115.8R86G84-R86 WeakPolarHBondContact O-CG 3.31Å; G84-R86 PolarHBondContact O-N 3.45Å; G84-R86 VanDerWaalsContact O-N 3.15Å
85D76.1Confident92.6Very high61 Ų6140.8 Ų40.833%0.32621%0.207SC..SBendtrans62.721.5167.1-65.524.5000115.7F48 K81 Y342F48-D85 WeakPolarHBondContact CD2-O 3.26Å; K81-D85 WeakPolarHBondContact CE-OD1 3.4Å; K81-D85 WeakPolarHBondContact CE-OD2 3.32Å; K81-D85 IonicContact NZ-OD1 2.84Å; K81-D85 PolarHBondContact NZ-OD1 3.17Å; K81-D85 IonicContact NZ-OD2 2.68Å; K81-D85 PolarHBondContact NZ-OD2 3.39Å; D85-Y342 WeakPolarHBondContact CA-OH 3.45Å; D85-Y342 HydrophobicContact CB-CE2 4.48Å; D85-Y342 VanDerWaalsContact CB-OH 3.31Å; D85-Y342 WeakPolarHBondContact CB-OH 3.48Å; D85-Y342 PolarHBondContact O-OH 3.11Å
86R81.6Confident92.5Very high168 Ų16839.8 Ų39.863%0.63421%0.205SC*.SBendtrans-107.6-39.3-178.6-68.2179.1-168.4-169.23.1113.8D46 A47 G84D46-R86 CarbonylContact C-O 3.54Å; A47-R86 PolarHBondContact N-O 2.85Å; G84-R86 WeakPolarHBondContact O-CG 3.31Å; G84-R86 PolarHBondContact O-N 3.45Å; G84-R86 VanDerWaalsContact O-N 3.15Å
87D88.6Confident92.5Very high22 Ų2241 Ų4112%0.11821%0.213CC..  trans-104.8158-174.6-59.6-16.8000111.1K43 I44 F45 D46 A82K43-D87 WeakPolarHBondContact CE-OD2 3.45Å; K43-D87 IonicContact NZ-OD2 3.95Å; I44-D87 VanDerWaalsContact O-CA 3.29Å; I44-D87 WeakPolarHBondContact O-CA 3.12Å; I44-D87 WeakPolarHBondContact O-CB 3.23Å; F45-D87 WeakPolarHBondContact CA-OD1 3.4Å; D46-D87 PolarHBondContact N-OD1 3.42Å; A82-D87 HydrophobicContact CB-CB 3.51Å; A82-D87 WeakPolarHBondContact CB-O 3.3Å; A82-D87 PolarHBondContact N-O 3.14Å
88I93.9Very high92.5Very high0 Ų037.9 Ų37.90%020%0.197CC..EExtended strand (participates in β ladder)trans-129.4134.2173.6-58.7-177.5000109I44 A47 F48 T57 I61 V79 L90 L341I44-I88 PolarHBondContact N-O 3.31Å; I44-I88 PolarHBondContact O-N 3.42Å; A47-I88 HydrophobicContact CB-CB 4.47Å; A47-I88 HydrophobicContact CB-CD1 4.06Å; A47-I88 HydrophobicContact CB-CG1 3.94Å; F48-I88 HydrophobicContact CE1-CD1 4.28Å; F48-I88 HydrophobicContact CE2-CD1 3.92Å; F48-I88 HydrophobicContact CE2-CG1 3.99Å; F48-I88 HydrophobicContact CZ-CD1 3.5Å; F48-I88 VanDerWaalsContact CZ-CD1 3.5Å; F48-I88 HydrophobicContact CZ-CG1 4.1Å; T57-I88 HydrophobicContact CG2-CD1 3.77Å; I61-I88 HydrophobicContact CD1-CD1 4.49Å; I61-I88 HydrophobicContact CD1-CG2 4.38Å; V79-I88 HydrophobicContact CG1-CG2 3.73Å; I88-L90 HydrophobicContact CG2-CD2 3.86Å; I88-L90 HydrophobicContact CG2-CG 4.5Å; I88-L341 HydrophobicContact CD1-CD1 3.56Å
89Y95.5Very high92.6Very high0 Ų035.4 Ų35.40%019%0.187CC..EExtended strand (participates in β ladder)trans-99127.7171.7-67.3-91.4000110.1V5 D6 I9 L41 K42 K43 V79 I80 A82V5-Y89 HydrophobicContact CG1-CE1 4.1Å; D6-Y89 PolarHBondContact N-OH 3.15Å; D6-Y89 VanDerWaalsContact N-OH 3.07Å; D6-Y89 PolarHBondContact OD1-OH 2.94Å; D6-Y89 WeakPolarHBondContact OD2-CE2 3.39Å; I9-Y89 HydrophobicContact CD1-CD2 3.81Å; I9-Y89 HydrophobicContact CD1-CE2 4.21Å; I9-Y89 HydrophobicContact CD1-CG 4.02Å; I9-Y89 HydrophobicContact CG1-CD1 4.34Å; I9-Y89 HydrophobicContact CG1-CD2 3.83Å; I9-Y89 HydrophobicContact CG1-CE1 4.23Å; I9-Y89 HydrophobicContact CG1-CE2 3.73Å; I9-Y89 HydrophobicContact CG1-CG 4.14Å; I9-Y89 HydrophobicContact CG2-CD1 4.23Å; I9-Y89 HydrophobicContact CG2-CE1 4.29Å; L41-Y89 HydrophobicContact CD2-CD1 3.75Å; L41-Y89 HydrophobicContact CD2-CE1 4.1Å; L41-Y89 HydrophobicContact CG-CD1 4.32Å; K42-Y89 CarbonylContact O-C 3.58Å; K42-Y89 WeakPolarHBondContact O-CA 3.45Å; K43-Y89 HydrophobicContact CB-CD1 3.83Å; K43-Y89 HydrophobicContact CB-CE1 3.6Å; K43-Y89 HydrophobicContact CD-CE1 3.66Å; K43-Y89 VanDerWaalsContact CD-OH 3.32Å; K43-Y89 WeakPolarHBondContact CD-OH 3.32Å; K43-Y89 WeakPolarHBondContact CE-OH 3.22Å; K43-Y89 HydrophobicContact CG-CD1 4.06Å; K43-Y89 HydrophobicContact CG-CE1 3.55Å; K43-Y89 HydrophobicContact CG-CE2 4.4Å; K43-Y89 PolarHBondContact NZ-OH 3.31Å; V79-Y89 WeakPolarHBondContact CA-O 3.36Å; I80-Y89 PolarHBondContact N-O 3.08Å; I80-Y89 PolarHBondContact O-N 2.82Å; A82-Y89 HydrophobicContact CB-CD2 3.92Å; A82-Y89 HydrophobicContact CB-CE2 3.53Å
90L96.3Very high92.6Very high0 Ų038.9 Ų38.90%020%0.203CC..EExtended strand (participates in β ladder)trans-112124.4174-57.1-173.9000109.3K42 I44 I61 L76 V79 I88 F92K42-L90 HydrophobicContact CB-CB 4.32Å; K42-L90 HydrophobicContact CD-CD1 4.5Å; K42-L90 PolarHBondContact N-O 3.39Å; K42-L90 PolarHBondContact O-N 3.18Å; I44-L90 HydrophobicContact CD1-CD1 3.59Å; I44-L90 HydrophobicContact CD1-CG 4.03Å; I61-L90 HydrophobicContact CD1-CD2 3.81Å; I61-L90 HydrophobicContact CG1-CD1 4.32Å; I61-L90 HydrophobicContact CG1-CD2 3.74Å; L76-L90 HydrophobicContact CD1-CB 3.88Å; L76-L90 HydrophobicContact CD1-CD2 4.15Å; L76-L90 HydrophobicContact CD1-CG 4.47Å; V79-L90 HydrophobicContact CB-CD2 4.31Å; V79-L90 HydrophobicContact CG1-CD2 3.88Å; V79-L90 HydrophobicContact CG2-CD2 3.85Å; I88-L90 HydrophobicContact CG2-CD2 3.86Å; I88-L90 HydrophobicContact CG2-CG 4.5Å; L90-F92 HydrophobicContact CB-CD2 4.07Å; L90-F92 HydrophobicContact CB-CE2 3.35Å; L90-F92 HydrophobicContact CB-CZ 3.96Å; L90-F92 HydrophobicContact CD1-CE2 3.96Å; L90-F92 HydrophobicContact CD1-CZ 3.88Å; L90-F92 HydrophobicContact CG-CE2 4.31Å
91I97.3Very high92.6Very high1 Ų141.5 Ų41.51%0.00522%0.217CC..EExtended strand (participates in β ladder)trans-103.1117.9178.5-49.9-58.3000108Y13 V39 L41 L77 K78 I80Y13-I91 HydrophobicContact CD2-CD1 4.4Å; Y13-I91 HydrophobicContact CE1-CD1 4.29Å; Y13-I91 HydrophobicContact CE1-CG1 4.41Å; Y13-I91 HydrophobicContact CE1-CG2 4.03Å; Y13-I91 HydrophobicContact CE2-CD1 3.97Å; Y13-I91 HydrophobicContact CE2-CG1 4.2Å; V39-I91 HydrophobicContact CB-CG2 3.89Å; V39-I91 HydrophobicContact CG1-CG2 4.12Å; V39-I91 HydrophobicContact CG2-CG2 3.99Å; L41-I91 HydrophobicContact CB-CD1 4.04Å; L41-I91 HydrophobicContact CD1-CD1 3.73Å; L41-I91 HydrophobicContact CG-CD1 3.7Å; L77-I91 WeakPolarHBondContact CA-O 3.4Å; L77-I91 HydrophobicContact CB-CG2 4.35Å; L77-I91 WeakPolarHBondContact CB-O 3.35Å; L77-I91 HydrophobicContact CD1-CG2 4.44Å; L77-I91 PolarHBondContact N-O 2.81Å; K78-I91 HydrophobicContact CB-CB 4Å; K78-I91 HydrophobicContact CB-CG1 4.07Å; K78-I91 PolarHBondContact N-O 3.08Å; K78-I91 PolarHBondContact O-N 3.03Å; I80-I91 HydrophobicContact CD1-CD1 4.29Å; I80-I91 HydrophobicContact CD1-CG1 3.96Å
92F97.9Very high92.7Very high17 Ų1738.8 Ų38.88%0.07521%0.206CC..EExtended strand (participates in β ladder)trans-112.1161.1179.2-65.1-89.5000111.2V39 A40 K42 L64 I74 K75 L76 L90V39-F92 WeakPolarHBondContact CB-O 3.46Å; A40-F92 HydrophobicContact CB-CB 4.28Å; A40-F92 PolarHBondContact N-O 2.99Å; A40-F92 PolarHBondContact O-N 3.12Å; K42-F92 HydrophobicContact CB-CD2 4.39Å; K42-F92 HydrophobicContact CB-CE2 4.11Å; K42-F92 HydrophobicContact CD-CE2 4.05Å; L64-F92 HydrophobicContact CD1-CE1 3.64Å; L64-F92 HydrophobicContact CD1-CZ 4Å; I74-F92 HydrophobicContact CG1-CB 4.27Å; I74-F92 HydrophobicContact CG1-CD1 3.74Å; I74-F92 HydrophobicContact CG1-CE1 4.46Å; I74-F92 HydrophobicContact CG1-CG 4.34Å; I74-F92 HydrophobicContact CG2-CD1 4.14Å; I74-F92 HydrophobicContact CG2-CE1 4.06Å; K75-F92 VanDerWaalsContact O-CA 3.31Å; K75-F92 WeakPolarHBondContact O-CA 3.5Å; L76-F92 HydrophobicContact CB-CD1 4.23Å; L76-F92 HydrophobicContact CB-CE1 4.03Å; L76-F92 HydrophobicContact CD1-CD1 4.21Å; L76-F92 HydrophobicContact CD1-CE1 3.91Å; L76-F92 HydrophobicContact CD1-CE2 4.26Å; L76-F92 HydrophobicContact CD1-CZ 3.93Å; L90-F92 HydrophobicContact CB-CD2 4.07Å; L90-F92 HydrophobicContact CB-CE2 3.35Å; L90-F92 HydrophobicContact CB-CZ 3.96Å; L90-F92 HydrophobicContact CD1-CE2 3.96Å; L90-F92 HydrophobicContact CD1-CZ 3.88Å; L90-F92 HydrophobicContact CG-CE2 4.31Å
93E97.1Very high93Very high40 Ų4038.9 Ų38.919%0.18721%0.205CC..EExtended strand (participates in β ladder)trans-58.2147159.968.1-172.6137.500110.6I74 K75 K152I74-E93 HydrophobicContact CD1-CG 3.52Å; I74-E93 HydrophobicContact CG1-CG 4.44Å; K75-E93 HydrophobicContact CB-CG 4.12Å; K75-E93 WeakPolarHBondContact CB-OE1 3.38Å; K75-E93 WeakPolarHBondContact CD-OE1 3.32Å; K75-E93 WeakPolarHBondContact CG-OE1 3.29Å; K75-E93 PolarHBondContact N-OE1 2.84Å; K75-E93 PolarHBondContact O-N 2.67Å; K75-E93 VanDerWaalsContact O-N 3.09Å; E93-K152 VanDerWaalsContact CD-CD 3.44Å; E93-K152 HydrophobicContact CG-CD 4.11Å; E93-K152 WeakPolarHBondContact OE1-CD 3.48Å; E93-K152 WeakPolarHBondContact OE1-CE 3.37Å; E93-K152 IonicContact OE1-NZ 2.69Å; E93-K152 PolarHBondContact OE1-NZ 3.12Å; E93-K152 WeakPolarHBondContact OE2-CE 3.42Å; E93-K152 IonicContact OE2-NZ 3.86Å; E93-K152 PolarHBondContact OE2-NZ 3.49Å
94Y97.5Very high93.4Very high36 Ų3641 Ų4114%0.14121%0.206CC..  trans-84.5136-177.7173.9-96.5000111.3L19 K29 V38 D96L19-Y94 HydrophobicContact CD1-CD2 4.16Å; L19-Y94 HydrophobicContact CD1-CE2 3.87Å; L19-Y94 HydrophobicContact CD2-CE2 4.15Å; K29-Y94 HydrophobicContact CB-CD2 4.49Å; K29-Y94 HydrophobicContact CB-CE2 4.1Å; K29-Y94 HydrophobicContact CD-CD2 4.34Å; K29-Y94 HydrophobicContact CD-CE2 3.63Å; K29-Y94 HydrophobicContact CG-CD2 3.99Å; K29-Y94 HydrophobicContact CG-CE2 3.69Å; K29-Y94 PolarHBondContact NZ-OH 3.19Å; V38-Y94 HydrophobicContact CG1-CD1 3.93Å; V38-Y94 HydrophobicContact CG1-CD2 4.03Å; V38-Y94 HydrophobicContact CG1-CG 3.65Å; Y94-D96 WeakPolarHBondContact CE1-OD1 3.49Å
95M97.5Very high93.9Very high18 Ų1844.6 Ų44.69%0.08921%0.207CC..  trans-120.4148.1171.3-57-60.7-76.200109.2I74 L144 D146 T150 K152I74-M95 HydrophobicContact CD1-CG 3.85Å; M95-L144 HydrophobicContact CB-CB 3.79Å; M95-L144 HydrophobicContact CB-CD1 4.31Å; M95-L144 HydrophobicContact CE-CB 4.32Å; M95-L144 HydrophobicContact CG-CB 3.71Å; M95-L144 HydrophobicContact CG-CD1 3.99Å; M95-D146 HydrophobicContact CE-CB 4.06Å; M95-T150 WeakPolarHBondContact CE-O 3.31Å; M95-K152 HydrophobicContact CE-CB 3.89Å; M95-K152 HydrophobicContact CE-CD 3.8Å; M95-K152 HydrophobicContact CE-CG 3.71Å; M95-K152 HydrophobicContact CG-CD 4.39Å; M95-K152 HydrophobicContact SD-CB 4.41Å; M95-K152 HydrophobicContact SD-CD 3.51Å; M95-K152 VanDerWaalsContact SD-CD 3.51Å; M95-K152 HydrophobicContact SD-CG 4.13Å
96D95.1Very high94Very high66 Ų6648.9 Ų48.935%0.35323%0.225SC..SBendtrans-77.6-33.9-171.1-69.2-73.5000113.5Y94 L145 D146 V147Y94-D96 WeakPolarHBondContact CE1-OD1 3.49Å; D96-L145 PolarHBondContact N-O 3.02Å; D96-D146 WeakPolarHBondContact OD2-CA 3.4Å; D96-V147 WeakPolarHBondContact OD2-CG1 3.45Å; D96-V147 PolarHBondContact OD2-N 3.36Å; D96-V147 VanDerWaalsContact OD2-N 3.12Å
97T95.5Very high94.1Very high38 Ų3847.3 Ų47.323%0.23323%0.229CC..EExtended strand (participates in β ladder)trans-156.3174.5-177.7-170.60000110.8N101 V102 L145T97-N101 WeakPolarHBondContact OG1-CB 3.44Å; T97-V102 HydrophobicContact CG2-CG2 3.37Å; T97-L145 HydrophobicContact CG2-CB 3.93Å; T97-L145 PolarHBondContact N-O 3.12Å; T97-L145 VanDerWaalsContact N-O 3.1Å; T97-L145 PolarHBondContact O-N 3.16Å
98D96.1Very high93.9Very high30 Ų3049.4 Ų49.416%0.1624%0.239CC..EExtended strand (participates in β ladder)trans-108.6162.7163.157.972.1000110.7H100 N101 V102 V143 L144D98-H100 VanDerWaalsContact C-N 3.29Å; D98-H100 PolarHBondContact O-N 2.77Å; D98-H100 VanDerWaalsContact OD1-CB 3.29Å; D98-H100 WeakPolarHBondContact OD1-CB 3.21Å; D98-H100 PolarHBondContact OD1-N 3.17Å; D98-N101 PolarHBondContact O-N 3.09Å; D98-N101 WeakPolarHBondContact OD1-CB 3.39Å; D98-N101 PolarHBondContact OD1-N 3.22Å; D98-N101 PolarHBondContact OD1-ND2 3.33Å; D98-N101 PolarHBondContact OD2-ND2 3.01Å; D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.39Å; D98-V143 CarbonylContact C-O 3.52Å; D98-V143 WeakPolarHBondContact CA-O 3.39Å; D98-L144 HydrophobicContact CB-CD2 3.95Å
99L97.5Very high93.7Very high0 Ų050.8 Ų50.80%025%0.247CC..Hα-helixtrans-64.4-32.5-17817964000111.9N101 V102 I103 L109 I117 P140 V143 L145 I210 M214L99-N101 PolarHBondContact O-N 2.63Å; L99-V102 PolarHBondContact O-N 3.27Å; L99-I103 HydrophobicContact CD1-CD1 4.11Å; L99-I103 HydrophobicContact CD1-CG1 4.03Å; L99-I103 HydrophobicContact CD2-CD1 4.34Å; L99-I103 HydrophobicContact CG-CD1 3.79Å; L99-I103 HydrophobicContact CG-CG1 4.17Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.32Å; L99-I103 PolarHBondContact O-N 2.76Å; L99-L109 HydrophobicContact CD1-CD1 4.12Å; L99-I117 HydrophobicContact CD1-CD1 4.14Å; L99-I117 HydrophobicContact CD1-CG2 4.34Å; L99-I117 HydrophobicContact CD2-CG2 4.24Å; L99-P140 HydrophobicContact CB-CB 4.17Å; L99-P140 WeakPolarHBondContact CB-O 3.5Å; L99-P140 HydrophobicContact CD2-CB 4.28Å; L99-P140 HydrophobicContact CG-CB 4.12Å; L99-P140 PolarHBondContact N-O 2.82Å; L99-V143 HydrophobicContact CB-CB 3.85Å; L99-V143 HydrophobicContact CB-CG1 4.05Å; L99-V143 HydrophobicContact CD2-CB 4.13Å; L99-V143 HydrophobicContact CD2-CG1 4.08Å; L99-V143 HydrophobicContact CD2-CG2 4.44Å; L99-V143 PolarHBondContact N-O 3.38Å; L99-L145 HydrophobicContact CB-CD1 4.24Å; L99-L145 HydrophobicContact CD1-CD1 4.05Å; L99-I210 HydrophobicContact CD2-CG2 3.63Å; L99-M214 HydrophobicContact CD1-CG 4.11Å; L99-M214 HydrophobicContact CD1-SD 3.92Å; L99-M214 HydrophobicContact CD2-CG 4.14Å; L99-M214 HydrophobicContact CD2-SD 3.88Å; L99-M214 HydrophobicContact CG-CG 4.47Å; L99-M214 HydrophobicContact CG-SD 4.49Å
100H95.5Very high93.6Very high73 Ų7358.1 Ų58.134%0.33827%0.274SS..Hα-helixtrans-58.4-48.4175.8178.371.9000111.4D98 V102 I103 K104 P140D98-H100 VanDerWaalsContact C-N 3.29Å; D98-H100 PolarHBondContact O-N 2.77Å; D98-H100 VanDerWaalsContact OD1-CB 3.29Å; D98-H100 WeakPolarHBondContact OD1-CB 3.21Å; D98-H100 PolarHBondContact OD1-N 3.17Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.35Å; H100-I103 PolarHBondContact O-N 2.69Å; H100-K104 WeakPolarHBondContact O-CB 3.4Å; H100-K104 PolarHBondContact O-N 3.35Å; H100-P140 HydrophobicContact CB-CB 3.87Å; H100-P140 PolarHBondContact N-O 3.44Å
101N95.1Very high93.4Very high71 Ų7162.5 Ų62.538%0.3830%0.303SS..Hα-helixtrans-65.3-31.5177.7-81.2-42.9000113T97 D98 L99 K105T97-N101 WeakPolarHBondContact OG1-CB 3.44Å; D98-N101 PolarHBondContact O-N 3.09Å; D98-N101 WeakPolarHBondContact OD1-CB 3.39Å; D98-N101 PolarHBondContact OD1-N 3.22Å; D98-N101 PolarHBondContact OD1-ND2 3.33Å; D98-N101 PolarHBondContact OD2-ND2 3.01Å; L99-N101 PolarHBondContact O-N 2.63Å; N101-K105 WeakPolarHBondContact O-CG 3.34Å
102V95.9Very high93.2Very high9 Ų965.6 Ų65.66%0.05532%0.319CS..Hα-helixtrans-72.7-45.6175.4-177.40000111.4T97 D98 L99 H100 K104 K105 I108 L109 L145T97-V102 HydrophobicContact CG2-CG2 3.37Å; D98-V102 WeakPolarHBondContact O-CG2 3.38Å; D98-V102 PolarHBondContact O-N 3.39Å; L99-V102 PolarHBondContact O-N 3.27Å; H100-V102 VanDerWaalsContact C-N 3.3Å; H100-V102 PolarHBondContact O-N 3.35Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 3.05Å; V102-K105 PolarHBondContact O-N 2.9Å; V102-I108 HydrophobicContact CG1-CB 3.95Å; V102-I108 HydrophobicContact CG1-CG2 3.81Å; V102-L109 HydrophobicContact CG1-CD1 4.13Å; V102-L109 HydrophobicContact CG1-CD2 3.67Å; V102-L109 HydrophobicContact CG1-CG 3.65Å; V102-L145 HydrophobicContact CB-CD1 4.41Å; V102-L145 HydrophobicContact CG2-CD1 3.87Å
103I95.9Very high93.1Very high6 Ų666.6 Ų66.63%0.03132%0.324CS..Hα-helixtrans-59.2-42.7177.7-67.8173.8000110.6L99 H100 K105 Q106 L109 P140 E213 M214L99-I103 HydrophobicContact CD1-CD1 4.11Å; L99-I103 HydrophobicContact CD1-CG1 4.03Å; L99-I103 HydrophobicContact CD2-CD1 4.34Å; L99-I103 HydrophobicContact CG-CD1 3.79Å; L99-I103 HydrophobicContact CG-CG1 4.17Å; L99-I103 VanDerWaalsContact O-CG1 3.26Å; L99-I103 WeakPolarHBondContact O-CG1 3.32Å; L99-I103 PolarHBondContact O-N 2.76Å; H100-I103 PolarHBondContact O-N 2.69Å; I103-K105 PolarHBondContact O-N 3.37Å; I103-Q106 PolarHBondContact O-N 3.09Å; I103-L109 HydrophobicContact CG1-CD1 3.67Å; I103-P140 HydrophobicContact CD1-CB 4.27Å; I103-P140 HydrophobicContact CD1-CG 4.34Å; I103-E213 HydrophobicContact CD1-CB 4.41Å; I103-E213 HydrophobicContact CD1-CG 3.84Å; I103-E213 HydrophobicContact CG2-CG 4.02Å; I103-M214 HydrophobicContact CD1-CB 4.41Å; I103-M214 HydrophobicContact CD1-CG 3.65Å; I103-M214 HydrophobicContact CG1-CG 4.16Å
104K94Very high93.1Very high154 Ų15464.9 Ų64.967%0.6732%0.316SS*.Hα-helixtrans-60.2-27.4-179.8-172.2175.5179.1-1800113.8H100 V102 Q106H100-K104 WeakPolarHBondContact O-CB 3.4Å; H100-K104 PolarHBondContact O-N 3.35Å; V102-K104 VanDerWaalsContact C-N 3.29Å; V102-K104 PolarHBondContact O-N 3.05Å; K104-Q106 VanDerWaalsContact C-N 3.33Å
105K91.8Very high93.1Very high126 Ų12665.2 Ų65.255%0.54832%0.319SS..Hα-helixtrans-76.5-19.8177.6-68.8175.6-177.9178.30113N101 V102 I103 D107 I108N101-K105 WeakPolarHBondContact O-CG 3.34Å; V102-K105 PolarHBondContact O-N 2.9Å; I103-K105 PolarHBondContact O-N 3.37Å; K105-D107 PolarHBondContact O-N 3.35Å; K105-I108 HydrophobicContact CB-CD1 4.08Å; K105-I108 HydrophobicContact CB-CG1 4.21Å; K105-I108 HydrophobicContact CD-CD1 3.43Å; K105-I108 VanDerWaalsContact CD-CD1 3.43Å; K105-I108 HydrophobicContact CD-CG1 4.41Å; K105-I108 HydrophobicContact CG-CD1 4.41Å
106Q79.6Confident93.1Very high152 Ų15267.1 Ų67.171%0.7133%0.327SS*.SBendtrans61.2-26.6176.1-61.1-175.6-9.300117.2I103 K104I103-Q106 PolarHBondContact O-N 3.09Å; K104-Q106 VanDerWaalsContact C-N 3.33Å
107D82Confident93.2Very high134 Ų13464 Ų6472%0.71731%0.31SS*.SBendtrans-94.6-8.6-17562-11000114.5K105K105-D107 PolarHBondContact O-N 3.35Å
108I85.2Confident93.4Very high66 Ų6662.2 Ų62.234%0.33830%0.299SS..SBendtrans-89.3-39.9-175.3-56.7-173.5000113.1V102 K105 R110 H113V102-I108 HydrophobicContact CG1-CB 3.95Å; V102-I108 HydrophobicContact CG1-CG2 3.81Å; K105-I108 HydrophobicContact CB-CD1 4.08Å; K105-I108 HydrophobicContact CB-CG1 4.21Å; K105-I108 HydrophobicContact CD-CD1 3.43Å; K105-I108 VanDerWaalsContact CD-CD1 3.43Å; K105-I108 HydrophobicContact CD-CG1 4.41Å; K105-I108 HydrophobicContact CG-CD1 4.41Å; I108-R110 PolarHBondContact O-N 3.26Å; I108-R110 VanDerWaalsContact O-N 3.14Å; I108-H113 PolarHBondContact O-CE1 2.65Å; I108-H113 PolarHBondContact O-ND1 2.97Å
109L89.6Confident93.5Very high29 Ų2960.8 Ų60.815%0.15229%0.291CS..  trans-84.594.5-172.5-67.9178.3000111.5L99 V102 I103 H113 V114 I117 M214L99-L109 HydrophobicContact CD1-CD1 4.12Å; V102-L109 HydrophobicContact CG1-CD1 4.13Å; V102-L109 HydrophobicContact CG1-CD2 3.67Å; V102-L109 HydrophobicContact CG1-CG 3.65Å; I103-L109 HydrophobicContact CG1-CD1 3.67Å; L109-H113 HydrophobicContact CD2-CB 3.97Å; L109-V114 HydrophobicContact CB-CG2 4.08Å; L109-I117 HydrophobicContact CD2-CD1 3.66Å; L109-M214 HydrophobicContact CD1-CB 4.5Å; L109-M214 HydrophobicContact CD1-CG 4.28Å
110R92.4Very high93.5Very high154 Ų15461.1 Ų61.158%0.58129%0.293SS*.  trans-71.6157165.1-61.9-176.7-62.4-177.1-2.4110.2I108 I112 H113 V114I108-R110 PolarHBondContact O-N 3.26Å; I108-R110 VanDerWaalsContact O-N 3.14Å; R110-I112 HydrophobicContact CB-CG2 4.12Å; R110-I112 PolarHBondContact O-N 3.37Å; R110-H113 PolarHBondContact N-ND1 2.98Å; R110-H113 PolarHBondContact NE-CE1 3.44Å; R110-H113 PolarHBondContact NE-NE2 2.92Å; R110-H113 PolarHBondContact NH2-NE2 2.85Å; R110-H113 WeakPolarHBondContact O-CA 3.46Å; R110-H113 WeakPolarHBondContact O-CB 3.42Å; R110-H113 PolarHBondContact O-N 3.11Å; R110-V114 PolarHBondContact O-N 3.19Å
111P92.3Very high93.7Very high93 Ų9357.8 Ų57.860%0.60428%0.278SS*.Hα-helixtrans-50.5-38.5179.4-3035.8000114.1H113 V114 Q115P111-H113 PolarHBondContact O-N 3.3Å; P111-V114 PolarHBondContact O-N 3.48Å; P111-Q115 PolarHBondContact O-N 3.19Å; P111-Q115 VanDerWaalsContact O-N 3.11Å
112I94.7Very high93.8Very high66 Ų6654.5 Ų54.534%0.33826%0.26SS..Hα-helixtrans-64.1-37.6176.7-168.163.9000112.9R110 F116 L308 F309R110-I112 HydrophobicContact CB-CG2 4.12Å; R110-I112 PolarHBondContact O-N 3.37Å; I112-F116 WeakPolarHBondContact O-CB 3.48Å; I112-F116 PolarHBondContact O-N 3.06Å; I112-L308 HydrophobicContact CD1-CD2 3.32Å; I112-F309 HydrophobicContact CD1-CE1 4.44Å; I112-F309 HydrophobicContact CD1-CE2 3.78Å; I112-F309 HydrophobicContact CD1-CZ 3.38Å; I112-F309 HydrophobicContact CG1-CZ 3.87Å
113H95.5Very high94Very high38 Ų3854 Ų5418%0.17626%0.257CS..Hα-helixtrans-66.5-41.8176.2-56.3156.4000110.3I108 L109 R110 P111 Q115 F116 I117I108-H113 PolarHBondContact O-CE1 2.65Å; I108-H113 PolarHBondContact O-ND1 2.97Å; L109-H113 HydrophobicContact CD2-CB 3.97Å; R110-H113 PolarHBondContact N-ND1 2.98Å; R110-H113 PolarHBondContact NE-CE1 3.44Å; R110-H113 PolarHBondContact NE-NE2 2.92Å; R110-H113 PolarHBondContact NH2-NE2 2.85Å; R110-H113 WeakPolarHBondContact O-CA 3.46Å; R110-H113 WeakPolarHBondContact O-CB 3.42Å; R110-H113 PolarHBondContact O-N 3.11Å; P111-H113 PolarHBondContact O-N 3.3Å; H113-Q115 PolarHBondContact O-N 2.89Å; H113-F116 PolarHBondContact O-N 3.27Å; H113-I117 WeakPolarHBondContact O-CB 3.21Å; H113-I117 WeakPolarHBondContact O-CD1 3.19Å; H113-I117 VanDerWaalsContact O-CG1 3.26Å; H113-I117 WeakPolarHBondContact O-CG1 3.35Å; H113-I117 PolarHBondContact O-N 3.47Å
114V96.4Very high94.1Very high3 Ų353.8 Ų53.82%0.01826%0.256CS..Hα-helixtrans-61.7-44.7178.6-176.20000111.1L109 R110 P111 T118 M214 Y305L109-V114 HydrophobicContact CB-CG2 4.08Å; R110-V114 PolarHBondContact O-N 3.19Å; P111-V114 PolarHBondContact O-N 3.48Å; V114-T118 VanDerWaalsContact O-CB 3.31Å; V114-T118 WeakPolarHBondContact O-CB 3.31Å; V114-T118 PolarHBondContact O-N 3.18Å; V114-T118 PolarHBondContact O-OG1 2.97Å; V114-M214 HydrophobicContact CG1-CB 3.63Å; V114-M214 HydrophobicContact CG1-CE 3.83Å; V114-M214 HydrophobicContact CG1-CG 4.41Å; V114-M214 HydrophobicContact CG1-SD 3.98Å; V114-M214 HydrophobicContact CG2-CB 4.18Å; V114-Y305 VanDerWaalsContact CG1-OH 3.32Å; V114-Y305 WeakPolarHBondContact CG1-OH 3.49Å
115Q97.5Very high94.3Very high43 Ų4346.4 Ų46.420%0.20122%0.224CC..Hα-helixtrans-63.4-43.5175.8-75177.5-12.400112P111 H113 T118 Y119 Y305 F309P111-Q115 PolarHBondContact O-N 3.19Å; P111-Q115 VanDerWaalsContact O-N 3.11Å; H113-Q115 PolarHBondContact O-N 2.89Å; Q115-T118 PolarHBondContact O-N 3.23Å; Q115-Y119 WeakPolarHBondContact O-CB 3.28Å; Q115-Y119 PolarHBondContact O-N 2.83Å; Q115-Y305 HydrophobicContact CG-CD2 4.3Å; Q115-Y305 HydrophobicContact CG-CE1 4.14Å; Q115-Y305 HydrophobicContact CG-CE2 3.69Å; Q115-F309 HydrophobicContact CB-CD2 4.08Å; Q115-F309 HydrophobicContact CB-CE2 3.67Å
116F97.3Very high94.6Very high58 Ų5840.6 Ų40.625%0.25420%0.199SC..Hα-helixtrans-65.1-43.9-179.8-173.6-133.1000112.7I112 H113 T118 Y119 Q120 C149 F309I112-F116 WeakPolarHBondContact O-CB 3.48Å; I112-F116 PolarHBondContact O-N 3.06Å; H113-F116 PolarHBondContact O-N 3.27Å; F116-T118 VanDerWaalsContact C-N 3.35Å; F116-Y119 PolarHBondContact O-N 3.46Å; F116-Q120 VanDerWaalsContact CD1-NE2 3.35Å; F116-Q120 HydrophobicContact CD2-CG 4.43Å; F116-Q120 HydrophobicContact CE2-CG 4.12Å; F116-Q120 HydrophobicContact CZ-CG 4.35Å; F116-Q120 WeakPolarHBondContact O-CG 3.47Å; F116-Q120 PolarHBondContact O-N 3.25Å; F116-Q120 VanDerWaalsContact O-N 3.1Å; F116-Q120 PolarHBondContact O-NE2 3.1Å; F116-C149 HydrophobicContact CD1-CB 4.39Å; F116-F309 HydrophobicContact CB-CD2 4.22Å; F116-F309 HydrophobicContact CB-CE1 4.04Å; F116-F309 HydrophobicContact CB-CE2 3.72Å; F116-F309 HydrophobicContact CB-CZ 3.6Å; F116-F309 AromaticContact CD2-CD1 3.54Å; F116-F309 HydrophobicContact CD2-CD1 3.54Å; F116-F309 HydrophobicContact CD2-CD2 4.39Å; F116-F309 AromaticContact CD2-CE1 3.64Å; F116-F309 HydrophobicContact CD2-CE1 3.64Å; F116-F309 HydrophobicContact CD2-CE2 4.48Å; F116-F309 AromaticContact CD2-CG 3.92Å; F116-F309 HydrophobicContact CD2-CG 3.92Å; F116-F309 HydrophobicContact CD2-CZ 4.11Å; F116-F309 HydrophobicContact CE2-CD1 4.2Å; F116-F309 HydrophobicContact CE2-CE1 4.43Å; F116-F309 HydrophobicContact CG-CD1 4.38Å; F116-F309 HydrophobicContact CG-CE1 4.07Å; F116-F309 HydrophobicContact CG-CZ 4.15Å
