A0A077ZLT6_TRITR Loading...

Pkinase domain containing protein

AlphaFold DB , UniProt , Accession A0A077ZLT6, Species TRITR (Trichuris trichiura, Whipworm), Gene n/a, Length 164 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
1M72.3Confident86Confident186 Ų186108.9 Ų108.992%0.91652%0.52SS*.  0126.60-90.9-157.9-96.100108.6R3 Q38 D43M1-R3 PolarHBondContact O-N 3.12Å; M1-Q38 PolarHBondContact O-OE1 3.35Å; M1-D43 VanDerWaalsContact C-OD1 3.28Å; M1-D43 WeakPolarHBondContact CA-OD1 3.41Å
2A79.3Confident86.5Confident28 Ų28104.3 Ų104.323%0.23150%0.497CS..  trans-59.8136.5-179.400000110.7G39 D43A2-G39 WeakPolarHBondContact CB-O 3.44Å; A2-D43 WeakPolarHBondContact CB-OD2 3.31Å; A2-D43 VanDerWaalsContact N-CG 3.28Å; A2-D43 PolarHBondContact N-OD1 3.12Å; A2-D43 PolarHBondContact N-OD2 2.71Å
3R82Confident86.9Confident81 Ų81101.2 Ų101.231%0.30648%0.478SS..  trans-76.2161.3172.6-61.6-177.4-175.1-161.14.5109.1M1 Y5 R16 G20M1-R3 PolarHBondContact O-N 3.12Å; R3-Y5 PolarHBondContact O-N 3.35Å; R3-R16 VanDerWaalsContact NH1-CZ 3.3Å; R3-R16 VanDerWaalsContact NH1-NH1 3.17Å; R3-G20 PolarHBondContact NH2-O 3.5Å
4K87.3Confident87.2Confident157 Ų157109.2 Ų109.268%0.68350%0.501SS*.  trans-49.6111.6171.8-178.3175-178.5171.60110.5I6 R13K4-I6 WeakPolarHBondContact CE-O 3.29Å; K4-R13 PolarHBondContact O-NH1 3.17Å
5Y86.9Confident87.6Confident65 Ų65105.4 Ų105.426%0.25550%0.496SS..  trans-100.5-14.9-170.966.8-86.1000113R3 H12 R13 R40R3-Y5 PolarHBondContact O-N 3.35Å; Y5-H12 AromaticContact CD2-CD2 3.67Å; Y5-H12 AromaticContact CD2-NE2 3.53Å; Y5-H12 CarbonylContact O-C 3.56Å; Y5-H12 WeakPolarHBondContact O-CA 3.28Å; Y5-R13 PolarHBondContact O-N 3.29Å; Y5-R40 HydrophobicContact CD1-CG 4.05Å; Y5-R40 HydrophobicContact CE1-CG 3.83Å; Y5-R40 HydrophobicContact CE2-CG 4.43Å; Y5-R40 VanDerWaalsContact CE2-CZ 3.44Å; Y5-R40 VanDerWaalsContact CE2-NH1 3.3Å; Y5-R40 HydrophobicContact CG-CG 4.49Å; Y5-R40 VanDerWaalsContact CZ-CD 3.49Å; Y5-R40 PolarHBondContact OH-NH1 3.24Å
6I89Confident87.9Confident69 Ų69104.6 Ų104.635%0.35449%0.487SS..BIsolated β-bridgetrans-104.1130.4177.8-57.8-175.8000110.3K4K4-I6 WeakPolarHBondContact CE-O 3.29Å
7K89.2Confident88.1Confident99 Ų99108.2 Ų108.243%0.4351%0.51SS..  trans-76.1167.6170.6-71.4-177.9-179-175.40110.8D9 G10 R11K7-D9 WeakPolarHBondContact CB-OD1 3.49Å; K7-D9 PolarHBondContact O-N 2.78Å; K7-D9 VanDerWaalsContact O-N 3.08Å; K7-G10 PolarHBondContact O-N 3.35Å; K7-R11 PolarHBondContact N-O 3.3Å
8K91Very high88.3Confident211 Ų211108.2 Ų108.292%0.91752%0.518SS*.THydrogen-bonded Turntrans-58-25.2178.8-68.2-173.7178.8-177.40113.4G10K8-G10 VanDerWaalsContact C-N 3.32Å
9D91.7Very high88.5Confident80 Ų80102.7 Ų102.743%0.42849%0.493SS..THydrogen-bonded Turntrans-87.48.5179.362.98000114.1K7 R11K7-D9 WeakPolarHBondContact CB-OD1 3.49Å; K7-D9 PolarHBondContact O-N 2.78Å; K7-D9 VanDerWaalsContact O-N 3.08Å; D9-R11 PolarHBondContact O-N 3.12Å; D9-R11 WeakPolarHBondContact OD1-CB 3.44Å; D9-R11 PolarHBondContact OD1-N 3.28Å; D9-R11 IonicContact OD1-NE 2.74Å; D9-R11 IonicContact OD2-CZ 2.59Å; D9-R11 IonicContact OD2-NE 2.74Å; D9-R11 PolarHBondContact OD2-NE 2.89Å; D9-R11 IonicContact OD2-NH2 3.14Å; D9-R11 PolarHBondContact OD2-NH2 3.44Å
10G88.7Confident88.6Confident55 Ų5599.6 Ų99.657%0.56749%0.489SS*.SBendtrans80.7-7.8-179.300000115.1K7 K8K7-G10 PolarHBondContact O-N 3.35Å; K8-G10 VanDerWaalsContact C-N 3.32Å
11R89.1Confident88.9Confident167 Ų16796.6 Ų96.663%0.6347%0.474SS*.PPolyproline II helixtrans-77.9146.4-179.5-64.7-175-73.9-171.9-9.5111.8K7 D9 R13K7-R11 PolarHBondContact N-O 3.3Å; D9-R11 PolarHBondContact O-N 3.12Å; D9-R11 WeakPolarHBondContact OD1-CB 3.44Å; D9-R11 PolarHBondContact OD1-N 3.28Å; D9-R11 IonicContact OD1-NE 2.74Å; D9-R11 IonicContact OD2-CZ 2.59Å; D9-R11 IonicContact OD2-NE 2.74Å; D9-R11 PolarHBondContact OD2-NE 2.89Å; D9-R11 IonicContact OD2-NH2 3.14Å; D9-R11 PolarHBondContact OD2-NH2 3.44Å; R11-R13 PolarHBondContact O-N 3.26Å
12H91.4Very high89.6Confident53 Ų5397.6 Ų97.625%0.24547%0.467CS..BIsolated β-bridgetrans-63.5135.2171.3-156.1-78.1000109.8Y5 F114Y5-H12 AromaticContact CD2-CD2 3.67Å; Y5-H12 AromaticContact CD2-NE2 3.53Å; Y5-H12 CarbonylContact O-C 3.56Å; Y5-H12 WeakPolarHBondContact O-CA 3.28Å; H12-F114 AromaticContact CE1-CD1 3.72Å; H12-F114 AromaticContact CE1-CE1 3.3Å; H12-F114 WeakPolarHBondContact CE1-CE1 3.48Å; H12-F114 AromaticContact CE1-CZ 3.47Å; H12-F114 VanDerWaalsContact CE1-CZ 3.47Å; H12-F114 WeakPolarHBondContact CE1-CZ 3.27Å; H12-F114 AromaticContact ND1-CE1 3.58Å
13R91.7Very high90.1Very high65 Ų6599 Ų9925%0.24548%0.484CS..PPolyproline II helixtrans-63.8147.8171.6-166-179.570.6-150.94.2108.6K4 Y5 R11 E37 F114K4-R13 PolarHBondContact O-NH1 3.17Å; Y5-R13 PolarHBondContact O-N 3.29Å; R11-R13 PolarHBondContact O-N 3.26Å; R13-E37 IonicContact CZ-OE2 3.13Å; R13-E37 IonicContact NE-OE2 2.76Å; R13-E37 IonicContact NH2-OE1 2.76Å; R13-E37 PolarHBondContact NH2-OE1 3.16Å; R13-E37 VanDerWaalsContact NH2-OE1 3.14Å; R13-E37 IonicContact NH2-OE2 2.68Å; R13-E37 PolarHBondContact NH2-OE2 3.38Å; R13-F114 WeakPolarHBondContact O-CE1 3.44Å
14R91.6Very high90.7Very high213 Ų21399.7 Ų99.780%0.80450%0.498SS*.PPolyproline II helixtrans-69.6147.3168.2-66.8-176.5179.3168.9-1.8109.7
15A92.4Very high91.2Very high52 Ų5294.2 Ų94.243%0.4348%0.478SS..PPolyproline II helixtrans-64.3145168.800000109.2E37 F114A15-E37 HydrophobicContact CB-CB 3.83Å; A15-E37 HydrophobicContact CB-CG 4.27Å; A15-F114 HydrophobicContact CB-CD1 3.72Å; A15-F114 HydrophobicContact CB-CE1 3.79Å; A15-F114 HydrophobicContact CB-CG 4.28Å; A15-F114 HydrophobicContact CB-CZ 4.46Å
16R92.1Very high91.7Very high92 Ų9293.9 Ų93.935%0.34748%0.477SS..PPolyproline II helixtrans-82.7148.2164.9-69.1171.7-69.81409.9108.4R3 V18 A19 E37R3-R16 VanDerWaalsContact NH1-CZ 3.3Å; R3-R16 VanDerWaalsContact NH1-NH1 3.17Å; R16-V18 VanDerWaalsContact C-N 3.28Å; R16-V18 PolarHBondContact O-N 2.99Å; R16-A19 VanDerWaalsContact NH2-CB 3.26Å; R16-E37 IonicContact CZ-OE1 3.75Å; R16-E37 IonicContact CZ-OE2 3.19Å; R16-E37 IonicContact NE-OE1 3.92Å; R16-E37 IonicContact NE-OE2 2.84Å; R16-E37 PolarHBondContact NE-OE2 3.23Å; R16-E37 VanDerWaalsContact NH2-CD 3.29Å; R16-E37 IonicContact NH2-OE1 3.4Å; R16-E37 PolarHBondContact NH2-OE1 3.08Å; R16-E37 IonicContact NH2-OE2 3.76Å; R16-E37 PolarHBondContact NH2-OE2 2.94Å
17D91.4Very high92.1Very high166 Ų16693.6 Ų93.689%0.88847%0.472SS*.SBendtrans-62.8-40.1178-54.8-36.1000111.2
18V92.4Very high92.5Very high108 Ų10889.3 Ų89.366%0.65546%0.455SS*.  trans-128.7128.9174.3-176.30000109.9R16 M35R16-V18 VanDerWaalsContact C-N 3.28Å; R16-V18 PolarHBondContact O-N 2.99Å; V18-M35 HydrophobicContact CG1-CB 4.14Å
19A92.3Very high92.8Very high4 Ų479.4 Ų79.43%0.03341%0.412CS..  trans-126.8101.7176.700000109.3R16 F21 M35 E37R16-A19 VanDerWaalsContact NH2-CB 3.26Å; A19-F21 PolarHBondContact O-N 3.2Å; A19-M35 PolarHBondContact N-O 3.01Å; A19-M35 CarbonylContact O-C 3.52Å; A19-M35 WeakPolarHBondContact O-CA 3.41Å; A19-E37 HydrophobicContact CB-CB 4.47Å
20G91.3Very high93.1Very high41 Ų4175.7 Ų75.742%0.42339%0.393SS..  trans-50.5129.4176.200000112.3R3R3-G20 PolarHBondContact NH2-O 3.5Å
21F94.2Very high93.5Very high36 Ų3674.7 Ų74.716%0.15838%0.375CS..  trans-67.1133.3178.9178.8-104.1000110.8A19 G23 P25 A28 A32 L33 M35 L76A19-F21 PolarHBondContact O-N 3.2Å; F21-G23 VanDerWaalsContact CE1-O 3.23Å; F21-G23 WeakPolarHBondContact CE1-O 3.28Å; F21-P25 HydrophobicContact CE1-CB 4.43Å; F21-P25 HydrophobicContact CE1-CG 3.85Å; F21-P25 HydrophobicContact CZ-CG 4.33Å; F21-A28 HydrophobicContact CE2-CB 3.58Å; F21-A28 HydrophobicContact CZ-CB 3.86Å; F21-A32 HydrophobicContact CD2-CB 4.05Å; F21-A32 VanDerWaalsContact CD2-O 3.29Å; F21-A32 WeakPolarHBondContact CD2-O 3.36Å; F21-A32 HydrophobicContact CE2-CB 4.1Å; F21-L33 HydrophobicContact CE2-CD2 4.25Å; F21-L33 HydrophobicContact CZ-CD2 4.24Å; F21-M35 HydrophobicContact CB-CE 3.78Å; F21-M35 HydrophobicContact CB-SD 3.84Å; F21-M35 PolarHBondContact N-SD 3.39Å; F21-M35 VanDerWaalsContact N-SD 3.38Å; F21-L76 HydrophobicContact CB-CD1 4.2Å; F21-L76 HydrophobicContact CD1-CD1 3.82Å; F21-L76 HydrophobicContact CD1-CD2 4Å; F21-L76 HydrophobicContact CE1-CD2 4.1Å; F21-L76 HydrophobicContact CG-CD1 4.3Å
22R87.9Confident93.8Very high207 Ų20766.9 Ų66.978%0.78135%0.346SS*.  trans-140.8117.8170.1-65.4-173.7-178.9166.4-1.2107.5
23G89.4Confident94.1Very high57 Ų5764.4 Ų64.459%0.58834%0.335SS*.SBendtrans151.3-171.3179.500000112.4F21 P25F21-G23 VanDerWaalsContact CE1-O 3.23Å; F21-G23 WeakPolarHBondContact CE1-O 3.28Å; G23-P25 WeakPolarHBondContact O-CD 3.4Å
24T94.8Very high94.4Very high96 Ų9664.6 Ų64.659%0.58934%0.34SS*.  trans-83.8115.3175.3-53.80000109.3Y26 Y27T24-Y26 PolarHBondContact O-N 3.03Å; T24-Y27 HydrophobicContact CG2-CD2 4.45Å
25P96.4Very high94.6Very high43 Ų4356.2 Ų56.228%0.27931%0.311SS..G310 helixtrans-58.1-34.9-178.5-25.333.6000112.7F21 G23 Y27 A28 L33 L76 M79 R83F21-P25 HydrophobicContact CE1-CB 4.43Å; F21-P25 HydrophobicContact CE1-CG 3.85Å; F21-P25 HydrophobicContact CZ-CG 4.33Å; G23-P25 WeakPolarHBondContact O-CD 3.4Å; P25-Y27 VanDerWaalsContact C-N 3.31Å; P25-Y27 PolarHBondContact O-N 3.48Å; P25-A28 WeakPolarHBondContact O-CB 3.36Å; P25-A28 PolarHBondContact O-N 2.94Å; P25-A28 VanDerWaalsContact O-N 3.08Å; P25-L33 HydrophobicContact CB-CD2 4.05Å; P25-L76 HydrophobicContact CB-CD2 3.88Å; P25-L76 HydrophobicContact CG-CD2 3.73Å; P25-M79 HydrophobicContact CB-SD 3.78Å; P25-R83 PolarHBondContact O-NH1 3.03Å; P25-R83 PolarHBondContact O-NH2 3.18Å
26Y97.3Very high94.7Very high58 Ų5854.6 Ų54.623%0.22730%0.299CS..G310 helixtrans-56.3-36.2-170.5-171.9-100.8000115.1T24 E53 L59 W61 Q62 R83T24-Y26 PolarHBondContact O-N 3.03Å; Y26-E53 WeakPolarHBondContact CE1-OE1 3.35Å; Y26-E53 VanDerWaalsContact CZ-OE1 3.31Å; Y26-E53 PolarHBondContact OH-OE1 3.3Å; Y26-L59 HydrophobicContact CD1-CD1 4.34Å; Y26-L59 HydrophobicContact CE1-CD1 3.72Å; Y26-W61 PolarHBondContact O-NE1 3.16Å; Y26-Q62 HydrophobicContact CE2-CB 4.45Å; Y26-R83 PolarHBondContact O-NH2 3.09Å; Y26-R83 VanDerWaalsContact O-NH2 3.11Å
27Y97.7Very high94.9Very high63 Ų6350.5 Ų50.525%0.24728%0.284CS..G310 helixtrans-107.32.2177.3-52.6-71.2000113.7T24 P25 A46 F49 M50 E53 L59T24-Y27 HydrophobicContact CG2-CD2 4.45Å; P25-Y27 VanDerWaalsContact C-N 3.31Å; P25-Y27 PolarHBondContact O-N 3.48Å; Y27-A46 WeakPolarHBondContact O-CA 3.37Å; Y27-A46 VanDerWaalsContact O-CB 3.26Å; Y27-A46 WeakPolarHBondContact O-CB 3.3Å; Y27-F49 HydrophobicContact CD1-CB 4.35Å; Y27-F49 WeakPolarHBondContact O-CD2 3.29Å; Y27-M50 HydrophobicContact CD1-CG 3.69Å; Y27-M50 HydrophobicContact CD2-CG 4.39Å; Y27-M50 HydrophobicContact CE1-CG 3.83Å; Y27-M50 HydrophobicContact CG-CG 3.98Å; Y27-E53 WeakPolarHBondContact CE1-OE2 3.45Å; Y27-E53 VanDerWaalsContact CZ-OE2 3.28Å; Y27-E53 PolarHBondContact OH-OE2 3.32Å; Y27-L59 HydrophobicContact CD1-CD1 4.09Å; Y27-L59 HydrophobicContact CE1-CD1 4.12Å
28A97.8Very high95Very high9 Ų943.4 Ų43.47%0.07425%0.246CC..  trans-63.8146.7-175.900000112.3F21 P25 A32 L33 R83F21-A28 HydrophobicContact CE2-CB 3.58Å; F21-A28 HydrophobicContact CZ-CB 3.86Å; P25-A28 WeakPolarHBondContact O-CB 3.36Å; P25-A28 PolarHBondContact O-N 2.94Å; P25-A28 VanDerWaalsContact O-N 3.08Å; A28-A32 HydrophobicContact CB-CB 4.3Å; A28-L33 HydrophobicContact CB-CD1 4.32Å; A28-L33 HydrophobicContact CB-CD2 3.9Å; A28-L33 HydrophobicContact CB-CG 3.78Å; A28-R83 PolarHBondContact O-NH1 3.48Å
