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Deoxyhypusine hydroxylase

Catalyzes the hydroxylation of the N(6)-(4-aminobutyl)-L-lysine intermediate to form hypusine, an essential post-translational modification only found in mature eIF-5A factor.

AlphaFold DB , UniProt , Accession G4VSX8, Species SCHMA (Schistosoma mansoni, Blood fluke), Gene dohh, Length 358 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 low82.6Confident199 Ų19989.3 Ų89.398%0.9849%0.493SS*.  0137.50-73.9162.717600107.2
2T55.9Low83.9Confident137 Ų13791.3 Ų91.384%0.8449%0.488SS*.PPolyproline II helixtrans-66.6133.9176.622.10000110K4T2-K4 PolarHBondContact O-N 2.94Å
3P66.5Low85Confident85 Ų8593.2 Ų93.255%0.55249%0.492SS*.PPolyproline II helixtrans-52.6139.7174.5-21.730.5000110.2
4K76.6Confident85.9Confident112 Ų11290.1 Ų90.149%0.48747%0.471SS..PPolyproline II helixtrans-62.4136.7171.7173.8-178.6177.1-170.80108.1T2 V355 P356T2-K4 PolarHBondContact O-N 2.94Å; K4-V355 HydrophobicContact CB-CB 4.35Å; K4-V355 HydrophobicContact CB-CG1 3.67Å; K4-V355 HydrophobicContact CD-CG1 4.16Å; K4-V355 HydrophobicContact CG-CG1 3.98Å; K4-V355 WeakPolarHBondContact O-CG1 3.19Å; K4-P356 WeakPolarHBondContact CB-O 3.34Å
5P87.1Confident86.7Confident100 Ų10084.3 Ų84.365%0.64944%0.441SS*.PPolyproline II helixtrans-60.7138.3175.1-22.732.7000111.3E40P5-E40 VanDerWaalsContact CA-OE1 3.29Å; P5-E40 WeakPolarHBondContact CA-OE1 3.29Å
6V92.1Very high87.5Confident9 Ų988.6 Ų88.66%0.05546%0.455CS..PPolyproline II helixtrans-94135.3174.8-173.40000108.7E10 L11 W14 A38 E40 V355V6-E10 HydrophobicContact CG1-CB 3.96Å; V6-E10 HydrophobicContact CG1-CG 3.84Å; V6-E10 WeakPolarHBondContact CG1-OE2 3.21Å; V6-L11 HydrophobicContact CB-CD2 4.06Å; V6-L11 HydrophobicContact CB-CG 4.22Å; V6-L11 HydrophobicContact CG1-CD2 3.7Å; V6-L11 HydrophobicContact CG1-CG 3.78Å; V6-W14 HydrophobicContact CG1-CH2 3.76Å; V6-W14 HydrophobicContact CG1-CZ3 3.69Å; V6-W14 HydrophobicContact CG2-CH2 4.3Å; V6-W14 HydrophobicContact CG2-CZ3 4.35Å; V6-A38 HydrophobicContact CB-CB 4.32Å; V6-A38 HydrophobicContact CG2-CB 3.91Å; V6-E40 PolarHBondContact N-OE1 3.29Å; V6-V355 HydrophobicContact CG2-CB 4.37Å; V6-V355 HydrophobicContact CG2-CG1 3.95Å; V6-V355 HydrophobicContact CG2-CG2 3.44Å; V6-V355 VanDerWaalsContact CG2-CG2 3.44Å
7S95.2Very high88.1Confident60 Ų6085.4 Ų85.442%0.4244%0.442SS..PPolyproline II helixtrans-69.5147.3-179.774.60000111.4T9 E10 L11S7-T9 PolarHBondContact O-N 3.33Å; S7-E10 PolarHBondContact O-N 3.17Å; S7-E10 VanDerWaalsContact O-N 3.11Å; S7-E10 VanDerWaalsContact OG-CB 3.28Å; S7-E10 WeakPolarHBondContact OG-CB 3.28Å; S7-E10 PolarHBondContact OG-N 3.3Å; S7-E10 VanDerWaalsContact OG-N 3.16Å; S7-L11 WeakPolarHBondContact O-CG 3.43Å; S7-L11 PolarHBondContact O-N 3.08Å
8E96.8Very high88.7Confident114 Ų11480.7 Ų80.753%0.53342%0.417SS..Hα-helixtrans-55.9-36.8174.4179.8174.1159.300112.1L11 R12 L42E8-L11 PolarHBondContact O-N 3.01Å; E8-R12 HydrophobicContact CG-CG 4.4Å; E8-R12 WeakPolarHBondContact O-CB 3.35Å; E8-R12 VanDerWaalsContact O-CG 3.27Å; E8-R12 WeakPolarHBondContact O-CG 3.4Å; E8-R12 PolarHBondContact O-N 3.17Å; E8-R12 IonicContact OE1-CZ 2.7Å; E8-R12 IonicContact OE1-NE 2.66Å; E8-R12 PolarHBondContact OE1-NE 3.23Å; E8-R12 IonicContact OE1-NH2 3.81Å; E8-R12 PolarHBondContact OE1-NH2 3.47Å; E8-L42 HydrophobicContact CG-CD2 3.7Å
9T97.4Very high89.2Confident92 Ų9278.1 Ų78.156%0.56440%0.404SS*.Hα-helixtrans-58.9-49.7176-560000111.4S7 R12 E13S7-T9 PolarHBondContact O-N 3.33Å; T9-R12 PolarHBondContact O-N 2.82Å; T9-E13 WeakPolarHBondContact O-CG 3.46Å; T9-E13 PolarHBondContact O-N 3.07Å
10E96.6Very high89.6Confident72 Ų7277.6 Ų77.634%0.33640%0.402SS..Hα-helixtrans-64.5-42.7-179.8-177.9170.4-155.100111.6V6 S7 R12 E13 W14V6-E10 HydrophobicContact CG1-CB 3.96Å; V6-E10 HydrophobicContact CG1-CG 3.84Å; V6-E10 WeakPolarHBondContact CG1-OE2 3.21Å; S7-E10 PolarHBondContact O-N 3.17Å; S7-E10 VanDerWaalsContact O-N 3.11Å; S7-E10 VanDerWaalsContact OG-CB 3.28Å; S7-E10 WeakPolarHBondContact OG-CB 3.28Å; S7-E10 PolarHBondContact OG-N 3.3Å; S7-E10 VanDerWaalsContact OG-N 3.16Å; E10-R12 VanDerWaalsContact C-N 3.31Å; E10-R12 PolarHBondContact O-N 3.27Å; E10-E13 WeakPolarHBondContact O-CB 3.5Å; E10-E13 PolarHBondContact O-N 3.27Å; E10-E13 VanDerWaalsContact O-N 3.12Å; E10-W14 HydrophobicContact CG-CD2 4.39Å; E10-W14 HydrophobicContact CG-CH2 4.07Å; E10-W14 HydrophobicContact CG-CZ2 3.68Å; E10-W14 PolarHBondContact O-N 3.3Å
11L97.8Very high89.9Confident2 Ų277.1 Ų77.11%0.0140%0.404CS..Hα-helixtrans-58.1-44.2173.6-66.1172.5000111.8V6 S7 E8 E13 W14 G15 L35 A38 E40 L42 A43 L46V6-L11 HydrophobicContact CB-CD2 4.06Å; V6-L11 HydrophobicContact CB-CG 4.22Å; V6-L11 HydrophobicContact CG1-CD2 3.7Å; V6-L11 HydrophobicContact CG1-CG 3.78Å; S7-L11 WeakPolarHBondContact O-CG 3.43Å; S7-L11 PolarHBondContact O-N 3.08Å; E8-L11 PolarHBondContact O-N 3.01Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 2.95Å; L11-W14 HydrophobicContact CD2-CE3 3.98Å; L11-W14 HydrophobicContact CD2-CZ3 3.95Å; L11-W14 PolarHBondContact O-N 3.18Å; L11-G15 PolarHBondContact O-N 3.08Å; L11-L35 HydrophobicContact CD2-CD2 4.04Å; L11-A38 HydrophobicContact CD2-CB 3.53Å; L11-E40 HydrophobicContact CD1-CB 3.57Å; L11-E40 HydrophobicContact CD1-CG 3.89Å; L11-L42 HydrophobicContact CB-CD2 4.01Å; L11-L42 HydrophobicContact CB-CG 4.41Å; L11-L42 HydrophobicContact CD1-CB 4.14Å; L11-L42 HydrophobicContact CD1-CD2 4.19Å; L11-L42 HydrophobicContact CD1-CG 4.41Å; L11-A43 HydrophobicContact CD2-CB 3.94Å; L11-L46 HydrophobicContact CB-CD1 4.28Å; L11-L46 WeakPolarHBondContact O-CD1 3.39Å
12R97.9Very high92.2Very high114 Ų11472.9 Ų72.943%0.4339%0.394SS..Hα-helixtrans-68.8-29.9177.9-70.6-179.2-176.7-65.6-0.9112.5E8 T9 E10 K16 L42E8-R12 HydrophobicContact CG-CG 4.4Å; E8-R12 WeakPolarHBondContact O-CB 3.35Å; E8-R12 VanDerWaalsContact O-CG 3.27Å; E8-R12 WeakPolarHBondContact O-CG 3.4Å; E8-R12 PolarHBondContact O-N 3.17Å; E8-R12 IonicContact OE1-CZ 2.7Å; E8-R12 IonicContact OE1-NE 2.66Å; E8-R12 PolarHBondContact OE1-NE 3.23Å; E8-R12 IonicContact OE1-NH2 3.81Å; E8-R12 PolarHBondContact OE1-NH2 3.47Å; T9-R12 PolarHBondContact O-N 2.82Å; E10-R12 VanDerWaalsContact C-N 3.31Å; E10-R12 PolarHBondContact O-N 3.27Å; R12-K16 WeakPolarHBondContact O-CB 3.35Å; R12-K16 VanDerWaalsContact O-CG 3.23Å; R12-K16 WeakPolarHBondContact O-CG 3.47Å; R12-K16 PolarHBondContact O-N 3.15Å; R12-L42 HydrophobicContact CG-CD2 4.1Å
13E98.1Very high94.2Very high115 Ų11567.4 Ų67.454%0.53736%0.362SS..Hα-helixtrans-68.1-45.1172.9-75.4173.517600111.3T9 E10 L11 K16 C17T9-E13 WeakPolarHBondContact O-CG 3.46Å; T9-E13 PolarHBondContact O-N 3.07Å; E10-E13 WeakPolarHBondContact O-CB 3.5Å; E10-E13 PolarHBondContact O-N 3.27Å; E10-E13 VanDerWaalsContact O-N 3.12Å; L11-E13 VanDerWaalsContact C-N 3.32Å; L11-E13 PolarHBondContact O-N 2.95Å; E13-K16 PolarHBondContact O-N 3.33Å; E13-C17 WeakPolarHBondContact O-CB 3.25Å; E13-C17 PolarHBondContact O-N 3.03Å
14W97.9Very high95.7Very high51 Ų5167 Ų6719%0.19336%0.359CS..Hα-helixtrans-60.7-45.8172-65.7-22.4000111.8V6 E10 L11 K16 C17 L18 A31 G34 L35 A38V6-W14 HydrophobicContact CG1-CH2 3.76Å; V6-W14 HydrophobicContact CG1-CZ3 3.69Å; V6-W14 HydrophobicContact CG2-CH2 4.3Å; V6-W14 HydrophobicContact CG2-CZ3 4.35Å; E10-W14 HydrophobicContact CG-CD2 4.39Å; E10-W14 HydrophobicContact CG-CH2 4.07Å; E10-W14 HydrophobicContact CG-CZ2 3.68Å; E10-W14 PolarHBondContact O-N 3.3Å; L11-W14 HydrophobicContact CD2-CE3 3.98Å; L11-W14 HydrophobicContact CD2-CZ3 3.95Å; L11-W14 PolarHBondContact O-N 3.18Å; W14-K16 VanDerWaalsContact C-N 3.34Å; W14-K16 PolarHBondContact O-N 2.86Å; W14-C17 WeakPolarHBondContact O-CB 3.42Å; W14-C17 PolarHBondContact O-N 2.66Å; W14-C17 VanDerWaalsContact O-N 3.12Å; W14-L18 WeakPolarHBondContact O-CB 3.29Å; W14-L18 PolarHBondContact O-N 3.02Å; W14-A31 HydrophobicContact CB-CB 3.97Å; W14-A31 HydrophobicContact CG-CB 4.39Å; W14-A31 WeakPolarHBondContact O-CB 3.48Å; W14-G34 VanDerWaalsContact CE3-C 3.44Å; W14-G34 VanDerWaalsContact CZ3-O 3.26Å; W14-G34 WeakPolarHBondContact CZ3-O 3.42Å; W14-L35 HydrophobicContact CB-CD1 4.41Å; W14-L35 HydrophobicContact CB-CD2 4.08Å; W14-L35 HydrophobicContact CB-CG 3.97Å; W14-L35 HydrophobicContact CE3-CD2 4.15Å; W14-L35 HydrophobicContact CE3-CG 4.32Å; W14-A38 HydrophobicContact CZ3-CB 4.35Å
15G98.1Very high96.7Very high3 Ų363.3 Ų63.33%0.03134%0.344CS..Hα-helixtrans-56.8-45.6175.100000112.6L11 C17 L18 L19L11-G15 PolarHBondContact O-N 3.08Å; G15-C17 VanDerWaalsContact C-N 3.35Å; G15-C17 PolarHBondContact O-N 3.49Å; G15-L18 PolarHBondContact O-N 3.04Å; G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 VanDerWaalsContact O-CG 3.24Å; G15-L19 WeakPolarHBondContact O-CG 3.28Å; G15-L19 PolarHBondContact O-N 3.4Å; G15-L19 VanDerWaalsContact O-N 3.11Å
16K98.3Very high97.2Very high153 Ų15359.8 Ų59.867%0.66532%0.321SS*.Hα-helixtrans-62.4-40.2175-75.6170.1-174.6173.80112.5R12 E13 W14 N20R12-K16 WeakPolarHBondContact O-CB 3.35Å; R12-K16 VanDerWaalsContact O-CG 3.23Å; R12-K16 WeakPolarHBondContact O-CG 3.47Å; R12-K16 PolarHBondContact O-N 3.15Å; E13-K16 PolarHBondContact O-N 3.33Å; W14-K16 VanDerWaalsContact C-N 3.34Å; W14-K16 PolarHBondContact O-N 2.86Å; K16-N20 WeakPolarHBondContact O-CB 3.36Å; K16-N20 PolarHBondContact O-N 3.08Å; K16-N20 VanDerWaalsContact O-N 3.14Å
17C98.4Very high97.4Very high34 Ų3462.8 Ų62.823%0.2334%0.336CS..Hα-helixtrans-63.6-50177.2-172.40000111.1E13 W14 G15 L19 N20 D27 A31E13-C17 WeakPolarHBondContact O-CB 3.25Å; E13-C17 PolarHBondContact O-N 3.03Å; W14-C17 WeakPolarHBondContact O-CB 3.42Å; W14-C17 PolarHBondContact O-N 2.66Å; W14-C17 VanDerWaalsContact O-N 3.12Å; G15-C17 VanDerWaalsContact C-N 3.35Å; G15-C17 PolarHBondContact O-N 3.49Å; C17-L19 PolarHBondContact O-N 3.04Å; C17-N20 WeakPolarHBondContact O-CB 3.21Å; C17-N20 PolarHBondContact O-N 2.55Å; C17-D27 PolarHBondContact SG-O 2.7Å; C17-A31 HydrophobicContact CB-CB 3.85Å
18L98.2Very high97.6Very high0 Ų060.7 Ų60.70%032%0.319CS..Hα-helixtrans-56.2-38179-179.955.6000112.3W14 G15 R28 A31 L32 L35 L47 F50 L65W14-L18 WeakPolarHBondContact O-CB 3.29Å; W14-L18 PolarHBondContact O-N 3.02Å; G15-L18 PolarHBondContact O-N 3.04Å; L18-R28 HydrophobicContact CD1-CB 4.43Å; L18-R28 PolarHBondContact O-NE 3.16Å; L18-R28 PolarHBondContact O-NH2 3.28Å; L18-A31 HydrophobicContact CB-CB 4.43Å; L18-L32 HydrophobicContact CD1-CB 4.05Å; L18-L32 HydrophobicContact CD1-CD1 4.37Å; L18-L32 HydrophobicContact CD2-CB 4.37Å; L18-L35 HydrophobicContact CD2-CD1 3.95Å; L18-L47 HydrophobicContact CD2-CD2 4.49Å; L18-F50 HydrophobicContact CD1-CD1 3.88Å; L18-F50 HydrophobicContact CD1-CE1 3.75Å; L18-F50 HydrophobicContact CD1-CG 4.31Å; L18-F50 HydrophobicContact CD1-CZ 4.09Å; L18-F50 HydrophobicContact CD2-CB 3.91Å; L18-F50 HydrophobicContact CD2-CD1 3.73Å; L18-F50 HydrophobicContact CD2-CE1 4.44Å; L18-F50 HydrophobicContact CD2-CG 3.87Å; L18-F50 HydrophobicContact CG-CB 4.34Å; L18-F50 HydrophobicContact CG-CD1 3.9Å; L18-F50 HydrophobicContact CG-CD2 4.29Å; L18-F50 HydrophobicContact CG-CE1 4.25Å; L18-F50 HydrophobicContact CG-CG 3.91Å; L18-L65 HydrophobicContact CD1-CD1 4.42Å
19L97.9Very high97.6Very high32 Ų3255.3 Ų55.317%0.16829%0.294CS..THydrogen-bonded Turntrans-89.44.1-180-59.1178.4000114.2G15 C17 P21 F50 Y54 I60G15-L19 WeakPolarHBondContact O-CB 3.35Å; G15-L19 VanDerWaalsContact O-CG 3.24Å; G15-L19 WeakPolarHBondContact O-CG 3.28Å; G15-L19 PolarHBondContact O-N 3.4Å; G15-L19 VanDerWaalsContact O-N 3.11Å; C17-L19 PolarHBondContact O-N 3.04Å; L19-P21 WeakPolarHBondContact O-CD 3.47Å; L19-F50 HydrophobicContact CD2-CB 4Å; L19-F50 HydrophobicContact CD2-CD2 3.66Å; L19-F50 HydrophobicContact CD2-CG 4.21Å; L19-Y54 HydrophobicContact CD1-CE2 4.02Å; L19-Y54 HydrophobicContact CD2-CD2 3.65Å; L19-Y54 HydrophobicContact CD2-CE1 4.37Å; L19-Y54 HydrophobicContact CD2-CE2 3.35Å; L19-Y54 HydrophobicContact CD2-CG 4.25Å; L19-Y54 HydrophobicContact CG-CE2 4.29Å; L19-I60 HydrophobicContact CD2-CG2 3.89Å; L19-I60 VanDerWaalsContact O-CD1 3.23Å; L19-I60 WeakPolarHBondContact O-CD1 3.11Å; L19-I60 WeakPolarHBondContact O-CG1 3.4Å
20N97.6Very high97.5Very high68 Ų6855 Ų5536%0.36428%0.282SS..  trans-92.6109.7179.7-179.16.5000111K16 C17 S22 A23K16-N20 WeakPolarHBondContact O-CB 3.36Å; K16-N20 PolarHBondContact O-N 3.08Å; K16-N20 VanDerWaalsContact O-N 3.14Å; C17-N20 WeakPolarHBondContact O-CB 3.21Å; C17-N20 PolarHBondContact O-N 2.55Å; N20-S22 PolarHBondContact O-N 2.99Å; N20-S22 VanDerWaalsContact O-N 3.14Å; N20-S22 WeakPolarHBondContact OD1-CB 3.27Å; N20-S22 PolarHBondContact OD1-N 2.92Å; N20-A23 HydrophobicContact CB-CB 3.99Å; N20-A23 WeakPolarHBondContact O-CB 3.32Å; N20-A23 PolarHBondContact O-N 3.29Å; N20-A23 VanDerWaalsContact O-N 3.1Å
21P95.7Very high97.5Very high68 Ų6851.7 Ų51.744%0.44227%0.268SS..THydrogen-bonded Turntrans-69.6-11.1179.831-36.2000113.4L19 P59 I60L19-P21 WeakPolarHBondContact O-CD 3.47Å; P21-P59 HydrophobicContact CB-CB 3.99Å; P21-P59 HydrophobicContact CB-CG 4.35Å; P21-P59 HydrophobicContact CG-CG 4.42Å; P21-I60 HydrophobicContact CB-CG1 4.42Å; P21-I60 HydrophobicContact CG-CG1 4.38Å
22S97.2Very high97.5Very high110 Ų11051.6 Ų51.677%0.76927%0.267SS*.THydrogen-bonded Turntrans-93.7-8.9174.3-55.40000113.7N20N20-S22 PolarHBondContact O-N 2.99Å; N20-S22 VanDerWaalsContact O-N 3.14Å; N20-S22 WeakPolarHBondContact OD1-CB 3.27Å; N20-S22 PolarHBondContact OD1-N 2.92Å
23A97.5Very high97.3Very high21 Ų2148.4 Ų48.417%0.17426%0.255CS..SBendtrans-73.4152.5172.300000110.3N20 D27 R28N20-A23 HydrophobicContact CB-CB 3.99Å; N20-A23 WeakPolarHBondContact O-CB 3.32Å; N20-A23 PolarHBondContact O-N 3.29Å; N20-A23 VanDerWaalsContact O-N 3.1Å; A23-D27 HydrophobicContact CB-CB 4.4Å; A23-R28 HydrophobicContact CB-CG 3.84Å
24T97.6Very high97.1Very high77 Ų7743 Ų4347%0.47223%0.23SC..  trans-68156.9177.172.30000110.6V26 D27 R28T24-V26 PolarHBondContact O-N 3.43Å; T24-D27 WeakPolarHBondContact CB-OD2 3.13Å; T24-D27 PolarHBondContact O-N 3.17Å; T24-D27 PolarHBondContact OG1-N 3.49Å; T24-D27 VanDerWaalsContact OG1-N 3.08Å; T24-D27 PolarHBondContact OG1-OD2 2.98Å; T24-R28 WeakPolarHBondContact O-CG 3.25Å; T24-R28 PolarHBondContact O-N 3.34Å
25L97.5Very high97Very high35 Ų3540.6 Ų40.618%0.18322%0.221CC..Hα-helixtrans-54.9-41.4174.6-177.772000111.4R28 S29 L65 E332 V335 L336L25-R28 PolarHBondContact O-N 3.45Å; L25-S29 WeakPolarHBondContact O-CB 3.17Å; L25-S29 PolarHBondContact O-N 3.29Å; L25-L65 HydrophobicContact CD1-CD1 4.03Å; L25-L65 HydrophobicContact CD1-CD2 4.31Å; L25-L65 HydrophobicContact CD1-CG 4.07Å; L25-E332 HydrophobicContact CD2-CB 3.62Å; L25-E332 HydrophobicContact CD2-CG 3.85Å; L25-V335 HydrophobicContact CD2-CB 4.29Å; L25-V335 HydrophobicContact CD2-CG1 4.24Å; L25-L336 HydrophobicContact CD2-CD1 4.34Å; L25-L336 HydrophobicContact CD2-CD2 4.03Å; L25-L336 HydrophobicContact CD2-CG 3.85Å; L25-L336 HydrophobicContact CG-CD1 4.35Å; L25-L336 HydrophobicContact CG-CD2 3.88Å; L25-L336 HydrophobicContact CG-CG 4.12Å
26V97.2Very high96.7Very high26 Ų2641.7 Ų41.716%0.15822%0.224CC..Hα-helixtrans-62.3-47.2177.7172.20000111.4T24 R28 S29 R30 V335 L336 D339T24-V26 PolarHBondContact O-N 3.43Å; V26-R28 VanDerWaalsContact C-N 3.3Å; V26-R28 PolarHBondContact O-N 3.35Å; V26-S29 PolarHBondContact O-N 3.48Å; V26-R30 HydrophobicContact CG1-CG 4.45Å; V26-R30 WeakPolarHBondContact O-CB 3.31Å; V26-R30 WeakPolarHBondContact O-CG 3.37Å; V26-R30 PolarHBondContact O-N 2.97Å; V26-V335 HydrophobicContact CG2-CG1 4.26Å; V26-L336 HydrophobicContact CG2-CD2 4.12Å; V26-D339 HydrophobicContact CG1-CB 4.26Å; V26-D339 VanDerWaalsContact CG1-CG 3.46Å; V26-D339 WeakPolarHBondContact CG1-OD1 3.46Å; V26-D339 HydrophobicContact CG2-CB 4.02Å