117I98.3Very high95.5Very high0 Ų033.3 Ų33.30%017%0.165CC..Hα-helixtrans-63.2-43.7175.3-70.1164.6000110.1L99 L109 H113 Y119 Q120 L121 L145 V151 M214L99-I117 HydrophobicContact CD1-CD1 4.14Å; L99-I117 HydrophobicContact CD1-CG2 4.34Å; L99-I117 HydrophobicContact CD2-CG2 4.24Å; L109-I117 HydrophobicContact CD2-CD1 3.66Å; H113-I117 WeakPolarHBondContact O-CB 3.21Å; H113-I117 WeakPolarHBondContact O-CD1 3.19Å; H113-I117 VanDerWaalsContact O-CG1 3.26Å; H113-I117 WeakPolarHBondContact O-CG1 3.35Å; H113-I117 PolarHBondContact O-N 3.47Å; I117-Y119 PolarHBondContact O-N 3.4Å; I117-Q120 PolarHBondContact O-N 2.8Å; I117-L121 VanDerWaalsContact O-CB 3.29Å; I117-L121 WeakPolarHBondContact O-CB 3Å; I117-L121 PolarHBondContact O-N 3.16Å; I117-L145 HydrophobicContact CD1-CD1 4.15Å; I117-L145 HydrophobicContact CD1-CD2 4.31Å; I117-L145 HydrophobicContact CG1-CD2 4.13Å; I117-V151 HydrophobicContact CB-CG2 4.18Å; I117-V151 HydrophobicContact CG1-CG2 4.22Å; I117-V151 HydrophobicContact CG2-CG2 3.83Å; I117-M214 HydrophobicContact CB-SD 4.26Å; I117-M214 HydrophobicContact CG2-CE 4.42Å; I117-M214 HydrophobicContact CG2-SD 3.77Å
118T98.5Very high96.2Very high1 Ų127 Ų271%0.00613%0.131CC..Hα-helixtrans-58.9-47.7177.8-580000111.2V114 Q115 F116 L121 F122 I211 M214 Y305 V306V114-T118 VanDerWaalsContact O-CB 3.31Å; V114-T118 WeakPolarHBondContact O-CB 3.31Å; V114-T118 PolarHBondContact O-N 3.18Å; V114-T118 PolarHBondContact O-OG1 2.97Å; Q115-T118 PolarHBondContact O-N 3.23Å; F116-T118 VanDerWaalsContact C-N 3.35Å; T118-L121 PolarHBondContact O-N 3.2Å; T118-F122 HydrophobicContact CG2-CD1 4.3Å; T118-F122 HydrophobicContact CG2-CD2 4.42Å; T118-F122 HydrophobicContact CG2-CE1 3.85Å; T118-F122 HydrophobicContact CG2-CE2 3.98Å; T118-F122 HydrophobicContact CG2-CZ 3.7Å; T118-F122 WeakPolarHBondContact O-CD1 3.45Å; T118-F122 WeakPolarHBondContact O-CG 3.12Å; T118-F122 PolarHBondContact O-N 3.31Å; T118-I211 HydrophobicContact CG2-CD1 3.73Å; T118-I211 HydrophobicContact CG2-CG1 3.88Å; T118-M214 WeakPolarHBondContact OG1-CE 3.08Å; T118-Y305 HydrophobicContact CG2-CD1 4.33Å; T118-Y305 HydrophobicContact CG2-CE1 4.08Å; T118-V306 HydrophobicContact CG2-CG1 3.8Å
119Y98.4Very high96.7Very high0 Ų024 Ų240%012%0.115CC..Hα-helixtrans-60.5-49.2179.4174.8-103.2000112.3Q115 F116 I117 L121 F122 C123 L301 V306 F309 N311Q115-Y119 WeakPolarHBondContact O-CB 3.28Å; Q115-Y119 PolarHBondContact O-N 2.83Å; F116-Y119 PolarHBondContact O-N 3.46Å; I117-Y119 PolarHBondContact O-N 3.4Å; Y119-L121 VanDerWaalsContact C-N 3.33Å; Y119-L121 PolarHBondContact O-N 2.89Å; Y119-F122 WeakPolarHBondContact O-CA 3.46Å; Y119-F122 WeakPolarHBondContact O-CB 2.8Å; Y119-F122 PolarHBondContact O-N 3.15Å; Y119-F122 VanDerWaalsContact O-N 3.07Å; Y119-C123 VanDerWaalsContact CZ-SG 3.55Å; Y119-C123 PolarHBondContact O-N 3.31Å; Y119-L301 HydrophobicContact CD2-CD2 3.92Å; Y119-L301 HydrophobicContact CE2-CD2 3.69Å; Y119-V306 HydrophobicContact CD2-CB 4.2Å; Y119-V306 HydrophobicContact CD2-CG2 4.48Å; Y119-F309 HydrophobicContact CD1-CB 3.66Å; Y119-F309 HydrophobicContact CD2-CB 4.24Å; Y119-F309 HydrophobicContact CE1-CB 4.27Å; Y119-F309 WeakPolarHBondContact CE1-O 3.41Å; Y119-F309 HydrophobicContact CG-CB 3.64Å; Y119-N311 PolarHBondContact OH-N 3.09Å; Y119-N311 PolarHBondContact OH-O 3.2Å
120Q98.4Very high97Very high8 Ų824.1 Ų24.14%0.03712%0.119CC..Hα-helixtrans-63.9-38.5178.8-69.8178.180.500112.6N72 F116 I117 F122 C123 A124 C149 V151N72-Q120 PolarHBondContact ND2-OE1 3.24Å; N72-Q120 VanDerWaalsContact ND2-OE1 3.1Å; F116-Q120 VanDerWaalsContact CD1-NE2 3.35Å; F116-Q120 HydrophobicContact CD2-CG 4.43Å; F116-Q120 HydrophobicContact CE2-CG 4.12Å; F116-Q120 HydrophobicContact CZ-CG 4.35Å; F116-Q120 WeakPolarHBondContact O-CG 3.47Å; F116-Q120 PolarHBondContact O-N 3.25Å; F116-Q120 VanDerWaalsContact O-N 3.1Å; F116-Q120 PolarHBondContact O-NE2 3.1Å; I117-Q120 PolarHBondContact O-N 2.8Å; Q120-F122 VanDerWaalsContact C-N 3.26Å; Q120-F122 PolarHBondContact O-N 3.11Å; Q120-C123 PolarHBondContact O-N 3.17Å; Q120-A124 PolarHBondContact O-N 3.13Å; Q120-C149 PolarHBondContact NE2-O 3.43Å; Q120-V151 HydrophobicContact CB-CB 3.76Å; Q120-V151 HydrophobicContact CB-CG2 3.91Å
121L98.4Very high97.1Very high3 Ų316.8 Ų16.82%0.0169%0.091CC..Hα-helixtrans-64.8-35174.4-172.459.4000110.9I117 T118 Y119 A124 V125 V143 V151 L153 L207 I210I117-L121 VanDerWaalsContact O-CB 3.29Å; I117-L121 WeakPolarHBondContact O-CB 3Å; I117-L121 PolarHBondContact O-N 3.16Å; T118-L121 PolarHBondContact O-N 3.2Å; Y119-L121 VanDerWaalsContact C-N 3.33Å; Y119-L121 PolarHBondContact O-N 2.89Å; L121-A124 PolarHBondContact O-N 3.26Å; L121-V125 WeakPolarHBondContact O-CG2 3.43Å; L121-V125 PolarHBondContact O-N 3.49Å; L121-V143 HydrophobicContact CD1-CG2 4.02Å; L121-V143 HydrophobicContact CD2-CG2 4.15Å; L121-V151 HydrophobicContact CD1-CG1 4.45Å; L121-L153 HydrophobicContact CD1-CD1 4.32Å; L121-L207 HydrophobicContact CD1-CD2 4.48Å; L121-L207 HydrophobicContact CD2-CD2 3.35Å; L121-L207 HydrophobicContact CG-CD2 3.5Å; L121-I210 HydrophobicContact CD2-CD1 4.22Å; L121-I210 HydrophobicContact CD2-CG2 4.31Å
122F98.7Very high97.2Very high1 Ų113.6 Ų13.60%0.0047%0.069CC..Hα-helixtrans-66.5-41.1173.2-72.6-0000112.8T118 Y119 Q120 A124 V125 L126 L207 I211 L282 L286 I297 A300 L301 V306T118-F122 HydrophobicContact CG2-CD1 4.3Å; T118-F122 HydrophobicContact CG2-CD2 4.42Å; T118-F122 HydrophobicContact CG2-CE1 3.85Å; T118-F122 HydrophobicContact CG2-CE2 3.98Å; T118-F122 HydrophobicContact CG2-CZ 3.7Å; T118-F122 WeakPolarHBondContact O-CD1 3.45Å; T118-F122 WeakPolarHBondContact O-CG 3.12Å; T118-F122 PolarHBondContact O-N 3.31Å; Y119-F122 WeakPolarHBondContact O-CA 3.46Å; Y119-F122 WeakPolarHBondContact O-CB 2.8Å; Y119-F122 PolarHBondContact O-N 3.15Å; Y119-F122 VanDerWaalsContact O-N 3.07Å; Q120-F122 VanDerWaalsContact C-N 3.26Å; Q120-F122 PolarHBondContact O-N 3.11Å; F122-A124 VanDerWaalsContact C-N 3.34Å; F122-A124 PolarHBondContact O-N 3.25Å; F122-V125 PolarHBondContact O-N 3.38Å; F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 2.75Å; F122-L207 HydrophobicContact CD1-CD1 3.84Å; F122-L207 HydrophobicContact CD1-CD2 4.27Å; F122-L207 HydrophobicContact CE1-CB 4.2Å; F122-L207 HydrophobicContact CE1-CD1 3.76Å; F122-L207 HydrophobicContact CE1-CD2 4.24Å; F122-L207 HydrophobicContact CE1-CG 4.29Å; F122-I211 HydrophobicContact CE1-CD1 4.07Å; F122-I211 HydrophobicContact CZ-CD1 3.92Å; F122-L282 HydrophobicContact CE2-CD2 4.07Å; F122-L282 HydrophobicContact CZ-CD1 4.42Å; F122-L282 HydrophobicContact CZ-CD2 3.91Å; F122-L286 HydrophobicContact CZ-CD1 4.39Å; F122-I297 HydrophobicContact CB-CD1 3.77Å; F122-I297 HydrophobicContact CD1-CD1 3.8Å; F122-I297 HydrophobicContact CD2-CD1 4.48Å; F122-I297 HydrophobicContact CG-CD1 3.78Å; F122-I297 WeakPolarHBondContact O-CG1 3.34Å; F122-A300 HydrophobicContact CD2-CB 4.07Å; F122-A300 HydrophobicContact CE2-CB 3.64Å; F122-A300 HydrophobicContact CZ-CB 4.02Å; F122-L301 HydrophobicContact CB-CD2 3.6Å; F122-L301 HydrophobicContact CB-CG 3.92Å; F122-L301 HydrophobicContact CD2-CD2 4.37Å; F122-L301 HydrophobicContact CD2-CG 4.43Å; F122-V306 HydrophobicContact CD2-CG1 4.24Å; F122-V306 HydrophobicContact CD2-CG2 4.4Å; F122-V306 HydrophobicContact CE2-CG1 4.13Å
123C98.4Very high97.1Very high0 Ų010.5 Ų10.50%05%0.053CC..Hα-helixtrans-59.6-44.5173-670000111.5H70 Y119 Q120 V125 L126 Y127H70-C123 PolarHBondContact NE2-O 2.8Å; Y119-C123 VanDerWaalsContact CZ-SG 3.55Å; Y119-C123 PolarHBondContact O-N 3.31Å; Q120-C123 PolarHBondContact O-N 3.17Å; C123-V125 PolarHBondContact O-N 2.93Å; C123-L126 PolarHBondContact O-N 3.49Å; C123-Y127 PolarHBondContact O-N 3.04Å
124A98.4Very high97Very high0 Ų08.7 Ų8.70%05%0.045CC..Hα-helixtrans-57.8-47.5175.100000111.9N72 I73 Q120 L121 F122 Y127 L128 L153N72-A124 HydrophobicContact CB-CB 3.9Å; I73-A124 HydrophobicContact CD1-CB 4.11Å; Q120-A124 PolarHBondContact O-N 3.13Å; L121-A124 PolarHBondContact O-N 3.26Å; F122-A124 VanDerWaalsContact C-N 3.34Å; F122-A124 PolarHBondContact O-N 3.25Å; A124-Y127 WeakPolarHBondContact O-CB 3.4Å; A124-Y127 PolarHBondContact O-N 2.9Å; A124-L128 WeakPolarHBondContact O-CG 3.41Å; A124-L128 PolarHBondContact O-N 3.28Å; A124-L128 VanDerWaalsContact O-N 3.12Å; A124-L153 HydrophobicContact CB-CB 4.35Å; A124-L153 HydrophobicContact CB-CD2 4.31Å
125V98.5Very high96.9Very high0 Ų08.5 Ų8.50%04%0.044CC..Hα-helixtrans-69.5-36.2-179.3174.60000111.9L121 F122 C123 Y127 L128 H129 L138 D203 M204 L207 I297L121-V125 WeakPolarHBondContact O-CG2 3.43Å; L121-V125 PolarHBondContact O-N 3.49Å; F122-V125 PolarHBondContact O-N 3.38Å; C123-V125 PolarHBondContact O-N 2.93Å; V125-Y127 VanDerWaalsContact C-N 3.28Å; V125-Y127 PolarHBondContact O-N 3.23Å; V125-L128 PolarHBondContact O-N 2.95Å; V125-H129 VanDerWaalsContact CG1-CE1 3.4Å; V125-H129 WeakPolarHBondContact CG1-CE1 3.12Å; V125-H129 WeakPolarHBondContact CG1-NE2 3.36Å; V125-H129 VanDerWaalsContact O-CB 3.3Å; V125-H129 WeakPolarHBondContact O-CB 3.49Å; V125-H129 PolarHBondContact O-CD2 3.38Å; V125-H129 PolarHBondContact O-N 2.88Å; V125-L138 HydrophobicContact CG2-CD1 3.87Å; V125-D203 HydrophobicContact CG1-CB 4.38Å; V125-M204 HydrophobicContact CG1-SD 4.41Å; V125-L207 HydrophobicContact CB-CD1 4.37Å; V125-L207 HydrophobicContact CG1-CD1 4.21Å; V125-L207 HydrophobicContact CG2-CD1 4.16Å; V125-L207 HydrophobicContact CG2-CD2 4.26Å; V125-I297 HydrophobicContact CB-CD1 4Å; V125-I297 HydrophobicContact CB-CG1 4.11Å; V125-I297 HydrophobicContact CG1-CB 4.34Å; V125-I297 HydrophobicContact CG1-CD1 3.95Å; V125-I297 HydrophobicContact CG1-CG1 3.95Å
126L98.1Very high96.7Very high3 Ų37.6 Ų7.62%0.0164%0.038CC..Hα-helixtrans-56.8-46.8172.6172.769.1000110.3F122 C123 L128 H129 S130 I297 E298 L301 Q315 T317F122-L126 WeakPolarHBondContact O-CB 3.4Å; F122-L126 PolarHBondContact O-N 2.75Å; C123-L126 PolarHBondContact O-N 3.49Å; L126-L128 PolarHBondContact O-N 3.13Å; L126-H129 PolarHBondContact O-N 3.06Å; L126-S130 VanDerWaalsContact O-CB 3.32Å; L126-S130 WeakPolarHBondContact O-CB 3.29Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.3Å; L126-I297 HydrophobicContact CB-CG1 4.02Å; L126-I297 HydrophobicContact CB-CG2 4.19Å; L126-I297 HydrophobicContact CD1-CG2 3.88Å; L126-E298 HydrophobicContact CD1-CG 3.95Å; L126-L301 HydrophobicContact CB-CD1 3.96Å; L126-L301 HydrophobicContact CD1-CD1 4.45Å; L126-L301 HydrophobicContact CD2-CD1 3.63Å; L126-L301 HydrophobicContact CG-CD1 4.21Å; L126-Q315 HydrophobicContact CD2-CB 3.69Å; L126-Q315 HydrophobicContact CD2-CG 4.15Å; L126-T317 HydrophobicContact CD1-CG2 4.13Å; L126-T317 HydrophobicContact CD2-CG2 4.04Å; L126-T317 HydrophobicContact CG-CG2 3.92Å
127Y97.5Very high96.4Very high0 Ų05.4 Ų5.40%03%0.029CC..Hα-helixtrans-61.2-45.6178.8-174.2-110.6000111.9L67 H70 I73 C123 A124 V125 S130 A131 L316 M318 V361L67-Y127 HydrophobicContact CB-CE1 4.1Å; L67-Y127 HydrophobicContact CD2-CD1 3.82Å; L67-Y127 HydrophobicContact CD2-CE1 3.5Å; L67-Y127 HydrophobicContact CG-CE1 4.43Å; H70-Y127 HydrophobicContact CB-CD1 3.48Å; H70-Y127 VanDerWaalsContact CB-CD1 3.48Å; H70-Y127 HydrophobicContact CB-CD2 4.31Å; H70-Y127 HydrophobicContact CB-CE1 3.54Å; H70-Y127 HydrophobicContact CB-CE2 4.36Å; H70-Y127 HydrophobicContact CB-CG 3.88Å; H70-Y127 WeakPolarHBondContact CD2-CB 3.47Å; H70-Y127 AromaticContact CD2-CD1 3.87Å; H70-Y127 AromaticContact CD2-CD2 3.66Å; H70-Y127 AromaticContact CD2-CG 3.35Å; H70-Y127 AromaticContact CG-CD1 3.81Å; H70-Y127 AromaticContact CG-CG 3.79Å; I73-Y127 HydrophobicContact CG1-CD1 4.29Å; C123-Y127 PolarHBondContact O-N 3.04Å; A124-Y127 WeakPolarHBondContact O-CB 3.4Å; A124-Y127 PolarHBondContact O-N 2.9Å; V125-Y127 VanDerWaalsContact C-N 3.28Å; V125-Y127 PolarHBondContact O-N 3.23Å; Y127-S130 PolarHBondContact O-OG 3.44Å; Y127-A131 PolarHBondContact O-N 3.08Å; Y127-L316 HydrophobicContact CD2-CB 4.14Å; Y127-L316 WeakPolarHBondContact CD2-O 3.36Å; Y127-M318 HydrophobicContact CD2-CG 4.08Å; Y127-M318 HydrophobicContact CE1-CG 4.39Å; Y127-M318 HydrophobicContact CE2-CG 3.57Å; Y127-M318 HydrophobicContact CE2-SD 3.71Å; Y127-M318 VanDerWaalsContact CZ-SD 3.57Å; Y127-M318 PolarHBondContact OH-SD 3.27Å; Y127-V361 HydrophobicContact CE2-CG1 4.03Å; Y127-V361 HydrophobicContact CE2-CG2 3.92Å; Y127-V361 VanDerWaalsContact OH-CG2 3.29Å; Y127-V361 WeakPolarHBondContact OH-CG2 3.41Å
128L97.3Very high96.4Very high0 Ų05.5 Ų5.50%03%0.03CC..Hα-helixtrans-60.2-49.9174.3-61.3-178.1000112.1L67 I73 A124 V125 L126 S130 A131 N132 V133 H135 L153 F156L67-L128 HydrophobicContact CD1-CD2 3.4Å; L67-L128 VanDerWaalsContact CD1-CD2 3.4Å; L67-L128 HydrophobicContact CD2-CD2 3.7Å; L67-L128 HydrophobicContact CG-CD2 4.17Å; I73-L128 HydrophobicContact CD1-CD2 4.13Å; I73-L128 HydrophobicContact CD1-CG 4.43Å; A124-L128 WeakPolarHBondContact O-CG 3.41Å; A124-L128 PolarHBondContact O-N 3.28Å; A124-L128 VanDerWaalsContact O-N 3.12Å; V125-L128 PolarHBondContact O-N 2.95Å; L126-L128 PolarHBondContact O-N 3.13Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.94Å; L128-A131 CarbonylContact O-C 3.58Å; L128-A131 WeakPolarHBondContact O-CA 3.34Å; L128-A131 WeakPolarHBondContact O-CB 3.37Å; L128-A131 PolarHBondContact O-N 2.95Å; L128-N132 PolarHBondContact O-N 3.36Å; L128-V133 CarbonylContact C-O 3.58Å; L128-V133 VanDerWaalsContact C-O 3.31Å; L128-V133 HydrophobicContact CB-CB 4.49Å; L128-V133 PolarHBondContact O-N 3.16Å; L128-H135 HydrophobicContact CD1-CB 4.11Å; L128-L153 HydrophobicContact CD1-CD2 3.8Å; L128-F156 HydrophobicContact CD1-CE1 3.86Å; L128-F156 HydrophobicContact CD1-CZ 4.5Å; L128-F156 HydrophobicContact CD2-CE1 3.63Å; L128-F156 HydrophobicContact CD2-CZ 4.32Å; L128-F156 HydrophobicContact CG-CE1 4.39Å
129H96.9Very high96.3Very high3 Ų36.5 Ų6.51%0.0143%0.034CC..Hα-helixtrans-66.4-35.4-175.5-76.2-166.2000111.6V125 L126 A131 N132 V133 K200 D203 I297V125-H129 VanDerWaalsContact CG1-CE1 3.4Å; V125-H129 WeakPolarHBondContact CG1-CE1 3.12Å; V125-H129 WeakPolarHBondContact CG1-NE2 3.36Å; V125-H129 VanDerWaalsContact O-CB 3.3Å; V125-H129 WeakPolarHBondContact O-CB 3.49Å; V125-H129 PolarHBondContact O-CD2 3.38Å; V125-H129 PolarHBondContact O-N 2.88Å; L126-H129 PolarHBondContact O-N 3.06Å; H129-A131 PolarHBondContact O-N 2.66Å; H129-N132 PolarHBondContact O-N 3.33Å; H129-V133 PolarHBondContact CD2-O 2.98Å; H129-K200 HydrophobicContact CB-CD 3.8Å; H129-K200 HydrophobicContact CB-CG 4.31Å; H129-K200 PolarHBondContact CE1-O 3.36Å; H129-K200 WeakPolarHBondContact O-CE 3.37Å; H129-K200 PolarHBondContact O-NZ 2.69Å; H129-D203 IonicContact CD2-OD2 2.73Å; H129-D203 IonicContact CE1-OD2 2.73Å; H129-D203 IonicContact NE2-OD2 3.07Å; H129-D203 PolarHBondContact NE2-OD2 2.99Å; H129-I297 HydrophobicContact CB-CG2 4.12Å
130S96.1Very high96.2Very high32 Ų326.5 Ų6.522%0.2243%0.034CC..Hα-helixtrans-64-25.2173.369.90000113.1L126 Y127 L128 N132 T317 M318L126-S130 VanDerWaalsContact O-CB 3.32Å; L126-S130 WeakPolarHBondContact O-CB 3.29Å; L126-S130 PolarHBondContact O-N 2.98Å; L126-S130 PolarHBondContact O-OG 3.3Å; Y127-S130 PolarHBondContact O-OG 3.44Å; L128-S130 VanDerWaalsContact C-N 3.32Å; L128-S130 PolarHBondContact O-N 2.94Å; S130-N132 VanDerWaalsContact C-N 3.29Å; S130-T317 WeakPolarHBondContact OG-CA 3.45Å; S130-M318 PolarHBondContact OG-N 2.9Å
131A94.3Very high96Very high0 Ų08.6 Ų8.60%05%0.049CC..THydrogen-bonded Turntrans-88.36.2173.800000113.7Y127 L128 H129 V133 M318 E321 I322Y127-A131 PolarHBondContact O-N 3.08Å; L128-A131 CarbonylContact O-C 3.58Å; L128-A131 WeakPolarHBondContact O-CA 3.34Å; L128-A131 WeakPolarHBondContact O-CB 3.37Å; L128-A131 PolarHBondContact O-N 2.95Å; H129-A131 PolarHBondContact O-N 2.66Å; A131-V133 HydrophobicContact CB-CG2 4.21Å; A131-V133 PolarHBondContact O-N 2.74Å; A131-M318 HydrophobicContact CB-CB 3.83Å; A131-M318 HydrophobicContact CB-CG 3.79Å; A131-E321 WeakPolarHBondContact O-CA 2.72Å; A131-I322 HydrophobicContact CB-CD1 3.67Å; A131-I322 HydrophobicContact CB-CG1 3.93Å; A131-I322 PolarHBondContact O-N 3.13Å; A131-I322 VanDerWaalsContact O-N 3.07Å
132N92.8Very high95.9Very high27 Ų279 Ų914%0.1445%0.052CC..THydrogen-bonded Turntrans59.426.8-172.1-147.918.7000114.4L128 H129 S130 S161 L162 E321L128-N132 PolarHBondContact O-N 3.36Å; H129-N132 PolarHBondContact O-N 3.33Å; S130-N132 VanDerWaalsContact C-N 3.29Å; N132-S161 WeakPolarHBondContact O-CA 2.98Å; N132-L162 PolarHBondContact O-N 3.33Å; N132-L162 WeakPolarHBondContact OD1-CB 3.42Å; N132-L162 WeakPolarHBondContact OD1-CD1 3.13Å; N132-E321 HydrophobicContact CB-CB 4.31Å; N132-E321 HydrophobicContact CB-CG 3.93Å; N132-E321 PolarHBondContact ND2-OE1 2.71Å
133V93.9Very high95.9Very high0 Ų09 Ų90%05%0.051CC..EExtended strand (participates in β ladder)trans-101.6134.6177.3176.30000110L63 L128 H129 A131 A159 R160 I322L63-V133 HydrophobicContact CD2-CG2 4.21Å; L128-V133 CarbonylContact C-O 3.58Å; L128-V133 VanDerWaalsContact C-O 3.31Å; L128-V133 HydrophobicContact CB-CB 4.49Å; L128-V133 PolarHBondContact O-N 3.16Å; H129-V133 PolarHBondContact CD2-O 2.98Å; A131-V133 HydrophobicContact CB-CG2 4.21Å; A131-V133 PolarHBondContact O-N 2.74Å; V133-A159 HydrophobicContact CG1-CB 4.26Å; V133-R160 WeakPolarHBondContact CA-O 3.4Å; V133-I322 HydrophobicContact CG2-CB 4.08Å; V133-I322 HydrophobicContact CG2-CD1 4.18Å
134I94.1Very high95.9Very high0 Ų010.8 Ų10.80%06%0.061CC..EExtended strand (participates in β ladder)trans-111.1140168.556.5171.1000110R136 A159 R160 L162 L165 K200 D203I134-R136 HydrophobicContact CB-CG 4.3Å; I134-R136 HydrophobicContact CD1-CG 3.63Å; I134-R136 HydrophobicContact CG1-CG 3.74Å; I134-A159 CarbonylContact O-C 3.55Å; I134-A159 WeakPolarHBondContact O-CA 3.38Å; I134-A159 WeakPolarHBondContact O-CB 3.36Å; I134-R160 HydrophobicContact CG1-CB 4.44Å; I134-R160 PolarHBondContact N-O 3.2Å; I134-R160 PolarHBondContact O-N 2.87Å; I134-L162 HydrophobicContact CD1-CD2 3.97Å; I134-L162 HydrophobicContact CG1-CD2 4.45Å; I134-L162 HydrophobicContact CG2-CD1 3.96Å; I134-L162 HydrophobicContact CG2-CD2 4.31Å; I134-L162 HydrophobicContact CG2-CG 4.11Å; I134-L165 HydrophobicContact CD1-CD1 3.87Å; I134-K200 HydrophobicContact CG2-CB 4.49Å; I134-K200 HydrophobicContact CG2-CG 4.06Å; I134-D203 VanDerWaalsContact CA-OD2 3.31Å; I134-D203 WeakPolarHBondContact CA-OD2 3.31Å
135H94.1Very high95.8Very high0 Ų010.9 Ų10.90%06%0.062CC..  trans-80.8-40.2-176.7-170.9-59.1000112.5L128 D137 L138 A154 D155 F156 L158 A159 D203L128-H135 HydrophobicContact CD1-CB 4.11Å; H135-D137 PolarHBondContact ND1-N 3.16Å; H135-D137 PolarHBondContact O-N 2.87Å; H135-L138 HydrophobicContact CB-CD2 3.72Å; H135-L138 HydrophobicContact CB-CG 3.95Å; H135-A154 PolarHBondContact NE2-O 2.99Å; H135-A154 VanDerWaalsContact NE2-O 3.08Å; H135-D155 PolarHBondContact CE1-O 3.23Å; H135-D155 PolarHBondContact NE2-O 2.98Å; H135-F156 AromaticContact CD2-CE1 3.74Å; H135-L158 CarbonylContact O-C 3.52Å; H135-A159 WeakPolarHBondContact O-CA 3.49Å; H135-A159 PolarHBondContact O-N 2.94Å; H135-D203 PolarHBondContact N-OD1 2.82Å; H135-D203 PolarHBondContact N-OD2 3.39Å
136R91.9Very high95.7Very high24 Ų2412.7 Ų12.79%0.0917%0.071CC..SBendtrans63.6-1.6178-50-166.7-57.61702.7117.6I134 L158 V202 D203I134-R136 HydrophobicContact CB-CG 4.3Å; I134-R136 HydrophobicContact CD1-CG 3.63Å; I134-R136 HydrophobicContact CG1-CG 3.74Å; R136-L158 PolarHBondContact NE-O 3.23Å; R136-L158 PolarHBondContact NH2-O 3.38Å; R136-V202 HydrophobicContact CB-CG1 4.39Å; R136-V202 HydrophobicContact CG-CG1 4.36Å; R136-D203 PolarHBondContact N-OD1 2.94Å
137D92.2Very high95.4Very high12 Ų1218 Ų186%0.06410%0.103CC..  trans-142.338.5179.1-164.133.2000110.4H135 K139 N142 L158H135-D137 PolarHBondContact ND1-N 3.16Å; H135-D137 PolarHBondContact O-N 2.87Å; D137-K139 PolarHBondContact O-N 3.33Å; D137-K139 IonicContact OD1-NZ 3.59Å; D137-K139 PolarHBondContact OD1-NZ 3.36Å; D137-K139 IonicContact OD2-NZ 3.08Å; D137-K139 PolarHBondContact OD2-NZ 3.31Å; D137-N142 PolarHBondContact O-ND2 3.2Å; D137-N142 PolarHBondContact OD2-ND2 3.11Å; D137-L158 HydrophobicContact CB-CB 4.18Å; D137-L158 HydrophobicContact CB-CD1 3.88Å
138L97Very high95.2Very high1 Ų123.4 Ų23.41%0.00513%0.133CC..  trans-67.7120.2170.3-63.6-176.9000108.5V125 H135 L153 Y186 D203 L207 I210V125-L138 HydrophobicContact CG2-CD1 3.87Å; H135-L138 HydrophobicContact CB-CD2 3.72Å; H135-L138 HydrophobicContact CB-CG 3.95Å; L138-L153 HydrophobicContact CD2-CD1 3.49Å; L138-L153 VanDerWaalsContact CD2-CD1 3.49Å; L138-L153 HydrophobicContact CD2-CD2 3.72Å; L138-L153 HydrophobicContact CD2-CG 4.22Å; L138-Y186 WeakPolarHBondContact O-CB 3.4Å; L138-D203 HydrophobicContact CD1-CB 3.65Å; L138-L207 HydrophobicContact CD1-CD2 4.13Å; L138-L207 HydrophobicContact CD1-CG 4.09Å; L138-I210 HydrophobicContact CB-CD1 4.08Å
139K96.2Very high95.1Very high22 Ų2224.5 Ų24.510%0.09614%0.14CC..  trans-156.5160.2176.559.3-173176.6-139.60109.4D137 S141 N142 V143 Y186D137-K139 PolarHBondContact O-N 3.33Å; D137-K139 IonicContact OD1-NZ 3.59Å; D137-K139 PolarHBondContact OD1-NZ 3.36Å; D137-K139 IonicContact OD2-NZ 3.08Å; D137-K139 PolarHBondContact OD2-NZ 3.31Å; K139-S141 WeakPolarHBondContact CD-OG 3.35Å; K139-S141 WeakPolarHBondContact CE-OG 3.12Å; K139-S141 WeakPolarHBondContact CG-OG 3.32Å; K139-S141 PolarHBondContact O-N 2.8Å; K139-S141 VanDerWaalsContact O-N 3.13Å; K139-N142 WeakPolarHBondContact CE-ND2 3.33Å; K139-N142 WeakPolarHBondContact CE-OD1 3.45Å; K139-N142 HydrophobicContact CG-CB 4.14Å; K139-N142 PolarHBondContact O-N 3.27Å; K139-V143 PolarHBondContact O-N 3.22Å; K139-Y186 HydrophobicContact CB-CD1 4.4Å; K139-Y186 HydrophobicContact CB-CD2 3.35Å; K139-Y186 HydrophobicContact CB-CE2 3.66Å; K139-Y186 HydrophobicContact CB-CG 3.77Å
140P96.9Very high95.1Very high1 Ų126.3 Ų26.31%0.00615%0.151CC..G310 helixtrans-56.8-32.4-176.5-27.637.2000114.3L99 H100 I103 N142 V143 Y186 I210L99-P140 HydrophobicContact CB-CB 4.17Å; L99-P140 WeakPolarHBondContact CB-O 3.5Å; L99-P140 HydrophobicContact CD2-CB 4.28Å; L99-P140 HydrophobicContact CG-CB 4.12Å; L99-P140 PolarHBondContact N-O 2.82Å; H100-P140 HydrophobicContact CB-CB 3.87Å; H100-P140 PolarHBondContact N-O 3.44Å; I103-P140 HydrophobicContact CD1-CB 4.27Å; I103-P140 HydrophobicContact CD1-CG 4.34Å; P140-N142 PolarHBondContact O-N 2.67Å; P140-V143 PolarHBondContact O-N 3.44Å; P140-Y186 WeakPolarHBondContact CD-OH 3.41Å; P140-Y186 HydrophobicContact CG-CE1 3.86Å; P140-I210 HydrophobicContact CG-CG1 4.18Å
141S94.6Very high95.2Very high51 Ų5124.8 Ų24.836%0.35714%0.14SC..G310 helixtrans-68.9-18.5177.1660000114.1K139K139-S141 WeakPolarHBondContact CD-OG 3.35Å; K139-S141 WeakPolarHBondContact CE-OG 3.12Å; K139-S141 WeakPolarHBondContact CG-OG 3.32Å; K139-S141 PolarHBondContact O-N 2.8Å; K139-S141 VanDerWaalsContact O-N 3.13Å