29S97.6Very high95.1Very high2 Ų238.3 Ų38.31%0.01421%0.214CC..  trans-64.5157.3169.467.80000110.8V31 A32 L33 D42S29-V31 PolarHBondContact O-N 2.84Å; S29-A32 PolarHBondContact O-N 2.93Å; S29-A32 VanDerWaalsContact O-N 3.16Å; S29-A32 WeakPolarHBondContact OG-CB 3.26Å; S29-A32 PolarHBondContact OG-N 3.44Å; S29-A32 VanDerWaalsContact OG-N 3.1Å; S29-L33 PolarHBondContact O-N 2.92Å; S29-D42 VanDerWaalsContact CB-OD1 3.27Å; S29-D42 WeakPolarHBondContact CB-OD1 3.33Å; S29-D42 PolarHBondContact OG-OD1 2.81Å
30P97.6Very high95.3Very high3 Ų339.8 Ų39.82%0.01922%0.219CC..Hα-helixtrans-54-43172.2-22.128.6000112.3A32 L33 L34 R83 Q84 I87P30-A32 VanDerWaalsContact C-N 3.32Å; P30-A32 PolarHBondContact O-N 2.59Å; P30-L33 PolarHBondContact O-N 3.24Å; P30-L33 VanDerWaalsContact O-N 3.16Å; P30-L34 WeakPolarHBondContact O-CB 3.46Å; P30-L34 WeakPolarHBondContact O-CG 3.46Å; P30-L34 PolarHBondContact O-N 3.16Å; P30-R83 HydrophobicContact CG-CB 3.9Å; P30-Q84 HydrophobicContact CB-CB 4.08Å; P30-I87 HydrophobicContact CG-CD1 3.57Å
31V96.6Very high95.5Very high34 Ų3439.4 Ų39.421%0.20621%0.205CC..Hα-helixtrans-58.5-44178.9173.30000111.1S29 L33 L34 G36 D42S29-V31 PolarHBondContact O-N 2.84Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-L33 PolarHBondContact O-N 3.48Å; V31-L34 PolarHBondContact O-N 3.26Å; V31-G36 VanDerWaalsContact O-CA 3.28Å; V31-G36 WeakPolarHBondContact O-CA 3.16Å; V31-G36 PolarHBondContact O-N 3.18Å; V31-D42 WeakPolarHBondContact CB-OD1 3.32Å
32A96.9Very high95.6Very high2 Ų237.9 Ų37.92%0.01720%0.198CC..Hα-helixtrans-64.5-39.9179.100000112.1F21 A28 S29 P30 M35 Q38F21-A32 HydrophobicContact CD2-CB 4.05Å; F21-A32 VanDerWaalsContact CD2-O 3.29Å; F21-A32 WeakPolarHBondContact CD2-O 3.36Å; F21-A32 HydrophobicContact CE2-CB 4.1Å; A28-A32 HydrophobicContact CB-CB 4.3Å; S29-A32 PolarHBondContact O-N 2.93Å; S29-A32 VanDerWaalsContact O-N 3.16Å; S29-A32 WeakPolarHBondContact OG-CB 3.26Å; S29-A32 PolarHBondContact OG-N 3.44Å; S29-A32 VanDerWaalsContact OG-N 3.1Å; P30-A32 VanDerWaalsContact C-N 3.32Å; P30-A32 PolarHBondContact O-N 2.59Å; A32-M35 PolarHBondContact O-N 3.3Å; A32-Q38 HydrophobicContact CB-CG 3.72Å
33L97.7Very high96Very high1 Ų130.7 Ų30.71%0.00518%0.176CC..Hα-helixtrans-71.6-32.8179.5-71.1175.8000113F21 P25 A28 S29 P30 V31 M35 L76 M79F21-L33 HydrophobicContact CE2-CD2 4.25Å; F21-L33 HydrophobicContact CZ-CD2 4.24Å; P25-L33 HydrophobicContact CB-CD2 4.05Å; A28-L33 HydrophobicContact CB-CD1 4.32Å; A28-L33 HydrophobicContact CB-CD2 3.9Å; A28-L33 HydrophobicContact CB-CG 3.78Å; S29-L33 PolarHBondContact O-N 2.92Å; P30-L33 PolarHBondContact O-N 3.24Å; P30-L33 VanDerWaalsContact O-N 3.16Å; V31-L33 VanDerWaalsContact C-N 3.34Å; V31-L33 PolarHBondContact O-N 3.48Å; L33-M35 PolarHBondContact O-N 2.91Å; L33-L76 HydrophobicContact CD2-CB 4.3Å; L33-L76 HydrophobicContact CD2-CD2 3.59Å; L33-M79 HydrophobicContact CD1-CB 3.72Å
34L97.4Very high96.4Very high70 Ų7029.1 Ų29.137%0.36615%0.154SC..THydrogen-bonded Turntrans-8524.6176-62.7171.1000112.9P30 V31 G36 A77 N81P30-L34 WeakPolarHBondContact O-CB 3.46Å; P30-L34 WeakPolarHBondContact O-CG 3.46Å; P30-L34 PolarHBondContact O-N 3.16Å; V31-L34 PolarHBondContact O-N 3.26Å; L34-G36 PolarHBondContact O-N 2.96Å; L34-G36 VanDerWaalsContact O-N 3.09Å; L34-A77 HydrophobicContact CD2-CB 4.33Å; L34-N81 WeakPolarHBondContact CD2-OD1 3.47Å
35M95.7Very high96.5Very high36 Ų3625.3 Ų25.318%0.17713%0.128CC..THydrogen-bonded Turntrans57.324178.1-53.7-62.5152.900114.6V18 A19 F21 A32 L33 L76V18-M35 HydrophobicContact CG1-CB 4.14Å; A19-M35 PolarHBondContact N-O 3.01Å; A19-M35 CarbonylContact O-C 3.52Å; A19-M35 WeakPolarHBondContact O-CA 3.41Å; F21-M35 HydrophobicContact CB-CE 3.78Å; F21-M35 HydrophobicContact CB-SD 3.84Å; F21-M35 PolarHBondContact N-SD 3.39Å; F21-M35 VanDerWaalsContact N-SD 3.38Å; A32-M35 PolarHBondContact O-N 3.3Å; L33-M35 PolarHBondContact O-N 2.91Å; M35-L76 HydrophobicContact CE-CB 4.24Å; M35-L76 HydrophobicContact CE-CD1 3.61Å
36G95.5Very high96.6Very high18 Ų1824.4 Ų24.419%0.18612%0.124CC..PPolyproline II helixtrans-79.5155.8174.600000112.5V31 L34 Q38V31-G36 VanDerWaalsContact O-CA 3.28Å; V31-G36 WeakPolarHBondContact O-CA 3.16Å; V31-G36 PolarHBondContact O-N 3.18Å; L34-G36 PolarHBondContact O-N 2.96Å; L34-G36 VanDerWaalsContact O-N 3.09Å; G36-Q38 PolarHBondContact O-N 2.98Å
37E94.7Very high96.6Very high7 Ų725 Ų253%0.03313%0.126CC..PPolyproline II helixtrans-66.8122.5175.9-175.274.3-94.300111.3R13 A15 R16 A19 G39 F114R13-E37 IonicContact CZ-OE2 3.13Å; R13-E37 IonicContact NE-OE2 2.76Å; R13-E37 IonicContact NH2-OE1 2.76Å; R13-E37 PolarHBondContact NH2-OE1 3.16Å; R13-E37 VanDerWaalsContact NH2-OE1 3.14Å; R13-E37 IonicContact NH2-OE2 2.68Å; R13-E37 PolarHBondContact NH2-OE2 3.38Å; A15-E37 HydrophobicContact CB-CB 3.83Å; A15-E37 HydrophobicContact CB-CG 4.27Å; R16-E37 IonicContact CZ-OE1 3.75Å; R16-E37 IonicContact CZ-OE2 3.19Å; R16-E37 IonicContact NE-OE1 3.92Å; R16-E37 IonicContact NE-OE2 2.84Å; R16-E37 PolarHBondContact NE-OE2 3.23Å; R16-E37 VanDerWaalsContact NH2-CD 3.29Å; R16-E37 IonicContact NH2-OE1 3.4Å; R16-E37 PolarHBondContact NH2-OE1 3.08Å; R16-E37 IonicContact NH2-OE2 3.76Å; R16-E37 PolarHBondContact NH2-OE2 2.94Å; A19-E37 HydrophobicContact CB-CB 4.47Å; E37-G39 PolarHBondContact O-N 3.5Å; E37-F114 HydrophobicContact CB-CD2 4.29Å; E37-F114 HydrophobicContact CB-CE2 4.11Å; E37-F114 HydrophobicContact CB-CZ 4.43Å; E37-F114 HydrophobicContact CG-CD2 3.95Å; E37-F114 HydrophobicContact CG-CE1 4.28Å; E37-F114 HydrophobicContact CG-CE2 3.28Å; E37-F114 HydrophobicContact CG-CZ 3.45Å; E37-F114 VanDerWaalsContact CG-CZ 3.45Å; E37-F114 WeakPolarHBondContact O-CD2 3.47Å
38Q94.8Very high96.6Very high17 Ų1722 Ų228%0.07911%0.114CC..PPolyproline II helixtrans-74.8122176-72.7175.759.300110.9M1 A32 G36 D42 F114M1-Q38 PolarHBondContact O-OE1 3.35Å; A32-Q38 HydrophobicContact CB-CG 3.72Å; G36-Q38 PolarHBondContact O-N 2.98Å; Q38-D42 WeakPolarHBondContact CA-OD2 3.43Å; Q38-D42 HydrophobicContact CB-CB 4.2Å; Q38-D42 HydrophobicContact CG-CB 4.13Å; Q38-F114 WeakPolarHBondContact O-CE2 3.43Å
39G93.8Very high96.7Very high0 Ų021.6 Ų21.60%011%0.111CC..  trans-108-170.3168.100000111.7A2 E37 R41 D42A2-G39 WeakPolarHBondContact CB-O 3.44Å; E37-G39 PolarHBondContact O-N 3.5Å; G39-R41 PolarHBondContact O-N 3.02Å; G39-D42 PolarHBondContact N-OD2 3.46Å; G39-D42 WeakPolarHBondContact O-CB 3.47Å; G39-D42 PolarHBondContact O-N 3.28Å; G39-D42 VanDerWaalsContact O-N 3.13Å
40R95.5Very high96.7Very high36 Ų3624.7 Ų24.714%0.13613%0.126CC..Hα-helixtrans-59.2-32.2179.3-67.9171.7-74.1-160.8-0.7112.9Y5 D42 D43 I44 A115 D116 P118Y5-R40 HydrophobicContact CD1-CG 4.05Å; Y5-R40 HydrophobicContact CE1-CG 3.83Å; Y5-R40 HydrophobicContact CE2-CG 4.43Å; Y5-R40 VanDerWaalsContact CE2-CZ 3.44Å; Y5-R40 VanDerWaalsContact CE2-NH1 3.3Å; Y5-R40 HydrophobicContact CG-CG 4.49Å; Y5-R40 VanDerWaalsContact CZ-CD 3.49Å; Y5-R40 PolarHBondContact OH-NH1 3.24Å; R40-D42 PolarHBondContact O-N 2.8Å; R40-D43 PolarHBondContact O-N 3.01Å; R40-I44 PolarHBondContact O-N 3.43Å; R40-A115 PolarHBondContact NH2-O 3.46Å; R40-D116 PolarHBondContact NE-O 3.45Å; R40-D116 VanDerWaalsContact NH2-C 3.29Å; R40-D116 PolarHBondContact NH2-O 2.95Å; R40-P118 HydrophobicContact CB-CG 3.76Å
41R95.9Very high96.7Very high32 Ų3225.5 Ų25.512%0.12113%0.13CC..Hα-helixtrans-57.8-34.7177.768.9179.4177.2179.8-5.1112.4G39 I44 W45 L112 Q113G39-R41 PolarHBondContact O-N 3.02Å; R41-I44 PolarHBondContact O-N 3.39Å; R41-W45 VanDerWaalsContact O-CD1 3.27Å; R41-W45 PolarHBondContact O-N 2.76Å; R41-L112 HydrophobicContact CB-CB 3.87Å; R41-L112 HydrophobicContact CB-CD1 4.06Å; R41-L112 WeakPolarHBondContact CD-O 3.48Å; R41-L112 PolarHBondContact NH1-O 3.31Å; R41-Q113 VanDerWaalsContact NH1-CA 3.29Å
42D97.1Very high96.7Very high4 Ų424 Ų242%0.02112%0.121CC..Hα-helixtrans-72.9-32.8-172.9-59-77.9000111.7S29 V31 Q38 G39 R40 I44 A46S29-D42 VanDerWaalsContact CB-OD1 3.27Å; S29-D42 WeakPolarHBondContact CB-OD1 3.33Å; S29-D42 PolarHBondContact OG-OD1 2.81Å; V31-D42 WeakPolarHBondContact CB-OD1 3.32Å; Q38-D42 WeakPolarHBondContact CA-OD2 3.43Å; Q38-D42 HydrophobicContact CB-CB 4.2Å; Q38-D42 HydrophobicContact CG-CB 4.13Å; G39-D42 PolarHBondContact N-OD2 3.46Å; G39-D42 WeakPolarHBondContact O-CB 3.47Å; G39-D42 PolarHBondContact O-N 3.28Å; G39-D42 VanDerWaalsContact O-N 3.13Å; R40-D42 PolarHBondContact O-N 2.8Å; D42-I44 VanDerWaalsContact C-N 3.32Å; D42-A46 PolarHBondContact O-N 3.38Å
43D96.4Very high96.8Very high57 Ų5725.3 Ų25.331%0.30513%0.126SC..Hα-helixtrans-66.2-37.3171.2-69.7-22.7000111.7M1 A2 R40 A46 W47M1-D43 VanDerWaalsContact C-OD1 3.28Å; M1-D43 WeakPolarHBondContact CA-OD1 3.41Å; A2-D43 WeakPolarHBondContact CB-OD2 3.31Å; A2-D43 VanDerWaalsContact N-CG 3.28Å; A2-D43 PolarHBondContact N-OD1 3.12Å; A2-D43 PolarHBondContact N-OD2 2.71Å; R40-D43 PolarHBondContact O-N 3.01Å; D43-A46 PolarHBondContact O-N 2.91Å; D43-W47 WeakPolarHBondContact O-CB 3.4Å; D43-W47 PolarHBondContact O-N 3.23Å
44I97.3Very high96.7Very high24 Ų2433 Ų3312%0.12316%0.16CC..Hα-helixtrans-74.3-35.8179-52.4-58.2000111.4R40 R41 D42 W47 F48 L109 P118 Y120 I123R40-I44 PolarHBondContact O-N 3.43Å; R41-I44 PolarHBondContact O-N 3.39Å; D42-I44 VanDerWaalsContact C-N 3.32Å; I44-W47 HydrophobicContact CG2-CE3 3.94Å; I44-W47 HydrophobicContact CG2-CZ3 4.33Å; I44-W47 PolarHBondContact O-N 3.39Å; I44-F48 VanDerWaalsContact O-CB 3.24Å; I44-F48 WeakPolarHBondContact O-CB 3.25Å; I44-F48 PolarHBondContact O-N 3.44Å; I44-L109 HydrophobicContact CB-CD2 4.04Å; I44-L109 HydrophobicContact CG2-CD1 3.91Å; I44-L109 HydrophobicContact CG2-CD2 3.36Å; I44-L109 HydrophobicContact CG2-CG 4.27Å; I44-P118 HydrophobicContact CG1-CB 4.05Å; I44-P118 HydrophobicContact CG1-CG 4.02Å; I44-Y120 HydrophobicContact CD1-CD1 4.47Å; I44-Y120 HydrophobicContact CD1-CE1 3.9Å; I44-Y120 HydrophobicContact CG1-CE1 4.44Å; I44-I123 HydrophobicContact CG2-CD1 3.73Å
45W97.7Very high96.7Very high16 Ų1632.5 Ų32.56%0.06116%0.16CC..Hα-helixtrans-60.1-47.2169.6-83.2117.1000111.9R41 W47 F48 F49 I87 F106 L109R41-W45 VanDerWaalsContact O-CD1 3.27Å; R41-W45 PolarHBondContact O-N 2.76Å; W45-W47 PolarHBondContact O-N 3.09Å; W45-F48 HydrophobicContact CE3-CD1 4.24Å; W45-F48 HydrophobicContact CZ3-CD1 4.03Å; W45-F48 PolarHBondContact O-N 2.85Å; W45-F48 VanDerWaalsContact O-N 3.15Å; W45-F49 HydrophobicContact CB-CE2 4.35Å; W45-F49 HydrophobicContact CD2-CZ 4.47Å; W45-F49 AromaticContact CE3-CE1 3.78Å; W45-F49 HydrophobicContact CE3-CE1 3.78Å; W45-F49 AromaticContact CE3-CZ 3.72Å; W45-F49 HydrophobicContact CE3-CZ 3.72Å; W45-F49 HydrophobicContact CZ3-CE1 4.12Å; W45-F49 HydrophobicContact CZ3-CZ 4.33Å; W45-F49 VanDerWaalsContact O-CD2 3.29Å; W45-F49 WeakPolarHBondContact O-CD2 3.42Å; W45-F49 VanDerWaalsContact O-CG 3.3Å; W45-F49 WeakPolarHBondContact O-CG 3.31Å; W45-F49 PolarHBondContact O-N 3.07Å; W45-I87 HydrophobicContact CD2-CD1 4.47Å; W45-I87 HydrophobicContact CE3-CD1 4.2Å; W45-I87 HydrophobicContact CH2-CD1 3.84Å; W45-I87 HydrophobicContact CH2-CG1 3.91Å; W45-I87 HydrophobicContact CH2-CG2 4.05Å; W45-I87 HydrophobicContact CZ2-CD1 4.1Å; W45-I87 HydrophobicContact CZ2-CG2 4.24Å; W45-I87 HydrophobicContact CZ3-CD1 3.89Å; W45-I87 HydrophobicContact CZ3-CG1 4.07Å; W45-F106 AromaticContact CH2-CD2 3.99Å; W45-F106 HydrophobicContact CH2-CD2 3.99Å; W45-F106 HydrophobicContact CH2-CE2 4.03Å; W45-F106 HydrophobicContact CZ3-CD2 4.13Å; W45-F106 HydrophobicContact CZ3-CE2 4.31Å; W45-L109 HydrophobicContact CD2-CB 4.31Å; W45-L109 HydrophobicContact CD2-CD1 4.17Å; W45-L109 HydrophobicContact CE3-CD1 4.08Å; W45-L109 HydrophobicContact CH2-CB 3.86Å; W45-L109 HydrophobicContact CZ2-CB 3.5Å; W45-L109 VanDerWaalsContact CZ2-CB 3.5Å; W45-L109 HydrophobicContact CZ3-CB 4.4Å; W45-L109 HydrophobicContact CZ3-CD1 4.28Å