27D97.1Very high96.2Very high72 Ų7237.6 Ų37.639%0.38521%0.207SC..Hα-helixtrans-62.9-39.6179.5-62.9-41.9000111.7C17 A23 T24 A31C17-D27 PolarHBondContact SG-O 2.7Å; A23-D27 HydrophobicContact CB-CB 4.4Å; T24-D27 WeakPolarHBondContact CB-OD2 3.13Å; T24-D27 PolarHBondContact O-N 3.17Å; T24-D27 PolarHBondContact OG1-N 3.49Å; T24-D27 VanDerWaalsContact OG1-N 3.08Å; T24-D27 PolarHBondContact OG1-OD2 2.98Å; D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.32Å
28R98.3Very high95.9Very high16 Ų1636 Ų366%0.0620%0.197CC..Hα-helixtrans-66.7-44.8177-66178.169.4-163.3-2.3111.6L18 A23 T24 L25 V26 A31 L32 I60 L65L18-R28 HydrophobicContact CD1-CB 4.43Å; L18-R28 PolarHBondContact O-NE 3.16Å; L18-R28 PolarHBondContact O-NH2 3.28Å; A23-R28 HydrophobicContact CB-CG 3.84Å; T24-R28 WeakPolarHBondContact O-CG 3.25Å; T24-R28 PolarHBondContact O-N 3.34Å; L25-R28 PolarHBondContact O-N 3.45Å; V26-R28 VanDerWaalsContact C-N 3.3Å; V26-R28 PolarHBondContact O-N 3.35Å; R28-A31 PolarHBondContact O-N 3.1Å; R28-L32 PolarHBondContact O-N 3.13Å; R28-I60 PolarHBondContact NH2-O 2.96Å; R28-L65 HydrophobicContact CB-CD1 3.59Å
29S97.5Very high95.5Very high1 Ų139.5 Ų39.51%0.00723%0.225CC..Hα-helixtrans-61.3-48175.9176.70000111.1L25 V26 A31 L32 W33L25-S29 WeakPolarHBondContact O-CB 3.17Å; L25-S29 PolarHBondContact O-N 3.29Å; V26-S29 PolarHBondContact O-N 3.48Å; S29-A31 VanDerWaalsContact C-N 3.29Å; S29-A31 PolarHBondContact O-N 3.44Å; S29-L32 WeakPolarHBondContact O-CA 3.49Å; S29-L32 VanDerWaalsContact O-CB 3.32Å; S29-L32 WeakPolarHBondContact O-CB 3.23Å; S29-L32 PolarHBondContact O-N 2.98Å; S29-W33 VanDerWaalsContact O-CD1 3.25Å; S29-W33 PolarHBondContact O-N 2.94Å
30R95.6Very high95.3Very high84 Ų8439.8 Ų39.832%0.31723%0.226SC..Hα-helixtrans-59.3-38.7177-72.6176.3176.7-175.7-3.3112.8V26 W33 G34 D339 Y352V26-R30 HydrophobicContact CG1-CG 4.45Å; V26-R30 WeakPolarHBondContact O-CB 3.31Å; V26-R30 WeakPolarHBondContact O-CG 3.37Å; V26-R30 PolarHBondContact O-N 2.97Å; R30-W33 PolarHBondContact O-N 3.35Å; R30-G34 PolarHBondContact O-N 2.94Å; R30-D339 IonicContact CZ-OD1 2.66Å; R30-D339 IonicContact CZ-OD2 3.14Å; R30-D339 IonicContact NE-OD1 3.86Å; R30-D339 IonicContact NE-OD2 3.87Å; R30-D339 PolarHBondContact NE-OD2 3.13Å; R30-D339 VanDerWaalsContact NE-OD2 3.12Å; R30-D339 VanDerWaalsContact NH2-CG 3.26Å; R30-D339 IonicContact NH2-OD1 3.38Å; R30-D339 PolarHBondContact NH2-OD1 3.02Å; R30-D339 IonicContact NH2-OD2 2.64Å; R30-D339 PolarHBondContact NH2-OD2 3.45Å; R30-Y352 HydrophobicContact CG-CE2 4.37Å
31A97Very high95.2Very high3 Ų339.9 Ų39.93%0.02523%0.23CC..Hα-helixtrans-64.6-42.9173.700000112.4W14 C17 L18 D27 R28 S29 G34 L35W14-A31 HydrophobicContact CB-CB 3.97Å; W14-A31 HydrophobicContact CG-CB 4.39Å; W14-A31 WeakPolarHBondContact O-CB 3.48Å; C17-A31 HydrophobicContact CB-CB 3.85Å; L18-A31 HydrophobicContact CB-CB 4.43Å; D27-A31 WeakPolarHBondContact O-CB 3.49Å; D27-A31 PolarHBondContact O-N 3.32Å; R28-A31 PolarHBondContact O-N 3.1Å; S29-A31 VanDerWaalsContact C-N 3.29Å; S29-A31 PolarHBondContact O-N 3.44Å; A31-G34 PolarHBondContact O-N 3.29Å; A31-L35 WeakPolarHBondContact O-CG 3.42Å; A31-L35 PolarHBondContact O-N 2.68Å
32L97.6Very high95.3Very high0 Ų037.9 Ų37.90%022%0.216CC..Hα-helixtrans-57.6-50.2173.9-178.1162.6000111.2L18 R28 S29 G34 L35 R36 L47 F50 L65 E68 A69L18-L32 HydrophobicContact CD1-CB 4.05Å; L18-L32 HydrophobicContact CD1-CD1 4.37Å; L18-L32 HydrophobicContact CD2-CB 4.37Å; R28-L32 PolarHBondContact O-N 3.13Å; S29-L32 WeakPolarHBondContact O-CA 3.49Å; S29-L32 VanDerWaalsContact O-CB 3.32Å; S29-L32 WeakPolarHBondContact O-CB 3.23Å; S29-L32 PolarHBondContact O-N 2.98Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 3.41Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.95Å; L32-L35 VanDerWaalsContact O-N 3.15Å; L32-R36 PolarHBondContact O-N 3.44Å; L32-L47 HydrophobicContact CD2-CD2 4.44Å; L32-L47 HydrophobicContact CG-CD2 3.89Å; L32-F50 HydrophobicContact CD1-CE1 4.49Å; L32-L65 HydrophobicContact CD1-CB 4.15Å; L32-L65 HydrophobicContact CD1-CD2 4.46Å; L32-L65 WeakPolarHBondContact CD1-O 3.46Å; L32-E68 HydrophobicContact CD1-CB 4.03Å; L32-E68 HydrophobicContact CD2-CB 4.24Å; L32-A69 HydrophobicContact CD1-CB 3.92Å; L32-A69 HydrophobicContact CG-CB 4.43Å
33W93.7Very high95.3Very high48 Ų4832.6 Ų32.618%0.18218%0.179CC..Hα-helixtrans-66.5-30.2178.5-75.998.2000112.5S29 R30 R36 H37 E68 Y71 A353S29-W33 VanDerWaalsContact O-CD1 3.25Å; S29-W33 PolarHBondContact O-N 2.94Å; R30-W33 PolarHBondContact O-N 3.35Å; W33-R36 HydrophobicContact CE3-CG 4.48Å; W33-R36 WeakPolarHBondContact O-CB 3.35Å; W33-R36 PolarHBondContact O-N 3.27Å; W33-H37 AromaticContact CE3-CE1 3.74Å; W33-H37 PolarHBondContact O-N 3.43Å; W33-H37 PolarHBondContact O-ND1 3.31Å; W33-E68 PolarHBondContact NE1-OE2 3.34Å; W33-Y71 HydrophobicContact CH2-CE1 4.36Å; W33-A353 HydrophobicContact CB-CB 3.88Å
34G92.8Very high95.3Very high1 Ų131.8 Ų31.81%0.0117%0.172CC..Hα-helixtrans-60.1-49.1169.400000111.7W14 R30 A31 L32 R36 H37 A38W14-G34 VanDerWaalsContact CE3-C 3.44Å; W14-G34 VanDerWaalsContact CZ3-O 3.26Å; W14-G34 WeakPolarHBondContact CZ3-O 3.42Å; R30-G34 PolarHBondContact O-N 2.94Å; A31-G34 PolarHBondContact O-N 3.29Å; L32-G34 VanDerWaalsContact C-N 3.29Å; L32-G34 PolarHBondContact O-N 3.41Å; G34-R36 VanDerWaalsContact C-N 3.32Å; G34-R36 PolarHBondContact O-N 3.46Å; G34-H37 PolarHBondContact O-N 3.4Å; G34-A38 PolarHBondContact O-N 2.9Å
35L95.6Very high95.3Very high0 Ų032.9 Ų32.90%017%0.172CC..Hα-helixtrans-62.6-37.7176.5-64.8167.6000112.2L11 W14 L18 A31 L32 H37 A38 A43 L46 L47 R76L11-L35 HydrophobicContact CD2-CD2 4.04Å; W14-L35 HydrophobicContact CB-CD1 4.41Å; W14-L35 HydrophobicContact CB-CD2 4.08Å; W14-L35 HydrophobicContact CB-CG 3.97Å; W14-L35 HydrophobicContact CE3-CD2 4.15Å; W14-L35 HydrophobicContact CE3-CG 4.32Å; L18-L35 HydrophobicContact CD2-CD1 3.95Å; A31-L35 WeakPolarHBondContact O-CG 3.42Å; A31-L35 PolarHBondContact O-N 2.68Å; L32-L35 WeakPolarHBondContact O-CB 3.43Å; L32-L35 PolarHBondContact O-N 2.95Å; L32-L35 VanDerWaalsContact O-N 3.15Å; L35-H37 VanDerWaalsContact C-N 3.33Å; L35-H37 PolarHBondContact O-N 3.24Å; L35-A38 PolarHBondContact O-N 3.13Å; L35-A43 HydrophobicContact CB-CB 4.37Å; L35-A43 HydrophobicContact CD2-CB 4.17Å; L35-A43 VanDerWaalsContact O-CB 3.28Å; L35-A43 WeakPolarHBondContact O-CB 3.49Å; L35-L46 HydrophobicContact CD1-CB 4.02Å; L35-L46 HydrophobicContact CD2-CB 4.13Å; L35-L46 HydrophobicContact CD2-CD1 3.67Å; L35-L47 HydrophobicContact CB-CD1 4.12Å; L35-L47 HydrophobicContact CB-CD2 4.02Å; L35-L47 HydrophobicContact CB-CG 3.85Å; L35-L47 HydrophobicContact CD1-CD2 4.27Å; L35-L47 HydrophobicContact CD1-CG 4.38Å; L35-R76 PolarHBondContact O-NH1 3.09Å
36R93.3Very high95.4Very high27 Ų2732.4 Ų32.410%0.10217%0.169CC..Hα-helixtrans-55.9-47.8176.2-178.1-165.7-175.9-104.31.2111.8L32 W33 G34 C72 R76 N173L32-R36 PolarHBondContact O-N 3.44Å; W33-R36 HydrophobicContact CE3-CG 4.48Å; W33-R36 WeakPolarHBondContact O-CB 3.35Å; W33-R36 PolarHBondContact O-N 3.27Å; G34-R36 VanDerWaalsContact C-N 3.32Å; G34-R36 PolarHBondContact O-N 3.46Å; R36-C72 HydrophobicContact CB-CB 4.14Å; R36-C72 WeakPolarHBondContact CD-SG 3.46Å; R36-C72 HydrophobicContact CG-CB 3.89Å; R36-C72 VanDerWaalsContact CG-SG 3.51Å; R36-R76 PolarHBondContact O-NH1 3.1Å; R36-N173 PolarHBondContact NH2-O 2.97Å
37H87.9Confident95.4Very high66 Ų6631.2 Ų31.231%0.30616%0.162SC..Hα-helixtrans-82.5-14.9-173.3-63.7112.9000114W33 G34 L35W33-H37 AromaticContact CE3-CE1 3.74Å; W33-H37 PolarHBondContact O-N 3.43Å; W33-H37 PolarHBondContact O-ND1 3.31Å; G34-H37 PolarHBondContact O-N 3.4Å; L35-H37 VanDerWaalsContact C-N 3.33Å; L35-H37 PolarHBondContact O-N 3.24Å
38A91.6Very high95.5Very high1 Ų127.8 Ų27.81%0.00814%0.143CC..  trans-70.5129.5173.800000111.8V6 L11 W14 G34 L35 E40 A43 R76V6-A38 HydrophobicContact CB-CB 4.32Å; V6-A38 HydrophobicContact CG2-CB 3.91Å; L11-A38 HydrophobicContact CD2-CB 3.53Å; W14-A38 HydrophobicContact CZ3-CB 4.35Å; G34-A38 PolarHBondContact O-N 2.9Å; L35-A38 PolarHBondContact O-N 3.13Å; A38-E40 VanDerWaalsContact C-N 3.25Å; A38-E40 WeakPolarHBondContact CB-OE2 3.39Å; A38-E40 PolarHBondContact O-N 3.12Å; A38-A43 HydrophobicContact CB-CB 3.66Å; A38-R76 PolarHBondContact O-NH1 3.37Å; A38-R76 PolarHBondContact O-NH2 3.31Å; A38-R76 VanDerWaalsContact O-NH2 3.15Å
39A89.6Confident95.4Very high73 Ų7329.3 Ų29.360%0.60315%0.153SC*.  trans-78.3-12.7-17900000113
40E94.5Very high95.5Very high39 Ų3929.2 Ų29.218%0.18215%0.152CC..SBendtrans-69.4140.4-171.2-68.772-162.200112P5 V6 L11 A38 L42 A43 R76P5-E40 VanDerWaalsContact CA-OE1 3.29Å; P5-E40 WeakPolarHBondContact CA-OE1 3.29Å; V6-E40 PolarHBondContact N-OE1 3.29Å; L11-E40 HydrophobicContact CD1-CB 3.57Å; L11-E40 HydrophobicContact CD1-CG 3.89Å; A38-E40 VanDerWaalsContact C-N 3.25Å; A38-E40 WeakPolarHBondContact CB-OE2 3.39Å; A38-E40 PolarHBondContact O-N 3.12Å; E40-L42 PolarHBondContact O-N 3.22Å; E40-A43 VanDerWaalsContact O-CB 3.32Å; E40-A43 WeakPolarHBondContact O-CB 3.5Å; E40-A43 PolarHBondContact O-N 3.07Å; E40-R76 PolarHBondContact O-NH2 3.38Å
41P95.5Very high95.6Very high70 Ų7025.3 Ų25.346%0.45514%0.137SC..Hα-helixtrans-55.6-34.3177.1-27.835.3000113.8A43 L44 E45P41-A43 PolarHBondContact O-N 2.88Å; P41-L44 WeakPolarHBondContact O-CB 3.49Å; P41-L44 PolarHBondContact O-N 3.49Å; P41-L44 VanDerWaalsContact O-N 3.16Å; P41-E45 PolarHBondContact O-N 3.01Å; P41-E45 VanDerWaalsContact O-N 3.07Å
42L97.4Very high95.5Very high25 Ų2525.6 Ų25.613%0.13114%0.139CC..Hα-helixtrans-60.2-31.6177178.461.4000112.3E8 L11 R12 E40 E45 L46E8-L42 HydrophobicContact CG-CD2 3.7Å; L11-L42 HydrophobicContact CB-CD2 4.01Å; L11-L42 HydrophobicContact CB-CG 4.41Å; L11-L42 HydrophobicContact CD1-CB 4.14Å; L11-L42 HydrophobicContact CD1-CD2 4.19Å; L11-L42 HydrophobicContact CD1-CG 4.41Å; R12-L42 HydrophobicContact CG-CD2 4.1Å; E40-L42 PolarHBondContact O-N 3.22Å; L42-E45 PolarHBondContact O-N 3.44Å; L42-L46 HydrophobicContact CD1-CD1 4.22Å; L42-L46 HydrophobicContact CD1-CG 4.05Å; L42-L46 HydrophobicContact CG-CD1 3.95Å; L42-L46 HydrophobicContact CG-CG 4.26Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 VanDerWaalsContact O-CG 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.2Å; L42-L46 PolarHBondContact O-N 2.95Å
43A96.9Very high95.4Very high0 Ų030.6 Ų30.60%017%0.166CC..Hα-helixtrans-66.4-40.6178.600000111.6L11 L35 A38 E40 P41 L46 L47L11-A43 HydrophobicContact CD2-CB 3.94Å; L35-A43 HydrophobicContact CB-CB 4.37Å; L35-A43 HydrophobicContact CD2-CB 4.17Å; L35-A43 VanDerWaalsContact O-CB 3.28Å; L35-A43 WeakPolarHBondContact O-CB 3.49Å; A38-A43 HydrophobicContact CB-CB 3.66Å; E40-A43 VanDerWaalsContact O-CB 3.32Å; E40-A43 WeakPolarHBondContact O-CB 3.5Å; E40-A43 PolarHBondContact O-N 3.07Å; P41-A43 PolarHBondContact O-N 2.88Å; A43-L46 PolarHBondContact O-N 3.47Å; A43-L47 WeakPolarHBondContact O-CG 3.26Å; A43-L47 PolarHBondContact O-N 3.44Å; A43-L47 VanDerWaalsContact O-N 3.08Å
44L97.4Very high95.5Very high4 Ų430.9 Ų30.92%0.02117%0.168CC..Hα-helixtrans-61.5-46.8171.8179.5155.6000110.9P41 L46 L47 A48 L73 D78 K80 A81 Y84P41-L44 WeakPolarHBondContact O-CB 3.49Å; P41-L44 PolarHBondContact O-N 3.49Å; P41-L44 VanDerWaalsContact O-N 3.16Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.41Å; L44-L47 PolarHBondContact O-N 2.87Å; L44-A48 WeakPolarHBondContact O-CB 3.27Å; L44-A48 PolarHBondContact O-N 3.07Å; L44-L73 HydrophobicContact CG-CD2 3.86Å; L44-D78 HydrophobicContact CD1-CB 3.66Å; L44-K80 HydrophobicContact CD1-CB 4.21Å; L44-K80 HydrophobicContact CD2-CB 4.46Å; L44-A81 HydrophobicContact CD1-CB 4.07Å; L44-A81 HydrophobicContact CG-CB 4.49Å; L44-Y84 HydrophobicContact CD2-CD2 4.35Å; L44-Y84 HydrophobicContact CD2-CE2 4.1Å
45E98.1Very high95.6Very high100 Ų10032 Ų3247%0.46717%0.174SC..Hα-helixtrans-60.2-41.4180-70.1173.3-170.600111.9P41 L42 A48 D49P41-E45 PolarHBondContact O-N 3.01Å; P41-E45 VanDerWaalsContact O-N 3.07Å; L42-E45 PolarHBondContact O-N 3.44Å; E45-A48 PolarHBondContact O-N 3.48Å; E45-D49 VanDerWaalsContact O-CB 3.29Å; E45-D49 WeakPolarHBondContact O-CB 3.26Å; E45-D49 PolarHBondContact O-N 2.8Å
46L98.4Very high95.4Very high25 Ų2537 Ų3713%0.13120%0.196CC..Hα-helixtrans-68.5-40.4178.4-69.8170.1000112.8L11 L35 L42 A43 L44 F50L11-L46 HydrophobicContact CB-CD1 4.28Å; L11-L46 WeakPolarHBondContact O-CD1 3.39Å; L35-L46 HydrophobicContact CD1-CB 4.02Å; L35-L46 HydrophobicContact CD2-CB 4.13Å; L35-L46 HydrophobicContact CD2-CD1 3.67Å; L42-L46 HydrophobicContact CD1-CD1 4.22Å; L42-L46 HydrophobicContact CD1-CG 4.05Å; L42-L46 HydrophobicContact CG-CD1 3.95Å; L42-L46 HydrophobicContact CG-CG 4.26Å; L42-L46 WeakPolarHBondContact O-CB 3.22Å; L42-L46 VanDerWaalsContact O-CG 3.26Å; L42-L46 WeakPolarHBondContact O-CG 3.2Å; L42-L46 PolarHBondContact O-N 2.95Å; A43-L46 PolarHBondContact O-N 3.47Å; L44-L46 VanDerWaalsContact C-N 3.32Å; L44-L46 PolarHBondContact O-N 3.41Å; L46-F50 PolarHBondContact O-N 3.3Å
47L98.3Very high95.5Very high0 Ų042.1 Ų42.10%023%0.233CC..Hα-helixtrans-63.5-46.1172.8-73.2169.4000111L18 L32 L35 A43 L44 D49 F50 V51 A69 C72 L73L18-L47 HydrophobicContact CD2-CD2 4.49Å; L32-L47 HydrophobicContact CD2-CD2 4.44Å; L32-L47 HydrophobicContact CG-CD2 3.89Å; L35-L47 HydrophobicContact CB-CD1 4.12Å; L35-L47 HydrophobicContact CB-CD2 4.02Å; L35-L47 HydrophobicContact CB-CG 3.85Å; L35-L47 HydrophobicContact CD1-CD2 4.27Å; L35-L47 HydrophobicContact CD1-CG 4.38Å; A43-L47 WeakPolarHBondContact O-CG 3.26Å; A43-L47 PolarHBondContact O-N 3.44Å; A43-L47 VanDerWaalsContact O-N 3.08Å; L44-L47 PolarHBondContact O-N 2.87Å; L47-D49 PolarHBondContact O-N 3.34Å; L47-F50 PolarHBondContact O-N 3.4Å; L47-V51 WeakPolarHBondContact O-CG2 3.45Å; L47-V51 PolarHBondContact O-N 3.29Å; L47-V51 VanDerWaalsContact O-N 3.1Å; L47-A69 HydrophobicContact CD2-CB 4.13Å; L47-C72 HydrophobicContact CD1-CB 4.08Å; L47-L73 HydrophobicContact CB-CD2 3.94Å; L47-L73 HydrophobicContact CB-CG 4.19Å
48A98.1Very high95.9Very high0 Ų040.6 Ų40.60%023%0.23CC..Hα-helixtrans-63-41.1179.900000112.9L44 E45 V51 C52 L73 Y84L44-A48 WeakPolarHBondContact O-CB 3.27Å; L44-A48 PolarHBondContact O-N 3.07Å; E45-A48 PolarHBondContact O-N 3.48Å; A48-V51 PolarHBondContact O-N 2.65Å; A48-C52 WeakPolarHBondContact O-CB 3.42Å; A48-C52 PolarHBondContact O-N 3.15Å; A48-C52 PolarHBondContact O-SG 3.31Å; A48-L73 HydrophobicContact CB-CD1 4.31Å; A48-L73 HydrophobicContact CB-CD2 4.29Å; A48-Y84 HydrophobicContact CB-CD1 3.69Å; A48-Y84 HydrophobicContact CB-CD2 3.66Å; A48-Y84 HydrophobicContact CB-CE1 4.08Å; A48-Y84 HydrophobicContact CB-CE2 4.05Å; A48-Y84 HydrophobicContact CB-CG 3.45Å; A48-Y84 VanDerWaalsContact CB-CG 3.45Å
49D97.5Very high96.1Very high48 Ų4845.2 Ų45.226%0.25726%0.259SS..Hα-helixtrans-60.5-45.2174.9-174.456.3000111.2E45 L47 V51 C52 N53 Y54E45-D49 VanDerWaalsContact O-CB 3.29Å; E45-D49 WeakPolarHBondContact O-CB 3.26Å; E45-D49 PolarHBondContact O-N 2.8Å; L47-D49 PolarHBondContact O-N 3.34Å; D49-V51 PolarHBondContact O-N 3.16Å; D49-C52 PolarHBondContact O-N 3.31Å; D49-N53 WeakPolarHBondContact O-CB 3.41Å; D49-N53 PolarHBondContact O-N 3.29Å; D49-N53 PolarHBondContact OD1-ND2 3.31Å; D49-Y54 WeakPolarHBondContact O-CD2 3.5Å