142N95.8Very high95.4Very high12 Ų1225.5 Ų25.56%0.06414%0.144CC..G310 helixtrans-97.8-1.7179.4-70.34.6000112.1D137 K139 P140 A154D137-N142 PolarHBondContact O-ND2 3.2Å; D137-N142 PolarHBondContact OD2-ND2 3.11Å; K139-N142 WeakPolarHBondContact CE-ND2 3.33Å; K139-N142 WeakPolarHBondContact CE-OD1 3.45Å; K139-N142 HydrophobicContact CG-CB 4.14Å; K139-N142 PolarHBondContact O-N 3.27Å; P140-N142 PolarHBondContact O-N 2.67Å; N142-A154 PolarHBondContact O-N 3.45Å
143V98.2Very high95.7Very high0 Ų024.2 Ų24.20%014%0.137CC..EExtended strand (participates in β ladder)trans-100.699.5174.2-178.70000107.8D98 L99 L121 K139 P140 V151D98-V143 CarbonylContact C-O 3.52Å; D98-V143 WeakPolarHBondContact CA-O 3.39Å; L99-V143 HydrophobicContact CB-CB 3.85Å; L99-V143 HydrophobicContact CB-CG1 4.05Å; L99-V143 HydrophobicContact CD2-CB 4.13Å; L99-V143 HydrophobicContact CD2-CG1 4.08Å; L99-V143 HydrophobicContact CD2-CG2 4.44Å; L99-V143 PolarHBondContact N-O 3.38Å; L121-V143 HydrophobicContact CD1-CG2 4.02Å; L121-V143 HydrophobicContact CD2-CG2 4.15Å; K139-V143 PolarHBondContact O-N 3.22Å; P140-V143 PolarHBondContact O-N 3.44Å; V143-V151 HydrophobicContact CG1-CG1 3.82Å; V143-V151 HydrophobicContact CG1-CG2 4.24Å
144L98.3Very high95.8Very high39 Ų3924.9 Ų24.920%0.20414%0.142CC..EExtended strand (participates in β ladder)trans-84.6147.9-179.7-52.8-179.3000111I74 M95 D98 V151 K152 A154I74-L144 HydrophobicContact CD1-CD1 3.95Å; I74-L144 HydrophobicContact CG1-CD1 4.29Å; M95-L144 HydrophobicContact CB-CB 3.79Å; M95-L144 HydrophobicContact CB-CD1 4.31Å; M95-L144 HydrophobicContact CE-CB 4.32Å; M95-L144 HydrophobicContact CG-CB 3.71Å; M95-L144 HydrophobicContact CG-CD1 3.99Å; D98-L144 HydrophobicContact CB-CD2 3.95Å; L144-V151 CarbonylContact O-C 3.28Å; L144-V151 WeakPolarHBondContact O-CA 3.4Å; L144-K152 HydrophobicContact CB-CB 4.45Å; L144-K152 WeakPolarHBondContact CB-O 3.38Å; L144-K152 PolarHBondContact N-O 3.49Å; L144-K152 PolarHBondContact O-N 3.3Å; L144-A154 HydrophobicContact CD1-CB 3.71Å; L144-A154 HydrophobicContact CG-CB 3.98Å
145L97.8Very high95.7Very high2 Ų227 Ų271%0.0115%0.153CC..EExtended strand (participates in β ladder)trans-133.8141.2-176.8-61.5171.3000111.1D96 T97 L99 V102 I117 T150 V151D96-L145 PolarHBondContact N-O 3.02Å; T97-L145 HydrophobicContact CG2-CB 3.93Å; T97-L145 PolarHBondContact N-O 3.12Å; T97-L145 VanDerWaalsContact N-O 3.1Å; T97-L145 PolarHBondContact O-N 3.16Å; L99-L145 HydrophobicContact CB-CD1 4.24Å; L99-L145 HydrophobicContact CD1-CD1 4.05Å; V102-L145 HydrophobicContact CB-CD1 4.41Å; V102-L145 HydrophobicContact CG2-CD1 3.87Å; I117-L145 HydrophobicContact CD1-CD1 4.15Å; I117-L145 HydrophobicContact CD1-CD2 4.31Å; I117-L145 HydrophobicContact CG1-CD2 4.13Å; L145-T150 WeakPolarHBondContact CA-O 3.44Å; L145-V151 HydrophobicContact CD2-CB 4.46Å; L145-V151 HydrophobicContact CD2-CG2 3.66Å
146D95.5Very high95.6Very high38 Ų3827 Ų2720%0.20315%0.153CC..  trans-94.6180168.471.46.9000110.3M95 D96 N148 C149 T150M95-D146 HydrophobicContact CE-CB 4.06Å; D96-D146 WeakPolarHBondContact OD2-CA 3.4Å; D146-N148 PolarHBondContact O-N 3.05Å; D146-N148 VanDerWaalsContact O-N 3.1Å; D146-N148 VanDerWaalsContact OD1-CA 3.32Å; D146-N148 WeakPolarHBondContact OD1-CA 3.42Å; D146-N148 WeakPolarHBondContact OD1-CB 3.21Å; D146-N148 PolarHBondContact OD1-N 3.37Å; D146-C149 PolarHBondContact O-N 3.32Å; D146-C149 PolarHBondContact OD1-N 3.12Å; D146-C149 VanDerWaalsContact OD1-N 3.12Å; D146-T150 VanDerWaalsContact CG-CB 3.47Å; D146-T150 PolarHBondContact N-O 3.46Å; D146-T150 WeakPolarHBondContact OD1-CB 3.33Å; D146-T150 PolarHBondContact OD1-N 3.47Å; D146-T150 PolarHBondContact OD1-OG1 3.33Å; D146-T150 WeakPolarHBondContact OD2-CB 3.4Å; D146-T150 PolarHBondContact OD2-OG1 3.1Å
147V92.8Very high95.4Very high113 Ų11326 Ų2669%0.68515%0.151SC*.THydrogen-bonded Turntrans-56.2-22.5175.8-62.50000114.8D96D96-V147 WeakPolarHBondContact OD2-CG1 3.45Å; D96-V147 PolarHBondContact OD2-N 3.36Å; D96-V147 VanDerWaalsContact OD2-N 3.12Å
148N93.5Very high95.2Very high115 Ų11526.5 Ų26.562%0.61515%0.154SC*.THydrogen-bonded Turntrans-96.58.3-179.3-60.5-44.6000112.8D146 T150D146-N148 PolarHBondContact O-N 3.05Å; D146-N148 VanDerWaalsContact O-N 3.1Å; D146-N148 VanDerWaalsContact OD1-CA 3.32Å; D146-N148 WeakPolarHBondContact OD1-CA 3.42Å; D146-N148 WeakPolarHBondContact OD1-CB 3.21Å; D146-N148 PolarHBondContact OD1-N 3.37Å; N148-T150 PolarHBondContact O-N 2.95Å
149C94.4Very high94.9Very high23 Ų2326.5 Ų26.516%0.15515%0.153CC..  trans60.625.1-171.8-58.50000113.8F116 Q120 D146 V151F116-C149 HydrophobicContact CD1-CB 4.39Å; Q120-C149 PolarHBondContact NE2-O 3.43Å; D146-C149 PolarHBondContact O-N 3.32Å; D146-C149 PolarHBondContact OD1-N 3.12Å; D146-C149 VanDerWaalsContact OD1-N 3.12Å; C149-V151 PolarHBondContact O-N 2.94Å
150T97.2Very high94.4Very high40 Ų4025.8 Ų25.825%0.24515%0.15CC..  trans-68124.5170.2-47.80000108.9M95 L145 D146 N148M95-T150 WeakPolarHBondContact CE-O 3.31Å; L145-T150 WeakPolarHBondContact CA-O 3.44Å; D146-T150 VanDerWaalsContact CG-CB 3.47Å; D146-T150 PolarHBondContact N-O 3.46Å; D146-T150 WeakPolarHBondContact OD1-CB 3.33Å; D146-T150 PolarHBondContact OD1-N 3.47Å; D146-T150 PolarHBondContact OD1-OG1 3.33Å; D146-T150 WeakPolarHBondContact OD2-CB 3.4Å; D146-T150 PolarHBondContact OD2-OG1 3.1Å; N148-T150 PolarHBondContact O-N 2.95Å
151V98.5Very high93.8Very high0 Ų026.8 Ų26.80%016%0.157CC..EExtended strand (participates in β ladder)trans-81.8135.7-179.9168.40000110.5N72 I117 Q120 L121 V143 L144 L145 C149N72-V151 WeakPolarHBondContact CA-O 3.38Å; N72-V151 WeakPolarHBondContact CB-O 3.19Å; N72-V151 PolarHBondContact ND2-O 3.39Å; I117-V151 HydrophobicContact CB-CG2 4.18Å; I117-V151 HydrophobicContact CG1-CG2 4.22Å; I117-V151 HydrophobicContact CG2-CG2 3.83Å; Q120-V151 HydrophobicContact CB-CB 3.76Å; Q120-V151 HydrophobicContact CB-CG2 3.91Å; L121-V151 HydrophobicContact CD1-CG1 4.45Å; V143-V151 HydrophobicContact CG1-CG1 3.82Å; V143-V151 HydrophobicContact CG1-CG2 4.24Å; L144-V151 CarbonylContact O-C 3.28Å; L144-V151 WeakPolarHBondContact O-CA 3.4Å; L145-V151 HydrophobicContact CD2-CB 4.46Å; L145-V151 HydrophobicContact CD2-CG2 3.66Å; C149-V151 PolarHBondContact O-N 2.94Å
152K98.5Very high93.1Very high16 Ų1625.5 Ų25.57%0.0715%0.146CC..EExtended strand (participates in β ladder)trans-130118.3160.1-68.6-173.1-173.5-890111.1P71 N72 I74 E93 M95 L144P71-K152 PolarHBondContact O-NZ 3.11Å; N72-K152 WeakPolarHBondContact O-CA 3.47Å; I74-K152 HydrophobicContact CB-CB 4.34Å; I74-K152 HydrophobicContact CD1-CB 4.13Å; I74-K152 HydrophobicContact CD1-CD 3.8Å; E93-K152 VanDerWaalsContact CD-CD 3.44Å; E93-K152 HydrophobicContact CG-CD 4.11Å; E93-K152 WeakPolarHBondContact OE1-CD 3.48Å; E93-K152 WeakPolarHBondContact OE1-CE 3.37Å; E93-K152 IonicContact OE1-NZ 2.69Å; E93-K152 PolarHBondContact OE1-NZ 3.12Å; E93-K152 WeakPolarHBondContact OE2-CE 3.42Å; E93-K152 IonicContact OE2-NZ 3.86Å; E93-K152 PolarHBondContact OE2-NZ 3.49Å; M95-K152 HydrophobicContact CE-CB 3.89Å; M95-K152 HydrophobicContact CE-CD 3.8Å; M95-K152 HydrophobicContact CE-CG 3.71Å; M95-K152 HydrophobicContact CG-CD 4.39Å; M95-K152 HydrophobicContact SD-CB 4.41Å; M95-K152 HydrophobicContact SD-CD 3.51Å; M95-K152 VanDerWaalsContact SD-CD 3.51Å; M95-K152 HydrophobicContact SD-CG 4.13Å; L144-K152 HydrophobicContact CB-CB 4.45Å; L144-K152 WeakPolarHBondContact CB-O 3.38Å; L144-K152 PolarHBondContact N-O 3.49Å; L144-K152 PolarHBondContact O-N 3.3Å
153L98.5Very high91.8Very high0 Ų027.5 Ų27.50%016%0.159CC..EExtended strand (participates in β ladder)trans-75.1134.2174.3-176.258.9000110.1N72 I73 I74 L121 A124 L128 L138 F156N72-L153 PolarHBondContact O-N 3.41Å; I73-L153 HydrophobicContact CD1-CB 4.24Å; I73-L153 HydrophobicContact CD1-CD2 4.4Å; I74-L153 WeakPolarHBondContact CB-O 3.45Å; I74-L153 WeakPolarHBondContact CG2-O 3.4Å; I74-L153 PolarHBondContact N-O 3.1Å; L121-L153 HydrophobicContact CD1-CD1 4.32Å; A124-L153 HydrophobicContact CB-CB 4.35Å; A124-L153 HydrophobicContact CB-CD2 4.31Å; L128-L153 HydrophobicContact CD1-CD2 3.8Å; L138-L153 HydrophobicContact CD2-CD1 3.49Å; L138-L153 VanDerWaalsContact CD2-CD1 3.49Å; L138-L153 HydrophobicContact CD2-CD2 3.72Å; L138-L153 HydrophobicContact CD2-CG 4.22Å; L153-F156 HydrophobicContact CD2-CZ 4.23Å; L153-F156 HydrophobicContact CG-CZ 4.06Å
154A96Very high90Very high13 Ų1328.2 Ų28.211%0.10717%0.166CC..  trans-133.2172-175.900000111.9I74 H135 N142 L144I74-A154 HydrophobicContact CB-CB 4.18Å; I74-A154 HydrophobicContact CG2-CB 3.81Å; H135-A154 PolarHBondContact NE2-O 2.99Å; H135-A154 VanDerWaalsContact NE2-O 3.08Å; N142-A154 PolarHBondContact O-N 3.45Å; L144-A154 HydrophobicContact CD1-CB 3.71Å; L144-A154 HydrophobicContact CG-CB 3.98Å
155D91.9Very high88.1Confident44 Ų4426.9 Ų26.924%0.23516%0.159CC..  trans66.272.3177.3-164.20.4000115H135 G157H135-D155 PolarHBondContact CE1-O 3.23Å; H135-D155 PolarHBondContact NE2-O 2.98Å; D155-G157 VanDerWaalsContact C-N 3.27Å; D155-G157 PolarHBondContact O-N 2.81Å
156F92.9Very high86.2Confident0 Ų034 Ų340%019%0.192CC..G310 helixtrans-87.311.3178.7-68.5-94.6000113.4E60 L63 L64 L67 I73 L128 H135 L153 L158 A159E60-F156 HydrophobicContact CG-CB 4.39Å; L63-F156 HydrophobicContact CB-CB 4.46Å; L63-F156 HydrophobicContact CD1-CB 4.35Å; L64-F156 HydrophobicContact CD2-CD2 3.58Å; L64-F156 HydrophobicContact CD2-CE2 3.8Å; L64-F156 HydrophobicContact CD2-CG 4.49Å; L64-F156 HydrophobicContact CG-CD2 4.05Å; L67-F156 HydrophobicContact CD1-CD1 4Å; L67-F156 HydrophobicContact CD1-CE1 3.77Å; L67-F156 HydrophobicContact CD1-CZ 4.33Å; I73-F156 HydrophobicContact CD1-CZ 3.88Å; I73-F156 HydrophobicContact CG2-CE2 4.03Å; I73-F156 HydrophobicContact CG2-CZ 3.99Å; L128-F156 HydrophobicContact CD1-CE1 3.86Å; L128-F156 HydrophobicContact CD1-CZ 4.5Å; L128-F156 HydrophobicContact CD2-CE1 3.63Å; L128-F156 HydrophobicContact CD2-CZ 4.32Å; L128-F156 HydrophobicContact CG-CE1 4.39Å; H135-F156 AromaticContact CD2-CE1 3.74Å; L153-F156 HydrophobicContact CD2-CZ 4.23Å; L153-F156 HydrophobicContact CG-CZ 4.06Å; F156-L158 PolarHBondContact O-N 2.91Å; F156-L158 VanDerWaalsContact O-N 3.16Å; F156-A159 HydrophobicContact CB-CB 4.2Å; F156-A159 HydrophobicContact CD1-CB 4.06Å; F156-A159 WeakPolarHBondContact O-CB 3.36Å; F156-A159 PolarHBondContact O-N 3.39Å
157G87.2Confident83.9Confident5 Ų538.4 Ų38.45%0.05222%0.216CC..G310 helixtrans-60.2-29-176.600000113R56 R59 D155R56-G157 WeakPolarHBondContact CG-O 3.42Å; R59-G157 PolarHBondContact NH1-O 2.86Å; D155-G157 VanDerWaalsContact C-N 3.27Å; D155-G157 PolarHBondContact O-N 2.81Å
158L87.5Confident81.9Confident22 Ų2234.2 Ų34.212%0.11519%0.191CC..G310 helixtrans-100.9-1.6176.8-66.1-179.4000114.4H135 R136 D137 F156 P175H135-L158 CarbonylContact O-C 3.52Å; R136-L158 PolarHBondContact NE-O 3.23Å; R136-L158 PolarHBondContact NH2-O 3.38Å; D137-L158 HydrophobicContact CB-CB 4.18Å; D137-L158 HydrophobicContact CB-CD1 3.88Å; F156-L158 PolarHBondContact O-N 2.91Å; F156-L158 VanDerWaalsContact O-N 3.16Å; L158-P175 HydrophobicContact CD2-CB 4.47Å
159A90.6Very high79.5Confident0 Ų036.7 Ų36.70%020%0.204CC..  trans-62.1162178.600000111.5R59 L63 V133 I134 H135 F156R59-A159 WeakPolarHBondContact CD-O 3.46Å; R59-A159 PolarHBondContact NE-O 3.28Å; L63-A159 HydrophobicContact CD1-CB 3.53Å; V133-A159 HydrophobicContact CG1-CB 4.26Å; I134-A159 CarbonylContact O-C 3.55Å; I134-A159 WeakPolarHBondContact O-CA 3.38Å; I134-A159 WeakPolarHBondContact O-CB 3.36Å; H135-A159 WeakPolarHBondContact O-CA 3.49Å; H135-A159 PolarHBondContact O-N 2.94Å; F156-A159 HydrophobicContact CB-CB 4.2Å; F156-A159 HydrophobicContact CD1-CB 4.06Å; F156-A159 WeakPolarHBondContact O-CB 3.36Å; F156-A159 PolarHBondContact O-N 3.39Å
160R86.8Confident77.1Confident7 Ų738.5 Ų38.53%0.02621%0.212CC..EExtended strand (participates in β ladder)trans-151.7150.2175.8-69.1-67.7-103.9-131.5-5.1110.7V133 I134 L165 S173 D328V133-R160 WeakPolarHBondContact CA-O 3.4Å; I134-R160 HydrophobicContact CG1-CB 4.44Å; I134-R160 PolarHBondContact N-O 3.2Å; I134-R160 PolarHBondContact O-N 2.87Å; R160-L165 HydrophobicContact CB-CD1 4.05Å; R160-L165 HydrophobicContact CB-CG 4.35Å; R160-S173 PolarHBondContact NH2-OG 3.23Å; R160-D328 WeakPolarHBondContact CD-OD2 3.3Å; R160-D328 VanDerWaalsContact CZ-O 3.29Å; R160-D328 IonicContact CZ-OD2 2.8Å; R160-D328 IonicContact NE-OD2 2.81Å; R160-D328 PolarHBondContact NH1-O 3.17Å; R160-D328 IonicContact NH1-OD2 3Å; R160-D328 PolarHBondContact NH2-O 3.49Å
161S84.3Confident74.5Confident22 Ų2240.3 Ų40.315%0.15423%0.226CC..EExtended strand (participates in β ladder)trans-77.7138.6160.9-177.80000109.9N132 T163 G164 L165N132-S161 WeakPolarHBondContact O-CA 2.98Å; S161-T163 PolarHBondContact OG-OG1 3.28Å; S161-G164 PolarHBondContact O-N 2.78Å; S161-L165 PolarHBondContact O-N 2.83Å
162L78.7Confident71.6Confident25 Ų2545 Ų4513%0.13126%0.255CS..Hα-helixtrans-69.1-32.7179.8-77.1166.3000112.8N132 I134 G164 L165 E166 Y198 K200N132-L162 PolarHBondContact O-N 3.33Å; N132-L162 WeakPolarHBondContact OD1-CB 3.42Å; N132-L162 WeakPolarHBondContact OD1-CD1 3.13Å; I134-L162 HydrophobicContact CD1-CD2 3.97Å; I134-L162 HydrophobicContact CG1-CD2 4.45Å; I134-L162 HydrophobicContact CG2-CD1 3.96Å; I134-L162 HydrophobicContact CG2-CD2 4.31Å; I134-L162 HydrophobicContact CG2-CG 4.11Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 3.36Å; L162-L165 HydrophobicContact CD2-CD1 4Å; L162-L165 WeakPolarHBondContact O-CB 3.36Å; L162-L165 PolarHBondContact O-N 2.86Å; L162-E166 PolarHBondContact O-N 2.94Å; L162-Y198 WeakPolarHBondContact CD2-O 3.32Å; L162-K200 HydrophobicContact CD1-CG 3.8Å
163T69.1Low68.9Low54 Ų5446.3 Ų46.333%0.33127%0.266SS..Hα-helixtrans-62-35.2173.8440000112.3S161 L165 E321S161-T163 PolarHBondContact OG-OG1 3.28Å; T163-L165 VanDerWaalsContact C-N 3.28Å; T163-L165 PolarHBondContact O-N 2.91Å; T163-E321 WeakPolarHBondContact CG2-OE2 3.31Å
164G59.5Low66.4Low14 Ų1451.3 Ų51.314%0.14429%0.286CS..Hα-helixtrans-69.5-22.3174.100000114S161 L162 S168S161-G164 PolarHBondContact O-N 2.78Å; L162-G164 VanDerWaalsContact C-N 3.26Å; L162-G164 PolarHBondContact O-N 3.36Å; G164-S168 PolarHBondContact O-N 3.37Å
165L59.2Low64Low11 Ų1151.9 Ų51.96%0.05829%0.289CS..Hα-helixtrans-81.4-27.8179.4-78.1164000113I134 R160 S161 L162 T163 N167 S168 Y198I134-L165 HydrophobicContact CD1-CD1 3.87Å; R160-L165 HydrophobicContact CB-CD1 4.05Å; R160-L165 HydrophobicContact CB-CG 4.35Å; S161-L165 PolarHBondContact O-N 2.83Å; L162-L165 HydrophobicContact CD2-CD1 4Å; L162-L165 WeakPolarHBondContact O-CB 3.36Å; L162-L165 PolarHBondContact O-N 2.86Å; T163-L165 VanDerWaalsContact C-N 3.28Å; T163-L165 PolarHBondContact O-N 2.91Å; L165-N167 VanDerWaalsContact C-N 3.28Å; L165-S168 PolarHBondContact O-OG 3.35Å; L165-Y198 HydrophobicContact CD1-CD2 4.46Å; L165-Y198 HydrophobicContact CD2-CD2 4.29Å
166E57.1Low61.6Low153 Ų15352.9 Ų52.972%0.71529%0.292SS*.Hα-helixtrans-67.3-33.9172.9-66.7-175.4164.100111.5L162L162-E166 PolarHBondContact O-N 2.94Å
167N48.3Very low58.8Low129 Ų12960.6 Ų60.669%0.6933%0.332SS*.Hα-helixtrans-87.3-13.9179-67.4-21.6000113.9L165 L169L165-N167 VanDerWaalsContact C-N 3.28Å; N167-L169 PolarHBondContact O-N 2.88Å
168S50.5Low56.7Low25 Ų2563.6 Ų63.618%0.17535%0.35CS..  trans-73100.8-17962.20000110.7G164 L165 D170G164-S168 PolarHBondContact O-N 3.37Å; L165-S168 PolarHBondContact O-OG 3.35Å; S168-D170 PolarHBondContact O-N 2.98Å
169L43.5Very low54.7Low167 Ų16767.8 Ų67.887%0.87437%0.368SS*.  trans-62.7-19161.9-69.4168000111.6N167 S171N167-L169 PolarHBondContact O-N 2.88Å; L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.32Å
170D43.1Very low52.8Low61 Ų6173.5 Ų73.533%0.32639%0.391SS..  trans-75.183-178.9-81.5-19.3000112.5S168 T172S168-D170 PolarHBondContact O-N 2.98Å; D170-T172 WeakPolarHBondContact CB-OG1 3.27Å; D170-T172 VanDerWaalsContact CG-OG1 3.23Å; D170-T172 PolarHBondContact O-N 3.23Å; D170-T172 VanDerWaalsContact O-N 3.12Å; D170-T172 PolarHBondContact OD1-OG1 2.87Å
171S42.5Very low51.2Low78 Ų7876.9 Ų76.955%0.54541%0.412SS..THydrogen-bonded Turntrans-56.9-3.2148.749.40000113.5L169 Y174L169-S171 VanDerWaalsContact C-N 3.33Å; L169-S171 PolarHBondContact O-N 3.32Å; S171-Y174 WeakPolarHBondContact O-CD2 3.27Å; S171-Y174 WeakPolarHBondContact O-CE2 3.37Å
172T37.8Very low49.9Very low100 Ų10078.3 Ų78.361%0.61343%0.426SS*.THydrogen-bonded Turntrans-90-18.5-175.951.10000114.1D170 Y174D170-T172 WeakPolarHBondContact CB-OG1 3.27Å; D170-T172 VanDerWaalsContact CG-OG1 3.23Å; D170-T172 PolarHBondContact O-N 3.23Å; D170-T172 VanDerWaalsContact O-N 3.12Å; D170-T172 PolarHBondContact OD1-OG1 2.87Å; T172-Y174 PolarHBondContact O-N 3.42Å; T172-Y174 VanDerWaalsContact O-N 3.12Å
173S43Very low49.6Very low42 Ų4278.4 Ų78.429%0.29443%0.427SS..  trans-86.741.9171.666.90000112.1R160R160-S173 PolarHBondContact NH2-OG 3.23Å
174Y45.9Very low50.6Low105 Ų10576 Ų7641%0.41241%0.412SS..SBendtrans-49.4128.2151.5-68.9-65.5000105.9S171 T172 E176 A194S171-Y174 WeakPolarHBondContact O-CD2 3.27Å; S171-Y174 WeakPolarHBondContact O-CE2 3.37Å; T172-Y174 PolarHBondContact O-N 3.42Å; T172-Y174 VanDerWaalsContact O-N 3.12Å; Y174-E176 VanDerWaalsContact C-N 3.34Å; Y174-E176 WeakPolarHBondContact O-CA 3.31Å; Y174-E176 PolarHBondContact O-N 3.44Å; Y174-A194 HydrophobicContact CE1-CB 3.55Å
175P44.6Very low52.3Low26 Ų2677.9 Ų77.917%0.16942%0.415CS..SBendtrans-51114.8167.322-29.5000104.2L158 L177L158-P175 HydrophobicContact CD2-CB 4.47Å; P175-L177 PolarHBondContact O-N 2.76Å
176E41.2Very low54.1Low64 Ų6478.1 Ų78.130%0.29942%0.415SS..  trans-37.6140-161.9-72151.8143.400110.5T52 R56 Y174 T178T52-E176 HydrophobicContact CG2-CG 4.48Å; R56-E176 IonicContact CZ-OE2 3.44Å; R56-E176 IonicContact NH1-OE2 3.82Å; R56-E176 IonicContact NH2-OE2 2.7Å; R56-E176 PolarHBondContact NH2-OE2 3.15Å; Y174-E176 VanDerWaalsContact C-N 3.34Å; Y174-E176 WeakPolarHBondContact O-CA 3.31Å; Y174-E176 PolarHBondContact O-N 3.44Å; E176-T178 WeakPolarHBondContact CB-OG1 3.26Å; E176-T178 CarbonylContact O-C 3.52Å; E176-T178 WeakPolarHBondContact O-CA 3.37Å; E176-T178 PolarHBondContact O-N 3.38Å; E176-T178 PolarHBondContact O-OG1 3.14Å
177L35.2Very low55.9Low163 Ų16373 Ų7385%0.85339%0.389SS*.SBendtrans-50.57.6169.5-74.4153.6000114.2P175 E179P175-L177 PolarHBondContact O-N 2.76Å; L177-E179 PolarHBondContact O-N 3.11Å
178T42.9Very low58.1Low68 Ų6866.8 Ų66.842%0.41736%0.356SS..  trans-57.880.9153.95.40000109.8E176 Y180E176-T178 WeakPolarHBondContact CB-OG1 3.26Å; E176-T178 CarbonylContact O-C 3.52Å; E176-T178 WeakPolarHBondContact O-CA 3.37Å; E176-T178 PolarHBondContact O-N 3.38Å; E176-T178 PolarHBondContact O-OG1 3.14Å; T178-Y180 HydrophobicContact CG2-CE2 3.99Å; T178-Y180 PolarHBondContact O-N 2.87Å
179E44.4Very low60.1Low109 Ų10965.8 Ų65.851%0.50935%0.349SS..  trans-56.969.6166.9-80.5-157.2130.600111.9L177 V181 R184L177-E179 PolarHBondContact O-N 3.11Å; E179-V181 PolarHBondContact O-N 3.02Å; E179-V181 VanDerWaalsContact O-N 3.08Å; E179-R184 VanDerWaalsContact CB-NH2 3.28Å; E179-R184 VanDerWaalsContact CG-NH2 3.31Å; E179-R184 IonicContact OE1-CZ 3.25Å; E179-R184 IonicContact OE1-NH2 2.67Å; E179-R184 PolarHBondContact OE1-NH2 2.75Å; E179-R184 IonicContact OE2-NH2 3.35Å
180Y51.4Low62.3Low120 Ų12058 Ų5847%0.47131%0.308SS..  trans-69.1109.5161.6-70.6-72.5000107.7A23 T178 A182 T183A23-Y180 HydrophobicContact CB-CE2 4.14Å; T178-Y180 HydrophobicContact CG2-CE2 3.99Å; T178-Y180 PolarHBondContact O-N 2.87Å; Y180-A182 PolarHBondContact O-N 3.03Å; Y180-T183 PolarHBondContact O-N 2.74Å
181V53.2Low64.5Low79 Ų7956 Ų5648%0.47930%0.297SS..THydrogen-bonded Turntrans-49.2-37.8-168.9175.60000113.3E179 R184 W185E179-V181 PolarHBondContact O-N 3.02Å; E179-V181 VanDerWaalsContact O-N 3.08Å; V181-R184 WeakPolarHBondContact O-CG 3.32Å; V181-W185 HydrophobicContact CG1-CZ2 4.35Å; V181-W185 PolarHBondContact O-NE1 3.12Å
182A55.9Low66.7Low52 Ų5252.8 Ų52.843%0.4327%0.274SS..THydrogen-bonded Turntrans-80.6-27.4-178.500000114.1Y180 R184 W185Y180-A182 PolarHBondContact O-N 3.03Å; A182-R184 PolarHBondContact O-N 3.09Å; A182-W185 HydrophobicContact CB-CE3 4.34Å; A182-W185 HydrophobicContact CB-CH2 4.46Å; A182-W185 HydrophobicContact CB-CZ3 4.27Å; A182-W185 PolarHBondContact O-N 2.81Å
183T74.2Confident69.1Low26 Ų2648 Ų4816%0.1625%0.245CC..THydrogen-bonded Turntrans-68.5-19.1-175-52.20000112.2Y180 R187Y180-T183 PolarHBondContact O-N 2.74Å; T183-R187 PolarHBondContact O-NE 3.49Å
184R89.7Confident70.9Confident3 Ų347.5 Ų47.51%0.01124%0.242CC..THydrogen-bonded Turntrans-82.6-17.2179.575.7179.564.6108.7-10.6114.9E179 V181 A182 Y186 R187 L192 G223 T224 Q229E179-R184 VanDerWaalsContact CB-NH2 3.28Å; E179-R184 VanDerWaalsContact CG-NH2 3.31Å; E179-R184 IonicContact OE1-CZ 3.25Å; E179-R184 IonicContact OE1-NH2 2.67Å; E179-R184 PolarHBondContact OE1-NH2 2.75Å; E179-R184 IonicContact OE2-NH2 3.35Å; V181-R184 WeakPolarHBondContact O-CG 3.32Å; A182-R184 PolarHBondContact O-N 3.09Å; R184-Y186 PolarHBondContact O-N 3.22Å; R184-R187 PolarHBondContact O-N 2.78Å; R184-R187 VanDerWaalsContact O-N 3.12Å; R184-L192 HydrophobicContact CB-CD2 4.34Å; R184-G223 PolarHBondContact NH1-O 3.14Å; R184-T224 PolarHBondContact NH1-O 2.85Å; R184-Q229 HydrophobicContact CG-CG 4.39Å
185W95.7Very high72.4Confident55 Ų5542.8 Ų42.821%0.20823%0.225CC..THydrogen-bonded Turntrans-65.4-23-170.3-63-16.2000114.2V181 A182 P219 F221 T222 G223 Q229V181-W185 HydrophobicContact CG1-CZ2 4.35Å; V181-W185 PolarHBondContact O-NE1 3.12Å; A182-W185 HydrophobicContact CB-CE3 4.34Å; A182-W185 HydrophobicContact CB-CH2 4.46Å; A182-W185 HydrophobicContact CB-CZ3 4.27Å; A182-W185 PolarHBondContact O-N 2.81Å; W185-P219 HydrophobicContact CD2-CB 4.43Å; W185-P219 HydrophobicContact CE3-CB 3.78Å; W185-P219 HydrophobicContact CE3-CG 3.61Å; W185-P219 HydrophobicContact CZ3-CB 4.3Å; W185-P219 HydrophobicContact CZ3-CG 3.69Å; W185-F221 WeakPolarHBondContact CB-O 3.14Å; W185-F221 VanDerWaalsContact CD1-O 3.22Å; W185-T222 HydrophobicContact CD2-CG2 4.23Å; W185-T222 HydrophobicContact CE3-CG2 4.36Å; W185-T222 HydrophobicContact CH2-CG2 4.34Å; W185-T222 HydrophobicContact CZ2-CG2 4.21Å; W185-T222 HydrophobicContact CZ3-CG2 4.42Å; W185-G223 PolarHBondContact NE1-O 3.18Å; W185-Q229 PolarHBondContact O-NE2 3.12Å
186Y96.8Very high73.8Confident15 Ų1549 Ų496%0.05925%0.25CC..THydrogen-bonded Turntrans-105.9-3.3179.8-47.2-82.9000112.6L138 K139 P140 R184 W205 S206 C209 I210 E213L138-Y186 WeakPolarHBondContact O-CB 3.4Å; K139-Y186 HydrophobicContact CB-CD1 4.4Å; K139-Y186 HydrophobicContact CB-CD2 3.35Å; K139-Y186 HydrophobicContact CB-CE2 3.66Å; K139-Y186 HydrophobicContact CB-CG 3.77Å; P140-Y186 WeakPolarHBondContact CD-OH 3.41Å; P140-Y186 HydrophobicContact CG-CE1 3.86Å; R184-Y186 PolarHBondContact O-N 3.22Å; Y186-W205 VanDerWaalsContact O-CD1 3.27Å; Y186-S206 PolarHBondContact O-OG 3.28Å; Y186-C209 HydrophobicContact CD1-CB 3.79Å; Y186-I210 HydrophobicContact CD1-CG1 4.25Å; Y186-E213 WeakPolarHBondContact CE1-OE2 3.07Å; Y186-E213 VanDerWaalsContact OH-CD 3.31Å; Y186-E213 PolarHBondContact OH-OE1 3.08Å; Y186-E213 PolarHBondContact OH-OE2 3.33Å
