A0A096MXM6_PAPAN Loading...

Tetratricopeptide repeat protein 36

AlphaFold DB , UniProt , Accession A0A096MXM6, Species PAPAN (Papio anubis, Olive baboon), Gene TTC36, Length 189 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
1M47.1Very low56.6Low234 Ų23494.5 Ų94.5100%1.15351%0.506SS*.  01230-75.2176.4-179.600106.6
2G54.9Low56.6Low43 Ų4389.8 Ų89.844%0.44349%0.491SS..  trans-60.1147.5-179.600000111.2
3T68.6Low56.6Low73 Ų7391.3 Ų91.345%0.44850%0.496SS..  trans-62.2159.6177.166.80000109.9N5 D6 R7T3-N5 PolarHBondContact O-N 2.66Å; T3-N5 VanDerWaalsContact O-N 3.14Å; T3-D6 WeakPolarHBondContact CB-OD2 3.41Å; T3-D6 PolarHBondContact N-OD2 3.01Å; T3-D6 PolarHBondContact O-N 3.36Å; T3-D6 PolarHBondContact OG1-N 3.48Å; T3-D6 PolarHBondContact OG1-OD2 3.14Å; T3-R7 PolarHBondContact O-N 3.28Å; T3-R7 VanDerWaalsContact O-N 3.12Å
4P51.4Low56.4Low96 Ų9695.5 Ų95.562%0.62351%0.508SS*.Hα-helixtrans-52.3-34.8174.5-26.535.1000112.5R7 A8P4-R7 PolarHBondContact O-N 3.31Å; P4-A8 PolarHBondContact O-N 3.5Å
5N49Very low55.9Low91 Ų9194.9 Ų94.949%0.48751%0.505SS..Hα-helixtrans-66.8-42.5176.5-160.429.7000112.3T3 R7 A8 V9T3-N5 PolarHBondContact O-N 2.66Å; T3-N5 VanDerWaalsContact O-N 3.14Å; N5-R7 VanDerWaalsContact C-N 3.3Å; N5-R7 PolarHBondContact O-N 3.28Å; N5-A8 PolarHBondContact O-N 2.9Å; N5-V9 WeakPolarHBondContact O-CG2 3.39Å; N5-V9 PolarHBondContact O-N 2.88Å
6D58.4Low55.7Low77 Ų7793.8 Ų93.841%0.41251%0.505SS..Hα-helixtrans-63.9-37.2177.2-57.9-41.4000111.7T3 L10T3-D6 WeakPolarHBondContact CB-OD2 3.41Å; T3-D6 PolarHBondContact N-OD2 3.01Å; T3-D6 PolarHBondContact O-N 3.36Å; T3-D6 PolarHBondContact OG1-N 3.48Å; T3-D6 PolarHBondContact OG1-OD2 3.14Å; D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 WeakPolarHBondContact O-CD1 3.14Å; D6-L10 WeakPolarHBondContact O-CG 3.47Å; D6-L10 PolarHBondContact O-N 3.08Å
7R61.1Low55.3Low168 Ų16897.1 Ų97.163%0.63452%0.522SS*.Hα-helixtrans-67.8-41.7176.3-79.7178.7150.5167.1-6.7112.2T3 P4 N5 L10 Q11T3-R7 PolarHBondContact O-N 3.28Å; T3-R7 VanDerWaalsContact O-N 3.12Å; P4-R7 PolarHBondContact O-N 3.31Å; N5-R7 VanDerWaalsContact C-N 3.3Å; N5-R7 PolarHBondContact O-N 3.28Å; R7-L10 PolarHBondContact O-N 3.1Å; R7-Q11 WeakPolarHBondContact O-CB 3.45Å; R7-Q11 PolarHBondContact O-N 2.92Å
8A55.1Low55.2Low3 Ų393.7 Ų93.73%0.02551%0.505CS..Hα-helixtrans-64.2-42.5176.900000112.1P4 N5 Q11 A12 I23 L26P4-A8 PolarHBondContact O-N 3.5Å; N5-A8 PolarHBondContact O-N 2.9Å; A8-Q11 PolarHBondContact O-N 3.4Å; A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 2.89Å; A8-I23 HydrophobicContact CB-CG2 3.61Å; A8-L26 HydrophobicContact CB-CG 4.44Å
9V54.9Low54.8Low77 Ų7793.4 Ų93.447%0.46751%0.509SS..Hα-helixtrans-62.7-45.6176.1171.60000110.9N5 Q11 A12 I13N5-V9 WeakPolarHBondContact O-CG2 3.39Å; N5-V9 PolarHBondContact O-N 2.88Å; V9-Q11 PolarHBondContact O-N 3.22Å; V9-A12 PolarHBondContact O-N 2.66Å; V9-I13 HydrophobicContact CG1-CD1 3.91Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 3.45Å; V9-I13 VanDerWaalsContact O-N 3.11Å
10L64.2Low54.1Low91 Ų9194.2 Ų94.248%0.47651%0.507SS..Hα-helixtrans-65.4-40.6178.3-68.7166.6000111.6D6 R7 A12 I13 F14D6-L10 WeakPolarHBondContact O-CB 3.49Å; D6-L10 WeakPolarHBondContact O-CD1 3.14Å; D6-L10 WeakPolarHBondContact O-CG 3.47Å; D6-L10 PolarHBondContact O-N 3.08Å; R7-L10 PolarHBondContact O-N 3.1Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 2.89Å; L10-I13 PolarHBondContact O-N 3.45Å; L10-F14 HydrophobicContact CB-CD2 4.38Å; L10-F14 HydrophobicContact CB-CE2 4.47Å; L10-F14 HydrophobicContact CD2-CE2 3.94Å; L10-F14 WeakPolarHBondContact O-CD2 3.48Å; L10-F14 PolarHBondContact O-N 3.09Å
11Q58Low53.8Low86 Ų8693 Ų9340%0.40252%0.518SS..Hα-helixtrans-65.1-35.3178.6-167.2167.1-0.500112.5R7 A8 V9 N15R7-Q11 WeakPolarHBondContact O-CB 3.45Å; R7-Q11 PolarHBondContact O-N 2.92Å; A8-Q11 PolarHBondContact O-N 3.4Å; V9-Q11 PolarHBondContact O-N 3.22Å; Q11-N15 WeakPolarHBondContact O-CB 3.4Å; Q11-N15 PolarHBondContact O-N 3.35Å
12A56Low53.6Low39 Ų3987.5 Ų87.532%0.32249%0.492SS..Hα-helixtrans-70.4-31173.900000113.4A8 V9 L10 I23A8-A12 WeakPolarHBondContact O-CB 3.44Å; A8-A12 PolarHBondContact O-N 2.89Å; V9-A12 PolarHBondContact O-N 2.66Å; L10-A12 VanDerWaalsContact C-N 3.32Å; L10-A12 PolarHBondContact O-N 2.89Å; A12-I23 HydrophobicContact CB-CD1 4.42Å
13I56.9Low53.1Low109 Ų10986.3 Ų86.356%0.55948%0.476SS*.Hα-helixtrans-72.9-41.8175.9-69.8166.9000111V9 L10V9-I13 HydrophobicContact CG1-CD1 3.91Å; V9-I13 VanDerWaalsContact O-CG1 3.3Å; V9-I13 WeakPolarHBondContact O-CG1 3.47Å; V9-I13 PolarHBondContact O-N 3.45Å; V9-I13 VanDerWaalsContact O-N 3.11Å; L10-I13 PolarHBondContact O-N 3.45Å
14F53.4Low51.7Low150 Ų15089.5 Ų89.566%0.65850%0.495SS*.Hα-helixtrans-91.7-17.6-172.9-68.7-66.3000114.6L10L10-F14 HydrophobicContact CB-CD2 4.38Å; L10-F14 HydrophobicContact CB-CE2 4.47Å; L10-F14 HydrophobicContact CD2-CE2 3.94Å; L10-F14 WeakPolarHBondContact O-CD2 3.48Å; L10-F14 PolarHBondContact O-N 3.09Å
15N49.2Very low51.2Low87 Ų8787.1 Ų87.147%0.46549%0.488SS..  trans-129.676.8177.5-62.8-51.5000111Q11 D17 T18Q11-N15 WeakPolarHBondContact O-CB 3.4Å; Q11-N15 PolarHBondContact O-N 3.35Å; N15-D17 PolarHBondContact O-N 3.1Å; N15-T18 WeakPolarHBondContact CB-OG1 3.32Å; N15-T18 PolarHBondContact O-N 3.3Å; N15-T18 PolarHBondContact O-OG1 3.47Å
16P53.6Low50.9Low77 Ų7786.9 Ų86.950%0.549%0.486SS..THydrogen-bonded Turntrans-66.7-18-176.426.4-34.4000114R159P16-R159 PolarHBondContact O-NH2 2.9Å
17D49Very low50Low150 Ų15087.6 Ų87.680%0.80249%0.49SS*.THydrogen-bonded Turntrans-93.2-1.4-178.8-60.7-42.4000113.7N15 P19N15-D17 PolarHBondContact O-N 3.1Å; D17-P19 WeakPolarHBondContact O-CD 3.48Å
18T52.8Low49.2Very low36 Ų3683.5 Ų83.522%0.22148%0.48CS..SBendtrans-60127.8175.1-20.30000109.3N15 F20N15-T18 WeakPolarHBondContact CB-OG1 3.32Å; N15-T18 PolarHBondContact O-N 3.3Å; N15-T18 PolarHBondContact O-OG1 3.47Å; T18-F20 PolarHBondContact O-N 3.04Å; T18-F20 VanDerWaalsContact O-N 3.16Å
19P47.2Very low48.6Very low88 Ų8885.1 Ų85.157%0.57150%0.497SS*.  trans-55.1122.4173.2-23.833.5000109.7D17 G21 D22D17-P19 WeakPolarHBondContact O-CD 3.48Å; P19-G21 PolarHBondContact O-N 2.87Å; P19-D22 PolarHBondContact O-N 2.88Å
20F42Very low47.8Very low109 Ų10986.4 Ų86.448%0.47850%0.498SS..THydrogen-bonded Turntrans-70.498.6-179.8-82.8-65.4000109.3T18 I23 R159T18-F20 PolarHBondContact O-N 3.04Å; T18-F20 VanDerWaalsContact O-N 3.16Å; F20-I23 HydrophobicContact CD1-CD1 3.86Å; F20-I23 HydrophobicContact CE1-CD1 3.79Å; F20-R159 VanDerWaalsContact CD2-CZ 3.42Å
21G46.6Very low46.9Very low70 Ų7088.5 Ų88.572%0.72251%0.506SS*.THydrogen-bonded Turntrans168.7-27.7-175.800000111.9P19P19-G21 PolarHBondContact O-N 2.87Å
22D43.5Very low46.4Very low117 Ų11785.7 Ų85.763%0.62650%0.497SS*.  trans-98.99.5-176.5-62.8-29.7000114.4P19 V24P19-D22 PolarHBondContact O-N 2.88Å; D22-V24 PolarHBondContact O-N 3.4Å
23I44.6Very low46Very low19 Ų1989.3 Ų89.310%0.09751%0.507CS..  trans-81.289.4175.5-53.8176.9000108.4A8 A12 F20 G25 L26A8-I23 HydrophobicContact CB-CG2 3.61Å; A12-I23 HydrophobicContact CB-CD1 4.42Å; F20-I23 HydrophobicContact CD1-CD1 3.86Å; F20-I23 HydrophobicContact CE1-CD1 3.79Å; I23-G25 PolarHBondContact O-N 3.49Å; I23-G25 VanDerWaalsContact O-N 3.07Å; I23-L26 HydrophobicContact CB-CD1 4.44Å; I23-L26 HydrophobicContact CD1-CD1 4.49Å; I23-L26 HydrophobicContact CG2-CD1 4.1Å; I23-L26 HydrophobicContact CG2-CG 4.48Å
24V38.6Very low45.8Very low139 Ų13989.3 Ų89.384%0.84250%0.503SS*.THydrogen-bonded Turntrans-56.6110.7174.6-177.80000109.5D22D22-V24 PolarHBondContact O-N 3.4Å
25G40.2Very low46Very low47 Ų4787 Ų8749%0.48550%0.495SS..THydrogen-bonded Turntrans122.2-4.1172.300000116.9I23 D27I23-G25 PolarHBondContact O-N 3.49Å; I23-G25 VanDerWaalsContact O-N 3.07Å; G25-D27 PolarHBondContact O-N 2.96Å
26L42.9Very low46.4Very low86 Ų8685.1 Ų85.145%0.4548%0.483SS..  trans-89.292.6164.1-75.4167.2000108.4A8 I23 L28A8-L26 HydrophobicContact CB-CG 4.44Å; I23-L26 HydrophobicContact CB-CD1 4.44Å; I23-L26 HydrophobicContact CD1-CD1 4.49Å; I23-L26 HydrophobicContact CG2-CD1 4.1Å; I23-L26 HydrophobicContact CG2-CG 4.48Å; L26-L28 PolarHBondContact O-N 3.29Å
27D40.7Very low46.7Very low91 Ų9189.8 Ų89.849%0.48749%0.49SS..  trans-69.267173.3-173.519000111.2G25 G29 E30G25-D27 PolarHBondContact O-N 2.96Å; D27-G29 VanDerWaalsContact C-N 3.34Å; D27-E30 VanDerWaalsContact OD1-CB 3.24Å; D27-E30 WeakPolarHBondContact OD1-CB 3.45Å; D27-E30 VanDerWaalsContact OD1-CG 3.27Å; D27-E30 WeakPolarHBondContact OD1-CG 3.47Å; D27-E30 PolarHBondContact OD1-N 3.14Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å
28L44.3Very low47.6Very low83 Ų8389.3 Ų89.344%0.43548%0.481SS..  trans-92.8-2.9167.8-67.8169.5000111.2L26L26-L28 PolarHBondContact O-N 3.29Å
29G42.9Very low48.5Very low37 Ų3790.4 Ų90.438%0.38148%0.484SS..Hα-helixtrans-87.4-47.5-176.600000112.7D27 E31 A32 E33D27-G29 VanDerWaalsContact C-N 3.34Å; G29-E31 PolarHBondContact O-N 2.96Å; G29-A32 PolarHBondContact O-N 2.88Å; G29-E33 WeakPolarHBondContact O-CG 3.47Å; G29-E33 PolarHBondContact O-N 3.25Å
30E37.7Very low49.9Very low104 Ų10487.1 Ų87.149%0.48646%0.462SS..Hα-helixtrans-68.8-37.5-174.4-70.4-168.2-17400113.2D27 A32 E33 K34D27-E30 VanDerWaalsContact OD1-CB 3.24Å; D27-E30 WeakPolarHBondContact OD1-CB 3.45Å; D27-E30 VanDerWaalsContact OD1-CG 3.27Å; D27-E30 WeakPolarHBondContact OD1-CG 3.47Å; D27-E30 PolarHBondContact OD1-N 3.14Å; D27-E30 VanDerWaalsContact OD1-N 3.13Å; E30-A32 VanDerWaalsContact C-N 3.35Å; E30-E33 PolarHBondContact O-N 3.48Å; E30-K34 WeakPolarHBondContact O-CB 3.48Å; E30-K34 WeakPolarHBondContact O-CD 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3Å; E30-K34 PolarHBondContact O-N 3.41Å; E30-K34 IonicContact OE2-NZ 2.62Å; E30-K34 PolarHBondContact OE2-NZ 3.07Å
31E45.2Very low51.7Low134 Ų13489 Ų8963%0.62647%0.472SS*.Hα-helixtrans-66.9-38.5177.8-65.7-166.6156.300111.6G29 K34 E35G29-E31 PolarHBondContact O-N 2.96Å; E31-K34 PolarHBondContact O-N 3.19Å; E31-E35 WeakPolarHBondContact O-CG 3.45Å; E31-E35 PolarHBondContact O-N 2.87Å
32A46.7Very low53.5Low27 Ų2791.1 Ų91.122%0.22347%0.47CS..Hα-helixtrans-67.8-39.6177.200000112.1G29 E30 E35 E36G29-A32 PolarHBondContact O-N 2.88Å; E30-A32 VanDerWaalsContact C-N 3.35Å; A32-E35 PolarHBondContact O-N 3.45Å; A32-E36 WeakPolarHBondContact O-CB 3.39Å; A32-E36 PolarHBondContact O-N 3.07Å
33E48.2Very low55.7Low116 Ų11687.2 Ų87.254%0.54245%0.448SS..Hα-helixtrans-68-34.9174.5-72.2-179.7-169.800112.4G29 E30 R37G29-E33 WeakPolarHBondContact O-CG 3.47Å; G29-E33 PolarHBondContact O-N 3.25Å; E30-E33 PolarHBondContact O-N 3.48Å; E33-R37 WeakPolarHBondContact O-CG 3.47Å; E33-R37 PolarHBondContact O-N 2.79Å; E33-R37 VanDerWaalsContact O-N 3.08Å
34K53.3Low58Low109 Ų10989.9 Ų89.947%0.47447%0.466SS..Hα-helixtrans-68.5-36174.8-73.8163.4-168.4156.80112.1E30 E31 K38E30-K34 WeakPolarHBondContact O-CB 3.48Å; E30-K34 WeakPolarHBondContact O-CD 3.3Å; E30-K34 WeakPolarHBondContact O-CG 3Å; E30-K34 PolarHBondContact O-N 3.41Å; E30-K34 IonicContact OE2-NZ 2.62Å; E30-K34 PolarHBondContact OE2-NZ 3.07Å; E31-K34 PolarHBondContact O-N 3.19Å; K34-K38 WeakPolarHBondContact O-CG 3.44Å
35E57.4Low60.5Low102 Ų10290.4 Ų90.448%0.47746%0.46SS..Hα-helixtrans-69.6-40.8173.9-75.2-171.7161.800112.1E31 A32 K38 E39E31-E35 WeakPolarHBondContact O-CG 3.45Å; E31-E35 PolarHBondContact O-N 2.87Å; A32-E35 PolarHBondContact O-N 3.45Å; E35-K38 WeakPolarHBondContact O-CB 3.28Å; E35-K38 PolarHBondContact O-N 3.24Å; E35-K38 VanDerWaalsContact O-N 3.17Å; E35-E39 PolarHBondContact O-N 3.1Å; E35-E39 VanDerWaalsContact O-N 3.12Å
36E57.8Low63Low46 Ų4692.1 Ų92.122%0.21547%0.469CS..Hα-helixtrans-66.6-37.7179.8-164.4169.1-161.300112.5A32 K38 E39 D40 R120A32-E36 WeakPolarHBondContact O-CB 3.39Å; A32-E36 PolarHBondContact O-N 3.07Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.03Å; E36-E39 PolarHBondContact O-N 3.41Å; E36-D40 WeakPolarHBondContact O-CB 3.45Å; E36-D40 PolarHBondContact O-N 3.45Å; E36-D40 VanDerWaalsContact O-N 3.08Å; E36-R120 VanDerWaalsContact OE1-CD 3.27Å; E36-R120 WeakPolarHBondContact OE1-CD 3.47Å; E36-R120 IonicContact OE1-CZ 3.58Å; E36-R120 VanDerWaalsContact OE1-CZ 3.31Å; E36-R120 IonicContact OE1-NE 2.9Å; E36-R120 IonicContact OE1-NH1 3.31Å; E36-R120 PolarHBondContact OE1-NH1 2.89Å; E36-R120 VanDerWaalsContact OE2-CD 3.31Å; E36-R120 WeakPolarHBondContact OE2-CD 3.47Å; E36-R120 IonicContact OE2-CZ 3.84Å; E36-R120 IonicContact OE2-NE 2.66Å; E36-R120 IonicContact OE2-NH1 3.56Å; E36-R120 PolarHBondContact OE2-NH1 3Å
37R59.8Low65.3Low175 Ų17591.9 Ų91.966%0.6647%0.466SS*.Hα-helixtrans-59.5-38.7171.7-76.4179.9-174.2-147.33112.4E33 D40 E41E33-R37 WeakPolarHBondContact O-CG 3.47Å; E33-R37 PolarHBondContact O-N 2.79Å; E33-R37 VanDerWaalsContact O-N 3.08Å; R37-D40 PolarHBondContact O-N 2.96Å; R37-E41 WeakPolarHBondContact O-CG 3.13Å; R37-E41 PolarHBondContact O-N 3.48Å
38K68.6Low67.8Low141 Ų14188 Ų8861%0.61345%0.445SS*.Hα-helixtrans-70.6-34.2178.4-68.5173.8-177.5178.20113.1K34 E35 E36 D40K34-K38 WeakPolarHBondContact O-CG 3.44Å; E35-K38 WeakPolarHBondContact O-CB 3.28Å; E35-K38 PolarHBondContact O-N 3.24Å; E35-K38 VanDerWaalsContact O-N 3.17Å; E36-K38 VanDerWaalsContact C-N 3.28Å; E36-K38 PolarHBondContact O-N 3.03Å; K38-D40 VanDerWaalsContact C-N 3.35Å