50F98.3Very high96.5Very high0 Ų042.9 Ų42.90%024%0.237CC..Hα-helixtrans-59.5-44.3176.7176.4-127.8000112.8L18 L19 L32 L46 L47 Y54 I60 L65 Q66 A69L18-F50 HydrophobicContact CD1-CD1 3.88Å; L18-F50 HydrophobicContact CD1-CE1 3.75Å; L18-F50 HydrophobicContact CD1-CG 4.31Å; L18-F50 HydrophobicContact CD1-CZ 4.09Å; L18-F50 HydrophobicContact CD2-CB 3.91Å; L18-F50 HydrophobicContact CD2-CD1 3.73Å; L18-F50 HydrophobicContact CD2-CE1 4.44Å; L18-F50 HydrophobicContact CD2-CG 3.87Å; L18-F50 HydrophobicContact CG-CB 4.34Å; L18-F50 HydrophobicContact CG-CD1 3.9Å; L18-F50 HydrophobicContact CG-CD2 4.29Å; L18-F50 HydrophobicContact CG-CE1 4.25Å; L18-F50 HydrophobicContact CG-CG 3.91Å; L19-F50 HydrophobicContact CD2-CB 4Å; L19-F50 HydrophobicContact CD2-CD2 3.66Å; L19-F50 HydrophobicContact CD2-CG 4.21Å; L32-F50 HydrophobicContact CD1-CE1 4.49Å; L46-F50 PolarHBondContact O-N 3.3Å; L47-F50 PolarHBondContact O-N 3.4Å; F50-Y54 HydrophobicContact CD2-CD2 4.39Å; F50-I60 HydrophobicContact CD2-CG2 4.08Å; F50-I60 HydrophobicContact CE2-CG2 3.88Å; F50-L65 HydrophobicContact CE1-CB 3.7Å; F50-L65 HydrophobicContact CZ-CB 3.81Å; F50-Q66 HydrophobicContact CD1-CG 4.21Å; F50-Q66 HydrophobicContact CE1-CB 4.44Å; F50-Q66 HydrophobicContact CE1-CG 3.63Å; F50-Q66 HydrophobicContact CE2-CG 3.96Å; F50-Q66 HydrophobicContact CZ-CG 3.49Å; F50-Q66 VanDerWaalsContact CZ-CG 3.49Å; F50-Q66 PolarHBondContact O-NE2 3.32Å; F50-A69 HydrophobicContact CD1-CB 3.92Å; F50-A69 HydrophobicContact CE1-CB 4.37Å
51V97.8Very high96.6Very high1 Ų142 Ų421%0.00624%0.235CC..Hα-helixtrans-65.9-50.8177.9177.40000110.7L47 A48 D49 A69 L73 A88 H94 I98L47-V51 WeakPolarHBondContact O-CG2 3.45Å; L47-V51 PolarHBondContact O-N 3.29Å; L47-V51 VanDerWaalsContact O-N 3.1Å; A48-V51 PolarHBondContact O-N 2.65Å; D49-V51 PolarHBondContact O-N 3.16Å; V51-A69 HydrophobicContact CG2-CB 3.46Å; V51-A69 VanDerWaalsContact CG2-CB 3.46Å; V51-L73 HydrophobicContact CG2-CD1 4.22Å; V51-A88 HydrophobicContact CG1-CB 3.64Å; V51-H94 PolarHBondContact O-CE1 2.99Å; V51-H94 PolarHBondContact O-NE2 3.46Å; V51-I98 HydrophobicContact CG1-CG2 4.39Å
52C95.6Very high96.7Very high10 Ų1039.4 Ų39.47%0.06822%0.218CC..Hα-helixtrans-81.6-36.2-166.7-60.60000114.2A48 D49 Y84A48-C52 WeakPolarHBondContact O-CB 3.42Å; A48-C52 PolarHBondContact O-N 3.15Å; A48-C52 PolarHBondContact O-SG 3.31Å; D49-C52 PolarHBondContact O-N 3.31Å; C52-Y84 PolarHBondContact SG-O 2.96Å; C52-Y84 VanDerWaalsContact SG-O 3.4Å
53N95.4Very high96.7Very high105 Ų10539.7 Ų39.756%0.56122%0.22SC*.Hα-helixtrans-102.9-9.3-163.9-66.8-41.9000114.4D49D49-N53 WeakPolarHBondContact O-CB 3.41Å; D49-N53 PolarHBondContact O-N 3.29Å; D49-N53 PolarHBondContact OD1-ND2 3.31Å
54Y95.7Very high96.8Very high54 Ų5439.7 Ų39.721%0.21222%0.22CC..  trans-117.567.9-175.6-59.5-84.6000112L19 D49 F50 I60 A61 Q66L19-Y54 HydrophobicContact CD1-CE2 4.02Å; L19-Y54 HydrophobicContact CD2-CD2 3.65Å; L19-Y54 HydrophobicContact CD2-CE1 4.37Å; L19-Y54 HydrophobicContact CD2-CE2 3.35Å; L19-Y54 HydrophobicContact CD2-CG 4.25Å; L19-Y54 HydrophobicContact CG-CE2 4.29Å; D49-Y54 WeakPolarHBondContact O-CD2 3.5Å; F50-Y54 HydrophobicContact CD2-CD2 4.39Å; Y54-I60 HydrophobicContact CD1-CB 3.7Å; Y54-I60 HydrophobicContact CD1-CD1 3.45Å; Y54-I60 VanDerWaalsContact CD1-CD1 3.45Å; Y54-I60 HydrophobicContact CD1-CG1 4.15Å; Y54-I60 HydrophobicContact CD1-CG2 3.64Å; Y54-I60 HydrophobicContact CD2-CG2 4.39Å; Y54-I60 HydrophobicContact CE1-CB 4.48Å; Y54-I60 HydrophobicContact CE1-CD1 3.37Å; Y54-I60 HydrophobicContact CE1-CG1 4.5Å; Y54-I60 HydrophobicContact CE1-CG2 4.32Å; Y54-I60 HydrophobicContact CG-CB 4.11Å; Y54-I60 HydrophobicContact CG-CG2 3.65Å; Y54-A61 WeakPolarHBondContact O-CA 3.34Å; Y54-A61 WeakPolarHBondContact O-CB 3.47Å; Y54-Q66 PolarHBondContact O-NE2 3.48Å
55V94Very high96.8Very high24 Ų2439.5 Ų39.515%0.14522%0.219CC..  trans-92.7160.5175-63.40000112.4S58 N91 K93 H94V55-S58 WeakPolarHBondContact O-CB 3.37Å; V55-S58 PolarHBondContact O-N 3.22Å; V55-N91 WeakPolarHBondContact CG1-ND2 3.19Å; V55-K93 HydrophobicContact CB-CB 4.12Å; V55-K93 HydrophobicContact CG1-CB 4.42Å; V55-K93 HydrophobicContact CG2-CB 4.2Å; V55-K93 HydrophobicContact CG2-CD 3.7Å; V55-H94 VanDerWaalsContact CG1-CE1 3.46Å; V55-H94 WeakPolarHBondContact CG1-CE1 3.44Å
56K93.1Very high96.8Very high104 Ų10434.8 Ų34.845%0.45220%0.197SC..THydrogen-bonded Turntrans-53.5139.3174.8-69.7175.2-175.4165.20110.4A61 D63K56-A61 HydrophobicContact CG-CB 4.1Å; K56-D63 VanDerWaalsContact CE-OD1 3.27Å; K56-D63 WeakPolarHBondContact CE-OD1 3.48Å; K56-D63 VanDerWaalsContact NZ-CG 3.32Å; K56-D63 IonicContact NZ-OD1 2.63Å; K56-D63 PolarHBondContact NZ-OD1 2.97Å; K56-D63 VanDerWaalsContact NZ-OD1 3.14Å; K56-D63 IonicContact NZ-OD2 3.18Å; K56-D63 PolarHBondContact NZ-OD2 2.63Å
57P94.8Very high96.8Very high136 Ų13634 Ų3488%0.88319%0.192SC*.THydrogen-bonded Turncis-92.822.51138.5-37.6000114.8
58S96.2Very high96.8Very high34 Ų3434.4 Ų34.424%0.23819%0.194CC..  trans-55.2134.5176.4179.20000111.3V55 I60 A61V55-S58 WeakPolarHBondContact O-CB 3.37Å; V55-S58 PolarHBondContact O-N 3.22Å; S58-I60 PolarHBondContact O-N 3.25Å; S58-I60 PolarHBondContact OG-N 3.46Å; S58-A61 VanDerWaalsContact O-CB 3.28Å; S58-A61 WeakPolarHBondContact O-CB 3.44Å; S58-A61 PolarHBondContact O-N 3.41Å; S58-A61 VanDerWaalsContact O-N 3.11Å
59P95.8Very high96.8Very high98 Ų9834.4 Ų34.464%0.63619%0.194SC*.THydrogen-bonded Turntrans-68.2-12.4174.730.5-36.3000112.8P21P21-P59 HydrophobicContact CB-CB 3.99Å; P21-P59 HydrophobicContact CB-CG 4.35Å; P21-P59 HydrophobicContact CG-CG 4.42Å
60I96.9Very high96.9Very high24 Ų2432.1 Ų32.112%0.12318%0.182CC..THydrogen-bonded Turntrans-81-27.7175.3-62.9167.3000110.5L19 P21 R28 F50 Y54 S58 N62L19-I60 HydrophobicContact CD2-CG2 3.89Å; L19-I60 VanDerWaalsContact O-CD1 3.23Å; L19-I60 WeakPolarHBondContact O-CD1 3.11Å; L19-I60 WeakPolarHBondContact O-CG1 3.4Å; P21-I60 HydrophobicContact CB-CG1 4.42Å; P21-I60 HydrophobicContact CG-CG1 4.38Å; R28-I60 PolarHBondContact NH2-O 2.96Å; F50-I60 HydrophobicContact CD2-CG2 4.08Å; F50-I60 HydrophobicContact CE2-CG2 3.88Å; Y54-I60 HydrophobicContact CD1-CB 3.7Å; Y54-I60 HydrophobicContact CD1-CD1 3.45Å; Y54-I60 VanDerWaalsContact CD1-CD1 3.45Å; Y54-I60 HydrophobicContact CD1-CG1 4.15Å; Y54-I60 HydrophobicContact CD1-CG2 3.64Å; Y54-I60 HydrophobicContact CD2-CG2 4.39Å; Y54-I60 HydrophobicContact CE1-CB 4.48Å; Y54-I60 HydrophobicContact CE1-CD1 3.37Å; Y54-I60 HydrophobicContact CE1-CG1 4.5Å; Y54-I60 HydrophobicContact CE1-CG2 4.32Å; Y54-I60 HydrophobicContact CG-CB 4.11Å; Y54-I60 HydrophobicContact CG-CG2 3.65Å; S58-I60 PolarHBondContact O-N 3.25Å; S58-I60 PolarHBondContact OG-N 3.46Å; I60-N62 PolarHBondContact O-N 3.17Å
61A97.1Very high96.9Very high19 Ų1933.5 Ų33.516%0.15719%0.187CC..  trans-57.8129.6179.700000110.2Y54 K56 S58Y54-A61 WeakPolarHBondContact O-CA 3.34Å; Y54-A61 WeakPolarHBondContact O-CB 3.47Å; K56-A61 HydrophobicContact CG-CB 4.1Å; S58-A61 VanDerWaalsContact O-CB 3.28Å; S58-A61 WeakPolarHBondContact O-CB 3.44Å; S58-A61 PolarHBondContact O-N 3.41Å; S58-A61 VanDerWaalsContact O-N 3.11Å
62N97.8Very high96.9Very high16 Ų1633.5 Ų33.59%0.08619%0.187CC..  trans-148.2113.5178.3179.5-76000107.7I60 L64 L65 Q66 E332I60-N62 PolarHBondContact O-N 3.17Å; N62-L64 VanDerWaalsContact C-N 3.28Å; N62-L64 PolarHBondContact O-N 3.15Å; N62-L64 PolarHBondContact OD1-N 2.92Å; N62-L65 HydrophobicContact CB-CB 4.27Å; N62-L65 HydrophobicContact CB-CD1 4.44Å; N62-L65 HydrophobicContact CB-CG 4.42Å; N62-L65 PolarHBondContact O-N 3.28Å; N62-L65 WeakPolarHBondContact OD1-CG 3.3Å; N62-L65 PolarHBondContact OD1-N 3.27Å; N62-Q66 VanDerWaalsContact O-CB 3.26Å; N62-Q66 WeakPolarHBondContact O-CB 3.32Å; N62-Q66 VanDerWaalsContact O-CG 3.24Å; N62-Q66 WeakPolarHBondContact O-CG 3.43Å; N62-Q66 PolarHBondContact O-N 3.23Å; N62-Q66 PolarHBondContact O-OE1 2.94Å; N62-E332 PolarHBondContact ND2-OE2 3.46Å; N62-E332 PolarHBondContact OD1-OE2 3.06Å
63D97.6Very high97Very high32 Ų3233 Ų3317%0.17118%0.184CC..Hα-helixtrans-61.9-38.6-170.1-61-26000111.7K56 H67 V95 V329K56-D63 VanDerWaalsContact CE-OD1 3.27Å; K56-D63 WeakPolarHBondContact CE-OD1 3.48Å; K56-D63 VanDerWaalsContact NZ-CG 3.32Å; K56-D63 IonicContact NZ-OD1 2.63Å; K56-D63 PolarHBondContact NZ-OD1 2.97Å; K56-D63 VanDerWaalsContact NZ-OD1 3.14Å; K56-D63 IonicContact NZ-OD2 3.18Å; K56-D63 PolarHBondContact NZ-OD2 2.63Å; D63-H67 PolarHBondContact O-N 3.4Å; D63-H67 VanDerWaalsContact O-N 3.12Å; D63-V95 HydrophobicContact CB-CG2 3.84Å; D63-V329 HydrophobicContact CB-CG2 4.16Å
64L98.2Very high97.1Very high0 Ų028 Ų280%016%0.157CC..Hα-helixtrans-66.2-56.8177.9-175.967.4000111.2N62 Q66 H67 E68 V329 E332 S333 L336N62-L64 VanDerWaalsContact C-N 3.28Å; N62-L64 PolarHBondContact O-N 3.15Å; N62-L64 PolarHBondContact OD1-N 2.92Å; L64-Q66 VanDerWaalsContact C-N 3.25Å; L64-Q66 PolarHBondContact O-N 3.46Å; L64-H67 PolarHBondContact O-CE1 2.95Å; L64-H67 PolarHBondContact O-N 3.38Å; L64-H67 PolarHBondContact O-ND1 3.45Å; L64-E68 PolarHBondContact O-N 2.98Å; L64-E68 VanDerWaalsContact O-N 3.09Å; L64-V329 HydrophobicContact CB-CG2 4.18Å; L64-E332 HydrophobicContact CD2-CB 3.59Å; L64-S333 WeakPolarHBondContact CD1-OG 3.26Å; L64-S333 WeakPolarHBondContact CD2-OG 3.37Å; L64-L336 HydrophobicContact CD2-CD1 3.74Å
65L98.4Very high97Very high0 Ų026.3 Ų26.30%015%0.151CC..Hα-helixtrans-64.3-31.4-178.9-61.5-177.5000112.5L18 L25 R28 L32 F50 N62 A69 L336L18-L65 HydrophobicContact CD1-CD1 4.42Å; L25-L65 HydrophobicContact CD1-CD1 4.03Å; L25-L65 HydrophobicContact CD1-CD2 4.31Å; L25-L65 HydrophobicContact CD1-CG 4.07Å; R28-L65 HydrophobicContact CB-CD1 3.59Å; L32-L65 HydrophobicContact CD1-CB 4.15Å; L32-L65 HydrophobicContact CD1-CD2 4.46Å; L32-L65 WeakPolarHBondContact CD1-O 3.46Å; F50-L65 HydrophobicContact CE1-CB 3.7Å; F50-L65 HydrophobicContact CZ-CB 3.81Å; N62-L65 HydrophobicContact CB-CB 4.27Å; N62-L65 HydrophobicContact CB-CD1 4.44Å; N62-L65 HydrophobicContact CB-CG 4.42Å; N62-L65 PolarHBondContact O-N 3.28Å; N62-L65 WeakPolarHBondContact OD1-CG 3.3Å; N62-L65 PolarHBondContact OD1-N 3.27Å; L65-A69 WeakPolarHBondContact O-CB 3.3Å; L65-A69 PolarHBondContact O-N 2.91Å; L65-L336 HydrophobicContact CD2-CD1 4.17Å
66Q98.4Very high97Very high1 Ų127.7 Ų27.71%0.00515%0.154CC..Hα-helixtrans-73.6-34.6179.5-73.5180-64.400112.6F50 Y54 N62 L64 A69 A70 I98F50-Q66 HydrophobicContact CD1-CG 4.21Å; F50-Q66 HydrophobicContact CE1-CB 4.44Å; F50-Q66 HydrophobicContact CE1-CG 3.63Å; F50-Q66 HydrophobicContact CE2-CG 3.96Å; F50-Q66 HydrophobicContact CZ-CG 3.49Å; F50-Q66 VanDerWaalsContact CZ-CG 3.49Å; F50-Q66 PolarHBondContact O-NE2 3.32Å; Y54-Q66 PolarHBondContact O-NE2 3.48Å; N62-Q66 VanDerWaalsContact O-CB 3.26Å; N62-Q66 WeakPolarHBondContact O-CB 3.32Å; N62-Q66 VanDerWaalsContact O-CG 3.24Å; N62-Q66 WeakPolarHBondContact O-CG 3.43Å; N62-Q66 PolarHBondContact O-N 3.23Å; N62-Q66 PolarHBondContact O-OE1 2.94Å; L64-Q66 VanDerWaalsContact C-N 3.25Å; L64-Q66 PolarHBondContact O-N 3.46Å; Q66-A69 PolarHBondContact O-N 2.84Å; Q66-A70 PolarHBondContact O-N 3.22Å; Q66-A70 VanDerWaalsContact O-N 3.08Å; Q66-I98 HydrophobicContact CB-CD1 3.61Å; Q66-I98 HydrophobicContact CB-CG1 3.86Å; Q66-I98 HydrophobicContact CB-CG2 4.45Å; Q66-I98 HydrophobicContact CG-CD1 4.49Å
67H98.2Very high96.9Very high8 Ų824 Ų244%0.03715%0.145CC..Hα-helixtrans-66.9-45.8170.9101.9-74.5000109.8D63 L64 A69 A70 Y71 L97 I98 E101 H281D63-H67 PolarHBondContact O-N 3.4Å; D63-H67 VanDerWaalsContact O-N 3.12Å; L64-H67 PolarHBondContact O-CE1 2.95Å; L64-H67 PolarHBondContact O-N 3.38Å; L64-H67 PolarHBondContact O-ND1 3.45Å; H67-A69 VanDerWaalsContact C-N 3.26Å; H67-A69 PolarHBondContact O-N 3.31Å; H67-A70 WeakPolarHBondContact O-CA 3.09Å; H67-A70 WeakPolarHBondContact O-CB 3.46Å; H67-A70 PolarHBondContact O-N 3.34Å; H67-Y71 PolarHBondContact O-N 3.28Å; H67-L97 HydrophobicContact CB-CD2 3.91Å; H67-L97 HydrophobicContact CB-CG 3.77Å; H67-I98 HydrophobicContact CB-CG1 4.4Å; H67-E101 HydrophobicContact CB-CB 4.13Å; H67-E101 HydrophobicContact CB-CG 4.29Å; H67-E101 IonicContact CD2-OE2 3.51Å; H67-E101 WeakPolarHBondContact O-CG 3.29Å; H67-H281 AromaticContact NE2-CE1 3.74Å
68E98.2Very high96.9Very high8 Ų819.4 Ų19.44%0.03711%0.114CC..Hα-helixtrans-57.2-39175.4-80-168.6-147.300112.6L32 W33 L64 Y71 C72L32-E68 HydrophobicContact CD1-CB 4.03Å; L32-E68 HydrophobicContact CD2-CB 4.24Å; W33-E68 PolarHBondContact NE1-OE2 3.34Å; L64-E68 PolarHBondContact O-N 2.98Å; L64-E68 VanDerWaalsContact O-N 3.09Å; E68-Y71 WeakPolarHBondContact O-CB 3.44Å; E68-Y71 PolarHBondContact O-N 2.97Å; E68-C72 WeakPolarHBondContact O-CB 3.26Å; E68-C72 PolarHBondContact O-N 3.16Å; E68-C72 PolarHBondContact O-SG 2.81Å
69A98.5Very high96.9Very high0 Ų019.1 Ų19.10%011%0.111CC..Hα-helixtrans-66.9-38.4176.500000111.9L32 L47 F50 V51 L65 Q66 H67 C72 L73L32-A69 HydrophobicContact CD1-CB 3.92Å; L32-A69 HydrophobicContact CG-CB 4.43Å; L47-A69 HydrophobicContact CD2-CB 4.13Å; F50-A69 HydrophobicContact CD1-CB 3.92Å; F50-A69 HydrophobicContact CE1-CB 4.37Å; V51-A69 HydrophobicContact CG2-CB 3.46Å; V51-A69 VanDerWaalsContact CG2-CB 3.46Å; L65-A69 WeakPolarHBondContact O-CB 3.3Å; L65-A69 PolarHBondContact O-N 2.91Å; Q66-A69 PolarHBondContact O-N 2.84Å; H67-A69 VanDerWaalsContact C-N 3.26Å; H67-A69 PolarHBondContact O-N 3.31Å; A69-C72 WeakPolarHBondContact O-CB 3.23Å; A69-C72 PolarHBondContact O-N 2.87Å; A69-L73 VanDerWaalsContact O-CG 3.29Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-L73 PolarHBondContact O-N 3.43Å
70A98.6Very high97Very high0 Ų020.6 Ų20.60%011%0.107CC..Hα-helixtrans-64.5-43.717300000111.6Q66 H67 C72 L73 G74 L85 E101 A105Q66-A70 PolarHBondContact O-N 3.22Å; Q66-A70 VanDerWaalsContact O-N 3.08Å; H67-A70 WeakPolarHBondContact O-CA 3.09Å; H67-A70 WeakPolarHBondContact O-CB 3.46Å; H67-A70 PolarHBondContact O-N 3.34Å; A70-C72 VanDerWaalsContact C-N 3.35Å; A70-C72 PolarHBondContact O-N 3.01Å; A70-L73 WeakPolarHBondContact O-CB 3.09Å; A70-L73 PolarHBondContact O-N 3.11Å; A70-G74 PolarHBondContact O-N 3.33Å; A70-G74 VanDerWaalsContact O-N 3.14Å; A70-L85 HydrophobicContact CB-CD2 4.24Å; A70-E101 HydrophobicContact CB-CB 4.12Å; A70-E101 HydrophobicContact CB-CG 4.01Å; A70-A105 WeakPolarHBondContact O-CB 3.17Å
71Y98.3Very high97Very high30 Ų3019.5 Ų19.512%0.11810%0.101CC..Hα-helixtrans-54.7-52.4172.1171.5-101000110.1W33 H67 E68 L73 G74 Q75 E101 F252W33-Y71 HydrophobicContact CH2-CE1 4.36Å; H67-Y71 PolarHBondContact O-N 3.28Å; E68-Y71 WeakPolarHBondContact O-CB 3.44Å; E68-Y71 PolarHBondContact O-N 2.97Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.12Å; Y71-G74 PolarHBondContact O-N 2.88Å; Y71-Q75 HydrophobicContact CD1-CG 4Å; Y71-Q75 HydrophobicContact CD2-CG 3.88Å; Y71-Q75 HydrophobicContact CE1-CG 3.62Å; Y71-Q75 HydrophobicContact CE2-CG 3.5Å; Y71-Q75 HydrophobicContact CG-CG 4.11Å; Y71-Q75 WeakPolarHBondContact O-CG 3.34Å; Y71-Q75 PolarHBondContact O-N 3.1Å; Y71-E101 WeakPolarHBondContact CA-OE1 3.42Å; Y71-E101 VanDerWaalsContact CB-OE1 3.29Å; Y71-E101 WeakPolarHBondContact CB-OE1 3.28Å; Y71-E101 WeakPolarHBondContact CD2-OE1 3.45Å; Y71-F252 HydrophobicContact CE2-CE2 4.36Å; Y71-F252 HydrophobicContact CE2-CZ 4.26Å
72C97.4Very high97.1Very high0 Ų019 Ų190%010%0.097CC..Hα-helixtrans-55-43.8178.6-710000112.3R36 L47 E68 A69 A70 G74 Q75 R76R36-C72 HydrophobicContact CB-CB 4.14Å; R36-C72 WeakPolarHBondContact CD-SG 3.46Å; R36-C72 HydrophobicContact CG-CB 3.89Å; R36-C72 VanDerWaalsContact CG-SG 3.51Å; L47-C72 HydrophobicContact CD1-CB 4.08Å; E68-C72 WeakPolarHBondContact O-CB 3.26Å; E68-C72 PolarHBondContact O-N 3.16Å; E68-C72 PolarHBondContact O-SG 2.81Å; A69-C72 WeakPolarHBondContact O-CB 3.23Å; A69-C72 PolarHBondContact O-N 2.87Å; A70-C72 VanDerWaalsContact C-N 3.35Å; A70-C72 PolarHBondContact O-N 3.01Å; C72-G74 VanDerWaalsContact C-N 3.31Å; C72-G74 PolarHBondContact O-N 3.37Å; C72-Q75 PolarHBondContact O-N 3.24Å; C72-R76 WeakPolarHBondContact O-CB 3.37Å; C72-R76 WeakPolarHBondContact O-CG 3.48Å; C72-R76 PolarHBondContact O-N 3.06Å
73L97.8Very high97.1Very high0 Ų022.3 Ų22.30%012%0.119CC..Hα-helixtrans-60.8-39.1177.5-72.9168.9000112.5L44 L47 A48 V51 A69 A70 Y71 A81 L85L44-L73 HydrophobicContact CG-CD2 3.86Å; L47-L73 HydrophobicContact CB-CD2 3.94Å; L47-L73 HydrophobicContact CB-CG 4.19Å; A48-L73 HydrophobicContact CB-CD1 4.31Å; A48-L73 HydrophobicContact CB-CD2 4.29Å; V51-L73 HydrophobicContact CG2-CD1 4.22Å; A69-L73 VanDerWaalsContact O-CG 3.29Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-L73 PolarHBondContact O-N 3.43Å; A70-L73 WeakPolarHBondContact O-CB 3.09Å; A70-L73 PolarHBondContact O-N 3.11Å; Y71-L73 VanDerWaalsContact C-N 3.3Å; Y71-L73 PolarHBondContact O-N 3.12Å; L73-A81 HydrophobicContact CB-CB 4.1Å; L73-A81 HydrophobicContact CD2-CB 4.11Å; L73-L85 HydrophobicContact CB-CD1 4.31Å; L73-L85 HydrophobicContact CB-CD2 4Å; L73-L85 HydrophobicContact CB-CG 4.33Å; L73-L85 HydrophobicContact CD1-CD2 4.07Å