187R94Very high75.4Confident45 Ų4551 Ų5117%0.1726%0.258CS..  trans-71.6136-178-69.7-179.8-175.9-178.6-4110.5T183 R184 I191 L192 W205T183-R187 PolarHBondContact O-NE 3.49Å; R184-R187 PolarHBondContact O-N 2.78Å; R184-R187 VanDerWaalsContact O-N 3.12Å; R187-I191 HydrophobicContact CB-CB 4.46Å; R187-I191 HydrophobicContact CB-CG2 4.28Å; R187-I191 HydrophobicContact CG-CG2 4.32Å; R187-L192 HydrophobicContact CB-CD2 3.97Å; R187-L192 HydrophobicContact CB-CG 4.1Å; R187-W205 PolarHBondContact O-NE1 3.07Å; R187-W205 VanDerWaalsContact O-NE1 3.14Å
188A94.1Very high77.7Confident0 Ų044.5 Ų44.50%022%0.223CC..  trans-66.7151.9176.600000112.2E190 I191 L192 V202 W205A188-E190 VanDerWaalsContact CB-CD 3.42Å; A188-E190 HydrophobicContact CB-CG 4.36Å; A188-E190 VanDerWaalsContact CB-OE1 3.31Å; A188-E190 WeakPolarHBondContact CB-OE1 3.21Å; A188-E190 WeakPolarHBondContact CB-OE2 2.97Å; A188-E190 PolarHBondContact O-N 3.16Å; A188-I191 WeakPolarHBondContact O-CB 3.41Å; A188-I191 PolarHBondContact O-N 3.12Å; A188-L192 PolarHBondContact O-N 2.9Å; A188-L192 VanDerWaalsContact O-N 3.16Å; A188-V202 HydrophobicContact CB-CB 4.47Å; A188-V202 HydrophobicContact CB-CG2 4.32Å; A188-W205 HydrophobicContact CB-CB 3.76Å; A188-W205 HydrophobicContact CB-CD2 4.45Å; A188-W205 HydrophobicContact CB-CG 3.71Å
189P93Very high80Confident4 Ų443.2 Ų43.23%0.02622%0.215CC..Hα-helixtrans-49.1-43.4178.2-28.833.9000113.7I191 L192 L193 W205 I233 F289P189-I191 VanDerWaalsContact C-N 3.29Å; P189-I191 PolarHBondContact O-N 2.92Å; P189-L192 PolarHBondContact O-N 3.15Å; P189-L192 VanDerWaalsContact O-N 3.17Å; P189-L193 VanDerWaalsContact O-CB 3.24Å; P189-L193 WeakPolarHBondContact O-CB 3.38Å; P189-L193 VanDerWaalsContact O-CG 3.23Å; P189-L193 WeakPolarHBondContact O-CG 3.29Å; P189-L193 PolarHBondContact O-N 3.41Å; P189-W205 HydrophobicContact CG-CD2 4.46Å; P189-W205 HydrophobicContact CG-CE3 4.16Å; P189-W205 HydrophobicContact CG-CH2 4.16Å; P189-W205 HydrophobicContact CG-CZ2 4.41Å; P189-W205 HydrophobicContact CG-CZ3 3.99Å; P189-I233 HydrophobicContact CG-CG2 4.05Å; P189-F289 HydrophobicContact CB-CD2 4.08Å; P189-F289 HydrophobicContact CB-CE2 4.19Å; P189-F289 HydrophobicContact CG-CD2 4.41Å
190E90.4Very high82.4Confident2 Ų241.1 Ų41.11%0.00920%0.204CC..Hα-helixtrans-64.9-29.4-179.764-85.7-160.600113.2A188 A194 A195 Y198 V202 R294A188-E190 VanDerWaalsContact CB-CD 3.42Å; A188-E190 HydrophobicContact CB-CG 4.36Å; A188-E190 VanDerWaalsContact CB-OE1 3.31Å; A188-E190 WeakPolarHBondContact CB-OE1 3.21Å; A188-E190 WeakPolarHBondContact CB-OE2 2.97Å; A188-E190 PolarHBondContact O-N 3.16Å; E190-A194 PolarHBondContact O-N 3.08Å; E190-A195 HydrophobicContact CB-CB 3.81Å; E190-A195 WeakPolarHBondContact O-CB 3.16Å; E190-A195 PolarHBondContact O-N 3.1Å; E190-Y198 HydrophobicContact CG-CD1 4.22Å; E190-V202 HydrophobicContact CG-CG2 4.05Å; E190-V202 VanDerWaalsContact OE1-CG2 3.28Å; E190-V202 WeakPolarHBondContact OE1-CG2 3.27Å; E190-R294 IonicContact OE1-CZ 3.45Å; E190-R294 IonicContact OE1-NH1 3.91Å; E190-R294 PolarHBondContact OE1-NH1 3.08Å; E190-R294 IonicContact OE1-NH2 3.24Å; E190-R294 IonicContact OE2-CZ 3.79Å; E190-R294 IonicContact OE2-NH1 2.97Å; E190-R294 PolarHBondContact OE2-NH1 3.23Å; E190-R294 IonicContact OE2-NH2 3.51Å; E190-R294 PolarHBondContact OE2-NH2 2.84Å
191I88.3Confident84.6Confident19 Ų1935.7 Ų35.710%0.09719%0.185CC..Hα-helixtrans-72.9-45.3172-67.8-179.4000110R187 A188 P189 L193 A194 Y198 V202R187-I191 HydrophobicContact CB-CB 4.46Å; R187-I191 HydrophobicContact CB-CG2 4.28Å; R187-I191 HydrophobicContact CG-CG2 4.32Å; A188-I191 WeakPolarHBondContact O-CB 3.41Å; A188-I191 PolarHBondContact O-N 3.12Å; P189-I191 VanDerWaalsContact C-N 3.29Å; P189-I191 PolarHBondContact O-N 2.92Å; I191-L193 PolarHBondContact O-N 2.99Å; I191-A194 PolarHBondContact O-N 3.34Å; I191-Y198 HydrophobicContact CB-CE1 4.39Å; I191-Y198 HydrophobicContact CG1-CD1 3.96Å; I191-Y198 HydrophobicContact CG1-CE1 3.69Å; I191-V202 HydrophobicContact CD1-CB 4.35Å; I191-V202 HydrophobicContact CD1-CG1 3.4Å; I191-V202 VanDerWaalsContact CD1-CG1 3.4Å; I191-V202 HydrophobicContact CD1-CG2 3.98Å; I191-V202 HydrophobicContact CG1-CG1 4.39Å; I191-V202 HydrophobicContact CG1-CG2 4.1Å
192L89.8Confident86.5Confident12 Ų1232 Ų326%0.06316%0.162CC..Hα-helixtrans-65.1-31.1179.7-62.5169.5000112.2R184 R187 A188 P189 A194 T226 Q229 I230 I233R184-L192 HydrophobicContact CB-CD2 4.34Å; R187-L192 HydrophobicContact CB-CD2 3.97Å; R187-L192 HydrophobicContact CB-CG 4.1Å; A188-L192 PolarHBondContact O-N 2.9Å; A188-L192 VanDerWaalsContact O-N 3.16Å; P189-L192 PolarHBondContact O-N 3.15Å; P189-L192 VanDerWaalsContact O-N 3.17Å; L192-A194 VanDerWaalsContact C-N 3.34Å; L192-T226 HydrophobicContact CB-CG2 4.29Å; L192-T226 HydrophobicContact CD2-CG2 4.28Å; L192-T226 WeakPolarHBondContact O-CG2 3.27Å; L192-Q229 HydrophobicContact CD1-CB 4.25Å; L192-Q229 HydrophobicContact CD1-CG 3.48Å; L192-Q229 VanDerWaalsContact CD1-CG 3.48Å; L192-Q229 HydrophobicContact CD2-CG 4.14Å; L192-Q229 HydrophobicContact CG-CG 4.48Å; L192-I230 HydrophobicContact CB-CD1 4.11Å; L192-I230 HydrophobicContact CB-CG1 3.85Å; L192-I230 HydrophobicContact CD1-CG1 4.16Å; L192-I233 HydrophobicContact CD1-CD1 3.58Å
193L88.3Confident88.5Confident0 Ų029.5 Ų29.50%014%0.142CC..THydrogen-bonded Turntrans-91.99.5179.2-67.2173.1000113.6P189 I191 A195 I230 I248 S250 Y252 A253 L257 F289P189-L193 VanDerWaalsContact O-CB 3.24Å; P189-L193 WeakPolarHBondContact O-CB 3.38Å; P189-L193 VanDerWaalsContact O-CG 3.23Å; P189-L193 WeakPolarHBondContact O-CG 3.29Å; P189-L193 PolarHBondContact O-N 3.41Å; I191-L193 PolarHBondContact O-N 2.99Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.23Å; L193-I230 HydrophobicContact CD2-CD1 3.6Å; L193-I230 HydrophobicContact CD2-CG1 4.4Å; L193-I230 HydrophobicContact CG-CD1 4.22Å; L193-I248 HydrophobicContact CB-CG2 4.33Å; L193-I248 HydrophobicContact CD1-CD1 3.77Å; L193-S250 VanDerWaalsContact O-CB 3.3Å; L193-S250 WeakPolarHBondContact O-CB 3.33Å; L193-S250 PolarHBondContact O-OG 3.2Å; L193-Y252 HydrophobicContact CD2-CD1 4.02Å; L193-Y252 HydrophobicContact CD2-CE1 4.18Å; L193-A253 HydrophobicContact CB-CB 4.39Å; L193-A253 HydrophobicContact CD1-CB 4.01Å; L193-A253 HydrophobicContact CD2-CB 4.17Å; L193-A253 HydrophobicContact CG-CB 4.43Å; L193-L257 HydrophobicContact CD1-CD1 4.15Å; L193-F289 HydrophobicContact CD1-CE2 3.92Å; L193-F289 HydrophobicContact CD1-CZ 3.97Å
194A80.6Confident89.7Confident30 Ų3028.3 Ų28.325%0.24814%0.135CC..THydrogen-bonded Turntrans58.140.7174.500000113.4Y174 E190 I191 L192Y174-A194 HydrophobicContact CE1-CB 3.55Å; E190-A194 PolarHBondContact O-N 3.08Å; I191-A194 PolarHBondContact O-N 3.34Å; L192-A194 VanDerWaalsContact C-N 3.34Å
195A77.7Confident90.1Very high6 Ų628.2 Ų28.25%0.0513%0.134CC..  trans-62.7143.7176.800000111.2E190 L193 Y198 I248E190-A195 HydrophobicContact CB-CB 3.81Å; E190-A195 WeakPolarHBondContact O-CB 3.16Å; E190-A195 PolarHBondContact O-N 3.1Å; L193-A195 VanDerWaalsContact C-N 3.32Å; L193-A195 PolarHBondContact O-N 3.23Å; A195-Y198 HydrophobicContact CB-CE1 4.32Å; A195-Y198 WeakPolarHBondContact O-CE1 3.45Å; A195-Y198 PolarHBondContact O-OH 3.04Å; A195-I248 HydrophobicContact CB-CG2 3.78Å
196K72.2Confident90.3Very high158 Ų15825.7 Ų25.769%0.68713%0.125SC*.SBendtrans-73.2-29.9-179.2-67.3-172.6176.6-171.90113.7
197H76.5Confident90.4Very high104 Ų10425 Ų2548%0.48112%0.123SC..  trans-122.9123.4-176.6-56.3-67.7000109.4
198Y83.2Confident90.6Very high27 Ų2722.9 Ų22.911%0.10611%0.114CC..  trans-98.9148.6172.7-56.4-51000109.5L162 L165 E190 I191 A195 V202L162-Y198 WeakPolarHBondContact CD2-O 3.32Å; L165-Y198 HydrophobicContact CD1-CD2 4.46Å; L165-Y198 HydrophobicContact CD2-CD2 4.29Å; E190-Y198 HydrophobicContact CG-CD1 4.22Å; I191-Y198 HydrophobicContact CB-CE1 4.39Å; I191-Y198 HydrophobicContact CG1-CD1 3.96Å; I191-Y198 HydrophobicContact CG1-CE1 3.69Å; A195-Y198 HydrophobicContact CB-CE1 4.32Å; A195-Y198 WeakPolarHBondContact O-CE1 3.45Å; A195-Y198 PolarHBondContact O-OH 3.04Å; Y198-V202 HydrophobicContact CD1-CG2 4.3Å; Y198-V202 HydrophobicContact CG-CG2 4.45Å
199T90.8Very high90.8Very high41 Ų4123 Ų2325%0.25212%0.115SC..  trans-120.5175174.575.20000109.7G201 V202T199-G201 PolarHBondContact O-N 3.41Å; T199-G201 PolarHBondContact OG1-N 2.89Å; T199-G201 VanDerWaalsContact OG1-N 3.09Å; T199-V202 PolarHBondContact O-N 2.82Å; T199-V202 VanDerWaalsContact O-N 3.12Å
200K95.4Very high91Very high66 Ų6622.9 Ų22.929%0.28711%0.114SC..THydrogen-bonded Turntrans-51.4-23.9167.9-71.5174.7178.1178.40113.2H129 I134 L162 V202 D203 M204H129-K200 HydrophobicContact CB-CD 3.8Å; H129-K200 HydrophobicContact CB-CG 4.31Å; H129-K200 PolarHBondContact CE1-O 3.36Å; H129-K200 WeakPolarHBondContact O-CE 3.37Å; H129-K200 PolarHBondContact O-NZ 2.69Å; I134-K200 HydrophobicContact CG2-CB 4.49Å; I134-K200 HydrophobicContact CG2-CG 4.06Å; L162-K200 HydrophobicContact CD1-CG 3.8Å; K200-V202 PolarHBondContact O-N 3.12Å; K200-V202 VanDerWaalsContact O-N 3.14Å; K200-D203 PolarHBondContact O-N 3.1Å; K200-D203 VanDerWaalsContact O-N 3.15Å; K200-M204 PolarHBondContact O-N 3.48Å
201G96.1Very high91.4Very high6 Ų622.9 Ų22.96%0.06211%0.114CC..Hα-helixtrans-56.3-27176.700000114T199 D203 M204 W205 R294T199-G201 PolarHBondContact O-N 3.41Å; T199-G201 PolarHBondContact OG1-N 2.89Å; T199-G201 VanDerWaalsContact OG1-N 3.09Å; G201-D203 VanDerWaalsContact C-N 3.33Å; G201-D203 PolarHBondContact O-N 3.44Å; G201-M204 PolarHBondContact O-N 3.28Å; G201-W205 PolarHBondContact O-N 2.96Å; G201-R294 WeakPolarHBondContact O-CD 3.41Å; G201-R294 PolarHBondContact O-NH1 3.15Å
202V95Very high91.8Very high0 Ų022 Ų220%011%0.11CC..Hα-helixtrans-56.3-47.5175.7163.80000111.6R136 A188 E190 I191 Y198 T199 K200 S206R136-V202 HydrophobicContact CB-CG1 4.39Å; R136-V202 HydrophobicContact CG-CG1 4.36Å; A188-V202 HydrophobicContact CB-CB 4.47Å; A188-V202 HydrophobicContact CB-CG2 4.32Å; E190-V202 HydrophobicContact CG-CG2 4.05Å; E190-V202 VanDerWaalsContact OE1-CG2 3.28Å; E190-V202 WeakPolarHBondContact OE1-CG2 3.27Å; I191-V202 HydrophobicContact CD1-CB 4.35Å; I191-V202 HydrophobicContact CD1-CG1 3.4Å; I191-V202 VanDerWaalsContact CD1-CG1 3.4Å; I191-V202 HydrophobicContact CD1-CG2 3.98Å; I191-V202 HydrophobicContact CG1-CG1 4.39Å; I191-V202 HydrophobicContact CG1-CG2 4.1Å; Y198-V202 HydrophobicContact CD1-CG2 4.3Å; Y198-V202 HydrophobicContact CG-CG2 4.45Å; T199-V202 PolarHBondContact O-N 2.82Å; T199-V202 VanDerWaalsContact O-N 3.12Å; K200-V202 PolarHBondContact O-N 3.12Å; K200-V202 VanDerWaalsContact O-N 3.14Å; V202-S206 PolarHBondContact O-N 3.42Å; V202-S206 PolarHBondContact O-OG 2.96Å
203D97.9Very high92.2Very high0 Ų021.6 Ų21.60%011%0.107CC..Hα-helixtrans-70.6-38.5180-70-20.6000110.1V125 H129 I134 H135 R136 L138 K200 G201 W205 S206 L207V125-D203 HydrophobicContact CG1-CB 4.38Å; H129-D203 IonicContact CD2-OD2 2.73Å; H129-D203 IonicContact CE1-OD2 2.73Å; H129-D203 IonicContact NE2-OD2 3.07Å; H129-D203 PolarHBondContact NE2-OD2 2.99Å; I134-D203 VanDerWaalsContact CA-OD2 3.31Å; I134-D203 WeakPolarHBondContact CA-OD2 3.31Å; H135-D203 PolarHBondContact N-OD1 2.82Å; H135-D203 PolarHBondContact N-OD2 3.39Å; R136-D203 PolarHBondContact N-OD1 2.94Å; L138-D203 HydrophobicContact CD1-CB 3.65Å; K200-D203 PolarHBondContact O-N 3.1Å; K200-D203 VanDerWaalsContact O-N 3.15Å; G201-D203 VanDerWaalsContact C-N 3.33Å; G201-D203 PolarHBondContact O-N 3.44Å; D203-W205 VanDerWaalsContact C-N 3.31Å; D203-W205 PolarHBondContact O-N 3.46Å; D203-S206 WeakPolarHBondContact O-CB 3.02Å; D203-S206 PolarHBondContact O-N 2.81Å; D203-S206 VanDerWaalsContact O-N 3.08Å; D203-L207 WeakPolarHBondContact O-CG 3.45Å; D203-L207 PolarHBondContact O-N 3.49Å
204M98.7Very high92.6Very high2 Ų222.2 Ų22.21%0.0111%0.11CC..Hα-helixtrans-61-38.4177.9-55.8-48.6-58.700112.7V125 K200 G201 L207 G208 L286 R294 L295 I297 A300V125-M204 HydrophobicContact CG1-SD 4.41Å; K200-M204 PolarHBondContact O-N 3.48Å; G201-M204 PolarHBondContact O-N 3.28Å; M204-L207 HydrophobicContact CE-CD1 3.93Å; M204-L207 PolarHBondContact O-N 3.38Å; M204-L207 HydrophobicContact SD-CD1 3.92Å; M204-G208 PolarHBondContact O-N 3.43Å; M204-G208 VanDerWaalsContact O-N 3.13Å; M204-L286 HydrophobicContact CB-CD2 4.14Å; M204-L286 HydrophobicContact CE-CD2 3.57Å; M204-R294 HydrophobicContact CB-CB 4.39Å; M204-L295 WeakPolarHBondContact CE-O 2.87Å; M204-L295 WeakPolarHBondContact CG-O 3.35Å; M204-I297 HydrophobicContact CE-CB 4.2Å; M204-I297 HydrophobicContact CE-CD1 3.81Å; M204-I297 HydrophobicContact SD-CB 3.89Å; M204-I297 HydrophobicContact SD-CD1 4.03Å; M204-A300 HydrophobicContact CE-CB 3.97Å
205W98.5Very high93.3Very high0 Ų022 Ų220%010%0.104CC..Hα-helixtrans-61.2-48.2171.7171.3-85000111.9Y186 R187 A188 P189 G201 D203 L207 G208 C209 F221 I233 V237 L287Y186-W205 VanDerWaalsContact O-CD1 3.27Å; R187-W205 PolarHBondContact O-NE1 3.07Å; R187-W205 VanDerWaalsContact O-NE1 3.14Å; A188-W205 HydrophobicContact CB-CB 3.76Å; A188-W205 HydrophobicContact CB-CD2 4.45Å; A188-W205 HydrophobicContact CB-CG 3.71Å; P189-W205 HydrophobicContact CG-CD2 4.46Å; P189-W205 HydrophobicContact CG-CE3 4.16Å; P189-W205 HydrophobicContact CG-CH2 4.16Å; P189-W205 HydrophobicContact CG-CZ2 4.41Å; P189-W205 HydrophobicContact CG-CZ3 3.99Å; G201-W205 PolarHBondContact O-N 2.96Å; D203-W205 VanDerWaalsContact C-N 3.31Å; D203-W205 PolarHBondContact O-N 3.46Å; W205-L207 VanDerWaalsContact C-N 3.27Å; W205-L207 PolarHBondContact O-N 3.18Å; W205-G208 WeakPolarHBondContact O-CA 3.23Å; W205-G208 PolarHBondContact O-N 2.85Å; W205-C209 PolarHBondContact NE1-SG 2.99Å; W205-C209 VanDerWaalsContact NE1-SG 3.39Å; W205-C209 PolarHBondContact O-N 2.91Å; W205-C209 PolarHBondContact O-SG 2.87Å; W205-F221 HydrophobicContact CH2-CE2 4.05Å; W205-F221 HydrophobicContact CZ2-CD2 4.02Å; W205-F221 AromaticContact CZ2-CE2 3.68Å; W205-F221 HydrophobicContact CZ2-CE2 3.68Å; W205-I233 HydrophobicContact CH2-CB 4.34Å; W205-I233 HydrophobicContact CH2-CD1 4.4Å; W205-I233 HydrophobicContact CH2-CG1 4.15Å; W205-I233 HydrophobicContact CH2-CG2 3.4Å; W205-I233 VanDerWaalsContact CH2-CG2 3.4Å; W205-I233 HydrophobicContact CZ2-CB 4.42Å; W205-I233 HydrophobicContact CZ2-CD1 3.72Å; W205-I233 HydrophobicContact CZ2-CG1 3.75Å; W205-I233 HydrophobicContact CZ2-CG2 3.87Å; W205-I233 HydrophobicContact CZ3-CG2 4.31Å; W205-V237 HydrophobicContact CH2-CG1 3.68Å; W205-V237 HydrophobicContact CZ3-CG1 3.8Å; W205-L287 HydrophobicContact CD2-CD2 4.1Å; W205-L287 HydrophobicContact CE3-CD2 4.05Å; W205-L287 HydrophobicContact CH2-CD2 4.11Å; W205-L287 HydrophobicContact CZ2-CD2 4.2Å; W205-L287 HydrophobicContact CZ3-CB 4.17Å; W205-L287 HydrophobicContact CZ3-CD2 4.07Å
206S98.4Very high94.1Very high3 Ų323 Ų232%0.02111%0.111CC..Hα-helixtrans-61.6-39.1-178.3-51.50000110.9Y186 V202 D203 C209 I210Y186-S206 PolarHBondContact O-OG 3.28Å; V202-S206 PolarHBondContact O-N 3.42Å; V202-S206 PolarHBondContact O-OG 2.96Å; D203-S206 WeakPolarHBondContact O-CB 3.02Å; D203-S206 PolarHBondContact O-N 2.81Å; D203-S206 VanDerWaalsContact O-N 3.08Å; S206-C209 WeakPolarHBondContact O-CB 3.09Å; S206-C209 PolarHBondContact O-N 2.84Å; S206-I210 VanDerWaalsContact O-CG1 3.32Å; S206-I210 WeakPolarHBondContact O-CG1 3.43Å; S206-I210 PolarHBondContact O-N 3.44Å
207L98.8Very high95.2Very high1 Ų116.5 Ų16.51%0.0059%0.089CC..Hα-helixtrans-59.2-45.3171.6-69.6172.7000112.1L121 F122 V125 L138 D203 M204 W205 C209 I210 I211 I297L121-L207 HydrophobicContact CD1-CD2 4.48Å; L121-L207 HydrophobicContact CD2-CD2 3.35Å; L121-L207 HydrophobicContact CG-CD2 3.5Å; F122-L207 HydrophobicContact CD1-CD1 3.84Å; F122-L207 HydrophobicContact CD1-CD2 4.27Å; F122-L207 HydrophobicContact CE1-CB 4.2Å; F122-L207 HydrophobicContact CE1-CD1 3.76Å; F122-L207 HydrophobicContact CE1-CD2 4.24Å; F122-L207 HydrophobicContact CE1-CG 4.29Å; V125-L207 HydrophobicContact CB-CD1 4.37Å; V125-L207 HydrophobicContact CG1-CD1 4.21Å; V125-L207 HydrophobicContact CG2-CD1 4.16Å; V125-L207 HydrophobicContact CG2-CD2 4.26Å; L138-L207 HydrophobicContact CD1-CD2 4.13Å; L138-L207 HydrophobicContact CD1-CG 4.09Å; D203-L207 WeakPolarHBondContact O-CG 3.45Å; D203-L207 PolarHBondContact O-N 3.49Å; M204-L207 HydrophobicContact CE-CD1 3.93Å; M204-L207 PolarHBondContact O-N 3.38Å; M204-L207 HydrophobicContact SD-CD1 3.92Å; W205-L207 VanDerWaalsContact C-N 3.27Å; W205-L207 PolarHBondContact O-N 3.18Å; L207-C209 VanDerWaalsContact C-N 3.26Å; L207-C209 PolarHBondContact O-N 2.96Å; L207-I210 PolarHBondContact O-N 3.35Å; L207-I211 WeakPolarHBondContact O-CB 3.24Å; L207-I211 WeakPolarHBondContact O-CD1 3.44Å; L207-I211 VanDerWaalsContact O-CG1 3.22Å; L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 2.83Å; L207-I297 HydrophobicContact CD1-CD1 3.99Å
208G98.5Very high96.1Very high0 Ų018.1 Ų18.10%09%0.094CC..Hα-helixtrans-57.7-39.1174.900000112.8M204 W205 G212M204-G208 PolarHBondContact O-N 3.43Å; M204-G208 VanDerWaalsContact O-N 3.13Å; W205-G208 WeakPolarHBondContact O-CA 3.23Å; W205-G208 PolarHBondContact O-N 2.85Å; G208-G212 PolarHBondContact O-N 3.49Å; G208-G212 VanDerWaalsContact O-N 3.1Å
209C98.5Very high96.7Very high2 Ų218.1 Ų18.11%0.01410%0.098CC..Hα-helixtrans-66.8-45.8175.6-63.70000112.2Y186 W205 S206 L207 G212 E213Y186-C209 HydrophobicContact CD1-CB 3.79Å; W205-C209 PolarHBondContact NE1-SG 2.99Å; W205-C209 VanDerWaalsContact NE1-SG 3.39Å; W205-C209 PolarHBondContact O-N 2.91Å; W205-C209 PolarHBondContact O-SG 2.87Å; S206-C209 WeakPolarHBondContact O-CB 3.09Å; S206-C209 PolarHBondContact O-N 2.84Å; L207-C209 VanDerWaalsContact C-N 3.26Å; L207-C209 PolarHBondContact O-N 2.96Å; C209-G212 PolarHBondContact O-N 3.41Å; C209-E213 WeakPolarHBondContact O-CB 3.39Å; C209-E213 PolarHBondContact O-N 2.7Å
210I98.3Very high97Very high1 Ų117.1 Ų17.11%0.0059%0.091CC..Hα-helixtrans-63-44.4178.7-67.2163.4000111.1L99 L121 L138 P140 Y186 S206 L207 G212 E213 M214L99-I210 HydrophobicContact CD2-CG2 3.63Å; L121-I210 HydrophobicContact CD2-CD1 4.22Å; L121-I210 HydrophobicContact CD2-CG2 4.31Å; L138-I210 HydrophobicContact CB-CD1 4.08Å; P140-I210 HydrophobicContact CG-CG1 4.18Å; Y186-I210 HydrophobicContact CD1-CG1 4.25Å; S206-I210 VanDerWaalsContact O-CG1 3.32Å; S206-I210 WeakPolarHBondContact O-CG1 3.43Å; S206-I210 PolarHBondContact O-N 3.44Å; L207-I210 PolarHBondContact O-N 3.35Å; I210-G212 VanDerWaalsContact C-N 3.34Å; I210-G212 PolarHBondContact O-N 3.27Å; I210-E213 PolarHBondContact O-N 2.82Å; I210-M214 HydrophobicContact CG2-CE 4.15Å; I210-M214 WeakPolarHBondContact O-CG 3.32Å; I210-M214 PolarHBondContact O-N 2.89Å
211I98.2Very high97Very high3 Ų314 Ų142%0.0158%0.077CC..Hα-helixtrans-60.3-46.2177.2-66.6162.2000110.4T118 F122 L207 E213 M214 H215 L282 M283 L286T118-I211 HydrophobicContact CG2-CD1 3.73Å; T118-I211 HydrophobicContact CG2-CG1 3.88Å; F122-I211 HydrophobicContact CE1-CD1 4.07Å; F122-I211 HydrophobicContact CZ-CD1 3.92Å; L207-I211 WeakPolarHBondContact O-CB 3.24Å; L207-I211 WeakPolarHBondContact O-CD1 3.44Å; L207-I211 VanDerWaalsContact O-CG1 3.22Å; L207-I211 WeakPolarHBondContact O-CG1 3.41Å; L207-I211 PolarHBondContact O-N 2.83Å; I211-E213 VanDerWaalsContact C-N 3.35Å; I211-E213 PolarHBondContact O-N 2.88Å; I211-M214 HydrophobicContact CB-CE 4.48Å; I211-M214 HydrophobicContact CG1-CE 4.18Å; I211-M214 PolarHBondContact O-N 2.91Å; I211-H215 PolarHBondContact O-CD2 3.17Å; I211-H215 VanDerWaalsContact O-CD2 3.28Å; I211-H215 PolarHBondContact O-N 2.69Å; I211-L282 HydrophobicContact CD1-CD2 3.99Å; I211-L282 HydrophobicContact CD1-CG 4.47Å; I211-M283 HydrophobicContact CB-CG 4.3Å; I211-M283 HydrophobicContact CG2-CG 3.83Å; I211-M283 HydrophobicContact CG2-SD 4.04Å; I211-L286 HydrophobicContact CD1-CD1 3.8Å
212G97.5Very high97Very high0 Ų016.2 Ų16.20%09%0.09CC..Hα-helixtrans-61.9-42.9177.100000112.9G208 C209 I210 M214 H215 S216 V272G208-G212 PolarHBondContact O-N 3.49Å; G208-G212 VanDerWaalsContact O-N 3.1Å; C209-G212 PolarHBondContact O-N 3.41Å; I210-G212 VanDerWaalsContact C-N 3.34Å; I210-G212 PolarHBondContact O-N 3.27Å; G212-M214 VanDerWaalsContact C-N 3.34Å; G212-M214 PolarHBondContact O-N 3.35Å; G212-H215 PolarHBondContact O-N 3.38Å; G212-H215 VanDerWaalsContact O-N 3.14Å; G212-S216 PolarHBondContact O-N 2.78Å; G212-S216 PolarHBondContact O-OG 3.41Å; G212-V272 WeakPolarHBondContact O-CG1 3.1Å
213E97Very high96.9Very high3 Ų316.3 Ų16.31%0.0149%0.09CC..Hα-helixtrans-63.9-36.5177.8-177.6170.4159.700112.9I103 Y186 C209 I210 I211 H215 G217 P219I103-E213 HydrophobicContact CD1-CB 4.41Å; I103-E213 HydrophobicContact CD1-CG 3.84Å; I103-E213 HydrophobicContact CG2-CG 4.02Å; Y186-E213 WeakPolarHBondContact CE1-OE2 3.07Å; Y186-E213 VanDerWaalsContact OH-CD 3.31Å; Y186-E213 PolarHBondContact OH-OE1 3.08Å; Y186-E213 PolarHBondContact OH-OE2 3.33Å; C209-E213 WeakPolarHBondContact O-CB 3.39Å; C209-E213 PolarHBondContact O-N 2.7Å; I210-E213 PolarHBondContact O-N 2.82Å; I211-E213 VanDerWaalsContact C-N 3.35Å; I211-E213 PolarHBondContact O-N 2.88Å; E213-H215 VanDerWaalsContact C-N 3.26Å; E213-H215 PolarHBondContact O-N 2.84Å; E213-G217 WeakPolarHBondContact O-CA 3.45Å; E213-G217 PolarHBondContact O-N 3.4Å; E213-P219 WeakPolarHBondContact OE2-CA 3.11Å
214M97.3Very high96.6Very high13 Ų1321.1 Ų21.16%0.06412%0.12CC..Hα-helixtrans-63.1-32.6173.9-72.7-172.5-6900112.7L99 I103 L109 V114 I117 T118 I210 I211 G212L99-M214 HydrophobicContact CD1-CG 4.11Å; L99-M214 HydrophobicContact CD1-SD 3.92Å; L99-M214 HydrophobicContact CD2-CG 4.14Å; L99-M214 HydrophobicContact CD2-SD 3.88Å; L99-M214 HydrophobicContact CG-CG 4.47Å; L99-M214 HydrophobicContact CG-SD 4.49Å; I103-M214 HydrophobicContact CD1-CB 4.41Å; I103-M214 HydrophobicContact CD1-CG 3.65Å; I103-M214 HydrophobicContact CG1-CG 4.16Å; L109-M214 HydrophobicContact CD1-CB 4.5Å; L109-M214 HydrophobicContact CD1-CG 4.28Å; V114-M214 HydrophobicContact CG1-CB 3.63Å; V114-M214 HydrophobicContact CG1-CE 3.83Å; V114-M214 HydrophobicContact CG1-CG 4.41Å; V114-M214 HydrophobicContact CG1-SD 3.98Å; V114-M214 HydrophobicContact CG2-CB 4.18Å; I117-M214 HydrophobicContact CB-SD 4.26Å; I117-M214 HydrophobicContact CG2-CE 4.42Å; I117-M214 HydrophobicContact CG2-SD 3.77Å; T118-M214 WeakPolarHBondContact OG1-CE 3.08Å; I210-M214 HydrophobicContact CG2-CE 4.15Å; I210-M214 WeakPolarHBondContact O-CG 3.32Å; I210-M214 PolarHBondContact O-N 2.89Å; I211-M214 HydrophobicContact CB-CE 4.48Å; I211-M214 HydrophobicContact CG1-CE 4.18Å; I211-M214 PolarHBondContact O-N 2.91Å; G212-M214 VanDerWaalsContact C-N 3.34Å; G212-M214 PolarHBondContact O-N 3.35Å
215H95.8Very high96.2Very high26 Ų2623.1 Ų23.112%0.1213%0.134CC..Hα-helixtrans-85.9-34179.1-78.2-65.3000114I211 G212 E213 V272 A275 A279 Y305I211-H215 PolarHBondContact O-CD2 3.17Å; I211-H215 VanDerWaalsContact O-CD2 3.28Å; I211-H215 PolarHBondContact O-N 2.69Å; G212-H215 PolarHBondContact O-N 3.38Å; G212-H215 VanDerWaalsContact O-N 3.14Å; E213-H215 VanDerWaalsContact C-N 3.26Å; E213-H215 PolarHBondContact O-N 2.84Å; H215-V272 HydrophobicContact CB-CG1 4.28Å; H215-A275 HydrophobicContact CB-CB 3.93Å; H215-A279 WeakPolarHBondContact NE2-CB 3.12Å; H215-Y305 PolarHBondContact CE1-OH 2.82Å; H215-Y305 AromaticContact NE2-CZ 3.61Å; H215-Y305 PolarHBondContact NE2-OH 3.06Å