39E70.3Confident70.2Confident59 Ų5989 Ų8928%0.27645%0.447SS..Hα-helixtrans-66.9-39.8174.4-71.6176.9-170.100111.2E35 E36 F43 G119 R120E35-E39 PolarHBondContact O-N 3.1Å; E35-E39 VanDerWaalsContact O-N 3.12Å; E36-E39 PolarHBondContact O-N 3.41Å; E39-F43 WeakPolarHBondContact O-CE2 3.37Å; E39-G119 VanDerWaalsContact OE1-CA 3.29Å; E39-G119 WeakPolarHBondContact OE1-CA 3.48Å; E39-R120 PolarHBondContact OE1-N 2.95Å
40D77.5Confident72.8Confident19 Ų1992.5 Ų92.510%0.10245%0.454CS..Hα-helixtrans-78.2-24.8-176.7-84.6-13.2000113.5E36 R37 K38 V42 F43 L48 K52 R84E36-D40 WeakPolarHBondContact O-CB 3.45Å; E36-D40 PolarHBondContact O-N 3.45Å; E36-D40 VanDerWaalsContact O-N 3.08Å; R37-D40 PolarHBondContact O-N 2.96Å; K38-D40 VanDerWaalsContact C-N 3.35Å; D40-V42 PolarHBondContact O-N 3.33Å; D40-V42 VanDerWaalsContact O-N 3.12Å; D40-F43 PolarHBondContact O-N 2.96Å; D40-L48 HydrophobicContact CB-CD1 4.38Å; D40-L48 HydrophobicContact CB-CD2 3.83Å; D40-K52 WeakPolarHBondContact OD2-CE 3.29Å; D40-K52 IonicContact OD2-NZ 3.65Å; D40-K52 PolarHBondContact OD2-NZ 2.96Å; D40-R84 IonicContact OD1-CZ 2.76Å; D40-R84 IonicContact OD1-NE 2.93Å; D40-R84 PolarHBondContact OD1-NE 3.11Å; D40-R84 IonicContact OD1-NH2 3.17Å; D40-R84 PolarHBondContact OD1-NH2 2.87Å; D40-R84 IonicContact OD2-NH2 3.78Å; D40-R84 PolarHBondContact OD2-NH2 2.85Å
41E79.9Confident75.6Confident148 Ų14887.6 Ų87.669%0.69243%0.431SS*.THydrogen-bonded Turntrans-61.4-17.2179.1-86.7167.8-157.400114.3R37 F43R37-E41 WeakPolarHBondContact O-CG 3.13Å; R37-E41 PolarHBondContact O-N 3.48Å; E41-F43 VanDerWaalsContact C-N 3.34Å
42V84Confident77.9Confident114 Ų11484.3 Ų84.369%0.69142%0.415SS*.THydrogen-bonded Turntrans-77.9-20.3-178.6-173.80000112.2D40D40-V42 PolarHBondContact O-N 3.33Å; D40-V42 VanDerWaalsContact O-N 3.12Å
43F89.3Confident80.3Confident36 Ų3685.2 Ų85.216%0.15842%0.422CS..SBendtrans-97.7149.5-172.1-57.5-67.4000113.1E39 D40 E41 Q45 L48 L81 E83 R84E39-F43 WeakPolarHBondContact O-CE2 3.37Å; D40-F43 PolarHBondContact O-N 2.96Å; E41-F43 VanDerWaalsContact C-N 3.34Å; F43-Q45 PolarHBondContact O-N 3.33Å; F43-L48 HydrophobicContact CB-CB 4.24Å; F43-L48 HydrophobicContact CB-CD1 4.4Å; F43-L48 HydrophobicContact CD2-CD1 4.21Å; F43-L81 HydrophobicContact CB-CD1 4.15Å; F43-L81 HydrophobicContact CB-CD2 4.44Å; F43-L81 HydrophobicContact CD1-CD1 4.37Å; F43-L81 HydrophobicContact CD1-CD2 4.03Å; F43-L81 HydrophobicContact CG-CD1 4.14Å; F43-L81 HydrophobicContact CG-CD2 4.46Å; F43-E83 HydrophobicContact CE1-CB 4.06Å; F43-E83 HydrophobicContact CZ-CB 4.45Å; F43-R84 HydrophobicContact CE2-CB 4.43Å; F43-R84 HydrophobicContact CE2-CG 4.3Å; F43-R84 HydrophobicContact CZ-CB 4.27Å
44P92.4Very high82.7Confident74 Ų7480.7 Ų80.748%0.48140%0.401SS..  trans-57.7122.4171.2-25.136.3000111A46 Q47 L48P44-A46 VanDerWaalsContact C-N 3.27Å; P44-A46 PolarHBondContact O-N 3.34Å; P44-A46 VanDerWaalsContact O-N 3.12Å; P44-Q47 HydrophobicContact CB-CB 4.42Å; P44-Q47 HydrophobicContact CB-CG 4.43Å; P44-Q47 PolarHBondContact O-N 3.47Å; P44-L48 PolarHBondContact O-N 3.41Å
45Q90.6Very high84.7Confident151 Ų15175.9 Ų75.971%0.70638%0.381SS*.Hα-helixtrans-54.5-39.8-169.6-164.8172.35.700113.3F43 L48 E49F43-Q45 PolarHBondContact O-N 3.33Å; Q45-L48 PolarHBondContact O-N 3.39Å; Q45-E49 WeakPolarHBondContact O-CG 3.48Å; Q45-E49 PolarHBondContact O-N 2.89Å
46A92.7Very high86.5Confident83 Ų8376.2 Ų76.269%0.68639%0.385SS*.Hα-helixtrans-64.1-42.5177.600000113.2P44 Q50P44-A46 VanDerWaalsContact C-N 3.27Å; P44-A46 PolarHBondContact O-N 3.34Å; P44-A46 VanDerWaalsContact O-N 3.12Å; A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.36Å
47Q92.7Very high88.3Confident81 Ų8178.1 Ų78.138%0.37939%0.394SS..Hα-helixtrans-72-35.5177.7-68179.1-36.900111.2P44 Q50 S51 L80 L81P44-Q47 HydrophobicContact CB-CB 4.42Å; P44-Q47 HydrophobicContact CB-CG 4.43Å; P44-Q47 PolarHBondContact O-N 3.47Å; Q47-Q50 PolarHBondContact O-N 3.37Å; Q47-S51 WeakPolarHBondContact O-CB 3.43Å; Q47-S51 PolarHBondContact O-N 2.83Å; Q47-L80 HydrophobicContact CB-CD1 4.48Å; Q47-L80 HydrophobicContact CB-CG 4.37Å; Q47-L80 HydrophobicContact CG-CD1 4.28Å; Q47-L80 WeakPolarHBondContact O-CD2 3.38Å; Q47-L81 HydrophobicContact CB-CD2 3.97Å; Q47-L81 HydrophobicContact CB-CG 4.32Å
48L93.5Very high90Very high10 Ų1069.8 Ų69.85%0.05236%0.363CS..Hα-helixtrans-61.8-50.1175.8179.565.7000111.8D40 F43 P44 Q45 Q50 S51 K52 L81 R84D40-L48 HydrophobicContact CB-CD1 4.38Å; D40-L48 HydrophobicContact CB-CD2 3.83Å; F43-L48 HydrophobicContact CB-CB 4.24Å; F43-L48 HydrophobicContact CB-CD1 4.4Å; F43-L48 HydrophobicContact CD2-CD1 4.21Å; P44-L48 PolarHBondContact O-N 3.41Å; Q45-L48 PolarHBondContact O-N 3.39Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.21Å; L48-S51 PolarHBondContact O-N 3.23Å; L48-K52 HydrophobicContact CD1-CD 4.4Å; L48-K52 HydrophobicContact CD1-CG 4.45Å; L48-K52 HydrophobicContact CG-CD 4.2Å; L48-K52 WeakPolarHBondContact O-CB 3.23Å; L48-K52 WeakPolarHBondContact O-CG 3.45Å; L48-K52 PolarHBondContact O-N 3.43Å; L48-L81 HydrophobicContact CB-CD1 4.34Å; L48-L81 HydrophobicContact CD1-CD1 4.21Å; L48-R84 VanDerWaalsContact CD1-NE 3.35Å
49E94.8Very high91.1Very high102 Ų10265.4 Ų65.448%0.47735%0.348SS..Hα-helixtrans-62.4-39.9178.5-69.8-53.3130.300111.5Q45 K52 A53Q45-E49 WeakPolarHBondContact O-CG 3.48Å; Q45-E49 PolarHBondContact O-N 2.89Å; E49-K52 PolarHBondContact O-N 3.19Å; E49-A53 WeakPolarHBondContact O-CB 3.36Å; E49-A53 PolarHBondContact O-N 3.42Å
50Q96.1Very high92.1Very high112 Ų11268.1 Ų68.152%0.52336%0.362SS..Hα-helixtrans-66.5-40.4175.5-176-179.418.500112.2A46 Q47 L48 A53 L54 L80A46-Q50 WeakPolarHBondContact O-CB 3.47Å; A46-Q50 PolarHBondContact O-N 3.36Å; Q47-Q50 PolarHBondContact O-N 3.37Å; L48-Q50 VanDerWaalsContact C-N 3.3Å; L48-Q50 PolarHBondContact O-N 3.21Å; Q50-A53 PolarHBondContact O-N 2.99Å; Q50-L54 HydrophobicContact CG-CD1 4.48Å; Q50-L54 WeakPolarHBondContact O-CG 3.46Å; Q50-L54 PolarHBondContact O-N 3.34Å; Q50-L80 HydrophobicContact CB-CD2 3.66Å; Q50-L80 HydrophobicContact CG-CD2 3.56Å
51S96.4Very high92.7Very high0 Ų067.8 Ų67.80%036%0.362CS..Hα-helixtrans-62.7-45.8174.2-175.10000111.3Q47 L48 A53 L54 E55Q47-S51 WeakPolarHBondContact O-CB 3.43Å; Q47-S51 PolarHBondContact O-N 2.83Å; L48-S51 PolarHBondContact O-N 3.23Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 2.96Å; S51-L54 WeakPolarHBondContact O-CB 3.38Å; S51-L54 PolarHBondContact O-N 2.93Å; S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 3.11Å; S51-E55 PolarHBondContact OG-OE1 3.37Å
52K94.6Very high93Very high66 Ų6661.9 Ų61.929%0.28734%0.338SS..Hα-helixtrans-60.2-41.3176.6-75.3176.1176.6178.10111.8D40 L48 E49 E55 L56D40-K52 WeakPolarHBondContact OD2-CE 3.29Å; D40-K52 IonicContact OD2-NZ 3.65Å; D40-K52 PolarHBondContact OD2-NZ 2.96Å; L48-K52 HydrophobicContact CD1-CD 4.4Å; L48-K52 HydrophobicContact CD1-CG 4.45Å; L48-K52 HydrophobicContact CG-CD 4.2Å; L48-K52 WeakPolarHBondContact O-CB 3.23Å; L48-K52 WeakPolarHBondContact O-CG 3.45Å; L48-K52 PolarHBondContact O-N 3.43Å; E49-K52 PolarHBondContact O-N 3.19Å; K52-E55 PolarHBondContact O-N 3.15Å; K52-L56 WeakPolarHBondContact O-CB 3.49Å; K52-L56 PolarHBondContact O-N 2.98Å
53A96.8Very high93.2Very high46 Ų4664 Ų6438%0.3834%0.341SS..Hα-helixtrans-63.4-42.3175.800000111.9E49 Q50 S51 L56 Q57E49-A53 WeakPolarHBondContact O-CB 3.36Å; E49-A53 PolarHBondContact O-N 3.42Å; Q50-A53 PolarHBondContact O-N 2.99Å; S51-A53 VanDerWaalsContact C-N 3.31Å; S51-A53 PolarHBondContact O-N 2.96Å; A53-L56 PolarHBondContact O-N 3.06Å; A53-Q57 VanDerWaalsContact O-CG 3.28Å; A53-Q57 WeakPolarHBondContact O-CG 3.37Å; A53-Q57 PolarHBondContact O-N 3.25Å
54L97.8Very high93.3Very high20 Ų2066.4 Ų66.411%0.10537%0.367CS..Hα-helixtrans-64.1-42.7174.7-72.6166.9000111.8Q50 S51 Q57 G58 R73 Q76 A77 L80Q50-L54 HydrophobicContact CG-CD1 4.48Å; Q50-L54 WeakPolarHBondContact O-CG 3.46Å; Q50-L54 PolarHBondContact O-N 3.34Å; S51-L54 WeakPolarHBondContact O-CB 3.38Å; S51-L54 PolarHBondContact O-N 2.93Å; L54-Q57 PolarHBondContact O-N 2.91Å; L54-G58 PolarHBondContact O-N 3.12Å; L54-R73 WeakPolarHBondContact O-CB 3.49Å; L54-Q76 HydrophobicContact CD1-CB 3.96Å; L54-Q76 HydrophobicContact CD2-CB 4.16Å; L54-A77 HydrophobicContact CB-CB 3.9Å; L54-L80 HydrophobicContact CD1-CD2 4.39Å
55E95.1Very high93Very high9 Ų965.5 Ų65.54%0.04237%0.371CS..Hα-helixtrans-62.8-42.9175.1-76.4168.4-104.600111.9S51 K52 Q57 G58 V59 F74 A77 R84 S86 A87 N90S51-E55 WeakPolarHBondContact O-CG 3.45Å; S51-E55 PolarHBondContact O-N 3.11Å; S51-E55 PolarHBondContact OG-OE1 3.37Å; K52-E55 PolarHBondContact O-N 3.15Å; E55-Q57 PolarHBondContact O-N 3.47Å; E55-G58 PolarHBondContact O-N 2.99Å; E55-V59 WeakPolarHBondContact O-CG2 3.27Å; E55-V59 PolarHBondContact O-N 3.39Å; E55-F74 HydrophobicContact CB-CE1 4.43Å; E55-F74 HydrophobicContact CG-CD1 4.27Å; E55-F74 VanDerWaalsContact O-CE1 3.3Å; E55-F74 WeakPolarHBondContact O-CE1 3.42Å; E55-A77 HydrophobicContact CG-CB 3.83Å; E55-R84 IonicContact OE1-CZ 2.72Å; E55-R84 IonicContact OE1-NH1 3.55Å; E55-R84 PolarHBondContact OE1-NH1 2.59Å; E55-R84 IonicContact OE2-NH1 3.94Å; E55-R84 PolarHBondContact OE2-NH1 3.16Å; E55-S86 WeakPolarHBondContact OE2-CB 3.38Å; E55-S86 PolarHBondContact OE2-OG 3.25Å; E55-A87 HydrophobicContact CG-CB 4.13Å; E55-A87 PolarHBondContact OE2-N 3.36Å; E55-N90 PolarHBondContact OE2-ND2 2.72Å; E55-N90 VanDerWaalsContact OE2-ND2 3.15Å
56L94.9Very high93.2Very high109 Ų10961.2 Ų61.257%0.57135%0.353SS*.Hα-helixtrans-61.8-44.4176.1-178.862.1000111.4K52 A53 G58 V59 M60K52-L56 WeakPolarHBondContact O-CB 3.49Å; K52-L56 PolarHBondContact O-N 2.98Å; A53-L56 PolarHBondContact O-N 3.06Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.49Å; L56-V59 PolarHBondContact O-N 3.17Å; L56-M60 HydrophobicContact CG-SD 4.47Å; L56-M60 WeakPolarHBondContact O-CG 3.49Å; L56-M60 PolarHBondContact O-N 3.25Å
57Q95.9Very high93.1Very high86 Ų8659 Ų5940%0.40233%0.329SS..Hα-helixtrans-59.9-41.3174.3-72.4172.310.600111.7A53 L54 E55 M60 A61 R73A53-Q57 VanDerWaalsContact O-CG 3.28Å; A53-Q57 WeakPolarHBondContact O-CG 3.37Å; A53-Q57 PolarHBondContact O-N 3.25Å; L54-Q57 PolarHBondContact O-N 2.91Å; E55-Q57 PolarHBondContact O-N 3.47Å; Q57-M60 PolarHBondContact O-N 3.38Å; Q57-A61 WeakPolarHBondContact O-CB 3.5Å; Q57-A61 PolarHBondContact O-N 2.98Å; Q57-R73 HydrophobicContact CB-CG 4.17Å
58G95.4Very high93.3Very high0 Ų059.3 Ų59.30%034%0.341CS..Hα-helixtrans-63.5-40.7176.300000112.7L54 E55 L56 A61 A62 A70L54-G58 PolarHBondContact O-N 3.12Å; E55-G58 PolarHBondContact O-N 2.99Å; L56-G58 VanDerWaalsContact C-N 3.29Å; L56-G58 PolarHBondContact O-N 3.49Å; G58-A61 PolarHBondContact O-N 3.07Å; G58-A62 WeakPolarHBondContact O-CB 3.43Å; G58-A62 PolarHBondContact O-N 3.27Å; G58-A70 VanDerWaalsContact O-CB 3.26Å; G58-A70 WeakPolarHBondContact O-CB 3.37Å
59V91.4Very high93.5Very high48 Ų4860.8 Ų60.829%0.29135%0.35SS..Hα-helixtrans-63.8-48.4175.2171.20000110.6E55 L56 A61 A62 E63 F74E55-V59 WeakPolarHBondContact O-CG2 3.27Å; E55-V59 PolarHBondContact O-N 3.39Å; L56-V59 PolarHBondContact O-N 3.17Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 2.61Å; V59-A62 PolarHBondContact O-N 2.97Å; V59-A62 VanDerWaalsContact O-N 3.13Å; V59-E63 HydrophobicContact CG1-CG 4.4Å; V59-E63 WeakPolarHBondContact O-CG 3.21Å; V59-E63 PolarHBondContact O-N 3.06Å; V59-F74 HydrophobicContact CG2-CE1 4.16Å; V59-F74 HydrophobicContact CG2-CZ 4Å
60M92.6Very high93.5Very high116 Ų11656 Ų5657%0.57133%0.328SS*.Hα-helixtrans-59.4-40.3177.7-69.2-179.472.600112.1L56 Q57 E63 A64L56-M60 HydrophobicContact CG-SD 4.47Å; L56-M60 WeakPolarHBondContact O-CG 3.49Å; L56-M60 PolarHBondContact O-N 3.25Å; Q57-M60 PolarHBondContact O-N 3.38Å; M60-E63 PolarHBondContact O-N 3.46Å; M60-A64 WeakPolarHBondContact O-CB 3.26Å; M60-A64 PolarHBondContact O-N 3.44Å
61A89.2Confident93.6Very high13 Ų1352.1 Ų52.111%0.10731%0.311CS..Hα-helixtrans-65.2-42.6175.500000112Q57 G58 V59 E63 A64 G65 D66 T69 A70Q57-A61 WeakPolarHBondContact O-CB 3.5Å; Q57-A61 PolarHBondContact O-N 2.98Å; G58-A61 PolarHBondContact O-N 3.07Å; V59-A61 VanDerWaalsContact C-N 3.29Å; V59-A61 PolarHBondContact O-N 2.61Å; A61-E63 PolarHBondContact O-N 3.09Å; A61-A64 CarbonylContact O-C 3.53Å; A61-A64 PolarHBondContact O-N 3.13Å; A61-G65 PolarHBondContact O-N 2.96Å; A61-G65 VanDerWaalsContact O-N 3.17Å; A61-D66 PolarHBondContact O-N 3.05Å; A61-T69 HydrophobicContact CB-CG2 3.91Å; A61-A70 HydrophobicContact CB-CB 4.12Å
62A86.4Confident93.7Very high24 Ų2457.2 Ų57.220%0.19833%0.334CS..Hα-helixtrans-64.1-39.917700000112.2G58 V59 A64 G65 L67 A70G58-A62 WeakPolarHBondContact O-CB 3.43Å; G58-A62 PolarHBondContact O-N 3.27Å; V59-A62 PolarHBondContact O-N 2.97Å; V59-A62 VanDerWaalsContact O-N 3.13Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 3.39Å; A62-G65 PolarHBondContact O-N 2.97Å; A62-L67 HydrophobicContact CB-CD2 4.47Å; A62-A70 HydrophobicContact CB-CB 3.82Å