74G97.2Very high97.1Very high0 Ų025 Ų250%013%0.127CC..Hα-helixtrans-67.1-48.3174.300000112.8A70 Y71 C72 R76 G77 L109A70-G74 PolarHBondContact O-N 3.33Å; A70-G74 VanDerWaalsContact O-N 3.14Å; Y71-G74 PolarHBondContact O-N 2.88Å; C72-G74 VanDerWaalsContact C-N 3.31Å; C72-G74 PolarHBondContact O-N 3.37Å; G74-R76 VanDerWaalsContact C-N 3.28Å; G74-R76 PolarHBondContact O-N 3.21Å; G74-G77 PolarHBondContact O-N 3.17Å; G74-L109 WeakPolarHBondContact O-CD2 3.27Å
75Q95.1Very high97.1Very high18 Ų1825 Ų258%0.08413%0.127CC..Hα-helixtrans-70.4-21.6-175.5-61-48.5-35.600114.2Y71 C72 G77 I175Y71-Q75 HydrophobicContact CD1-CG 4Å; Y71-Q75 HydrophobicContact CD2-CG 3.88Å; Y71-Q75 HydrophobicContact CE1-CG 3.62Å; Y71-Q75 HydrophobicContact CE2-CG 3.5Å; Y71-Q75 HydrophobicContact CG-CG 4.11Å; Y71-Q75 WeakPolarHBondContact O-CG 3.34Å; Y71-Q75 PolarHBondContact O-N 3.1Å; C72-Q75 PolarHBondContact O-N 3.24Å; Q75-G77 PolarHBondContact O-N 3.48Å; Q75-I175 PolarHBondContact NE2-O 3.08Å
76R92.6Very high97.1Very high53 Ų5326.2 Ų26.220%0.213%0.133CC..THydrogen-bonded Turntrans-63.8-22.1174.3-79.3171.471.675.72.3113.7L35 R36 A38 E40 C72 G74 D78L35-R76 PolarHBondContact O-NH1 3.09Å; R36-R76 PolarHBondContact O-NH1 3.1Å; A38-R76 PolarHBondContact O-NH1 3.37Å; A38-R76 PolarHBondContact O-NH2 3.31Å; A38-R76 VanDerWaalsContact O-NH2 3.15Å; E40-R76 PolarHBondContact O-NH2 3.38Å; C72-R76 WeakPolarHBondContact O-CB 3.37Å; C72-R76 WeakPolarHBondContact O-CG 3.48Å; C72-R76 PolarHBondContact O-N 3.06Å; G74-R76 VanDerWaalsContact C-N 3.28Å; G74-R76 PolarHBondContact O-N 3.21Å; R76-D78 PolarHBondContact O-N 2.95Å
77G91.9Very high97.1Very high27 Ų2730 Ų3028%0.27815%0.154SC..THydrogen-bonded Turntrans67.819.517900000114.7G74 Q75 P79 C112G74-G77 PolarHBondContact O-N 3.17Å; Q75-G77 PolarHBondContact O-N 3.48Å; G77-P79 WeakPolarHBondContact O-CD 3.46Å; G77-C112 VanDerWaalsContact CA-SG 3.59Å; G77-C112 PolarHBondContact O-SG 3.01Å
78D95Very high97.1Very high40 Ų4029.7 Ų29.721%0.21415%0.152CC..  trans-100.6110.8177.6-174.5-16.2000110.5L44 R76 K80 A81L44-D78 HydrophobicContact CD1-CB 3.66Å; R76-D78 PolarHBondContact O-N 2.95Å; D78-K80 PolarHBondContact O-N 3.13Å; D78-K80 VanDerWaalsContact OD1-CB 3.27Å; D78-K80 WeakPolarHBondContact OD1-CB 3.33Å; D78-K80 VanDerWaalsContact OD1-CG 3.32Å; D78-K80 WeakPolarHBondContact OD1-CG 3.23Å; D78-K80 PolarHBondContact OD1-N 3.16Å; D78-A81 WeakPolarHBondContact O-CB 3.43Å; D78-A81 PolarHBondContact O-N 3.37Å
79P96.3Very high97.1Very high28 Ų2829.3 Ų29.318%0.18215%0.151CC..G310 helixtrans-58.1-15.9179.4-23.932.2000115.4G77 A81 V82 C112 D113 A115G77-P79 WeakPolarHBondContact O-CD 3.46Å; P79-A81 PolarHBondContact O-N 2.92Å; P79-A81 VanDerWaalsContact O-N 3.16Å; P79-V82 WeakPolarHBondContact O-CB 3.24Å; P79-V82 VanDerWaalsContact O-CG2 3.29Å; P79-V82 WeakPolarHBondContact O-CG2 3.44Å; P79-V82 PolarHBondContact O-N 3.17Å; P79-C112 HydrophobicContact CG-CB 4.06Å; P79-D113 VanDerWaalsContact CG-O 3.25Å; P79-D113 WeakPolarHBondContact CG-O 3.48Å; P79-A115 HydrophobicContact CB-CB 4.13Å; P79-A115 HydrophobicContact CG-CB 4.18Å
80K96.8Very high97Very high129 Ų12933.1 Ų33.156%0.56117%0.168SC*.G310 helixtrans-62-17.7172.8-68.1177179.5176.50113L44 D78 V82 P83 Y84L44-K80 HydrophobicContact CD1-CB 4.21Å; L44-K80 HydrophobicContact CD2-CB 4.46Å; D78-K80 PolarHBondContact O-N 3.13Å; D78-K80 VanDerWaalsContact OD1-CB 3.27Å; D78-K80 WeakPolarHBondContact OD1-CB 3.33Å; D78-K80 VanDerWaalsContact OD1-CG 3.32Å; D78-K80 WeakPolarHBondContact OD1-CG 3.23Å; D78-K80 PolarHBondContact OD1-N 3.16Å; K80-V82 VanDerWaalsContact C-N 3.3Å; K80-P83 WeakPolarHBondContact O-CD 3.41Å; K80-Y84 WeakPolarHBondContact O-CD2 3.21Å
81A97.6Very high96.9Very high0 Ų034.4 Ų34.40%018%0.175CC..G310 helixtrans-71.9-21.4173.300000113.4L44 L73 D78 P79 Y84 L85 L109L44-A81 HydrophobicContact CD1-CB 4.07Å; L44-A81 HydrophobicContact CG-CB 4.49Å; L73-A81 HydrophobicContact CB-CB 4.1Å; L73-A81 HydrophobicContact CD2-CB 4.11Å; D78-A81 WeakPolarHBondContact O-CB 3.43Å; D78-A81 PolarHBondContact O-N 3.37Å; P79-A81 PolarHBondContact O-N 2.92Å; P79-A81 VanDerWaalsContact O-N 3.16Å; A81-Y84 WeakPolarHBondContact O-CB 3.45Å; A81-Y84 PolarHBondContact O-N 3.31Å; A81-Y84 VanDerWaalsContact O-N 3.07Å; A81-L85 HydrophobicContact CB-CD1 4.1Å; A81-L85 PolarHBondContact O-N 3.43Å; A81-L109 HydrophobicContact CB-CD1 3.86Å
82V98.4Very high96.7Very high10 Ų1039.4 Ų39.46%0.06120%0.204CC..Hα-helixtrans-54.4-48.7-172.3171.50000113.2P79 K80 Y84 L85 L86 L106 L109 I120P79-V82 WeakPolarHBondContact O-CB 3.24Å; P79-V82 VanDerWaalsContact O-CG2 3.29Å; P79-V82 WeakPolarHBondContact O-CG2 3.44Å; P79-V82 PolarHBondContact O-N 3.17Å; K80-V82 VanDerWaalsContact C-N 3.3Å; V82-Y84 VanDerWaalsContact C-N 3.26Å; V82-Y84 PolarHBondContact O-N 2.95Å; V82-L85 PolarHBondContact O-N 3.06Å; V82-L86 HydrophobicContact CG1-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CG 4.27Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.39Å; V82-L106 HydrophobicContact CB-CD2 4.45Å; V82-L106 HydrophobicContact CG1-CD2 4.01Å; V82-L109 HydrophobicContact CG2-CB 4.34Å; V82-L109 HydrophobicContact CG2-CD1 3.91Å; V82-I120 HydrophobicContact CG1-CD1 4.48Å; V82-I120 HydrophobicContact CG1-CG1 4.06Å; V82-I120 HydrophobicContact CG2-CD1 4Å; V82-I120 HydrophobicContact CG2-CG1 4.43Å
83P97.8Very high96.6Very high84 Ų8445.6 Ų45.655%0.54523%0.231SC..Hα-helixtrans-60.6-34.4179.5-24.135.7000113.8K80 N87K80-P83 WeakPolarHBondContact O-CD 3.41Å; P83-N87 PolarHBondContact O-N 3.46Å; P83-N87 VanDerWaalsContact O-N 3.17Å
84Y98.2Very high96.5Very high88 Ų8846.2 Ų46.235%0.34523%0.234SC..Hα-helixtrans-74-42.3179.3-58.8-74.7000111.6L44 A48 C52 K80 A81 V82 L86 N87 A88L44-Y84 HydrophobicContact CD2-CD2 4.35Å; L44-Y84 HydrophobicContact CD2-CE2 4.1Å; A48-Y84 HydrophobicContact CB-CD1 3.69Å; A48-Y84 HydrophobicContact CB-CD2 3.66Å; A48-Y84 HydrophobicContact CB-CE1 4.08Å; A48-Y84 HydrophobicContact CB-CE2 4.05Å; A48-Y84 HydrophobicContact CB-CG 3.45Å; A48-Y84 VanDerWaalsContact CB-CG 3.45Å; C52-Y84 PolarHBondContact SG-O 2.96Å; C52-Y84 VanDerWaalsContact SG-O 3.4Å; K80-Y84 WeakPolarHBondContact O-CD2 3.21Å; A81-Y84 WeakPolarHBondContact O-CB 3.45Å; A81-Y84 PolarHBondContact O-N 3.31Å; A81-Y84 VanDerWaalsContact O-N 3.07Å; V82-Y84 VanDerWaalsContact C-N 3.26Å; V82-Y84 PolarHBondContact O-N 2.95Å; Y84-L86 VanDerWaalsContact C-N 3.33Å; Y84-L86 PolarHBondContact O-N 3.11Å; Y84-N87 WeakPolarHBondContact O-CB 3.47Å; Y84-N87 PolarHBondContact O-N 3.18Å; Y84-A88 PolarHBondContact O-N 3.28Å
85L98.6Very high96.5Very high0 Ų048.3 Ų48.30%025%0.247CC..Hα-helixtrans-67.1-35176.7-67.1168.6000112.1A70 L73 A81 V82 A88 L89 A102 A105 L106 L109A70-L85 HydrophobicContact CB-CD2 4.24Å; L73-L85 HydrophobicContact CB-CD1 4.31Å; L73-L85 HydrophobicContact CB-CD2 4Å; L73-L85 HydrophobicContact CB-CG 4.33Å; L73-L85 HydrophobicContact CD1-CD2 4.07Å; A81-L85 HydrophobicContact CB-CD1 4.1Å; A81-L85 PolarHBondContact O-N 3.43Å; V82-L85 PolarHBondContact O-N 3.06Å; L85-A88 PolarHBondContact O-N 2.97Å; L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 PolarHBondContact O-N 3.04Å; L85-A102 HydrophobicContact CD2-CB 4.38Å; L85-A105 HydrophobicContact CD1-CB 3.66Å; L85-A105 HydrophobicContact CD2-CB 3.8Å; L85-A105 HydrophobicContact CG-CB 4.36Å; L85-L106 HydrophobicContact CB-CD1 4.29Å; L85-L106 HydrophobicContact CB-CD2 3.72Å; L85-L106 HydrophobicContact CB-CG 3.71Å; L85-L106 HydrophobicContact CD1-CD2 4.43Å; L85-L106 HydrophobicContact CD1-CG 4.43Å; L85-L109 HydrophobicContact CD1-CD1 3.53Å
86L98.4Very high96.6Very high26 Ų2649.4 Ų49.414%0.13626%0.255CS..Hα-helixtrans-60.5-45.4170.1-70.3170.4000111.2V82 Y84 A88 L89 H90 L106 V119 A123V82-L86 HydrophobicContact CG1-CD1 3.89Å; V82-L86 HydrophobicContact CG1-CG 4.27Å; V82-L86 VanDerWaalsContact O-CG 3.28Å; V82-L86 WeakPolarHBondContact O-CG 3.4Å; V82-L86 PolarHBondContact O-N 3.39Å; Y84-L86 VanDerWaalsContact C-N 3.33Å; Y84-L86 PolarHBondContact O-N 3.11Å; L86-A88 PolarHBondContact O-N 3.08Å; L86-L89 PolarHBondContact O-N 3.31Å; L86-H90 WeakPolarHBondContact O-CB 3.44Å; L86-H90 PolarHBondContact O-N 3.12Å; L86-H90 PolarHBondContact O-ND1 2.99Å; L86-H90 VanDerWaalsContact O-ND1 3.08Å; L86-L106 HydrophobicContact CD2-CD1 3.9Å; L86-L106 HydrophobicContact CD2-CD2 4.11Å; L86-L106 HydrophobicContact CG-CD1 4.44Å; L86-L106 HydrophobicContact CG-CD2 4.04Å; L86-V119 HydrophobicContact CD1-CG1 3.65Å; L86-A123 HydrophobicContact CD2-CB 3.3Å
87N97.9Very high96.8Very high82 Ų8247.8 Ų47.844%0.43925%0.25SC..Hα-helixtrans-57.5-48.8175.1-173.2-42.2000111.3P83 Y84 L89 H90 N91P83-N87 PolarHBondContact O-N 3.46Å; P83-N87 VanDerWaalsContact O-N 3.17Å; Y84-N87 WeakPolarHBondContact O-CB 3.47Å; Y84-N87 PolarHBondContact O-N 3.18Å; N87-L89 PolarHBondContact O-N 2.87Å; N87-H90 PolarHBondContact O-N 3.46Å; N87-N91 VanDerWaalsContact O-CB 3.23Å; N87-N91 WeakPolarHBondContact O-CB 3.39Å; N87-N91 PolarHBondContact O-N 2.89Å
88A98Very high97.1Very high0 Ų046.5 Ų46.50%024%0.237CC..Hα-helixtrans-59.9-43.3178.200000112.7V51 Y84 L85 L86 N91 H94 A102V51-A88 HydrophobicContact CG1-CB 3.64Å; Y84-A88 PolarHBondContact O-N 3.28Å; L85-A88 PolarHBondContact O-N 2.97Å; L86-A88 PolarHBondContact O-N 3.08Å; A88-N91 PolarHBondContact O-N 3.45Å; A88-H94 PolarHBondContact O-CD2 2.91Å; A88-A102 HydrophobicContact CB-CB 3.86Å
89L98.2Very high97.2Very high0 Ų045.7 Ų45.70%023%0.23CC..Hα-helixtrans-61.5-43.6176.5173.758.1000112.4L85 L86 N87 R99 A102 A103 L106 A123 Y127 L135L85-L89 WeakPolarHBondContact O-CB 3.41Å; L85-L89 PolarHBondContact O-N 3.04Å; L86-L89 PolarHBondContact O-N 3.31Å; N87-L89 PolarHBondContact O-N 2.87Å; L89-R99 PolarHBondContact O-NE 3.42Å; L89-R99 PolarHBondContact O-NH2 2.88Å; L89-A102 HydrophobicContact CB-CB 4.33Å; L89-A103 HydrophobicContact CD1-CB 4.07Å; L89-L106 HydrophobicContact CB-CD1 4.38Å; L89-L106 HydrophobicContact CD2-CD1 3.73Å; L89-A123 HydrophobicContact CD2-CB 4.23Å; L89-Y127 HydrophobicContact CD1-CD2 3.82Å; L89-Y127 HydrophobicContact CD1-CE2 3.99Å; L89-Y127 HydrophobicContact CD1-CG 4.39Å; L89-Y127 HydrophobicContact CD2-CD2 4.04Å; L89-Y127 HydrophobicContact CD2-CE2 4.18Å; L89-Y127 HydrophobicContact CG-CD2 3.91Å; L89-Y127 HydrophobicContact CG-CE2 3.74Å; L89-L135 HydrophobicContact CD1-CD1 3.69Å
90H97.4Very high97.3Very high80 Ų8044.3 Ų44.337%0.3722%0.222SC..Hα-helixtrans-79.8-16.9-177-70.4131.5000114.1L86 N87 D92 E126 Y127L86-H90 WeakPolarHBondContact O-CB 3.44Å; L86-H90 PolarHBondContact O-N 3.12Å; L86-H90 PolarHBondContact O-ND1 2.99Å; L86-H90 VanDerWaalsContact O-ND1 3.08Å; N87-H90 PolarHBondContact O-N 3.46Å; H90-D92 PolarHBondContact O-N 3.43Å; H90-E126 IonicContact CD2-OE2 2.69Å; H90-E126 IonicContact CE1-OE2 3.12Å; H90-E126 IonicContact NE2-OE2 3.05Å; H90-E126 PolarHBondContact NE2-OE2 2.91Å; H90-Y127 AromaticContact CD2-CE2 3.61Å; H90-Y127 AromaticContact CD2-CZ 3.9Å; H90-Y127 PolarHBondContact CD2-OH 3.24Å; H90-Y127 VanDerWaalsContact CD2-OH 3.29Å; H90-Y127 AromaticContact NE2-CE2 3.95Å
91N96.5Very high97.4Very high27 Ų2738.6 Ų38.614%0.14420%0.197CC..  trans-80.9106.9-175.8-178.3-1000111.8V55 N87 A88 K93 H94V55-N91 WeakPolarHBondContact CG1-ND2 3.19Å; N87-N91 VanDerWaalsContact O-CB 3.23Å; N87-N91 WeakPolarHBondContact O-CB 3.39Å; N87-N91 PolarHBondContact O-N 2.89Å; A88-N91 PolarHBondContact O-N 3.45Å; N91-K93 PolarHBondContact O-N 2.83Å; N91-K93 VanDerWaalsContact O-N 3.16Å; N91-K93 VanDerWaalsContact OD1-CB 3.3Å; N91-K93 WeakPolarHBondContact OD1-CB 3.41Å; N91-K93 PolarHBondContact OD1-N 3.33Å; N91-K93 VanDerWaalsContact OD1-N 3.1Å; N91-H94 PolarHBondContact O-N 3.41Å; N91-H94 VanDerWaalsContact O-N 3.11Å
92D94.5Very high97.5Very high136 Ų13638.6 Ų38.673%0.72720%0.197SC*.THydrogen-bonded Turntrans-67.7-9.6-178.766.6-5.8000114.7H90 H94H90-D92 PolarHBondContact O-N 3.43Å; D92-H94 VanDerWaalsContact C-N 3.33Å
93K95.1Very high97.5Very high130 Ų13038.1 Ų38.157%0.56519%0.194SC*.THydrogen-bonded Turntrans-79-17.2172.6-59.8177.6178.7175.60112.9V55 N91V55-K93 HydrophobicContact CB-CB 4.12Å; V55-K93 HydrophobicContact CG1-CB 4.42Å; V55-K93 HydrophobicContact CG2-CB 4.2Å; V55-K93 HydrophobicContact CG2-CD 3.7Å; N91-K93 PolarHBondContact O-N 2.83Å; N91-K93 VanDerWaalsContact O-N 3.16Å; N91-K93 VanDerWaalsContact OD1-CB 3.3Å; N91-K93 WeakPolarHBondContact OD1-CB 3.41Å; N91-K93 PolarHBondContact OD1-N 3.33Å; N91-K93 VanDerWaalsContact OD1-N 3.1Å
94H95.9Very high97.5Very high12 Ų1234.9 Ų34.96%0.05617%0.171CC..SBendtrans-76.3141.5173.5-77-55.8000111.2V51 V55 A88 N91 D92 I98 R99V51-H94 PolarHBondContact O-CE1 2.99Å; V51-H94 PolarHBondContact O-NE2 3.46Å; V55-H94 VanDerWaalsContact CG1-CE1 3.46Å; V55-H94 WeakPolarHBondContact CG1-CE1 3.44Å; A88-H94 PolarHBondContact O-CD2 2.91Å; N91-H94 PolarHBondContact O-N 3.41Å; N91-H94 VanDerWaalsContact O-N 3.11Å; D92-H94 VanDerWaalsContact C-N 3.33Å; H94-I98 HydrophobicContact CB-CB 4.12Å; H94-I98 HydrophobicContact CB-CD1 4.34Å; H94-I98 HydrophobicContact CB-CG2 4.32Å; H94-I98 VanDerWaalsContact ND1-CD1 3.26Å; H94-I98 WeakPolarHBondContact ND1-CD1 3.38Å; H94-R99 HydrophobicContact CB-CG 3.66Å; H94-R99 WeakPolarHBondContact O-CD 3.35Å
95V96Very high97.6Very high45 Ų4530.7 Ų30.727%0.27316%0.155SC..  trans-66.9160.8169.6-61.90000110.5D63 L97 I98 R99D63-V95 HydrophobicContact CB-CG2 3.84Å; V95-L97 HydrophobicContact CG2-CB 3.94Å; V95-L97 PolarHBondContact O-N 3.1Å; V95-L97 VanDerWaalsContact O-N 3.13Å; V95-I98 HydrophobicContact CG2-CD1 4.01Å; V95-I98 HydrophobicContact CG2-CG1 4.02Å; V95-I98 PolarHBondContact O-N 2.79Å; V95-R99 PolarHBondContact O-N 3.21Å
96T96.7Very high97.6Very high41 Ų4130.7 Ų30.725%0.25216%0.155SC..Hα-helixtrans-49.8-39.2177.2-58.60000112.7I98 R99 H100 I132 E134T96-I98 PolarHBondContact O-N 2.89Å; T96-R99 PolarHBondContact O-N 2.97Å; T96-H100 PolarHBondContact O-CD2 2.93Å; T96-H100 PolarHBondContact O-N 3.13Å; T96-I132 HydrophobicContact CG2-CG2 3.4Å; T96-I132 WeakPolarHBondContact OG1-CG2 3.18Å; T96-E134 HydrophobicContact CG2-CB 3.71Å; T96-E134 HydrophobicContact CG2-CG 4.19Å
97L97.6Very high97.6Very high18 Ų1829.6 Ų29.69%0.09415%0.15CC..Hα-helixtrans-52.4-55.7179-164.975.4000112.2H67 V95 R99 H100 E101 M278 H281 V329H67-L97 HydrophobicContact CB-CD2 3.91Å; H67-L97 HydrophobicContact CB-CG 3.77Å; V95-L97 HydrophobicContact CG2-CB 3.94Å; V95-L97 PolarHBondContact O-N 3.1Å; V95-L97 VanDerWaalsContact O-N 3.13Å; L97-R99 VanDerWaalsContact C-N 3.29Å; L97-R99 PolarHBondContact O-N 3.38Å; L97-H100 VanDerWaalsContact C-CD2 3.44Å; L97-H100 WeakPolarHBondContact CA-CD2 3.45Å; L97-H100 VanDerWaalsContact CD1-NE2 3.27Å; L97-H100 WeakPolarHBondContact CD1-NE2 3.48Å; L97-H100 PolarHBondContact O-CD2 3.12Å; L97-H100 PolarHBondContact O-NE2 3.21Å; L97-E101 PolarHBondContact O-N 3.47Å; L97-M278 HydrophobicContact CD1-CB 4.25Å; L97-M278 HydrophobicContact CD1-CG 3.71Å; L97-M278 HydrophobicContact CD1-SD 4.26Å; L97-H281 VanDerWaalsContact CD1-NE2 3.32Å; L97-H281 WeakPolarHBondContact CD1-NE2 3.29Å; L97-V329 HydrophobicContact CD2-CG2 3.78Å