216S94.5Very high95.7Very high28 Ų2824.9 Ų24.920%0.19615%0.145CC..Hα-helixtrans-88.6-17.3-179.760.60000113.5G212 K218G212-S216 PolarHBondContact O-N 2.78Å; G212-S216 PolarHBondContact O-OG 3.41Å; S216-K218 PolarHBondContact O-N 3.16Å; S216-K218 PolarHBondContact OG-N 2.92Å; S216-K218 PolarHBondContact OG-O 3.06Å
217G94.7Very high95.3Very high21 Ų2127.6 Ų27.622%0.21616%0.158CC..SBendtrans72.36.6-170.700000114.2E213E213-G217 WeakPolarHBondContact O-CA 3.45Å; E213-G217 PolarHBondContact O-N 3.4Å
218K94.6Very high95Very high137 Ų13728.9 Ų28.960%0.59617%0.166SC*.SBendtrans-151.2148.8-176.666.3-175.2179.7-175.70112.4S216 L220S216-K218 PolarHBondContact O-N 3.16Å; S216-K218 PolarHBondContact OG-N 2.92Å; S216-K218 PolarHBondContact OG-O 3.06Å; K218-L220 PolarHBondContact O-N 2.89Å
219P96.5Very high94.8Very high27 Ų2728.9 Ų28.918%0.17517%0.166CC..  trans-57.2139.7179.6-21.129.7000112.3W185 E213 T222W185-P219 HydrophobicContact CD2-CB 4.43Å; W185-P219 HydrophobicContact CE3-CB 3.78Å; W185-P219 HydrophobicContact CE3-CG 3.61Å; W185-P219 HydrophobicContact CZ3-CB 4.3Å; W185-P219 HydrophobicContact CZ3-CG 3.69Å; E213-P219 WeakPolarHBondContact OE2-CA 3.11Å; P219-T222 HydrophobicContact CB-CG2 3.81Å; P219-T222 HydrophobicContact CG-CG2 4.28Å
220L96.9Very high94.5Very high20 Ų2029 Ų2911%0.10517%0.166CC..SBendtrans-66.9-44-177-63.9-175.4000112.9K218 L271 V272 M283 L287K218-L220 PolarHBondContact O-N 2.89Å; L220-L271 HydrophobicContact CD2-CB 4.3Å; L220-V272 HydrophobicContact CD2-CG1 3.76Å; L220-M283 HydrophobicContact CD1-CE 3.84Å; L220-M283 HydrophobicContact CD2-CE 4.49Å; L220-L287 HydrophobicContact CD1-CD1 3.84Å
221F96.4Very high94.2Very high2 Ų231.7 Ų31.71%0.00918%0.179CC..  trans-12688.3-170.5-52-59.1000110.2W185 W205 G223 Q229 R232 I233 T236 L271 L287W185-F221 WeakPolarHBondContact CB-O 3.14Å; W185-F221 VanDerWaalsContact CD1-O 3.22Å; W205-F221 HydrophobicContact CH2-CE2 4.05Å; W205-F221 HydrophobicContact CZ2-CD2 4.02Å; W205-F221 AromaticContact CZ2-CE2 3.68Å; W205-F221 HydrophobicContact CZ2-CE2 3.68Å; F221-G223 PolarHBondContact O-N 3.04Å; F221-Q229 PolarHBondContact O-NE2 3.2Å; F221-Q229 PolarHBondContact O-OE1 2.76Å; F221-R232 HydrophobicContact CD1-CB 4.36Å; F221-I233 HydrophobicContact CB-CG1 4.28Å; F221-I233 HydrophobicContact CD1-CG1 4.27Å; F221-I233 HydrophobicContact CD2-CG1 4Å; F221-I233 HydrophobicContact CE2-CG1 4.41Å; F221-I233 HydrophobicContact CG-CG1 3.92Å; F221-T236 HydrophobicContact CE1-CG2 3.96Å; F221-T236 HydrophobicContact CZ-CG2 4.18Å; F221-L271 HydrophobicContact CE1-CD1 3.91Å; F221-L287 HydrophobicContact CE2-CD2 4.27Å; F221-L287 HydrophobicContact CZ-CD1 4.49Å
222T95.1Very high94.1Very high52 Ų5236.2 Ų36.232%0.31920%0.195SC..  trans-93.370.8-178.7580000112W185 P219 R232W185-T222 HydrophobicContact CD2-CG2 4.23Å; W185-T222 HydrophobicContact CE3-CG2 4.36Å; W185-T222 HydrophobicContact CH2-CG2 4.34Å; W185-T222 HydrophobicContact CZ2-CG2 4.21Å; W185-T222 HydrophobicContact CZ3-CG2 4.42Å; P219-T222 HydrophobicContact CB-CG2 3.81Å; P219-T222 HydrophobicContact CG-CG2 4.28Å; T222-R232 PolarHBondContact O-NE 3.04Å; T222-R232 VanDerWaalsContact O-NE 3.12Å
223G93.4Very high94Very high1 Ų136.2 Ų36.21%0.0120%0.195CC..  trans-74134.717800000113.1R184 W185 F221 N228R184-G223 PolarHBondContact NH1-O 3.14Å; W185-G223 PolarHBondContact NE1-O 3.18Å; F221-G223 PolarHBondContact O-N 3.04Å; G223-N228 WeakPolarHBondContact CA-OD1 3.42Å
224T91.4Very high93.8Very high102 Ų10236.5 Ų36.563%0.62620%0.197SC*.SBendtrans-80-26.1177.451.80000112.8R184 N228R184-T224 PolarHBondContact NH1-O 2.85Å; T224-N228 PolarHBondContact N-OD1 2.88Å; T224-N228 PolarHBondContact OG1-OD1 3.1Å
225S90Very high93.7Very high43 Ų4339.1 Ų39.130%0.30121%0.208SC..SBendtrans-137.3170.2173.968.40000110I227 N228 Q229S225-I227 VanDerWaalsContact C-N 3.31Å; S225-I227 PolarHBondContact O-N 2.74Å; S225-N228 PolarHBondContact O-N 3.34Å; S225-N228 PolarHBondContact OG-N 2.92Å; S225-N228 VanDerWaalsContact OG-N 3.12Å; S225-Q229 WeakPolarHBondContact O-CB 3.31Å; S225-Q229 PolarHBondContact O-N 2.82Å
226T88.7Confident93.7Very high38 Ų3838.9 Ų38.923%0.23321%0.208CC..Hα-helixtrans-57-43.9173.6-60.70000112.1L192 Q229 I230L192-T226 HydrophobicContact CB-CG2 4.29Å; L192-T226 HydrophobicContact CD2-CG2 4.28Å; L192-T226 WeakPolarHBondContact O-CG2 3.27Å; T226-Q229 WeakPolarHBondContact O-CB 3.44Å; T226-Q229 PolarHBondContact O-N 3.35Å; T226-I230 HydrophobicContact CG2-CD1 4.11Å; T226-I230 WeakPolarHBondContact O-CD1 3.37Å; T226-I230 VanDerWaalsContact O-CG1 3.32Å; T226-I230 WeakPolarHBondContact O-CG1 3.34Å; T226-I230 PolarHBondContact O-N 2.7Å; T226-I230 VanDerWaalsContact O-N 3.07Å
227I89.9Confident93.7Very high59 Ų5938 Ų3830%0.30320%0.202SC..Hα-helixtrans-61.1-49.8176.1-68-64.5000110.8S225 Q229 I230 E231 Y252 V256 M260S225-I227 VanDerWaalsContact C-N 3.31Å; S225-I227 PolarHBondContact O-N 2.74Å; I227-Q229 VanDerWaalsContact C-N 3.27Å; I227-Q229 PolarHBondContact O-N 2.95Å; I227-I230 PolarHBondContact O-N 3.42Å; I227-I230 VanDerWaalsContact O-N 3.14Å; I227-E231 WeakPolarHBondContact O-CG 3.41Å; I227-E231 PolarHBondContact O-N 3.5Å; I227-Y252 WeakPolarHBondContact CD1-OH 3.39Å; I227-V256 HydrophobicContact CD1-CB 4.5Å; I227-V256 HydrophobicContact CD1-CG1 3.7Å; I227-V256 HydrophobicContact CD1-CG2 3.87Å; I227-M260 HydrophobicContact CD1-CE 4.45Å; I227-M260 HydrophobicContact CG2-CE 3.63Å
228N91.3Very high93.6Very high29 Ų2941.1 Ų41.116%0.15522%0.218CC..Hα-helixtrans-65.9-30.7179.9-174.5-112.8000112.8G223 T224 S225 E231 R232G223-N228 WeakPolarHBondContact CA-OD1 3.42Å; T224-N228 PolarHBondContact N-OD1 2.88Å; T224-N228 PolarHBondContact OG1-OD1 3.1Å; S225-N228 PolarHBondContact O-N 3.34Å; S225-N228 PolarHBondContact OG-N 2.92Å; S225-N228 VanDerWaalsContact OG-N 3.12Å; N228-E231 PolarHBondContact ND2-OE2 2.93Å; N228-E231 PolarHBondContact O-N 2.78Å; N228-R232 VanDerWaalsContact O-CG 3.31Å; N228-R232 WeakPolarHBondContact O-CG 3.32Å; N228-R232 PolarHBondContact O-N 2.83Å; N228-R232 VanDerWaalsContact O-N 3.14Å; N228-R232 PolarHBondContact OD1-NE 3.14Å
229Q93.9Very high93.3Very high0 Ų042.2 Ų42.20%022%0.218CC..Hα-helixtrans-61.5-48.3172-174.866.623.600110.8R184 W185 L192 F221 S225 T226 I227 E231 R232 I233R184-Q229 HydrophobicContact CG-CG 4.39Å; W185-Q229 PolarHBondContact O-NE2 3.12Å; L192-Q229 HydrophobicContact CD1-CB 4.25Å; L192-Q229 HydrophobicContact CD1-CG 3.48Å; L192-Q229 VanDerWaalsContact CD1-CG 3.48Å; L192-Q229 HydrophobicContact CD2-CG 4.14Å; L192-Q229 HydrophobicContact CG-CG 4.48Å; F221-Q229 PolarHBondContact O-NE2 3.2Å; F221-Q229 PolarHBondContact O-OE1 2.76Å; S225-Q229 WeakPolarHBondContact O-CB 3.31Å; S225-Q229 PolarHBondContact O-N 2.82Å; T226-Q229 WeakPolarHBondContact O-CB 3.44Å; T226-Q229 PolarHBondContact O-N 3.35Å; I227-Q229 VanDerWaalsContact C-N 3.27Å; I227-Q229 PolarHBondContact O-N 2.95Å; Q229-E231 PolarHBondContact O-N 3.36Å; Q229-R232 PolarHBondContact O-N 3.39Å; Q229-I233 HydrophobicContact CG-CD1 4.07Å; Q229-I233 VanDerWaalsContact O-CG1 3.31Å; Q229-I233 WeakPolarHBondContact O-CG1 3.47Å; Q229-I233 PolarHBondContact O-N 3.32Å; Q229-I233 VanDerWaalsContact O-N 3.1Å
230I92.6Very high93Very high4 Ų441.4 Ų41.42%0.02121%0.213CC..Hα-helixtrans-62-43.6178.1-62.5158.7000110.4L192 L193 T226 I227 R232 I233 I234 Y252 V256 L257 M260L192-I230 HydrophobicContact CB-CD1 4.11Å; L192-I230 HydrophobicContact CB-CG1 3.85Å; L192-I230 HydrophobicContact CD1-CG1 4.16Å; L193-I230 HydrophobicContact CD2-CD1 3.6Å; L193-I230 HydrophobicContact CD2-CG1 4.4Å; L193-I230 HydrophobicContact CG-CD1 4.22Å; T226-I230 HydrophobicContact CG2-CD1 4.11Å; T226-I230 WeakPolarHBondContact O-CD1 3.37Å; T226-I230 VanDerWaalsContact O-CG1 3.32Å; T226-I230 WeakPolarHBondContact O-CG1 3.34Å; T226-I230 PolarHBondContact O-N 2.7Å; T226-I230 VanDerWaalsContact O-N 3.07Å; I227-I230 PolarHBondContact O-N 3.42Å; I227-I230 VanDerWaalsContact O-N 3.14Å; I230-R232 VanDerWaalsContact C-N 3.34Å; I230-R232 PolarHBondContact O-N 3.33Å; I230-I233 WeakPolarHBondContact O-CB 3.33Å; I230-I233 PolarHBondContact O-N 2.99Å; I230-I234 HydrophobicContact CG2-CG1 3.99Å; I230-I234 VanDerWaalsContact O-CG1 3.31Å; I230-I234 WeakPolarHBondContact O-CG1 3.42Å; I230-I234 PolarHBondContact O-N 3.06Å; I230-Y252 HydrophobicContact CD1-CE1 4.5Å; I230-V256 HydrophobicContact CD1-CG1 4.36Å; I230-L257 HydrophobicContact CG2-CD2 3.86Å; I230-M260 HydrophobicContact CB-SD 4.11Å; I230-M260 HydrophobicContact CG2-CE 4.48Å; I230-M260 HydrophobicContact CG2-SD 3.62Å
231E93Very high92.7Very high58 Ų5843.1 Ų43.127%0.27123%0.227SC..Hα-helixtrans-55.8-46.6176.7-69.6172.8169.100112.6I227 N228 Q229 I233 I234 K235 M260 L263I227-E231 WeakPolarHBondContact O-CG 3.41Å; I227-E231 PolarHBondContact O-N 3.5Å; N228-E231 PolarHBondContact ND2-OE2 2.93Å; N228-E231 PolarHBondContact O-N 2.78Å; Q229-E231 PolarHBondContact O-N 3.36Å; E231-I233 VanDerWaalsContact C-N 3.31Å; E231-I233 PolarHBondContact O-N 3Å; E231-I234 PolarHBondContact O-N 3Å; E231-K235 WeakPolarHBondContact O-CG 3.34Å; E231-K235 PolarHBondContact O-N 2.97Å; E231-M260 HydrophobicContact CB-SD 4.28Å; E231-M260 HydrophobicContact CG-CE 3.42Å; E231-M260 VanDerWaalsContact CG-CE 3.42Å; E231-M260 HydrophobicContact CG-CG 3.83Å; E231-M260 HydrophobicContact CG-SD 3.54Å; E231-M260 VanDerWaalsContact CG-SD 3.54Å; E231-L263 HydrophobicContact CB-CD1 4.46Å; E231-L263 HydrophobicContact CG-CD1 4.4Å
232R94.9Very high92.3Very high97 Ų9750.7 Ų50.737%0.36626%0.26SS..Hα-helixtrans-64-39.7179.9-71.8173.3-178.4-82.71.5111.8F221 T222 N228 Q229 I230 T236F221-R232 HydrophobicContact CD1-CB 4.36Å; T222-R232 PolarHBondContact O-NE 3.04Å; T222-R232 VanDerWaalsContact O-NE 3.12Å; N228-R232 VanDerWaalsContact O-CG 3.31Å; N228-R232 WeakPolarHBondContact O-CG 3.32Å; N228-R232 PolarHBondContact O-N 2.83Å; N228-R232 VanDerWaalsContact O-N 3.14Å; N228-R232 PolarHBondContact OD1-NE 3.14Å; Q229-R232 PolarHBondContact O-N 3.39Å; I230-R232 VanDerWaalsContact C-N 3.34Å; I230-R232 PolarHBondContact O-N 3.33Å; R232-T236 PolarHBondContact O-OG1 2.83Å; R232-T236 VanDerWaalsContact O-OG1 3.07Å
233I95.7Very high92Very high1 Ų152.4 Ų52.41%0.00527%0.274CS..Hα-helixtrans-63.7-54176.2-70.8169.7000110.3P189 L192 W205 F221 Q229 I230 E231 K235 T236 V237P189-I233 HydrophobicContact CG-CG2 4.05Å; L192-I233 HydrophobicContact CD1-CD1 3.58Å; W205-I233 HydrophobicContact CH2-CB 4.34Å; W205-I233 HydrophobicContact CH2-CD1 4.4Å; W205-I233 HydrophobicContact CH2-CG1 4.15Å; W205-I233 HydrophobicContact CH2-CG2 3.4Å; W205-I233 VanDerWaalsContact CH2-CG2 3.4Å; W205-I233 HydrophobicContact CZ2-CB 4.42Å; W205-I233 HydrophobicContact CZ2-CD1 3.72Å; W205-I233 HydrophobicContact CZ2-CG1 3.75Å; W205-I233 HydrophobicContact CZ2-CG2 3.87Å; W205-I233 HydrophobicContact CZ3-CG2 4.31Å; F221-I233 HydrophobicContact CB-CG1 4.28Å; F221-I233 HydrophobicContact CD1-CG1 4.27Å; F221-I233 HydrophobicContact CD2-CG1 4Å; F221-I233 HydrophobicContact CE2-CG1 4.41Å; F221-I233 HydrophobicContact CG-CG1 3.92Å; Q229-I233 HydrophobicContact CG-CD1 4.07Å; Q229-I233 VanDerWaalsContact O-CG1 3.31Å; Q229-I233 WeakPolarHBondContact O-CG1 3.47Å; Q229-I233 PolarHBondContact O-N 3.32Å; Q229-I233 VanDerWaalsContact O-N 3.1Å; I230-I233 WeakPolarHBondContact O-CB 3.33Å; I230-I233 PolarHBondContact O-N 2.99Å; E231-I233 VanDerWaalsContact C-N 3.31Å; E231-I233 PolarHBondContact O-N 3Å; I233-K235 VanDerWaalsContact C-N 3.26Å; I233-K235 PolarHBondContact O-N 3.44Å; I233-T236 PolarHBondContact O-N 3.49Å; I233-V237 HydrophobicContact CG2-CG1 4.06Å; I233-V237 HydrophobicContact CG2-CG2 4.28Å; I233-V237 WeakPolarHBondContact O-CG2 3.2Å; I233-V237 PolarHBondContact O-N 2.82Å
234I94.2Very high91.8Very high8 Ų853.9 Ų53.94%0.04128%0.282CS..Hα-helixtrans-62.9-30.4-175.6-66.4-63.6000112.7I230 E231 T236 P240 L257 M260 L261 F289I230-I234 HydrophobicContact CG2-CG1 3.99Å; I230-I234 VanDerWaalsContact O-CG1 3.31Å; I230-I234 WeakPolarHBondContact O-CG1 3.42Å; I230-I234 PolarHBondContact O-N 3.06Å; E231-I234 PolarHBondContact O-N 3Å; I234-T236 PolarHBondContact O-N 2.81Å; I234-P240 HydrophobicContact CD1-CG 4.16Å; I234-L257 HydrophobicContact CD1-CD2 3.66Å; I234-L257 HydrophobicContact CG1-CD2 3.66Å; I234-M260 HydrophobicContact CG2-CB 4.23Å; I234-L261 HydrophobicContact CG2-CD2 3.9Å; I234-F289 HydrophobicContact CD1-CD2 3.6Å; I234-F289 HydrophobicContact CD1-CE2 3.76Å
235K94Very high91.6Very high69 Ų6950 Ų5030%0.326%0.257SS..Hα-helixtrans-63.1-29.2171.5-76.3178.3178.6-178.60112.9E231 I233 L263 P265 V266E231-K235 WeakPolarHBondContact O-CG 3.34Å; E231-K235 PolarHBondContact O-N 2.97Å; I233-K235 VanDerWaalsContact C-N 3.26Å; I233-K235 PolarHBondContact O-N 3.44Å; K235-L263 HydrophobicContact CG-CB 4.14Å; K235-P265 CarbonylContact O-C 3.48Å; K235-P265 WeakPolarHBondContact O-CA 3.2Å; K235-V266 HydrophobicContact CB-CG2 4.31Å; K235-V266 PolarHBondContact O-N 3.31Å
236T95.2Very high91.4Very high21 Ų2152.2 Ų52.213%0.12927%0.265CS..Hα-helixtrans-102.1-40.1-168.4-510000113.5F221 R232 I233 I234 V266 L268 L271F221-T236 HydrophobicContact CE1-CG2 3.96Å; F221-T236 HydrophobicContact CZ-CG2 4.18Å; R232-T236 PolarHBondContact O-OG1 2.83Å; R232-T236 VanDerWaalsContact O-OG1 3.07Å; I233-T236 PolarHBondContact O-N 3.49Å; I234-T236 PolarHBondContact O-N 2.81Å; T236-V266 WeakPolarHBondContact CA-O 3.3Å; T236-L268 HydrophobicContact CG2-CB 4.26Å; T236-L268 HydrophobicContact CG2-CD1 3.9Å; T236-L271 HydrophobicContact CG2-CD1 3.55Å; T236-L271 HydrophobicContact CG2-CG 4.43Å
237V94.6Very high91.3Very high10 Ų1052.7 Ų52.76%0.06127%0.27CS..SBendtrans-74.9157-179.7-56.10000110.7W205 I233 R239 L287 F289W205-V237 HydrophobicContact CH2-CG1 3.68Å; W205-V237 HydrophobicContact CZ3-CG1 3.8Å; I233-V237 HydrophobicContact CG2-CG1 4.06Å; I233-V237 HydrophobicContact CG2-CG2 4.28Å; I233-V237 WeakPolarHBondContact O-CG2 3.2Å; I233-V237 PolarHBondContact O-N 2.82Å; V237-R239 PolarHBondContact O-N 3.4Å; V237-L287 HydrophobicContact CG1-CB 4.49Å; V237-L287 VanDerWaalsContact CG1-O 3.29Å; V237-L287 WeakPolarHBondContact CG1-O 3.04Å; V237-F289 HydrophobicContact CG2-CB 4.39Å
238P92.3Very high90.8Very high86 Ų8650.4 Ų50.456%0.55826%0.258SS*.PPolyproline II helixtrans-51.5137.1168.5-25.435.1000110.7L288P238-L288 HydrophobicContact CG-CD2 3.95Å
239R90.2Very high90.2Very high159 Ų15956.1 Ų56.160%0.628%0.282SS*.PPolyproline II helixtrans-56.5123.9-177.6-79.1-172.4174.4145.2-0.5109.8V237 S241 L261V237-R239 PolarHBondContact O-N 3.4Å; R239-S241 PolarHBondContact O-N 3.17Å; R239-L261 HydrophobicContact CG-CD2 4.39Å; R239-L261 PolarHBondContact NE-O 2.85Å; R239-L261 PolarHBondContact NH2-O 3.37Å
240P90Very high89.3Confident11 Ų1156.8 Ų56.87%0.07129%0.287CS..PPolyproline II helixtrans-64.2136176.826.2-34.5000110.5I234 D244 I245 L261 F289I234-P240 HydrophobicContact CD1-CG 4.16Å; P240-D244 HydrophobicContact CB-CB 3.94Å; P240-I245 HydrophobicContact CB-CG1 4.12Å; P240-I245 HydrophobicContact CG-CD1 4.43Å; P240-I245 HydrophobicContact CG-CG1 4.25Å; P240-L261 HydrophobicContact CG-CD2 3.84Å; P240-F289 HydrophobicContact CB-CB 3.96Å; P240-F289 HydrophobicContact CB-CD1 3.37Å; P240-F289 HydrophobicContact CB-CD2 4.19Å; P240-F289 HydrophobicContact CB-CE1 3.76Å; P240-F289 HydrophobicContact CB-CG 3.58Å; P240-F289 HydrophobicContact CB-CZ 4.31Å; P240-F289 HydrophobicContact CG-CB 4.46Å; P240-F289 HydrophobicContact CG-CD1 4.11Å; P240-F289 HydrophobicContact CG-CD2 4.07Å; P240-F289 HydrophobicContact CG-CE1 4.29Å; P240-F289 HydrophobicContact CG-CE2 4.27Å; P240-F289 HydrophobicContact CG-CG 3.96Å; P240-F289 HydrophobicContact CG-CZ 4.35Å
241S89.6Confident88.4Confident55 Ų5566.3 Ų66.339%0.38533%0.328SS..PPolyproline II helixtrans-69.5164.3169.871.20000110.4R239 S243 D244 I245R239-S241 PolarHBondContact O-N 3.17Å; S241-S243 PolarHBondContact O-N 3.27Å; S241-S243 PolarHBondContact OG-N 3.28Å; S241-D244 WeakPolarHBondContact CB-OD2 3.44Å; S241-D244 PolarHBondContact N-OD2 2.82Å; S241-D244 WeakPolarHBondContact O-CB 3.26Å; S241-D244 PolarHBondContact O-N 3.07Å; S241-D244 PolarHBondContact OG-N 3.13Å; S241-D244 VanDerWaalsContact OG-N 3.16Å; S241-D244 PolarHBondContact OG-OD2 3.37Å; S241-I245 WeakPolarHBondContact O-CG1 3.45Å; S241-I245 PolarHBondContact O-N 3.04Å; S241-I245 VanDerWaalsContact O-N 3.09Å
242K87.4Confident87.5Confident162 Ų16268 Ų6870%0.70433%0.333SS*.Hα-helixtrans-55.5-40.1172.7-173.9174.3179.6177.60111.5D244 I245 D246K242-D244 VanDerWaalsContact C-N 3.3Å; K242-D244 PolarHBondContact O-N 2.73Å; K242-I245 PolarHBondContact O-N 3.33Å; K242-D246 WeakPolarHBondContact O-CB 3.34Å; K242-D246 VanDerWaalsContact O-CG 3.22Å; K242-D246 PolarHBondContact O-N 2.91Å
243S89Confident86.7Confident88 Ų8863.4 Ų63.462%0.61532%0.315SS*.Hα-helixtrans-61.3-37.6175.6-174.60000112.5S241 S247S241-S243 PolarHBondContact O-N 3.27Å; S241-S243 PolarHBondContact OG-N 3.28Å; S243-S247 WeakPolarHBondContact O-CB 3.2Å; S243-S247 PolarHBondContact O-N 2.89Å
244D90Very high85.8Confident32 Ų3265.5 Ų65.517%0.17133%0.33CS..Hα-helixtrans-67-42.4177.1-62.2-50.2000110.9P240 S241 K242 S247 F289 N290P240-D244 HydrophobicContact CB-CB 3.94Å; S241-D244 WeakPolarHBondContact CB-OD2 3.44Å; S241-D244 PolarHBondContact N-OD2 2.82Å; S241-D244 WeakPolarHBondContact O-CB 3.26Å; S241-D244 PolarHBondContact O-N 3.07Å; S241-D244 PolarHBondContact OG-N 3.13Å; S241-D244 VanDerWaalsContact OG-N 3.16Å; S241-D244 PolarHBondContact OG-OD2 3.37Å; K242-D244 VanDerWaalsContact C-N 3.3Å; K242-D244 PolarHBondContact O-N 2.73Å; D244-S247 WeakPolarHBondContact O-CB 3.47Å; D244-S247 PolarHBondContact O-N 2.96Å; D244-S247 PolarHBondContact O-OG 2.8Å; D244-F289 HydrophobicContact CB-CD1 3.95Å; D244-F289 HydrophobicContact CB-CE1 4.27Å; D244-N290 HydrophobicContact CB-CB 4.18Å; D244-N290 WeakPolarHBondContact OD1-CB 3.4Å; D244-N290 PolarHBondContact OD1-ND2 3.5Å
245I87.5Confident85.2Confident21 Ų2168.5 Ų68.511%0.10835%0.352CS..Hα-helixtrans-63.3-47177.9-61.9171.6000110.4P240 S241 K242 S247 I248 L257 L261 F289P240-I245 HydrophobicContact CB-CG1 4.12Å; P240-I245 HydrophobicContact CG-CD1 4.43Å; P240-I245 HydrophobicContact CG-CG1 4.25Å; S241-I245 WeakPolarHBondContact O-CG1 3.45Å; S241-I245 PolarHBondContact O-N 3.04Å; S241-I245 VanDerWaalsContact O-N 3.09Å; K242-I245 PolarHBondContact O-N 3.33Å; I245-S247 PolarHBondContact O-N 3.27Å; I245-I248 PolarHBondContact O-N 3.35Å; I245-L257 HydrophobicContact CD1-CD1 4.29Å; I245-L257 HydrophobicContact CG1-CD1 3.98Å; I245-L257 HydrophobicContact CG2-CD1 4.12Å; I245-L261 HydrophobicContact CD1-CD1 3.97Å; I245-F289 HydrophobicContact CG1-CE1 4.26Å; I245-F289 HydrophobicContact CG1-CZ 4.39Å
246D86.3Confident84.5Confident89 Ų8966.1 Ų66.148%0.47634%0.343SS..Hα-helixtrans-63.2-32179.9-67.6-20.4000111.7K242 I248 K249K242-D246 WeakPolarHBondContact O-CB 3.34Å; K242-D246 VanDerWaalsContact O-CG 3.22Å; K242-D246 PolarHBondContact O-N 2.91Å; D246-I248 VanDerWaalsContact C-N 3.25Å; D246-I248 PolarHBondContact O-N 3.23Å; D246-K249 PolarHBondContact O-N 3.19Å; D246-K249 VanDerWaalsContact O-N 3.11Å
247S84.8Confident84.1Confident48 Ų4865.1 Ų65.134%0.33634%0.336SS..Hα-helixtrans-63.1-26.2178.380.70000114.3S243 D244 I245 K249S243-S247 WeakPolarHBondContact O-CB 3.2Å; S243-S247 PolarHBondContact O-N 2.89Å; D244-S247 WeakPolarHBondContact O-CB 3.47Å; D244-S247 PolarHBondContact O-N 2.96Å; D244-S247 PolarHBondContact O-OG 2.8Å; I245-S247 PolarHBondContact O-N 3.27Å; S247-K249 PolarHBondContact O-N 2.99Å
248I80.6Confident83.5Confident10 Ų1071.2 Ų71.25%0.05136%0.364CS..THydrogen-bonded Turntrans-70.1-21.2177.9-65.1-171.2000111.4L193 A195 I245 D246 S250 A253 F289L193-I248 HydrophobicContact CB-CG2 4.33Å; L193-I248 HydrophobicContact CD1-CD1 3.77Å; A195-I248 HydrophobicContact CB-CG2 3.78Å; I245-I248 PolarHBondContact O-N 3.35Å; D246-I248 VanDerWaalsContact C-N 3.25Å; D246-I248 PolarHBondContact O-N 3.23Å; I248-S250 PolarHBondContact O-N 2.81Å; I248-A253 HydrophobicContact CG2-CB 4.47Å; I248-F289 HydrophobicContact CD1-CD1 4.26Å; I248-F289 HydrophobicContact CD1-CE1 3.33Å; I248-F289 HydrophobicContact CD1-CE2 4.07Å; I248-F289 HydrophobicContact CD1-CZ 3.22Å; I248-F289 HydrophobicContact CG1-CE1 4.12Å; I248-F289 HydrophobicContact CG1-CZ 4.39Å
249K78.1Confident82.9Confident149 Ų14975.4 Ų75.465%0.64837%0.374SS*.  trans53.634-178.4-58.5179.3-179.4177.80113.2D246 S247D246-K249 PolarHBondContact O-N 3.19Å; D246-K249 VanDerWaalsContact O-N 3.11Å; S247-K249 PolarHBondContact O-N 2.99Å
250S76.1Confident82.6Confident15 Ų1568.3 Ų68.311%0.10535%0.348CS..  trans-112.6118.6178.6175.50000110.7L193 I248 Y252 A253L193-S250 VanDerWaalsContact O-CB 3.3Å; L193-S250 WeakPolarHBondContact O-CB 3.33Å; L193-S250 PolarHBondContact O-OG 3.2Å; I248-S250 PolarHBondContact O-N 2.81Å; S250-Y252 PolarHBondContact O-N 3.18Å; S250-Y252 PolarHBondContact OG-N 2.97Å; S250-A253 WeakPolarHBondContact O-CB 3.31Å; S250-A253 PolarHBondContact O-N 3.41Å; S250-A253 VanDerWaalsContact O-N 3.09Å; S250-A253 PolarHBondContact OG-N 2.81Å
251K72.6Confident82.3Confident204 Ų20469.7 Ų69.789%0.88735%0.354SS*.Hα-helixtrans-61.6-27.4173.4-67-174.8178.5-177.30112.2
252Y73.9Confident82.1Confident94 Ų9472.2 Ų72.237%0.36937%0.37SS..Hα-helixtrans-71.8-30.2176.7179-106000112L193 I227 I230 S250 S255 V256L193-Y252 HydrophobicContact CD2-CD1 4.02Å; L193-Y252 HydrophobicContact CD2-CE1 4.18Å; I227-Y252 WeakPolarHBondContact CD1-OH 3.39Å; I230-Y252 HydrophobicContact CD1-CE1 4.5Å; S250-Y252 PolarHBondContact O-N 3.18Å; S250-Y252 PolarHBondContact OG-N 2.97Å; Y252-S255 PolarHBondContact O-OG 3.09Å; Y252-V256 HydrophobicContact CD1-CG2 4.2Å; Y252-V256 HydrophobicContact CD2-CG2 3.95Å; Y252-V256 HydrophobicContact CE1-CG2 3.94Å; Y252-V256 HydrophobicContact CE2-CG2 3.67Å; Y252-V256 HydrophobicContact CG-CG2 4.22Å; Y252-V256 WeakPolarHBondContact O-CB 3.45Å; Y252-V256 WeakPolarHBondContact O-CG2 3.43Å; Y252-V256 PolarHBondContact O-N 3.42Å
253A77.8Confident81.9Confident0 Ų067 Ų670%035%0.35CS..Hα-helixtrans-64.7-49.1-178.900000112.8L193 I248 S250 S255 V256 L257L193-A253 HydrophobicContact CB-CB 4.39Å; L193-A253 HydrophobicContact CD1-CB 4.01Å; L193-A253 HydrophobicContact CD2-CB 4.17Å; L193-A253 HydrophobicContact CG-CB 4.43Å; I248-A253 HydrophobicContact CG2-CB 4.47Å; S250-A253 WeakPolarHBondContact O-CB 3.31Å; S250-A253 PolarHBondContact O-N 3.41Å; S250-A253 VanDerWaalsContact O-N 3.09Å; S250-A253 PolarHBondContact OG-N 2.81Å; A253-S255 PolarHBondContact O-N 3.46Å; A253-V256 PolarHBondContact O-N 3.32Å; A253-L257 HydrophobicContact CB-CD1 4.09Å; A253-L257 VanDerWaalsContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CB 3.35Å; A253-L257 WeakPolarHBondContact O-CD1 3.4Å; A253-L257 WeakPolarHBondContact O-CG 3.42Å; A253-L257 PolarHBondContact O-N 3.12Å
254S78.6Confident81.9Confident45 Ų4567.2 Ų67.232%0.31535%0.349SS..Hα-helixtrans-59.4-48.1-176.4-51.10000112.1V256 L257 E258S254-V256 PolarHBondContact O-N 3.06Å; S254-L257 PolarHBondContact O-N 3.25Å; S254-E258 WeakPolarHBondContact O-CG 3.24Å; S254-E258 PolarHBondContact O-N 3.34Å
255S79.8Confident82Confident71 Ų7170.4 Ų70.450%0.49737%0.372SS..Hα-helixtrans-67.9-33.2-177.461.70000113.8Y252 A253Y252-S255 PolarHBondContact O-OG 3.09Å; A253-S255 PolarHBondContact O-N 3.46Å