63E88.8Confident93.9Very high158 Ų15857.7 Ų57.774%0.73834%0.335SS*.Hα-helixtrans-65.1-33.7174.7-72.4178.5169.200112.2V59 M60 A61 G65V59-E63 HydrophobicContact CG1-CG 4.4Å; V59-E63 WeakPolarHBondContact O-CG 3.21Å; V59-E63 PolarHBondContact O-N 3.06Å; M60-E63 PolarHBondContact O-N 3.46Å; A61-E63 PolarHBondContact O-N 3.09Å; E63-G65 PolarHBondContact O-N 3.43Å
64A90.6Very high93.9Very high86 Ų8655.7 Ų55.771%0.71132%0.317SS*.THydrogen-bonded Turntrans-75.6-4.117200000113.7M60 A61 A62 D66M60-A64 WeakPolarHBondContact O-CB 3.26Å; M60-A64 PolarHBondContact O-N 3.44Å; A61-A64 CarbonylContact O-C 3.53Å; A61-A64 PolarHBondContact O-N 3.13Å; A62-A64 VanDerWaalsContact C-N 3.3Å; A62-A64 PolarHBondContact O-N 3.39Å; A64-D66 VanDerWaalsContact C-N 3.31Å
65G86.3Confident93.9Very high55 Ų5555.7 Ų55.757%0.56732%0.322SS*.THydrogen-bonded Turntrans82.30.9-178.100000114.9A61 A62 E63 L67A61-G65 PolarHBondContact O-N 2.96Å; A61-G65 VanDerWaalsContact O-N 3.17Å; A62-G65 PolarHBondContact O-N 2.97Å; E63-G65 PolarHBondContact O-N 3.43Å; G65-L67 VanDerWaalsContact C-N 3.33Å; G65-L67 PolarHBondContact O-N 3.13Å
66D95.9Very high94.1Very high62 Ų6258.6 Ų58.633%0.33234%0.335SS..  trans-83.877.9174.9-174.2-6000110.5A61 A64 S68 T69 A70A61-D66 PolarHBondContact O-N 3.05Å; A64-D66 VanDerWaalsContact C-N 3.31Å; D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 2.92Å; D66-S68 PolarHBondContact OD1-N 3.42Å; D66-S68 PolarHBondContact OD1-OG 3.21Å; D66-T69 VanDerWaalsContact CG-CB 3.45Å; D66-T69 PolarHBondContact O-N 3.32Å; D66-T69 PolarHBondContact OD1-N 3.39Å; D66-T69 PolarHBondContact OD1-OG1 3Å; D66-T69 WeakPolarHBondContact OD2-CB 3.49Å; D66-T69 PolarHBondContact OD2-OG1 3.43Å; D66-A70 WeakPolarHBondContact O-CB 3.49Å; D66-A70 PolarHBondContact O-N 3.43Å
67L90.4Very high94.2Very high35 Ų3553.4 Ų53.418%0.18331%0.308CS..Hα-helixtrans-65.2-30.1-179.5-60.4180000112.6A62 G65 A70 L71 L97 Q98A62-L67 HydrophobicContact CB-CD2 4.47Å; G65-L67 VanDerWaalsContact C-N 3.33Å; G65-L67 PolarHBondContact O-N 3.13Å; L67-A70 PolarHBondContact O-N 3.04Å; L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 3.4Å; L67-L97 HydrophobicContact CD1-CB 3.89Å; L67-L97 HydrophobicContact CD2-CB 3.87Å; L67-L97 HydrophobicContact CD2-CD1 4.09Å; L67-Q98 HydrophobicContact CD1-CB 4.05Å
68S97.3Very high94.3Very high88 Ų8850 Ų5062%0.61529%0.292SS*.Hα-helixtrans-60.8-53.6175.625.90000111.6D66 A70 L71 E72D66-S68 VanDerWaalsContact C-N 3.27Å; D66-S68 PolarHBondContact O-N 2.92Å; D66-S68 PolarHBondContact OD1-N 3.42Å; D66-S68 PolarHBondContact OD1-OG 3.21Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.47Å; S68-L71 PolarHBondContact O-N 2.85Å; S68-E72 PolarHBondContact O-N 3.14Å; S68-E72 VanDerWaalsContact O-N 3.09Å
69T97.1Very high94.4Very high42 Ų4255.1 Ų55.126%0.25833%0.327SS..Hα-helixtrans-64.2-39.8177.8-62.60000110.5A61 D66 L71 E72 R73A61-T69 HydrophobicContact CB-CG2 3.91Å; D66-T69 VanDerWaalsContact CG-CB 3.45Å; D66-T69 PolarHBondContact O-N 3.32Å; D66-T69 PolarHBondContact OD1-N 3.39Å; D66-T69 PolarHBondContact OD1-OG1 3Å; D66-T69 WeakPolarHBondContact OD2-CB 3.49Å; D66-T69 PolarHBondContact OD2-OG1 3.43Å; T69-L71 PolarHBondContact O-N 3.18Å; T69-E72 PolarHBondContact O-N 2.9Å; T69-R73 HydrophobicContact CG2-CG 4.2Å; T69-R73 VanDerWaalsContact O-CG 3.28Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.22Å
70A94.9Very high94.7Very high0 Ų054.9 Ų54.90%032%0.324CS..Hα-helixtrans-55.8-49.6177.100000112.2G58 A61 A62 D66 L67 S68 E72 R73 F74 A94G58-A70 VanDerWaalsContact O-CB 3.26Å; G58-A70 WeakPolarHBondContact O-CB 3.37Å; A61-A70 HydrophobicContact CB-CB 4.12Å; A62-A70 HydrophobicContact CB-CB 3.82Å; D66-A70 WeakPolarHBondContact O-CB 3.49Å; D66-A70 PolarHBondContact O-N 3.43Å; L67-A70 PolarHBondContact O-N 3.04Å; S68-A70 VanDerWaalsContact C-N 3.31Å; S68-A70 PolarHBondContact O-N 3.47Å; A70-E72 VanDerWaalsContact C-N 3.34Å; A70-E72 PolarHBondContact O-N 2.96Å; A70-R73 PolarHBondContact O-N 3.49Å; A70-F74 HydrophobicContact CB-CD2 4.48Å; A70-F74 HydrophobicContact CB-CE2 4.04Å; A70-F74 WeakPolarHBondContact O-CD2 3.45Å; A70-F74 VanDerWaalsContact O-CG 3.3Å; A70-F74 WeakPolarHBondContact O-CG 3.26Å; A70-F74 PolarHBondContact O-N 2.83Å; A70-A94 HydrophobicContact CB-CB 4.35Å
71L97.9Very high94.9Very high32 Ų3249.8 Ų49.817%0.16830%0.299CS..Hα-helixtrans-64.8-37.5179.6-71171.1000112.8L67 S68 T69 G75 R91 A94 R95L67-L71 WeakPolarHBondContact O-CB 3.42Å; L67-L71 VanDerWaalsContact O-CG 3.26Å; L67-L71 WeakPolarHBondContact O-CG 3.39Å; L67-L71 PolarHBondContact O-N 3.4Å; S68-L71 PolarHBondContact O-N 2.85Å; T69-L71 PolarHBondContact O-N 3.18Å; L71-G75 PolarHBondContact O-N 3.42Å; L71-R91 HydrophobicContact CD2-CG 3.65Å; L71-A94 HydrophobicContact CD2-CB 3.68Å; L71-A94 HydrophobicContact CG-CB 4.08Å; L71-R95 HydrophobicContact CD2-CG 3.6Å
72E98.3Very high95.2Very high106 Ų10652.5 Ų52.550%0.49532%0.315SS..Hα-helixtrans-61.1-49.1174.3-170.7-170.8166.500110.8S68 T69 A70 F74 G75 Q76S68-E72 PolarHBondContact O-N 3.14Å; S68-E72 VanDerWaalsContact O-N 3.09Å; T69-E72 PolarHBondContact O-N 2.9Å; A70-E72 VanDerWaalsContact C-N 3.34Å; A70-E72 PolarHBondContact O-N 2.96Å; E72-F74 PolarHBondContact O-N 3.47Å; E72-G75 WeakPolarHBondContact O-CA 3.28Å; E72-G75 PolarHBondContact O-N 3.43Å; E72-G75 VanDerWaalsContact O-N 3.14Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 2.76Å; E72-Q76 PolarHBondContact OE1-NE2 3.17Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å
73R98.1Very high95.6Very high77 Ų7757.8 Ų57.829%0.29134%0.336SS..Hα-helixtrans-63.9-42.9-179.3-63-62169.7174.1-4112.2L54 Q57 T69 A70 G75 Q76 A77L54-R73 WeakPolarHBondContact O-CB 3.49Å; Q57-R73 HydrophobicContact CB-CG 4.17Å; T69-R73 HydrophobicContact CG2-CG 4.2Å; T69-R73 VanDerWaalsContact O-CG 3.28Å; T69-R73 WeakPolarHBondContact O-CG 3.34Å; T69-R73 PolarHBondContact O-N 3.22Å; A70-R73 PolarHBondContact O-N 3.49Å; R73-G75 VanDerWaalsContact C-N 3.32Å; R73-G75 PolarHBondContact O-N 3.32Å; R73-Q76 PolarHBondContact O-N 2.99Å; R73-A77 PolarHBondContact O-N 3.4Å
74F97.7Very high95.8Very high4 Ų451 Ų512%0.01830%0.304CS..Hα-helixtrans-65.3-36.5173.5-60.6-45.1000112.3E55 V59 A70 E72 A77 I78 N90 R91 A94E55-F74 HydrophobicContact CB-CE1 4.43Å; E55-F74 HydrophobicContact CG-CD1 4.27Å; E55-F74 VanDerWaalsContact O-CE1 3.3Å; E55-F74 WeakPolarHBondContact O-CE1 3.42Å; V59-F74 HydrophobicContact CG2-CE1 4.16Å; V59-F74 HydrophobicContact CG2-CZ 4Å; A70-F74 HydrophobicContact CB-CD2 4.48Å; A70-F74 HydrophobicContact CB-CE2 4.04Å; A70-F74 WeakPolarHBondContact O-CD2 3.45Å; A70-F74 VanDerWaalsContact O-CG 3.3Å; A70-F74 WeakPolarHBondContact O-CG 3.26Å; A70-F74 PolarHBondContact O-N 2.83Å; E72-F74 PolarHBondContact O-N 3.47Å; F74-A77 PolarHBondContact O-N 2.86Å; F74-I78 VanDerWaalsContact O-CG1 3.29Å; F74-I78 WeakPolarHBondContact O-CG1 3.37Å; F74-I78 PolarHBondContact O-N 3.35Å; F74-N90 HydrophobicContact CD1-CB 3.7Å; F74-N90 HydrophobicContact CD2-CB 4.45Å; F74-N90 HydrophobicContact CE1-CB 3.38Å; F74-N90 HydrophobicContact CE2-CB 4.17Å; F74-N90 HydrophobicContact CG-CB 4.24Å; F74-N90 HydrophobicContact CZ-CB 3.65Å; F74-R91 HydrophobicContact CB-CB 3.77Å; F74-R91 HydrophobicContact CB-CG 4.02Å; F74-R91 HydrophobicContact CD2-CB 4.29Å; F74-R91 HydrophobicContact CG-CB 4.28Å; F74-A94 HydrophobicContact CD2-CB 4.21Å; F74-A94 HydrophobicContact CE2-CB 3.98Å
75G98.4Very high96Very high19 Ų1947.3 Ų47.320%0.19627%0.273CS..Hα-helixtrans-60.1-45.6172.800000112.3L71 E72 R73 A77 I78 C79L71-G75 PolarHBondContact O-N 3.42Å; E72-G75 WeakPolarHBondContact O-CA 3.28Å; E72-G75 PolarHBondContact O-N 3.43Å; E72-G75 VanDerWaalsContact O-N 3.14Å; R73-G75 VanDerWaalsContact C-N 3.32Å; R73-G75 PolarHBondContact O-N 3.32Å; G75-A77 PolarHBondContact O-N 3.4Å; G75-I78 PolarHBondContact O-N 3.37Å; G75-C79 PolarHBondContact O-N 3.15Å; G75-C79 PolarHBondContact O-SG 2.85Å; G75-C79 VanDerWaalsContact O-SG 3.36Å
76Q98.4Very high96.3Very high70 Ų7045.7 Ų45.733%0.32725%0.253SS..Hα-helixtrans-62.7-41.5175.4-69.2173.94.500111.9L54 E72 R73 I78 C79 L80L54-Q76 HydrophobicContact CD1-CB 3.96Å; L54-Q76 HydrophobicContact CD2-CB 4.16Å; E72-Q76 WeakPolarHBondContact O-CG 3.41Å; E72-Q76 PolarHBondContact O-N 2.76Å; E72-Q76 PolarHBondContact OE1-NE2 3.17Å; E72-Q76 VanDerWaalsContact OE1-NE2 3.14Å; R73-Q76 PolarHBondContact O-N 2.99Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 3.48Å; Q76-C79 PolarHBondContact O-N 3.35Å; Q76-L80 WeakPolarHBondContact O-CB 3.33Å; Q76-L80 PolarHBondContact O-N 2.97Å
77A97.8Very high96.3Very high0 Ų042.7 Ų42.70%024%0.237CC..Hα-helixtrans-60.4-43.6175.100000111.8L54 E55 R73 F74 G75 L80 L81 A87L54-A77 HydrophobicContact CB-CB 3.9Å; E55-A77 HydrophobicContact CG-CB 3.83Å; R73-A77 PolarHBondContact O-N 3.4Å; F74-A77 PolarHBondContact O-N 2.86Å; G75-A77 PolarHBondContact O-N 3.4Å; A77-L80 PolarHBondContact O-N 3.18Å; A77-L81 PolarHBondContact O-N 2.93Å; A77-A87 HydrophobicContact CB-CB 4.15Å
78I98Very high96.6Very high14 Ų1442.1 Ų42.17%0.07223%0.233CC..Hα-helixtrans-65.3-40.2176.2-70.1165000111.5F74 G75 Q76 L80 L81 P82 A87 Y88 R91F74-I78 VanDerWaalsContact O-CG1 3.29Å; F74-I78 WeakPolarHBondContact O-CG1 3.37Å; F74-I78 PolarHBondContact O-N 3.35Å; G75-I78 PolarHBondContact O-N 3.37Å; Q76-I78 VanDerWaalsContact C-N 3.34Å; Q76-I78 PolarHBondContact O-N 3.48Å; I78-L80 PolarHBondContact O-N 3.01Å; I78-L81 CarbonylContact O-C 3.56Å; I78-L81 VanDerWaalsContact O-C 3.28Å; I78-P82 WeakPolarHBondContact O-CA 3.48Å; I78-P82 WeakPolarHBondContact O-CD 3.3Å; I78-P82 WeakPolarHBondContact O-CG 3.33Å; I78-A87 HydrophobicContact CD1-CB 4.47Å; I78-A87 HydrophobicContact CG1-CB 3.64Å; I78-Y88 HydrophobicContact CD1-CD1 3.86Å; I78-Y88 HydrophobicContact CD1-CD2 4.48Å; I78-Y88 HydrophobicContact CD1-CE1 4.02Å; I78-Y88 HydrophobicContact CD1-CG 4.11Å; I78-Y88 HydrophobicContact CG1-CD1 4.43Å; I78-Y88 HydrophobicContact CG1-CD2 4.29Å; I78-Y88 HydrophobicContact CG1-CE1 4.35Å; I78-Y88 HydrophobicContact CG1-CE2 4.19Å; I78-Y88 HydrophobicContact CG1-CG 4.42Å; I78-Y88 HydrophobicContact CG2-CE1 3.93Å; I78-Y88 HydrophobicContact CG2-CE2 4.17Å; I78-Y88 WeakPolarHBondContact CG2-OH 3.31Å; I78-R91 HydrophobicContact CD1-CB 4.3Å
79C97.8Very high96.5Very high108 Ų10838 Ų3873%0.7320%0.204SC*.Hα-helixtrans-63-34.6175.1-72.20000112.1G75 Q76G75-C79 PolarHBondContact O-N 3.15Å; G75-C79 PolarHBondContact O-SG 2.85Å; G75-C79 VanDerWaalsContact O-SG 3.36Å; Q76-C79 PolarHBondContact O-N 3.35Å
80L96.8Very high96.3Very high43 Ų4337.6 Ų37.623%0.22520%0.2CC..Hα-helixtrans-75.1-45.4179.7-17464.5000112.3Q47 Q50 L54 Q76 A77 I78Q47-L80 HydrophobicContact CB-CD1 4.48Å; Q47-L80 HydrophobicContact CB-CG 4.37Å; Q47-L80 HydrophobicContact CG-CD1 4.28Å; Q47-L80 WeakPolarHBondContact O-CD2 3.38Å; Q50-L80 HydrophobicContact CB-CD2 3.66Å; Q50-L80 HydrophobicContact CG-CD2 3.56Å; L54-L80 HydrophobicContact CD1-CD2 4.39Å; Q76-L80 WeakPolarHBondContact O-CB 3.33Å; Q76-L80 PolarHBondContact O-N 2.97Å; A77-L80 PolarHBondContact O-N 3.18Å; I78-L80 PolarHBondContact O-N 3.01Å
81L96.4Very high96.4Very high9 Ų939.7 Ų39.75%0.04721%0.208CC..  trans-130.284.1176.7-69.2-178.7000110.9F43 Q47 L48 A77 I78 E83 R84F43-L81 HydrophobicContact CB-CD1 4.15Å; F43-L81 HydrophobicContact CB-CD2 4.44Å; F43-L81 HydrophobicContact CD1-CD1 4.37Å; F43-L81 HydrophobicContact CD1-CD2 4.03Å; F43-L81 HydrophobicContact CG-CD1 4.14Å; F43-L81 HydrophobicContact CG-CD2 4.46Å; Q47-L81 HydrophobicContact CB-CD2 3.97Å; Q47-L81 HydrophobicContact CB-CG 4.32Å; L48-L81 HydrophobicContact CB-CD1 4.34Å; L48-L81 HydrophobicContact CD1-CD1 4.21Å; A77-L81 PolarHBondContact O-N 2.93Å; I78-L81 CarbonylContact O-C 3.56Å; I78-L81 VanDerWaalsContact O-C 3.28Å; L81-E83 PolarHBondContact O-N 3.38Å; L81-E83 VanDerWaalsContact O-N 3.1Å; L81-R84 HydrophobicContact CB-CB 3.86Å; L81-R84 WeakPolarHBondContact O-CB 3.16Å; L81-R84 PolarHBondContact O-N 2.62Å; L81-R84 VanDerWaalsContact O-N 3.08Å
82P96.5Very high96.3Very high70 Ų7038.1 Ų38.146%0.45520%0.2SC..THydrogen-bonded Turntrans-64.4-18.7-175.8-23.333.5000114.9I78 Y88I78-P82 WeakPolarHBondContact O-CA 3.48Å; I78-P82 WeakPolarHBondContact O-CD 3.3Å; I78-P82 WeakPolarHBondContact O-CG 3.33Å; P82-Y88 VanDerWaalsContact O-CE2 3.23Å; P82-Y88 WeakPolarHBondContact O-CE2 3.39Å; P82-Y88 PolarHBondContact O-OH 3.42Å
83E95.1Very high95.9Very high135 Ų13537.2 Ų37.263%0.63120%0.196SC*.THydrogen-bonded Turntrans-96.4-1.4-179.4-61.6-171.9161.600112.9F43 L81 A85 L114F43-E83 HydrophobicContact CE1-CB 4.06Å; F43-E83 HydrophobicContact CZ-CB 4.45Å; L81-E83 PolarHBondContact O-N 3.38Å; L81-E83 VanDerWaalsContact O-N 3.1Å; E83-A85 PolarHBondContact O-N 3.16Å; E83-L114 HydrophobicContact CB-CD2 4.27Å; E83-L114 HydrophobicContact CG-CD2 4.45Å