46A97.7Very high96.7Very high23 Ų2332.6 Ų32.619%0.1916%0.163CC..Hα-helixtrans-61.2-44.6177.800000112.2Y27 D42 D43 F48 F49 M50Y27-A46 WeakPolarHBondContact O-CA 3.37Å; Y27-A46 VanDerWaalsContact O-CB 3.26Å; Y27-A46 WeakPolarHBondContact O-CB 3.3Å; D42-A46 PolarHBondContact O-N 3.38Å; D43-A46 PolarHBondContact O-N 2.91Å; A46-F48 VanDerWaalsContact C-N 3.34Å; A46-F48 PolarHBondContact O-N 3.27Å; A46-F49 PolarHBondContact O-N 3.37Å; A46-M50 WeakPolarHBondContact O-CG 3.45Å; A46-M50 PolarHBondContact O-N 3.31Å; A46-M50 VanDerWaalsContact O-N 3.09Å
47W97.8Very high96.8Very high70 Ų7034.6 Ų34.627%0.26518%0.183SC..Hα-helixtrans-59.6-43172.5167.677.7000112.7D43 I44 W45 F49 M50 I51 I105 I123 L127D43-W47 WeakPolarHBondContact O-CB 3.4Å; D43-W47 PolarHBondContact O-N 3.23Å; I44-W47 HydrophobicContact CG2-CE3 3.94Å; I44-W47 HydrophobicContact CG2-CZ3 4.33Å; I44-W47 PolarHBondContact O-N 3.39Å; W45-W47 PolarHBondContact O-N 3.09Å; W47-F49 PolarHBondContact O-N 3.39Å; W47-M50 HydrophobicContact CB-CE 4.27Å; W47-M50 WeakPolarHBondContact O-CB 3.49Å; W47-M50 PolarHBondContact O-N 3.29Å; W47-I51 HydrophobicContact CD2-CG2 4.47Å; W47-I51 HydrophobicContact CH2-CD1 3.65Å; W47-I51 HydrophobicContact CZ2-CD1 3.71Å; W47-I51 HydrophobicContact CZ2-CG2 4.11Å; W47-I51 HydrophobicContact CZ3-CD1 4.11Å; W47-I51 PolarHBondContact O-N 2.93Å; W47-I105 HydrophobicContact CH2-CD1 4.3Å; W47-I105 HydrophobicContact CZ3-CG2 4.16Å; W47-I123 HydrophobicContact CH2-CG2 3.38Å; W47-I123 HydrophobicContact CZ2-CG2 4.48Å; W47-I123 HydrophobicContact CZ3-CG2 3.51Å; W47-L127 HydrophobicContact CH2-CD1 4.01Å; W47-L127 HydrophobicContact CH2-CD2 4.36Å; W47-L127 HydrophobicContact CH2-CG 4.49Å; W47-L127 HydrophobicContact CZ2-CD1 3.87Å; W47-L127 HydrophobicContact CZ2-CD2 4.43Å
48F98.3Very high96.9Very high0 Ų036.2 Ų36.20%020%0.195CC..Hα-helixtrans-63.9-42.1-178.8-171.7-124.8000111.5I44 W45 A46 M50 I51 I52 L94 L95 Y102 I105 F106 L109I44-F48 VanDerWaalsContact O-CB 3.24Å; I44-F48 WeakPolarHBondContact O-CB 3.25Å; I44-F48 PolarHBondContact O-N 3.44Å; W45-F48 HydrophobicContact CE3-CD1 4.24Å; W45-F48 HydrophobicContact CZ3-CD1 4.03Å; W45-F48 PolarHBondContact O-N 2.85Å; W45-F48 VanDerWaalsContact O-N 3.15Å; A46-F48 VanDerWaalsContact C-N 3.34Å; A46-F48 PolarHBondContact O-N 3.27Å; F48-M50 PolarHBondContact O-N 2.76Å; F48-I51 HydrophobicContact CD2-CD1 3.82Å; F48-I51 HydrophobicContact CD2-CG1 4.06Å; F48-I51 HydrophobicContact CE2-CD1 4.26Å; F48-I51 WeakPolarHBondContact O-CG1 3.44Å; F48-I51 PolarHBondContact O-N 2.97Å; F48-I52 HydrophobicContact CD1-CD1 3.68Å; F48-I52 HydrophobicContact CD2-CD1 4.36Å; F48-I52 HydrophobicContact CE1-CD1 3.45Å; F48-I52 VanDerWaalsContact CE1-CD1 3.45Å; F48-I52 HydrophobicContact CE1-CG1 4.46Å; F48-I52 HydrophobicContact CE2-CD1 4.16Å; F48-I52 HydrophobicContact CE2-CG1 4.35Å; F48-I52 HydrophobicContact CG-CD1 4.13Å; F48-I52 HydrophobicContact CZ-CD1 3.71Å; F48-I52 HydrophobicContact CZ-CG1 4.28Å; F48-I52 WeakPolarHBondContact O-CD1 3.32Å; F48-I52 VanDerWaalsContact O-CG1 3.31Å; F48-I52 WeakPolarHBondContact O-CG1 3.2Å; F48-I52 PolarHBondContact O-N 3.28Å; F48-L94 HydrophobicContact CE1-CD2 4.5Å; F48-L95 HydrophobicContact CE1-CD2 4.13Å; F48-L95 HydrophobicContact CZ-CD2 3.81Å; F48-Y102 AromaticContact CE2-CD2 3.79Å; F48-Y102 HydrophobicContact CE2-CD2 3.79Å; F48-Y102 HydrophobicContact CE2-CE2 4.45Å; F48-Y102 HydrophobicContact CE2-CG 4.17Å; F48-Y102 HydrophobicContact CZ-CD2 4.25Å; F48-I105 HydrophobicContact CD2-CB 4.3Å; F48-I105 HydrophobicContact CD2-CG2 3.58Å; F48-I105 HydrophobicContact CE2-CB 3.83Å; F48-I105 HydrophobicContact CE2-CD1 4.31Å; F48-I105 HydrophobicContact CE2-CG2 3.64Å; F48-I105 HydrophobicContact CG-CG2 4.25Å; F48-I105 HydrophobicContact CZ-CB 4.35Å; F48-I105 HydrophobicContact CZ-CG2 4.32Å; F48-F106 HydrophobicContact CE1-CB 4.02Å; F48-F106 HydrophobicContact CE1-CD2 4.08Å; F48-F106 HydrophobicContact CZ-CB 4.11Å; F48-L109 HydrophobicContact CB-CD1 3.93Å; F48-L109 HydrophobicContact CD1-CD1 4.14Å; F48-L109 HydrophobicContact CG-CD1 4.04Å
49F98.2Very high97Very high1 Ų135.5 Ų35.50%0.00419%0.192CC..Hα-helixtrans-63.1-39.5173.5-59.3-32.6000112.4Y27 W45 A46 W47 I52 E53 L59 W61 I87 L94Y27-F49 HydrophobicContact CD1-CB 4.35Å; Y27-F49 WeakPolarHBondContact O-CD2 3.29Å; W45-F49 HydrophobicContact CB-CE2 4.35Å; W45-F49 HydrophobicContact CD2-CZ 4.47Å; W45-F49 AromaticContact CE3-CE1 3.78Å; W45-F49 HydrophobicContact CE3-CE1 3.78Å; W45-F49 AromaticContact CE3-CZ 3.72Å; W45-F49 HydrophobicContact CE3-CZ 3.72Å; W45-F49 HydrophobicContact CZ3-CE1 4.12Å; W45-F49 HydrophobicContact CZ3-CZ 4.33Å; W45-F49 VanDerWaalsContact O-CD2 3.29Å; W45-F49 WeakPolarHBondContact O-CD2 3.42Å; W45-F49 VanDerWaalsContact O-CG 3.3Å; W45-F49 WeakPolarHBondContact O-CG 3.31Å; W45-F49 PolarHBondContact O-N 3.07Å; A46-F49 PolarHBondContact O-N 3.37Å; W47-F49 PolarHBondContact O-N 3.39Å; F49-I52 PolarHBondContact O-N 2.89Å; F49-E53 PolarHBondContact O-N 2.89Å; F49-L59 HydrophobicContact CB-CD1 4.1Å; F49-L59 HydrophobicContact CB-CD2 4.24Å; F49-W61 HydrophobicContact CB-CZ2 4.45Å; F49-W61 AromaticContact CD1-CH2 3.72Å; F49-W61 HydrophobicContact CD1-CH2 3.72Å; F49-W61 HydrophobicContact CD1-CZ2 4.33Å; F49-W61 HydrophobicContact CD2-CH2 4.11Å; F49-W61 HydrophobicContact CD2-CZ2 4.1Å; F49-W61 AromaticContact CE1-CH2 3.76Å; F49-W61 HydrophobicContact CE1-CH2 3.76Å; F49-W61 HydrophobicContact CE2-CH2 4.14Å; F49-W61 HydrophobicContact CE2-CZ2 4.42Å; F49-W61 AromaticContact CG-CH2 3.91Å; F49-W61 HydrophobicContact CG-CH2 3.91Å; F49-W61 HydrophobicContact CG-CZ2 4.06Å; F49-W61 AromaticContact CZ-CH2 3.97Å; F49-W61 HydrophobicContact CZ-CH2 3.97Å; F49-I87 HydrophobicContact CZ-CD1 4.29Å; F49-L94 HydrophobicContact CD1-CD1 4.38Å; F49-L94 HydrophobicContact CD1-CD2 4.35Å; F49-L94 HydrophobicContact CE1-CD2 3.94Å
50M97.9Very high97.1Very high67 Ų6737.5 Ų37.533%0.3321%0.205SC..Hα-helixtrans-61-45.7174.8-71.6-172.7-64.200112.3Y27 A46 W47 F48 I52 E53 F54Y27-M50 HydrophobicContact CD1-CG 3.69Å; Y27-M50 HydrophobicContact CD2-CG 4.39Å; Y27-M50 HydrophobicContact CE1-CG 3.83Å; Y27-M50 HydrophobicContact CG-CG 3.98Å; A46-M50 WeakPolarHBondContact O-CG 3.45Å; A46-M50 PolarHBondContact O-N 3.31Å; A46-M50 VanDerWaalsContact O-N 3.09Å; W47-M50 HydrophobicContact CB-CE 4.27Å; W47-M50 WeakPolarHBondContact O-CB 3.49Å; W47-M50 PolarHBondContact O-N 3.29Å; F48-M50 PolarHBondContact O-N 2.76Å; M50-I52 VanDerWaalsContact C-N 3.34Å; M50-I52 PolarHBondContact O-N 3.02Å; M50-E53 PolarHBondContact O-N 3.1Å; M50-F54 VanDerWaalsContact O-CG 3.31Å; M50-F54 WeakPolarHBondContact O-CG 3.49Å; M50-F54 PolarHBondContact O-N 3Å
51I97.4Very high97.2Very high20 Ų2036.1 Ų36.110%0.10320%0.2CC..Hα-helixtrans-71.1-30.3-179.367.8169.8000112.7W47 F48 F54 T55 Y102 L127W47-I51 HydrophobicContact CD2-CG2 4.47Å; W47-I51 HydrophobicContact CH2-CD1 3.65Å; W47-I51 HydrophobicContact CZ2-CD1 3.71Å; W47-I51 HydrophobicContact CZ2-CG2 4.11Å; W47-I51 HydrophobicContact CZ3-CD1 4.11Å; W47-I51 PolarHBondContact O-N 2.93Å; F48-I51 HydrophobicContact CD2-CD1 3.82Å; F48-I51 HydrophobicContact CD2-CG1 4.06Å; F48-I51 HydrophobicContact CE2-CD1 4.26Å; F48-I51 WeakPolarHBondContact O-CG1 3.44Å; F48-I51 PolarHBondContact O-N 2.97Å; I51-F54 PolarHBondContact O-N 2.87Å; I51-T55 WeakPolarHBondContact O-CB 3.45Å; I51-T55 PolarHBondContact O-N 2.77Å; I51-T55 VanDerWaalsContact O-N 3.07Å; I51-T55 PolarHBondContact O-OG1 3.12Å; I51-Y102 HydrophobicContact CD1-CE1 4.47Å; I51-Y102 HydrophobicContact CD1-CE2 3.78Å; I51-Y102 HydrophobicContact CG1-CE2 3.86Å; I51-L127 HydrophobicContact CD1-CD2 4.43Å
52I98Very high97.1Very high2 Ų238.1 Ų38.11%0.0121%0.211CC..Hα-helixtrans-62.7-50.5171.2-71.5160.8000108.8F48 F49 M50 F54 T55 T56 L59 L94 L95 V98 Y102F48-I52 HydrophobicContact CD1-CD1 3.68Å; F48-I52 HydrophobicContact CD2-CD1 4.36Å; F48-I52 HydrophobicContact CE1-CD1 3.45Å; F48-I52 VanDerWaalsContact CE1-CD1 3.45Å; F48-I52 HydrophobicContact CE1-CG1 4.46Å; F48-I52 HydrophobicContact CE2-CD1 4.16Å; F48-I52 HydrophobicContact CE2-CG1 4.35Å; F48-I52 HydrophobicContact CG-CD1 4.13Å; F48-I52 HydrophobicContact CZ-CD1 3.71Å; F48-I52 HydrophobicContact CZ-CG1 4.28Å; F48-I52 WeakPolarHBondContact O-CD1 3.32Å; F48-I52 VanDerWaalsContact O-CG1 3.31Å; F48-I52 WeakPolarHBondContact O-CG1 3.2Å; F48-I52 PolarHBondContact O-N 3.28Å; F49-I52 PolarHBondContact O-N 2.89Å; M50-I52 VanDerWaalsContact C-N 3.34Å; M50-I52 PolarHBondContact O-N 3.02Å; I52-F54 VanDerWaalsContact C-N 3.33Å; I52-F54 PolarHBondContact O-N 2.95Å; I52-T55 CarbonylContact O-C 3.59Å; I52-T55 WeakPolarHBondContact O-CA 3.46Å; I52-T55 WeakPolarHBondContact O-CB 3.16Å; I52-T55 PolarHBondContact O-N 3.47Å; I52-T56 HydrophobicContact CG2-CG2 4.2Å; I52-T56 PolarHBondContact O-N 3.34Å; I52-T56 PolarHBondContact O-OG1 3.17Å; I52-L59 HydrophobicContact CB-CD2 4.23Å; I52-L59 HydrophobicContact CG2-CD2 3.91Å; I52-L94 HydrophobicContact CD1-CD1 3.87Å; I52-L94 HydrophobicContact CD1-CD2 3.98Å; I52-L94 HydrophobicContact CD1-CG 3.7Å; I52-L94 HydrophobicContact CG2-CD1 4.27Å; I52-L95 HydrophobicContact CD1-CD2 4.46Å; I52-V98 HydrophobicContact CG1-CG1 4.28Å; I52-V98 HydrophobicContact CG2-CG1 4.2Å; I52-Y102 HydrophobicContact CG1-CD2 4.04Å; I52-Y102 HydrophobicContact CG1-CE2 4.16Å
53E97.8Very high97Very high30 Ų3046.7 Ų46.714%0.1424%0.244CC..Hα-helixtrans-57.9-43.3177.3-176174.9-119.900112.3Y26 Y27 F49 M50 T55 T56 G57 L59Y26-E53 WeakPolarHBondContact CE1-OE1 3.35Å; Y26-E53 VanDerWaalsContact CZ-OE1 3.31Å; Y26-E53 PolarHBondContact OH-OE1 3.3Å; Y27-E53 WeakPolarHBondContact CE1-OE2 3.45Å; Y27-E53 VanDerWaalsContact CZ-OE2 3.28Å; Y27-E53 PolarHBondContact OH-OE2 3.32Å; F49-E53 PolarHBondContact O-N 2.89Å; M50-E53 PolarHBondContact O-N 3.1Å; E53-T55 PolarHBondContact O-N 2.99Å; E53-T56 PolarHBondContact O-N 3.02Å; E53-G57 CarbonylContact O-C 3.59Å; E53-G57 WeakPolarHBondContact O-CA 3.45Å; E53-G57 PolarHBondContact O-N 3.06Å; E53-L59 HydrophobicContact CB-CD1 4.37Å; E53-L59 HydrophobicContact CB-CG 4.12Å
54F96.6Very high96.9Very high162 Ų16247.1 Ų47.171%0.71125%0.246SC*.Hα-helixtrans-60.7-32.1175.3-66.9-12.6000112.7M50 I51 I52M50-F54 VanDerWaalsContact O-CG 3.31Å; M50-F54 WeakPolarHBondContact O-CG 3.49Å; M50-F54 PolarHBondContact O-N 3Å; I51-F54 PolarHBondContact O-N 2.87Å; I52-F54 VanDerWaalsContact C-N 3.33Å; I52-F54 PolarHBondContact O-N 2.95Å
55T95.9Very high96.7Very high61 Ų6150.8 Ų50.837%0.37427%0.266SS..Hα-helixtrans-81.4-40.1-179.2-56.80000112.4I51 I52 E53 V98 Y102I51-T55 WeakPolarHBondContact O-CB 3.45Å; I51-T55 PolarHBondContact O-N 2.77Å; I51-T55 VanDerWaalsContact O-N 3.07Å; I51-T55 PolarHBondContact O-OG1 3.12Å; I52-T55 CarbonylContact O-C 3.59Å; I52-T55 WeakPolarHBondContact O-CA 3.46Å; I52-T55 WeakPolarHBondContact O-CB 3.16Å; I52-T55 PolarHBondContact O-N 3.47Å; E53-T55 PolarHBondContact O-N 2.99Å; T55-V98 HydrophobicContact CG2-CB 4.34Å; T55-V98 HydrophobicContact CG2-CG1 4.06Å; T55-Y102 PolarHBondContact OG1-OH 3.15Å