256V80.7Confident82.4Confident18 Ų1871.5 Ų71.511%0.10938%0.379CS..Hα-helixtrans-77.5-41.3178.7173.10000110.9I227 I230 Y252 A253 S254 M260I227-V256 HydrophobicContact CD1-CB 4.5Å; I227-V256 HydrophobicContact CD1-CG1 3.7Å; I227-V256 HydrophobicContact CD1-CG2 3.87Å; I230-V256 HydrophobicContact CD1-CG1 4.36Å; Y252-V256 HydrophobicContact CD1-CG2 4.2Å; Y252-V256 HydrophobicContact CD2-CG2 3.95Å; Y252-V256 HydrophobicContact CE1-CG2 3.94Å; Y252-V256 HydrophobicContact CE2-CG2 3.67Å; Y252-V256 HydrophobicContact CG-CG2 4.22Å; Y252-V256 WeakPolarHBondContact O-CB 3.45Å; Y252-V256 WeakPolarHBondContact O-CG2 3.43Å; Y252-V256 PolarHBondContact O-N 3.42Å; A253-V256 PolarHBondContact O-N 3.32Å; S254-V256 PolarHBondContact O-N 3.06Å; V256-M260 HydrophobicContact CG1-CE 3.3Å; V256-M260 HydrophobicContact CG1-SD 3.91Å; V256-M260 WeakPolarHBondContact O-CG 3.32Å
257L85.8Confident82.7Confident0 Ų074.8 Ų74.80%039%0.385CS..Hα-helixtrans-77.8-32.7-172.1-66.9171.8000113.7L193 I230 I234 I245 A253 S254 K259 M260 L261 F289L193-L257 HydrophobicContact CD1-CD1 4.15Å; I230-L257 HydrophobicContact CG2-CD2 3.86Å; I234-L257 HydrophobicContact CD1-CD2 3.66Å; I234-L257 HydrophobicContact CG1-CD2 3.66Å; I245-L257 HydrophobicContact CD1-CD1 4.29Å; I245-L257 HydrophobicContact CG1-CD1 3.98Å; I245-L257 HydrophobicContact CG2-CD1 4.12Å; A253-L257 HydrophobicContact CB-CD1 4.09Å; A253-L257 VanDerWaalsContact O-CB 3.23Å; A253-L257 WeakPolarHBondContact O-CB 3.35Å; A253-L257 WeakPolarHBondContact O-CD1 3.4Å; A253-L257 WeakPolarHBondContact O-CG 3.42Å; A253-L257 PolarHBondContact O-N 3.12Å; S254-L257 PolarHBondContact O-N 3.25Å; L257-K259 PolarHBondContact O-N 2.84Å; L257-M260 PolarHBondContact O-N 3.49Å; L257-L261 HydrophobicContact CB-CD1 4.48Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.37Å; L257-L261 PolarHBondContact O-N 3.26Å; L257-F289 HydrophobicContact CD1-CE2 3.85Å; L257-F289 HydrophobicContact CD1-CZ 3.5Å; L257-F289 HydrophobicContact CD2-CE2 4.23Å
258E81.8Confident83.3Confident138 Ų13873.3 Ų73.365%0.64537%0.373SS*.Hα-helixtrans-51.7-43.1179.7-82.3173.8-170.700112.6S254S254-E258 WeakPolarHBondContact O-CG 3.24Å; S254-E258 PolarHBondContact O-N 3.34Å
259K80.3Confident83.9Confident175 Ų17575.3 Ų75.376%0.76138%0.384SS*.Hα-helixtrans-73.3-32.5178.2-63.8-177.2-178.11790112.8L257L257-K259 PolarHBondContact O-N 2.84Å
260M85.1Confident84.8Confident10 Ų1074 Ų745%0.04938%0.38CS..Hα-helixtrans-80.7-29.3-174.2-62.7-177.3-175.800113.1I227 I230 E231 I234 V256 L257 C262 L263I227-M260 HydrophobicContact CD1-CE 4.45Å; I227-M260 HydrophobicContact CG2-CE 3.63Å; I230-M260 HydrophobicContact CB-SD 4.11Å; I230-M260 HydrophobicContact CG2-CE 4.48Å; I230-M260 HydrophobicContact CG2-SD 3.62Å; E231-M260 HydrophobicContact CB-SD 4.28Å; E231-M260 HydrophobicContact CG-CE 3.42Å; E231-M260 VanDerWaalsContact CG-CE 3.42Å; E231-M260 HydrophobicContact CG-CG 3.83Å; E231-M260 HydrophobicContact CG-SD 3.54Å; E231-M260 VanDerWaalsContact CG-SD 3.54Å; I234-M260 HydrophobicContact CG2-CB 4.23Å; V256-M260 HydrophobicContact CG1-CE 3.3Å; V256-M260 HydrophobicContact CG1-SD 3.91Å; V256-M260 WeakPolarHBondContact O-CG 3.32Å; L257-M260 PolarHBondContact O-N 3.49Å; M260-C262 PolarHBondContact O-N 3.07Å; M260-L263 HydrophobicContact CB-CD1 4.29Å; M260-L263 VanDerWaalsContact O-CB 3.25Å; M260-L263 WeakPolarHBondContact O-CB 3.16Å; M260-L263 VanDerWaalsContact O-CG 3.29Å; M260-L263 WeakPolarHBondContact O-CG 3.41Å; M260-L263 PolarHBondContact O-N 3.4Å
261L83.6Confident85.7Confident40 Ų4075.3 Ų75.321%0.20939%0.386CS..THydrogen-bonded Turntrans-66.6-21-179.7-70.3168.4000113.2I234 R239 P240 I245 L257 L263I234-L261 HydrophobicContact CG2-CD2 3.9Å; R239-L261 HydrophobicContact CG-CD2 4.39Å; R239-L261 PolarHBondContact NE-O 2.85Å; R239-L261 PolarHBondContact NH2-O 3.37Å; P240-L261 HydrophobicContact CG-CD2 3.84Å; I245-L261 HydrophobicContact CD1-CD1 3.97Å; L257-L261 HydrophobicContact CB-CD1 4.48Å; L257-L261 VanDerWaalsContact O-CG 3.3Å; L257-L261 WeakPolarHBondContact O-CG 3.37Å; L257-L261 PolarHBondContact O-N 3.26Å; L261-L263 VanDerWaalsContact C-N 3.28Å
262C83.9Confident86.8Confident107 Ų10765.6 Ų65.672%0.72334%0.343SS*.THydrogen-bonded Turntrans-75.9-12.3174-62.10000113.5M260M260-C262 PolarHBondContact O-N 3.07Å
263L84.2Confident87.7Confident53 Ų5365.5 Ų65.528%0.27736%0.355SS..SBendtrans-71.1149.3-178.6-61.2172.4000111.3E231 K235 M260 L261E231-L263 HydrophobicContact CB-CD1 4.46Å; E231-L263 HydrophobicContact CG-CD1 4.4Å; K235-L263 HydrophobicContact CG-CB 4.14Å; M260-L263 HydrophobicContact CB-CD1 4.29Å; M260-L263 VanDerWaalsContact O-CB 3.25Å; M260-L263 WeakPolarHBondContact O-CB 3.16Å; M260-L263 VanDerWaalsContact O-CG 3.29Å; M260-L263 WeakPolarHBondContact O-CG 3.41Å; M260-L263 PolarHBondContact O-N 3.4Å; L261-L263 VanDerWaalsContact C-N 3.28Å
264P89Confident88.3Confident93 Ų9372 Ų7260%0.60439%0.39SS*.PPolyproline II helixtrans-65.8135.9177.226.1-33.7000110.9
265P92.8Very high89Confident99 Ų9970.4 Ų70.464%0.64338%0.379SS*.PPolyproline II helixtrans-73.3148.8-179.430.7-34.9000111.9K235K235-P265 CarbonylContact O-C 3.48Å; K235-P265 WeakPolarHBondContact O-CA 3.2Å
266V94.2Very high89.8Confident43 Ų4369.8 Ų69.826%0.26137%0.373SS..  trans-112124.4170.91780000107.1K235 T236 Q270 L271K235-V266 HydrophobicContact CB-CG2 4.31Å; K235-V266 PolarHBondContact O-N 3.31Å; T236-V266 WeakPolarHBondContact CA-O 3.3Å; V266-Q270 HydrophobicContact CG1-CB 4.37Å; V266-L271 HydrophobicContact CG1-CD2 3.94Å; V266-L271 HydrophobicContact CG1-CG 4.28Å
267R94.2Very high90.6Very high159 Ų15976.5 Ų76.560%0.640%0.398SS*.  trans-72.3143.1179.7-63166.751.3138.8-1.8110.2D269 Q270R267-D269 VanDerWaalsContact C-N 3.26Å; R267-D269 WeakPolarHBondContact CB-OD1 3.35Å; R267-D269 IonicContact CZ-OD1 3.47Å; R267-D269 IonicContact CZ-OD2 2.74Å; R267-D269 IonicContact NE-OD1 2.75Å; R267-D269 PolarHBondContact NE-OD1 2.73Å; R267-D269 VanDerWaalsContact NE-OD1 3.08Å; R267-D269 IonicContact NE-OD2 3.61Å; R267-D269 PolarHBondContact NE-OD2 3.01Å; R267-D269 IonicContact NH2-OD1 3.67Å; R267-D269 IonicContact NH2-OD2 3.6Å; R267-D269 PolarHBondContact NH2-OD2 2.98Å; R267-D269 PolarHBondContact O-N 3.01Å; R267-Q270 HydrophobicContact CB-CG 4.21Å; R267-Q270 WeakPolarHBondContact O-CB 3.4Å; R267-Q270 PolarHBondContact O-N 3.38Å
268L95.5Very high91.2Very high16 Ų1681.5 Ų81.58%0.08442%0.419CS..Hα-helixtrans-58.5-37.2-179.6-176.661.4000112.9T236 Q270 L271 V272 M283 K284 L287T236-L268 HydrophobicContact CG2-CB 4.26Å; T236-L268 HydrophobicContact CG2-CD1 3.9Å; L268-Q270 PolarHBondContact O-N 3.07Å; L268-L271 HydrophobicContact CD1-CD1 4.5Å; L268-L271 WeakPolarHBondContact O-CB 3.5Å; L268-L271 PolarHBondContact O-N 2.73Å; L268-V272 HydrophobicContact CD1-CG2 4.36Å; L268-V272 HydrophobicContact CG-CG2 4.22Å; L268-V272 WeakPolarHBondContact O-CG2 3.34Å; L268-V272 PolarHBondContact O-N 3.38Å; L268-M283 HydrophobicContact CD1-CE 3.97Å; L268-M283 HydrophobicContact CD2-CB 3.84Å; L268-M283 HydrophobicContact CD2-CE 4.24Å; L268-M283 HydrophobicContact CG-CE 4.31Å; L268-K284 HydrophobicContact CD2-CG 3.99Å; L268-L287 HydrophobicContact CD1-CD1 3.89Å; L268-L287 HydrophobicContact CD2-CD1 4.24Å
269D94.7Very high91.9Very high52 Ų5274.9 Ų74.928%0.27839%0.389SS..Hα-helixtrans-63.3-23.6176.459.2-10000113.4R267 L271 V272 P273 L280R267-D269 VanDerWaalsContact C-N 3.26Å; R267-D269 WeakPolarHBondContact CB-OD1 3.35Å; R267-D269 IonicContact CZ-OD1 3.47Å; R267-D269 IonicContact CZ-OD2 2.74Å; R267-D269 IonicContact NE-OD1 2.75Å; R267-D269 PolarHBondContact NE-OD1 2.73Å; R267-D269 VanDerWaalsContact NE-OD1 3.08Å; R267-D269 IonicContact NE-OD2 3.61Å; R267-D269 PolarHBondContact NE-OD2 3.01Å; R267-D269 IonicContact NH2-OD1 3.67Å; R267-D269 IonicContact NH2-OD2 3.6Å; R267-D269 PolarHBondContact NH2-OD2 2.98Å; R267-D269 PolarHBondContact O-N 3.01Å; D269-L271 VanDerWaalsContact C-N 3.33Å; D269-V272 CarbonylContact O-C 3.45Å; D269-V272 VanDerWaalsContact O-C 3.28Å; D269-P273 WeakPolarHBondContact O-CA 3.49Å; D269-P273 VanDerWaalsContact O-N 3.13Å; D269-L280 HydrophobicContact CB-CD1 4.17Å; D269-L280 HydrophobicContact CB-CD2 4.46Å
270Q95.9Very high92.8Very high123 Ų12367.8 Ų67.858%0.57536%0.359SS*.Hα-helixtrans-72.3-27.6171.5-62.3177.816.300112.5V266 R267 L268V266-Q270 HydrophobicContact CG1-CB 4.37Å; R267-Q270 HydrophobicContact CB-CG 4.21Å; R267-Q270 WeakPolarHBondContact O-CB 3.4Å; R267-Q270 PolarHBondContact O-N 3.38Å; L268-Q270 PolarHBondContact O-N 3.07Å
271L95.7Very high93.4Very high41 Ų4169 Ų6922%0.21537%0.366CS..Hα-helixtrans-79.8-29.2176.7-58.8-173000112.3L220 F221 T236 V266 L268 D269L220-L271 HydrophobicContact CD2-CB 4.3Å; F221-L271 HydrophobicContact CE1-CD1 3.91Å; T236-L271 HydrophobicContact CG2-CD1 3.55Å; T236-L271 HydrophobicContact CG2-CG 4.43Å; V266-L271 HydrophobicContact CG1-CD2 3.94Å; V266-L271 HydrophobicContact CG1-CG 4.28Å; L268-L271 HydrophobicContact CD1-CD1 4.5Å; L268-L271 WeakPolarHBondContact O-CB 3.5Å; L268-L271 PolarHBondContact O-N 2.73Å; D269-L271 VanDerWaalsContact C-N 3.33Å
272V95.2Very high94.1Very high0 Ų067.1 Ų67.10%036%0.356CS..SBendtrans-131.865.9-178-84.90000110.7G212 H215 L220 L268 D269 N274 A275 L280 M283G212-V272 WeakPolarHBondContact O-CG1 3.1Å; H215-V272 HydrophobicContact CB-CG1 4.28Å; L220-V272 HydrophobicContact CD2-CG1 3.76Å; L268-V272 HydrophobicContact CD1-CG2 4.36Å; L268-V272 HydrophobicContact CG-CG2 4.22Å; L268-V272 WeakPolarHBondContact O-CG2 3.34Å; L268-V272 PolarHBondContact O-N 3.38Å; D269-V272 CarbonylContact O-C 3.45Å; D269-V272 VanDerWaalsContact O-C 3.28Å; V272-N274 PolarHBondContact O-N 2.83Å; V272-A275 HydrophobicContact CB-CB 3.97Å; V272-A275 HydrophobicContact CG2-CB 4.38Å; V272-A275 WeakPolarHBondContact O-CB 3.38Å; V272-A275 PolarHBondContact O-N 3.11Å; V272-L280 HydrophobicContact CB-CD2 4.39Å; V272-L280 HydrophobicContact CG2-CD2 3.44Å; V272-L280 VanDerWaalsContact CG2-CD2 3.44Å; V272-M283 HydrophobicContact CG1-CE 4.26Å; V272-M283 HydrophobicContact CG2-CE 3.86Å; V272-M283 HydrophobicContact CG2-SD 4.35Å
273P92.9Very high94.8Very high93 Ų9362 Ų6260%0.60432%0.321SS*.THydrogen-bonded Turntrans-65.2-24.5-172.325.6-35.4000114.2D269D269-P273 WeakPolarHBondContact O-CA 3.49Å; D269-P273 VanDerWaalsContact O-N 3.13Å
274N90Very high95.5Very high137 Ų13764.9 Ų64.973%0.73333%0.331SS*.THydrogen-bonded Turntrans-94.60.6-178.1-59.9-28000113.2V272V272-N274 PolarHBondContact O-N 2.83Å
275A94.7Very high95.9Very high11 Ų1164.3 Ų64.39%0.09132%0.32CS..  trans-73.5133.7-178.200000110.9H215 V272 A279 L280H215-A275 HydrophobicContact CB-CB 3.93Å; V272-A275 HydrophobicContact CB-CB 3.97Å; V272-A275 HydrophobicContact CG2-CB 4.38Å; V272-A275 WeakPolarHBondContact O-CB 3.38Å; V272-A275 PolarHBondContact O-N 3.11Å; A275-A279 HydrophobicContact CB-CB 4.24Å; A275-L280 HydrophobicContact CB-CD2 3.86Å; A275-L280 HydrophobicContact CB-CG 3.83Å
276P95.8Very high96.2Very high57 Ų5759.6 Ų59.637%0.3729%0.29SS..  trans-66158.7176.128.2-34.1000111.1F278 A279 L280 Y305P276-F278 VanDerWaalsContact C-N 3.35Å; P276-F278 PolarHBondContact O-N 2.81Å; P276-A279 HydrophobicContact CG-CB 3.79Å; P276-A279 WeakPolarHBondContact O-CA 3.26Å; P276-A279 WeakPolarHBondContact O-CB 3.42Å; P276-A279 PolarHBondContact O-N 3.36Å; P276-L280 PolarHBondContact O-N 2.92Å; P276-L280 VanDerWaalsContact O-N 3.11Å; P276-Y305 HydrophobicContact CG-CE2 4.25Å
277Y97Very high96.4Very high160 Ų16057.8 Ų57.863%0.62728%0.279SS*.Hα-helixtrans-48.3-51.5-176.3175.5-94.7000113.3A279 L280 D281Y277-A279 VanDerWaalsContact C-N 3.28Å; Y277-A279 PolarHBondContact O-N 3.17Å; Y277-L280 PolarHBondContact O-N 3.32Å; Y277-D281 HydrophobicContact CE1-CB 4.45Å; Y277-D281 WeakPolarHBondContact O-CB 3.48Å; Y277-D281 PolarHBondContact O-N 2.86Å
278F97.9Very high96.5Very high104 Ų10451.8 Ų51.846%0.45626%0.258SS..Hα-helixtrans-68.1-24.1-179-66.5-56.2000113.8P276 L282 H303 P304 Y305P276-F278 VanDerWaalsContact C-N 3.35Å; P276-F278 PolarHBondContact O-N 2.81Å; F278-L282 WeakPolarHBondContact O-CB 3.36Å; F278-L282 PolarHBondContact O-N 3.39Å; F278-L282 VanDerWaalsContact O-N 3.1Å; F278-H303 PolarHBondContact O-CE1 2.59Å; F278-H303 VanDerWaalsContact O-CE1 3.25Å; F278-P304 HydrophobicContact CD1-CB 3.71Å; F278-P304 HydrophobicContact CD1-CG 4.29Å; F278-P304 HydrophobicContact CD2-CB 4.46Å; F278-P304 HydrophobicContact CE1-CB 3.82Å; F278-P304 HydrophobicContact CE1-CG 4.22Å; F278-P304 HydrophobicContact CG-CB 4.06Å; F278-P304 HydrophobicContact CZ-CB 4.24Å; F278-Y305 HydrophobicContact CB-CD2 4.15Å
279A98Very high96.4Very high0 Ų051.3 Ų51.30%026%0.256CS..Hα-helixtrans-69.8-48.1171.700000110.5H215 A275 P276 Y277 D281 L282 M283 Y305H215-A279 WeakPolarHBondContact NE2-CB 3.12Å; A275-A279 HydrophobicContact CB-CB 4.24Å; P276-A279 HydrophobicContact CG-CB 3.79Å; P276-A279 WeakPolarHBondContact O-CA 3.26Å; P276-A279 WeakPolarHBondContact O-CB 3.42Å; P276-A279 PolarHBondContact O-N 3.36Å; Y277-A279 VanDerWaalsContact C-N 3.28Å; Y277-A279 PolarHBondContact O-N 3.17Å; A279-D281 VanDerWaalsContact C-N 3.31Å; A279-D281 PolarHBondContact O-N 2.91Å; A279-L282 PolarHBondContact O-N 3.45Å; A279-M283 WeakPolarHBondContact O-CB 3.39Å; A279-M283 VanDerWaalsContact O-CG 3.22Å; A279-M283 WeakPolarHBondContact O-CG 3.14Å; A279-M283 PolarHBondContact O-N 3.36Å; A279-Y305 HydrophobicContact CB-CD2 3.84Å; A279-Y305 HydrophobicContact CB-CE2 3.46Å; A279-Y305 VanDerWaalsContact CB-CE2 3.46Å
280L97.9Very high96.4Very high26 Ų2649.9 Ų49.914%0.13625%0.248CC..Hα-helixtrans-60.4-41.7176.8-70.8173.2000111.6D269 V272 A275 P276 Y277 M283 K284D269-L280 HydrophobicContact CB-CD1 4.17Å; D269-L280 HydrophobicContact CB-CD2 4.46Å; V272-L280 HydrophobicContact CB-CD2 4.39Å; V272-L280 HydrophobicContact CG2-CD2 3.44Å; V272-L280 VanDerWaalsContact CG2-CD2 3.44Å; A275-L280 HydrophobicContact CB-CD2 3.86Å; A275-L280 HydrophobicContact CB-CG 3.83Å; P276-L280 PolarHBondContact O-N 2.92Å; P276-L280 VanDerWaalsContact O-N 3.11Å; Y277-L280 PolarHBondContact O-N 3.32Å; L280-M283 PolarHBondContact O-N 3.45Å; L280-K284 VanDerWaalsContact O-CG 3.28Å; L280-K284 WeakPolarHBondContact O-CG 3.4Å; L280-K284 PolarHBondContact O-N 2.88Å
281D98.3Very high96.3Very high36 Ų3644.9 Ų44.919%0.19323%0.226CC..Hα-helixtrans-62.1-47.7177.4-170.656.3000111.9Y277 A279 M283 K284 H285 H303Y277-D281 HydrophobicContact CE1-CB 4.45Å; Y277-D281 WeakPolarHBondContact O-CB 3.48Å; Y277-D281 PolarHBondContact O-N 2.86Å; A279-D281 VanDerWaalsContact C-N 3.31Å; A279-D281 PolarHBondContact O-N 2.91Å; D281-M283 PolarHBondContact O-N 2.94Å; D281-K284 PolarHBondContact O-N 2.91Å; D281-H285 PolarHBondContact O-N 2.77Å; D281-H285 PolarHBondContact O-ND1 3.3Å; D281-H285 IonicContact OD1-CE1 2.91Å; D281-H285 PolarHBondContact OD1-CE1 3.45Å; D281-H285 IonicContact OD1-ND1 3.99Å; D281-H285 IonicContact OD2-CE1 3.73Å; D281-H303 IonicContact OD2-CE1 3.95Å; D281-H303 IonicContact OD2-NE2 3.06Å; D281-H303 PolarHBondContact OD2-NE2 3.48Å; D281-H303 VanDerWaalsContact OD2-NE2 3.16Å
282L98.6Very high96.1Very high0 Ų048.6 Ų48.60%025%0.246CC..Hα-helixtrans-57.9-48.2174.1178.656.3000111.3F122 I211 F278 A279 K284 H285 L286 L295 A300 H303 Y305F122-L282 HydrophobicContact CE2-CD2 4.07Å; F122-L282 HydrophobicContact CZ-CD1 4.42Å; F122-L282 HydrophobicContact CZ-CD2 3.91Å; I211-L282 HydrophobicContact CD1-CD2 3.99Å; I211-L282 HydrophobicContact CD1-CG 4.47Å; F278-L282 WeakPolarHBondContact O-CB 3.36Å; F278-L282 PolarHBondContact O-N 3.39Å; F278-L282 VanDerWaalsContact O-N 3.1Å; A279-L282 PolarHBondContact O-N 3.45Å; L282-K284 VanDerWaalsContact C-N 3.33Å; L282-K284 PolarHBondContact O-N 2.97Å; L282-H285 PolarHBondContact O-N 3.36Å; L282-H285 VanDerWaalsContact O-N 3.11Å; L282-L286 HydrophobicContact CD1-CD1 3.95Å; L282-L286 HydrophobicContact CD1-CG 4.17Å; L282-L286 HydrophobicContact CG-CD1 3.88Å; L282-L286 HydrophobicContact CG-CG 4.46Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 2.88Å; L282-L286 VanDerWaalsContact O-N 3.15Å; L282-L295 HydrophobicContact CD1-CD1 4.05Å; L282-A300 HydrophobicContact CD1-CB 4.46Å; L282-H303 HydrophobicContact CD1-CB 4.07Å; L282-Y305 HydrophobicContact CD2-CD1 3.48Å; L282-Y305 VanDerWaalsContact CD2-CD1 3.48Å; L282-Y305 HydrophobicContact CD2-CE1 4.34Å; L282-Y305 HydrophobicContact CD2-CG 4.07Å
283M98.5Very high96.2Very high0 Ų051.9 Ų51.90%027%0.269CS..Hα-helixtrans-61.4-38.6-179.2-69.8170.662.800112.4I211 L220 L268 V272 A279 L280 D281 H285 L286 L287I211-M283 HydrophobicContact CB-CG 4.3Å; I211-M283 HydrophobicContact CG2-CG 3.83Å; I211-M283 HydrophobicContact CG2-SD 4.04Å; L220-M283 HydrophobicContact CD1-CE 3.84Å; L220-M283 HydrophobicContact CD2-CE 4.49Å; L268-M283 HydrophobicContact CD1-CE 3.97Å; L268-M283 HydrophobicContact CD2-CB 3.84Å; L268-M283 HydrophobicContact CD2-CE 4.24Å; L268-M283 HydrophobicContact CG-CE 4.31Å; V272-M283 HydrophobicContact CG1-CE 4.26Å; V272-M283 HydrophobicContact CG2-CE 3.86Å; V272-M283 HydrophobicContact CG2-SD 4.35Å; A279-M283 WeakPolarHBondContact O-CB 3.39Å; A279-M283 VanDerWaalsContact O-CG 3.22Å; A279-M283 WeakPolarHBondContact O-CG 3.14Å; A279-M283 PolarHBondContact O-N 3.36Å; L280-M283 PolarHBondContact O-N 3.45Å; D281-M283 PolarHBondContact O-N 2.94Å; M283-H285 PolarHBondContact O-N 3.32Å; M283-L286 PolarHBondContact O-N 2.73Å; M283-L286 VanDerWaalsContact O-N 3.11Å; M283-L287 HydrophobicContact CB-CD1 4.34Å; M283-L287 HydrophobicContact CE-CD1 4.11Å; M283-L287 VanDerWaalsContact O-CB 3.32Å; M283-L287 WeakPolarHBondContact O-CB 3.36Å; M283-L287 WeakPolarHBondContact O-CG 3.42Å; M283-L287 PolarHBondContact O-N 3.49Å
284K97.9Very high96.4Very high113 Ų11348.2 Ų48.249%0.49124%0.243SC..Hα-helixtrans-60.8-32175.9-75.5170.1-175.9174.90112.8L268 L280 D281 L282 L288L268-K284 HydrophobicContact CD2-CG 3.99Å; L280-K284 VanDerWaalsContact O-CG 3.28Å; L280-K284 WeakPolarHBondContact O-CG 3.4Å; L280-K284 PolarHBondContact O-N 2.88Å; D281-K284 PolarHBondContact O-N 2.91Å; L282-K284 VanDerWaalsContact C-N 3.33Å; L282-K284 PolarHBondContact O-N 2.97Å; K284-L288 WeakPolarHBondContact O-CD2 3.45Å; K284-L288 WeakPolarHBondContact O-CG 3.22Å
285H98.3Very high96.8Very high80 Ų8042.7 Ų42.737%0.3721%0.214SC..Hα-helixtrans-86.6-11.2177.8-66.5102.8000113.9D281 L282 M283 R294 L295D281-H285 PolarHBondContact O-N 2.77Å; D281-H285 PolarHBondContact O-ND1 3.3Å; D281-H285 IonicContact OD1-CE1 2.91Å; D281-H285 PolarHBondContact OD1-CE1 3.45Å; D281-H285 IonicContact OD1-ND1 3.99Å; D281-H285 IonicContact OD2-CE1 3.73Å; L282-H285 PolarHBondContact O-N 3.36Å; L282-H285 VanDerWaalsContact O-N 3.11Å; M283-H285 PolarHBondContact O-N 3.32Å; H285-R294 WeakPolarHBondContact O-CA 3.42Å; H285-L295 HydrophobicContact CB-CD1 3.36Å; H285-L295 HydrophobicContact CB-CG 3.69Å; H285-L295 PolarHBondContact O-N 3Å
286L98.6Very high96.9Very high0 Ų044.4 Ų44.40%023%0.225CC..Hα-helixtrans-98.6-38.2174.9-66.4176.6000112.4F122 M204 I211 L282 M283 L288 R294 L295F122-L286 HydrophobicContact CZ-CD1 4.39Å; M204-L286 HydrophobicContact CB-CD2 4.14Å; M204-L286 HydrophobicContact CE-CD2 3.57Å; I211-L286 HydrophobicContact CD1-CD1 3.8Å; L282-L286 HydrophobicContact CD1-CD1 3.95Å; L282-L286 HydrophobicContact CD1-CG 4.17Å; L282-L286 HydrophobicContact CG-CD1 3.88Å; L282-L286 HydrophobicContact CG-CG 4.46Å; L282-L286 WeakPolarHBondContact O-CG 3.5Å; L282-L286 PolarHBondContact O-N 2.88Å; L282-L286 VanDerWaalsContact O-N 3.15Å; M283-L286 PolarHBondContact O-N 2.73Å; M283-L286 VanDerWaalsContact O-N 3.11Å; L286-L288 VanDerWaalsContact C-N 3.31Å; L286-L288 PolarHBondContact O-N 3.35Å; L286-L288 VanDerWaalsContact O-N 3.15Å; L286-R294 WeakPolarHBondContact O-CD 3.47Å; L286-R294 WeakPolarHBondContact O-CG 3.38Å; L286-L295 HydrophobicContact CD2-CB 4.14Å
287L98.3Very high97.1Very high5 Ų541.7 Ų41.73%0.02621%0.207CC..SBendtrans-9062.3-177.2-61.7176.2000111.1W205 L220 F221 V237 L268 M283W205-L287 HydrophobicContact CD2-CD2 4.1Å; W205-L287 HydrophobicContact CE3-CD2 4.05Å; W205-L287 HydrophobicContact CH2-CD2 4.11Å; W205-L287 HydrophobicContact CZ2-CD2 4.2Å; W205-L287 HydrophobicContact CZ3-CB 4.17Å; W205-L287 HydrophobicContact CZ3-CD2 4.07Å; L220-L287 HydrophobicContact CD1-CD1 3.84Å; F221-L287 HydrophobicContact CE2-CD2 4.27Å; F221-L287 HydrophobicContact CZ-CD1 4.49Å; V237-L287 HydrophobicContact CG1-CB 4.49Å; V237-L287 VanDerWaalsContact CG1-O 3.29Å; V237-L287 WeakPolarHBondContact CG1-O 3.04Å; L268-L287 HydrophobicContact CD1-CD1 3.89Å; L268-L287 HydrophobicContact CD2-CD1 4.24Å; M283-L287 HydrophobicContact CB-CD1 4.34Å; M283-L287 HydrophobicContact CE-CD1 4.11Å; M283-L287 VanDerWaalsContact O-CB 3.32Å; M283-L287 WeakPolarHBondContact O-CB 3.36Å; M283-L287 WeakPolarHBondContact O-CG 3.42Å; M283-L287 PolarHBondContact O-N 3.49Å
288L96.8Very high97.1Very high34 Ų3436.2 Ų36.218%0.17819%0.187CC..  trans-110.7144.4175.1-62.9172.9000110.6P238 K284 L286 S293 R294P238-L288 HydrophobicContact CG-CD2 3.95Å; K284-L288 WeakPolarHBondContact O-CD2 3.45Å; K284-L288 WeakPolarHBondContact O-CG 3.22Å; L286-L288 VanDerWaalsContact C-N 3.31Å; L286-L288 PolarHBondContact O-N 3.35Å; L286-L288 VanDerWaalsContact O-N 3.15Å; L288-S293 WeakPolarHBondContact CD1-O 3.45Å; L288-R294 HydrophobicContact CB-CG 4.03Å; L288-R294 PolarHBondContact O-NE 3.36Å; L288-R294 PolarHBondContact O-NH2 3.38Å; L288-R294 VanDerWaalsContact O-NH2 3.08Å
289F94.5Very high97.1Very high6 Ų639 Ų393%0.02620%0.195CC..SBendtrans-61.8-52.4179.7179.4-91.7000111.5P189 L193 I234 V237 P240 D244 I245 I248 L257 P291 R294P189-F289 HydrophobicContact CB-CD2 4.08Å; P189-F289 HydrophobicContact CB-CE2 4.19Å; P189-F289 HydrophobicContact CG-CD2 4.41Å; L193-F289 HydrophobicContact CD1-CE2 3.92Å; L193-F289 HydrophobicContact CD1-CZ 3.97Å; I234-F289 HydrophobicContact CD1-CD2 3.6Å; I234-F289 HydrophobicContact CD1-CE2 3.76Å; V237-F289 HydrophobicContact CG2-CB 4.39Å; P240-F289 HydrophobicContact CB-CB 3.96Å; P240-F289 HydrophobicContact CB-CD1 3.37Å; P240-F289 HydrophobicContact CB-CD2 4.19Å; P240-F289 HydrophobicContact CB-CE1 3.76Å; P240-F289 HydrophobicContact CB-CG 3.58Å; P240-F289 HydrophobicContact CB-CZ 4.31Å; P240-F289 HydrophobicContact CG-CB 4.46Å; P240-F289 HydrophobicContact CG-CD1 4.11Å; P240-F289 HydrophobicContact CG-CD2 4.07Å; P240-F289 HydrophobicContact CG-CE1 4.29Å; P240-F289 HydrophobicContact CG-CE2 4.27Å; P240-F289 HydrophobicContact CG-CG 3.96Å; P240-F289 HydrophobicContact CG-CZ 4.35Å; D244-F289 HydrophobicContact CB-CD1 3.95Å; D244-F289 HydrophobicContact CB-CE1 4.27Å; I245-F289 HydrophobicContact CG1-CE1 4.26Å; I245-F289 HydrophobicContact CG1-CZ 4.39Å; I248-F289 HydrophobicContact CD1-CD1 4.26Å; I248-F289 HydrophobicContact CD1-CE1 3.33Å; I248-F289 HydrophobicContact CD1-CE2 4.07Å; I248-F289 HydrophobicContact CD1-CZ 3.22Å; I248-F289 HydrophobicContact CG1-CE1 4.12Å; I248-F289 HydrophobicContact CG1-CZ 4.39Å; L257-F289 HydrophobicContact CD1-CE2 3.85Å; L257-F289 HydrophobicContact CD1-CZ 3.5Å; L257-F289 HydrophobicContact CD2-CE2 4.23Å; F289-P291 WeakPolarHBondContact O-CD 3.44Å; F289-R294 PolarHBondContact O-NH2 3.04Å
290N92.9Very high97.1Very high22 Ų2239 Ų3912%0.11820%0.195CC..SBendtrans-71.7119177.9-175.6-19.6000110.4D244 N292 S293D244-N290 HydrophobicContact CB-CB 4.18Å; D244-N290 WeakPolarHBondContact OD1-CB 3.4Å; D244-N290 PolarHBondContact OD1-ND2 3.5Å; N290-N292 PolarHBondContact O-N 3.03Å; N290-N292 WeakPolarHBondContact OD1-CB 3.29Å; N290-N292 PolarHBondContact OD1-N 3.15Å; N290-S293 PolarHBondContact O-N 3.27Å; N290-S293 VanDerWaalsContact O-N 3.16Å