84R93.1Very high95.6Very high16 Ų1633.6 Ų33.66%0.0618%0.182CC..  trans-82.6103.4179.2-165.1173.2-165.2-103.2-13.6110.9D40 F43 L48 E55 L81 S86 A87 Y88D40-R84 IonicContact OD1-CZ 2.76Å; D40-R84 IonicContact OD1-NE 2.93Å; D40-R84 PolarHBondContact OD1-NE 3.11Å; D40-R84 IonicContact OD1-NH2 3.17Å; D40-R84 PolarHBondContact OD1-NH2 2.87Å; D40-R84 IonicContact OD2-NH2 3.78Å; D40-R84 PolarHBondContact OD2-NH2 2.85Å; F43-R84 HydrophobicContact CE2-CB 4.43Å; F43-R84 HydrophobicContact CE2-CG 4.3Å; F43-R84 HydrophobicContact CZ-CB 4.27Å; L48-R84 VanDerWaalsContact CD1-NE 3.35Å; E55-R84 IonicContact OE1-CZ 2.72Å; E55-R84 IonicContact OE1-NH1 3.55Å; E55-R84 PolarHBondContact OE1-NH1 2.59Å; E55-R84 IonicContact OE2-NH1 3.94Å; E55-R84 PolarHBondContact OE2-NH1 3.16Å; L81-R84 HydrophobicContact CB-CB 3.86Å; L81-R84 WeakPolarHBondContact O-CB 3.16Å; L81-R84 PolarHBondContact O-N 2.62Å; L81-R84 VanDerWaalsContact O-N 3.08Å; R84-S86 VanDerWaalsContact C-N 3.26Å; R84-S86 PolarHBondContact NH1-OG 3.4Å; R84-S86 PolarHBondContact O-N 3.46Å; R84-A87 PolarHBondContact O-N 2.93Å; R84-Y88 WeakPolarHBondContact O-CD2 3.41Å
85A94.9Very high95.3Very high9 Ų935.8 Ų35.87%0.07419%0.19CC..Hα-helixtrans-60.4-29.4-175.400000114.5E83 A87 Y88 N89 A111 L114 A121E83-A85 PolarHBondContact O-N 3.16Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 2.83Å; A85-Y88 PolarHBondContact O-N 2.62Å; A85-N89 PolarHBondContact O-N 3.28Å; A85-A111 HydrophobicContact CB-CB 4.4Å; A85-L114 HydrophobicContact CB-CB 3.97Å; A85-A121 HydrophobicContact CB-CB 3.55Å
86S92.1Very high94.9Very high20 Ų2038.3 Ų38.314%0.1419%0.194CC..Hα-helixtrans-62.5-37.7-178.467.40000112.9E55 R84 Y88 N89 N90E55-S86 WeakPolarHBondContact OE2-CB 3.38Å; E55-S86 PolarHBondContact OE2-OG 3.25Å; R84-S86 VanDerWaalsContact C-N 3.26Å; R84-S86 PolarHBondContact NH1-OG 3.4Å; R84-S86 PolarHBondContact O-N 3.46Å; S86-Y88 VanDerWaalsContact C-N 3.32Å; S86-Y88 PolarHBondContact O-N 3.42Å; S86-N89 WeakPolarHBondContact O-CB 3.33Å; S86-N89 PolarHBondContact O-N 3.36Å; S86-N89 VanDerWaalsContact O-N 3.16Å; S86-N90 PolarHBondContact O-N 3.3Å; S86-N90 PolarHBondContact O-ND2 3.29Å
87A94.4Very high94.4Very high0 Ų039.6 Ų39.60%020%0.202CC..Hα-helixtrans-66-37-177.200000111.6E55 A77 I78 R84 A85 N90 R91E55-A87 HydrophobicContact CG-CB 4.13Å; E55-A87 PolarHBondContact OE2-N 3.36Å; A77-A87 HydrophobicContact CB-CB 4.15Å; I78-A87 HydrophobicContact CD1-CB 4.47Å; I78-A87 HydrophobicContact CG1-CB 3.64Å; R84-A87 PolarHBondContact O-N 2.93Å; A85-A87 VanDerWaalsContact C-N 3.33Å; A85-A87 PolarHBondContact O-N 2.83Å; A87-N90 PolarHBondContact O-N 2.7Å; A87-R91 WeakPolarHBondContact O-CB 3.48Å; A87-R91 PolarHBondContact O-N 3.06Å
88Y97.9Very high94Very high23 Ų2345.2 Ų45.29%0.0923%0.229CC..Hα-helixtrans-66.4-41.8172.2-66-89.5000112.1I78 P82 R84 A85 S86 N90 R91 A92 D107 R110 L114I78-Y88 HydrophobicContact CD1-CD1 3.86Å; I78-Y88 HydrophobicContact CD1-CD2 4.48Å; I78-Y88 HydrophobicContact CD1-CE1 4.02Å; I78-Y88 HydrophobicContact CD1-CG 4.11Å; I78-Y88 HydrophobicContact CG1-CD1 4.43Å; I78-Y88 HydrophobicContact CG1-CD2 4.29Å; I78-Y88 HydrophobicContact CG1-CE1 4.35Å; I78-Y88 HydrophobicContact CG1-CE2 4.19Å; I78-Y88 HydrophobicContact CG1-CG 4.42Å; I78-Y88 HydrophobicContact CG2-CE1 3.93Å; I78-Y88 HydrophobicContact CG2-CE2 4.17Å; I78-Y88 WeakPolarHBondContact CG2-OH 3.31Å; P82-Y88 VanDerWaalsContact O-CE2 3.23Å; P82-Y88 WeakPolarHBondContact O-CE2 3.39Å; P82-Y88 PolarHBondContact O-OH 3.42Å; R84-Y88 WeakPolarHBondContact O-CD2 3.41Å; A85-Y88 PolarHBondContact O-N 2.62Å; S86-Y88 VanDerWaalsContact C-N 3.32Å; S86-Y88 PolarHBondContact O-N 3.42Å; Y88-N90 VanDerWaalsContact C-N 3.31Å; Y88-N90 PolarHBondContact O-N 2.91Å; Y88-R91 PolarHBondContact O-N 2.86Å; Y88-A92 WeakPolarHBondContact O-CB 3.49Å; Y88-A92 PolarHBondContact O-N 2.88Å; Y88-D107 WeakPolarHBondContact CB-O 3.49Å; Y88-R110 HydrophobicContact CD1-CB 4.03Å; Y88-R110 HydrophobicContact CD1-CG 3.88Å; Y88-R110 HydrophobicContact CD2-CG 4.48Å; Y88-R110 HydrophobicContact CE1-CB 4.23Å; Y88-R110 HydrophobicContact CE1-CG 3.61Å; Y88-R110 HydrophobicContact CE2-CG 4.26Å; Y88-R110 HydrophobicContact CG-CB 4.45Å; Y88-R110 HydrophobicContact CG-CG 4.29Å; Y88-L114 HydrophobicContact CD2-CD1 3.75Å; Y88-L114 HydrophobicContact CE2-CD1 3.43Å; Y88-L114 VanDerWaalsContact CE2-CD1 3.43Å
89N94.4Very high93.5Very high1 Ų147.2 Ų47.21%0.00525%0.253CS..Hα-helixtrans-59.1-43.1174.9-88.8-29.7000112.5A85 S86 A92 Q93 L108 A121 S125A85-N89 PolarHBondContact O-N 3.28Å; S86-N89 WeakPolarHBondContact O-CB 3.33Å; S86-N89 PolarHBondContact O-N 3.36Å; S86-N89 VanDerWaalsContact O-N 3.16Å; N89-A92 PolarHBondContact O-N 3.38Å; N89-Q93 PolarHBondContact O-N 3.41Å; N89-Q93 VanDerWaalsContact O-N 3.17Å; N89-L108 WeakPolarHBondContact OD1-CD2 3.4Å; N89-A121 PolarHBondContact ND2-O 2.85Å; N89-S125 VanDerWaalsContact CG-OG 3.25Å; N89-S125 PolarHBondContact ND2-OG 3.37Å; N89-S125 VanDerWaalsContact ND2-OG 3.16Å; N89-S125 WeakPolarHBondContact OD1-CA 3.31Å; N89-S125 WeakPolarHBondContact OD1-CB 3.27Å; N89-S125 PolarHBondContact OD1-OG 3.16Å
90N92.5Very high93.3Very high34 Ų3445.1 Ų45.118%0.18223%0.234CC..Hα-helixtrans-67.7-43.1179-67.4-26.2000111.1E55 F74 S86 A87 Y88 A92 Q93 A94E55-N90 PolarHBondContact OE2-ND2 2.72Å; E55-N90 VanDerWaalsContact OE2-ND2 3.15Å; F74-N90 HydrophobicContact CD1-CB 3.7Å; F74-N90 HydrophobicContact CD2-CB 4.45Å; F74-N90 HydrophobicContact CE1-CB 3.38Å; F74-N90 HydrophobicContact CE2-CB 4.17Å; F74-N90 HydrophobicContact CG-CB 4.24Å; F74-N90 HydrophobicContact CZ-CB 3.65Å; S86-N90 PolarHBondContact O-N 3.3Å; S86-N90 PolarHBondContact O-ND2 3.29Å; A87-N90 PolarHBondContact O-N 2.7Å; Y88-N90 VanDerWaalsContact C-N 3.31Å; Y88-N90 PolarHBondContact O-N 2.91Å; N90-A92 PolarHBondContact O-N 3.05Å; N90-Q93 WeakPolarHBondContact O-CB 3.41Å; N90-Q93 PolarHBondContact O-N 3.08Å; N90-A94 PolarHBondContact O-N 3.28Å
91R97.8Very high93Very high43 Ų4345.2 Ų45.216%0.16224%0.236CC..Hα-helixtrans-62.2-42.4175.2-162.9170.669.8-176.2-1.4112.3L71 F74 I78 A87 Y88 Q93 A94 R95 D107L71-R91 HydrophobicContact CD2-CG 3.65Å; F74-R91 HydrophobicContact CB-CB 3.77Å; F74-R91 HydrophobicContact CB-CG 4.02Å; F74-R91 HydrophobicContact CD2-CB 4.29Å; F74-R91 HydrophobicContact CG-CB 4.28Å; I78-R91 HydrophobicContact CD1-CB 4.3Å; A87-R91 WeakPolarHBondContact O-CB 3.48Å; A87-R91 PolarHBondContact O-N 3.06Å; Y88-R91 PolarHBondContact O-N 2.86Å; R91-Q93 VanDerWaalsContact C-N 3.25Å; R91-Q93 PolarHBondContact O-N 3.23Å; R91-A94 PolarHBondContact O-N 3.12Å; R91-A94 VanDerWaalsContact O-N 3.14Å; R91-R95 HydrophobicContact CG-CG 4.44Å; R91-R95 WeakPolarHBondContact O-CG 3.46Å; R91-R95 PolarHBondContact O-N 3.06Å; R91-D107 WeakPolarHBondContact CB-OD2 3.49Å; R91-D107 WeakPolarHBondContact CG-OD2 3.38Å; R91-D107 IonicContact CZ-OD1 3.43Å; R91-D107 IonicContact CZ-OD2 3.62Å; R91-D107 IonicContact NE-OD1 2.62Å; R91-D107 PolarHBondContact NE-OD1 2.98Å; R91-D107 IonicContact NE-OD2 3.72Å; R91-D107 PolarHBondContact NE-OD2 3.3Å; R91-D107 IonicContact NH2-OD1 2.66Å; R91-D107 PolarHBondContact NH2-OD1 3.26Å; R91-D107 IonicContact NH2-OD2 3.61Å
92A96.4Very high93.1Very high0 Ų047.8 Ų47.80%026%0.259CS..Hα-helixtrans-58-39.6176.300000112.3Y88 N89 N90 R95 R96 A104 D107 L108Y88-A92 WeakPolarHBondContact O-CB 3.49Å; Y88-A92 PolarHBondContact O-N 2.88Å; N89-A92 PolarHBondContact O-N 3.38Å; N90-A92 PolarHBondContact O-N 3.05Å; A92-R95 PolarHBondContact O-N 2.91Å; A92-R96 WeakPolarHBondContact O-CB 2.99Å; A92-R96 PolarHBondContact O-N 3.04Å; A92-A104 HydrophobicContact CB-CB 4.34Å; A92-A104 WeakPolarHBondContact CB-O 3.44Å; A92-A104 WeakPolarHBondContact O-CB 3.36Å; A92-D107 HydrophobicContact CB-CB 3.76Å; A92-L108 HydrophobicContact CB-CD1 4.21Å; A92-L108 HydrophobicContact CB-CD2 3.7Å; A92-L108 HydrophobicContact CB-CG 3.57Å
93Q89.8Confident93.1Very high86 Ų8644.7 Ų44.740%0.40224%0.24SC..Hα-helixtrans-62.4-46.4176.2-169.2168.6-1000111.5N89 N90 R91 R96 L97N89-Q93 PolarHBondContact O-N 3.41Å; N89-Q93 VanDerWaalsContact O-N 3.17Å; N90-Q93 WeakPolarHBondContact O-CB 3.41Å; N90-Q93 PolarHBondContact O-N 3.08Å; R91-Q93 VanDerWaalsContact C-N 3.25Å; R91-Q93 PolarHBondContact O-N 3.23Å; Q93-R96 PolarHBondContact O-N 3.49Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 3.37Å
94A90.7Very high93.1Very high1 Ų138.3 Ų38.31%0.00821%0.21CC..Hα-helixtrans-64.7-43.5177.400000112.1A70 L71 F74 N90 R91 R96 L97 Q98A70-A94 HydrophobicContact CB-CB 4.35Å; L71-A94 HydrophobicContact CD2-CB 3.68Å; L71-A94 HydrophobicContact CG-CB 4.08Å; F74-A94 HydrophobicContact CD2-CB 4.21Å; F74-A94 HydrophobicContact CE2-CB 3.98Å; N90-A94 PolarHBondContact O-N 3.28Å; R91-A94 PolarHBondContact O-N 3.12Å; R91-A94 VanDerWaalsContact O-N 3.14Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.12Å; A94-L97 WeakPolarHBondContact O-CB 3.34Å; A94-L97 PolarHBondContact O-N 3.21Å; A94-L97 VanDerWaalsContact O-N 3.13Å; A94-Q98 PolarHBondContact O-N 3.49Å
95R92.9Very high93.3Very high51 Ų5139.2 Ų39.219%0.19222%0.216CC..Hα-helixtrans-58.7-44174.8-74.9-174.6171.1174.1-7.2111.8L71 R91 A92 L97 Q98 G99 D100 G103 A104 D107L71-R95 HydrophobicContact CD2-CG 3.6Å; R91-R95 HydrophobicContact CG-CG 4.44Å; R91-R95 WeakPolarHBondContact O-CG 3.46Å; R91-R95 PolarHBondContact O-N 3.06Å; A92-R95 PolarHBondContact O-N 2.91Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.04Å; R95-Q98 CarbonylContact O-C 3.55Å; R95-Q98 WeakPolarHBondContact O-CB 3.09Å; R95-Q98 PolarHBondContact O-N 3.48Å; R95-Q98 VanDerWaalsContact O-N 3.13Å; R95-G99 PolarHBondContact O-N 2.9Å; R95-G99 VanDerWaalsContact O-N 3.09Å; R95-D100 CarbonylContact C-O 3.28Å; R95-D100 HydrophobicContact CB-CB 4.21Å; R95-D100 IonicContact NE-OD2 2.93Å; R95-D100 PolarHBondContact O-N 2.98Å; R95-G103 VanDerWaalsContact CD-C 3.44Å; R95-G103 WeakPolarHBondContact CD-O 3.34Å; R95-G103 PolarHBondContact NH1-O 3.16Å; R95-A104 HydrophobicContact CB-CB 4.01Å; R95-D107 WeakPolarHBondContact CD-OD2 3.11Å; R95-D107 IonicContact CZ-OD1 2.89Å; R95-D107 IonicContact CZ-OD2 3.93Å; R95-D107 IonicContact NE-OD2 3.97Å; R95-D107 IonicContact NH1-OD1 3.06Å; R95-D107 PolarHBondContact NH1-OD1 3.14Å; R95-D107 VanDerWaalsContact NH1-OD1 3.1Å; R95-D107 IonicContact NH1-OD2 3.84Å; R95-D107 PolarHBondContact NH1-OD2 3.3Å
96R90.1Very high93.5Very high71 Ų7144.8 Ų44.827%0.26824%0.24SC..Hα-helixtrans-59-44.1174.1179.7-179.576.3127.24.8112A92 Q93 A94 Q98 G99 A104 L132A92-R96 WeakPolarHBondContact O-CB 2.99Å; A92-R96 PolarHBondContact O-N 3.04Å; Q93-R96 PolarHBondContact O-N 3.49Å; A94-R96 VanDerWaalsContact C-N 3.33Å; A94-R96 PolarHBondContact O-N 3.12Å; R96-Q98 VanDerWaalsContact C-N 3.26Å; R96-Q98 PolarHBondContact O-N 3.17Å; R96-G99 PolarHBondContact O-N 3.13Å; R96-A104 HydrophobicContact CB-CB 4.2Å; R96-L132 HydrophobicContact CG-CD2 3.68Å
97L87Confident93.8Very high97 Ų9744 Ų4451%0.50824%0.235SC..Hα-helixtrans-65.2-31.2177.6-69.5172.2000112.2L67 Q93 A94 R95 G99L67-L97 HydrophobicContact CD1-CB 3.89Å; L67-L97 HydrophobicContact CD2-CB 3.87Å; L67-L97 HydrophobicContact CD2-CD1 4.09Å; Q93-L97 WeakPolarHBondContact O-CG 3.45Å; Q93-L97 PolarHBondContact O-N 3.37Å; A94-L97 WeakPolarHBondContact O-CB 3.34Å; A94-L97 PolarHBondContact O-N 3.21Å; A94-L97 VanDerWaalsContact O-N 3.13Å; R95-L97 VanDerWaalsContact C-N 3.34Å; R95-L97 PolarHBondContact O-N 3.04Å; L97-G99 PolarHBondContact O-N 2.95Å
98Q88.9Confident93.9Very high119 Ų11944 Ų4456%0.55624%0.235SC*.Hα-helixtrans-76.5-10.5173.3-162.2-177.9-200113L67 A94 R95 R96L67-Q98 HydrophobicContact CD1-CB 4.05Å; A94-Q98 PolarHBondContact O-N 3.49Å; R95-Q98 CarbonylContact O-C 3.55Å; R95-Q98 WeakPolarHBondContact O-CB 3.09Å; R95-Q98 PolarHBondContact O-N 3.48Å; R95-Q98 VanDerWaalsContact O-N 3.13Å; R96-Q98 VanDerWaalsContact C-N 3.26Å; R96-Q98 PolarHBondContact O-N 3.17Å
99G87.3Confident93.9Very high55 Ų5547.5 Ų47.557%0.56725%0.252SS*.THydrogen-bonded Turntrans89.10.7-176.200000114.5R95 R96 L97 V101R95-G99 PolarHBondContact O-N 2.9Å; R95-G99 VanDerWaalsContact O-N 3.09Å; R96-G99 PolarHBondContact O-N 3.13Å; L97-G99 PolarHBondContact O-N 2.95Å; G99-V101 VanDerWaalsContact C-N 3.28Å; G99-V101 PolarHBondContact O-N 3.31Å
100D94.6Very high94.1Very high65 Ų6552.3 Ų52.335%0.34827%0.27SS..  trans-78.977.417217919.7000110.5R95 A102 G103 A104R95-D100 CarbonylContact C-O 3.28Å; R95-D100 HydrophobicContact CB-CB 4.21Å; R95-D100 IonicContact NE-OD2 2.93Å; R95-D100 PolarHBondContact O-N 2.98Å; D100-A102 VanDerWaalsContact C-N 3.34Å; D100-G103 PolarHBondContact OD1-N 3.22Å; D100-G103 WeakPolarHBondContact OD2-CA 3.22Å; D100-A104 WeakPolarHBondContact O-CB 3.29Å; D100-A104 PolarHBondContact O-N 3.16Å; D100-A104 VanDerWaalsContact O-N 3.1Å
101V91Very high94.3Very high44 Ų4450.7 Ų50.727%0.26726%0.261SS..Hα-helixtrans-70-33.2-179.7178.20000111.8G99 A104 L105 L132G99-V101 VanDerWaalsContact C-N 3.28Å; G99-V101 PolarHBondContact O-N 3.31Å; V101-A104 PolarHBondContact O-N 3.48Å; V101-L105 HydrophobicContact CG1-CD1 4.34Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.25Å; V101-L132 HydrophobicContact CG1-CD1 4.5Å; V101-L132 HydrophobicContact CG1-CD2 3.97Å; V101-L132 HydrophobicContact CG2-CD2 4.4Å
102A97Very high94.2Very high64 Ų6449.8 Ų49.853%0.52926%0.26SS..Hα-helixtrans-66.8-52.6179.700000110.7D100 A104 L105 E106D100-A102 VanDerWaalsContact C-N 3.34Å; A102-A104 PolarHBondContact O-N 3.01Å; A102-L105 PolarHBondContact O-N 3.49Å; A102-E106 PolarHBondContact O-N 2.88Å
103G97.5Very high94.3Very high5 Ų555.7 Ų55.75%0.05229%0.288CS..Hα-helixtrans-64.9-28.2176.700000113.1R95 D100 D107R95-G103 VanDerWaalsContact CD-C 3.44Å; R95-G103 WeakPolarHBondContact CD-O 3.34Å; R95-G103 PolarHBondContact NH1-O 3.16Å; D100-G103 PolarHBondContact OD1-N 3.22Å; D100-G103 WeakPolarHBondContact OD2-CA 3.22Å; G103-D107 PolarHBondContact O-N 3.24Å