98I98.3Very high97.5Very high1 Ų125.9 Ų25.91%0.00513%0.13CC..Hα-helixtrans-66.6-35.1-178.4-55.5165000111.1V51 Q66 H67 H94 V95 T96 E101 A102V51-I98 HydrophobicContact CG1-CG2 4.39Å; Q66-I98 HydrophobicContact CB-CD1 3.61Å; Q66-I98 HydrophobicContact CB-CG1 3.86Å; Q66-I98 HydrophobicContact CB-CG2 4.45Å; Q66-I98 HydrophobicContact CG-CD1 4.49Å; H67-I98 HydrophobicContact CB-CG1 4.4Å; H94-I98 HydrophobicContact CB-CB 4.12Å; H94-I98 HydrophobicContact CB-CD1 4.34Å; H94-I98 HydrophobicContact CB-CG2 4.32Å; H94-I98 VanDerWaalsContact ND1-CD1 3.26Å; H94-I98 WeakPolarHBondContact ND1-CD1 3.38Å; V95-I98 HydrophobicContact CG2-CD1 4.01Å; V95-I98 HydrophobicContact CG2-CG1 4.02Å; V95-I98 PolarHBondContact O-N 2.79Å; T96-I98 PolarHBondContact O-N 2.89Å; I98-E101 PolarHBondContact O-N 3.37Å; I98-A102 WeakPolarHBondContact O-CB 3.46Å; I98-A102 PolarHBondContact O-N 3.24Å
99R98.2Very high97.5Very high22 Ų2225.9 Ų25.98%0.08313%0.13CC..Hα-helixtrans-74.6-37.1-176-63.8-179.168.9-149.8-4.5112.7L89 H94 V95 T96 L97 E101 A103 Y127 L135L89-R99 PolarHBondContact O-NE 3.42Å; L89-R99 PolarHBondContact O-NH2 2.88Å; H94-R99 HydrophobicContact CB-CG 3.66Å; H94-R99 WeakPolarHBondContact O-CD 3.35Å; V95-R99 PolarHBondContact O-N 3.21Å; T96-R99 PolarHBondContact O-N 2.97Å; L97-R99 VanDerWaalsContact C-N 3.29Å; L97-R99 PolarHBondContact O-N 3.38Å; R99-E101 VanDerWaalsContact C-N 3.34Å; R99-A103 PolarHBondContact O-N 3.08Å; R99-A103 VanDerWaalsContact O-N 3.13Å; R99-Y127 PolarHBondContact NH2-OH 3.41Å; R99-L135 HydrophobicContact CB-CD1 4.13Å; R99-L135 WeakPolarHBondContact O-CD1 3.48Å
100H98.3Very high97.4Very high0 Ų025.9 Ų25.90%013%0.13CC..Hα-helixtrans-64.4-45.417282.475.6000109.5T96 L97 A102 A103 E104 T138 M278T96-H100 PolarHBondContact O-CD2 2.93Å; T96-H100 PolarHBondContact O-N 3.13Å; L97-H100 VanDerWaalsContact C-CD2 3.44Å; L97-H100 WeakPolarHBondContact CA-CD2 3.45Å; L97-H100 VanDerWaalsContact CD1-NE2 3.27Å; L97-H100 WeakPolarHBondContact CD1-NE2 3.48Å; L97-H100 PolarHBondContact O-CD2 3.12Å; L97-H100 PolarHBondContact O-NE2 3.21Å; H100-A102 VanDerWaalsContact C-N 3.29Å; H100-A102 PolarHBondContact O-N 3.14Å; H100-A103 WeakPolarHBondContact O-CA 3.28Å; H100-A103 WeakPolarHBondContact O-CB 3.4Å; H100-A103 PolarHBondContact O-N 3.02Å; H100-E104 PolarHBondContact O-N 3.42Å; H100-T138 WeakPolarHBondContact O-CG2 3.49Å; H100-M278 VanDerWaalsContact CD2-SD 3.51Å; H100-M278 PolarHBondContact NE2-SD 3Å; H100-M278 VanDerWaalsContact NE2-SD 3.36Å
101E98.7Very high97Very high9 Ų923.6 Ų23.64%0.04213%0.129CC..Hα-helixtrans-64.3-37.6-176.7-160.355.2-127.800111.5H67 A70 Y71 L97 I98 R99 E104 A105H67-E101 HydrophobicContact CB-CB 4.13Å; H67-E101 HydrophobicContact CB-CG 4.29Å; H67-E101 IonicContact CD2-OE2 3.51Å; H67-E101 WeakPolarHBondContact O-CG 3.29Å; A70-E101 HydrophobicContact CB-CB 4.12Å; A70-E101 HydrophobicContact CB-CG 4.01Å; Y71-E101 WeakPolarHBondContact CA-OE1 3.42Å; Y71-E101 VanDerWaalsContact CB-OE1 3.29Å; Y71-E101 WeakPolarHBondContact CB-OE1 3.28Å; Y71-E101 WeakPolarHBondContact CD2-OE1 3.45Å; L97-E101 PolarHBondContact O-N 3.47Å; I98-E101 PolarHBondContact O-N 3.37Å; R99-E101 VanDerWaalsContact C-N 3.34Å; E101-E104 PolarHBondContact O-N 3.26Å; E101-A105 WeakPolarHBondContact O-CB 3.41Å; E101-A105 PolarHBondContact O-N 3.46Å
102A98.7Very high96.8Very high0 Ų023.4 Ų23.40%013%0.129CC..Hα-helixtrans-62.7-41.4171.600000113L85 A88 L89 I98 H100 L106L85-A102 HydrophobicContact CD2-CB 4.38Å; A88-A102 HydrophobicContact CB-CB 3.86Å; L89-A102 HydrophobicContact CB-CB 4.33Å; I98-A102 WeakPolarHBondContact O-CB 3.46Å; I98-A102 PolarHBondContact O-N 3.24Å; H100-A102 VanDerWaalsContact C-N 3.29Å; H100-A102 PolarHBondContact O-N 3.14Å; A102-L106 WeakPolarHBondContact O-CD1 3.45Å; A102-L106 VanDerWaalsContact O-CG 3.26Å; A102-L106 WeakPolarHBondContact O-CG 3.49Å; A102-L106 PolarHBondContact O-N 3.4Å
103A98.8Very high96.6Very high0 Ų024.1 Ų24.10%013%0.133CC..Hα-helixtrans-65.9-4117700000112L89 R99 H100 L106 A107 L124 L135 T138L89-A103 HydrophobicContact CD1-CB 4.07Å; R99-A103 PolarHBondContact O-N 3.08Å; R99-A103 VanDerWaalsContact O-N 3.13Å; H100-A103 WeakPolarHBondContact O-CA 3.28Å; H100-A103 WeakPolarHBondContact O-CB 3.4Å; H100-A103 PolarHBondContact O-N 3.02Å; A103-L106 PolarHBondContact O-N 3.33Å; A103-A107 PolarHBondContact O-N 3.02Å; A103-A107 VanDerWaalsContact O-N 3.12Å; A103-L124 HydrophobicContact CB-CD2 3.88Å; A103-L135 HydrophobicContact CB-CD1 4.21Å; A103-T138 HydrophobicContact CB-CG2 3.82Å
104E98.8Very high96.5Very high15 Ų1521.6 Ų21.67%0.0714%0.144CC..Hα-helixtrans-66.1-46.5176-176.7158.9152.900111.8H100 E101 L106 A107 A108 T138 P177H100-E104 PolarHBondContact O-N 3.42Å; E101-E104 PolarHBondContact O-N 3.26Å; E104-L106 VanDerWaalsContact C-N 3.28Å; E104-L106 PolarHBondContact O-N 2.95Å; E104-A107 CarbonylContact O-C 3.59Å; E104-A107 WeakPolarHBondContact O-CA 2.96Å; E104-A107 WeakPolarHBondContact O-CB 3.21Å; E104-A107 PolarHBondContact O-N 3.01Å; E104-A108 PolarHBondContact O-N 2.91Å; E104-T138 HydrophobicContact CB-CG2 3.84Å; E104-P177 HydrophobicContact CG-CB 4.45Å; E104-P177 WeakPolarHBondContact OE1-CD 3.42Å
105A98.6Very high96.5Very high1 Ų121.8 Ų21.81%0.00815%0.147CC..Hα-helixtrans-57-40.4175.800000112.2A70 L85 E101 A108 L109A70-A105 WeakPolarHBondContact O-CB 3.17Å; L85-A105 HydrophobicContact CD1-CB 3.66Å; L85-A105 HydrophobicContact CD2-CB 3.8Å; L85-A105 HydrophobicContact CG-CB 4.36Å; E101-A105 WeakPolarHBondContact O-CB 3.41Å; E101-A105 PolarHBondContact O-N 3.46Å; A105-A108 WeakPolarHBondContact O-CB 3.14Å; A105-A108 PolarHBondContact O-N 2.81Å; A105-L109 WeakPolarHBondContact O-CG 3.28Å; A105-L109 PolarHBondContact O-N 3.39Å
106L98.8Very high96.5Very high0 Ų023.6 Ų23.60%016%0.156CC..Hα-helixtrans-60.6-45.9172.3-75.4165000111.7V82 L85 L86 L89 A102 A103 E104 A108 L109 S110 I120V82-L106 HydrophobicContact CB-CD2 4.45Å; V82-L106 HydrophobicContact CG1-CD2 4.01Å; L85-L106 HydrophobicContact CB-CD1 4.29Å; L85-L106 HydrophobicContact CB-CD2 3.72Å; L85-L106 HydrophobicContact CB-CG 3.71Å; L85-L106 HydrophobicContact CD1-CD2 4.43Å; L85-L106 HydrophobicContact CD1-CG 4.43Å; L86-L106 HydrophobicContact CD2-CD1 3.9Å; L86-L106 HydrophobicContact CD2-CD2 4.11Å; L86-L106 HydrophobicContact CG-CD1 4.44Å; L86-L106 HydrophobicContact CG-CD2 4.04Å; L89-L106 HydrophobicContact CB-CD1 4.38Å; L89-L106 HydrophobicContact CD2-CD1 3.73Å; A102-L106 WeakPolarHBondContact O-CD1 3.45Å; A102-L106 VanDerWaalsContact O-CG 3.26Å; A102-L106 WeakPolarHBondContact O-CG 3.49Å; A102-L106 PolarHBondContact O-N 3.4Å; A103-L106 PolarHBondContact O-N 3.33Å; E104-L106 VanDerWaalsContact C-N 3.28Å; E104-L106 PolarHBondContact O-N 2.95Å; L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.18Å; L106-L109 PolarHBondContact O-N 3.16Å; L106-S110 PolarHBondContact O-N 3.11Å; L106-S110 VanDerWaalsContact O-N 3.15Å; L106-I120 HydrophobicContact CB-CG2 4.03Å; L106-I120 HydrophobicContact CD2-CG1 4.16Å
107A98.3Very high96.5Very high3 Ų323.1 Ų23.13%0.02515%0.151CC..Hα-helixtrans-64.6-35.7177.100000112.4A103 E104 S110 L124 G142 R145A103-A107 PolarHBondContact O-N 3.02Å; A103-A107 VanDerWaalsContact O-N 3.12Å; E104-A107 CarbonylContact O-C 3.59Å; E104-A107 WeakPolarHBondContact O-CA 2.96Å; E104-A107 WeakPolarHBondContact O-CB 3.21Å; E104-A107 PolarHBondContact O-N 3.01Å; A107-S110 WeakPolarHBondContact O-CB 3.33Å; A107-S110 PolarHBondContact O-N 3.18Å; A107-S110 PolarHBondContact O-OG 3.41Å; A107-L124 HydrophobicContact CB-CD1 4.15Å; A107-G142 VanDerWaalsContact CB-CA 3.48Å; A107-R145 PolarHBondContact O-NE 2.68Å
108A96.9Very high96.5Very high3 Ų329.4 Ų29.43%0.02518%0.18CC..Hα-helixtrans-60.8-48.6173.300000111.2E104 A105 L106 S110 G111 I175E104-A108 PolarHBondContact O-N 2.91Å; A105-A108 WeakPolarHBondContact O-CB 3.14Å; A105-A108 PolarHBondContact O-N 2.81Å; L106-A108 VanDerWaalsContact C-N 3.32Å; L106-A108 PolarHBondContact O-N 3.18Å; A108-S110 VanDerWaalsContact C-N 3.26Å; A108-S110 PolarHBondContact O-N 3.2Å; A108-G111 PolarHBondContact O-N 3.39Å; A108-I175 HydrophobicContact CB-CB 4.13Å; A108-I175 HydrophobicContact CB-CD1 4.43Å; A108-I175 HydrophobicContact CB-CG2 3.84Å
109L97.3Very high96.5Very high0 Ų032.2 Ų32.20%020%0.197CC..Hα-helixtrans-66.7-20.4180-68.3174.8000114.2G74 A81 V82 L85 A105 L106 G111 C112 A115G74-L109 WeakPolarHBondContact O-CD2 3.27Å; A81-L109 HydrophobicContact CB-CD1 3.86Å; V82-L109 HydrophobicContact CG2-CB 4.34Å; V82-L109 HydrophobicContact CG2-CD1 3.91Å; L85-L109 HydrophobicContact CD1-CD1 3.53Å; A105-L109 WeakPolarHBondContact O-CG 3.28Å; A105-L109 PolarHBondContact O-N 3.39Å; L106-L109 PolarHBondContact O-N 3.16Å; L109-G111 PolarHBondContact O-N 3.4Å; L109-C112 VanDerWaalsContact O-CB 3.3Å; L109-C112 WeakPolarHBondContact O-CB 3.35Å; L109-C112 PolarHBondContact O-N 3.28Å; L109-A115 WeakPolarHBondContact O-CB 3.42Å
110S95.7Very high96.5Very high0 Ų031.2 Ų31.20%019%0.193CC..THydrogen-bonded Turntrans-59.7-19.6177.5740000114L106 A107 A108 I117 I146 I149L106-S110 PolarHBondContact O-N 3.11Å; L106-S110 VanDerWaalsContact O-N 3.15Å; A107-S110 WeakPolarHBondContact O-CB 3.33Å; A107-S110 PolarHBondContact O-N 3.18Å; A107-S110 PolarHBondContact O-OG 3.41Å; A108-S110 VanDerWaalsContact C-N 3.26Å; A108-S110 PolarHBondContact O-N 3.2Å; S110-I117 WeakPolarHBondContact O-CD1 3.43Å; S110-I117 VanDerWaalsContact O-CG1 3.31Å; S110-I117 WeakPolarHBondContact O-CG1 3.37Å; S110-I146 WeakPolarHBondContact OG-CG1 3.38Å; S110-I149 VanDerWaalsContact OG-CD1 3.26Å; S110-I149 WeakPolarHBondContact OG-CD1 3.38Å
111G88.6Confident96.5Very high32 Ų3233 Ų3333%0.3320%0.202SC..THydrogen-bonded Turntrans-80.2-17.7174.100000114.4A108 L109A108-G111 PolarHBondContact O-N 3.39Å; L109-G111 PolarHBondContact O-N 3.4Å
112C92.3Very high96.5Very high24 Ų2439.2 Ų39.216%0.16223%0.229CC..SBendtrans-80.9147.1-171.1-61.40000112.6G77 P79 L109 G114 A115G77-C112 VanDerWaalsContact CA-SG 3.59Å; G77-C112 PolarHBondContact O-SG 3.01Å; P79-C112 HydrophobicContact CG-CB 4.06Å; L109-C112 VanDerWaalsContact O-CB 3.3Å; L109-C112 WeakPolarHBondContact O-CB 3.35Å; L109-C112 PolarHBondContact O-N 3.28Å; C112-G114 PolarHBondContact O-N 3.26Å; C112-A115 WeakPolarHBondContact O-CB 3.33Å; C112-A115 PolarHBondContact O-N 3.33Å
113D90.9Very high96.5Very high150 Ų15039.4 Ų39.480%0.80223%0.23SC*.THydrogen-bonded Turntrans-66.2129.8174.1-72.6-25.4000110.5P79P79-D113 VanDerWaalsContact CG-O 3.25Å; P79-D113 WeakPolarHBondContact CG-O 3.48Å
114G93.9Very high96.5Very high77 Ų7739.4 Ų39.479%0.79423%0.23SC*.THydrogen-bonded Turntrans88.8-4.9-177.700000115C112C112-G114 PolarHBondContact O-N 3.26Å
115A95.7Very high96.5Very high16 Ų1644 Ų4413%0.13225%0.25CS..  trans-71.6134.1171.400000111.6P79 L109 C112 I117 I120P79-A115 HydrophobicContact CB-CB 4.13Å; P79-A115 HydrophobicContact CG-CB 4.18Å; L109-A115 WeakPolarHBondContact O-CB 3.42Å; C112-A115 WeakPolarHBondContact O-CB 3.33Å; C112-A115 PolarHBondContact O-N 3.33Å; A115-I117 PolarHBondContact O-N 2.63Å; A115-I117 VanDerWaalsContact O-N 3.08Å; A115-I120 HydrophobicContact CB-CD1 4.24Å
116D96.3Very high96.5Very high84 Ų8448.9 Ų48.945%0.44927%0.272SS..  trans-8088.1171.8-168.7-28.7000109.7E118 V119 I120D116-E118 PolarHBondContact O-N 2.92Å; D116-E118 PolarHBondContact OD1-N 3.35Å; D116-E118 VanDerWaalsContact OD1-N 3.17Å; D116-V119 HydrophobicContact CB-CB 4.09Å; D116-V119 HydrophobicContact CB-CG2 4.18Å; D116-V119 PolarHBondContact O-N 3.06Å; D116-V119 PolarHBondContact OD1-N 3.47Å; D116-V119 WeakPolarHBondContact OD2-CG2 3.26Å; D116-I120 WeakPolarHBondContact O-CG1 3.32Å; D116-I120 PolarHBondContact O-N 3.11Å; D116-I120 VanDerWaalsContact O-N 3.08Å
117I96.4Very high96.4Very high30 Ų3050.9 Ų50.915%0.15428%0.28CS..Hα-helixtrans-60.4-33.2-178.5-60.3177.3000111.2S110 A115 I120 E121 I146S110-I117 WeakPolarHBondContact O-CD1 3.43Å; S110-I117 VanDerWaalsContact O-CG1 3.31Å; S110-I117 WeakPolarHBondContact O-CG1 3.37Å; A115-I117 PolarHBondContact O-N 2.63Å; A115-I117 VanDerWaalsContact O-N 3.08Å; I117-I120 PolarHBondContact O-N 3.19Å; I117-E121 WeakPolarHBondContact O-CB 3.37Å; I117-E121 PolarHBondContact O-N 3.13Å; I117-I146 HydrophobicContact CG2-CG2 3.75Å
118E97.2Very high96.4Very high151 Ų15152 Ų5271%0.70629%0.287SS*.Hα-helixtrans-70.2-41.6-178.3-64.6-173.417600111.3D116 K122D116-E118 PolarHBondContact O-N 2.92Å; D116-E118 PolarHBondContact OD1-N 3.35Å; D116-E118 VanDerWaalsContact OD1-N 3.17Å; E118-K122 VanDerWaalsContact O-CB 3.28Å; E118-K122 WeakPolarHBondContact O-CB 3.24Å; E118-K122 PolarHBondContact O-N 2.96Å
119V98.2Very high96.4Very high60 Ų6059 Ų5936%0.36432%0.324SS..Hα-helixtrans-63.3-45.8174170.50000111.1L86 D116 K122 A123L86-V119 HydrophobicContact CD1-CG1 3.65Å; D116-V119 HydrophobicContact CB-CB 4.09Å; D116-V119 HydrophobicContact CB-CG2 4.18Å; D116-V119 PolarHBondContact O-N 3.06Å; D116-V119 PolarHBondContact OD1-N 3.47Å; D116-V119 WeakPolarHBondContact OD2-CG2 3.26Å; V119-K122 PolarHBondContact O-N 3.23Å; V119-A123 PolarHBondContact O-N 3.34Å
120I98.6Very high96.3Very high0 Ų060.2 Ų60.20%033%0.332CS..Hα-helixtrans-59.9-51.8177.3-68.6164.7000110.5V82 L106 A115 D116 I117 K122 A123 L124 I146V82-I120 HydrophobicContact CG1-CD1 4.48Å; V82-I120 HydrophobicContact CG1-CG1 4.06Å; V82-I120 HydrophobicContact CG2-CD1 4Å; V82-I120 HydrophobicContact CG2-CG1 4.43Å; L106-I120 HydrophobicContact CB-CG2 4.03Å; L106-I120 HydrophobicContact CD2-CG1 4.16Å; A115-I120 HydrophobicContact CB-CD1 4.24Å; D116-I120 WeakPolarHBondContact O-CG1 3.32Å; D116-I120 PolarHBondContact O-N 3.11Å; D116-I120 VanDerWaalsContact O-N 3.08Å; I117-I120 PolarHBondContact O-N 3.19Å; I120-K122 VanDerWaalsContact C-N 3.28Å; I120-K122 PolarHBondContact O-N 3.28Å; I120-A123 PolarHBondContact O-N 2.95Å; I120-A123 VanDerWaalsContact O-N 3.15Å; I120-L124 HydrophobicContact CG2-CD1 4.32Å; I120-L124 WeakPolarHBondContact O-CG 3.27Å; I120-L124 PolarHBondContact O-N 3.2Å; I120-I146 HydrophobicContact CG2-CD1 3.86Å
121E98.4Very high96.4Very high38 Ų3867.6 Ų67.618%0.17837%0.372CS..Hα-helixtrans-60.8-39.2-178.7-172.3-175.1164.400111.7I117 K125 L143 I146 K150I117-E121 WeakPolarHBondContact O-CB 3.37Å; I117-E121 PolarHBondContact O-N 3.13Å; E121-K125 HydrophobicContact CG-CD 4.41Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 3Å; E121-K125 VanDerWaalsContact O-N 3.07Å; E121-K125 VanDerWaalsContact OE1-CE 3.25Å; E121-K125 WeakPolarHBondContact OE1-CE 3.49Å; E121-K125 IonicContact OE1-NZ 2.82Å; E121-K125 PolarHBondContact OE1-NZ 2.76Å; E121-L143 HydrophobicContact CG-CD2 3.63Å; E121-I146 HydrophobicContact CB-CD1 4.15Å; E121-I146 HydrophobicContact CB-CG2 4.47Å; E121-I146 HydrophobicContact CG-CG2 4.42Å; E121-K150 IonicContact OE2-NZ 3.72Å; E121-K150 PolarHBondContact OE2-NZ 3.31Å
122K98.6Very high96.8Very high140 Ų14067.9 Ų67.961%0.60937%0.366SS*.Hα-helixtrans-60.9-47.9175-177.7-175.5172.7-170.50111.2E118 V119 I120 L124 K125 E126E118-K122 VanDerWaalsContact O-CB 3.28Å; E118-K122 WeakPolarHBondContact O-CB 3.24Å; E118-K122 PolarHBondContact O-N 2.96Å; V119-K122 PolarHBondContact O-N 3.23Å; I120-K122 VanDerWaalsContact C-N 3.28Å; I120-K122 PolarHBondContact O-N 3.28Å; K122-L124 PolarHBondContact O-N 3.24Å; K122-K125 WeakPolarHBondContact O-CB 3.33Å; K122-K125 PolarHBondContact O-N 3.42Å; K122-E126 PolarHBondContact O-N 3Å
123A98.5Very high97Very high3 Ų370.6 Ų70.63%0.02538%0.381CS..Hα-helixtrans-62.1-42.2-179.800000112.2L86 L89 V119 I120 K125 E126L86-A123 HydrophobicContact CD2-CB 3.3Å; L89-A123 HydrophobicContact CD2-CB 4.23Å; V119-A123 PolarHBondContact O-N 3.34Å; I120-A123 PolarHBondContact O-N 2.95Å; I120-A123 VanDerWaalsContact O-N 3.15Å; A123-K125 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.14Å; A123-E126 WeakPolarHBondContact O-CB 3.46Å; A123-E126 PolarHBondContact O-N 3.32Å