56T96.8Very high96.6Very high38 Ų3850.7 Ų50.723%0.23327%0.266CS..Hα-helixtrans-103.4-14.3-171.162.10000113.7I52 E53 S58 K97 V98I52-T56 HydrophobicContact CG2-CG2 4.2Å; I52-T56 PolarHBondContact O-N 3.34Å; I52-T56 PolarHBondContact O-OG1 3.17Å; E53-T56 PolarHBondContact O-N 3.02Å; T56-S58 VanDerWaalsContact C-N 3.26Å; T56-S58 PolarHBondContact O-N 3.42Å; T56-S58 PolarHBondContact OG1-N 3.23Å; T56-S58 PolarHBondContact OG1-O 2.9Å; T56-K97 HydrophobicContact CG2-CB 3.84Å; T56-V98 HydrophobicContact CG2-CG1 3.64Å
57G97Very high96.4Very high59 Ų5955.6 Ų55.661%0.60829%0.289SS*.SBendtrans80.3-8.7-173.300000115.1E53E53-G57 CarbonylContact O-C 3.59Å; E53-G57 WeakPolarHBondContact O-CA 3.45Å; E53-G57 PolarHBondContact O-N 3.06Å
58S96.8Very high96.2Very high41 Ų4158.6 Ų58.629%0.28731%0.31SS..SBendtrans-162.5154.7-177.652.30000112.6T56T56-S58 VanDerWaalsContact C-N 3.26Å; T56-S58 PolarHBondContact O-N 3.42Å; T56-S58 PolarHBondContact OG1-N 3.23Å; T56-S58 PolarHBondContact OG1-O 2.9Å
59L97.6Very high96.1Very high3 Ų360.8 Ų60.82%0.01632%0.321CS..  trans-97.3152.9169.7-72163.4000111.2Y26 Y27 F49 I52 E53 W61 Q62 L94Y26-L59 HydrophobicContact CD1-CD1 4.34Å; Y26-L59 HydrophobicContact CE1-CD1 3.72Å; Y27-L59 HydrophobicContact CD1-CD1 4.09Å; Y27-L59 HydrophobicContact CE1-CD1 4.12Å; F49-L59 HydrophobicContact CB-CD1 4.1Å; F49-L59 HydrophobicContact CB-CD2 4.24Å; I52-L59 HydrophobicContact CB-CD2 4.23Å; I52-L59 HydrophobicContact CG2-CD2 3.91Å; E53-L59 HydrophobicContact CB-CD1 4.37Å; E53-L59 HydrophobicContact CB-CG 4.12Å; L59-W61 HydrophobicContact CB-CD2 4.18Å; L59-W61 HydrophobicContact CB-CZ2 4.08Å; L59-W61 HydrophobicContact CD1-CH2 4.49Å; L59-W61 HydrophobicContact CD1-CZ2 3.65Å; L59-W61 HydrophobicContact CD2-CH2 4.12Å; L59-W61 HydrophobicContact CD2-CZ2 4.08Å; L59-W61 HydrophobicContact CG-CZ2 4.15Å; L59-W61 PolarHBondContact O-N 2.95Å; L59-W61 VanDerWaalsContact O-N 3.12Å; L59-Q62 VanDerWaalsContact O-CB 3.26Å; L59-Q62 WeakPolarHBondContact O-CB 3.3Å; L59-Q62 PolarHBondContact O-N 3.46Å; L59-L94 HydrophobicContact CD2-CD1 3.99Å
60P96.3Very high96.1Very high41 Ų4169.9 Ų69.927%0.26636%0.364SS..G310 helixtrans-54.9-34.9-177-27.535.1000114.1Q62 L86 E93 L94P60-Q62 VanDerWaalsContact C-N 3.34Å; P60-Q62 PolarHBondContact O-N 3.47Å; P60-L86 HydrophobicContact CB-CD1 4.14Å; P60-L86 HydrophobicContact CG-CD1 4.46Å; P60-E93 HydrophobicContact CG-CB 4.41Å; P60-L94 HydrophobicContact CG-CD1 4.14Å
61W96.5Very high96Very high8 Ų870.6 Ų70.63%0.0337%0.369CS..G310 helixtrans-86.45.8-179.154.979.6000114.9Y26 F49 L59 Y63 N64 R83 L86 L94Y26-W61 PolarHBondContact O-NE1 3.16Å; F49-W61 HydrophobicContact CB-CZ2 4.45Å; F49-W61 AromaticContact CD1-CH2 3.72Å; F49-W61 HydrophobicContact CD1-CH2 3.72Å; F49-W61 HydrophobicContact CD1-CZ2 4.33Å; F49-W61 HydrophobicContact CD2-CH2 4.11Å; F49-W61 HydrophobicContact CD2-CZ2 4.1Å; F49-W61 AromaticContact CE1-CH2 3.76Å; F49-W61 HydrophobicContact CE1-CH2 3.76Å; F49-W61 HydrophobicContact CE2-CH2 4.14Å; F49-W61 HydrophobicContact CE2-CZ2 4.42Å; F49-W61 AromaticContact CG-CH2 3.91Å; F49-W61 HydrophobicContact CG-CH2 3.91Å; F49-W61 HydrophobicContact CG-CZ2 4.06Å; F49-W61 AromaticContact CZ-CH2 3.97Å; F49-W61 HydrophobicContact CZ-CH2 3.97Å; L59-W61 HydrophobicContact CB-CD2 4.18Å; L59-W61 HydrophobicContact CB-CZ2 4.08Å; L59-W61 HydrophobicContact CD1-CH2 4.49Å; L59-W61 HydrophobicContact CD1-CZ2 3.65Å; L59-W61 HydrophobicContact CD2-CH2 4.12Å; L59-W61 HydrophobicContact CD2-CZ2 4.08Å; L59-W61 HydrophobicContact CG-CZ2 4.15Å; L59-W61 PolarHBondContact O-N 2.95Å; L59-W61 VanDerWaalsContact O-N 3.12Å; W61-Y63 PolarHBondContact O-N 3.3Å; W61-N64 PolarHBondContact O-N 2.93Å; W61-R83 HydrophobicContact CD2-CG 4.1Å; W61-R83 VanDerWaalsContact CE2-NE 3.3Å; W61-R83 HydrophobicContact CE3-CG 3.79Å; W61-R83 HydrophobicContact CH2-CG 4.06Å; W61-R83 HydrophobicContact CZ2-CG 4.34Å; W61-R83 HydrophobicContact CZ3-CG 3.79Å; W61-L86 HydrophobicContact CE3-CD1 3.6Å; W61-L86 HydrophobicContact CZ3-CD1 3.76Å; W61-L94 HydrophobicContact CH2-CD1 4.23Å; W61-L94 HydrophobicContact CZ3-CD1 4.1Å
62Q95.2Very high95.9Very high74 Ų7474 Ų7435%0.34639%0.392SS..G310 helixtrans-58.1-34.4-178.6178.7176.1-39.600112.5Y26 L59 P60Y26-Q62 HydrophobicContact CE2-CB 4.45Å; L59-Q62 VanDerWaalsContact O-CB 3.26Å; L59-Q62 WeakPolarHBondContact O-CB 3.3Å; L59-Q62 PolarHBondContact O-N 3.46Å; P60-Q62 VanDerWaalsContact C-N 3.34Å; P60-Q62 PolarHBondContact O-N 3.47Å
63Y93.4Very high95.8Very high183 Ų18377.8 Ų77.872%0.71842%0.415SS*.G310 helixtrans-105.79.1-176.5-52.3-69.3000113.4W61 N65W61-Y63 PolarHBondContact O-N 3.3Å; Y63-N65 PolarHBondContact O-N 3.49Å
64N95.4Very high95.8Very high66 Ų6678.4 Ų78.435%0.35343%0.426SS..  trans-68.7130.3173.9-74.319000109W61 Y66 D82W61-N64 PolarHBondContact O-N 2.93Å; N64-Y66 HydrophobicContact CB-CD2 4.09Å; N64-Y66 HydrophobicContact CB-CE1 4.01Å; N64-Y66 HydrophobicContact CB-CE2 3.38Å; N64-Y66 WeakPolarHBondContact CB-OH 3.36Å; N64-Y66 PolarHBondContact ND2-OH 3.26Å; N64-Y66 WeakPolarHBondContact O-CD2 3.36Å; N64-Y66 PolarHBondContact O-N 3.44Å; N64-D82 PolarHBondContact ND2-OD2 3.2Å; N64-D82 VanDerWaalsContact ND2-OD2 3.1Å
65N93.1Very high95.9Very high102 Ų10273.2 Ų73.255%0.54540%0.403SS..  trans-85.198.6178-175.3-0.6000110.6Y63 D67 N68Y63-N65 PolarHBondContact O-N 3.49Å; N65-D67 PolarHBondContact OD1-N 3.24Å; N65-N68 PolarHBondContact ND2-ND2 3.1Å
66Y95.9Very high96Very high14 Ų1471.6 Ų71.66%0.05539%0.392CS..  trans-100.21.2173.7-53.6-70.5000113.1N64 N68 I69 K75 Q78 M79 D82N64-Y66 HydrophobicContact CB-CD2 4.09Å; N64-Y66 HydrophobicContact CB-CE1 4.01Å; N64-Y66 HydrophobicContact CB-CE2 3.38Å; N64-Y66 WeakPolarHBondContact CB-OH 3.36Å; N64-Y66 PolarHBondContact ND2-OH 3.26Å; N64-Y66 WeakPolarHBondContact O-CD2 3.36Å; N64-Y66 PolarHBondContact O-N 3.44Å; Y66-N68 VanDerWaalsContact C-N 3.3Å; Y66-N68 PolarHBondContact O-N 3.06Å; Y66-I69 PolarHBondContact O-N 3.18Å; Y66-K75 WeakPolarHBondContact O-CD 3.41Å; Y66-K75 WeakPolarHBondContact O-CE 3.43Å; Y66-K75 PolarHBondContact O-NZ 3.25Å; Y66-Q78 HydrophobicContact CD1-CB 4.46Å; Y66-Q78 HydrophobicContact CD1-CG 4.04Å; Y66-Q78 HydrophobicContact CE1-CG 4Å; Y66-M79 HydrophobicContact CD1-CG 3.91Å; Y66-M79 HydrophobicContact CD2-CE 3.32Å; Y66-M79 HydrophobicContact CD2-CG 3.94Å; Y66-M79 HydrophobicContact CE1-CB 4.48Å; Y66-M79 HydrophobicContact CE1-CG 3.78Å; Y66-M79 HydrophobicContact CE2-CE 3.78Å; Y66-M79 HydrophobicContact CE2-CG 3.8Å; Y66-M79 HydrophobicContact CG-CE 3.81Å; Y66-M79 HydrophobicContact CG-CG 3.98Å; Y66-D82 WeakPolarHBondContact CE1-OD2 3.26Å; Y66-D82 PolarHBondContact OH-OD2 3.4Å; Y66-D82 VanDerWaalsContact OH-OD2 3.06Å
67D92.3Very high96Very high126 Ų12671.2 Ų71.267%0.67439%0.392SS*.THydrogen-bonded Turntrans-78.4-18.3-171.2-66.4-28.4000112.9N65 I69 K75N65-D67 PolarHBondContact OD1-N 3.24Å; D67-I69 PolarHBondContact O-N 2.8Å; D67-K75 IonicContact OD1-NZ 3.83Å; D67-K75 PolarHBondContact OD1-NZ 3.21Å
68N94.5Very high96.1Very high132 Ų13272.1 Ų72.171%0.70638%0.381SS*.THydrogen-bonded Turntrans-74.1-5.1172-63.1-19.2000113.6N65 Y66N65-N68 PolarHBondContact ND2-ND2 3.1Å; Y66-N68 VanDerWaalsContact C-N 3.3Å; Y66-N68 PolarHBondContact O-N 3.06Å
69I96.5Very high96.1Very high47 Ų4771.4 Ų71.424%0.24137%0.373CS..  trans-97.7104.3-179.9-53172.6000108.9Y66 D67 A74 K75 Q78Y66-I69 PolarHBondContact O-N 3.18Å; D67-I69 PolarHBondContact O-N 2.8Å; I69-A74 HydrophobicContact CG2-CB 3.74Å; I69-K75 HydrophobicContact CB-CB 4.09Å; I69-K75 HydrophobicContact CB-CG 4.47Å; I69-K75 HydrophobicContact CG2-CB 3.93Å; I69-Q78 HydrophobicContact CD1-CB 3.74Å; I69-Q78 HydrophobicContact CD1-CG 3.93Å
70E96.7Very high96.2Very high191 Ų19171.3 Ų71.389%0.89337%0.373SS*.  trans-70.3-42.4-176.2-65.1-175.1173.300113.1P72E70-P72 VanDerWaalsContact O-CD 3.23Å; E70-P72 WeakPolarHBondContact O-CD 3.12Å
71D97.1Very high96.2Very high83 Ų8373.1 Ų73.144%0.44438%0.38SS..SBendtrans-69.9117.2178.2170.531.3000110.4V73 A74 K75D71-V73 PolarHBondContact O-N 3.01Å; D71-V73 PolarHBondContact OD1-N 2.68Å; D71-A74 HydrophobicContact CB-CB 3.89Å; D71-A74 PolarHBondContact O-N 3.07Å; D71-A74 VanDerWaalsContact OD2-CB 3.3Å; D71-A74 WeakPolarHBondContact OD2-CB 3.47Å; D71-A74 PolarHBondContact OD2-N 3.46Å; D71-K75 WeakPolarHBondContact O-CB 3.34Å; D71-K75 PolarHBondContact O-N 2.71Å
72P95.5Very high96.3Very high90 Ų9074.7 Ų74.758%0.58439%0.389SS*.Hα-helixtrans-58.7-31.7179.1-24.635.4000113.3E70 L76E70-P72 VanDerWaalsContact O-CD 3.23Å; E70-P72 WeakPolarHBondContact O-CD 3.12Å; P72-L76 VanDerWaalsContact O-CG 3.27Å; P72-L76 WeakPolarHBondContact O-CG 3.42Å; P72-L76 PolarHBondContact O-N 2.88Å; P72-L76 VanDerWaalsContact O-N 3.1Å
73V95.8Very high96.4Very high82 Ų8271.3 Ų71.350%0.49737%0.373SS..Hα-helixtrans-72.6-47.4179.7179.40000110.3D71 K75 L76 A77D71-V73 PolarHBondContact O-N 3.01Å; D71-V73 PolarHBondContact OD1-N 2.68Å; V73-K75 VanDerWaalsContact C-N 3.28Å; V73-K75 PolarHBondContact O-N 3.29Å; V73-L76 PolarHBondContact O-N 3.42Å; V73-A77 WeakPolarHBondContact O-CB 3.31Å; V73-A77 PolarHBondContact O-N 3.15Å
74A97.5Very high96.6Very high43 Ų4365.2 Ų65.236%0.35535%0.351SS..Hα-helixtrans-57.8-39.9172.400000112.2I69 D71 A77 Q78I69-A74 HydrophobicContact CG2-CB 3.74Å; D71-A74 HydrophobicContact CB-CB 3.89Å; D71-A74 PolarHBondContact O-N 3.07Å; D71-A74 VanDerWaalsContact OD2-CB 3.3Å; D71-A74 WeakPolarHBondContact OD2-CB 3.47Å; D71-A74 PolarHBondContact OD2-N 3.46Å; A74-A77 PolarHBondContact O-N 2.9Å; A74-Q78 PolarHBondContact O-N 3.29Å
75K97.8Very high96.7Very high54 Ų5464.9 Ų64.924%0.23536%0.357CS..Hα-helixtrans-60.5-47.3176.8-174.7170.2-175.5159.20111.6Y66 D67 I69 D71 V73 Q78 M79Y66-K75 WeakPolarHBondContact O-CD 3.41Å; Y66-K75 WeakPolarHBondContact O-CE 3.43Å; Y66-K75 PolarHBondContact O-NZ 3.25Å; D67-K75 IonicContact OD1-NZ 3.83Å; D67-K75 PolarHBondContact OD1-NZ 3.21Å; I69-K75 HydrophobicContact CB-CB 4.09Å; I69-K75 HydrophobicContact CB-CG 4.47Å; I69-K75 HydrophobicContact CG2-CB 3.93Å; D71-K75 WeakPolarHBondContact O-CB 3.34Å; D71-K75 PolarHBondContact O-N 2.71Å; V73-K75 VanDerWaalsContact C-N 3.28Å; V73-K75 PolarHBondContact O-N 3.29Å; K75-Q78 PolarHBondContact O-N 3.44Å; K75-M79 WeakPolarHBondContact O-CG 3.37Å; K75-M79 PolarHBondContact O-N 3.49Å; K75-M79 VanDerWaalsContact O-N 3.14Å
76L97.8Very high96.9Very high26 Ų2661.4 Ų61.414%0.13634%0.339CS..Hα-helixtrans-64.7-41.2176-66.6171.2000111.4F21 P25 L33 M35 P72 V73 Q78 M79 G80F21-L76 HydrophobicContact CB-CD1 4.2Å; F21-L76 HydrophobicContact CD1-CD1 3.82Å; F21-L76 HydrophobicContact CD1-CD2 4Å; F21-L76 HydrophobicContact CE1-CD2 4.1Å; F21-L76 HydrophobicContact CG-CD1 4.3Å; P25-L76 HydrophobicContact CB-CD2 3.88Å; P25-L76 HydrophobicContact CG-CD2 3.73Å; L33-L76 HydrophobicContact CD2-CB 4.3Å; L33-L76 HydrophobicContact CD2-CD2 3.59Å; M35-L76 HydrophobicContact CE-CB 4.24Å; M35-L76 HydrophobicContact CE-CD1 3.61Å; P72-L76 VanDerWaalsContact O-CG 3.27Å; P72-L76 WeakPolarHBondContact O-CG 3.42Å; P72-L76 PolarHBondContact O-N 2.88Å; P72-L76 VanDerWaalsContact O-N 3.1Å; V73-L76 PolarHBondContact O-N 3.42Å; L76-Q78 PolarHBondContact O-N 2.99Å; L76-M79 PolarHBondContact O-N 3.48Å; L76-G80 PolarHBondContact O-N 2.86Å