104A95.6Very high94.5Very high0 Ų054 Ų540%028%0.281CS..Hα-helixtrans-65.7-43.3170.800000112A92 R95 R96 D100 V101 A102 D107 L108 L132A92-A104 HydrophobicContact CB-CB 4.34Å; A92-A104 WeakPolarHBondContact CB-O 3.44Å; A92-A104 WeakPolarHBondContact O-CB 3.36Å; R95-A104 HydrophobicContact CB-CB 4.01Å; R96-A104 HydrophobicContact CB-CB 4.2Å; D100-A104 WeakPolarHBondContact O-CB 3.29Å; D100-A104 PolarHBondContact O-N 3.16Å; D100-A104 VanDerWaalsContact O-N 3.1Å; V101-A104 PolarHBondContact O-N 3.48Å; A102-A104 PolarHBondContact O-N 3.01Å; A104-D107 PolarHBondContact O-N 3.09Å; A104-L108 WeakPolarHBondContact O-CD1 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.4Å; A104-L108 PolarHBondContact O-N 3.28Å; A104-L132 HydrophobicContact CB-CD1 4.29Å
105L97.4Very high94.5Very high36 Ų3654.7 Ų54.719%0.18829%0.286CS..Hα-helixtrans-65.3-40.5177.8-73.3171.6000112.1V101 A102 D107 L108 E109 R129 L132V101-L105 HydrophobicContact CG1-CD1 4.34Å; V101-L105 WeakPolarHBondContact O-CG 3.47Å; V101-L105 PolarHBondContact O-N 3.25Å; A102-L105 PolarHBondContact O-N 3.49Å; L105-D107 PolarHBondContact O-N 2.86Å; L105-L108 PolarHBondContact O-N 3.35Å; L105-E109 WeakPolarHBondContact O-CG 3.36Å; L105-E109 PolarHBondContact O-N 2.94Å; L105-R129 HydrophobicContact CD2-CG 4.23Å; L105-L132 HydrophobicContact CD2-CB 4.36Å; L105-L132 HydrophobicContact CD2-CD1 3.75Å; L105-L132 HydrophobicContact CG-CD1 4.06Å
106E98.3Very high94.5Very high125 Ų12555 Ų5558%0.58431%0.306SS*.Hα-helixtrans-58.1-46.4175-70.8175.2-173.800111.8A102 L108 E109 R110A102-E106 PolarHBondContact O-N 2.88Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.04Å; E106-E109 PolarHBondContact O-N 2.86Å; E106-R110 PolarHBondContact O-N 3.25Å
107D98.2Very high94.6Very high5 Ų553 Ų533%0.02731%0.307CS..Hα-helixtrans-64.4-39.9177.4-79.9-13.5000112.1Y88 R91 A92 R95 G103 A104 L105 R110 A111Y88-D107 WeakPolarHBondContact CB-O 3.49Å; R91-D107 WeakPolarHBondContact CB-OD2 3.49Å; R91-D107 WeakPolarHBondContact CG-OD2 3.38Å; R91-D107 IonicContact CZ-OD1 3.43Å; R91-D107 IonicContact CZ-OD2 3.62Å; R91-D107 IonicContact NE-OD1 2.62Å; R91-D107 PolarHBondContact NE-OD1 2.98Å; R91-D107 IonicContact NE-OD2 3.72Å; R91-D107 PolarHBondContact NE-OD2 3.3Å; R91-D107 IonicContact NH2-OD1 2.66Å; R91-D107 PolarHBondContact NH2-OD1 3.26Å; R91-D107 IonicContact NH2-OD2 3.61Å; A92-D107 HydrophobicContact CB-CB 3.76Å; R95-D107 WeakPolarHBondContact CD-OD2 3.11Å; R95-D107 IonicContact CZ-OD1 2.89Å; R95-D107 IonicContact CZ-OD2 3.93Å; R95-D107 IonicContact NE-OD2 3.97Å; R95-D107 IonicContact NH1-OD1 3.06Å; R95-D107 PolarHBondContact NH1-OD1 3.14Å; R95-D107 VanDerWaalsContact NH1-OD1 3.1Å; R95-D107 IonicContact NH1-OD2 3.84Å; R95-D107 PolarHBondContact NH1-OD2 3.3Å; G103-D107 PolarHBondContact O-N 3.24Å; A104-D107 PolarHBondContact O-N 3.09Å; L105-D107 PolarHBondContact O-N 2.86Å; D107-R110 PolarHBondContact O-N 2.95Å; D107-A111 WeakPolarHBondContact O-CB 3.31Å; D107-A111 PolarHBondContact O-N 3.4Å
108L96.8Very high94.7Very high0 Ų057.1 Ų57.10%032%0.316CS..Hα-helixtrans-68.3-36.2178-66.3165.5000112N89 A92 A104 L105 E106 V112 Q128 R129 L132N89-L108 WeakPolarHBondContact OD1-CD2 3.4Å; A92-L108 HydrophobicContact CB-CD1 4.21Å; A92-L108 HydrophobicContact CB-CD2 3.7Å; A92-L108 HydrophobicContact CB-CG 3.57Å; A104-L108 WeakPolarHBondContact O-CD1 3.4Å; A104-L108 WeakPolarHBondContact O-CG 3.4Å; A104-L108 PolarHBondContact O-N 3.28Å; L105-L108 PolarHBondContact O-N 3.35Å; E106-L108 VanDerWaalsContact C-N 3.35Å; E106-L108 PolarHBondContact O-N 3.04Å; L108-V112 VanDerWaalsContact O-CG2 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.49Å; L108-V112 VanDerWaalsContact O-N 3.11Å; L108-Q128 HydrophobicContact CD1-CB 3.78Å; L108-Q128 HydrophobicContact CD2-CB 3.67Å; L108-Q128 HydrophobicContact CD2-CG 4.25Å; L108-Q128 HydrophobicContact CG-CB 4.42Å; L108-R129 HydrophobicContact CB-CG 3.7Å; L108-R129 HydrophobicContact CD1-CG 3.79Å; L108-R129 HydrophobicContact CG-CG 4.29Å; L108-L132 HydrophobicContact CD1-CD1 3.79Å
109E98.1Very high94.6Very high96 Ų9651.8 Ų51.845%0.44929%0.293SS..Hα-helixtrans-63.2-46.9172-79.4176.9179.400110.7L105 E106 A111 V112 E113 R129L105-E109 WeakPolarHBondContact O-CG 3.36Å; L105-E109 PolarHBondContact O-N 2.94Å; E106-E109 PolarHBondContact O-N 2.86Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3.02Å; E109-V112 PolarHBondContact O-N 3.45Å; E109-V112 VanDerWaalsContact O-N 3.15Å; E109-E113 WeakPolarHBondContact O-CG 3.03Å; E109-E113 PolarHBondContact O-N 3.39Å; E109-R129 IonicContact OE1-NH1 3.72Å
110R98.2Very high94.6Very high102 Ų10253.1 Ų53.139%0.38528%0.28SS..Hα-helixtrans-61.1-41.1177.2-170.656.3178168.22.8112.6Y88 E106 D107 V112 E113 L114Y88-R110 HydrophobicContact CD1-CB 4.03Å; Y88-R110 HydrophobicContact CD1-CG 3.88Å; Y88-R110 HydrophobicContact CD2-CG 4.48Å; Y88-R110 HydrophobicContact CE1-CB 4.23Å; Y88-R110 HydrophobicContact CE1-CG 3.61Å; Y88-R110 HydrophobicContact CE2-CG 4.26Å; Y88-R110 HydrophobicContact CG-CB 4.45Å; Y88-R110 HydrophobicContact CG-CG 4.29Å; E106-R110 PolarHBondContact O-N 3.25Å; D107-R110 PolarHBondContact O-N 2.95Å; R110-V112 VanDerWaalsContact C-N 3.34Å; R110-V112 PolarHBondContact O-N 2.65Å; R110-E113 IonicContact CZ-OE2 3.62Å; R110-E113 IonicContact NH1-OE2 3.46Å; R110-E113 PolarHBondContact NH1-OE2 3.47Å; R110-E113 PolarHBondContact O-N 2.87Å; R110-L114 HydrophobicContact CG-CD1 4.05Å; R110-L114 HydrophobicContact CG-CG 4.43Å; R110-L114 WeakPolarHBondContact O-CB 3.4Å; R110-L114 VanDerWaalsContact O-CG 3.27Å; R110-L114 WeakPolarHBondContact O-CG 3.47Å; R110-L114 PolarHBondContact O-N 3.45Å
111A96.6Very high94.3Very high0 Ų050.2 Ų50.20%027%0.265CS..Hα-helixtrans-61.4-41.3175.900000112.3A85 D107 E109 S115 S125A85-A111 HydrophobicContact CB-CB 4.4Å; D107-A111 WeakPolarHBondContact O-CB 3.31Å; D107-A111 PolarHBondContact O-N 3.4Å; E109-A111 VanDerWaalsContact C-N 3.32Å; E109-A111 PolarHBondContact O-N 3.02Å; A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 3.23Å; A111-S125 WeakPolarHBondContact CB-OG 3.48Å
112V96.6Very high94.4Very high23 Ų2348.1 Ų48.114%0.13925%0.253CS..Hα-helixtrans-66.7-41177170.20000111.6L108 E109 R110 G116 G117 S125 F126L108-V112 VanDerWaalsContact O-CG2 3.31Å; L108-V112 WeakPolarHBondContact O-CG2 3.46Å; L108-V112 PolarHBondContact O-N 3.49Å; L108-V112 VanDerWaalsContact O-N 3.11Å; E109-V112 PolarHBondContact O-N 3.45Å; E109-V112 VanDerWaalsContact O-N 3.15Å; R110-V112 VanDerWaalsContact C-N 3.34Å; R110-V112 PolarHBondContact O-N 2.65Å; V112-G116 PolarHBondContact O-N 3.43Å; V112-G116 VanDerWaalsContact O-N 3.11Å; V112-G117 PolarHBondContact O-N 3.33Å; V112-S125 VanDerWaalsContact CG2-CB 3.45Å; V112-F126 HydrophobicContact CG1-CE1 4.01Å; V112-F126 HydrophobicContact CG1-CZ 3.77Å; V112-F126 HydrophobicContact CG2-CD1 4.31Å; V112-F126 HydrophobicContact CG2-CE1 3.92Å; V112-F126 HydrophobicContact CG2-CZ 4.13Å
113E96.8Very high94.3Very high125 Ų12547.8 Ų47.858%0.58424%0.238SC*.Hα-helixtrans-60.5-51.1175.6-72.6176.417700111.3E109 R110 S115 G116E109-E113 WeakPolarHBondContact O-CG 3.03Å; E109-E113 PolarHBondContact O-N 3.39Å; R110-E113 IonicContact CZ-OE2 3.62Å; R110-E113 IonicContact NH1-OE2 3.46Å; R110-E113 PolarHBondContact NH1-OE2 3.47Å; R110-E113 PolarHBondContact O-N 2.87Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.1Å; E113-G116 PolarHBondContact O-N 3.19Å; E113-G116 VanDerWaalsContact O-N 3.07Å
114L94.3Very high93.9Very high49 Ų4950.1 Ų50.126%0.25725%0.247SC..Hα-helixtrans-63-37.4-177.8-71.6173.4000112.3E83 A85 Y88 R110 G116E83-L114 HydrophobicContact CB-CD2 4.27Å; E83-L114 HydrophobicContact CG-CD2 4.45Å; A85-L114 HydrophobicContact CB-CB 3.97Å; Y88-L114 HydrophobicContact CD2-CD1 3.75Å; Y88-L114 HydrophobicContact CE2-CD1 3.43Å; Y88-L114 VanDerWaalsContact CE2-CD1 3.43Å; R110-L114 HydrophobicContact CG-CD1 4.05Å; R110-L114 HydrophobicContact CG-CG 4.43Å; R110-L114 WeakPolarHBondContact O-CB 3.4Å; R110-L114 VanDerWaalsContact O-CG 3.27Å; R110-L114 WeakPolarHBondContact O-CG 3.47Å; R110-L114 PolarHBondContact O-N 3.45Å; L114-G116 VanDerWaalsContact C-N 3.28Å; L114-G116 PolarHBondContact O-N 3.38Å
115S91.4Very high93.9Very high16 Ų1650.1 Ų50.111%0.11225%0.247CC..THydrogen-bonded Turntrans-85.5-0.1177.995.60000113.4A111 E113 G117 R118 A122A111-S115 WeakPolarHBondContact O-CB 3.41Å; A111-S115 PolarHBondContact O-N 3.23Å; E113-S115 VanDerWaalsContact C-N 3.31Å; E113-S115 PolarHBondContact O-N 3.1Å; S115-G117 PolarHBondContact O-N 3.13Å; S115-R118 WeakPolarHBondContact CB-O 3.47Å; S115-R118 WeakPolarHBondContact O-CG 3.41Å; S115-R118 PolarHBondContact O-N 2.94Å; S115-R118 PolarHBondContact OG-O 2.89Å; S115-A122 WeakPolarHBondContact OG-CB 3.49Å; S115-A122 PolarHBondContact OG-N 3.25Å
116G93.2Very high93.9Very high59 Ų5948.8 Ų48.861%0.60824%0.24SC*.THydrogen-bonded Turntrans61.327.1-177.200000113.5V112 E113 L114 R118V112-G116 PolarHBondContact O-N 3.43Å; V112-G116 VanDerWaalsContact O-N 3.11Å; E113-G116 PolarHBondContact O-N 3.19Å; E113-G116 VanDerWaalsContact O-N 3.07Å; L114-G116 VanDerWaalsContact C-N 3.28Å; L114-G116 PolarHBondContact O-N 3.38Å; G116-R118 PolarHBondContact O-N 3.35Å
117G91.5Very high93.7Very high27 Ų2743.9 Ų43.928%0.27822%0.218SC..THydrogen-bonded Turntrans69.713.9-178.300000115.3V112 S115V112-G117 PolarHBondContact O-N 3.33Å; S115-G117 PolarHBondContact O-N 3.13Å
118R88.6Confident93.4Very high185 Ų18544.6 Ų44.670%0.69822%0.222SC*.  trans-124.1170.8178.458.2174.3177.8174.91.4111.9S115 G116 A122S115-R118 WeakPolarHBondContact CB-O 3.47Å; S115-R118 WeakPolarHBondContact O-CG 3.41Å; S115-R118 PolarHBondContact O-N 2.94Å; S115-R118 PolarHBondContact OG-O 2.89Å; G116-R118 PolarHBondContact O-N 3.35Å; R118-A122 WeakPolarHBondContact O-CB 3.05Å
119G88.1Confident93.4Very high7 Ų746.9 Ų46.97%0.07223%0.23CC..Hα-helixtrans72.8-168.6174.700000114.4E39 R123E39-G119 VanDerWaalsContact OE1-CA 3.29Å; E39-G119 WeakPolarHBondContact OE1-CA 3.48Å; G119-R123 WeakPolarHBondContact O-CB 3.37Å; G119-R123 PolarHBondContact O-N 3.46Å
120R86.9Confident93.2Very high83 Ų8342.3 Ų42.331%0.31321%0.209SC..Hα-helixtrans-66.7-42.7-171.6-177.3-178.1175.4178.8-4.4111.4E36 E39 R123 Q124E36-R120 VanDerWaalsContact OE1-CD 3.27Å; E36-R120 WeakPolarHBondContact OE1-CD 3.47Å; E36-R120 IonicContact OE1-CZ 3.58Å; E36-R120 VanDerWaalsContact OE1-CZ 3.31Å; E36-R120 IonicContact OE1-NE 2.9Å; E36-R120 IonicContact OE1-NH1 3.31Å; E36-R120 PolarHBondContact OE1-NH1 2.89Å; E36-R120 VanDerWaalsContact OE2-CD 3.31Å; E36-R120 WeakPolarHBondContact OE2-CD 3.47Å; E36-R120 IonicContact OE2-CZ 3.84Å; E36-R120 IonicContact OE2-NE 2.66Å; E36-R120 IonicContact OE2-NH1 3.56Å; E36-R120 PolarHBondContact OE2-NH1 3Å; E39-R120 PolarHBondContact OE1-N 2.95Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.18Å; R120-Q124 WeakPolarHBondContact O-CG 3.41Å; R120-Q124 PolarHBondContact O-N 3.44Å
121A89Confident92.8Very high4 Ų439.3 Ų39.33%0.03320%0.201CC..Hα-helixtrans-61.4-53.1-177.900000111.5A85 N89 R123 Q124 S125A85-A121 HydrophobicContact CB-CB 3.55Å; N89-A121 PolarHBondContact ND2-O 2.85Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 3.17Å; A121-Q124 PolarHBondContact O-N 2.86Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 PolarHBondContact O-OG 2.94Å
122A93.1Very high92.4Very high0 Ų039.5 Ų39.50%020%0.201CC..Hα-helixtrans-59.1-40.9176.500000112.5S115 R118 Q124 S125 F126 L152S115-A122 WeakPolarHBondContact OG-CB 3.49Å; S115-A122 PolarHBondContact OG-N 3.25Å; R118-A122 WeakPolarHBondContact O-CB 3.05Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; A122-Q124 PolarHBondContact O-N 2.98Å; A122-S125 PolarHBondContact O-N 3.17Å; A122-F126 HydrophobicContact CB-CD2 4.19Å; A122-F126 HydrophobicContact CB-CE2 3.85Å; A122-F126 WeakPolarHBondContact O-CB 3.44Å; A122-F126 WeakPolarHBondContact O-CD2 3.49Å; A122-F126 WeakPolarHBondContact O-CG 3.4Å; A122-F126 PolarHBondContact O-N 3.38Å; A122-L152 HydrophobicContact CB-CD1 3.91Å
123R93.8Very high92.1Very high57 Ų5738.5 Ų38.522%0.21520%0.195CC..Hα-helixtrans-56.1-47.6177.8-179-17865.996.3-7.3111.2G119 R120 A121 V127 L152G119-R123 WeakPolarHBondContact O-CB 3.37Å; G119-R123 PolarHBondContact O-N 3.46Å; R120-R123 WeakPolarHBondContact O-CB 3.46Å; R120-R123 PolarHBondContact O-N 3.18Å; A121-R123 VanDerWaalsContact C-N 3.3Å; A121-R123 PolarHBondContact O-N 3.17Å; R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.47Å; R123-L152 HydrophobicContact CB-CB 3.83Å; R123-L152 HydrophobicContact CB-CD1 3.93Å; R123-L152 WeakPolarHBondContact CD-O 3.46Å; R123-L152 HydrophobicContact CG-CB 3.99Å
124Q89.7Confident91.6Very high54 Ų5437.2 Ų37.225%0.25219%0.185SC..Hα-helixtrans-65-43.2176.3-71.5173.4-35.900111.4R120 A121 A122 F126 V127 Q128R120-Q124 WeakPolarHBondContact O-CG 3.41Å; R120-Q124 PolarHBondContact O-N 3.44Å; A121-Q124 PolarHBondContact O-N 2.86Å; A122-Q124 VanDerWaalsContact C-N 3.31Å; A122-Q124 PolarHBondContact O-N 2.98Å; Q124-F126 PolarHBondContact O-N 3.16Å; Q124-V127 PolarHBondContact O-N 3.36Å; Q124-Q128 WeakPolarHBondContact O-CG 3.35Å; Q124-Q128 PolarHBondContact O-N 3.18Å