124L98.7Very high97.4Very high0 Ų064.7 Ų64.70%035%0.349CS..Hα-helixtrans-64.8-37.3176.3-61.5-176.7000112.2A103 A107 I120 K122 E126 Y127 V128 C139 L143 I146A103-L124 HydrophobicContact CB-CD2 3.88Å; A107-L124 HydrophobicContact CB-CD1 4.15Å; I120-L124 HydrophobicContact CG2-CD1 4.32Å; I120-L124 WeakPolarHBondContact O-CG 3.27Å; I120-L124 PolarHBondContact O-N 3.2Å; K122-L124 PolarHBondContact O-N 3.24Å; L124-E126 PolarHBondContact O-N 3.04Å; L124-Y127 PolarHBondContact O-N 3.44Å; L124-Y127 VanDerWaalsContact O-N 3.12Å; L124-V128 PolarHBondContact O-N 3.32Å; L124-V128 VanDerWaalsContact O-N 3.13Å; L124-C139 HydrophobicContact CB-CB 4.26Å; L124-C139 WeakPolarHBondContact O-CB 3.45Å; L124-L143 HydrophobicContact CB-CD1 4.46Å; L124-L143 HydrophobicContact CB-CD2 3.9Å; L124-L143 HydrophobicContact CB-CG 3.92Å; L124-L143 HydrophobicContact CD1-CG 4.49Å; L124-I146 HydrophobicContact CD1-CD1 3.74Å
125K98.7Very high97.6Very high113 Ų11361 Ų6149%0.49131%0.311SS..Hα-helixtrans-63-26.7175.7-77.7173-176.8168.30113.5E121 K122 A123 Y127 V128 L143E121-K125 HydrophobicContact CG-CD 4.41Å; E121-K125 WeakPolarHBondContact O-CG 3.46Å; E121-K125 PolarHBondContact O-N 3Å; E121-K125 VanDerWaalsContact O-N 3.07Å; E121-K125 VanDerWaalsContact OE1-CE 3.25Å; E121-K125 WeakPolarHBondContact OE1-CE 3.49Å; E121-K125 IonicContact OE1-NZ 2.82Å; E121-K125 PolarHBondContact OE1-NZ 2.76Å; K122-K125 WeakPolarHBondContact O-CB 3.33Å; K122-K125 PolarHBondContact O-N 3.42Å; A123-K125 VanDerWaalsContact C-N 3.34Å; A123-K125 PolarHBondContact O-N 3.14Å; K125-Y127 PolarHBondContact O-N 2.9Å; K125-V128 WeakPolarHBondContact O-CG1 3.34Å; K125-L143 HydrophobicContact CG-CD1 3.95Å; K125-L143 HydrophobicContact CG-CD2 3.91Å
126E98.2Very high97.7Very high102 Ų10261 Ų6148%0.47731%0.311SS..Hα-helixtrans-65.4-27.9176.2-67.6169.2-171.200111.8H90 K122 A123 L124H90-E126 IonicContact CD2-OE2 2.69Å; H90-E126 IonicContact CE1-OE2 3.12Å; H90-E126 IonicContact NE2-OE2 3.05Å; H90-E126 PolarHBondContact NE2-OE2 2.91Å; K122-E126 PolarHBondContact O-N 3Å; A123-E126 WeakPolarHBondContact O-CB 3.46Å; A123-E126 PolarHBondContact O-N 3.32Å; L124-E126 PolarHBondContact O-N 3.04Å
127Y98.2Very high97.8Very high42 Ų4258.6 Ų58.617%0.16530%0.297CS..Hα-helixtrans-113-2.8-173.6-68.3-71.8000115L89 H90 R99 L124 K125 N129 S130 L135 A136 C139L89-Y127 HydrophobicContact CD1-CD2 3.82Å; L89-Y127 HydrophobicContact CD1-CE2 3.99Å; L89-Y127 HydrophobicContact CD1-CG 4.39Å; L89-Y127 HydrophobicContact CD2-CD2 4.04Å; L89-Y127 HydrophobicContact CD2-CE2 4.18Å; L89-Y127 HydrophobicContact CG-CD2 3.91Å; L89-Y127 HydrophobicContact CG-CE2 3.74Å; H90-Y127 AromaticContact CD2-CE2 3.61Å; H90-Y127 AromaticContact CD2-CZ 3.9Å; H90-Y127 PolarHBondContact CD2-OH 3.24Å; H90-Y127 VanDerWaalsContact CD2-OH 3.29Å; H90-Y127 AromaticContact NE2-CE2 3.95Å; R99-Y127 PolarHBondContact NH2-OH 3.41Å; L124-Y127 PolarHBondContact O-N 3.44Å; L124-Y127 VanDerWaalsContact O-N 3.12Å; K125-Y127 PolarHBondContact O-N 2.9Å; Y127-N129 PolarHBondContact O-N 3Å; Y127-N129 VanDerWaalsContact O-N 3.08Å; Y127-S130 WeakPolarHBondContact O-CB 3.16Å; Y127-S130 PolarHBondContact O-N 3.36Å; Y127-L135 HydrophobicContact CD1-CD2 3.63Å; Y127-L135 HydrophobicContact CD1-CG 4.44Å; Y127-L135 HydrophobicContact CE1-CD2 4.23Å; Y127-L135 HydrophobicContact CG-CD2 4.02Å; Y127-L135 HydrophobicContact CG-CG 4.41Å; Y127-A136 WeakPolarHBondContact O-CA 3.46Å; Y127-C139 VanDerWaalsContact CB-SG 3.55Å
128V97.3Very high97.9Very high28 Ų2857.3 Ų57.317%0.1729%0.29CS..THydrogen-bonded Turntrans-59.2-23.5178.875.40000113.9L124 K125 C139 Q140 L143L124-V128 PolarHBondContact O-N 3.32Å; L124-V128 VanDerWaalsContact O-N 3.13Å; K125-V128 WeakPolarHBondContact O-CG1 3.34Å; V128-C139 HydrophobicContact CB-CB 4.48Å; V128-Q140 HydrophobicContact CG2-CB 4.11Å; V128-L143 HydrophobicContact CB-CD1 4.13Å; V128-L143 HydrophobicContact CG2-CD1 3.99Å
129N96.3Very high98Very high149 Ų14950.1 Ų50.180%0.79726%0.257SS*.THydrogen-bonded Turntrans-113.325.4174.2-59.8-60.4000112.2Y127Y127-N129 PolarHBondContact O-N 3Å; Y127-N129 VanDerWaalsContact O-N 3.08Å
130S96.7Very high98Very high25 Ų2551.2 Ų51.218%0.17526%0.258CS..  trans-56.8147.9176.1179.40000110.8Y127 I132Y127-S130 WeakPolarHBondContact O-CB 3.16Å; Y127-S130 PolarHBondContact O-N 3.36Å; S130-I132 PolarHBondContact O-N 3.45Å; S130-I132 PolarHBondContact OG-N 3.22Å; S130-I132 VanDerWaalsContact OG-N 3.12Å
131N96.8Very high98Very high155 Ų15551.4 Ų51.483%0.82926%0.259SS*.SBendtrans-74.1-7.8170.662.1-21.7000113.1
132I96.7Very high98Very high39 Ų3949.7 Ų49.720%0.225%0.252CS..SBendtrans-94108.3171.4-57.4170.3000107.1T96 S130 E134 L135 A136T96-I132 HydrophobicContact CG2-CG2 3.4Å; T96-I132 WeakPolarHBondContact OG1-CG2 3.18Å; S130-I132 PolarHBondContact O-N 3.45Å; S130-I132 PolarHBondContact OG-N 3.22Å; S130-I132 VanDerWaalsContact OG-N 3.12Å; I132-E134 PolarHBondContact O-N 2.85Å; I132-L135 HydrophobicContact CB-CB 4.04Å; I132-L135 HydrophobicContact CG2-CB 3.94Å; I132-L135 PolarHBondContact O-N 3.39Å; I132-A136 PolarHBondContact O-N 2.89Å
133T97.3Very high98Very high80 Ų8044.2 Ų44.249%0.49123%0.229SC..Hα-helixtrans-55.5-50.8-172.6-56.30000112.3L135 A136 E137T133-L135 VanDerWaalsContact C-N 3.28Å; T133-L135 PolarHBondContact O-N 3.32Å; T133-A136 PolarHBondContact O-N 2.95Å; T133-A136 VanDerWaalsContact O-N 3.17Å; T133-E137 HydrophobicContact CG2-CG 4.2Å; T133-E137 WeakPolarHBondContact O-CB 3.42Å; T133-E137 WeakPolarHBondContact O-CG 3.23Å; T133-E137 PolarHBondContact O-N 3.12Å
134E98Very high97.9Very high26 Ų2645.8 Ų45.812%0.12124%0.237CC..Hα-helixtrans-60.3-41.8-177.1-59.873-163.300110.6T96 I132 E137 T138 H276 M278T96-E134 HydrophobicContact CG2-CB 3.71Å; T96-E134 HydrophobicContact CG2-CG 4.19Å; I132-E134 PolarHBondContact O-N 2.85Å; E134-E137 PolarHBondContact O-N 2.91Å; E134-T138 WeakPolarHBondContact O-CB 3.25Å; E134-T138 PolarHBondContact O-N 3.45Å; E134-T138 PolarHBondContact O-OG1 2.85Å; E134-H276 IonicContact OE1-CD2 3.29Å; E134-H276 IonicContact OE1-CE1 2.96Å; E134-H276 IonicContact OE1-NE2 2.92Å; E134-H276 PolarHBondContact OE1-NE2 2.85Å; E134-M278 HydrophobicContact CB-CE 4.27Å; E134-M278 HydrophobicContact CG-CE 3.65Å; E134-M278 HydrophobicContact CG-SD 4.34Å
135L98Very high97.8Very high0 Ų046.9 Ų46.90%024%0.241CC..Hα-helixtrans-67-42.2178.2-175.361.2000112.2L89 R99 A103 Y127 I132 T133 C139L89-L135 HydrophobicContact CD1-CD1 3.69Å; R99-L135 HydrophobicContact CB-CD1 4.13Å; R99-L135 WeakPolarHBondContact O-CD1 3.48Å; A103-L135 HydrophobicContact CB-CD1 4.21Å; Y127-L135 HydrophobicContact CD1-CD2 3.63Å; Y127-L135 HydrophobicContact CD1-CG 4.44Å; Y127-L135 HydrophobicContact CE1-CD2 4.23Å; Y127-L135 HydrophobicContact CG-CD2 4.02Å; Y127-L135 HydrophobicContact CG-CG 4.41Å; I132-L135 HydrophobicContact CB-CB 4.04Å; I132-L135 HydrophobicContact CG2-CB 3.94Å; I132-L135 PolarHBondContact O-N 3.39Å; T133-L135 VanDerWaalsContact C-N 3.28Å; T133-L135 PolarHBondContact O-N 3.32Å; L135-C139 WeakPolarHBondContact O-CB 3.42Å; L135-C139 PolarHBondContact O-N 2.89Å; L135-C139 PolarHBondContact O-SG 3.05Å
136A98.4Very high97.7Very high15 Ų1541.6 Ų41.612%0.12422%0.218CC..Hα-helixtrans-63-45.7176.400000111.4Y127 I132 T133 C139 Q140Y127-A136 WeakPolarHBondContact O-CA 3.46Å; I132-A136 PolarHBondContact O-N 2.89Å; T133-A136 PolarHBondContact O-N 2.95Å; T133-A136 VanDerWaalsContact O-N 3.17Å; A136-C139 PolarHBondContact O-N 3.22Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 PolarHBondContact O-N 2.86Å
137E98.5Very high97.5Very high35 Ų3541.2 Ų41.216%0.16422%0.217CC..Hα-helixtrans-61.1-46.8177.3-75.9-173.5158.600111.8T133 E134 C139 Q140 V141 L203 S243 L245T133-E137 HydrophobicContact CG2-CG 4.2Å; T133-E137 WeakPolarHBondContact O-CB 3.42Å; T133-E137 WeakPolarHBondContact O-CG 3.23Å; T133-E137 PolarHBondContact O-N 3.12Å; E134-E137 PolarHBondContact O-N 2.91Å; E137-C139 VanDerWaalsContact C-N 3.34Å; E137-C139 PolarHBondContact O-N 2.86Å; E137-Q140 WeakPolarHBondContact O-CB 3.34Å; E137-Q140 PolarHBondContact O-N 3.02Å; E137-Q140 VanDerWaalsContact O-N 3.13Å; E137-V141 WeakPolarHBondContact O-CG2 3.48Å; E137-V141 PolarHBondContact O-N 2.92Å; E137-L203 HydrophobicContact CB-CD2 3.56Å; E137-L203 HydrophobicContact CG-CD2 3.78Å; E137-S243 VanDerWaalsContact CD-OG 3.28Å; E137-S243 WeakPolarHBondContact OE1-CB 3.48Å; E137-S243 PolarHBondContact OE1-OG 3.27Å; E137-S243 WeakPolarHBondContact OE2-CB 3.32Å; E137-S243 PolarHBondContact OE2-OG 2.9Å; E137-L245 HydrophobicContact CB-CB 4.35Å; E137-L245 HydrophobicContact CB-CD2 3.65Å; E137-L245 WeakPolarHBondContact OE2-CB 3.44Å
138T98.8Very high97.2Very high2 Ų241 Ų411%0.01222%0.215CC..Hα-helixtrans-61.5-43.7177.4-60.10000111.4H100 A103 E104 E134 Q140 V141 G142 L245H100-T138 WeakPolarHBondContact O-CG2 3.49Å; A103-T138 HydrophobicContact CB-CG2 3.82Å; E104-T138 HydrophobicContact CB-CG2 3.84Å; E134-T138 WeakPolarHBondContact O-CB 3.25Å; E134-T138 PolarHBondContact O-N 3.45Å; E134-T138 PolarHBondContact O-OG1 2.85Å; T138-Q140 VanDerWaalsContact C-N 3.3Å; T138-Q140 PolarHBondContact O-N 3.2Å; T138-V141 PolarHBondContact O-N 3.5Å; T138-G142 PolarHBondContact O-N 3.09Å; T138-L245 VanDerWaalsContact OG1-CD1 3.23Å; T138-L245 WeakPolarHBondContact OG1-CD1 3.4Å; T138-L245 VanDerWaalsContact OG1-CD2 3.25Å; T138-L245 WeakPolarHBondContact OG1-CD2 3.33Å
139C98.7Very high96.9Very high0 Ų040.2 Ų40.20%021%0.21CC..Hα-helixtrans-63.4-37.9176.2-66.90000111.7L124 Y127 V128 L135 A136 E137 G142 L143L124-C139 HydrophobicContact CB-CB 4.26Å; L124-C139 WeakPolarHBondContact O-CB 3.45Å; Y127-C139 VanDerWaalsContact CB-SG 3.55Å; V128-C139 HydrophobicContact CB-CB 4.48Å; L135-C139 WeakPolarHBondContact O-CB 3.42Å; L135-C139 PolarHBondContact O-N 2.89Å; L135-C139 PolarHBondContact O-SG 3.05Å; A136-C139 PolarHBondContact O-N 3.22Å; E137-C139 VanDerWaalsContact C-N 3.34Å; E137-C139 PolarHBondContact O-N 2.86Å; C139-G142 PolarHBondContact O-N 3.27Å; C139-L143 WeakPolarHBondContact O-CB 3.46Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 2.96Å
140Q98.4Very high96.7Very high84 Ų8437.1 Ų37.139%0.39319%0.189SC..Hα-helixtrans-65-44.1176.3-176.559.18100112V128 A136 E137 T138 N144V128-Q140 HydrophobicContact CG2-CB 4.11Å; A136-Q140 WeakPolarHBondContact O-CB 3.42Å; A136-Q140 PolarHBondContact O-N 2.86Å; E137-Q140 WeakPolarHBondContact O-CB 3.34Å; E137-Q140 PolarHBondContact O-N 3.02Å; E137-Q140 VanDerWaalsContact O-N 3.13Å; T138-Q140 VanDerWaalsContact C-N 3.3Å; T138-Q140 PolarHBondContact O-N 3.2Å; Q140-N144 PolarHBondContact NE2-ND2 2.9Å; Q140-N144 VanDerWaalsContact NE2-ND2 3.1Å; Q140-N144 PolarHBondContact O-N 3.25Å; Q140-N144 PolarHBondContact O-ND2 3.5Å
141V98.4Very high96.3Very high3 Ų339.4 Ų39.42%0.01820%0.196CC..Hα-helixtrans-63.7-46.2175173.40000110.3E137 T138 L143 N144 R145 P177 L203 F204 Y207E137-V141 WeakPolarHBondContact O-CG2 3.48Å; E137-V141 PolarHBondContact O-N 2.92Å; T138-V141 PolarHBondContact O-N 3.5Å; V141-L143 PolarHBondContact O-N 3.39Å; V141-N144 PolarHBondContact O-N 2.92Å; V141-R145 PolarHBondContact O-N 3.39Å; V141-P177 HydrophobicContact CG1-CB 3.81Å; V141-L203 HydrophobicContact CG2-CB 4.37Å; V141-L203 HydrophobicContact CG2-CD2 3.75Å; V141-L203 HydrophobicContact CG2-CG 3.83Å; V141-F204 HydrophobicContact CG1-CD2 4.16Å; V141-Y207 HydrophobicContact CG1-CD1 4.03Å; V141-Y207 HydrophobicContact CG1-CE1 4.21Å; V141-Y207 HydrophobicContact CG2-CD2 4.4Å; V141-Y207 HydrophobicContact CG2-CE2 4.34Å
142G98.4Very high95.8Very high3 Ų336.9 Ų36.93%0.03118%0.178CC..Hα-helixtrans-60.9-39.2178.400000113.8A107 T138 C139 R145 I146A107-G142 VanDerWaalsContact CB-CA 3.48Å; T138-G142 PolarHBondContact O-N 3.09Å; C139-G142 PolarHBondContact O-N 3.27Å; G142-R145 WeakPolarHBondContact O-CB 3.29Å; G142-R145 PolarHBondContact O-N 3.15Å; G142-I146 WeakPolarHBondContact O-CG1 3.27Å; G142-I146 PolarHBondContact O-N 3.19Å
143L98.6Very high95.1Very high24 Ų2441 Ų4113%0.12620%0.195CC..Hα-helixtrans-65.7-41.1174.8-73.8170.1000112.3E121 L124 K125 V128 C139 V141 R145 I146 E147E121-L143 HydrophobicContact CG-CD2 3.63Å; L124-L143 HydrophobicContact CB-CD1 4.46Å; L124-L143 HydrophobicContact CB-CD2 3.9Å; L124-L143 HydrophobicContact CB-CG 3.92Å; L124-L143 HydrophobicContact CD1-CG 4.49Å; K125-L143 HydrophobicContact CG-CD1 3.95Å; K125-L143 HydrophobicContact CG-CD2 3.91Å; V128-L143 HydrophobicContact CB-CD1 4.13Å; V128-L143 HydrophobicContact CG2-CD1 3.99Å; C139-L143 WeakPolarHBondContact O-CB 3.46Å; C139-L143 WeakPolarHBondContact O-CG 3.49Å; C139-L143 PolarHBondContact O-N 2.96Å; V141-L143 PolarHBondContact O-N 3.39Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.07Å; L143-I146 PolarHBondContact O-N 3.37Å; L143-E147 PolarHBondContact O-N 2.86Å
144N97.5Very high94.6Very high36 Ų3641.6 Ų41.619%0.19320%0.198CC..Hα-helixtrans-64-38.1174.4-76.5-65.7000111.5Q140 V141 E147 W148 F204Q140-N144 PolarHBondContact NE2-ND2 2.9Å; Q140-N144 VanDerWaalsContact NE2-ND2 3.1Å; Q140-N144 PolarHBondContact O-N 3.25Å; Q140-N144 PolarHBondContact O-ND2 3.5Å; V141-N144 PolarHBondContact O-N 2.92Å; N144-E147 PolarHBondContact O-N 2.9Å; N144-W148 PolarHBondContact O-N 3.48Å; N144-F204 HydrophobicContact CB-CB 3.95Å; N144-F204 HydrophobicContact CB-CD1 3.86Å; N144-F204 HydrophobicContact CB-CD2 3.33Å; N144-F204 HydrophobicContact CB-CE1 4.14Å; N144-F204 HydrophobicContact CB-CE2 3.64Å; N144-F204 HydrophobicContact CB-CG 3.44Å; N144-F204 VanDerWaalsContact CB-CG 3.44Å; N144-F204 HydrophobicContact CB-CZ 4.03Å
145R95.5Very high93.5Very high24 Ų2442.9 Ų42.99%0.09122%0.218CC..Hα-helixtrans-60.3-46.5172.7-178.7179.1170737.1112A107 V141 G142 L143 E147 W148 I149 D176 P177 F204A107-R145 PolarHBondContact O-NE 2.68Å; V141-R145 PolarHBondContact O-N 3.39Å; G142-R145 WeakPolarHBondContact O-CB 3.29Å; G142-R145 PolarHBondContact O-N 3.15Å; L143-R145 VanDerWaalsContact C-N 3.31Å; L143-R145 PolarHBondContact O-N 3.07Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-E147 PolarHBondContact O-N 3.18Å; R145-W148 WeakPolarHBondContact O-CB 3.47Å; R145-W148 PolarHBondContact O-N 2.87Å; R145-I149 HydrophobicContact CG-CD1 4Å; R145-I149 WeakPolarHBondContact O-CG1 3.47Å; R145-I149 PolarHBondContact O-N 3.32Å; R145-D176 VanDerWaalsContact CZ-O 3.29Å; R145-D176 PolarHBondContact NH1-O 3.22Å; R145-P177 WeakPolarHBondContact CB-O 3.46Å; R145-P177 WeakPolarHBondContact CD-O 3.16Å; R145-F204 HydrophobicContact CB-CE2 4.45Å
146I96.5Very high92.1Very high2 Ų250.1 Ų50.11%0.0125%0.252CS..Hα-helixtrans-60.5-43.9176.9-71.1167000110.8S110 I117 I120 E121 L124 G142 L143 W148 I149 K150S110-I146 WeakPolarHBondContact OG-CG1 3.38Å; I117-I146 HydrophobicContact CG2-CG2 3.75Å; I120-I146 HydrophobicContact CG2-CD1 3.86Å; E121-I146 HydrophobicContact CB-CD1 4.15Å; E121-I146 HydrophobicContact CB-CG2 4.47Å; E121-I146 HydrophobicContact CG-CG2 4.42Å; L124-I146 HydrophobicContact CD1-CD1 3.74Å; G142-I146 WeakPolarHBondContact O-CG1 3.27Å; G142-I146 PolarHBondContact O-N 3.19Å; L143-I146 PolarHBondContact O-N 3.37Å; I146-W148 VanDerWaalsContact C-N 3.32Å; I146-W148 PolarHBondContact O-N 3.31Å; I146-I149 PolarHBondContact O-N 3.42Å; I146-K150 HydrophobicContact CG2-CD 4.19Å; I146-K150 WeakPolarHBondContact O-CG 3.35Å; I146-K150 PolarHBondContact O-N 2.78Å
147E95.2Very high90.6Very high94 Ų9452.2 Ų52.244%0.43926%0.259SS..Hα-helixtrans-59.4-44.5176.2-171.4-174.9166.600111.4L143 N144 R145 K150 K151L143-E147 PolarHBondContact O-N 2.86Å; N144-E147 PolarHBondContact O-N 2.9Å; R145-E147 VanDerWaalsContact C-N 3.33Å; R145-E147 PolarHBondContact O-N 3.18Å; E147-K150 PolarHBondContact O-N 3.28Å; E147-K151 HydrophobicContact CG-CD 4.45Å; E147-K151 WeakPolarHBondContact O-CG 3.41Å; E147-K151 PolarHBondContact O-N 2.88Å; E147-K151 WeakPolarHBondContact OE1-CE 3.26Å; E147-K151 IonicContact OE1-NZ 3.87Å; E147-K151 PolarHBondContact OE1-NZ 3.09Å