77A97.8Very high96.9Very high30 Ų3061.2 Ų61.225%0.24834%0.339CS..Hα-helixtrans-61.7-42.8178.100000111.9L34 V73 A74 G80 N81L34-A77 HydrophobicContact CD2-CB 4.33Å; V73-A77 WeakPolarHBondContact O-CB 3.31Å; V73-A77 PolarHBondContact O-N 3.15Å; A74-A77 PolarHBondContact O-N 2.9Å; A77-G80 PolarHBondContact O-N 3.36Å; A77-G80 VanDerWaalsContact O-N 3.17Å; A77-N81 WeakPolarHBondContact O-CB 3.19Å; A77-N81 VanDerWaalsContact O-CG 3.26Å; A77-N81 PolarHBondContact O-N 3.03Å; A77-N81 PolarHBondContact O-ND2 3.46Å
78Q98.1Very high97.1Very high79 Ų7961.1 Ų61.137%0.36933%0.334SS..Hα-helixtrans-60.2-49.9174.8-173.564.247.100111.5Y66 I69 A74 K75 L76 G80 N81 D82Y66-Q78 HydrophobicContact CD1-CB 4.46Å; Y66-Q78 HydrophobicContact CD1-CG 4.04Å; Y66-Q78 HydrophobicContact CE1-CG 4Å; I69-Q78 HydrophobicContact CD1-CB 3.74Å; I69-Q78 HydrophobicContact CD1-CG 3.93Å; A74-Q78 PolarHBondContact O-N 3.29Å; K75-Q78 PolarHBondContact O-N 3.44Å; L76-Q78 PolarHBondContact O-N 2.99Å; Q78-G80 PolarHBondContact O-N 3.29Å; Q78-N81 PolarHBondContact O-N 3.41Å; Q78-D82 PolarHBondContact NE2-OD1 3.01Å; Q78-D82 PolarHBondContact O-N 2.92Å
79M98.3Very high97.2Very high26 Ų2657 Ų5713%0.12832%0.324CS..Hα-helixtrans-56.3-38.1174.9-70179.3160.500112.1P25 L33 Y66 K75 L76 R83P25-M79 HydrophobicContact CB-SD 3.78Å; L33-M79 HydrophobicContact CD1-CB 3.72Å; Y66-M79 HydrophobicContact CD1-CG 3.91Å; Y66-M79 HydrophobicContact CD2-CE 3.32Å; Y66-M79 HydrophobicContact CD2-CG 3.94Å; Y66-M79 HydrophobicContact CE1-CB 4.48Å; Y66-M79 HydrophobicContact CE1-CG 3.78Å; Y66-M79 HydrophobicContact CE2-CE 3.78Å; Y66-M79 HydrophobicContact CE2-CG 3.8Å; Y66-M79 HydrophobicContact CG-CE 3.81Å; Y66-M79 HydrophobicContact CG-CG 3.98Å; K75-M79 WeakPolarHBondContact O-CG 3.37Å; K75-M79 PolarHBondContact O-N 3.49Å; K75-M79 VanDerWaalsContact O-N 3.14Å; L76-M79 PolarHBondContact O-N 3.48Å; M79-R83 WeakPolarHBondContact O-CG 3.27Å; M79-R83 PolarHBondContact O-N 3.16Å
80G98Very high97.2Very high0 Ų059.3 Ų59.30%034%0.336CS..Hα-helixtrans-67.5-45179.200000112L76 A77 Q78 R83 Q84L76-G80 PolarHBondContact O-N 2.86Å; A77-G80 PolarHBondContact O-N 3.36Å; A77-G80 VanDerWaalsContact O-N 3.17Å; Q78-G80 PolarHBondContact O-N 3.29Å; G80-R83 PolarHBondContact O-N 3.35Å; G80-Q84 WeakPolarHBondContact O-CB 3.3Å; G80-Q84 PolarHBondContact O-N 3.47Å
81N98.1Very high97.1Very high80 Ų8050.2 Ų50.243%0.42829%0.293SS..Hα-helixtrans-64.4-45.2178.2-70.8-28.3000112.1L34 A77 Q78 R83 Q84 A85L34-N81 WeakPolarHBondContact CD2-OD1 3.47Å; A77-N81 WeakPolarHBondContact O-CB 3.19Å; A77-N81 VanDerWaalsContact O-CG 3.26Å; A77-N81 PolarHBondContact O-N 3.03Å; A77-N81 PolarHBondContact O-ND2 3.46Å; Q78-N81 PolarHBondContact O-N 3.41Å; N81-R83 VanDerWaalsContact C-N 3.3Å; N81-R83 PolarHBondContact O-N 3.03Å; N81-Q84 WeakPolarHBondContact O-CB 3.19Å; N81-Q84 PolarHBondContact O-N 3.45Å; N81-Q84 VanDerWaalsContact O-N 3.15Å; N81-A85 WeakPolarHBondContact O-CB 3.38Å; N81-A85 PolarHBondContact O-N 2.96Å
82D97.6Very high97Very high41 Ų4153.9 Ų53.922%0.21931%0.308CS..Hα-helixtrans-58.4-44177.9-70.93.9000111N64 Y66 Q78 A85 L86N64-D82 PolarHBondContact ND2-OD2 3.2Å; N64-D82 VanDerWaalsContact ND2-OD2 3.1Å; Y66-D82 WeakPolarHBondContact CE1-OD2 3.26Å; Y66-D82 PolarHBondContact OH-OD2 3.4Å; Y66-D82 VanDerWaalsContact OH-OD2 3.06Å; Q78-D82 PolarHBondContact NE2-OD1 3.01Å; Q78-D82 PolarHBondContact O-N 2.92Å; D82-A85 PolarHBondContact O-N 3.36Å; D82-L86 WeakPolarHBondContact O-CG 3.49Å; D82-L86 PolarHBondContact O-N 3.01Å; D82-L86 VanDerWaalsContact O-N 3.09Å
83R97.3Very high97Very high2 Ų255.7 Ų55.71%0.00831%0.309CS..Hα-helixtrans-69.4-38176.7-68.4179.9-167.3157.313.6112.8P25 Y26 A28 P30 W61 M79 G80 N81 A85 L86 I87P25-R83 PolarHBondContact O-NH1 3.03Å; P25-R83 PolarHBondContact O-NH2 3.18Å; Y26-R83 PolarHBondContact O-NH2 3.09Å; Y26-R83 VanDerWaalsContact O-NH2 3.11Å; A28-R83 PolarHBondContact O-NH1 3.48Å; P30-R83 HydrophobicContact CG-CB 3.9Å; W61-R83 HydrophobicContact CD2-CG 4.1Å; W61-R83 VanDerWaalsContact CE2-NE 3.3Å; W61-R83 HydrophobicContact CE3-CG 3.79Å; W61-R83 HydrophobicContact CH2-CG 4.06Å; W61-R83 HydrophobicContact CZ2-CG 4.34Å; W61-R83 HydrophobicContact CZ3-CG 3.79Å; M79-R83 WeakPolarHBondContact O-CG 3.27Å; M79-R83 PolarHBondContact O-N 3.16Å; G80-R83 PolarHBondContact O-N 3.35Å; N81-R83 VanDerWaalsContact C-N 3.3Å; N81-R83 PolarHBondContact O-N 3.03Å; R83-A85 VanDerWaalsContact C-N 3.3Å; R83-L86 PolarHBondContact O-N 2.96Å; R83-I87 WeakPolarHBondContact O-CG1 2.99Å; R83-I87 PolarHBondContact O-N 3.4Å
84Q97.7Very high97Very high56 Ų5652 Ų5226%0.26229%0.286SS..Hα-helixtrans-61.9-42.1176-1736253.200110.6P30 G80 N81 I87 Q88P30-Q84 HydrophobicContact CB-CB 4.08Å; G80-Q84 WeakPolarHBondContact O-CB 3.3Å; G80-Q84 PolarHBondContact O-N 3.47Å; N81-Q84 WeakPolarHBondContact O-CB 3.19Å; N81-Q84 PolarHBondContact O-N 3.45Å; N81-Q84 VanDerWaalsContact O-N 3.15Å; Q84-I87 PolarHBondContact O-N 2.82Å; Q84-Q88 WeakPolarHBondContact O-CB 3.41Å; Q84-Q88 VanDerWaalsContact O-CG 3.31Å; Q84-Q88 WeakPolarHBondContact O-CG 3.49Å; Q84-Q88 PolarHBondContact O-N 2.93Å
85A97.4Very high97Very high58 Ų5850.6 Ų50.648%0.47927%0.273SS..Hα-helixtrans-61.8-46176.100000111.6N81 D82 R83 I87 Q88 G89N81-A85 WeakPolarHBondContact O-CB 3.38Å; N81-A85 PolarHBondContact O-N 2.96Å; D82-A85 PolarHBondContact O-N 3.36Å; R83-A85 VanDerWaalsContact C-N 3.3Å; A85-I87 VanDerWaalsContact C-N 3.33Å; A85-I87 PolarHBondContact O-N 3.48Å; A85-Q88 PolarHBondContact O-N 2.81Å; A85-G89 PolarHBondContact O-N 3.15Å
86L96.3Very high96.9Very high30 Ų3056.4 Ų56.416%0.15729%0.293CS..Hα-helixtrans-57.8-43.1174.9-73.7170.1000112.5P60 W61 D82 R83 G91 E93P60-L86 HydrophobicContact CB-CD1 4.14Å; P60-L86 HydrophobicContact CG-CD1 4.46Å; W61-L86 HydrophobicContact CE3-CD1 3.6Å; W61-L86 HydrophobicContact CZ3-CD1 3.76Å; D82-L86 WeakPolarHBondContact O-CG 3.49Å; D82-L86 PolarHBondContact O-N 3.01Å; D82-L86 VanDerWaalsContact O-N 3.09Å; R83-L86 PolarHBondContact O-N 2.96Å; L86-G91 VanDerWaalsContact O-CA 3.28Å; L86-G91 WeakPolarHBondContact O-CA 3.39Å; L86-G91 PolarHBondContact O-N 3.48Å; L86-E93 HydrophobicContact CD2-CB 4.06Å; L86-E93 HydrophobicContact CD2-CG 4.42Å; L86-E93 WeakPolarHBondContact CD2-OE2 3.21Å
87I97.4Very high96.8Very high10 Ų1061.5 Ų61.55%0.05131%0.314CS..Hα-helixtrans-70.7-36.5179-70.1162.6000111.5P30 W45 F49 R83 Q84 A85 D90 F106 K110P30-I87 HydrophobicContact CG-CD1 3.57Å; W45-I87 HydrophobicContact CD2-CD1 4.47Å; W45-I87 HydrophobicContact CE3-CD1 4.2Å; W45-I87 HydrophobicContact CH2-CD1 3.84Å; W45-I87 HydrophobicContact CH2-CG1 3.91Å; W45-I87 HydrophobicContact CH2-CG2 4.05Å; W45-I87 HydrophobicContact CZ2-CD1 4.1Å; W45-I87 HydrophobicContact CZ2-CG2 4.24Å; W45-I87 HydrophobicContact CZ3-CD1 3.89Å; W45-I87 HydrophobicContact CZ3-CG1 4.07Å; F49-I87 HydrophobicContact CZ-CD1 4.29Å; R83-I87 WeakPolarHBondContact O-CG1 2.99Å; R83-I87 PolarHBondContact O-N 3.4Å; Q84-I87 PolarHBondContact O-N 2.82Å; A85-I87 VanDerWaalsContact C-N 3.33Å; A85-I87 PolarHBondContact O-N 3.48Å; I87-D90 PolarHBondContact O-N 3.06Å; I87-F106 HydrophobicContact CB-CE2 4.46Å; I87-F106 HydrophobicContact CB-CZ 4.48Å; I87-F106 HydrophobicContact CG1-CE2 4.15Å; I87-F106 HydrophobicContact CG2-CE2 4.38Å; I87-F106 HydrophobicContact CG2-CZ 4.24Å; I87-F106 WeakPolarHBondContact O-CZ 3.37Å; I87-K110 HydrophobicContact CG2-CG 4.13Å; I87-K110 VanDerWaalsContact O-CE 3.25Å; I87-K110 WeakPolarHBondContact O-CE 3.24Å
88Q96.3Very high96.7Very high123 Ų12361 Ų6158%0.57531%0.308SS*.Hα-helixtrans-68.5-40.6178-77.4172.1-25.100111.7Q84 A85 D90 K110Q84-Q88 WeakPolarHBondContact O-CB 3.41Å; Q84-Q88 VanDerWaalsContact O-CG 3.31Å; Q84-Q88 WeakPolarHBondContact O-CG 3.49Å; Q84-Q88 PolarHBondContact O-N 2.93Å; A85-Q88 PolarHBondContact O-N 2.81Å; Q88-D90 PolarHBondContact O-N 3.47Å; Q88-K110 PolarHBondContact O-NZ 3.32Å
89G96.2Very high96.6Very high47 Ų4758.5 Ų58.549%0.48530%0.299SS..THydrogen-bonded Turntrans-77.335.3172.900000114.3A85 G91A85-G89 PolarHBondContact O-N 3.15Å; G89-G91 PolarHBondContact O-N 3.4Å
90D95.5Very high96.5Very high94 Ų9464.7 Ų64.750%0.50333%0.325SS..THydrogen-bonded Turntrans55.318.2175.1-67.1-41.2000116.6I87 Q88 E92 K110I87-D90 PolarHBondContact O-N 3.06Å; Q88-D90 PolarHBondContact O-N 3.47Å; D90-E92 VanDerWaalsContact C-N 3.27Å; D90-E92 PolarHBondContact O-N 3.15Å; D90-K110 IonicContact OD1-NZ 3.71Å; D90-K110 PolarHBondContact OD1-NZ 2.94Å
91G95.3Very high96.5Very high0 Ų065.3 Ų65.30%033%0.328CS..THydrogen-bonded Turntrans66.623.8172.200000114L86 G89 E93 L94 L95L86-G91 VanDerWaalsContact O-CA 3.28Å; L86-G91 WeakPolarHBondContact O-CA 3.39Å; L86-G91 PolarHBondContact O-N 3.48Å; G89-G91 PolarHBondContact O-N 3.4Å; G91-E93 VanDerWaalsContact C-N 3.32Å; G91-E93 PolarHBondContact O-N 2.95Å; G91-L94 CarbonylContact O-C 3.57Å; G91-L94 WeakPolarHBondContact O-CA 3.47Å; G91-L94 WeakPolarHBondContact O-CB 3.32Å; G91-L94 PolarHBondContact O-N 3.27Å; G91-L95 WeakPolarHBondContact O-CB 3.5Å; G91-L95 WeakPolarHBondContact O-CG 3.42Å; G91-L95 PolarHBondContact O-N 3.4Å
92E95Very high96.5Very high160 Ų16062.4 Ų62.475%0.74831%0.311SS*.Hα-helixtrans-51.5-48.7-175.7-69.8-169.2165.300112.6D90 R96D90-E92 VanDerWaalsContact C-N 3.27Å; D90-E92 PolarHBondContact O-N 3.15Å; E92-R96 WeakPolarHBondContact O-CB 3.33Å; E92-R96 PolarHBondContact O-N 3.48Å
93E95.2Very high96.5Very high128 Ų12863.4 Ų63.460%0.59832%0.316SS*.Hα-helixtrans-69-37.6177.5-63.5-170.6165.500112.8P60 L86 G91 L95P60-E93 HydrophobicContact CG-CB 4.41Å; L86-E93 HydrophobicContact CD2-CB 4.06Å; L86-E93 HydrophobicContact CD2-CG 4.42Å; L86-E93 WeakPolarHBondContact CD2-OE2 3.21Å; G91-E93 VanDerWaalsContact C-N 3.32Å; G91-E93 PolarHBondContact O-N 2.95Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.15Å
94L96.2Very high96.5Very high4 Ų468 Ų682%0.02134%0.337CS..Hα-helixtrans-67.9-34.4-178.2-173.768.1000111.7F48 F49 I52 L59 P60 W61 G91 F106F48-L94 HydrophobicContact CE1-CD2 4.5Å; F49-L94 HydrophobicContact CD1-CD1 4.38Å; F49-L94 HydrophobicContact CD1-CD2 4.35Å; F49-L94 HydrophobicContact CE1-CD2 3.94Å; I52-L94 HydrophobicContact CD1-CD1 3.87Å; I52-L94 HydrophobicContact CD1-CD2 3.98Å; I52-L94 HydrophobicContact CD1-CG 3.7Å; I52-L94 HydrophobicContact CG2-CD1 4.27Å; L59-L94 HydrophobicContact CD2-CD1 3.99Å; P60-L94 HydrophobicContact CG-CD1 4.14Å; W61-L94 HydrophobicContact CH2-CD1 4.23Å; W61-L94 HydrophobicContact CZ3-CD1 4.1Å; G91-L94 CarbonylContact O-C 3.57Å; G91-L94 WeakPolarHBondContact O-CA 3.47Å; G91-L94 WeakPolarHBondContact O-CB 3.32Å; G91-L94 PolarHBondContact O-N 3.27Å; L94-F106 HydrophobicContact CD2-CD2 4.39Å; L94-F106 HydrophobicContact CD2-CE2 4.3Å
95L97.2Very high96.5Very high15 Ų1565.4 Ų65.48%0.07932%0.324CS..Hα-helixtrans-104.12.9-172.8-57.2178.2000113.4F48 I52 G91 E93 K97 V98 N103 F106F48-L95 HydrophobicContact CE1-CD2 4.13Å; F48-L95 HydrophobicContact CZ-CD2 3.81Å; I52-L95 HydrophobicContact CD1-CD2 4.46Å; G91-L95 WeakPolarHBondContact O-CB 3.5Å; G91-L95 WeakPolarHBondContact O-CG 3.42Å; G91-L95 PolarHBondContact O-N 3.4Å; E93-L95 VanDerWaalsContact C-N 3.33Å; E93-L95 PolarHBondContact O-N 3.15Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 2.74Å; L95-V98 HydrophobicContact CB-CG2 4.15Å; L95-V98 HydrophobicContact CD2-CG2 4.02Å; L95-V98 WeakPolarHBondContact O-CG2 3.32Å; L95-N103 VanDerWaalsContact CD1-OD1 3.28Å; L95-N103 WeakPolarHBondContact CD1-OD1 3.5Å; L95-F106 HydrophobicContact CD1-CB 3.82Å; L95-F106 HydrophobicContact CD1-CD1 4.04Å; L95-F106 HydrophobicContact CD1-CD2 4.16Å; L95-F106 HydrophobicContact CD1-CG 3.75Å; L95-F106 HydrophobicContact CD2-CB 4.39Å