125S94.4Very high91.1Very high0 Ų041.2 Ų41.20%021%0.206CC..Hα-helixtrans-60.6-46.2-179.6-48.60000112.2N89 A111 V112 A121 A122 V127 Q128 R129N89-S125 VanDerWaalsContact CG-OG 3.25Å; N89-S125 PolarHBondContact ND2-OG 3.37Å; N89-S125 VanDerWaalsContact ND2-OG 3.16Å; N89-S125 WeakPolarHBondContact OD1-CA 3.31Å; N89-S125 WeakPolarHBondContact OD1-CB 3.27Å; N89-S125 PolarHBondContact OD1-OG 3.16Å; A111-S125 WeakPolarHBondContact CB-OG 3.48Å; V112-S125 VanDerWaalsContact CG2-CB 3.45Å; A121-S125 PolarHBondContact O-N 2.91Å; A121-S125 PolarHBondContact O-OG 2.94Å; A122-S125 PolarHBondContact O-N 3.17Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.39Å; S125-Q128 PolarHBondContact O-N 3.03Å; S125-R129 WeakPolarHBondContact O-CB 3.33Å; S125-R129 WeakPolarHBondContact O-CG 3.45Å; S125-R129 PolarHBondContact O-N 3.33Å
126F97.7Very high90.8Very high7 Ų744.9 Ų44.93%0.03122%0.222CC..Hα-helixtrans-63.5-37.5176.3-70.8-46.4000112.3V112 A122 Q124 G130 D145 R148 A149 L152V112-F126 HydrophobicContact CG1-CE1 4.01Å; V112-F126 HydrophobicContact CG1-CZ 3.77Å; V112-F126 HydrophobicContact CG2-CD1 4.31Å; V112-F126 HydrophobicContact CG2-CE1 3.92Å; V112-F126 HydrophobicContact CG2-CZ 4.13Å; A122-F126 HydrophobicContact CB-CD2 4.19Å; A122-F126 HydrophobicContact CB-CE2 3.85Å; A122-F126 WeakPolarHBondContact O-CB 3.44Å; A122-F126 WeakPolarHBondContact O-CD2 3.49Å; A122-F126 WeakPolarHBondContact O-CG 3.4Å; A122-F126 PolarHBondContact O-N 3.38Å; Q124-F126 PolarHBondContact O-N 3.16Å; F126-G130 PolarHBondContact O-N 3.17Å; F126-D145 HydrophobicContact CB-CB 4.5Å; F126-D145 WeakPolarHBondContact CB-O 3.39Å; F126-D145 HydrophobicContact CD1-CB 4.48Å; F126-D145 WeakPolarHBondContact O-CB 3.43Å; F126-R148 HydrophobicContact CB-CB 4.47Å; F126-R148 HydrophobicContact CD1-CB 4.12Å; F126-R148 HydrophobicContact CD2-CB 3.66Å; F126-R148 HydrophobicContact CE1-CB 4.3Å; F126-R148 HydrophobicContact CE2-CB 3.83Å; F126-R148 HydrophobicContact CG-CB 3.84Å; F126-R148 HydrophobicContact CZ-CB 4.17Å; F126-R148 HydrophobicContact CZ-CG 4.5Å; F126-A149 HydrophobicContact CB-CB 3.8Å; F126-L152 HydrophobicContact CD2-CD1 4Å; F126-L152 HydrophobicContact CE2-CD1 4.11Å
127V93.8Very high90.4Very high22 Ų2244.9 Ų44.913%0.13322%0.222CC..Hα-helixtrans-61.4-48.3173.2168.70000110.9R123 Q124 S125 G130 L131 A149 S154 F156 A157R123-V127 WeakPolarHBondContact O-CG2 3.41Å; R123-V127 PolarHBondContact O-N 3.47Å; Q124-V127 PolarHBondContact O-N 3.36Å; S125-V127 VanDerWaalsContact C-N 3.34Å; S125-V127 PolarHBondContact O-N 3.39Å; V127-G130 PolarHBondContact O-N 2.61Å; V127-L131 HydrophobicContact CG1-CD1 4.17Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 2.66Å; V127-A149 HydrophobicContact CG2-CB 3.71Å; V127-S154 WeakPolarHBondContact CG2-OG 3.38Å; V127-F156 HydrophobicContact CG1-CD1 3.67Å; V127-F156 HydrophobicContact CG1-CE1 3.87Å; V127-F156 HydrophobicContact CG2-CD1 4.47Å; V127-A157 HydrophobicContact CG2-CB 4.3Å
128Q92.9Very high90.4Very high20 Ų2048.5 Ų48.59%0.09323%0.227CC..Hα-helixtrans-65.6-44.4-178-65.6-130.246.200112L108 Q124 S125 G130 L131 L132L108-Q128 HydrophobicContact CD1-CB 3.78Å; L108-Q128 HydrophobicContact CD2-CB 3.67Å; L108-Q128 HydrophobicContact CD2-CG 4.25Å; L108-Q128 HydrophobicContact CG-CB 4.42Å; Q124-Q128 WeakPolarHBondContact O-CG 3.35Å; Q124-Q128 PolarHBondContact O-N 3.18Å; S125-Q128 PolarHBondContact O-N 3.03Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 3.32Å; Q128-L131 PolarHBondContact O-N 3.21Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.07Å
129R97.3Very high90.4Very high48 Ų4842.7 Ų42.718%0.18121%0.21CC..Hα-helixtrans-60-43.5174.4-71170.649.4134.710.6111.9L105 L108 E109 S125 L131 L132 A133 D145L105-R129 HydrophobicContact CD2-CG 4.23Å; L108-R129 HydrophobicContact CB-CG 3.7Å; L108-R129 HydrophobicContact CD1-CG 3.79Å; L108-R129 HydrophobicContact CG-CG 4.29Å; E109-R129 IonicContact OE1-NH1 3.72Å; S125-R129 WeakPolarHBondContact O-CB 3.33Å; S125-R129 WeakPolarHBondContact O-CG 3.45Å; S125-R129 PolarHBondContact O-N 3.33Å; R129-L131 VanDerWaalsContact C-N 3.31Å; R129-L131 PolarHBondContact O-N 3.25Å; R129-L132 PolarHBondContact O-N 3.17Å; R129-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 3.38Å; R129-D145 HydrophobicContact CB-CB 4.42Å; R129-D145 WeakPolarHBondContact CB-OD2 3.38Å; R129-D145 IonicContact CZ-OD2 3.36Å; R129-D145 IonicContact NE-OD1 3.41Å; R129-D145 IonicContact NE-OD2 3.3Å; R129-D145 PolarHBondContact NE-OD2 3.2Å; R129-D145 IonicContact NH2-OD1 3.1Å; R129-D145 IonicContact NH2-OD2 2.85Å; R129-D145 PolarHBondContact NH2-OD2 3.49Å
130G94.3Very high90.6Very high0 Ų047.2 Ų47.20%023%0.232CC..Hα-helixtrans-60.8-39.6176.900000112.6F126 V127 Q128 R134 A142F126-G130 PolarHBondContact O-N 3.17Å; V127-G130 PolarHBondContact O-N 2.61Å; Q128-G130 VanDerWaalsContact C-N 3.33Å; Q128-G130 PolarHBondContact O-N 3.32Å; G130-R134 WeakPolarHBondContact O-CG 3.47Å; G130-R134 PolarHBondContact O-N 2.88Å; G130-A142 VanDerWaalsContact O-CB 3.31Å; G130-A142 WeakPolarHBondContact O-CB 3.32Å
131L88.9Confident91Very high40 Ų4045.1 Ų45.121%0.20923%0.227CC..Hα-helixtrans-66.1-44.9174.5-72.6172.7000112.5V127 Q128 R129 A133 R134 L135 F146 F156V127-L131 HydrophobicContact CG1-CD1 4.17Å; V127-L131 WeakPolarHBondContact O-CG 3.38Å; V127-L131 PolarHBondContact O-N 2.66Å; Q128-L131 PolarHBondContact O-N 3.21Å; R129-L131 VanDerWaalsContact C-N 3.31Å; R129-L131 PolarHBondContact O-N 3.25Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 3.21Å; L131-R134 PolarHBondContact O-N 2.91Å; L131-L135 WeakPolarHBondContact O-CG 3.2Å; L131-L135 PolarHBondContact O-N 2.84Å; L131-F146 HydrophobicContact CD2-CZ 4.07Å; L131-F146 HydrophobicContact CG-CE1 4.34Å; L131-F146 HydrophobicContact CG-CZ 4.13Å; L131-F156 HydrophobicContact CD1-CE1 4.14Å; L131-F156 HydrophobicContact CD1-CZ 4.33Å; L131-F156 HydrophobicContact CD2-CE1 3.94Å; L131-F156 HydrophobicContact CD2-CZ 3.9Å; L131-F156 HydrophobicContact CG-CE1 4.17Å
132L88.2Confident91.1Very high3 Ų345 Ų452%0.01623%0.226CC..Hα-helixtrans-60.7-43.7176.4-73.6175.4000111.7R96 V101 A104 L105 L108 Q128 R129 R134 L135 Q136R96-L132 HydrophobicContact CG-CD2 3.68Å; V101-L132 HydrophobicContact CG1-CD1 4.5Å; V101-L132 HydrophobicContact CG1-CD2 3.97Å; V101-L132 HydrophobicContact CG2-CD2 4.4Å; A104-L132 HydrophobicContact CB-CD1 4.29Å; L105-L132 HydrophobicContact CD2-CB 4.36Å; L105-L132 HydrophobicContact CD2-CD1 3.75Å; L105-L132 HydrophobicContact CG-CD1 4.06Å; L108-L132 HydrophobicContact CD1-CD1 3.79Å; Q128-L132 WeakPolarHBondContact O-CG 3.41Å; Q128-L132 PolarHBondContact O-N 3.07Å; R129-L132 PolarHBondContact O-N 3.17Å; L132-R134 PolarHBondContact O-N 3.08Å; L132-L135 PolarHBondContact O-N 3.48Å; L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 2.95Å; L132-Q136 VanDerWaalsContact O-N 3.16Å
133A90.9Very high91.1Very high2 Ų248.5 Ų48.52%0.01724%0.239CC..Hα-helixtrans-61.4-43.4176.100000112R129 L131 L135 Q136 G137 R138 D141 A142R129-A133 WeakPolarHBondContact O-CB 3.28Å; R129-A133 PolarHBondContact O-N 3.38Å; L131-A133 VanDerWaalsContact C-N 3.34Å; L131-A133 PolarHBondContact O-N 3.21Å; A133-L135 PolarHBondContact O-N 3.34Å; A133-Q136 CarbonylContact O-C 3.47Å; A133-Q136 PolarHBondContact O-N 3.38Å; A133-Q136 VanDerWaalsContact O-N 3.16Å; A133-G137 PolarHBondContact O-N 3.25Å; A133-R138 HydrophobicContact CB-CB 4.25Å; A133-R138 WeakPolarHBondContact O-CA 3.16Å; A133-R138 PolarHBondContact O-N 3.36Å; A133-D141 HydrophobicContact CB-CB 3.96Å; A133-A142 HydrophobicContact CB-CB 3.92Å
134R86.2Confident91.3Very high98 Ų9852.3 Ų52.337%0.3725%0.254SS..Hα-helixtrans-60.5-44.2174.2-75.9-168.170.9-147.5-6.2112.6G130 L131 L132 Q136 G137 A142 F146 L164G130-R134 WeakPolarHBondContact O-CG 3.47Å; G130-R134 PolarHBondContact O-N 2.88Å; L131-R134 PolarHBondContact O-N 2.91Å; L132-R134 PolarHBondContact O-N 3.08Å; R134-Q136 PolarHBondContact O-N 3.27Å; R134-G137 PolarHBondContact O-N 3.08Å; R134-A142 HydrophobicContact CB-CB 4.43Å; R134-A142 HydrophobicContact CG-CB 3.43Å; R134-A142 VanDerWaalsContact CG-CB 3.43Å; R134-F146 HydrophobicContact CG-CE2 3.99Å; R134-L164 HydrophobicContact CG-CD1 4.38Å; R134-L164 HydrophobicContact CG-CD2 4.3Å
135L83.4Confident91.6Very high133 Ų13350.3 Ų50.370%0.69625%0.245SC*.Hα-helixtrans-61.2-27.4178.5-72.3172.7000112.2L131 L132 A133L131-L135 WeakPolarHBondContact O-CG 3.2Å; L131-L135 PolarHBondContact O-N 2.84Å; L132-L135 PolarHBondContact O-N 3.48Å; A133-L135 PolarHBondContact O-N 3.34Å
136Q84.5Confident91.5Very high94 Ų9450.3 Ų50.344%0.43925%0.245SC..THydrogen-bonded Turntrans-91.25.8176.4-66.2173.6-23.800113.5L132 A133 R134 R138L132-Q136 WeakPolarHBondContact O-CG 3.37Å; L132-Q136 PolarHBondContact O-N 2.95Å; L132-Q136 VanDerWaalsContact O-N 3.16Å; A133-Q136 CarbonylContact O-C 3.47Å; A133-Q136 PolarHBondContact O-N 3.38Å; A133-Q136 VanDerWaalsContact O-N 3.16Å; R134-Q136 PolarHBondContact O-N 3.27Å; Q136-R138 HydrophobicContact CB-CG 4.28Å; Q136-R138 PolarHBondContact O-N 3.16Å; Q136-R138 VanDerWaalsContact OE1-CZ 3.28Å
137G85.4Confident91.4Very high59 Ų5951.3 Ų51.361%0.60825%0.254SS*.THydrogen-bonded Turntrans729.7-177.100000114.7A133 R134 D139A133-G137 PolarHBondContact O-N 3.25Å; R134-G137 PolarHBondContact O-N 3.08Å; G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 3.36Å; G137-D139 VanDerWaalsContact O-N 3.09Å
138R91.3Very high91.5Very high102 Ų10256 Ų5639%0.38527%0.27SS..  trans-87.264.8179-59.4-169.9-67.2148.6-11.6110.5A133 Q136 D140 D141 A142A133-R138 HydrophobicContact CB-CB 4.25Å; A133-R138 WeakPolarHBondContact O-CA 3.16Å; A133-R138 PolarHBondContact O-N 3.36Å; Q136-R138 HydrophobicContact CB-CG 4.28Å; Q136-R138 PolarHBondContact O-N 3.16Å; Q136-R138 VanDerWaalsContact OE1-CZ 3.28Å; R138-D140 VanDerWaalsContact C-N 3.29Å; R138-D140 PolarHBondContact O-N 3.45Å; R138-D141 HydrophobicContact CB-CB 4.03Å; R138-D141 WeakPolarHBondContact CD-OD2 3.36Å; R138-D141 IonicContact CZ-OD2 3.38Å; R138-D141 IonicContact NE-OD2 3.52Å; R138-D141 IonicContact NH1-OD2 3.95Å; R138-D141 PolarHBondContact NH1-OD2 2.98Å; R138-D141 WeakPolarHBondContact O-CB 3.13Å; R138-D141 PolarHBondContact O-N 3.43Å; R138-D141 VanDerWaalsContact O-N 3.14Å; R138-A142 PolarHBondContact O-N 3.35Å
139D87.8Confident91.5Very high64 Ų6455 Ų5534%0.34227%0.265SS..Hα-helixtrans-64.4-30.3-172.9-78.9-16.7000113.7G137 A142 R143 L164G137-D139 VanDerWaalsContact C-N 3.27Å; G137-D139 PolarHBondContact O-N 3.36Å; G137-D139 VanDerWaalsContact O-N 3.09Å; D139-A142 PolarHBondContact O-N 3.16Å; D139-R143 WeakPolarHBondContact O-CB 3.38Å; D139-R143 WeakPolarHBondContact O-CG 3.46Å; D139-R143 PolarHBondContact O-N 3.23Å; D139-L164 HydrophobicContact CB-CD2 4.12Å
140D92.9Very high91.1Very high101 Ų10153.2 Ų53.254%0.5426%0.261SS..Hα-helixtrans-65.1-43173.2-79.1-49.9000112.2R138 A142 R143 R144R138-D140 VanDerWaalsContact C-N 3.29Å; R138-D140 PolarHBondContact O-N 3.45Å; D140-A142 VanDerWaalsContact C-N 3.33Å; D140-R143 PolarHBondContact O-N 3.49Å; D140-R143 IonicContact OD1-CZ 2.65Å; D140-R143 IonicContact OD1-NE 2.61Å; D140-R143 PolarHBondContact OD1-NE 3Å; D140-R143 IonicContact OD1-NH2 3.43Å; D140-R143 PolarHBondContact OD1-NH2 3.47Å; D140-R143 IonicContact OD2-NH2 3.44Å; D140-R144 WeakPolarHBondContact O-CG 3.41Å; D140-R144 PolarHBondContact O-N 3.04Å; D140-R144 VanDerWaalsContact O-N 3.13Å; D140-R144 PolarHBondContact O-NH1 3.29Å
141D94.6Very high91Very high40 Ų4063.1 Ų63.121%0.21430%0.298CS..Hα-helixtrans-64.7-44.2177.3-61.8-1.7000109.8A133 R138 R143 R144 D145A133-D141 HydrophobicContact CB-CB 3.96Å; R138-D141 HydrophobicContact CB-CB 4.03Å; R138-D141 WeakPolarHBondContact CD-OD2 3.36Å; R138-D141 IonicContact CZ-OD2 3.38Å; R138-D141 IonicContact NE-OD2 3.52Å; R138-D141 IonicContact NH1-OD2 3.95Å; R138-D141 PolarHBondContact NH1-OD2 2.98Å; R138-D141 WeakPolarHBondContact O-CB 3.13Å; R138-D141 PolarHBondContact O-N 3.43Å; R138-D141 VanDerWaalsContact O-N 3.14Å; D141-R143 PolarHBondContact O-N 2.94Å; D141-R144 VanDerWaalsContact CG-NH2 3.27Å; D141-R144 PolarHBondContact O-N 3.06Å; D141-R144 IonicContact OD1-CZ 3Å; D141-R144 IonicContact OD1-NH1 2.79Å; D141-R144 PolarHBondContact OD1-NH1 3.4Å; D141-R144 IonicContact OD1-NH2 3.52Å; D141-R144 PolarHBondContact OD1-NH2 3.21Å; D141-D145 PolarHBondContact O-N 3.23Å; D141-D145 VanDerWaalsContact O-N 3.1Å
142A92.3Very high90.8Very high0 Ų063.8 Ų63.80%030%0.301CS..Hα-helixtrans-58.5-46.1175.300000112.7G130 A133 R134 R138 D139 D140 R144 D145 F146 L164G130-A142 VanDerWaalsContact O-CB 3.31Å; G130-A142 WeakPolarHBondContact O-CB 3.32Å; A133-A142 HydrophobicContact CB-CB 3.92Å; R134-A142 HydrophobicContact CB-CB 4.43Å; R134-A142 HydrophobicContact CG-CB 3.43Å; R134-A142 VanDerWaalsContact CG-CB 3.43Å; R138-A142 PolarHBondContact O-N 3.35Å; D139-A142 PolarHBondContact O-N 3.16Å; D140-A142 VanDerWaalsContact C-N 3.33Å; A142-R144 VanDerWaalsContact C-N 3.3Å; A142-R144 PolarHBondContact O-N 3.37Å; A142-D145 PolarHBondContact O-N 2.91Å; A142-F146 HydrophobicContact CB-CD2 4.23Å; A142-F146 HydrophobicContact CB-CE2 3.98Å; A142-F146 WeakPolarHBondContact O-CB 3.15Å; A142-F146 WeakPolarHBondContact O-CD2 3.33Å; A142-F146 WeakPolarHBondContact O-CG 3.37Å; A142-F146 PolarHBondContact O-N 3.46Å; A142-L164 HydrophobicContact CB-CD1 4.09Å