291P93.7Very high97.1Very high17 Ų1737.7 Ų37.711%0.1119%0.188CC..G310 helixtrans-63-26.4-17825.4-34.6000113.8F289 S293F289-P291 WeakPolarHBondContact O-CD 3.44Å; P291-S293 VanDerWaalsContact C-N 3.33Å
292N93.2Very high97Very high120 Ų12040.5 Ų40.564%0.64220%0.2SC*.G310 helixtrans-81.2-14.4-179.5-59-45.4000113.1N290N290-N292 PolarHBondContact O-N 3.03Å; N290-N292 WeakPolarHBondContact OD1-CB 3.29Å; N290-N292 PolarHBondContact OD1-N 3.15Å
293S95.7Very high97Very high69 Ų6941.2 Ų41.248%0.48320%0.203SC..G310 helixtrans-88.3-12.7176-54.40000112.9L288 N290 P291L288-S293 WeakPolarHBondContact CD1-O 3.45Å; N290-S293 PolarHBondContact O-N 3.27Å; N290-S293 VanDerWaalsContact O-N 3.16Å; P291-S293 VanDerWaalsContact C-N 3.33Å
294R97.8Very high96.9Very high16 Ų1644.2 Ų44.26%0.0622%0.223CC..SBendtrans-68.4148.6178.8-59.9176.7-168.1144.913.4110.2E190 G201 M204 H285 L286 L288 F289 S296E190-R294 IonicContact OE1-CZ 3.45Å; E190-R294 IonicContact OE1-NH1 3.91Å; E190-R294 PolarHBondContact OE1-NH1 3.08Å; E190-R294 IonicContact OE1-NH2 3.24Å; E190-R294 IonicContact OE2-CZ 3.79Å; E190-R294 IonicContact OE2-NH1 2.97Å; E190-R294 PolarHBondContact OE2-NH1 3.23Å; E190-R294 IonicContact OE2-NH2 3.51Å; E190-R294 PolarHBondContact OE2-NH2 2.84Å; G201-R294 WeakPolarHBondContact O-CD 3.41Å; G201-R294 PolarHBondContact O-NH1 3.15Å; M204-R294 HydrophobicContact CB-CB 4.39Å; H285-R294 WeakPolarHBondContact O-CA 3.42Å; L286-R294 WeakPolarHBondContact O-CD 3.47Å; L286-R294 WeakPolarHBondContact O-CG 3.38Å; L288-R294 HydrophobicContact CB-CG 4.03Å; L288-R294 PolarHBondContact O-NE 3.36Å; L288-R294 PolarHBondContact O-NH2 3.38Å; L288-R294 VanDerWaalsContact O-NH2 3.08Å; F289-R294 PolarHBondContact O-NH2 3.04Å; R294-S296 PolarHBondContact O-N 3.28Å
295L98Very high96.9Very high21 Ų2139 Ų3911%0.1120%0.2CC..PPolyproline II helixtrans-55.1135.7168.9-79.5167.7000110.1M204 L282 H285 L286 R299 A300M204-L295 WeakPolarHBondContact CE-O 2.87Å; M204-L295 WeakPolarHBondContact CG-O 3.35Å; L282-L295 HydrophobicContact CD1-CD1 4.05Å; H285-L295 HydrophobicContact CB-CD1 3.36Å; H285-L295 HydrophobicContact CB-CG 3.69Å; H285-L295 PolarHBondContact O-N 3Å; L286-L295 HydrophobicContact CD2-CB 4.14Å; L295-R299 HydrophobicContact CD2-CB 3.58Å; L295-A300 HydrophobicContact CB-CB 4.5Å
296S98.3Very high96.9Very high46 Ų4635.2 Ų35.232%0.32218%0.182SC..PPolyproline II helixtrans-70.6162164.885.10000109.9R294 E298 R299 A300R294-S296 PolarHBondContact O-N 3.28Å; S296-E298 VanDerWaalsContact C-N 3.26Å; S296-E298 WeakPolarHBondContact CB-OE2 3.46Å; S296-E298 PolarHBondContact O-N 3.09Å; S296-E298 PolarHBondContact OG-OE2 3.38Å; S296-R299 PolarHBondContact O-N 2.81Å; S296-R299 PolarHBondContact OG-N 3.41Å; S296-A300 WeakPolarHBondContact O-CB 3.38Å; S296-A300 PolarHBondContact O-N 3.3Å
297I98.4Very high96.7Very high0 Ų042.3 Ų42.30%021%0.209CC..Hα-helixtrans-64.3-34.5-179-166.860.7000112.5F122 V125 L126 H129 M204 L207 R299 A300 L301F122-I297 HydrophobicContact CB-CD1 3.77Å; F122-I297 HydrophobicContact CD1-CD1 3.8Å; F122-I297 HydrophobicContact CD2-CD1 4.48Å; F122-I297 HydrophobicContact CG-CD1 3.78Å; F122-I297 WeakPolarHBondContact O-CG1 3.34Å; V125-I297 HydrophobicContact CB-CD1 4Å; V125-I297 HydrophobicContact CB-CG1 4.11Å; V125-I297 HydrophobicContact CG1-CB 4.34Å; V125-I297 HydrophobicContact CG1-CD1 3.95Å; V125-I297 HydrophobicContact CG1-CG1 3.95Å; L126-I297 HydrophobicContact CB-CG1 4.02Å; L126-I297 HydrophobicContact CB-CG2 4.19Å; L126-I297 HydrophobicContact CD1-CG2 3.88Å; H129-I297 HydrophobicContact CB-CG2 4.12Å; M204-I297 HydrophobicContact CE-CB 4.2Å; M204-I297 HydrophobicContact CE-CD1 3.81Å; M204-I297 HydrophobicContact SD-CB 3.89Å; M204-I297 HydrophobicContact SD-CD1 4.03Å; L207-I297 HydrophobicContact CD1-CD1 3.99Å; I297-R299 PolarHBondContact O-N 3.2Å; I297-A300 HydrophobicContact CD1-CB 4.49Å; I297-A300 PolarHBondContact O-N 3.03Å; I297-L301 WeakPolarHBondContact O-CG 3.19Å; I297-L301 PolarHBondContact O-N 2.82Å
298E97.3Very high96.5Very high45 Ų4547.8 Ų47.821%0.2124%0.238CC..Hα-helixtrans-59.4-46174.2-60.583-177.500110.9L126 S296 F369L126-E298 HydrophobicContact CD1-CG 3.95Å; S296-E298 VanDerWaalsContact C-N 3.26Å; S296-E298 WeakPolarHBondContact CB-OE2 3.46Å; S296-E298 PolarHBondContact O-N 3.09Å; S296-E298 PolarHBondContact OG-OE2 3.38Å; E298-F369 HydrophobicContact CB-CE1 3.62Å; E298-F369 HydrophobicContact CB-CZ 3.97Å; E298-F369 HydrophobicContact CG-CE1 4.35Å; E298-F369 HydrophobicContact CG-CZ 4.31Å
299R97.9Very high96.5Very high162 Ų16248.4 Ų48.461%0.61124%0.239SC*.Hα-helixtrans-73.9-33.8177.5-62.2-177.669.4-178.81.5112.1L295 S296 I297 L301 Q302 H303L295-R299 HydrophobicContact CD2-CB 3.58Å; S296-R299 PolarHBondContact O-N 2.81Å; S296-R299 PolarHBondContact OG-N 3.41Å; I297-R299 PolarHBondContact O-N 3.2Å; R299-L301 VanDerWaalsContact C-N 3.32Å; R299-L301 PolarHBondContact O-N 3.46Å; R299-Q302 PolarHBondContact O-N 3.39Å; R299-H303 PolarHBondContact O-N 2.91Å
300A98.4Very high96.4Very high0 Ų051.8 Ų51.80%025%0.252CS..Hα-helixtrans-65.2-35.1176.800000112.1F122 M204 L282 L295 S296 I297 Q302 H303F122-A300 HydrophobicContact CD2-CB 4.07Å; F122-A300 HydrophobicContact CE2-CB 3.64Å; F122-A300 HydrophobicContact CZ-CB 4.02Å; M204-A300 HydrophobicContact CE-CB 3.97Å; L282-A300 HydrophobicContact CD1-CB 4.46Å; L295-A300 HydrophobicContact CB-CB 4.5Å; S296-A300 WeakPolarHBondContact O-CB 3.38Å; S296-A300 PolarHBondContact O-N 3.3Å; I297-A300 HydrophobicContact CD1-CB 4.49Å; I297-A300 PolarHBondContact O-N 3.03Å; A300-Q302 PolarHBondContact O-N 3.33Å; A300-H303 WeakPolarHBondContact O-CB 3.34Å; A300-H303 PolarHBondContact O-N 3.33Å; A300-H303 VanDerWaalsContact O-N 3.12Å
301L97.4Very high96.3Very high0 Ų053.2 Ų53.20%026%0.26CS..Hα-helixtrans-65.9-25173.1-80.5163.2000113.5Y119 F122 L126 I297 R299 H303 Y310 Q315Y119-L301 HydrophobicContact CD2-CD2 3.92Å; Y119-L301 HydrophobicContact CE2-CD2 3.69Å; F122-L301 HydrophobicContact CB-CD2 3.6Å; F122-L301 HydrophobicContact CB-CG 3.92Å; F122-L301 HydrophobicContact CD2-CD2 4.37Å; F122-L301 HydrophobicContact CD2-CG 4.43Å; L126-L301 HydrophobicContact CB-CD1 3.96Å; L126-L301 HydrophobicContact CD1-CD1 4.45Å; L126-L301 HydrophobicContact CD2-CD1 3.63Å; L126-L301 HydrophobicContact CG-CD1 4.21Å; I297-L301 WeakPolarHBondContact O-CG 3.19Å; I297-L301 PolarHBondContact O-N 2.82Å; R299-L301 VanDerWaalsContact C-N 3.32Å; R299-L301 PolarHBondContact O-N 3.46Å; L301-H303 VanDerWaalsContact C-N 3.31Å; L301-Y310 WeakPolarHBondContact O-CD2 3.3Å; L301-Q315 HydrophobicContact CD1-CG 4.2Å; L301-Q315 HydrophobicContact CD2-CG 4.49Å
302Q96.4Very high96Very high95 Ų9554.5 Ų54.544%0.44427%0.269SS..THydrogen-bonded Turntrans-85.6-3.5174.6-63-179.3-2000113.2R299 A300 F369R299-Q302 PolarHBondContact O-N 3.39Å; A300-Q302 PolarHBondContact O-N 3.33Å; Q302-F369 HydrophobicContact CG-CE1 4.41Å
303H98.2Very high95.7Very high14 Ų1458.5 Ų58.57%0.06528%0.276CS..SBendtrans-68.9139.6-174.7-166.3-88.1000111.7F278 D281 L282 R299 A300 L301 Y305 V306 R307F278-H303 PolarHBondContact O-CE1 2.59Å; F278-H303 VanDerWaalsContact O-CE1 3.25Å; D281-H303 IonicContact OD2-CE1 3.95Å; D281-H303 IonicContact OD2-NE2 3.06Å; D281-H303 PolarHBondContact OD2-NE2 3.48Å; D281-H303 VanDerWaalsContact OD2-NE2 3.16Å; L282-H303 HydrophobicContact CD1-CB 4.07Å; R299-H303 PolarHBondContact O-N 2.91Å; A300-H303 WeakPolarHBondContact O-CB 3.34Å; A300-H303 PolarHBondContact O-N 3.33Å; A300-H303 VanDerWaalsContact O-N 3.12Å; L301-H303 VanDerWaalsContact C-N 3.31Å; H303-Y305 VanDerWaalsContact ND1-CB 3.3Å; H303-Y305 WeakPolarHBondContact ND1-CB 3.48Å; H303-Y305 PolarHBondContact ND1-N 2.83Å; H303-Y305 VanDerWaalsContact ND1-N 3.18Å; H303-Y305 PolarHBondContact O-N 2.75Å; H303-V306 PolarHBondContact O-N 3.23Å; H303-V306 VanDerWaalsContact O-N 3.11Å; H303-R307 PolarHBondContact O-N 2.7Å
304P97.9Very high95.3Very high63 Ų6358.8 Ų58.841%0.40927%0.269SS..G310 helixtrans-51.3-30.4179.5-30.736000114.9F278 V306 R307F278-P304 HydrophobicContact CD1-CB 3.71Å; F278-P304 HydrophobicContact CD1-CG 4.29Å; F278-P304 HydrophobicContact CD2-CB 4.46Å; F278-P304 HydrophobicContact CE1-CB 3.82Å; F278-P304 HydrophobicContact CE1-CG 4.22Å; F278-P304 HydrophobicContact CG-CB 4.06Å; F278-P304 HydrophobicContact CZ-CB 4.24Å; P304-V306 VanDerWaalsContact C-N 3.34Å; P304-V306 PolarHBondContact O-N 2.78Å; P304-R307 WeakPolarHBondContact O-CB 3.36Å; P304-R307 PolarHBondContact O-N 3.5Å
305Y98.3Very high95Very high4 Ų458 Ų582%0.01627%0.266CS..G310 helixtrans-59.5-36.4-179.9-175.7-112.3000114.7V114 Q115 T118 H215 P276 F278 A279 L282 H303V114-Y305 VanDerWaalsContact CG1-OH 3.32Å; V114-Y305 WeakPolarHBondContact CG1-OH 3.49Å; Q115-Y305 HydrophobicContact CG-CD2 4.3Å; Q115-Y305 HydrophobicContact CG-CE1 4.14Å; Q115-Y305 HydrophobicContact CG-CE2 3.69Å; T118-Y305 HydrophobicContact CG2-CD1 4.33Å; T118-Y305 HydrophobicContact CG2-CE1 4.08Å; H215-Y305 PolarHBondContact CE1-OH 2.82Å; H215-Y305 AromaticContact NE2-CZ 3.61Å; H215-Y305 PolarHBondContact NE2-OH 3.06Å; P276-Y305 HydrophobicContact CG-CE2 4.25Å; F278-Y305 HydrophobicContact CB-CD2 4.15Å; A279-Y305 HydrophobicContact CB-CD2 3.84Å; A279-Y305 HydrophobicContact CB-CE2 3.46Å; A279-Y305 VanDerWaalsContact CB-CE2 3.46Å; L282-Y305 HydrophobicContact CD2-CD1 3.48Å; L282-Y305 VanDerWaalsContact CD2-CD1 3.48Å; L282-Y305 HydrophobicContact CD2-CE1 4.34Å; L282-Y305 HydrophobicContact CD2-CG 4.07Å; H303-Y305 VanDerWaalsContact ND1-CB 3.3Å; H303-Y305 WeakPolarHBondContact ND1-CB 3.48Å; H303-Y305 PolarHBondContact ND1-N 2.83Å; H303-Y305 VanDerWaalsContact ND1-N 3.18Å; H303-Y305 PolarHBondContact O-N 2.75Å
306V96.6Very high94.8Very high0 Ų058.7 Ų58.70%027%0.27CS..G310 helixtrans-104.62.5-178.9-640000112.8T118 Y119 F122 H303 P304 L308 F309 Y310T118-V306 HydrophobicContact CG2-CG1 3.8Å; Y119-V306 HydrophobicContact CD2-CB 4.2Å; Y119-V306 HydrophobicContact CD2-CG2 4.48Å; F122-V306 HydrophobicContact CD2-CG1 4.24Å; F122-V306 HydrophobicContact CD2-CG2 4.4Å; F122-V306 HydrophobicContact CE2-CG1 4.13Å; H303-V306 PolarHBondContact O-N 3.23Å; H303-V306 VanDerWaalsContact O-N 3.11Å; P304-V306 VanDerWaalsContact C-N 3.34Å; P304-V306 PolarHBondContact O-N 2.78Å; V306-L308 PolarHBondContact O-N 2.86Å; V306-L308 VanDerWaalsContact O-N 3.12Å; V306-F309 PolarHBondContact O-N 2.93Å; V306-Y310 PolarHBondContact O-N 3.22Å
307R95Very high94.7Very high149 Ų14957.2 Ų57.256%0.56226%0.259SS*.G310 helixtrans-55.5-34.9-173.4-177175.5179.4165.80.3113.4H303 P304 F309 Y310H303-R307 PolarHBondContact O-N 2.7Å; P304-R307 WeakPolarHBondContact O-CB 3.36Å; P304-R307 PolarHBondContact O-N 3.5Å; R307-F309 PolarHBondContact O-N 2.81Å; R307-Y310 WeakPolarHBondContact O-CB 3.41Å; R307-Y310 PolarHBondContact O-N 2.9Å; R307-Y310 VanDerWaalsContact O-N 3.15Å
308L95.4Very high94.4Very high120 Ų12057.6 Ų57.663%0.62826%0.261SS*.G310 helixtrans-57.7-33179.9-178.860.9000113I112 V306I112-L308 HydrophobicContact CD1-CD2 3.32Å; V306-L308 PolarHBondContact O-N 2.86Å; V306-L308 VanDerWaalsContact O-N 3.12Å
309F95Very high94Very high48 Ų4859.8 Ų59.821%0.21127%0.274CS..G310 helixtrans-103.34.6-178.5-62.6-70.5000113.1I112 Q115 F116 Y119 V306 R307 N311I112-F309 HydrophobicContact CD1-CE1 4.44Å; I112-F309 HydrophobicContact CD1-CE2 3.78Å; I112-F309 HydrophobicContact CD1-CZ 3.38Å; I112-F309 HydrophobicContact CG1-CZ 3.87Å; Q115-F309 HydrophobicContact CB-CD2 4.08Å; Q115-F309 HydrophobicContact CB-CE2 3.67Å; F116-F309 HydrophobicContact CB-CD2 4.22Å; F116-F309 HydrophobicContact CB-CE1 4.04Å; F116-F309 HydrophobicContact CB-CE2 3.72Å; F116-F309 HydrophobicContact CB-CZ 3.6Å; F116-F309 AromaticContact CD2-CD1 3.54Å; F116-F309 HydrophobicContact CD2-CD1 3.54Å; F116-F309 HydrophobicContact CD2-CD2 4.39Å; F116-F309 AromaticContact CD2-CE1 3.64Å; F116-F309 HydrophobicContact CD2-CE1 3.64Å; F116-F309 HydrophobicContact CD2-CE2 4.48Å; F116-F309 AromaticContact CD2-CG 3.92Å; F116-F309 HydrophobicContact CD2-CG 3.92Å; F116-F309 HydrophobicContact CD2-CZ 4.11Å; F116-F309 HydrophobicContact CE2-CD1 4.2Å; F116-F309 HydrophobicContact CE2-CE1 4.43Å; F116-F309 HydrophobicContact CG-CD1 4.38Å; F116-F309 HydrophobicContact CG-CE1 4.07Å; F116-F309 HydrophobicContact CG-CZ 4.15Å; Y119-F309 HydrophobicContact CD1-CB 3.66Å; Y119-F309 HydrophobicContact CD2-CB 4.24Å; Y119-F309 HydrophobicContact CE1-CB 4.27Å; Y119-F309 WeakPolarHBondContact CE1-O 3.41Å; Y119-F309 HydrophobicContact CG-CB 3.64Å; V306-F309 PolarHBondContact O-N 2.93Å; R307-F309 PolarHBondContact O-N 2.81Å; F309-N311 PolarHBondContact O-N 2.72Å
310Y93.4Very high93.5Very high76 Ų7656.9 Ų56.930%0.29827%0.266SS..  trans-59112.8-176.8-176.8-86.3000111.2L301 V306 R307L301-Y310 WeakPolarHBondContact O-CD2 3.3Å; V306-Y310 PolarHBondContact O-N 3.22Å; R307-Y310 WeakPolarHBondContact O-CB 3.41Å; R307-Y310 PolarHBondContact O-N 2.9Å; R307-Y310 VanDerWaalsContact O-N 3.15Å
311N91.1Very high93Very high52 Ų5261.6 Ų61.628%0.27829%0.288SS..  trans-132.7113.4174.5-174.8-3000109.7Y119 F309 R313 E314 Q315Y119-N311 PolarHBondContact OH-N 3.09Å; Y119-N311 PolarHBondContact OH-O 3.2Å; F309-N311 PolarHBondContact O-N 2.72Å; N311-R313 PolarHBondContact O-N 2.83Å; N311-R313 WeakPolarHBondContact OD1-CB 3.46Å; N311-R313 PolarHBondContact OD1-N 2.74Å; N311-E314 HydrophobicContact CB-CB 4.35Å; N311-E314 HydrophobicContact CB-CG 4.3Å; N311-E314 PolarHBondContact ND2-OE1 3.36Å; N311-E314 PolarHBondContact O-N 2.93Å; N311-Q315 PolarHBondContact O-NE2 3.36Å
312S86.6Confident92.6Very high44 Ų4461.7 Ų61.731%0.30829%0.288SS..G310 helixtrans-63-29.8179.455.40000112.4E314 Q315 C363S312-E314 PolarHBondContact O-N 3.02Å; S312-Q315 PolarHBondContact O-N 3.44Å; S312-C363 PolarHBondContact O-SG 2.91Å
313R87.3Confident92.1Very high205 Ų20562.2 Ų62.277%0.77430%0.303SS*.G310 helixtrans-67.3-23.4-179.2-62.1-178.7179.4177.30.5113.6N311N311-R313 PolarHBondContact O-N 2.83Å; N311-R313 WeakPolarHBondContact OD1-CB 3.46Å; N311-R313 PolarHBondContact OD1-N 2.74Å
314E87.1Confident91.7Very high75 Ų7562.6 Ų62.635%0.3531%0.305SS..G310 helixtrans-90.9-13.6178.4-72171.7-150.300112.5N311 S312 L316N311-E314 HydrophobicContact CB-CB 4.35Å; N311-E314 HydrophobicContact CB-CG 4.3Å; N311-E314 PolarHBondContact ND2-OE1 3.36Å; N311-E314 PolarHBondContact O-N 2.93Å; S312-E314 PolarHBondContact O-N 3.02Å; E314-L316 VanDerWaalsContact C-N 3.28Å; E314-L316 PolarHBondContact O-N 2.9Å
315Q91.7Very high91.2Very high0 Ų063.8 Ų63.80%031%0.313CS..  trans-82.474.5177.2-68.1175.554.200109.6L126 L301 N311 S312 A364L126-Q315 HydrophobicContact CD2-CB 3.69Å; L126-Q315 HydrophobicContact CD2-CG 4.15Å; L301-Q315 HydrophobicContact CD1-CG 4.2Å; L301-Q315 HydrophobicContact CD2-CG 4.49Å; N311-Q315 PolarHBondContact O-NE2 3.36Å; S312-Q315 PolarHBondContact O-N 3.44Å; Q315-A364 HydrophobicContact CB-CB 4.01Å; Q315-A364 WeakPolarHBondContact O-CB 3.31Å; Q315-A364 PolarHBondContact O-N 3.4Å
316L94.1Very high90.8Very high34 Ų3465 Ų6518%0.17832%0.319CS..EExtended strand (participates in β ladder)trans-79142.3177.7-56.3178.9000110.4Y127 E314 V361 I362Y127-L316 HydrophobicContact CD2-CB 4.14Å; Y127-L316 WeakPolarHBondContact CD2-O 3.36Å; E314-L316 VanDerWaalsContact C-N 3.28Å; E314-L316 PolarHBondContact O-N 2.9Å; L316-V361 HydrophobicContact CB-CG1 3.94Å; L316-V361 HydrophobicContact CD1-CG1 4.16Å; L316-V361 HydrophobicContact CD2-CG1 4.37Å; L316-V361 HydrophobicContact CG-CG1 4.39Å; L316-I362 CarbonylContact C-O 3.31Å; L316-I362 WeakPolarHBondContact CA-O 3.14Å
317T95.1Very high90.1Very high15 Ų1569.1 Ų69.19%0.09234%0.341CS..EExtended strand (participates in β ladder)trans-129152.9174.955.10000110.9L126 S130 V361 I362 A364L126-T317 HydrophobicContact CD1-CG2 4.13Å; L126-T317 HydrophobicContact CD2-CG2 4.04Å; L126-T317 HydrophobicContact CG-CG2 3.92Å; S130-T317 WeakPolarHBondContact OG-CA 3.45Å; T317-V361 WeakPolarHBondContact O-CA 3.43Å; T317-I362 PolarHBondContact N-O 3.2Å; T317-I362 PolarHBondContact O-N 3.07Å; T317-I362 WeakPolarHBondContact OG1-CG1 3.21Å; T317-A364 HydrophobicContact CG2-CB 4.06Å
318M92.1Very high89.4Confident9 Ų962.9 Ų62.94%0.04432%0.319CS..EExtended strand (participates in β ladder)trans-83.6135.7169.7-70.5-72.3-76.600109.1Y127 S130 A131 K320 I322 K360 V361Y127-M318 HydrophobicContact CD2-CG 4.08Å; Y127-M318 HydrophobicContact CE1-CG 4.39Å; Y127-M318 HydrophobicContact CE2-CG 3.57Å; Y127-M318 HydrophobicContact CE2-SD 3.71Å; Y127-M318 VanDerWaalsContact CZ-SD 3.57Å; Y127-M318 PolarHBondContact OH-SD 3.27Å; S130-M318 PolarHBondContact OG-N 2.9Å; A131-M318 HydrophobicContact CB-CB 3.83Å; A131-M318 HydrophobicContact CB-CG 3.79Å; M318-K320 VanDerWaalsContact C-N 3.25Å; M318-K320 PolarHBondContact O-N 3.23Å; M318-I322 HydrophobicContact CE-CD1 4.17Å; M318-I322 HydrophobicContact CE-CG1 4Å; M318-K360 WeakPolarHBondContact CA-O 3.41Å; M318-K360 HydrophobicContact CE-CB 3.84Å; M318-K360 HydrophobicContact CE-CD 4.21Å; M318-K360 HydrophobicContact SD-CB 4.03Å; M318-V361 HydrophobicContact SD-CG2 3.84Å
319N89.1Confident88.5Confident91 Ų9157.4 Ų57.449%0.48729%0.292SS..SBendtrans-85.42176.665.60.8000113.6K359 K360 I362N319-K359 PolarHBondContact ND2-O 3.21Å; N319-K360 PolarHBondContact N-O 3.24Å; N319-K360 WeakPolarHBondContact OD1-CA 3.49Å; N319-K360 PolarHBondContact OD1-O 3.46Å; N319-K360 VanDerWaalsContact OD1-O 3.05Å; N319-I362 HydrophobicContact CB-CD1 4.41Å
320K87.6Confident87.9Confident100 Ų10058.1 Ų58.144%0.43530%0.3SS..SBendtrans-151.2155.2179.567.8175.4-164.1162.50110.5M318 K360M318-K320 VanDerWaalsContact C-N 3.25Å; M318-K320 PolarHBondContact O-N 3.23Å; K320-K360 HydrophobicContact CD-CG 4.49Å; K320-K360 VanDerWaalsContact CE-CD 3.49Å
321E88.4Confident87.4Confident99 Ų9958.3 Ų58.346%0.46330%0.304SS..  trans-67.2147.5171-53.2-168.3150.600111.1A131 N132 T163A131-E321 WeakPolarHBondContact O-CA 2.72Å; N132-E321 HydrophobicContact CB-CB 4.31Å; N132-E321 HydrophobicContact CB-CG 3.93Å; N132-E321 PolarHBondContact ND2-OE1 2.71Å; T163-E321 WeakPolarHBondContact CG2-OE2 3.31Å
322I89Confident87.4Confident2 Ų258.1 Ų58.11%0.0130%0.302CS..  trans-86.3118.7171.3-69.7165.4000108.7L63 E66 L67 A131 V133 M318 L324L63-I322 HydrophobicContact CD2-CG2 3.82Å; E66-I322 HydrophobicContact CB-CD1 3.76Å; E66-I322 HydrophobicContact CB-CG1 4.06Å; E66-I322 HydrophobicContact CB-CG2 4.23Å; E66-I322 HydrophobicContact CG-CG1 4.49Å; E66-I322 HydrophobicContact CG-CG2 4.07Å; L67-I322 HydrophobicContact CD2-CD1 3.55Å; L67-I322 HydrophobicContact CG-CD1 4.02Å; A131-I322 HydrophobicContact CB-CD1 3.67Å; A131-I322 HydrophobicContact CB-CG1 3.93Å; A131-I322 PolarHBondContact O-N 3.13Å; A131-I322 VanDerWaalsContact O-N 3.07Å; V133-I322 HydrophobicContact CG2-CB 4.08Å; V133-I322 HydrophobicContact CG2-CD1 4.18Å; M318-I322 HydrophobicContact CE-CD1 4.17Å; M318-I322 HydrophobicContact CE-CG1 4Å; I322-L324 HydrophobicContact CG2-CD2 4.03Å
323S86.1Confident87.7Confident107 Ų10758.5 Ų58.575%0.74831%0.305SS*.  trans-110.8128.2166-1760000108.8
324L88.7Confident87.9Confident21 Ų2150.8 Ų50.811%0.1128%0.278CS..  trans-77.7149.9178.6-60.5-170.9000110.3Y58 R59 M62 L63 I322 L326 D328Y58-L324 HydrophobicContact CE1-CB 4.45Å; Y58-L324 HydrophobicContact CE1-CD1 4.37Å; R59-L324 HydrophobicContact CB-CD1 4.42Å; R59-L324 HydrophobicContact CG-CD1 3.98Å; M62-L324 HydrophobicContact CB-CD2 3.8Å; L63-L324 HydrophobicContact CD2-CD2 3.85Å; L63-L324 HydrophobicContact CG-CD2 4.12Å; I322-L324 HydrophobicContact CG2-CD2 4.03Å; L324-L326 WeakPolarHBondContact CB-O 3.21Å; L324-L326 PolarHBondContact O-N 3.32Å; L324-D328 HydrophobicContact CD1-CB 4.19Å
325P87.5Confident88.1Confident89 Ų8950.1 Ų50.158%0.57828%0.282SS*.SBendtrans-58.2-33.5179.4-25.231.7000114.4Y58 M62Y58-P325 WeakPolarHBondContact OH-CB 3.26Å; Y58-P325 VanDerWaalsContact OH-CD 3.31Å; Y58-P325 WeakPolarHBondContact OH-CD 3.42Å; M62-P325 HydrophobicContact SD-CG 4.37Å
326L89.3Confident88.2Confident29 Ų2952.8 Ų52.815%0.15230%0.298CS..SBendtrans-102.3139.3169.2-60176000108.5Y58 L324 D328 L332 V336 Y337 K340Y58-L326 HydrophobicContact CD1-CD1 4.47Å; Y58-L326 HydrophobicContact CD2-CD1 4.24Å; Y58-L326 HydrophobicContact CE1-CB 3.74Å; Y58-L326 HydrophobicContact CE1-CD1 4.03Å; Y58-L326 HydrophobicContact CE1-CG 4.15Å; Y58-L326 HydrophobicContact CE2-CD1 3.78Å; Y58-L326 HydrophobicContact CE2-CG 4.2Å; Y58-L326 WeakPolarHBondContact OH-CG 3.22Å; Y58-L326 PolarHBondContact OH-N 3.33Å; L324-L326 WeakPolarHBondContact CB-O 3.21Å; L324-L326 PolarHBondContact O-N 3.32Å; L326-D328 PolarHBondContact O-N 3.28Å; L326-L332 HydrophobicContact CB-CD1 3.97Å; L326-L332 HydrophobicContact CD1-CD1 4.28Å; L326-L332 HydrophobicContact CD2-CD1 4.23Å; L326-L332 HydrophobicContact CG-CD1 4.39Å; L326-V336 HydrophobicContact CD1-CG1 3.87Å; L326-V336 HydrophobicContact CD2-CG1 3.91Å; L326-Y337 HydrophobicContact CD1-CD1 3.68Å; L326-Y337 HydrophobicContact CD1-CE1 4.01Å; L326-K340 HydrophobicContact CD1-CB 3.91Å; L326-K340 HydrophobicContact CD1-CG 4.12Å; L326-K340 HydrophobicContact CG-CG 4.23Å
327D82.5Confident88.2Confident87 Ų8751.2 Ų51.247%0.46529%0.29SS..  trans-61.1122.6175.5-1763000110.1G329 V330D327-G329 WeakPolarHBondContact OD1-CA 3.46Å; D327-G329 PolarHBondContact OD1-N 3.11Å; D327-V330 HydrophobicContact CB-CG2 3.85Å
328D80.7Confident88.1Confident17 Ų1754 Ų549%0.09130%0.299CS..SBendtrans-89.4-9.6-178.7-164.149.7000112.8Q55 R59 R160 L324 L326 V330Q55-D328 PolarHBondContact NE2-O 3.47Å; Q55-D328 VanDerWaalsContact NE2-O 3.09Å; Q55-D328 PolarHBondContact NE2-OD1 3.4Å; R59-D328 IonicContact CZ-OD1 3.56Å; R59-D328 VanDerWaalsContact CZ-OD1 3.24Å; R59-D328 IonicContact CZ-OD2 3.16Å; R59-D328 IonicContact NE-OD1 2.94Å; R59-D328 PolarHBondContact NE-OD1 3.32Å; R59-D328 IonicContact NE-OD2 3.51Å; R59-D328 PolarHBondContact NE-OD2 3.05Å; R59-D328 IonicContact NH2-OD1 2.66Å; R59-D328 PolarHBondContact NH2-OD1 3.21Å; R59-D328 IonicContact NH2-OD2 3.36Å; R59-D328 PolarHBondContact NH2-OD2 2.88Å; R160-D328 WeakPolarHBondContact CD-OD2 3.3Å; R160-D328 VanDerWaalsContact CZ-O 3.29Å; R160-D328 IonicContact CZ-OD2 2.8Å; R160-D328 IonicContact NE-OD2 2.81Å; R160-D328 PolarHBondContact NH1-O 3.17Å; R160-D328 IonicContact NH1-OD2 3Å; R160-D328 PolarHBondContact NH2-O 3.49Å; L324-D328 HydrophobicContact CD1-CB 4.19Å; L326-D328 PolarHBondContact O-N 3.28Å; D328-V330 VanDerWaalsContact C-N 3.31Å
329G76.1Confident88.2Confident5 Ų558.4 Ų58.45%0.05232%0.323CS..SBendtrans-75.9-18173.800000113.6D327D327-G329 WeakPolarHBondContact OD1-CA 3.46Å; D327-G329 PolarHBondContact OD1-N 3.11Å
330V81.5Confident88.4Confident63 Ų6356.7 Ų56.738%0.38231%0.311SS..SBendtrans-115.5140.4177.9-64.90000111.2Q55 D327 D328 L332 Y337Q55-V330 PolarHBondContact NE2-O 2.91Å; D327-V330 HydrophobicContact CB-CG2 3.85Å; D328-V330 VanDerWaalsContact C-N 3.31Å; V330-L332 HydrophobicContact CG2-CD2 3.68Å; V330-L332 HydrophobicContact CG2-CG 4.08Å; V330-L332 PolarHBondContact O-N 3.23Å; V330-Y337 PolarHBondContact O-OH 3.36Å
331Q84.8Confident88.7Confident81 Ų8151.9 Ų51.938%0.37929%0.29SS..  trans-82109.2171.6-166174.852.900109.7Q51 T52Q51-Q331 VanDerWaalsContact CB-CD 3.49Å; Q51-Q331 HydrophobicContact CB-CG 3.63Å; T52-Q331 PolarHBondContact OG1-NE2 2.97Å