96R95.5Very high96.5Very high176 Ų17662.7 Ų62.766%0.66430%0.302SS*.THydrogen-bonded Turntrans-58.9-33.2-172.5-171.5174.260.396.6-7.5115.6E92E92-R96 WeakPolarHBondContact O-CB 3.33Å; E92-R96 PolarHBondContact O-N 3.48Å
97K95.5Very high96.6Very high132 Ų13265.7 Ų65.757%0.57432%0.318SS*.THydrogen-bonded Turntrans-121.915.7-171.9-70-174.5175.9-179.60113.8T56 L95T56-K97 HydrophobicContact CG2-CB 3.84Å; L95-K97 VanDerWaalsContact C-N 3.31Å; L95-K97 PolarHBondContact O-N 2.74Å
98V96.9Very high96.5Very high19 Ų1966.1 Ų66.112%0.11532%0.322CS..SBendtrans-104.9162.9-179.7-58.30000111I52 T55 T56 L95 Y102I52-V98 HydrophobicContact CG1-CG1 4.28Å; I52-V98 HydrophobicContact CG2-CG1 4.2Å; T55-V98 HydrophobicContact CG2-CB 4.34Å; T55-V98 HydrophobicContact CG2-CG1 4.06Å; T56-V98 HydrophobicContact CG2-CG1 3.64Å; L95-V98 HydrophobicContact CB-CG2 4.15Å; L95-V98 HydrophobicContact CD2-CG2 4.02Å; L95-V98 WeakPolarHBondContact O-CG2 3.32Å; V98-Y102 HydrophobicContact CB-CD2 3.61Å; V98-Y102 HydrophobicContact CB-CE2 4.12Å; V98-Y102 HydrophobicContact CB-CG 3.97Å; V98-Y102 HydrophobicContact CG1-CD2 3.91Å; V98-Y102 HydrophobicContact CG1-CE2 4.17Å; V98-Y102 HydrophobicContact CG2-CD2 3.73Å; V98-Y102 HydrophobicContact CG2-CG 3.86Å
99P96.6Very high96.6Very high28 Ų2860.2 Ų60.218%0.18229%0.294CS..  trans-54.1141.1170.5-26.835000111.9E101 Y102 V130P99-E101 PolarHBondContact O-N 3.03Å; P99-Y102 HydrophobicContact CB-CD1 4.3Å; P99-Y102 HydrophobicContact CG-CD1 4.47Å; P99-Y102 HydrophobicContact CG-CE1 4.31Å; P99-Y102 WeakPolarHBondContact O-CB 3.48Å; P99-Y102 PolarHBondContact O-N 3.35Å; P99-V130 HydrophobicContact CB-CG1 4.07Å; P99-V130 HydrophobicContact CB-CG2 3.89Å; P99-V130 HydrophobicContact CG-CG1 3.86Å; P99-V130 HydrophobicContact CG-CG2 4.35Å
100K96.2Very high96.6Very high155 Ų15561.8 Ų61.867%0.67429%0.287SS*.THydrogen-bonded Turntrans-57.1-25-177.266.3-177.6178.2-175.80113.2Y102 N103K100-Y102 PolarHBondContact O-N 3.32Å; K100-N103 VanDerWaalsContact O-CB 3.29Å; K100-N103 WeakPolarHBondContact O-CB 3.26Å; K100-N103 PolarHBondContact O-N 2.97Å; K100-N103 VanDerWaalsContact O-N 3.16Å; K100-N103 PolarHBondContact O-ND2 2.97Å
101E97.1Very high96.7Very high13 Ų1361.2 Ų61.26%0.06129%0.289CS..THydrogen-bonded Turntrans-63.6-24.5176.7-66.765.2-147.100112.4P99 N103 K104 V130P99-E101 PolarHBondContact O-N 3.03Å; E101-N103 PolarHBondContact O-N 3.25Å; E101-K104 VanDerWaalsContact O-CB 3.26Å; E101-K104 WeakPolarHBondContact O-CB 3.44Å; E101-K104 PolarHBondContact O-N 3.47Å; E101-V130 HydrophobicContact CB-CG2 3.61Å; E101-V130 HydrophobicContact CG-CG2 4.01Å
102Y97.8Very high96.8Very high19 Ų1962 Ų628%0.07529%0.293CS..Hα-helixtrans-63.2-26.1175.5-8135.2000111.7F48 I51 I52 T55 V98 P99 K100 K104 I105 F106 V130F48-Y102 AromaticContact CE2-CD2 3.79Å; F48-Y102 HydrophobicContact CE2-CD2 3.79Å; F48-Y102 HydrophobicContact CE2-CE2 4.45Å; F48-Y102 HydrophobicContact CE2-CG 4.17Å; F48-Y102 HydrophobicContact CZ-CD2 4.25Å; I51-Y102 HydrophobicContact CD1-CE1 4.47Å; I51-Y102 HydrophobicContact CD1-CE2 3.78Å; I51-Y102 HydrophobicContact CG1-CE2 3.86Å; I52-Y102 HydrophobicContact CG1-CD2 4.04Å; I52-Y102 HydrophobicContact CG1-CE2 4.16Å; T55-Y102 PolarHBondContact OG1-OH 3.15Å; V98-Y102 HydrophobicContact CB-CD2 3.61Å; V98-Y102 HydrophobicContact CB-CE2 4.12Å; V98-Y102 HydrophobicContact CB-CG 3.97Å; V98-Y102 HydrophobicContact CG1-CD2 3.91Å; V98-Y102 HydrophobicContact CG1-CE2 4.17Å; V98-Y102 HydrophobicContact CG2-CD2 3.73Å; V98-Y102 HydrophobicContact CG2-CG 3.86Å; P99-Y102 HydrophobicContact CB-CD1 4.3Å; P99-Y102 HydrophobicContact CG-CD1 4.47Å; P99-Y102 HydrophobicContact CG-CE1 4.31Å; P99-Y102 WeakPolarHBondContact O-CB 3.48Å; P99-Y102 PolarHBondContact O-N 3.35Å; K100-Y102 PolarHBondContact O-N 3.32Å; Y102-K104 PolarHBondContact O-N 3.15Å; Y102-I105 HydrophobicContact CD1-CD1 4.46Å; Y102-I105 WeakPolarHBondContact O-CB 3.42Å; Y102-I105 PolarHBondContact O-N 3.33Å; Y102-I105 VanDerWaalsContact O-N 3.1Å; Y102-F106 PolarHBondContact O-N 2.89Å; Y102-V130 HydrophobicContact CD1-CG2 4.28Å; Y102-V130 HydrophobicContact CE1-CG2 4.15Å
103N97.4Very high96.8Very high63 Ų6359.5 Ų59.534%0.33728%0.281SS..Hα-helixtrans-58.3-35.8171.3-66.4-71.9000111.8L95 K100 E101 I105 F106 N107L95-N103 VanDerWaalsContact CD1-OD1 3.28Å; L95-N103 WeakPolarHBondContact CD1-OD1 3.5Å; K100-N103 VanDerWaalsContact O-CB 3.29Å; K100-N103 WeakPolarHBondContact O-CB 3.26Å; K100-N103 PolarHBondContact O-N 2.97Å; K100-N103 VanDerWaalsContact O-N 3.16Å; K100-N103 PolarHBondContact O-ND2 2.97Å; E101-N103 PolarHBondContact O-N 3.25Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 3.33Å; N103-F106 PolarHBondContact O-N 3.14Å; N103-N107 VanDerWaalsContact O-CB 3.3Å; N103-N107 WeakPolarHBondContact O-CB 3.17Å; N103-N107 PolarHBondContact O-N 3.21Å; N103-N107 PolarHBondContact O-ND2 3.24Å
104K96.9Very high96.8Very high99 Ų9954.6 Ų54.643%0.4326%0.258SS..Hα-helixtrans-65.4-39.2177.3-58.6178.8-179.1174.40111.3E101 Y102 S108 A126E101-K104 VanDerWaalsContact O-CB 3.26Å; E101-K104 WeakPolarHBondContact O-CB 3.44Å; E101-K104 PolarHBondContact O-N 3.47Å; Y102-K104 PolarHBondContact O-N 3.15Å; K104-S108 WeakPolarHBondContact O-CB 3.11Å; K104-S108 PolarHBondContact O-N 2.58Å; K104-S108 VanDerWaalsContact O-N 3.12Å; K104-S108 PolarHBondContact O-OG 2.66Å; K104-A126 HydrophobicContact CB-CB 4.19Å; K104-A126 HydrophobicContact CD-CB 4.5Å
105I98Very high96.6Very high0 Ų057 Ų570%028%0.278CS..Hα-helixtrans-65.8-53.9175.6-57.4174.9000109W47 F48 Y102 N103 N107 S108 L109 I123 A126 L127W47-I105 HydrophobicContact CH2-CD1 4.3Å; W47-I105 HydrophobicContact CZ3-CG2 4.16Å; F48-I105 HydrophobicContact CD2-CB 4.3Å; F48-I105 HydrophobicContact CD2-CG2 3.58Å; F48-I105 HydrophobicContact CE2-CB 3.83Å; F48-I105 HydrophobicContact CE2-CD1 4.31Å; F48-I105 HydrophobicContact CE2-CG2 3.64Å; F48-I105 HydrophobicContact CG-CG2 4.25Å; F48-I105 HydrophobicContact CZ-CB 4.35Å; F48-I105 HydrophobicContact CZ-CG2 4.32Å; Y102-I105 HydrophobicContact CD1-CD1 4.46Å; Y102-I105 WeakPolarHBondContact O-CB 3.42Å; Y102-I105 PolarHBondContact O-N 3.33Å; Y102-I105 VanDerWaalsContact O-N 3.1Å; N103-I105 VanDerWaalsContact C-N 3.33Å; N103-I105 PolarHBondContact O-N 3.33Å; I105-N107 PolarHBondContact O-N 2.82Å; I105-S108 WeakPolarHBondContact O-CA 3.29Å; I105-S108 WeakPolarHBondContact O-CB 3.41Å; I105-S108 PolarHBondContact O-N 2.67Å; I105-L109 HydrophobicContact CG2-CD1 4.08Å; I105-L109 HydrophobicContact CG2-CG 4.31Å; I105-L109 WeakPolarHBondContact O-CG 3.48Å; I105-L109 PolarHBondContact O-N 3.45Å; I105-I123 HydrophobicContact CD1-CG2 4.31Å; I105-I123 HydrophobicContact CG1-CG2 4.36Å; I105-I123 HydrophobicContact CG2-CG1 4.38Å; I105-I123 HydrophobicContact CG2-CG2 4.33Å; I105-A126 HydrophobicContact CD1-CB 4.13Å; I105-A126 HydrophobicContact CG1-CB 3.66Å; I105-L127 HydrophobicContact CD1-CD2 4.1Å; I105-L127 HydrophobicContact CD1-CG 4.39Å
106F98.3Very high96.5Very high1 Ų159.4 Ų59.40%0.00429%0.292CS..Hα-helixtrans-53.3-50179.6178.6-93.8000112.4W45 F48 I87 L94 L95 Y102 N103 S108 L109 K110W45-F106 AromaticContact CH2-CD2 3.99Å; W45-F106 HydrophobicContact CH2-CD2 3.99Å; W45-F106 HydrophobicContact CH2-CE2 4.03Å; W45-F106 HydrophobicContact CZ3-CD2 4.13Å; W45-F106 HydrophobicContact CZ3-CE2 4.31Å; F48-F106 HydrophobicContact CE1-CB 4.02Å; F48-F106 HydrophobicContact CE1-CD2 4.08Å; F48-F106 HydrophobicContact CZ-CB 4.11Å; I87-F106 HydrophobicContact CB-CE2 4.46Å; I87-F106 HydrophobicContact CB-CZ 4.48Å; I87-F106 HydrophobicContact CG1-CE2 4.15Å; I87-F106 HydrophobicContact CG2-CE2 4.38Å; I87-F106 HydrophobicContact CG2-CZ 4.24Å; I87-F106 WeakPolarHBondContact O-CZ 3.37Å; L94-F106 HydrophobicContact CD2-CD2 4.39Å; L94-F106 HydrophobicContact CD2-CE2 4.3Å; L95-F106 HydrophobicContact CD1-CB 3.82Å; L95-F106 HydrophobicContact CD1-CD1 4.04Å; L95-F106 HydrophobicContact CD1-CD2 4.16Å; L95-F106 HydrophobicContact CD1-CG 3.75Å; L95-F106 HydrophobicContact CD2-CB 4.39Å; Y102-F106 PolarHBondContact O-N 2.89Å; N103-F106 PolarHBondContact O-N 3.14Å; F106-S108 PolarHBondContact O-N 2.88Å; F106-L109 PolarHBondContact O-N 3.17Å; F106-K110 HydrophobicContact CE1-CD 4.21Å; F106-K110 PolarHBondContact O-N 3.11Å
107N97.2Very high96.5Very high94 Ų9458.3 Ų58.350%0.50329%0.291SS..Hα-helixtrans-63.9-28.9178.4-70.7-22000112.9N103 I105 P111N103-N107 VanDerWaalsContact O-CB 3.3Å; N103-N107 WeakPolarHBondContact O-CB 3.17Å; N103-N107 PolarHBondContact O-N 3.21Å; N103-N107 PolarHBondContact O-ND2 3.24Å; I105-N107 PolarHBondContact O-N 2.82Å; N107-P111 WeakPolarHBondContact O-CD 3.27Å
108S96.9Very high96.5Very high18 Ų1852.1 Ų52.113%0.12627%0.265CS..Hα-helixtrans-74.7-27.8173.8-64.40000113K104 I105 F106 L112 H122K104-S108 WeakPolarHBondContact O-CB 3.11Å; K104-S108 PolarHBondContact O-N 2.58Å; K104-S108 VanDerWaalsContact O-N 3.12Å; K104-S108 PolarHBondContact O-OG 2.66Å; I105-S108 WeakPolarHBondContact O-CA 3.29Å; I105-S108 WeakPolarHBondContact O-CB 3.41Å; I105-S108 PolarHBondContact O-N 2.67Å; F106-S108 PolarHBondContact O-N 2.88Å; S108-L112 WeakPolarHBondContact O-CG 3.38Å; S108-H122 PolarHBondContact OG-CD2 3.08Å
109L97.6Very high96.5Very high0 Ų053.2 Ų53.20%027%0.272CS..Hα-helixtrans-87.4-37.8-179.1-60.4-176.7000113.1I44 W45 F48 I105 F106 P111 L112 I123I44-L109 HydrophobicContact CB-CD2 4.04Å; I44-L109 HydrophobicContact CG2-CD1 3.91Å; I44-L109 HydrophobicContact CG2-CD2 3.36Å; I44-L109 HydrophobicContact CG2-CG 4.27Å; W45-L109 HydrophobicContact CD2-CB 4.31Å; W45-L109 HydrophobicContact CD2-CD1 4.17Å; W45-L109 HydrophobicContact CE3-CD1 4.08Å; W45-L109 HydrophobicContact CH2-CB 3.86Å; W45-L109 HydrophobicContact CZ2-CB 3.5Å; W45-L109 VanDerWaalsContact CZ2-CB 3.5Å; W45-L109 HydrophobicContact CZ3-CB 4.4Å; W45-L109 HydrophobicContact CZ3-CD1 4.28Å; F48-L109 HydrophobicContact CB-CD1 3.93Å; F48-L109 HydrophobicContact CD1-CD1 4.14Å; F48-L109 HydrophobicContact CG-CD1 4.04Å; I105-L109 HydrophobicContact CG2-CD1 4.08Å; I105-L109 HydrophobicContact CG2-CG 4.31Å; I105-L109 WeakPolarHBondContact O-CG 3.48Å; I105-L109 PolarHBondContact O-N 3.45Å; F106-L109 PolarHBondContact O-N 3.17Å; L109-P111 VanDerWaalsContact C-CD 3.44Å; L109-L112 HydrophobicContact CD2-CD1 3.84Å; L109-L112 WeakPolarHBondContact O-CB 3.49Å; L109-L112 PolarHBondContact O-N 3.31Å; L109-I123 HydrophobicContact CD2-CD1 4.1Å
110K96.8Very high96.5Very high79 Ų7956.8 Ų56.834%0.34328%0.283SS..THydrogen-bonded Turntrans-47.4-45.7-176.6-168.4178.3-174-177.60114.3I87 Q88 D90 F106I87-K110 HydrophobicContact CG2-CG 4.13Å; I87-K110 VanDerWaalsContact O-CE 3.25Å; I87-K110 WeakPolarHBondContact O-CE 3.24Å; Q88-K110 PolarHBondContact O-NZ 3.32Å; D90-K110 IonicContact OD1-NZ 3.71Å; D90-K110 PolarHBondContact OD1-NZ 2.94Å; F106-K110 HydrophobicContact CE1-CD 4.21Å; F106-K110 PolarHBondContact O-N 3.11Å
111P96.7Very high96.6Very high82 Ų8253.5 Ų53.553%0.53228%0.279SS..THydrogen-bonded Turntrans-82.4-11.2-17732.7-36.6000114.5N107 L109 Q113N107-P111 WeakPolarHBondContact O-CD 3.27Å; L109-P111 VanDerWaalsContact C-CD 3.44Å; P111-Q113 PolarHBondContact O-N 3.17Å; P111-Q113 PolarHBondContact O-NE2 3.36Å