148W91.4Very high88.5Confident37 Ų3760.1 Ų60.114%0.1429%0.293CS..Hα-helixtrans-60.5-46.5175.1170.977.5000112.4N144 R145 I146 K150 K151 K152 H157 H179N144-W148 PolarHBondContact O-N 3.48Å; R145-W148 WeakPolarHBondContact O-CB 3.47Å; R145-W148 PolarHBondContact O-N 2.87Å; I146-W148 VanDerWaalsContact C-N 3.32Å; I146-W148 PolarHBondContact O-N 3.31Å; W148-K150 VanDerWaalsContact C-N 3.31Å; W148-K150 PolarHBondContact O-N 3.39Å; W148-K151 PolarHBondContact O-N 3.44Å; W148-K152 HydrophobicContact CH2-CD 4.28Å; W148-K152 HydrophobicContact CZ2-CD 4.07Å; W148-K152 WeakPolarHBondContact O-CB 3.17Å; W148-K152 PolarHBondContact O-N 3.4Å; W148-H157 AromaticContact CD1-CE1 3.87Å; W148-H157 AromaticContact CD1-NE2 3.89Å; W148-H157 AromaticContact NE1-ND1 4Å; W148-H179 AromaticContact CD1-CD2 3.38Å; W148-H179 AromaticContact CD1-CE1 3.88Å; W148-H179 AromaticContact CD1-NE2 3.23Å; W148-H179 AromaticContact CD2-CD2 3.74Å; W148-H179 AromaticContact CE2-CD2 3.7Å; W148-H179 AromaticContact CE2-CG 3.85Å; W148-H179 AromaticContact CG-CD2 3.56Å; W148-H179 AromaticContact CG-NE2 3.79Å; W148-H179 HydrophobicContact CH2-CB 4.32Å; W148-H179 HydrophobicContact CZ2-CB 3.93Å; W148-H179 AromaticContact NE1-CD2 3.44Å; W148-H179 PolarHBondContact NE1-CD2 3.34Å; W148-H179 AromaticContact NE1-CE1 3.78Å; W148-H179 AromaticContact NE1-CG 3.72Å; W148-H179 AromaticContact NE1-ND1 3.96Å; W148-H179 AromaticContact NE1-NE2 3.52Å
149I90.7Very high86.5Confident12 Ų1262.4 Ų62.46%0.06231%0.305CS..Hα-helixtrans-58-44.5176.5-70.6163.7000110.8S110 R145 I146 K152 K153S110-I149 VanDerWaalsContact OG-CD1 3.26Å; S110-I149 WeakPolarHBondContact OG-CD1 3.38Å; R145-I149 HydrophobicContact CG-CD1 4Å; R145-I149 WeakPolarHBondContact O-CG1 3.47Å; R145-I149 PolarHBondContact O-N 3.32Å; I146-I149 PolarHBondContact O-N 3.42Å; I149-K152 PolarHBondContact O-N 3.09Å; I149-K153 HydrophobicContact CG2-CD 4.37Å; I149-K153 PolarHBondContact O-N 3.46Å
150K92.1Very high84.2Confident83 Ų8365.6 Ų65.636%0.36133%0.327SS..Hα-helixtrans-60.8-47.1177.4-74.2178.1173.2-171.10111.6E121 I146 E147 W148 K152 K153 T154E121-K150 IonicContact OE2-NZ 3.72Å; E121-K150 PolarHBondContact OE2-NZ 3.31Å; I146-K150 HydrophobicContact CG2-CD 4.19Å; I146-K150 WeakPolarHBondContact O-CG 3.35Å; I146-K150 PolarHBondContact O-N 2.78Å; E147-K150 PolarHBondContact O-N 3.28Å; W148-K150 VanDerWaalsContact C-N 3.31Å; W148-K150 PolarHBondContact O-N 3.39Å; K150-K152 VanDerWaalsContact C-N 3.33Å; K150-K152 PolarHBondContact O-N 2.94Å; K150-K153 PolarHBondContact O-N 3.18Å; K150-T154 WeakPolarHBondContact O-CG2 3.44Å; K150-T154 PolarHBondContact O-N 2.96Å; K150-T154 PolarHBondContact O-OG1 3.46Å
151K89.4Confident82.1Confident73 Ų7366.7 Ų66.732%0.31733%0.333SS..Hα-helixtrans-64-35.7177.1-71.4175.7-176.8168.10112.9E147 W148 T154 G155 Q156 H157E147-K151 HydrophobicContact CG-CD 4.45Å; E147-K151 WeakPolarHBondContact O-CG 3.41Å; E147-K151 PolarHBondContact O-N 2.88Å; E147-K151 WeakPolarHBondContact OE1-CE 3.26Å; E147-K151 IonicContact OE1-NZ 3.87Å; E147-K151 PolarHBondContact OE1-NZ 3.09Å; W148-K151 PolarHBondContact O-N 3.44Å; K151-T154 PolarHBondContact O-N 3.21Å; K151-T154 PolarHBondContact O-OG1 3.49Å; K151-T154 VanDerWaalsContact O-OG1 3.1Å; K151-G155 PolarHBondContact O-N 3.25Å; K151-Q156 PolarHBondContact O-N 3.01Å; K151-H157 HydrophobicContact CB-CB 4.44Å; K151-H157 PolarHBondContact O-N 3.04Å
152K84.8Confident79.8Confident103 Ų10370.2 Ų70.245%0.44836%0.362SS..Hα-helixtrans-64.9-46.1175.3-173.6178.2179.5177.50111W148 I149 K150 T154 G155W148-K152 HydrophobicContact CH2-CD 4.28Å; W148-K152 HydrophobicContact CZ2-CD 4.07Å; W148-K152 WeakPolarHBondContact O-CB 3.17Å; W148-K152 PolarHBondContact O-N 3.4Å; I149-K152 PolarHBondContact O-N 3.09Å; K150-K152 VanDerWaalsContact C-N 3.33Å; K150-K152 PolarHBondContact O-N 2.94Å; K152-T154 VanDerWaalsContact C-N 3.28Å; K152-T154 PolarHBondContact O-N 3.15Å; K152-G155 PolarHBondContact O-N 3.06Å; K152-G155 VanDerWaalsContact O-N 3.13Å
153K83.4Confident77.5Confident126 Ų12672.9 Ų72.955%0.54838%0.375SS..Hα-helixtrans-62.4-31.5177.8-75.5-177.4175.9179.60113.1I149 K150 G155I149-K153 HydrophobicContact CG2-CD 4.37Å; I149-K153 PolarHBondContact O-N 3.46Å; K150-K153 PolarHBondContact O-N 3.18Å; K153-G155 VanDerWaalsContact C-N 3.34Å
154T85.2Confident75.4Confident92 Ų9273.1 Ų73.156%0.56438%0.379SS*.THydrogen-bonded Turntrans-86.70177.660.50000114.1K150 K151 K152 Q156K150-T154 WeakPolarHBondContact O-CG2 3.44Å; K150-T154 PolarHBondContact O-N 2.96Å; K150-T154 PolarHBondContact O-OG1 3.46Å; K151-T154 PolarHBondContact O-N 3.21Å; K151-T154 PolarHBondContact O-OG1 3.49Å; K151-T154 VanDerWaalsContact O-OG1 3.1Å; K152-T154 VanDerWaalsContact C-N 3.28Å; K152-T154 PolarHBondContact O-N 3.15Å; T154-Q156 PolarHBondContact O-N 3.21Å; T154-Q156 WeakPolarHBondContact OG1-CG 3.33Å
155G76.6Confident74.2Confident53 Ų5375 Ų7555%0.54639%0.389SS..THydrogen-bonded Turntrans69.412.4-17700000114.3K151 K152 K153 H157K151-G155 PolarHBondContact O-N 3.25Å; K152-G155 PolarHBondContact O-N 3.06Å; K152-G155 VanDerWaalsContact O-N 3.13Å; K153-G155 VanDerWaalsContact C-N 3.34Å; G155-H157 VanDerWaalsContact C-N 3.3Å
156Q68.7Low73.7Confident151 Ų15174.8 Ų74.871%0.70639%0.389SS*.  trans-80-14177.6-71.1179.8-15.900112.7K151 T154K151-Q156 PolarHBondContact O-N 3.01Å; T154-Q156 PolarHBondContact O-N 3.21Å; T154-Q156 WeakPolarHBondContact OG1-CG 3.33Å
157H65.1Low73.1Confident60 Ų6074.8 Ų74.828%0.27839%0.389SS..  trans-98.3113.6171.5-123.8-90.8000110.1W148 K151 G155 D159W148-H157 AromaticContact CD1-CE1 3.87Å; W148-H157 AromaticContact CD1-NE2 3.89Å; W148-H157 AromaticContact NE1-ND1 4Å; K151-H157 HydrophobicContact CB-CB 4.44Å; K151-H157 PolarHBondContact O-N 3.04Å; G155-H157 VanDerWaalsContact C-N 3.3Å; H157-D159 VanDerWaalsContact C-N 3.31Å; H157-D159 IonicContact CE1-OD1 2.55Å; H157-D159 IonicContact CE1-OD2 3.49Å; H157-D159 PolarHBondContact CE1-OD2 3.25Å; H157-D159 IonicContact ND1-OD1 2.8Å; H157-D159 IonicContact ND1-OD2 3.46Å; H157-D159 PolarHBondContact ND1-OD2 3.31Å
158K55.9Low72.6Confident201 Ų20174.5 Ų74.587%0.87439%0.394SS*.  trans-95.723.7176.4-69.5-171.9176.4-178.40113.1S160K158-S160 PolarHBondContact O-N 3.24Å
159D56.5Low72.5Confident49 Ų4980.8 Ų80.826%0.26242%0.423SS..  trans-64.1127.2-174.2-96.42.5000111H157 Q161 H179 T182H157-D159 VanDerWaalsContact C-N 3.31Å; H157-D159 IonicContact CE1-OD1 2.55Å; H157-D159 IonicContact CE1-OD2 3.49Å; H157-D159 PolarHBondContact CE1-OD2 3.25Å; H157-D159 IonicContact ND1-OD1 2.8Å; H157-D159 IonicContact ND1-OD2 3.46Å; H157-D159 PolarHBondContact ND1-OD2 3.31Å; D159-Q161 PolarHBondContact O-N 3.45Å; D159-H179 IonicContact OD2-CE1 3.28Å; D159-H179 IonicContact OD2-ND1 2.76Å; D159-T182 WeakPolarHBondContact CB-OG1 3.46Å; D159-T182 PolarHBondContact OD1-OG1 3.4Å; D159-T182 PolarHBondContact OD2-OG1 3.25Å; D159-T182 VanDerWaalsContact OD2-OG1 3.06Å
160S49.4Very low72.4Confident67 Ų6783.9 Ų83.947%0.46944%0.439SS..  trans-60.3117.3-177.9170.90000110.6K158 A162 T182K158-S160 PolarHBondContact O-N 3.24Å; S160-A162 VanDerWaalsContact C-N 3.29Å; S160-A162 PolarHBondContact O-N 3.27Å; S160-T182 WeakPolarHBondContact O-CB 3.41Å; S160-T182 WeakPolarHBondContact O-CG2 3.16Å
161Q53.8Low72.4Confident108 Ų10881.9 Ų81.951%0.50543%0.43SS..Hα-helixtrans-58.4-34.1-172.6-135.882.427.400114.2D159 L163 C164 D165D159-Q161 PolarHBondContact O-N 3.45Å; Q161-L163 PolarHBondContact O-N 2.66Å; Q161-C164 PolarHBondContact O-N 3.14Å; Q161-D165 WeakPolarHBondContact CG-OD2 3.28Å; Q161-D165 PolarHBondContact O-N 3.14Å
162A51.5Low72.3Confident77 Ų7782.8 Ų82.864%0.63644%0.444SS*.Hα-helixtrans-65.5-35.7-155.800000116.1S160S160-A162 VanDerWaalsContact C-N 3.29Å; S160-A162 PolarHBondContact O-N 3.27Å
163L49.9Very low72.5Confident59 Ų5982.5 Ų82.531%0.30945%0.447SS..Hα-helixtrans-82.7-39.1178.4-83.2163.9000112.2Q161 D165 L166Q161-L163 PolarHBondContact O-N 2.66Å; L163-D165 PolarHBondContact O-N 2.8Å; L163-L166 WeakPolarHBondContact O-CB 3.4Å; L163-L166 PolarHBondContact O-N 3.46Å
164C55.3Low72.9Confident29 Ų2977.8 Ų77.820%0.19643%0.429CS..Hα-helixtrans-61.4-28.5174.9-116.70000112.3Q161 L166 T168 S180 T182Q161-C164 PolarHBondContact O-N 3.14Å; C164-L166 VanDerWaalsContact C-N 3.28Å; C164-L166 PolarHBondContact O-N 3.38Å; C164-T168 PolarHBondContact O-OG1 2.76Å; C164-S180 PolarHBondContact SG-OG 3.1Å; C164-T182 HydrophobicContact CB-CG2 3.91Å
165D71.7Confident73.3Confident76 Ų7675.4 Ų75.441%0.40641%0.412SS..Hα-helixtrans-74.5-17.9178.4-66.2-19.2000112.8Q161 L163 K169Q161-D165 WeakPolarHBondContact CG-OD2 3.28Å; Q161-D165 PolarHBondContact O-N 3.14Å; L163-D165 PolarHBondContact O-N 2.8Å; D165-K169 VanDerWaalsContact O-CB 3.29Å; D165-K169 WeakPolarHBondContact O-CB 3.29Å; D165-K169 PolarHBondContact O-N 3.12Å
166L83.6Confident74.1Confident18 Ų1874 Ų749%0.09439%0.393CS..Hα-helixtrans-66.9-52.9-176.5178.260.2000111.7L163 C164 T168 K169 L170 L218 Q219 I222L163-L166 WeakPolarHBondContact O-CB 3.4Å; L163-L166 PolarHBondContact O-N 3.46Å; C164-L166 VanDerWaalsContact C-N 3.28Å; C164-L166 PolarHBondContact O-N 3.38Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.22Å; L166-K169 WeakPolarHBondContact O-CB 3.39Å; L166-K169 PolarHBondContact O-N 3.4Å; L166-K169 VanDerWaalsContact O-N 3.15Å; L166-L170 HydrophobicContact CD1-CD1 3.88Å; L166-L170 HydrophobicContact CD1-CG 4.22Å; L166-L170 HydrophobicContact CG-CD1 4.18Å; L166-L170 PolarHBondContact O-N 3.4Å; L166-L218 HydrophobicContact CD2-CB 3.72Å; L166-L218 HydrophobicContact CG-CB 4.28Å; L166-Q219 HydrophobicContact CD2-CB 4.2Å; L166-I222 HydrophobicContact CD1-CD1 3.3Å; L166-I222 HydrophobicContact CD2-CD1 4.24Å; L166-I222 HydrophobicContact CG-CD1 4.36Å
167A85.6Confident75.4Confident2 Ų267.2 Ų67.22%0.01736%0.361CS..Hα-helixtrans-62.8-42.3177.600000111.6K169 L170 F171 L218A167-K169 PolarHBondContact O-N 2.6Å; A167-L170 PolarHBondContact O-N 2.88Å; A167-L170 VanDerWaalsContact O-N 3.14Å; A167-F171 HydrophobicContact CB-CD2 4.48Å; A167-F171 PolarHBondContact O-N 3.19Å; A167-L218 HydrophobicContact CB-CD1 4.25Å
168T85Confident76.9Confident89 Ų8964.4 Ų64.455%0.54635%0.348SS..Hα-helixtrans-57-35.9175.1-54.20000111.7C164 L166 P172C164-T168 PolarHBondContact O-OG1 2.76Å; L166-T168 VanDerWaalsContact C-N 3.34Å; L166-T168 PolarHBondContact O-N 3.22Å; T168-P172 VanDerWaalsContact O-CA 3.28Å; T168-P172 WeakPolarHBondContact O-CA 3.46Å
169K87.7Confident78.5Confident168 Ų16855.4 Ų55.473%0.7331%0.309SS*.Hα-helixtrans-73.8-39.4177.9-176.5-177.9177.3-1740112.9D165 L166 A167D165-K169 VanDerWaalsContact O-CB 3.29Å; D165-K169 WeakPolarHBondContact O-CB 3.29Å; D165-K169 PolarHBondContact O-N 3.12Å; L166-K169 WeakPolarHBondContact O-CB 3.39Å; L166-K169 PolarHBondContact O-N 3.4Å; L166-K169 VanDerWaalsContact O-N 3.15Å; A167-K169 PolarHBondContact O-N 2.6Å
170L89.8Confident80.2Confident77 Ų7753.2 Ų53.240%0.40330%0.298SS..Hα-helixtrans-83-29.7-177.2-68.8177.3000112.8L166 A167 P172 L218 I222L166-L170 HydrophobicContact CD1-CD1 3.88Å; L166-L170 HydrophobicContact CD1-CG 4.22Å; L166-L170 HydrophobicContact CG-CD1 4.18Å; L166-L170 PolarHBondContact O-N 3.4Å; A167-L170 PolarHBondContact O-N 2.88Å; A167-L170 VanDerWaalsContact O-N 3.14Å; L170-P172 VanDerWaalsContact C-CD 3.41Å; L170-P172 WeakPolarHBondContact O-CD 3.39Å; L170-L218 HydrophobicContact CD1-CB 3.95Å; L170-L218 HydrophobicContact CD1-CD1 4.02Å; L170-L218 HydrophobicContact CD1-CD2 3.82Å; L170-L218 HydrophobicContact CD1-CG 4.13Å; L170-I222 HydrophobicContact CD1-CD1 4.14Å
171F91.1Very high82.1Confident41 Ų4150.7 Ų50.718%0.1828%0.278CS..  trans-123.463.9179.1-50.5-57.5000110.5A167 N173 T174 L218 Q256A167-F171 HydrophobicContact CB-CD2 4.48Å; A167-F171 PolarHBondContact O-N 3.19Å; F171-N173 PolarHBondContact O-N 3.29Å; F171-T174 PolarHBondContact O-N 3.04Å; F171-L218 HydrophobicContact CD2-CD1 4.49Å; F171-L218 HydrophobicContact CE2-CD1 3.76Å; F171-L218 HydrophobicContact CE2-CD2 4.02Å; F171-L218 HydrophobicContact CE2-CG 4.48Å; F171-L218 HydrophobicContact CZ-CD2 3.96Å; F171-Q256 HydrophobicContact CE1-CB 4.16Å; F171-Q256 HydrophobicContact CE2-CB 4.26Å; F171-Q256 HydrophobicContact CZ-CB 3.84Å
172P88Confident83.1Confident93 Ų9346 Ų4660%0.60426%0.257SS*.THydrogen-bonded Turntrans-66.2-13.4-172.428.5-37.2000114.3T168 L170T168-P172 VanDerWaalsContact O-CA 3.28Å; T168-P172 WeakPolarHBondContact O-CA 3.46Å; L170-P172 VanDerWaalsContact C-CD 3.41Å; L170-P172 WeakPolarHBondContact O-CD 3.39Å
173N88Confident83.6Confident96 Ų9644.1 Ų44.151%0.51325%0.246SC..THydrogen-bonded Turntrans-10618.9178.2-56-45.3000112R36 F171R36-N173 PolarHBondContact NH2-O 2.97Å; F171-N173 PolarHBondContact O-N 3.29Å
174T92Very high83.7Confident28 Ų2849.5 Ų49.517%0.17228%0.275CS..  trans-126.1130176.7-54.30000109.7F171 F252F171-T174 PolarHBondContact O-N 3.04Å; T174-F252 HydrophobicContact CG2-CE1 4.36Å; T174-F252 HydrophobicContact CG2-CZ 4.24Å
175I93.3Very high84.2Confident41 Ų4153 Ų5321%0.2129%0.289CS..  trans-114103.9175.9-58.5176.5000106.2Q75 A108Q75-I175 PolarHBondContact NE2-O 3.08Å; A108-I175 HydrophobicContact CB-CB 4.13Å; A108-I175 HydrophobicContact CB-CD1 4.43Å; A108-I175 HydrophobicContact CB-CG2 3.84Å
176D94.9Very high84.6Confident25 Ų2557.6 Ų57.613%0.13431%0.307CS..  trans-68.6146.4-176.9-60.7-33.3000112.4R145 A178 F211 R214R145-D176 VanDerWaalsContact CZ-O 3.29Å; R145-D176 PolarHBondContact NH1-O 3.22Å; D176-A178 VanDerWaalsContact C-N 3.26Å; D176-A178 WeakPolarHBondContact CB-O 3.32Å; D176-A178 PolarHBondContact O-N 3.32Å; D176-F211 HydrophobicContact CB-CD1 4.42Å; D176-F211 HydrophobicContact CB-CE1 3.94Å; D176-F211 HydrophobicContact CB-CE2 4.16Å; D176-F211 HydrophobicContact CB-CZ 3.82Å; D176-R214 IonicContact OD1-NH1 3.88Å; D176-R214 PolarHBondContact OD1-NH1 3.45Å; D176-R214 IonicContact OD2-CZ 3.28Å; D176-R214 IonicContact OD2-NH1 3.51Å; D176-R214 PolarHBondContact OD2-NH1 3.44Å; D176-R214 IonicContact OD2-NH2 2.72Å; D176-R214 PolarHBondContact OD2-NH2 2.89Å
177P96.5Very high85Confident7 Ų759.8 Ų59.85%0.04532%0.315CS..SBendtrans-66-24.2175.921.3-31.8000113.8E104 V141 R145 Y207 F211 E249E104-P177 HydrophobicContact CG-CB 4.45Å; E104-P177 WeakPolarHBondContact OE1-CD 3.42Å; V141-P177 HydrophobicContact CG1-CB 3.81Å; R145-P177 WeakPolarHBondContact CB-O 3.46Å; R145-P177 WeakPolarHBondContact CD-O 3.16Å; P177-Y207 HydrophobicContact CB-CD1 4.29Å; P177-Y207 HydrophobicContact CB-CE1 4.17Å; P177-Y207 HydrophobicContact CG-CD1 3.87Å; P177-Y207 HydrophobicContact CG-CE1 3.66Å; P177-F211 HydrophobicContact CG-CE2 4.01Å; P177-F211 HydrophobicContact CG-CZ 3.88Å; P177-E249 WeakPolarHBondContact CG-OE1 3.37Å
178A94.8Very high85.4Confident1 Ų162.9 Ų62.91%0.00833%0.333CS..SBendtrans-137.4159.6174.200000111.7D176 F204 Y207 R208 F211D176-A178 VanDerWaalsContact C-N 3.26Å; D176-A178 WeakPolarHBondContact CB-O 3.32Å; D176-A178 PolarHBondContact O-N 3.32Å; A178-F204 HydrophobicContact CB-CD2 3.9Å; A178-F204 HydrophobicContact CB-CE2 3.5Å; A178-F204 VanDerWaalsContact CB-CE2 3.5Å; A178-F204 HydrophobicContact CB-CZ 3.99Å; A178-Y207 HydrophobicContact CB-CD1 4.33Å; A178-R208 HydrophobicContact CB-CG 4.4Å; A178-F211 HydrophobicContact CB-CD2 3.98Å; A178-F211 HydrophobicContact CB-CE2 4Å; A178-F211 WeakPolarHBondContact O-CD2 3.42Å
179H90.7Very high85.9Confident12 Ų1260 Ų606%0.05632%0.315CS..PPolyproline II helixtrans-91.1150.817569.297.4000110.9W148 D159 F204 R208W148-H179 AromaticContact CD1-CD2 3.38Å; W148-H179 AromaticContact CD1-CE1 3.88Å; W148-H179 AromaticContact CD1-NE2 3.23Å; W148-H179 AromaticContact CD2-CD2 3.74Å; W148-H179 AromaticContact CE2-CD2 3.7Å; W148-H179 AromaticContact CE2-CG 3.85Å; W148-H179 AromaticContact CG-CD2 3.56Å; W148-H179 AromaticContact CG-NE2 3.79Å; W148-H179 HydrophobicContact CH2-CB 4.32Å; W148-H179 HydrophobicContact CZ2-CB 3.93Å; W148-H179 AromaticContact NE1-CD2 3.44Å; W148-H179 PolarHBondContact NE1-CD2 3.34Å; W148-H179 AromaticContact NE1-CE1 3.78Å; W148-H179 AromaticContact NE1-CG 3.72Å; W148-H179 AromaticContact NE1-ND1 3.96Å; W148-H179 AromaticContact NE1-NE2 3.52Å; D159-H179 IonicContact OD2-CE1 3.28Å; D159-H179 IonicContact OD2-ND1 2.76Å; H179-F204 AromaticContact CD2-CZ 3.9Å; H179-R208 PolarHBondContact CE1-NE 3.31Å; H179-R208 VanDerWaalsContact CE1-NE 3.25Å; H179-R208 PolarHBondContact CE1-NH2 2.98Å; H179-R208 WeakPolarHBondContact O-CB 3.33Å; H179-R208 WeakPolarHBondContact O-CG 3.4Å