332L90Very high88.9Confident47 Ų4748.4 Ų48.425%0.24627%0.273CS..  trans-89.9168.9179.4-56.9174000111.6Q51 L326 V330 V336 Y337Q51-L332 PolarHBondContact OE1-O 3.5Å; L326-L332 HydrophobicContact CB-CD1 3.97Å; L326-L332 HydrophobicContact CD1-CD1 4.28Å; L326-L332 HydrophobicContact CD2-CD1 4.23Å; L326-L332 HydrophobicContact CG-CD1 4.39Å; V330-L332 HydrophobicContact CG2-CD2 3.68Å; V330-L332 HydrophobicContact CG2-CG 4.08Å; V330-L332 PolarHBondContact O-N 3.23Å; L332-V336 HydrophobicContact CB-CB 4.38Å; L332-V336 HydrophobicContact CB-CG1 4.36Å; L332-V336 HydrophobicContact CD1-CG1 3.91Å; L332-Y337 HydrophobicContact CB-CD2 4.5Å; L332-Y337 HydrophobicContact CB-CE1 4.35Å; L332-Y337 HydrophobicContact CB-CE2 3.79Å; L332-Y337 HydrophobicContact CD1-CE1 4.29Å; L332-Y337 PolarHBondContact N-OH 3.48Å; L332-Y337 VanDerWaalsContact N-OH 3.08Å; L332-Y337 WeakPolarHBondContact O-CE2 3.31Å
333S92.9Very high89.1Confident53 Ų5352.4 Ų52.437%0.37129%0.291SS..  trans-65.6151.317573.40000111.8S335 V336 Y337S333-S335 PolarHBondContact O-N 3.03Å; S333-S335 PolarHBondContact OG-OG 2.79Å; S333-S335 VanDerWaalsContact OG-OG 3.11Å; S333-V336 PolarHBondContact O-N 2.99Å; S333-V336 VanDerWaalsContact O-N 3.09Å; S333-V336 VanDerWaalsContact OG-CG2 3.31Å; S333-V336 WeakPolarHBondContact OG-CG2 3.28Å; S333-Y337 PolarHBondContact O-N 2.8Å
334I91.7Very high89.4Confident42 Ų4249.5 Ų49.522%0.21527%0.265CS..Hα-helixtrans-55.8-39179-63.5169.1000111.4F48 Q51 A54 V336 Y337 R338F48-I334 HydrophobicContact CB-CG2 3.63Å; F48-I334 HydrophobicContact CD1-CG2 4.27Å; F48-I334 HydrophobicContact CG-CG2 4.38Å; F48-I334 WeakPolarHBondContact O-CG2 3.48Å; Q51-I334 HydrophobicContact CG-CG1 3.9Å; A54-I334 HydrophobicContact CB-CG2 4.48Å; I334-V336 VanDerWaalsContact C-N 3.32Å; I334-V336 PolarHBondContact O-N 3.07Å; I334-Y337 PolarHBondContact O-N 2.81Å; I334-R338 WeakPolarHBondContact O-CB 3.3Å; I334-R338 PolarHBondContact O-N 3.46Å
335S91.8Very high89.6Confident62 Ų6249.8 Ų49.843%0.43427%0.267SS..Hα-helixtrans-64.7-35-179.653.40000112.5S333 R338 N339S333-S335 PolarHBondContact O-N 3.03Å; S333-S335 PolarHBondContact OG-OG 2.79Å; S333-S335 VanDerWaalsContact OG-OG 3.11Å; S335-R338 PolarHBondContact O-N 2.95Å; S335-N339 VanDerWaalsContact O-CB 3.28Å; S335-N339 WeakPolarHBondContact O-CB 3.37Å; S335-N339 PolarHBondContact O-N 3.42Å; S335-N339 PolarHBondContact O-ND2 3.36Å; S335-N339 PolarHBondContact O-OD1 2.82Å
336V94.1Very high89.8Confident55 Ų5552.5 Ų52.533%0.33327%0.272SS..Hα-helixtrans-65.4-48.7177.4172.80000110.7L326 L332 S333 I334 R338 K340L326-V336 HydrophobicContact CD1-CG1 3.87Å; L326-V336 HydrophobicContact CD2-CG1 3.91Å; L332-V336 HydrophobicContact CB-CB 4.38Å; L332-V336 HydrophobicContact CB-CG1 4.36Å; L332-V336 HydrophobicContact CD1-CG1 3.91Å; S333-V336 PolarHBondContact O-N 2.99Å; S333-V336 VanDerWaalsContact O-N 3.09Å; S333-V336 VanDerWaalsContact OG-CG2 3.31Å; S333-V336 WeakPolarHBondContact OG-CG2 3.28Å; I334-V336 VanDerWaalsContact C-N 3.32Å; I334-V336 PolarHBondContact O-N 3.07Å; V336-R338 PolarHBondContact O-N 3.4Å; V336-K340 WeakPolarHBondContact O-CB 3.49Å; V336-K340 PolarHBondContact O-N 2.97Å; V336-K340 VanDerWaalsContact O-N 3.07Å
337Y93.5Very high89.8Confident1 Ų156.3 Ų56.30%0.00429%0.288CS..Hα-helixtrans-61.7-44175.8-66.3-58.3000112A54 Q55 Y58 L326 V330 L332 S333 I334 K340 L341A54-Y337 HydrophobicContact CB-CD2 3.86Å; A54-Y337 HydrophobicContact CB-CG 4.31Å; Q55-Y337 HydrophobicContact CB-CD2 4.4Å; Q55-Y337 HydrophobicContact CB-CE1 4.24Å; Q55-Y337 HydrophobicContact CB-CE2 3.73Å; Q55-Y337 HydrophobicContact CG-CE1 4.03Å; Q55-Y337 HydrophobicContact CG-CE2 4.2Å; Q55-Y337 WeakPolarHBondContact CG-OH 3.32Å; Y58-Y337 AromaticContact CD1-CD1 3.81Å; Y58-Y337 HydrophobicContact CD1-CD1 3.81Å; Y58-Y337 AromaticContact CD1-CE1 3.94Å; Y58-Y337 HydrophobicContact CD1-CE1 3.94Å; Y58-Y337 HydrophobicContact CD2-CD1 4.26Å; Y58-Y337 AromaticContact CG-CD1 3.65Å; Y58-Y337 HydrophobicContact CG-CD1 3.65Å; Y58-Y337 HydrophobicContact CG-CE1 4.25Å; L326-Y337 HydrophobicContact CD1-CD1 3.68Å; L326-Y337 HydrophobicContact CD1-CE1 4.01Å; V330-Y337 PolarHBondContact O-OH 3.36Å; L332-Y337 HydrophobicContact CB-CD2 4.5Å; L332-Y337 HydrophobicContact CB-CE1 4.35Å; L332-Y337 HydrophobicContact CB-CE2 3.79Å; L332-Y337 HydrophobicContact CD1-CE1 4.29Å; L332-Y337 PolarHBondContact N-OH 3.48Å; L332-Y337 VanDerWaalsContact N-OH 3.08Å; L332-Y337 WeakPolarHBondContact O-CE2 3.31Å; S333-Y337 PolarHBondContact O-N 2.8Å; I334-Y337 PolarHBondContact O-N 2.81Å; Y337-K340 PolarHBondContact O-N 2.88Å; Y337-L341 WeakPolarHBondContact O-CG 3.37Å; Y337-L341 PolarHBondContact O-N 3.07Å
338R93Very high90Very high73 Ų7353.5 Ų53.528%0.27527%0.273SS..Hα-helixtrans-59.8-52178.5-174.9-175.8-60.1164.73.4112F48 I334 S335 V336 K340 L341 Y342F48-R338 HydrophobicContact CD1-CB 3.8Å; F48-R338 HydrophobicContact CD1-CG 4.23Å; F48-R338 HydrophobicContact CD2-CG 4.27Å; F48-R338 VanDerWaalsContact CE1-CA 3.41Å; F48-R338 HydrophobicContact CE1-CB 3.57Å; F48-R338 HydrophobicContact CE1-CG 3.9Å; F48-R338 HydrophobicContact CE2-CB 4.49Å; F48-R338 HydrophobicContact CE2-CG 3.92Å; F48-R338 HydrophobicContact CG-CB 4.36Å; F48-R338 HydrophobicContact CG-CG 4.39Å; F48-R338 HydrophobicContact CZ-CB 3.92Å; F48-R338 HydrophobicContact CZ-CG 3.71Å; I334-R338 WeakPolarHBondContact O-CB 3.3Å; I334-R338 PolarHBondContact O-N 3.46Å; S335-R338 PolarHBondContact O-N 2.95Å; V336-R338 PolarHBondContact O-N 3.4Å; R338-K340 VanDerWaalsContact C-N 3.27Å; R338-K340 PolarHBondContact O-N 3.43Å; R338-L341 PolarHBondContact O-N 3.22Å; R338-Y342 HydrophobicContact CG-CD2 4.05Å; R338-Y342 HydrophobicContact CG-CE1 4.1Å; R338-Y342 HydrophobicContact CG-CE2 3.58Å; R338-Y342 HydrophobicContact CG-CG 4.49Å; R338-Y342 PolarHBondContact O-N 3.09Å
339N93.5Very high90Very high102 Ų10258.7 Ų58.755%0.54530%0.3SS..Hα-helixtrans-60.5-41.2-178.7-69-6.4000110.7S335 L341 Y342 E343S335-N339 VanDerWaalsContact O-CB 3.28Å; S335-N339 WeakPolarHBondContact O-CB 3.37Å; S335-N339 PolarHBondContact O-N 3.42Å; S335-N339 PolarHBondContact O-ND2 3.36Å; S335-N339 PolarHBondContact O-OD1 2.82Å; N339-L341 PolarHBondContact O-N 3.44Å; N339-Y342 PolarHBondContact O-N 3.41Å; N339-E343 WeakPolarHBondContact O-CB 3.31Å; N339-E343 PolarHBondContact O-N 3.2Å
340K93.9Very high90Very high55 Ų5560.4 Ų60.424%0.23931%0.312CS..Hα-helixtrans-67.6-36.7179-165.459.2178.5174.50113.1Y58 L326 V336 Y337 R338 E343 F344Y58-K340 HydrophobicContact CE2-CB 4.07Å; Y58-K340 HydrophobicContact CE2-CG 3.69Å; L326-K340 HydrophobicContact CD1-CB 3.91Å; L326-K340 HydrophobicContact CD1-CG 4.12Å; L326-K340 HydrophobicContact CG-CG 4.23Å; V336-K340 WeakPolarHBondContact O-CB 3.49Å; V336-K340 PolarHBondContact O-N 2.97Å; V336-K340 VanDerWaalsContact O-N 3.07Å; Y337-K340 PolarHBondContact O-N 2.88Å; R338-K340 VanDerWaalsContact C-N 3.27Å; R338-K340 PolarHBondContact O-N 3.43Å; K340-E343 VanDerWaalsContact CD-OE2 3.23Å; K340-E343 WeakPolarHBondContact CD-OE2 3.18Å; K340-E343 IonicContact NZ-OE1 2.85Å; K340-E343 PolarHBondContact NZ-OE1 2.9Å; K340-E343 IonicContact NZ-OE2 2.82Å; K340-E343 PolarHBondContact NZ-OE2 3.49Å; K340-F344 WeakPolarHBondContact O-CB 3.41Å; K340-F344 PolarHBondContact O-N 3.27Å
341L93.8Very high88.9Confident0 Ų062.7 Ų62.70%033%0.328CS..Hα-helixtrans-68.3-37.2174-73.9-179.9000112.3F48 T57 Y58 I61 M62 I88 Y337 R338 N339 F344 I345F48-L341 HydrophobicContact CE1-CD1 4.07Å; F48-L341 HydrophobicContact CZ-CD1 4.16Å; T57-L341 HydrophobicContact CG2-CD1 4.33Å; Y58-L341 HydrophobicContact CD2-CD2 3.9Å; Y58-L341 HydrophobicContact CD2-CG 4.03Å; I61-L341 HydrophobicContact CB-CD2 4.17Å; I61-L341 HydrophobicContact CD1-CD1 4.05Å; I61-L341 HydrophobicContact CD1-CD2 3.62Å; I61-L341 HydrophobicContact CD1-CG 4.47Å; I61-L341 HydrophobicContact CG2-CD2 4.17Å; M62-L341 HydrophobicContact CE-CD2 4.04Å; I88-L341 HydrophobicContact CD1-CD1 3.56Å; Y337-L341 WeakPolarHBondContact O-CG 3.37Å; Y337-L341 PolarHBondContact O-N 3.07Å; R338-L341 PolarHBondContact O-N 3.22Å; N339-L341 PolarHBondContact O-N 3.44Å; L341-F344 WeakPolarHBondContact O-CB 3.38Å; L341-F344 PolarHBondContact O-N 2.98Å; L341-I345 WeakPolarHBondContact O-CG1 3.21Å; L341-I345 PolarHBondContact O-N 3.19Å
342Y93Very high87.6Confident26 Ų2662.6 Ų62.610%0.10234%0.341CS..Hα-helixtrans-70.2-42.4177.5-69.4-1.4000111.8F48 K81 D85 R338 N339 F344 I345 E346F48-Y342 HydrophobicContact CE2-CE1 4.1Å; F48-Y342 HydrophobicContact CZ-CE1 4.13Å; K81-Y342 HydrophobicContact CD-CD1 4.21Å; K81-Y342 HydrophobicContact CD-CD2 4.36Å; K81-Y342 HydrophobicContact CD-CE1 3.83Å; K81-Y342 HydrophobicContact CD-CE2 4Å; K81-Y342 HydrophobicContact CD-CG 4.47Å; K81-Y342 VanDerWaalsContact CE-CE2 3.5Å; K81-Y342 VanDerWaalsContact CE-CZ 3.4Å; K81-Y342 WeakPolarHBondContact CE-OH 3.46Å; K81-Y342 HydrophobicContact CG-CE1 3.88Å; D85-Y342 WeakPolarHBondContact CA-OH 3.45Å; D85-Y342 HydrophobicContact CB-CE2 4.48Å; D85-Y342 VanDerWaalsContact CB-OH 3.31Å; D85-Y342 WeakPolarHBondContact CB-OH 3.48Å; D85-Y342 PolarHBondContact O-OH 3.11Å; R338-Y342 HydrophobicContact CG-CD2 4.05Å; R338-Y342 HydrophobicContact CG-CE1 4.1Å; R338-Y342 HydrophobicContact CG-CE2 3.58Å; R338-Y342 HydrophobicContact CG-CG 4.49Å; R338-Y342 PolarHBondContact O-N 3.09Å; N339-Y342 PolarHBondContact O-N 3.41Å; Y342-F344 VanDerWaalsContact C-N 3.27Å; Y342-F344 PolarHBondContact O-N 3.35Å; Y342-I345 HydrophobicContact CD1-CD1 4.12Å; Y342-I345 PolarHBondContact O-N 3.23Å; Y342-I345 VanDerWaalsContact O-N 3.08Å; Y342-E346 WeakPolarHBondContact O-CG 3.41Å; Y342-E346 PolarHBondContact O-N 3.11Å
343E93.1Very high86.1Confident85 Ų8563 Ų6340%0.39735%0.348SS..Hα-helixtrans-55.3-43.8170.2-174.5-162.3147.400111.1N339 K340 E346 H347N339-E343 WeakPolarHBondContact O-CB 3.31Å; N339-E343 PolarHBondContact O-N 3.2Å; K340-E343 VanDerWaalsContact CD-OE2 3.23Å; K340-E343 WeakPolarHBondContact CD-OE2 3.18Å; K340-E343 IonicContact NZ-OE1 2.85Å; K340-E343 PolarHBondContact NZ-OE1 2.9Å; K340-E343 IonicContact NZ-OE2 2.82Å; K340-E343 PolarHBondContact NZ-OE2 3.49Å; E343-E346 PolarHBondContact O-N 3.35Å; E343-H347 PolarHBondContact O-CD2 2.68Å; E343-H347 PolarHBondContact O-N 2.88Å
344F92.4Very high84.2Confident46 Ų4664 Ų6420%0.20236%0.355CS..Hα-helixtrans-60.9-45.6174.7171.8-92.5000112.2I61 M62 Q65 V79 K340 L341 Y342 E346 H347 Q348I61-F344 HydrophobicContact CG2-CD1 4.27Å; I61-F344 HydrophobicContact CG2-CE1 4.06Å; M62-F344 HydrophobicContact CE-CB 4.12Å; M62-F344 HydrophobicContact CE-CD1 4.19Å; M62-F344 HydrophobicContact CE-CD2 3.73Å; M62-F344 HydrophobicContact CE-CE2 4.25Å; M62-F344 HydrophobicContact CE-CG 3.71Å; Q65-F344 HydrophobicContact CG-CE2 3.71Å; Q65-F344 HydrophobicContact CG-CZ 3.62Å; V79-F344 HydrophobicContact CB-CE1 4.09Å; V79-F344 HydrophobicContact CG2-CD1 4.43Å; V79-F344 HydrophobicContact CG2-CE1 3.71Å; K340-F344 WeakPolarHBondContact O-CB 3.41Å; K340-F344 PolarHBondContact O-N 3.27Å; L341-F344 WeakPolarHBondContact O-CB 3.38Å; L341-F344 PolarHBondContact O-N 2.98Å; Y342-F344 VanDerWaalsContact C-N 3.27Å; Y342-F344 PolarHBondContact O-N 3.35Å; F344-E346 VanDerWaalsContact C-N 3.32Å; F344-E346 PolarHBondContact O-N 3.05Å; F344-H347 PolarHBondContact O-N 2.98Å; F344-Q348 HydrophobicContact CE1-CB 4.33Å; F344-Q348 HydrophobicContact CZ-CB 4.34Å; F344-Q348 PolarHBondContact O-N 3.08Å
345I92.7Very high82.3Confident27 Ų2770.3 Ų70.314%0.13838%0.381CS..Hα-helixtrans-61.9-39.3-179.9-72.3165.9000111.3V79 K81 L341 Y342 H347 Q348V79-I345 HydrophobicContact CB-CG1 4.03Å; V79-I345 HydrophobicContact CG1-CD1 3.76Å; V79-I345 HydrophobicContact CG1-CG1 3.68Å; K81-I345 HydrophobicContact CB-CD1 4.26Å; L341-I345 WeakPolarHBondContact O-CG1 3.21Å; L341-I345 PolarHBondContact O-N 3.19Å; Y342-I345 HydrophobicContact CD1-CD1 4.12Å; Y342-I345 PolarHBondContact O-N 3.23Å; Y342-I345 VanDerWaalsContact O-N 3.08Å; I345-H347 VanDerWaalsContact C-N 3.32Å; I345-H347 PolarHBondContact O-N 3.24Å; I345-Q348 WeakPolarHBondContact O-CG 3.44Å; I345-Q348 PolarHBondContact O-NE2 2.84Å
346E91.3Very high80.4Confident147 Ų14769.7 Ų69.769%0.68738%0.384SS*.Hα-helixtrans-66-33178.2-72.9175.6-176.300112.6Y342 E343 F344Y342-E346 WeakPolarHBondContact O-CG 3.41Å; Y342-E346 PolarHBondContact O-N 3.11Å; E343-E346 PolarHBondContact O-N 3.35Å; F344-E346 VanDerWaalsContact C-N 3.32Å; F344-E346 PolarHBondContact O-N 3.05Å
347H88.9Confident78.7Confident108 Ų10867.8 Ų67.850%0.537%0.372SS..Hα-helixtrans-98.4-7.4-177.2-66.5-50.4000115E343 F344 I345 D349 S350E343-H347 PolarHBondContact O-CD2 2.68Å; E343-H347 PolarHBondContact O-N 2.88Å; F344-H347 PolarHBondContact O-N 2.98Å; I345-H347 VanDerWaalsContact C-N 3.32Å; I345-H347 PolarHBondContact O-N 3.24Å; H347-D349 VanDerWaalsContact C-N 3.26Å; H347-D349 PolarHBondContact O-N 3.48Å; H347-S350 WeakPolarHBondContact O-CB 3.44Å; H347-S350 PolarHBondContact O-N 2.97Å; H347-S350 PolarHBondContact O-OG 2.87Å
348Q87.8Confident77.1Confident28 Ų2875 Ų7513%0.13141%0.405CS..THydrogen-bonded Turntrans-59.6-34.8-172.776.1-169.6-61.200113.5V79 F344 I345 S350 S353V79-Q348 PolarHBondContact O-NE2 3.3Å; V79-Q348 PolarHBondContact O-OE1 2.93Å; F344-Q348 HydrophobicContact CE1-CB 4.33Å; F344-Q348 HydrophobicContact CZ-CB 4.34Å; F344-Q348 PolarHBondContact O-N 3.08Å; I345-Q348 WeakPolarHBondContact O-CG 3.44Å; I345-Q348 PolarHBondContact O-NE2 2.84Å; Q348-S350 VanDerWaalsContact C-N 3.25Å; Q348-S350 PolarHBondContact O-N 3.24Å; Q348-S353 PolarHBondContact O-OG 3.35Å
349D80.2Confident75.6Confident126 Ų12680.6 Ų80.667%0.67443%0.432SS*.THydrogen-bonded Turntrans-82.30.5179.7-67.9-33.4000112.9H347H347-D349 VanDerWaalsContact C-N 3.26Å; H347-D349 PolarHBondContact O-N 3.48Å
350S77Confident74.6Confident42 Ų4277 Ų7729%0.29441%0.411SS..SBendtrans-73140.9179.3-58.50000112H347 Q348 A352 S353H347-S350 WeakPolarHBondContact O-CB 3.44Å; H347-S350 PolarHBondContact O-N 2.97Å; H347-S350 PolarHBondContact O-OG 2.87Å; Q348-S350 VanDerWaalsContact C-N 3.25Å; Q348-S350 PolarHBondContact O-N 3.24Å; S350-A352 PolarHBondContact O-N 3.43Å; S350-S353 WeakPolarHBondContact O-CB 3.44Å; S350-S353 PolarHBondContact O-N 2.95Å; S350-S353 PolarHBondContact O-OG 2.93Å
351P58.2Low73.8Confident110 Ų11075.8 Ų75.871%0.71441%0.409SS*.THydrogen-bonded Turntrans-55.7-26.8179.6-24.431.8000114.8S353 S354P351-S353 VanDerWaalsContact C-N 3.32Å; P351-S353 PolarHBondContact O-N 3.08Å; P351-S354 PolarHBondContact O-N 3.36Å
352A57.5Low73.2Confident80 Ų8080 Ų8066%0.66143%0.43SS*.Hα-helixtrans-65.6-30179.100000113.4S350 S354 K355S350-A352 PolarHBondContact O-N 3.43Å; A352-S354 PolarHBondContact O-N 3.04Å; A352-K355 PolarHBondContact O-N 2.92Å
353S57.1Low72.6Confident55 Ų5580.8 Ų80.839%0.38544%0.439SS..Hα-helixtrans-62.3-28-179.571.30000112.3R68 Q348 S350 P351R68-S353 PolarHBondContact NH2-O 3.43Å; Q348-S353 PolarHBondContact O-OG 3.35Å; S350-S353 WeakPolarHBondContact O-CB 3.44Å; S350-S353 PolarHBondContact O-N 2.95Å; S350-S353 PolarHBondContact O-OG 2.93Å; P351-S353 VanDerWaalsContact C-N 3.32Å; P351-S353 PolarHBondContact O-N 3.08Å
354S52.9Low71.6Confident74 Ų7476.9 Ų76.952%0.51742%0.421SS..Hα-helixtrans-79.8-32.8-174-66.40000113.8R68 P351 A352R68-S354 PolarHBondContact NH2-O 3.43Å; P351-S354 PolarHBondContact O-N 3.36Å; A352-S354 PolarHBondContact O-N 3.04Å
355K52.1Low69.7Low175 Ų17578.5 Ų78.576%0.76144%0.435SS*.Hα-helixtrans-90-23-167.7-67.6-175.6178.3-179.80115.2A352 N357A352-K355 PolarHBondContact O-N 2.92Å; K355-N357 PolarHBondContact O-N 3.29Å
356G52.9Low67.4Low49 Ų4981.3 Ų81.351%0.50545%0.45SS..SBendtrans-72.9-21.8-166.600000117.3
357N58.9Low65Low15 Ų1583.1 Ų83.18%0.0846%0.459CS..SBendtrans-95.1-19.2-167.6-77.21.9000115.5Q65 R68 L69 K355 K359 K360Q65-N357 PolarHBondContact O-ND2 2.94Å; R68-N357 PolarHBondContact NE-ND2 3.34Å; L69-N357 HydrophobicContact CD1-CB 3.87Å; L69-N357 WeakPolarHBondContact CD1-O 3.46Å; L69-N357 HydrophobicContact CG-CB 4.36Å; K355-N357 PolarHBondContact O-N 3.29Å; N357-K359 VanDerWaalsContact C-N 3.26Å; N357-K359 PolarHBondContact O-N 2.93Å; N357-K360 WeakPolarHBondContact O-CB 3.42Å; N357-K360 PolarHBondContact O-N 3.49Å; N357-K360 VanDerWaalsContact O-N 3.08Å; N357-K360 WeakPolarHBondContact OD1-CE 3.23Å; N357-K360 PolarHBondContact OD1-NZ 2.93Å
358Q59.9Low62.8Low151 Ų15182.4 Ų82.471%0.70646%0.462SS*.G310 helixtrans-63-29.7-172.7-73.3-177.9-12.100113.7K360Q358-K360 PolarHBondContact O-N 3Å
359K60.7Low60.7Low191 Ų19181.9 Ų81.983%0.8346%0.459SS*.G310 helixtrans-74.2-4.7178.8-65.2-172.4178.5-176.10114.3N319 N357N319-K359 PolarHBondContact ND2-O 3.21Å; N357-K359 VanDerWaalsContact C-N 3.26Å; N357-K359 PolarHBondContact O-N 2.93Å
360K72.2Confident58.5Low27 Ų2779.5 Ų79.512%0.11746%0.464CS..G310 helixtrans-91.7-15-175.4-58.1178.3-177.8174.70113.5E66 M318 N319 K320 N357 Q358E66-K360 IonicContact OE1-NZ 3.5Å; E66-K360 PolarHBondContact OE1-NZ 3.41Å; E66-K360 IonicContact OE2-NZ 2.71Å; E66-K360 PolarHBondContact OE2-NZ 3.26Å; M318-K360 WeakPolarHBondContact CA-O 3.41Å; M318-K360 HydrophobicContact CE-CB 3.84Å; M318-K360 HydrophobicContact CE-CD 4.21Å; M318-K360 HydrophobicContact SD-CB 4.03Å; N319-K360 PolarHBondContact N-O 3.24Å; N319-K360 WeakPolarHBondContact OD1-CA 3.49Å; N319-K360 PolarHBondContact OD1-O 3.46Å; N319-K360 VanDerWaalsContact OD1-O 3.05Å; K320-K360 HydrophobicContact CD-CG 4.49Å; K320-K360 VanDerWaalsContact CE-CD 3.49Å; N357-K360 WeakPolarHBondContact O-CB 3.42Å; N357-K360 PolarHBondContact O-N 3.49Å; N357-K360 VanDerWaalsContact O-N 3.08Å; N357-K360 WeakPolarHBondContact OD1-CE 3.23Å; N357-K360 PolarHBondContact OD1-NZ 2.93Å; Q358-K360 PolarHBondContact O-N 3Å
361V76.2Confident56.2Low30 Ų3085.8 Ų85.818%0.18249%0.489CS..EExtended strand (participates in β ladder)trans-115.4132.5-169.2-176.40000110.6L69 Y127 L316 T317 M318L69-V361 HydrophobicContact CB-CG2 3.92Å; L69-V361 HydrophobicContact CD1-CB 4.39Å; L69-V361 HydrophobicContact CD1-CG2 3.57Å; L69-V361 HydrophobicContact CG-CG2 4.36Å; Y127-V361 HydrophobicContact CE2-CG1 4.03Å; Y127-V361 HydrophobicContact CE2-CG2 3.92Å; Y127-V361 VanDerWaalsContact OH-CG2 3.29Å; Y127-V361 WeakPolarHBondContact OH-CG2 3.41Å; L316-V361 HydrophobicContact CB-CG1 3.94Å; L316-V361 HydrophobicContact CD1-CG1 4.16Å; L316-V361 HydrophobicContact CD2-CG1 4.37Å; L316-V361 HydrophobicContact CG-CG1 4.39Å; T317-V361 WeakPolarHBondContact O-CA 3.43Å; M318-V361 HydrophobicContact SD-CG2 3.84Å
362I82.6Confident54.9Low88 Ų8884.2 Ų84.245%0.45148%0.48SS..EExtended strand (participates in β ladder)trans-129.5155174.158.1174.9000109.7L316 T317 N319L316-I362 CarbonylContact C-O 3.31Å; L316-I362 WeakPolarHBondContact CA-O 3.14Å; T317-I362 PolarHBondContact N-O 3.2Å; T317-I362 PolarHBondContact O-N 3.07Å; T317-I362 WeakPolarHBondContact OG1-CG1 3.21Å; N319-I362 HydrophobicContact CB-CD1 4.41Å
363C79.1Confident53.9Low42 Ų4287.7 Ų87.728%0.28449%0.487SS..EExtended strand (participates in β ladder)trans-68.2138.8163.4-1740000108S312 T365S312-C363 PolarHBondContact O-SG 2.91Å; C363-T365 HydrophobicContact CB-CG2 4.47Å; C363-T365 PolarHBondContact O-N 2.98Å
364A73.5Confident52.7Low3 Ų389.6 Ų89.63%0.02550%0.5CS..  trans-65.482.3165.400000108Q315 T317 F369Q315-A364 HydrophobicContact CB-CB 4.01Å; Q315-A364 WeakPolarHBondContact O-CB 3.31Å; Q315-A364 PolarHBondContact O-N 3.4Å; T317-A364 HydrophobicContact CG2-CB 4.06Å; A364-F369 HydrophobicContact CB-CE2 4.19Å
365T52.2Low51.7Low81 Ų8192.2 Ų92.250%0.49751%0.508SS..  trans-67.8157.3169.156.60000108.3C363 H367 V368C363-T365 HydrophobicContact CB-CG2 4.47Å; C363-T365 PolarHBondContact O-N 2.98Å; T365-H367 PolarHBondContact O-N 2.96Å; T365-V368 PolarHBondContact O-N 3.2Å
366N43.6Very low50.9Low85 Ų8588.9 Ų88.946%0.45551%0.507SS..THydrogen-bonded Turntrans-54.71.2-176.4-66-18.7000115.1V368 F369N366-V368 VanDerWaalsContact C-N 3.3Å; N366-V368 PolarHBondContact O-N 3.45Å; N366-F369 CarbonylContact O-C 3.57Å; N366-F369 PolarHBondContact O-N 3.46Å
367H41.9Very low50Low186 Ų18694.8 Ų94.886%0.86152%0.519SS*.THydrogen-bonded Turntrans-68.5-25171.1-78.9-65.7000113.9T365 F369T365-H367 PolarHBondContact O-N 2.96Å; H367-F369 VanDerWaalsContact C-N 3.33Å
368V43Very low49.1Very low93 Ų93102.6 Ų102.656%0.56455%0.548SS*.SBendtrans-78.7-23.7171.2-176.80000111.3T365 N366T365-V368 PolarHBondContact O-N 3.2Å; N366-V368 VanDerWaalsContact C-N 3.3Å; N366-V368 PolarHBondContact O-N 3.45Å
369F43.9Very low47.6Very low17 Ų17107.2 Ų107.28%0.07556%0.559CS.*SBendtrans-121.187.1-173-59.5-74.2000109.6E298 Q302 A364 N366 H367 Q371E298-F369 HydrophobicContact CB-CE1 3.62Å; E298-F369 HydrophobicContact CB-CZ 3.97Å; E298-F369 HydrophobicContact CG-CE1 4.35Å; E298-F369 HydrophobicContact CG-CZ 4.31Å; Q302-F369 HydrophobicContact CG-CE1 4.41Å; A364-F369 HydrophobicContact CB-CE2 4.19Å; N366-F369 CarbonylContact O-C 3.57Å; N366-F369 PolarHBondContact O-N 3.46Å; H367-F369 VanDerWaalsContact C-N 3.33Å; F369-Q371 PolarHBondContact O-N 3.04Å; F369-Q371 VanDerWaalsContact O-N 3.13Å
370G33Very low46.1Very low75 Ų75100.4 Ų100.477%0.77354%0.543SS*.SBendtrans-43.8123.117500000111.8
371Q29.5Very low44.1Very low175 Ų175115.2 Ų115.282%0.81860%0.598SS**SBendtrans79.5131.9177.4-59.9-175-10.900118.4F369 L373F369-Q371 PolarHBondContact O-N 3.04Å; F369-Q371 VanDerWaalsContact O-N 3.13Å; Q371-L373 PolarHBondContact O-N 3.25Å
372S31.4Very low42.5Very low76 Ų76119.5 Ų119.553%0.53162%0.619SS.*  trans-69126.4169.966.20000110.1S374S372-S374 PolarHBondContact O-N 3.01Å; S372-S374 PolarHBondContact OG-OG 3.42Å
373L35.4Very low40.4Very low154 Ų154121.2 Ų121.281%0.80663%0.628SS**SBendtrans-71.468.3166.6-70.6163.7000110.1Q371Q371-L373 PolarHBondContact O-N 3.25Å
374S32.1Very low38.3Very low95 Ų95125.6 Ų125.666%0.66465%0.647SS**  trans-98.89159.655.40000111.8S372 S376S372-S374 PolarHBondContact O-N 3.01Å; S372-S374 PolarHBondContact OG-OG 3.42Å; S374-S376 PolarHBondContact O-N 3.21Å; S374-S376 VanDerWaalsContact O-N 3.08Å
375D31.2Very low36.2Very low129 Ų129132.8 Ų132.869%0.6968%0.684SS**  trans-71.1107.7176.1-95.8-12.8000111.4K377D375-K377 PolarHBondContact O-N 2.85Å
376S35.1Very low35.2Very low105 Ų105136 Ų13673%0.73470%0.696SS**G310 helixtrans-61.78-176.659.70000116S374 Y378S374-S376 PolarHBondContact O-N 3.21Å; S374-S376 VanDerWaalsContact O-N 3.08Å; S376-Y378 VanDerWaalsContact C-N 3.33Å; S376-Y378 PolarHBondContact O-N 2.82Å
377K34.6Very low34.6Very low173 Ų173139.4 Ų139.475%0.75271%0.712SS**G310 helixtrans-81.31.4-171.2-87-172.4178.2178.40116.7D375D375-K377 PolarHBondContact O-N 2.85Å
378Y39.9Very low34.1Very low178 Ų178136.1 Ų136.170%0.69870%0.701SS**G310 helixtrans-135.342.5179.7-58.4-77.1000113.2S376 G380S376-Y378 VanDerWaalsContact C-N 3.33Å; S376-Y378 PolarHBondContact O-N 2.82Å; Y378-G380 PolarHBondContact O-N 3Å
379R29.5Very low33.5Very low249 Ų249139.4 Ų139.494%0.9471%0.712SS**  trans-87.290.9157.2-81.8-168-179.4-156.51.6108.7
380G27.7Very low32.6Very low47 Ų47149.6 Ų149.649%0.48577%0.765SS.*  trans168.2135.4174.400000106.1Y378Y378-G380 PolarHBondContact O-N 3Å
381W31.5Very low32.5Very low339 Ų339156.4 Ų156.4100%1.28476%0.764SS**  trans89.70-173.9-43.2105.4000115

Retrieved 381 of 381 residues in 371 ms (Link to these results)

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