112L96.9Very high96.5Very high16 Ų1656.9 Ų56.98%0.08430%0.295CS..  trans-62.7128.2-169.6-66.7178.7000112.3R41 S108 L109 D116 P118R41-L112 HydrophobicContact CB-CB 3.87Å; R41-L112 HydrophobicContact CB-CD1 4.06Å; R41-L112 WeakPolarHBondContact CD-O 3.48Å; R41-L112 PolarHBondContact NH1-O 3.31Å; S108-L112 WeakPolarHBondContact O-CG 3.38Å; L109-L112 HydrophobicContact CD2-CD1 3.84Å; L109-L112 WeakPolarHBondContact O-CB 3.49Å; L109-L112 PolarHBondContact O-N 3.31Å; L112-D116 HydrophobicContact CD2-CB 3.9Å; L112-P118 HydrophobicContact CD1-CB 4.18Å; L112-P118 HydrophobicContact CD1-CG 4.38Å
113Q95.4Very high96.5Very high109 Ų10956.5 Ų56.551%0.50929%0.294SS..  trans-94.4168.3172.7-56.8-51.8-48.800111.8R41 P111 A115 D116R41-Q113 VanDerWaalsContact NH1-CA 3.29Å; P111-Q113 PolarHBondContact O-N 3.17Å; P111-Q113 PolarHBondContact O-NE2 3.36Å; Q113-A115 VanDerWaalsContact C-N 3.26Å; Q113-A115 PolarHBondContact O-N 3.04Å; Q113-D116 WeakPolarHBondContact CA-OD2 3.38Å; Q113-D116 WeakPolarHBondContact CB-OD2 3.07Å; Q113-D116 PolarHBondContact N-OD2 3.16Å; Q113-D116 WeakPolarHBondContact O-CB 3.3Å; Q113-D116 PolarHBondContact O-N 3.46Å; Q113-D116 VanDerWaalsContact O-N 3.08Å
114F94.7Very high96.5Very high25 Ų2560.2 Ų60.211%0.1131%0.305CS..THydrogen-bonded Turntrans-53.8-40.9-176168-114.1000113.4H12 R13 A15 E37 Q38H12-F114 AromaticContact CE1-CD1 3.72Å; H12-F114 AromaticContact CE1-CE1 3.3Å; H12-F114 WeakPolarHBondContact CE1-CE1 3.48Å; H12-F114 AromaticContact CE1-CZ 3.47Å; H12-F114 VanDerWaalsContact CE1-CZ 3.47Å; H12-F114 WeakPolarHBondContact CE1-CZ 3.27Å; H12-F114 AromaticContact ND1-CE1 3.58Å; R13-F114 WeakPolarHBondContact O-CE1 3.44Å; A15-F114 HydrophobicContact CB-CD1 3.72Å; A15-F114 HydrophobicContact CB-CE1 3.79Å; A15-F114 HydrophobicContact CB-CG 4.28Å; A15-F114 HydrophobicContact CB-CZ 4.46Å; E37-F114 HydrophobicContact CB-CD2 4.29Å; E37-F114 HydrophobicContact CB-CE2 4.11Å; E37-F114 HydrophobicContact CB-CZ 4.43Å; E37-F114 HydrophobicContact CG-CD2 3.95Å; E37-F114 HydrophobicContact CG-CE1 4.28Å; E37-F114 HydrophobicContact CG-CE2 3.28Å; E37-F114 HydrophobicContact CG-CZ 3.45Å; E37-F114 VanDerWaalsContact CG-CZ 3.45Å; E37-F114 WeakPolarHBondContact O-CD2 3.47Å; Q38-F114 WeakPolarHBondContact O-CE2 3.43Å
115A93.8Very high96.5Very high54 Ų5459.7 Ų59.745%0.44631%0.306SS..THydrogen-bonded Turntrans-83-12.2-177.200000113.9R40 Q113R40-A115 PolarHBondContact NH2-O 3.46Å; Q113-A115 VanDerWaalsContact C-N 3.26Å; Q113-A115 PolarHBondContact O-N 3.04Å
116D95.2Very high96.5Very high66 Ų6659.8 Ų59.835%0.35331%0.307SS..PPolyproline II helixtrans-70.2150.5-170.8-66.5-17.6000111.7R40 L112 Q113R40-D116 PolarHBondContact NE-O 3.45Å; R40-D116 VanDerWaalsContact NH2-C 3.29Å; R40-D116 PolarHBondContact NH2-O 2.95Å; L112-D116 HydrophobicContact CD2-CB 3.9Å; Q113-D116 WeakPolarHBondContact CA-OD2 3.38Å; Q113-D116 WeakPolarHBondContact CB-OD2 3.07Å; Q113-D116 PolarHBondContact N-OD2 3.16Å; Q113-D116 WeakPolarHBondContact O-CB 3.3Å; Q113-D116 PolarHBondContact O-N 3.46Å; Q113-D116 VanDerWaalsContact O-N 3.08Å
117K94.3Very high96.3Very high152 Ų15262 Ų6266%0.66132%0.318SS*.PPolyproline II helixtrans-88.7119.6169.9-179.9-176.7174.7-177.20107.5Y120K117-Y120 HydrophobicContact CG-CE2 4.18Å
118P96.1Very high96.3Very high2 Ų260 Ų601%0.01331%0.307CS..PPolyproline II helixtrans-56.9141.9174.4-25.334.3000111.6R40 I44 L112 Y120R40-P118 HydrophobicContact CB-CG 3.76Å; I44-P118 HydrophobicContact CG1-CB 4.05Å; I44-P118 HydrophobicContact CG1-CG 4.02Å; L112-P118 HydrophobicContact CD1-CB 4.18Å; L112-P118 HydrophobicContact CD1-CG 4.38Å; P118-Y120 HydrophobicContact CB-CD1 4.33Å; P118-Y120 HydrophobicContact CB-CE1 3.93Å; P118-Y120 HydrophobicContact CB-CE2 4.16Å; P118-Y120 HydrophobicContact CG-CE1 4.25Å; P118-Y120 HydrophobicContact CG-CE2 4.39Å; P118-Y120 WeakPolarHBondContact O-CD2 3.38Å; P118-Y120 WeakPolarHBondContact O-CE2 3.43Å; P118-Y120 PolarHBondContact O-N 2.76Å
119P96.3Very high96.2Very high42 Ų4261 Ų6127%0.27332%0.315SS..  trans-78.568.4179.933-36.1000110.8S121 H122 I123P119-S121 VanDerWaalsContact C-N 3.25Å; P119-S121 PolarHBondContact O-N 2.91Å; P119-S121 VanDerWaalsContact O-N 3.15Å; P119-H122 HydrophobicContact CB-CB 4.01Å; P119-H122 HydrophobicContact CG-CB 4.46Å; P119-H122 WeakPolarHBondContact O-CB 3.28Å; P119-H122 PolarHBondContact O-N 3.49Å; P119-I123 PolarHBondContact O-N 3.08Å; P119-I123 VanDerWaalsContact O-N 3.15Å
120Y97.4Very high96.2Very high104 Ų10462.2 Ų62.241%0.40832%0.322SS..Hα-helixtrans-52.7-39.2-173.5-59.6-75000113.8I44 K117 P118 I123 Y124I44-Y120 HydrophobicContact CD1-CD1 4.47Å; I44-Y120 HydrophobicContact CD1-CE1 3.9Å; I44-Y120 HydrophobicContact CG1-CE1 4.44Å; K117-Y120 HydrophobicContact CG-CE2 4.18Å; P118-Y120 HydrophobicContact CB-CD1 4.33Å; P118-Y120 HydrophobicContact CB-CE1 3.93Å; P118-Y120 HydrophobicContact CB-CE2 4.16Å; P118-Y120 HydrophobicContact CG-CE1 4.25Å; P118-Y120 HydrophobicContact CG-CE2 4.39Å; P118-Y120 WeakPolarHBondContact O-CD2 3.38Å; P118-Y120 WeakPolarHBondContact O-CE2 3.43Å; P118-Y120 PolarHBondContact O-N 2.76Å; Y120-I123 PolarHBondContact O-N 2.72Å; Y120-Y124 WeakPolarHBondContact O-CB 3.29Å; Y120-Y124 PolarHBondContact O-N 3.32Å
121S97.3Very high96.1Very high86 Ų8662.7 Ų62.760%0.60132%0.323SS*.Hα-helixtrans-65-38.7177.250.90000112.5P119 Y124 N125P119-S121 VanDerWaalsContact C-N 3.25Å; P119-S121 PolarHBondContact O-N 2.91Å; P119-S121 VanDerWaalsContact O-N 3.15Å; S121-Y124 PolarHBondContact O-N 2.9Å; S121-N125 WeakPolarHBondContact O-CB 3.5Å; S121-N125 PolarHBondContact O-N 3.25Å; S121-N125 PolarHBondContact O-ND2 3.19Å
122H96.5Very high96Very high83 Ų8363.5 Ų63.538%0.38433%0.33SS..Hα-helixtrans-64.4-46.1176.2-166.9124.7000110.6S108 P119 Y124 N125 A126S108-H122 PolarHBondContact OG-CD2 3.08Å; P119-H122 HydrophobicContact CB-CB 4.01Å; P119-H122 HydrophobicContact CG-CB 4.46Å; P119-H122 WeakPolarHBondContact O-CB 3.28Å; P119-H122 PolarHBondContact O-N 3.49Å; H122-Y124 VanDerWaalsContact C-N 3.35Å; H122-Y124 PolarHBondContact O-N 3.39Å; H122-N125 PolarHBondContact O-N 3.21Å; H122-A126 WeakPolarHBondContact O-CB 3.37Å; H122-A126 PolarHBondContact O-N 3.26Å
123I97.4Very high95.9Very high11 Ų1165.6 Ų65.66%0.05635%0.346CS..Hα-helixtrans-59.4-48.2177.9-61.2171.4000110.1I44 W47 I105 L109 P119 Y120 N125 A126 L127I44-I123 HydrophobicContact CG2-CD1 3.73Å; W47-I123 HydrophobicContact CH2-CG2 3.38Å; W47-I123 HydrophobicContact CZ2-CG2 4.48Å; W47-I123 HydrophobicContact CZ3-CG2 3.51Å; I105-I123 HydrophobicContact CD1-CG2 4.31Å; I105-I123 HydrophobicContact CG1-CG2 4.36Å; I105-I123 HydrophobicContact CG2-CG1 4.38Å; I105-I123 HydrophobicContact CG2-CG2 4.33Å; L109-I123 HydrophobicContact CD2-CD1 4.1Å; P119-I123 PolarHBondContact O-N 3.08Å; P119-I123 VanDerWaalsContact O-N 3.15Å; Y120-I123 PolarHBondContact O-N 2.72Å; I123-N125 PolarHBondContact O-N 2.86Å; I123-A126 WeakPolarHBondContact O-CB 3.34Å; I123-A126 PolarHBondContact O-N 2.89Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.27Å
124Y96.7Very high95.8Very high142 Ų14266.2 Ų66.256%0.55735%0.349SS*.Hα-helixtrans-59.3-45.6177.3-178.6-104.9000112.5Y120 S121 H122 A126 L127 L128Y120-Y124 WeakPolarHBondContact O-CB 3.29Å; Y120-Y124 PolarHBondContact O-N 3.32Å; S121-Y124 PolarHBondContact O-N 2.9Å; H122-Y124 VanDerWaalsContact C-N 3.35Å; H122-Y124 PolarHBondContact O-N 3.39Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 2.89Å; Y124-L127 WeakPolarHBondContact O-CB 3.46Å; Y124-L127 PolarHBondContact O-N 3.1Å; Y124-L127 VanDerWaalsContact O-N 3.17Å; Y124-L128 HydrophobicContact CD1-CD1 3.95Å; Y124-L128 HydrophobicContact CD1-CG 4.34Å; Y124-L128 HydrophobicContact CE1-CD1 3.39Å; Y124-L128 HydrophobicContact CE1-CG 3.95Å; Y124-L128 PolarHBondContact O-N 3.19Å
125N97.1Very high95.7Very high88 Ų8868.5 Ų68.547%0.47138%0.38SS..Hα-helixtrans-65.9-33.1177.9-70-18000112.7S121 H122 I123 L128 S129S121-N125 WeakPolarHBondContact O-CB 3.5Å; S121-N125 PolarHBondContact O-N 3.25Å; S121-N125 PolarHBondContact O-ND2 3.19Å; H122-N125 PolarHBondContact O-N 3.21Å; I123-N125 PolarHBondContact O-N 2.86Å; N125-L128 PolarHBondContact O-N 3.21Å; N125-S129 WeakPolarHBondContact O-CB 3.36Å; N125-S129 PolarHBondContact O-N 3.46Å; N125-S129 PolarHBondContact O-OG 3.18Å
126A97.1Very high95.6Very high2 Ų269.5 Ų69.52%0.01738%0.377CS..Hα-helixtrans-64.2-42.3172.400000111.1K104 I105 H122 I123 Y124 S129 V130K104-A126 HydrophobicContact CB-CB 4.19Å; K104-A126 HydrophobicContact CD-CB 4.5Å; I105-A126 HydrophobicContact CD1-CB 4.13Å; I105-A126 HydrophobicContact CG1-CB 3.66Å; H122-A126 WeakPolarHBondContact O-CB 3.37Å; H122-A126 PolarHBondContact O-N 3.26Å; I123-A126 WeakPolarHBondContact O-CB 3.34Å; I123-A126 PolarHBondContact O-N 2.89Å; Y124-A126 VanDerWaalsContact C-N 3.31Å; Y124-A126 PolarHBondContact O-N 2.89Å; A126-S129 WeakPolarHBondContact O-CB 3.04Å; A126-S129 PolarHBondContact O-N 3.43Å; A126-V130 PolarHBondContact O-N 3.49Å; A126-V130 VanDerWaalsContact O-N 3.16Å
127L95.8Very high95.4Very high46 Ų4669.4 Ų69.424%0.24138%0.381CS..Hα-helixtrans-63.6-44.2174.4-64.2170.8000112.1W47 I51 I105 I123 Y124 S129 V130 Y131W47-L127 HydrophobicContact CH2-CD1 4.01Å; W47-L127 HydrophobicContact CH2-CD2 4.36Å; W47-L127 HydrophobicContact CH2-CG 4.49Å; W47-L127 HydrophobicContact CZ2-CD1 3.87Å; W47-L127 HydrophobicContact CZ2-CD2 4.43Å; I51-L127 HydrophobicContact CD1-CD2 4.43Å; I105-L127 HydrophobicContact CD1-CD2 4.1Å; I105-L127 HydrophobicContact CD1-CG 4.39Å; I123-L127 WeakPolarHBondContact O-CG 3.48Å; I123-L127 PolarHBondContact O-N 3.27Å; Y124-L127 WeakPolarHBondContact O-CB 3.46Å; Y124-L127 PolarHBondContact O-N 3.1Å; Y124-L127 VanDerWaalsContact O-N 3.17Å; L127-S129 VanDerWaalsContact C-N 3.25Å; L127-S129 PolarHBondContact O-N 2.91Å; L127-V130 VanDerWaalsContact O-CB 3.32Å; L127-V130 WeakPolarHBondContact O-CB 3.23Å; L127-V130 PolarHBondContact O-N 3.16Å; L127-V130 VanDerWaalsContact O-N 3.08Å; L127-Y131 VanDerWaalsContact O-CD2 3.3Å; L127-Y131 WeakPolarHBondContact O-CD2 2.94Å; L127-Y131 PolarHBondContact O-N 2.53Å
128L95.7Very high95.2Very high52 Ų5266 Ų6627%0.27238%0.375SS..Hα-helixtrans-60-37.2174-70.9-176.7000112.2Y124 N125 V130 Y131 S132 P138Y124-L128 HydrophobicContact CD1-CD1 3.95Å; Y124-L128 HydrophobicContact CD1-CG 4.34Å; Y124-L128 HydrophobicContact CE1-CD1 3.39Å; Y124-L128 HydrophobicContact CE1-CG 3.95Å; Y124-L128 PolarHBondContact O-N 3.19Å; N125-L128 PolarHBondContact O-N 3.21Å; L128-V130 VanDerWaalsContact C-N 3.26Å; L128-V130 PolarHBondContact O-N 3.09Å; L128-Y131 WeakPolarHBondContact O-CB 3.23Å; L128-Y131 PolarHBondContact O-N 2.72Å; L128-S132 PolarHBondContact O-N 3.46Å; L128-S132 PolarHBondContact O-OG 3.23Å; L128-P138 HydrophobicContact CD2-CG 4.28Å
129S96.4Very high94.9Very high41 Ų4176.8 Ų76.829%0.28742%0.415SS..Hα-helixtrans-62.8-33.5175.7-58.90000111.9N125 A126 L127 S132 S133N125-S129 WeakPolarHBondContact O-CB 3.36Å; N125-S129 PolarHBondContact O-N 3.46Å; N125-S129 PolarHBondContact O-OG 3.18Å; A126-S129 WeakPolarHBondContact O-CB 3.04Å; A126-S129 PolarHBondContact O-N 3.43Å; L127-S129 VanDerWaalsContact C-N 3.25Å; L127-S129 PolarHBondContact O-N 2.91Å; S129-S132 PolarHBondContact O-N 2.82Å; S129-S133 VanDerWaalsContact O-CB 3.29Å; S129-S133 WeakPolarHBondContact O-CB 3.5Å; S129-S133 PolarHBondContact O-N 3.39Å; S129-S133 PolarHBondContact O-OG 3.29Å