143R93.6Very high90.6Very high75 Ų7564.6 Ų64.628%0.28331%0.311SS..Hα-helixtrans-57.3-43.5176.1-81-173.3-76-88.4-0.3111.5D139 D140 D141 A147 L161 L164D139-R143 WeakPolarHBondContact O-CB 3.38Å; D139-R143 WeakPolarHBondContact O-CG 3.46Å; D139-R143 PolarHBondContact O-N 3.23Å; D140-R143 PolarHBondContact O-N 3.49Å; D140-R143 IonicContact OD1-CZ 2.65Å; D140-R143 IonicContact OD1-NE 2.61Å; D140-R143 PolarHBondContact OD1-NE 3Å; D140-R143 IonicContact OD1-NH2 3.43Å; D140-R143 PolarHBondContact OD1-NH2 3.47Å; D140-R143 IonicContact OD2-NH2 3.44Å; D141-R143 PolarHBondContact O-N 2.94Å; R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.27Å; R143-A147 PolarHBondContact O-N 3.13Å; R143-L161 HydrophobicContact CB-CD2 4.47Å; R143-L161 WeakPolarHBondContact O-CD2 3.5Å; R143-L164 HydrophobicContact CG-CB 3.77Å; R143-L164 HydrophobicContact CG-CD1 3.8Å; R143-L164 HydrophobicContact CG-CG 4.36Å; R143-L164 PolarHBondContact NH1-O 3.46Å
144R96.6Very high90.3Very high136 Ų13664.7 Ų64.751%0.51331%0.311SS..Hα-helixtrans-63-46.4179.6-68.1-171-50.7-929.6111.7D140 D141 A142 A147 R148D140-R144 WeakPolarHBondContact O-CG 3.41Å; D140-R144 PolarHBondContact O-N 3.04Å; D140-R144 VanDerWaalsContact O-N 3.13Å; D140-R144 PolarHBondContact O-NH1 3.29Å; D141-R144 VanDerWaalsContact CG-NH2 3.27Å; D141-R144 PolarHBondContact O-N 3.06Å; D141-R144 IonicContact OD1-CZ 3Å; D141-R144 IonicContact OD1-NH1 2.79Å; D141-R144 PolarHBondContact OD1-NH1 3.4Å; D141-R144 IonicContact OD1-NH2 3.52Å; D141-R144 PolarHBondContact OD1-NH2 3.21Å; A142-R144 VanDerWaalsContact C-N 3.3Å; A142-R144 PolarHBondContact O-N 3.37Å; R144-A147 PolarHBondContact O-N 3.25Å; R144-R148 WeakPolarHBondContact O-CG 3.24Å; R144-R148 PolarHBondContact O-N 3.21Å; R144-R148 VanDerWaalsContact O-N 3.16Å
145D97.3Very high90.3Very high12 Ų1262.7 Ų62.76%0.06431%0.311CS..Hα-helixtrans-70.5-41-179.6-78.8-22000111.8F126 R129 D141 A142 A147 R148 A149F126-D145 HydrophobicContact CB-CB 4.5Å; F126-D145 WeakPolarHBondContact CB-O 3.39Å; F126-D145 HydrophobicContact CD1-CB 4.48Å; F126-D145 WeakPolarHBondContact O-CB 3.43Å; R129-D145 HydrophobicContact CB-CB 4.42Å; R129-D145 WeakPolarHBondContact CB-OD2 3.38Å; R129-D145 IonicContact CZ-OD2 3.36Å; R129-D145 IonicContact NE-OD1 3.41Å; R129-D145 IonicContact NE-OD2 3.3Å; R129-D145 PolarHBondContact NE-OD2 3.2Å; R129-D145 IonicContact NH2-OD1 3.1Å; R129-D145 IonicContact NH2-OD2 2.85Å; R129-D145 PolarHBondContact NH2-OD2 3.49Å; D141-D145 PolarHBondContact O-N 3.23Å; D141-D145 VanDerWaalsContact O-N 3.1Å; A142-D145 PolarHBondContact O-N 2.91Å; D145-A147 VanDerWaalsContact C-N 3.31Å; D145-A147 PolarHBondContact O-N 2.96Å; D145-R148 PolarHBondContact O-N 2.96Å; D145-R148 VanDerWaalsContact O-N 3.16Å; D145-A149 PolarHBondContact O-N 3.45Å
146F92.4Very high90.3Very high0 Ų060.5 Ų60.50%030%0.296CS..Hα-helixtrans-63.5-35.1173-68.1-49.4000112.9L131 R134 A142 R148 A149 A150 F156 A157 Q160 L161 L164L131-F146 HydrophobicContact CD2-CZ 4.07Å; L131-F146 HydrophobicContact CG-CE1 4.34Å; L131-F146 HydrophobicContact CG-CZ 4.13Å; R134-F146 HydrophobicContact CG-CE2 3.99Å; A142-F146 HydrophobicContact CB-CD2 4.23Å; A142-F146 HydrophobicContact CB-CE2 3.98Å; A142-F146 WeakPolarHBondContact O-CB 3.15Å; A142-F146 WeakPolarHBondContact O-CD2 3.33Å; A142-F146 WeakPolarHBondContact O-CG 3.37Å; A142-F146 PolarHBondContact O-N 3.46Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.45Å; F146-A149 PolarHBondContact O-N 3.36Å; F146-A150 WeakPolarHBondContact O-CB 3.42Å; F146-A150 PolarHBondContact O-N 3.49Å; F146-F156 HydrophobicContact CE1-CE1 4.13Å; F146-A157 HydrophobicContact CB-CB 4.13Å; F146-A157 HydrophobicContact CD1-CB 3.95Å; F146-A157 HydrophobicContact CG-CB 4.48Å; F146-A157 WeakPolarHBondContact O-CB 3.12Å; F146-Q160 HydrophobicContact CD1-CB 4.02Å; F146-Q160 HydrophobicContact CD1-CG 4.28Å; F146-Q160 HydrophobicContact CD2-CB 3.7Å; F146-Q160 HydrophobicContact CE1-CB 4.07Å; F146-Q160 HydrophobicContact CE1-CG 3.91Å; F146-Q160 HydrophobicContact CE2-CB 3.75Å; F146-Q160 HydrophobicContact CE2-CG 4.15Å; F146-Q160 HydrophobicContact CG-CB 3.85Å; F146-Q160 HydrophobicContact CZ-CB 3.94Å; F146-Q160 HydrophobicContact CZ-CG 3.83Å; F146-L161 HydrophobicContact CB-CD1 4.46Å; F146-L161 HydrophobicContact CB-CD2 3.81Å; F146-L161 HydrophobicContact CB-CG 3.81Å; F146-L164 HydrophobicContact CD2-CD1 3.63Å; F146-L164 HydrophobicContact CE2-CD1 3.89Å
147A95.4Very high90.4Very high29 Ų2956 Ų5624%0.2428%0.275CS..Hα-helixtrans-61.8-41.5174.200000111.7R143 R144 D145 A150 R151 L161R143-A147 VanDerWaalsContact O-CB 3.28Å; R143-A147 WeakPolarHBondContact O-CB 3.27Å; R143-A147 PolarHBondContact O-N 3.13Å; R144-A147 PolarHBondContact O-N 3.25Å; D145-A147 VanDerWaalsContact C-N 3.31Å; D145-A147 PolarHBondContact O-N 2.96Å; A147-A150 PolarHBondContact O-N 3.3Å; A147-R151 WeakPolarHBondContact O-CG 3.31Å; A147-R151 PolarHBondContact O-N 2.9Å; A147-R151 VanDerWaalsContact O-N 3.16Å; A147-L161 HydrophobicContact CB-CD1 4.41Å; A147-L161 HydrophobicContact CB-CD2 4.36Å
148R95.6Very high90.4Very high119 Ų11959.1 Ų59.145%0.44927%0.269SS..Hα-helixtrans-64.7-48.5174.9-68174.8176.4-177.7-5.5111.4F126 R144 D145 F146 A150 R151 L152F126-R148 HydrophobicContact CB-CB 4.47Å; F126-R148 HydrophobicContact CD1-CB 4.12Å; F126-R148 HydrophobicContact CD2-CB 3.66Å; F126-R148 HydrophobicContact CE1-CB 4.3Å; F126-R148 HydrophobicContact CE2-CB 3.83Å; F126-R148 HydrophobicContact CG-CB 3.84Å; F126-R148 HydrophobicContact CZ-CB 4.17Å; F126-R148 HydrophobicContact CZ-CG 4.5Å; R144-R148 WeakPolarHBondContact O-CG 3.24Å; R144-R148 PolarHBondContact O-N 3.21Å; R144-R148 VanDerWaalsContact O-N 3.16Å; D145-R148 PolarHBondContact O-N 2.96Å; D145-R148 VanDerWaalsContact O-N 3.16Å; F146-R148 VanDerWaalsContact C-N 3.33Å; F146-R148 PolarHBondContact O-N 3.45Å; R148-A150 VanDerWaalsContact C-N 3.3Å; R148-A150 PolarHBondContact O-N 3.24Å; R148-R151 PolarHBondContact O-N 3.07Å; R148-L152 PolarHBondContact O-N 3.21Å
149A91.9Very high90Very high0 Ų059 Ų590%027%0.268CS..Hα-helixtrans-60.4-37.4176.800000113.3F126 V127 D145 F146 L152 G153 S154 A157F126-A149 HydrophobicContact CB-CB 3.8Å; V127-A149 HydrophobicContact CG2-CB 3.71Å; D145-A149 PolarHBondContact O-N 3.45Å; F146-A149 PolarHBondContact O-N 3.36Å; A149-L152 CarbonylContact O-C 3.56Å; A149-L152 PolarHBondContact O-N 3.2Å; A149-G153 PolarHBondContact O-N 3.43Å; A149-S154 WeakPolarHBondContact O-CB 3.36Å; A149-S154 PolarHBondContact O-N 3.03Å; A149-A157 HydrophobicContact CB-CB 3.54Å
150A89.6Confident89.9Confident11 Ų1156.7 Ų56.79%0.09126%0.255CS..Hα-helixtrans-68.1-35.117900000112.9F146 A147 R148 L152 G153 A157 R158 L161F146-A150 WeakPolarHBondContact O-CB 3.42Å; F146-A150 PolarHBondContact O-N 3.49Å; A147-A150 PolarHBondContact O-N 3.3Å; R148-A150 VanDerWaalsContact C-N 3.3Å; R148-A150 PolarHBondContact O-N 3.24Å; A150-L152 VanDerWaalsContact C-N 3.29Å; A150-G153 PolarHBondContact O-N 3.37Å; A150-G153 VanDerWaalsContact O-N 3.08Å; A150-A157 HydrophobicContact CB-CB 4.18Å; A150-R158 HydrophobicContact CB-CG 3.6Å; A150-R158 PolarHBondContact O-NE 3.46Å; A150-R158 PolarHBondContact O-NH2 3.13Å; A150-L161 HydrophobicContact CB-CD1 3.88Å
151R91.9Very high89.4Confident207 Ų20754.3 Ų54.378%0.78124%0.242SC*.Hα-helixtrans-65.2-35.2172.2-72173.4-170.8166.62.5111.7A147 R148 G153A147-R151 WeakPolarHBondContact O-CG 3.31Å; A147-R151 PolarHBondContact O-N 2.9Å; A147-R151 VanDerWaalsContact O-N 3.16Å; R148-R151 PolarHBondContact O-N 3.07Å; R151-G153 PolarHBondContact O-N 2.99Å
152L85.4Confident88.9Confident54 Ų5456.9 Ų56.928%0.28326%0.259SS..THydrogen-bonded Turntrans-78.712.8171.7-58.7176.3000112.9A122 R123 F126 R148 A149 A150A122-L152 HydrophobicContact CB-CD1 3.91Å; R123-L152 HydrophobicContact CB-CB 3.83Å; R123-L152 HydrophobicContact CB-CD1 3.93Å; R123-L152 WeakPolarHBondContact CD-O 3.46Å; R123-L152 HydrophobicContact CG-CB 3.99Å; F126-L152 HydrophobicContact CD2-CD1 4Å; F126-L152 HydrophobicContact CE2-CD1 4.11Å; R148-L152 PolarHBondContact O-N 3.21Å; A149-L152 CarbonylContact O-C 3.56Å; A149-L152 PolarHBondContact O-N 3.2Å; A150-L152 VanDerWaalsContact C-N 3.29Å
153G84Confident88.3Confident21 Ų2161.9 Ų61.922%0.21629%0.285CS..THydrogen-bonded Turntrans87.69.7173.200000116A149 A150 R151 P155A149-G153 PolarHBondContact O-N 3.43Å; A150-G153 PolarHBondContact O-N 3.37Å; A150-G153 VanDerWaalsContact O-N 3.08Å; R151-G153 PolarHBondContact O-N 2.99Å; G153-P155 WeakPolarHBondContact O-CD 3.47Å
154S84.8Confident87.7Confident3 Ų358.9 Ų58.92%0.02128%0.275CS..  trans-69.9111.9177.4-179.70000112.3V127 A149 F156 A157 R158V127-S154 WeakPolarHBondContact CG2-OG 3.38Å; A149-S154 WeakPolarHBondContact O-CB 3.36Å; A149-S154 PolarHBondContact O-N 3.03Å; S154-F156 VanDerWaalsContact C-N 3.31Å; S154-F156 PolarHBondContact O-N 3.13Å; S154-A157 PolarHBondContact O-N 3.32Å; S154-A157 PolarHBondContact OG-N 2.95Å; S154-R158 PolarHBondContact O-N 3.23Å
155P84.9Confident86.9Confident56 Ų5655.7 Ų55.736%0.36427%0.268SS..Hα-helixtrans-67.6-35.4176.127.9-33.9000111.3G153 A157 R158 R159G153-P155 WeakPolarHBondContact O-CD 3.47Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-A157 PolarHBondContact O-N 3.47Å; P155-R158 PolarHBondContact O-N 2.91Å; P155-R159 PolarHBondContact O-N 3.16Å; P155-R159 VanDerWaalsContact O-N 3.07Å
156F85.2Confident85.6Confident88 Ų8858.6 Ų58.639%0.38629%0.288SS..Hα-helixtrans-57-48.7174.5-179.5-94.2000111.2V127 L131 F146 S154 R158 R159 Q160V127-F156 HydrophobicContact CG1-CD1 3.67Å; V127-F156 HydrophobicContact CG1-CE1 3.87Å; V127-F156 HydrophobicContact CG2-CD1 4.47Å; L131-F156 HydrophobicContact CD1-CE1 4.14Å; L131-F156 HydrophobicContact CD1-CZ 4.33Å; L131-F156 HydrophobicContact CD2-CE1 3.94Å; L131-F156 HydrophobicContact CD2-CZ 3.9Å; L131-F156 HydrophobicContact CG-CE1 4.17Å; F146-F156 HydrophobicContact CE1-CE1 4.13Å; S154-F156 VanDerWaalsContact C-N 3.31Å; S154-F156 PolarHBondContact O-N 3.13Å; F156-R158 VanDerWaalsContact C-N 3.35Å; F156-R158 PolarHBondContact O-N 3.43Å; F156-R159 PolarHBondContact O-N 2.78Å; F156-Q160 HydrophobicContact CD1-CG 3.93Å; F156-Q160 HydrophobicContact CE1-CG 3.5Å; F156-Q160 HydrophobicContact CZ-CG 3.84Å; F156-Q160 WeakPolarHBondContact O-CG 3.24Å; F156-Q160 PolarHBondContact O-N 3.24Å
157A85.4Confident84.5Confident0 Ų066.9 Ų66.90%032%0.32CS..Hα-helixtrans-64.4-38.8-179.200000112.4V127 F146 A149 A150 S154 P155 R159 Q160 L161V127-A157 HydrophobicContact CG2-CB 4.3Å; F146-A157 HydrophobicContact CB-CB 4.13Å; F146-A157 HydrophobicContact CD1-CB 3.95Å; F146-A157 HydrophobicContact CG-CB 4.48Å; F146-A157 WeakPolarHBondContact O-CB 3.12Å; A149-A157 HydrophobicContact CB-CB 3.54Å; A150-A157 HydrophobicContact CB-CB 4.18Å; S154-A157 PolarHBondContact O-N 3.32Å; S154-A157 PolarHBondContact OG-N 2.95Å; P155-A157 VanDerWaalsContact C-N 3.35Å; P155-A157 PolarHBondContact O-N 3.47Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.41Å; A157-Q160 PolarHBondContact O-N 3.44Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 2.86Å
158R85.8Confident83Confident124 Ų12466.8 Ų66.847%0.46832%0.32SS..Hα-helixtrans-58-46.1173.4-68.9175.6-172.3163.81.8111.5A150 S154 P155 F156 Q160 L161 V162A150-R158 HydrophobicContact CB-CG 3.6Å; A150-R158 PolarHBondContact O-NE 3.46Å; A150-R158 PolarHBondContact O-NH2 3.13Å; S154-R158 PolarHBondContact O-N 3.23Å; P155-R158 PolarHBondContact O-N 2.91Å; F156-R158 VanDerWaalsContact C-N 3.35Å; F156-R158 PolarHBondContact O-N 3.43Å; R158-Q160 PolarHBondContact O-N 3.36Å; R158-L161 PolarHBondContact O-N 3.46Å; R158-V162 PolarHBondContact O-N 2.89Å
159R83.7Confident81.5Confident99 Ų9963.8 Ų63.837%0.37432%0.32SS..Hα-helixtrans-61.3-43.7175.6-177.3-178.6-98-178.5-8.1111.4P16 F20 P155 F156 A157 L161 V162 L163P16-R159 PolarHBondContact O-NH2 2.9Å; F20-R159 VanDerWaalsContact CD2-CZ 3.42Å; P155-R159 PolarHBondContact O-N 3.16Å; P155-R159 VanDerWaalsContact O-N 3.07Å; F156-R159 PolarHBondContact O-N 2.78Å; A157-R159 VanDerWaalsContact C-N 3.34Å; A157-R159 PolarHBondContact O-N 3.41Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L161 PolarHBondContact O-N 3.24Å; R159-V162 PolarHBondContact O-N 2.89Å; R159-L163 WeakPolarHBondContact O-CG 3.34Å; R159-L163 PolarHBondContact O-N 3.26Å; R159-L163 VanDerWaalsContact O-N 3.13Å
160Q84.3Confident80.4Confident15 Ų1568.5 Ų68.57%0.0735%0.345CS..Hα-helixtrans-61.5-38.1177.5-66.7-55.8-45.200112.7F146 F156 A157 R158 V162 L163 L164F146-Q160 HydrophobicContact CD1-CB 4.02Å; F146-Q160 HydrophobicContact CD1-CG 4.28Å; F146-Q160 HydrophobicContact CD2-CB 3.7Å; F146-Q160 HydrophobicContact CE1-CB 4.07Å; F146-Q160 HydrophobicContact CE1-CG 3.91Å; F146-Q160 HydrophobicContact CE2-CB 3.75Å; F146-Q160 HydrophobicContact CE2-CG 4.15Å; F146-Q160 HydrophobicContact CG-CB 3.85Å; F146-Q160 HydrophobicContact CZ-CB 3.94Å; F146-Q160 HydrophobicContact CZ-CG 3.83Å; F156-Q160 HydrophobicContact CD1-CG 3.93Å; F156-Q160 HydrophobicContact CE1-CG 3.5Å; F156-Q160 HydrophobicContact CZ-CG 3.84Å; F156-Q160 WeakPolarHBondContact O-CG 3.24Å; F156-Q160 PolarHBondContact O-N 3.24Å; A157-Q160 PolarHBondContact O-N 3.44Å; R158-Q160 PolarHBondContact O-N 3.36Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; Q160-V162 PolarHBondContact O-N 3.44Å; Q160-L163 PolarHBondContact O-N 2.93Å; Q160-L164 WeakPolarHBondContact O-CB 3.3Å; Q160-L164 WeakPolarHBondContact O-CG 3.47Å; Q160-L164 PolarHBondContact O-N 3.04Å