130V96.1Very high94.5Very high25 Ų2580.1 Ų80.115%0.15243%0.427CS..Hα-helixtrans-61.1-52.4173.5177.30000110P99 E101 Y102 A126 L127 L128 S132 S133 Q134P99-V130 HydrophobicContact CB-CG1 4.07Å; P99-V130 HydrophobicContact CB-CG2 3.89Å; P99-V130 HydrophobicContact CG-CG1 3.86Å; P99-V130 HydrophobicContact CG-CG2 4.35Å; E101-V130 HydrophobicContact CB-CG2 3.61Å; E101-V130 HydrophobicContact CG-CG2 4.01Å; Y102-V130 HydrophobicContact CD1-CG2 4.28Å; Y102-V130 HydrophobicContact CE1-CG2 4.15Å; A126-V130 PolarHBondContact O-N 3.49Å; A126-V130 VanDerWaalsContact O-N 3.16Å; L127-V130 VanDerWaalsContact O-CB 3.32Å; L127-V130 WeakPolarHBondContact O-CB 3.23Å; L127-V130 PolarHBondContact O-N 3.16Å; L127-V130 VanDerWaalsContact O-N 3.08Å; L128-V130 VanDerWaalsContact C-N 3.26Å; L128-V130 PolarHBondContact O-N 3.09Å; V130-S132 VanDerWaalsContact C-N 3.35Å; V130-S132 PolarHBondContact O-N 2.81Å; V130-S133 PolarHBondContact O-N 3.1Å; V130-S133 PolarHBondContact O-OG 3.23Å; V130-Q134 WeakPolarHBondContact O-CG 3.33Å; V130-Q134 PolarHBondContact O-N 3.02Å; V130-Q134 VanDerWaalsContact O-N 3.12Å
131Y95.3Very high94.3Very high89 Ų8978.1 Ų78.135%0.34943%0.427SS..Hα-helixtrans-53.4-51.2177.3-77.6-75000111.7L127 L128 S133 Q134 G135 I136 P138L127-Y131 VanDerWaalsContact O-CD2 3.3Å; L127-Y131 WeakPolarHBondContact O-CD2 2.94Å; L127-Y131 PolarHBondContact O-N 2.53Å; L128-Y131 WeakPolarHBondContact O-CB 3.23Å; L128-Y131 PolarHBondContact O-N 2.72Å; Y131-S133 PolarHBondContact O-N 3.13Å; Y131-Q134 PolarHBondContact O-N 2.95Å; Y131-G135 PolarHBondContact O-N 3.4Å; Y131-G135 VanDerWaalsContact O-N 3.12Å; Y131-I136 CarbonylContact C-O 3.58Å; Y131-I136 WeakPolarHBondContact CB-O 3.44Å; Y131-I136 HydrophobicContact CD1-CB 4Å; Y131-I136 HydrophobicContact CD1-CG2 3.76Å; Y131-I136 HydrophobicContact CE1-CG2 4.05Å; Y131-I136 PolarHBondContact O-N 3.06Å; Y131-P138 HydrophobicContact CG-CG 4.21Å
132S94.9Very high94Very high99 Ų9977.9 Ų77.969%0.69242%0.418SS*.Hα-helixtrans-61.5-41.5178.9-60.10000112.8L128 S129 V130 Q134 G135L128-S132 PolarHBondContact O-N 3.46Å; L128-S132 PolarHBondContact O-OG 3.23Å; S129-S132 PolarHBondContact O-N 2.82Å; V130-S132 VanDerWaalsContact C-N 3.35Å; V130-S132 PolarHBondContact O-N 2.81Å; S132-Q134 VanDerWaalsContact C-N 3.26Å; S132-Q134 PolarHBondContact O-N 3.24Å; S132-G135 PolarHBondContact O-N 2.89Å
133S94.8Very high93.6Very high60 Ų6080.8 Ų80.842%0.4244%0.437SS..Hα-helixtrans-66.5-27.3-179.374.20000113.7S129 V130 Y131S129-S133 VanDerWaalsContact O-CB 3.29Å; S129-S133 WeakPolarHBondContact O-CB 3.5Å; S129-S133 PolarHBondContact O-N 3.39Å; S129-S133 PolarHBondContact O-OG 3.29Å; V130-S133 PolarHBondContact O-N 3.1Å; V130-S133 PolarHBondContact O-OG 3.23Å; Y131-S133 PolarHBondContact O-N 3.13Å
134Q92.4Very high93.3Very high121 Ų12187.7 Ų87.757%0.56546%0.463SS*.THydrogen-bonded Turntrans-97.6-1.9-179.5-62.9-67.4-21.700112.6V130 Y131 S132 I136V130-Q134 WeakPolarHBondContact O-CG 3.33Å; V130-Q134 PolarHBondContact O-N 3.02Å; V130-Q134 VanDerWaalsContact O-N 3.12Å; Y131-Q134 PolarHBondContact O-N 2.95Å; S132-Q134 VanDerWaalsContact C-N 3.26Å; S132-Q134 PolarHBondContact O-N 3.24Å; Q134-I136 HydrophobicContact CB-CB 4.5Å; Q134-I136 HydrophobicContact CB-CD1 3.65Å; Q134-I136 HydrophobicContact CB-CG1 3.75Å; Q134-I136 HydrophobicContact CG-CD1 4.43Å; Q134-I136 PolarHBondContact O-N 2.88Å
135G93.2Very high92.9Very high74 Ų7485.2 Ų85.276%0.76346%0.457SS*.THydrogen-bonded Turntrans64.822.5-173.900000113.7Y131 S132Y131-G135 PolarHBondContact O-N 3.4Å; Y131-G135 VanDerWaalsContact O-N 3.12Å; S132-G135 PolarHBondContact O-N 2.89Å
136I91.8Very high91.9Very high75 Ų7584 Ų8439%0.38546%0.455SS..  trans-94.6132.5-177.9-58.7172.5000108.9Y131 Q134 H140Y131-I136 CarbonylContact C-O 3.58Å; Y131-I136 WeakPolarHBondContact CB-O 3.44Å; Y131-I136 HydrophobicContact CD1-CB 4Å; Y131-I136 HydrophobicContact CD1-CG2 3.76Å; Y131-I136 HydrophobicContact CE1-CG2 4.05Å; Y131-I136 PolarHBondContact O-N 3.06Å; Q134-I136 HydrophobicContact CB-CB 4.5Å; Q134-I136 HydrophobicContact CB-CD1 3.65Å; Q134-I136 HydrophobicContact CB-CG1 3.75Å; Q134-I136 HydrophobicContact CG-CD1 4.43Å; Q134-I136 PolarHBondContact O-N 2.88Å; I136-H140 HydrophobicContact CG2-CB 3.74Å
137S91.8Very high90.3Very high63 Ų6391 Ų9144%0.44149%0.485SS..  trans-68.4136.5171.6177.10000110.8R139 H140S137-R139 PolarHBondContact O-N 3.38Å; S137-R139 PolarHBondContact OG-N 3.44Å; S137-R139 VanDerWaalsContact OG-N 3.16Å; S137-H140 WeakPolarHBondContact O-CB 3.3Å; S137-H140 PolarHBondContact O-N 3.25Å
138P88.6Confident88.4Confident82 Ų8298.7 Ų98.753%0.53251%0.511SS..THydrogen-bonded Turntrans-59.7-12.9169.3-25.135000114.2L128 Y131L128-P138 HydrophobicContact CD2-CG 4.28Å; Y131-P138 HydrophobicContact CG-CG 4.21Å
139R89.7Confident86.3Confident228 Ų228103 Ų10386%0.8653%0.534SS*.THydrogen-bonded Turntrans-97.89.9174.1-57.5-177.6-179.5-134.61.3112.9S137S137-R139 PolarHBondContact O-N 3.38Å; S137-R139 PolarHBondContact OG-N 3.44Å; S137-R139 VanDerWaalsContact OG-N 3.16Å
140H89.2Confident84.3Confident111 Ų111104.8 Ų104.851%0.51455%0.546SS..PPolyproline II helixtrans-57.6133.5176.5-170.1-76.3000109.3I136 S137I136-H140 HydrophobicContact CG2-CB 3.74Å; S137-H140 WeakPolarHBondContact O-CB 3.3Å; S137-H140 PolarHBondContact O-N 3.25Å
141P91.5Very high82.3Confident63 Ų63111.6 Ų111.641%0.40958%0.576SS.*PPolyproline II helixtrans-56.6146.9178.2-24.833.9000111.7E145P141-E145 VanDerWaalsContact CA-OE2 3.27Å; P141-E145 WeakPolarHBondContact CA-OE2 3.2Å; P141-E145 HydrophobicContact CB-CB 4.14Å
142L91.1Very high80.3Confident80 Ų80111.4 Ų111.442%0.41959%0.587SS.*PPolyproline II helixtrans-73.7155.5175.2-59.1172.7000110.3Y144 E145 S146L142-Y144 HydrophobicContact CB-CD1 4.22Å; L142-Y144 HydrophobicContact CB-CD2 4.41Å; L142-Y144 HydrophobicContact CB-CE1 3.9Å; L142-Y144 HydrophobicContact CB-CE2 4.08Å; L142-Y144 HydrophobicContact CB-CG 4.49Å; L142-Y144 HydrophobicContact CD1-CE1 3.94Å; L142-Y144 HydrophobicContact CD1-CE2 4.03Å; L142-Y144 WeakPolarHBondContact CD1-OH 3.46Å; L142-Y144 PolarHBondContact O-N 3.27Å; L142-E145 HydrophobicContact CB-CG 4.15Å; L142-E145 PolarHBondContact N-OE2 3.33Å; L142-E145 WeakPolarHBondContact O-CA 3.47Å; L142-E145 WeakPolarHBondContact O-CB 3.12Å; L142-E145 PolarHBondContact O-N 2.79Å; L142-S146 PolarHBondContact O-N 2.74Å
143D89.8Confident78Confident144 Ų144111.2 Ų111.277%0.7759%0.586SS**Hα-helixtrans-54-33.2-175.7-65.6-15.3000113.5
144Y89.4Confident75.9Confident157 Ų157114 Ų11462%0.61660%0.603SS**Hα-helixtrans-81.4-17.4177.756.9-107.2000114.1L142L142-Y144 HydrophobicContact CB-CD1 4.22Å; L142-Y144 HydrophobicContact CB-CD2 4.41Å; L142-Y144 HydrophobicContact CB-CE1 3.9Å; L142-Y144 HydrophobicContact CB-CE2 4.08Å; L142-Y144 HydrophobicContact CB-CG 4.49Å; L142-Y144 HydrophobicContact CD1-CE1 3.94Å; L142-Y144 HydrophobicContact CD1-CE2 4.03Å; L142-Y144 WeakPolarHBondContact CD1-OH 3.46Å; L142-Y144 PolarHBondContact O-N 3.27Å
145E90Very high74.1Confident90 Ų90117.3 Ų117.342%0.42162%0.615SS.*Hα-helixtrans-77.4-37.3175.2-64.9179.3155.800111P141 L142 K147 R148P141-E145 VanDerWaalsContact CA-OE2 3.27Å; P141-E145 WeakPolarHBondContact CA-OE2 3.2Å; P141-E145 HydrophobicContact CB-CB 4.14Å; L142-E145 HydrophobicContact CB-CG 4.15Å; L142-E145 PolarHBondContact N-OE2 3.33Å; L142-E145 WeakPolarHBondContact O-CA 3.47Å; L142-E145 WeakPolarHBondContact O-CB 3.12Å; L142-E145 PolarHBondContact O-N 2.79Å; E145-K147 PolarHBondContact O-N 3.14Å; E145-K147 VanDerWaalsContact O-N 3.16Å; E145-R148 PolarHBondContact O-N 2.77Å
146S75.4Confident72Confident62 Ų62119.2 Ų119.243%0.43462%0.617SS.*Hα-helixtrans-57.3-30.8175.4-610000112.6L142 R148L142-S146 PolarHBondContact O-N 2.74Å; S146-R148 VanDerWaalsContact C-N 3.34Å; S146-R148 PolarHBondContact O-N 3.35Å
147K63.1Low70.2Confident150 Ų150123.3 Ų123.365%0.65263%0.634SS**G310 helixtrans-72.4-23.9178.4-67.4-176.4-177.8177.70113.3E145 L149 S150E145-K147 PolarHBondContact O-N 3.14Å; E145-K147 VanDerWaalsContact O-N 3.16Å; K147-L149 VanDerWaalsContact C-N 3.29Å; K147-L149 PolarHBondContact O-N 3.48Å; K147-S150 PolarHBondContact O-N 2.92Å; K147-S150 PolarHBondContact O-OG 3.19Å
148R55.9Low68.6Low206 Ų206126 Ų12678%0.77765%0.651SS**G310 helixtrans-68.5-27.7178.6-71.8-169.1171.4-155.4-1.4113E145 S146 S150 H151E145-R148 PolarHBondContact O-N 2.77Å; S146-R148 VanDerWaalsContact C-N 3.34Å; S146-R148 PolarHBondContact O-N 3.35Å; R148-S150 VanDerWaalsContact C-N 3.26Å; R148-S150 PolarHBondContact O-N 2.76Å; R148-H151 PolarHBondContact O-N 2.84Å
149L52.1Low67Low143 Ų143132 Ų13275%0.74967%0.669SS**G310 helixtrans-69.7-23.3175.4-67.9167.4000112.9K147K147-L149 VanDerWaalsContact C-N 3.29Å; K147-L149 PolarHBondContact O-N 3.48Å
150S54.1Low65.4Low78 Ų78131.1 Ų131.155%0.54567%0.671SS.*THydrogen-bonded Turntrans-84.8-20.4178.970.90000114.3K147 R148K147-S150 PolarHBondContact O-N 2.92Å; K147-S150 PolarHBondContact O-OG 3.19Å; R148-S150 VanDerWaalsContact C-N 3.26Å; R148-S150 PolarHBondContact O-N 2.76Å
151H55Low63.7Low168 Ų168135.7 Ų135.778%0.77869%0.689SS**SBendtrans-102.12.1-175.4-7959.3000113.7R148R148-H151 PolarHBondContact O-N 2.84Å
152S52.2Low62Low85 Ų85137.4 Ų137.459%0.59471%0.709SS**  trans-99.45.6-178.760.50000115.1P154S152-P154 WeakPolarHBondContact O-CD 3.35Å
153S46.2Very low60.6Low96 Ų96143.5 Ų143.567%0.67173%0.732SS**  trans-73.4119.4170.3-64.10000109.8K155S153-K155 PolarHBondContact O-N 2.79Å
154P51.5Low59Low119 Ų119150 Ų15077%0.77375%0.753SS**  trans-62.7128.9171.7-4.116.9000108S152 S156S152-P154 WeakPolarHBondContact O-CD 3.35Å; P154-S156 PolarHBondContact O-N 2.76Å
155K53.6Low57.5Low189 Ų189149.7 Ų149.782%0.82276%0.76SS**  trans-60.1102.3167.9-70.2-172178.3179.60108S153 H157S153-K155 PolarHBondContact O-N 2.79Å; K155-H157 PolarHBondContact O-N 3.48Å; K155-H157 PolarHBondContact O-ND1 2.93Å; K155-H157 VanDerWaalsContact O-ND1 3.15Å
156S49.5Very low55.8Low115 Ų115152.8 Ų152.880%0.80478%0.778SS**  trans-59.9106.1170.947.90000108.4P154P154-S156 PolarHBondContact O-N 2.76Å
157H53.8Low54.7Low160 Ų160157.8 Ų157.874%0.74180%0.797SS**  trans-71.5131.3171.1-80.449.3000108.5K155 K159K155-H157 PolarHBondContact O-N 3.48Å; K155-H157 PolarHBondContact O-ND1 2.93Å; K155-H157 VanDerWaalsContact O-ND1 3.15Å; H157-K159 PolarHBondContact O-N 2.96Å
158P58.7Low54.2Low121 Ų121158.3 Ų158.379%0.78681%0.806SS**  trans-69.1119.6176.824.5-25.5000108.9K160P158-K160 PolarHBondContact O-N 3.29Å; P158-K160 VanDerWaalsContact O-N 3.15Å
159K55.7Low54.1Low208 Ų208155.3 Ų155.390%0.90481%0.807SS**  trans-62.5114.2171.8-74.9-174.7176.8-179.30108.8H157 K161H157-K159 PolarHBondContact O-N 2.96Å; K159-K161 PolarHBondContact O-N 3.08Å
160K56.4Low54.2Low209 Ų209156.1 Ų156.191%0.90981%0.811SS**PPolyproline II helixtrans-57.2117.6167.1-78.7-176.5175.6179.30108.6P158 A162P158-K160 PolarHBondContact O-N 3.29Å; P158-K160 VanDerWaalsContact O-N 3.15Å; K160-A162 PolarHBondContact O-N 3.04Å
161K51.9Low54.2Low206 Ų206161.7 Ų161.790%0.89683%0.83SS**PPolyproline II helixtrans-68.2116.5165.5-78-175.5175-1800108.1K159 K163K159-K161 PolarHBondContact O-N 3.08Å; K161-K163 PolarHBondContact O-N 2.68Å
162A56.4Low54.2Low100 Ų100161.2 Ų161.283%0.82683%0.834SS**PPolyproline II helixtrans-65.1127.2163.800000108.7K160K160-A162 PolarHBondContact O-N 3.04Å
163K61.4Low54.3Low208 Ų208167.6 Ų167.690%0.90485%0.854SS**PPolyproline II helixtrans-74.7136.5166.1-86.7-178.6171.3-178.20108.3K161K161-K163 PolarHBondContact O-N 2.68Å
164K56.7Low55.1Low280 Ų280174.1 Ų174.1100%1.21787%0.871SS**  trans-55.20164.3-91.9-177.9170.6-176.20111.1

Retrieved 164 of 164 residues in 34.6 ms (Link to these results)

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