161L83.9Confident79.4Confident51 Ų5171.4 Ų71.427%0.26736%0.363SS..Hα-helixtrans-62.9-38.7175.6-71.1167.1000112.8R143 F146 A147 A150 A157 R158 R159 L163 L164 N165R143-L161 HydrophobicContact CB-CD2 4.47Å; R143-L161 WeakPolarHBondContact O-CD2 3.5Å; F146-L161 HydrophobicContact CB-CD1 4.46Å; F146-L161 HydrophobicContact CB-CD2 3.81Å; F146-L161 HydrophobicContact CB-CG 3.81Å; A147-L161 HydrophobicContact CB-CD1 4.41Å; A147-L161 HydrophobicContact CB-CD2 4.36Å; A150-L161 HydrophobicContact CB-CD1 3.88Å; A157-L161 WeakPolarHBondContact O-CG 3.39Å; A157-L161 PolarHBondContact O-N 2.86Å; R158-L161 PolarHBondContact O-N 3.46Å; R159-L161 VanDerWaalsContact C-N 3.32Å; R159-L161 PolarHBondContact O-N 3.24Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L161-L164 PolarHBondContact O-N 3.07Å; L161-N165 PolarHBondContact O-N 2.9Å; L161-N165 VanDerWaalsContact O-N 3.16Å
162V83.1Confident78.3Confident94 Ų9466.6 Ų66.657%0.5735%0.353SS*.Hα-helixtrans-63-43.4174.8176.30000110.4R158 R159 Q160 L164 N165R158-V162 PolarHBondContact O-N 2.89Å; R159-V162 PolarHBondContact O-N 2.89Å; Q160-V162 VanDerWaalsContact C-N 3.33Å; Q160-V162 PolarHBondContact O-N 3.44Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-L164 PolarHBondContact O-N 3.42Å; V162-N165 VanDerWaalsContact O-CB 3.24Å; V162-N165 WeakPolarHBondContact O-CB 3.27Å; V162-N165 PolarHBondContact O-N 3.27Å
163L80.4Confident77.9Confident106 Ų10672.4 Ų72.456%0.55537%0.371SS*.Hα-helixtrans-66.6-33.5178.1-65.2174.6000112.9R159 Q160 L161 N165R159-L163 WeakPolarHBondContact O-CG 3.34Å; R159-L163 PolarHBondContact O-N 3.26Å; R159-L163 VanDerWaalsContact O-N 3.13Å; Q160-L163 PolarHBondContact O-N 2.93Å; L161-L163 VanDerWaalsContact C-N 3.34Å; L163-N165 PolarHBondContact O-N 3.44Å
164L79.7Confident77.5Confident12 Ų1277.2 Ų77.26%0.06339%0.39CS..THydrogen-bonded Turntrans-81.7-0.8177-72.5171.4000113.4R134 D139 A142 R143 F146 Q160 L161 V162 P166R134-L164 HydrophobicContact CG-CD1 4.38Å; R134-L164 HydrophobicContact CG-CD2 4.3Å; D139-L164 HydrophobicContact CB-CD2 4.12Å; A142-L164 HydrophobicContact CB-CD1 4.09Å; R143-L164 HydrophobicContact CG-CB 3.77Å; R143-L164 HydrophobicContact CG-CD1 3.8Å; R143-L164 HydrophobicContact CG-CG 4.36Å; R143-L164 PolarHBondContact NH1-O 3.46Å; F146-L164 HydrophobicContact CD2-CD1 3.63Å; F146-L164 HydrophobicContact CE2-CD1 3.89Å; Q160-L164 WeakPolarHBondContact O-CB 3.3Å; Q160-L164 WeakPolarHBondContact O-CG 3.47Å; Q160-L164 PolarHBondContact O-N 3.04Å; L161-L164 PolarHBondContact O-N 3.07Å; V162-L164 VanDerWaalsContact C-N 3.32Å; V162-L164 PolarHBondContact O-N 3.42Å; L164-P166 WeakPolarHBondContact O-CD 3.49Å
165N80.3Confident77.1Confident68 Ų6882.3 Ų82.336%0.36442%0.416SS..  trans-71.6115.3177-175.1-23.3000109.3L161 V162 L163 Y167 A168 A169L161-N165 PolarHBondContact O-N 2.9Å; L161-N165 VanDerWaalsContact O-N 3.16Å; V162-N165 VanDerWaalsContact O-CB 3.24Å; V162-N165 WeakPolarHBondContact O-CB 3.27Å; V162-N165 PolarHBondContact O-N 3.27Å; L163-N165 PolarHBondContact O-N 3.44Å; N165-Y167 PolarHBondContact O-N 2.97Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.47Å; N165-Y167 PolarHBondContact OD1-N 3.42Å; N165-A168 HydrophobicContact CB-CB 3.98Å; N165-A168 WeakPolarHBondContact O-CB 3.35Å; N165-A168 PolarHBondContact O-N 3.47Å; N165-A169 PolarHBondContact O-N 2.64Å; N165-A169 VanDerWaalsContact O-N 3.13Å
166P69.6Low76.8Confident74 Ų7482.7 Ų82.748%0.48142%0.424SS..Hα-helixtrans-62.8-29.6-177.526-34.4000112.4L164 A169 L170L164-P166 WeakPolarHBondContact O-CD 3.49Å; P166-A169 PolarHBondContact O-N 2.97Å; P166-L170 VanDerWaalsContact O-CG 3.31Å; P166-L170 WeakPolarHBondContact O-CG 3.23Å; P166-L170 PolarHBondContact O-N 3.18Å
167Y69.4Low76.7Confident173 Ų17382.7 Ų82.768%0.67843%0.428SS*.Hα-helixtrans-69.9-37.3175.4-63.1-76.3000111.9N165 A169 L170 C171N165-Y167 PolarHBondContact O-N 2.97Å; N165-Y167 WeakPolarHBondContact OD1-CB 3.47Å; N165-Y167 PolarHBondContact OD1-N 3.42Å; Y167-A169 VanDerWaalsContact C-N 3.35Å; Y167-L170 PolarHBondContact O-N 3.11Å; Y167-C171 WeakPolarHBondContact O-CB 3.32Å; Y167-C171 PolarHBondContact O-N 3.37Å; Y167-C171 PolarHBondContact O-SG 2.93Å
168A63.5Low76.4Confident28 Ų2888.4 Ų88.423%0.23146%0.456CS..Hα-helixtrans-64.7-41.2174.400000111.2N165 C171 N172N165-A168 HydrophobicContact CB-CB 3.98Å; N165-A168 WeakPolarHBondContact O-CB 3.35Å; N165-A168 PolarHBondContact O-N 3.47Å; A168-C171 PolarHBondContact O-N 3.48Å; A168-N172 WeakPolarHBondContact O-CB 3.36Å; A168-N172 PolarHBondContact O-N 2.95Å; A168-N172 PolarHBondContact O-ND2 3.18Å
169A65.5Low76.1Confident55 Ų5587.5 Ų87.546%0.45546%0.459SS..Hα-helixtrans-63-42.3175.100000112.5N165 P166 Y167 R173N165-A169 PolarHBondContact O-N 2.64Å; N165-A169 VanDerWaalsContact O-N 3.13Å; P166-A169 PolarHBondContact O-N 2.97Å; Y167-A169 VanDerWaalsContact C-N 3.35Å; A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 2.99Å
170L67.6Low76.1Confident100 Ų10084.5 Ų84.552%0.52446%0.458SS..Hα-helixtrans-64.9-47.2175.8-73.9169.1000112P166 Y167 N172 R173 M174P166-L170 VanDerWaalsContact O-CG 3.31Å; P166-L170 WeakPolarHBondContact O-CG 3.23Å; P166-L170 PolarHBondContact O-N 3.18Å; Y167-L170 PolarHBondContact O-N 3.11Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.41Å; L170-R173 PolarHBondContact O-N 3.5Å; L170-M174 WeakPolarHBondContact O-CB 3.46Å; L170-M174 VanDerWaalsContact O-CG 3.3Å; L170-M174 WeakPolarHBondContact O-CG 3.2Å; L170-M174 PolarHBondContact O-N 2.99Å
171C69.3Low75.8Confident71 Ų7190.4 Ų90.448%0.4849%0.486SS..Hα-helixtrans-60-44.1177.2-71.40000111.6Y167 A168 R173 M174 L175Y167-C171 WeakPolarHBondContact O-CB 3.32Å; Y167-C171 PolarHBondContact O-N 3.37Å; Y167-C171 PolarHBondContact O-SG 2.93Å; A168-C171 PolarHBondContact O-N 3.48Å; C171-R173 VanDerWaalsContact C-N 3.34Å; C171-R173 PolarHBondContact O-N 2.92Å; C171-M174 PolarHBondContact O-N 3.29Å; C171-L175 WeakPolarHBondContact O-CB 3.37Å; C171-L175 VanDerWaalsContact O-CG 3.27Å; C171-L175 WeakPolarHBondContact O-CG 3.36Å; C171-L175 PolarHBondContact O-N 3.03Å
172N69.6Low75.4Confident107 Ų10794.7 Ų94.757%0.57251%0.508SS*.Hα-helixtrans-62.8-41.3177.8-72.3-14.4000111.8A168 L170 A176A168-N172 WeakPolarHBondContact O-CB 3.36Å; A168-N172 PolarHBondContact O-N 2.95Å; A168-N172 PolarHBondContact O-ND2 3.18Å; L170-N172 VanDerWaalsContact C-N 3.34Å; L170-N172 PolarHBondContact O-N 3.41Å; N172-A176 WeakPolarHBondContact O-CB 3.33Å; N172-A176 PolarHBondContact O-N 3.07Å
173R75.5Confident75Confident175 Ų175100 Ų10066%0.6652%0.518SS*.Hα-helixtrans-65.2-46.8176.1-176.8173.4175162.1-1.6111.7A169 L170 C171 L175 A176 D177A169-R173 WeakPolarHBondContact O-CB 3.39Å; A169-R173 PolarHBondContact O-N 2.99Å; L170-R173 PolarHBondContact O-N 3.5Å; C171-R173 VanDerWaalsContact C-N 3.34Å; C171-R173 PolarHBondContact O-N 2.92Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-L175 PolarHBondContact O-N 3.39Å; R173-A176 PolarHBondContact O-N 3.07Å; R173-D177 WeakPolarHBondContact O-CB 3.42Å; R173-D177 PolarHBondContact O-N 3.42Å
174M75.8Confident74.2Confident123 Ų123104.5 Ų104.561%0.60653%0.528SS*.Hα-helixtrans-61-41.8177.3-71.717970.500112.1L170 C171 D177 M178L170-M174 WeakPolarHBondContact O-CB 3.46Å; L170-M174 VanDerWaalsContact O-CG 3.3Å; L170-M174 WeakPolarHBondContact O-CG 3.2Å; L170-M174 PolarHBondContact O-N 2.99Å; C171-M174 PolarHBondContact O-N 3.29Å; M174-D177 PolarHBondContact O-N 3.39Å; M174-M178 WeakPolarHBondContact O-CB 3.21Å; M174-M178 WeakPolarHBondContact O-CG 3.47Å; M174-M178 PolarHBondContact O-N 3.43Å
175L77Confident73.2Confident110 Ų110108.8 Ų108.858%0.57656%0.556SS**Hα-helixtrans-64.4-42.8175.3-75.3169.1000111.8C171 R173 M178 M179C171-L175 WeakPolarHBondContact O-CB 3.37Å; C171-L175 VanDerWaalsContact O-CG 3.27Å; C171-L175 WeakPolarHBondContact O-CG 3.36Å; C171-L175 PolarHBondContact O-N 3.03Å; R173-L175 VanDerWaalsContact C-N 3.34Å; R173-L175 PolarHBondContact O-N 3.39Å; L175-M178 PolarHBondContact O-N 3.12Å; L175-M179 WeakPolarHBondContact O-CB 3.3Å; L175-M179 VanDerWaalsContact O-CG 3.23Å; L175-M179 WeakPolarHBondContact O-CG 3.11Å; L175-M179 PolarHBondContact O-N 3.25Å
176A77.3Confident72.3Confident63 Ų63116.6 Ų116.652%0.52158%0.58SS.*Hα-helixtrans-63.2-43.3176.600000112N172 R173 M179 G180N172-A176 WeakPolarHBondContact O-CB 3.33Å; N172-A176 PolarHBondContact O-N 3.07Å; R173-A176 PolarHBondContact O-N 3.07Å; A176-M179 PolarHBondContact O-N 3.01Å; A176-G180 PolarHBondContact O-N 2.68Å
177D83.1Confident71.6Confident89 Ų89120.6 Ų120.648%0.47660%0.598SS.*Hα-helixtrans-63.5-45.9177.1-72.7-18.6000111.2R173 M174 G180 Q181R173-D177 WeakPolarHBondContact O-CB 3.42Å; R173-D177 PolarHBondContact O-N 3.42Å; M174-D177 PolarHBondContact O-N 3.39Å; D177-G180 PolarHBondContact O-N 3.42Å; D177-Q181 WeakPolarHBondContact O-CG 3.4Å; D177-Q181 PolarHBondContact O-N 3.49Å
178M79.1Confident70.8Confident119 Ų119117.4 Ų117.459%0.58660%0.6SS**Hα-helixtrans-58.8-47.6174.5-81.8-94.3-158.800112.3M174 L175 G180 Q181 L182M174-M178 WeakPolarHBondContact O-CB 3.21Å; M174-M178 WeakPolarHBondContact O-CG 3.47Å; M174-M178 PolarHBondContact O-N 3.43Å; L175-M178 PolarHBondContact O-N 3.12Å; M178-G180 VanDerWaalsContact C-N 3.3Å; M178-G180 PolarHBondContact O-N 3.33Å; M178-Q181 PolarHBondContact O-N 2.98Å; M178-L182 WeakPolarHBondContact O-CG 3.29Å; M178-L182 PolarHBondContact O-N 3.41Å
179M81.6Confident70Confident106 Ų106131.1 Ų131.152%0.52265%0.646SS.*Hα-helixtrans-64.2-35.4177.7-73.4-71.4-76.500112.1L175 A176 L182 R183L175-M179 WeakPolarHBondContact O-CB 3.3Å; L175-M179 VanDerWaalsContact O-CG 3.23Å; L175-M179 WeakPolarHBondContact O-CG 3.11Å; L175-M179 PolarHBondContact O-N 3.25Å; A176-M179 PolarHBondContact O-N 3.01Å; M179-L182 PolarHBondContact O-N 3.14Å; M179-R183 WeakPolarHBondContact O-CG 3.44Å; M179-R183 PolarHBondContact O-N 3.1Å; M179-R183 VanDerWaalsContact O-N 3.1Å
180G81.7Confident70.2Confident35 Ų35134.9 Ų134.936%0.36166%0.656SS.*Hα-helixtrans-64.7-40.4173.200000112.8A176 D177 M178 R183 R184A176-G180 PolarHBondContact O-N 2.68Å; D177-G180 PolarHBondContact O-N 3.42Å; M178-G180 VanDerWaalsContact C-N 3.3Å; M178-G180 PolarHBondContact O-N 3.33Å; G180-R183 PolarHBondContact O-N 3.47Å; G180-R184 PolarHBondContact O-N 3.03Å
181Q79.2Confident70.3Confident140 Ų140136.7 Ų136.765%0.65466%0.663SS**Hα-helixtrans-66-39.7175.3-70.4175.219.500112.2D177 M178 R183 R184D177-Q181 WeakPolarHBondContact O-CG 3.4Å; D177-Q181 PolarHBondContact O-N 3.49Å; M178-Q181 PolarHBondContact O-N 2.98Å; Q181-R183 VanDerWaalsContact C-N 3.33Å; Q181-R183 PolarHBondContact O-N 3.22Å; Q181-R184 PolarHBondContact O-N 2.87Å
182L75.7Confident70.4Confident141 Ų141140.4 Ų140.474%0.73867%0.673SS**Hα-helixtrans-68.7-29.4177.1-70.7169.1000113.3M178 M179M178-L182 WeakPolarHBondContact O-CG 3.29Å; M178-L182 PolarHBondContact O-N 3.41Å; M179-L182 PolarHBondContact O-N 3.14Å
183R73.8Confident70.5Confident205 Ų205142.4 Ų142.477%0.77468%0.679SS**Hα-helixtrans-80.6-15.7177.6-80-178.9171.5-176.3-1.6114.2M179 G180 Q181 P185M179-R183 WeakPolarHBondContact O-CG 3.44Å; M179-R183 PolarHBondContact O-N 3.1Å; M179-R183 VanDerWaalsContact O-N 3.1Å; G180-R183 PolarHBondContact O-N 3.47Å; Q181-R183 VanDerWaalsContact C-N 3.33Å; Q181-R183 PolarHBondContact O-N 3.22Å; R183-P185 VanDerWaalsContact O-CD 3.29Å; R183-P185 WeakPolarHBondContact O-CD 3.45Å
184R64.1Low70.1Confident201 Ų201140.3 Ų140.376%0.75868%0.68SS**SBendtrans-79.3111.3170.6-72.7-175.5178.8179.90.6107.4G180 Q181 R186G180-R184 PolarHBondContact O-N 3.03Å; Q181-R184 PolarHBondContact O-N 2.87Å; R184-R186 PolarHBondContact O-N 2.8Å
185P58.8Low69.8Low101 Ų101141.5 Ų141.566%0.65669%0.685SS**  trans-56.5135.6173.425.1-31.2000107.3R183 D187R183-P185 VanDerWaalsContact O-CD 3.29Å; R183-P185 WeakPolarHBondContact O-CD 3.45Å; P185-D187 PolarHBondContact O-N 3.33Å
186R60.4Low69.2Low233 Ų233143.7 Ų143.788%0.87969%0.693SS**  trans-60.598166.2-79.1-179.6171.5172.8-2.7105.8R184 S188R184-R186 PolarHBondContact O-N 2.8Å; R186-S188 PolarHBondContact O-N 3.29Å; R186-S188 PolarHBondContact O-OG 3.27Å
187D56.7Low68.6Low158 Ų158149.9 Ų149.985%0.84571%0.706SS**  trans-67.277.3158.9-83.9-17.6000106.5P185 R189P185-D187 PolarHBondContact O-N 3.33Å; D187-R189 PolarHBondContact O-N 2.81Å
188S52.3Low67.4Low105 Ų105155 Ų15573%0.73473%0.725SS**  trans-73.5107.1167.923.70000107.9R186R186-S188 PolarHBondContact O-N 3.29Å; R186-S188 PolarHBondContact O-OG 3.27Å
189R45.7Very low66.4Low316 Ų316158.3 Ų158.3100%1.19274%0.738SS**  trans-640149.2-71.4-177.5-177.7179.90.3110.3D187D187-R189 PolarHBondContact O-N 2.81Å

Retrieved 189 of 189 residues in 59.3 ms (Link to these results)