180S91.9Very high86.4Confident3 Ų356 Ų562%0.02130%0.299CS..PPolyproline II helixtrans-65.1160.5171.451.90000112C164 T182 T212 D215C164-S180 PolarHBondContact SG-OG 3.1Å; S180-T182 PolarHBondContact O-N 3.39Å; S180-T212 WeakPolarHBondContact CB-OG1 3.43Å; S180-D215 WeakPolarHBondContact CB-OD2 3.44Å; S180-D215 PolarHBondContact OG-OD2 2.67Å
181F90.1Very high86.8Confident14 Ų1456.5 Ų56.56%0.06130%0.299CS..PPolyproline II helixtrans-61.1128.6163.5-67.2-76.1000110.5Y187 L192 L195 T205 R208 A209 T212F181-Y187 HydrophobicContact CB-CD2 4.36Å; F181-Y187 HydrophobicContact CD1-CD2 4.46Å; F181-Y187 AromaticContact CD1-CE2 3.85Å; F181-Y187 HydrophobicContact CD1-CE2 3.85Å; F181-Y187 HydrophobicContact CD2-CD2 4.25Å; F181-Y187 HydrophobicContact CD2-CE2 4.28Å; F181-Y187 HydrophobicContact CE1-CE2 4.09Å; F181-Y187 HydrophobicContact CE2-CE2 4.47Å; F181-Y187 HydrophobicContact CG-CD2 4.12Å; F181-Y187 AromaticContact CG-CE2 3.97Å; F181-Y187 HydrophobicContact CG-CE2 3.97Å; F181-Y187 HydrophobicContact CZ-CE2 4.4Å; F181-L192 HydrophobicContact CD2-CD2 3.88Å; F181-L192 HydrophobicContact CE2-CD2 4.3Å; F181-L195 HydrophobicContact CE2-CD1 4.12Å; F181-L195 HydrophobicContact CZ-CD1 4.22Å; F181-T205 HydrophobicContact CZ-CG2 4.13Å; F181-R208 VanDerWaalsContact CD1-NH2 3.31Å; F181-R208 HydrophobicContact CD2-CB 3.91Å; F181-R208 HydrophobicContact CE1-CB 4.19Å; F181-R208 VanDerWaalsContact CE1-CZ 3.45Å; F181-R208 HydrophobicContact CE2-CB 3.55Å; F181-R208 HydrophobicContact CG-CB 4.38Å; F181-R208 HydrophobicContact CZ-CB 3.69Å; F181-A209 HydrophobicContact CE2-CB 3.99Å; F181-T212 WeakPolarHBondContact CB-OG1 3.26Å; F181-T212 PolarHBondContact N-OG1 3.18Å
182T73.9Confident87.1Confident9 Ų954.6 Ų54.66%0.05529%0.291CS..  trans-129.5155.7176.955.40000109.9D159 S160 C164 S180D159-T182 WeakPolarHBondContact CB-OG1 3.46Å; D159-T182 PolarHBondContact OD1-OG1 3.4Å; D159-T182 PolarHBondContact OD2-OG1 3.25Å; D159-T182 VanDerWaalsContact OD2-OG1 3.06Å; S160-T182 WeakPolarHBondContact O-CB 3.41Å; S160-T182 WeakPolarHBondContact O-CG2 3.16Å; C164-T182 HydrophobicContact CB-CG2 3.91Å; S180-T182 PolarHBondContact O-N 3.39Å
183G62.5Low87.6Confident39 Ų3951.4 Ų51.440%0.40227%0.268SS..SBendtrans92.5-152.9174.900000114.6Q185G183-Q185 PolarHBondContact O-N 3.47Å; G183-Q185 VanDerWaalsContact O-N 3.14Å
184D51Low88.1Confident171 Ų17151.5 Ų51.591%0.91427%0.268SS*.SBendtrans-65.7-12.6-169.8-61.3-35000114.7Q186D184-Q186 VanDerWaalsContact C-N 3.31Å; D184-Q186 PolarHBondContact O-N 3.43Å
185Q66.6Low88.4Confident104 Ų10451.4 Ų51.449%0.48627%0.267SS..  trans-7980.5175.8-70.7-174.9-40.500110.4G183 Y187G183-Q185 PolarHBondContact O-N 3.47Å; G183-Q185 VanDerWaalsContact O-N 3.14Å; Q185-Y187 VanDerWaalsContact C-N 3.34Å; Q185-Y187 HydrophobicContact CB-CD2 4.17Å; Q185-Y187 HydrophobicContact CB-CE2 3.71Å; Q185-Y187 HydrophobicContact CG-CE2 4.42Å; Q185-Y187 PolarHBondContact O-N 2.65Å
186Q79.8Confident88.6Confident171 Ų17149.5 Ų49.580%0.79926%0.257SS*.  trans-77.785.2171.2-70.3-168.2-7.900110.4D184D184-Q186 VanDerWaalsContact C-N 3.31Å; D184-Q186 PolarHBondContact O-N 3.43Å
187Y92Very high88.8Confident64 Ų6450.3 Ų50.325%0.25126%0.26SS..  trans-73.5139.1165.4-63.7-74.5000110.5F181 Q185 Q191 L192 L195F181-Y187 HydrophobicContact CB-CD2 4.36Å; F181-Y187 HydrophobicContact CD1-CD2 4.46Å; F181-Y187 AromaticContact CD1-CE2 3.85Å; F181-Y187 HydrophobicContact CD1-CE2 3.85Å; F181-Y187 HydrophobicContact CD2-CD2 4.25Å; F181-Y187 HydrophobicContact CD2-CE2 4.28Å; F181-Y187 HydrophobicContact CE1-CE2 4.09Å; F181-Y187 HydrophobicContact CE2-CE2 4.47Å; F181-Y187 HydrophobicContact CG-CD2 4.12Å; F181-Y187 AromaticContact CG-CE2 3.97Å; F181-Y187 HydrophobicContact CG-CE2 3.97Å; F181-Y187 HydrophobicContact CZ-CE2 4.4Å; Q185-Y187 VanDerWaalsContact C-N 3.34Å; Q185-Y187 HydrophobicContact CB-CD2 4.17Å; Q185-Y187 HydrophobicContact CB-CE2 3.71Å; Q185-Y187 HydrophobicContact CG-CE2 4.42Å; Q185-Y187 PolarHBondContact O-N 2.65Å; Y187-Q191 HydrophobicContact CD1-CB 3.99Å; Y187-L192 HydrophobicContact CD2-CD2 4.14Å; Y187-L192 HydrophobicContact CG-CD2 4.09Å; Y187-L195 HydrophobicContact CD1-CD1 4.17Å; Y187-L195 HydrophobicContact CE1-CD1 3.9Å; Y187-L195 HydrophobicContact CE2-CD1 4.43Å
188T94.6Very high88.9Confident67 Ų6752 Ų5241%0.41127%0.269SS..  trans-73.3164.4164.477.40000110.4E190 Q191 L192T188-E190 WeakPolarHBondContact CB-OE2 3.45Å; T188-E190 PolarHBondContact O-N 3.3Å; T188-E190 PolarHBondContact OG1-N 3.09Å; T188-E190 PolarHBondContact OG1-OE2 2.62Å; T188-Q191 PolarHBondContact O-N 3.36Å; T188-Q191 VanDerWaalsContact O-N 3.14Å; T188-Q191 PolarHBondContact OG1-N 3.39Å; T188-L192 WeakPolarHBondContact O-CG 3.38Å; T188-L192 PolarHBondContact O-N 3.23Å
189D95.7Very high89Confident30 Ų3054.7 Ų54.716%0.1629%0.286CS..Hα-helixtrans-57.9-38.4176.8-51.6-33.1000111.3L192 H193 L213 K229 L233D189-L192 PolarHBondContact O-N 2.9Å; D189-H193 WeakPolarHBondContact O-CB 3.31Å; D189-H193 PolarHBondContact O-N 3.06Å; D189-L213 HydrophobicContact CB-CD2 4.21Å; D189-K229 IonicContact OD2-NZ 3.12Å; D189-K229 PolarHBondContact OD2-NZ 3.33Å; D189-L233 HydrophobicContact CB-CD1 3.48Å; D189-L233 VanDerWaalsContact CB-CD1 3.48Å
190E97.8Very high89.3Confident82 Ų8260.7 Ų60.738%0.38332%0.319SS..Hα-helixtrans-65.6-40.8177-60.375.4-165.200111.9T188 L192 H193 D194 K229T188-E190 WeakPolarHBondContact CB-OE2 3.45Å; T188-E190 PolarHBondContact O-N 3.3Å; T188-E190 PolarHBondContact OG1-N 3.09Å; T188-E190 PolarHBondContact OG1-OE2 2.62Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.16Å; E190-H193 WeakPolarHBondContact O-CB 3.48Å; E190-H193 PolarHBondContact O-N 3.27Å; E190-D194 PolarHBondContact O-N 2.89Å; E190-K229 WeakPolarHBondContact OE1-CE 3.24Å; E190-K229 IonicContact OE1-NZ 3.48Å; E190-K229 PolarHBondContact OE1-NZ 3.4Å; E190-K229 IonicContact OE2-NZ 2.79Å
191Q97.6Very high89.6Confident89 Ų8963.8 Ų63.842%0.41633%0.333SS..Hα-helixtrans-67.5-35.1176.9-69.3174.9-38.600112Y187 T188 D194 L195Y187-Q191 HydrophobicContact CD1-CB 3.99Å; T188-Q191 PolarHBondContact O-N 3.36Å; T188-Q191 VanDerWaalsContact O-N 3.14Å; T188-Q191 PolarHBondContact OG1-N 3.39Å; Q191-D194 PolarHBondContact O-N 2.73Å; Q191-L195 WeakPolarHBondContact O-CG 3.46Å; Q191-L195 PolarHBondContact O-N 2.92Å
192L97.4Very high89.9Confident0 Ų067.3 Ų67.30%035%0.352CS..Hα-helixtrans-66.6-42.4173.4-66.7168000110.9F181 Y187 T188 D189 E190 L195 L196 A209 T212 L213F181-L192 HydrophobicContact CD2-CD2 3.88Å; F181-L192 HydrophobicContact CE2-CD2 4.3Å; Y187-L192 HydrophobicContact CD2-CD2 4.14Å; Y187-L192 HydrophobicContact CG-CD2 4.09Å; T188-L192 WeakPolarHBondContact O-CG 3.38Å; T188-L192 PolarHBondContact O-N 3.23Å; D189-L192 PolarHBondContact O-N 2.9Å; E190-L192 VanDerWaalsContact C-N 3.32Å; E190-L192 PolarHBondContact O-N 3.16Å; L192-L195 PolarHBondContact O-N 3.03Å; L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 PolarHBondContact O-N 3.16Å; L192-A209 HydrophobicContact CD2-CB 4.27Å; L192-A209 WeakPolarHBondContact O-CB 3.44Å; L192-T212 HydrophobicContact CD1-CG2 3.41Å; L192-T212 VanDerWaalsContact CD1-CG2 3.41Å; L192-T212 HydrophobicContact CD2-CG2 3.87Å; L192-T212 HydrophobicContact CG-CG2 4.3Å; L192-L213 HydrophobicContact CB-CD1 4.21Å; L192-L213 HydrophobicContact CB-CD2 4.02Å; L192-L213 HydrophobicContact CB-CG 3.83Å; L192-L213 HydrophobicContact CD1-CD2 4.15Å; L192-L213 HydrophobicContact CD1-CG 4.23Å
193H98.4Very high91Very high27 Ų2767.8 Ų67.813%0.12536%0.355CS..Hα-helixtrans-58.4-46.6172.6169.4-91000111.8D189 E190 L195 L196 M197 L233 E236D189-H193 WeakPolarHBondContact O-CB 3.31Å; D189-H193 PolarHBondContact O-N 3.06Å; E190-H193 WeakPolarHBondContact O-CB 3.48Å; E190-H193 PolarHBondContact O-N 3.27Å; H193-L195 VanDerWaalsContact C-N 3.31Å; H193-L195 PolarHBondContact O-N 3.21Å; H193-L196 WeakPolarHBondContact O-CB 3.33Å; H193-L196 PolarHBondContact O-N 3.23Å; H193-L196 VanDerWaalsContact O-N 3.12Å; H193-M197 WeakPolarHBondContact NE2-CG 3.41Å; H193-M197 WeakPolarHBondContact O-CB 3.44Å; H193-M197 WeakPolarHBondContact O-CG 3.43Å; H193-M197 PolarHBondContact O-N 3.04Å; H193-L233 HydrophobicContact CB-CB 4.21Å; H193-L233 HydrophobicContact CB-CD2 3.91Å; H193-L233 HydrophobicContact CB-CG 4.43Å; H193-E236 IonicContact CE1-OE2 3.21Å; H193-E236 IonicContact NE2-OE2 2.76Å; H193-E236 PolarHBondContact NE2-OE2 2.91Å
194D98.5Very high92.6Very high98 Ų9866.8 Ų66.852%0.52434%0.339SS..Hα-helixtrans-60.8-41.3178.4-68.3-14.4000111.4E190 Q191 M197 D198E190-D194 PolarHBondContact O-N 2.89Å; Q191-D194 PolarHBondContact O-N 2.73Å; D194-M197 PolarHBondContact O-N 3.32Å; D194-D198 VanDerWaalsContact O-CB 3.26Å; D194-D198 WeakPolarHBondContact O-CB 3.17Å; D194-D198 PolarHBondContact O-N 2.92Å
195L98.1Very high94.8Very high26 Ų2659.8 Ų59.814%0.13630%0.302CS..Hα-helixtrans-63.7-42.2173.7-73.5172.7000112.3F181 Y187 Q191 L192 H193 M197 Q201 T205 R206 A209F181-L195 HydrophobicContact CE2-CD1 4.12Å; F181-L195 HydrophobicContact CZ-CD1 4.22Å; Y187-L195 HydrophobicContact CD1-CD1 4.17Å; Y187-L195 HydrophobicContact CE1-CD1 3.9Å; Y187-L195 HydrophobicContact CE2-CD1 4.43Å; Q191-L195 WeakPolarHBondContact O-CG 3.46Å; Q191-L195 PolarHBondContact O-N 2.92Å; L192-L195 PolarHBondContact O-N 3.03Å; H193-L195 VanDerWaalsContact C-N 3.31Å; H193-L195 PolarHBondContact O-N 3.21Å; L195-M197 VanDerWaalsContact C-N 3.3Å; L195-M197 PolarHBondContact O-N 2.91Å; L195-Q201 HydrophobicContact CD2-CG 3.96Å; L195-T205 HydrophobicContact CD2-CG2 4.14Å; L195-R206 WeakPolarHBondContact O-CG 3.24Å; L195-A209 HydrophobicContact CB-CB 3.79Å
196L98.6Very high96.3Very high0 Ų055.2 Ų55.20%028%0.281CS..Hα-helixtrans-61.2-40.9177.5176.356.9000111.5L192 H193 R206 A209 M210 L213 L234 L246 V250L192-L196 WeakPolarHBondContact O-CB 3.35Å; L192-L196 PolarHBondContact O-N 3.16Å; H193-L196 WeakPolarHBondContact O-CB 3.33Å; H193-L196 PolarHBondContact O-N 3.23Å; H193-L196 VanDerWaalsContact O-N 3.12Å; L196-R206 PolarHBondContact O-NE 2.96Å; L196-R206 PolarHBondContact O-NH2 3.44Å; L196-A209 HydrophobicContact CB-CB 4.41Å; L196-M210 HydrophobicContact CD1-CB 3.97Å; L196-L213 HydrophobicContact CD2-CD1 4.18Å; L196-L234 HydrophobicContact CD2-CD1 4.47Å; L196-L246 HydrophobicContact CD1-CD1 3.84Å; L196-L246 HydrophobicContact CD1-CD2 3.99Å; L196-L246 HydrophobicContact CD1-CG 4.17Å; L196-V250 HydrophobicContact CD1-CG2 4.39Å
197M98.6Very high97.1Very high42 Ų4247.1 Ų47.121%0.20724%0.243CC..Hα-helixtrans-87.8-15-174.2-64-58.2-79.200114.4H193 D194 L195 P199 A240 P241H193-M197 WeakPolarHBondContact NE2-CG 3.41Å; H193-M197 WeakPolarHBondContact O-CB 3.44Å; H193-M197 WeakPolarHBondContact O-CG 3.43Å; H193-M197 PolarHBondContact O-N 3.04Å; D194-M197 PolarHBondContact O-N 3.32Å; L195-M197 VanDerWaalsContact C-N 3.3Å; L195-M197 PolarHBondContact O-N 2.91Å; M197-P199 VanDerWaalsContact O-CD 3.24Å; M197-P199 WeakPolarHBondContact O-CD 3.12Å; M197-A240 HydrophobicContact SD-CB 3.77Å; M197-P241 WeakPolarHBondContact O-CD 3.47Å; M197-P241 VanDerWaalsContact O-CG 3.26Å; M197-P241 WeakPolarHBondContact O-CG 3.41Å
198D98.4Very high97.3Very high44 Ų4445.8 Ų45.824%0.23524%0.237CC..  trans-77.1111.4-178.2179.112.6000112.3D194 N200 Q201 R206D194-D198 VanDerWaalsContact O-CB 3.26Å; D194-D198 WeakPolarHBondContact O-CB 3.17Å; D194-D198 PolarHBondContact O-N 2.92Å; D198-N200 PolarHBondContact O-N 3.01Å; D198-N200 VanDerWaalsContact O-N 3.16Å; D198-N200 VanDerWaalsContact OD1-CB 3.31Å; D198-N200 WeakPolarHBondContact OD1-CB 3.41Å; D198-N200 PolarHBondContact OD1-N 2.97Å; D198-N200 PolarHBondContact OD1-ND2 3.25Å; D198-Q201 HydrophobicContact CB-CG 3.91Å; D198-Q201 PolarHBondContact O-N 2.68Å; D198-Q201 WeakPolarHBondContact OD2-CG 3.46Å; D198-Q201 PolarHBondContact OD2-NE2 3.33Å; D198-R206 PolarHBondContact O-NE 3.37Å
199P97Very high97.4Very high56 Ų5642.6 Ų42.636%0.36422%0.218SC..THydrogen-bonded Turntrans-69.5-9.4178.830.1-35.1000113.8M197 P241 N242M197-P199 VanDerWaalsContact O-CD 3.24Å; M197-P199 WeakPolarHBondContact O-CD 3.12Å; P199-P241 HydrophobicContact CB-CB 4.35Å; P199-P241 HydrophobicContact CB-CG 3.95Å; P199-P241 HydrophobicContact CG-CG 4.08Å; P199-N242 WeakPolarHBondContact CB-ND2 3.43Å
200N97.3Very high97.5Very high139 Ų13941.2 Ų41.274%0.74321%0.21SC*.THydrogen-bonded Turntrans-89.6-13.5177.4-52.5-71.8000112.7D198D198-N200 PolarHBondContact O-N 3.01Å; D198-N200 VanDerWaalsContact O-N 3.16Å; D198-N200 VanDerWaalsContact OD1-CB 3.31Å; D198-N200 WeakPolarHBondContact OD1-CB 3.41Å; D198-N200 PolarHBondContact OD1-N 2.97Å; D198-N200 PolarHBondContact OD1-ND2 3.25Å
201Q97.3Very high97.4Very high68 Ų6837.3 Ų37.332%0.31819%0.192SC..SBendtrans-73.1145.8169.9-64-53.2-45.400110.2L195 D198 T205 R206L195-Q201 HydrophobicContact CD2-CG 3.96Å; D198-Q201 HydrophobicContact CB-CG 3.91Å; D198-Q201 PolarHBondContact O-N 2.68Å; D198-Q201 WeakPolarHBondContact OD2-CG 3.46Å; D198-Q201 PolarHBondContact OD2-NE2 3.33Å; Q201-T205 HydrophobicContact CB-CG2 4.23Å; Q201-T205 HydrophobicContact CG-CG2 4.32Å; Q201-R206 HydrophobicContact CB-CG 3.8Å
202N96.1Very high97.3Very high87 Ų8733.5 Ų33.547%0.46518%0.175SC..  trans-63.5148.4169.773.577.5000110.1F204 T205 R206N202-F204 VanDerWaalsContact C-N 3.26Å; N202-F204 PolarHBondContact O-N 2.79Å; N202-F204 WeakPolarHBondContact OD1-CB 3.44Å; N202-F204 PolarHBondContact OD1-N 2.69Å; N202-T205 PolarHBondContact ND2-OG1 3.14Å; N202-T205 WeakPolarHBondContact O-CB 3.44Å; N202-T205 PolarHBondContact O-N 3.05Å; N202-T205 VanDerWaalsContact O-N 3.09Å; N202-T205 PolarHBondContact OD1-N 2.77Å; N202-T205 PolarHBondContact OD1-OG1 2.98Å; N202-R206 PolarHBondContact O-N 3.32Å
203L97.8Very high97.2Very high20 Ų2033.5 Ų33.511%0.10518%0.175CC..Hα-helixtrans-59.3-36.1-173.2-171.859000113E137 V141 T205 R206 Y207 L245 L246E137-L203 HydrophobicContact CB-CD2 3.56Å; E137-L203 HydrophobicContact CG-CD2 3.78Å; V141-L203 HydrophobicContact CG2-CB 4.37Å; V141-L203 HydrophobicContact CG2-CD2 3.75Å; V141-L203 HydrophobicContact CG2-CG 3.83Å; L203-T205 PolarHBondContact O-N 3.14Å; L203-R206 WeakPolarHBondContact O-CB 3.4Å; L203-R206 PolarHBondContact O-N 2.76Å; L203-R206 VanDerWaalsContact O-N 3.16Å; L203-Y207 HydrophobicContact CD1-CD2 3.91Å; L203-Y207 HydrophobicContact CD1-CE2 3.76Å; L203-Y207 HydrophobicContact CD2-CE2 4.32Å; L203-Y207 HydrophobicContact CG-CD2 3.92Å; L203-Y207 HydrophobicContact CG-CE2 3.84Å; L203-Y207 WeakPolarHBondContact O-CD2 3.26Å; L203-Y207 PolarHBondContact O-N 3.17Å; L203-L245 HydrophobicContact CD2-CD2 4.34Å; L203-L246 HydrophobicContact CD1-CB 4.01Å; L203-L246 HydrophobicContact CD1-CD1 4.5Å; L203-L246 HydrophobicContact CD1-CD2 4.39Å
204F96.8Very high97.1Very high18 Ų1832.4 Ų32.48%0.07917%0.17CC..Hα-helixtrans-61.7-46.1177.1-165.5-107.1000111.2V141 N144 R145 A178 H179 N202 R206 Y207 R208V141-F204 HydrophobicContact CG1-CD2 4.16Å; N144-F204 HydrophobicContact CB-CB 3.95Å; N144-F204 HydrophobicContact CB-CD1 3.86Å; N144-F204 HydrophobicContact CB-CD2 3.33Å; N144-F204 HydrophobicContact CB-CE1 4.14Å; N144-F204 HydrophobicContact CB-CE2 3.64Å; N144-F204 HydrophobicContact CB-CG 3.44Å; N144-F204 VanDerWaalsContact CB-CG 3.44Å; N144-F204 HydrophobicContact CB-CZ 4.03Å; R145-F204 HydrophobicContact CB-CE2 4.45Å; A178-F204 HydrophobicContact CB-CD2 3.9Å; A178-F204 HydrophobicContact CB-CE2 3.5Å; A178-F204 VanDerWaalsContact CB-CE2 3.5Å; A178-F204 HydrophobicContact CB-CZ 3.99Å; H179-F204 AromaticContact CD2-CZ 3.9Å; N202-F204 VanDerWaalsContact C-N 3.26Å; N202-F204 PolarHBondContact O-N 2.79Å; N202-F204 WeakPolarHBondContact OD1-CB 3.44Å; N202-F204 PolarHBondContact OD1-N 2.69Å; F204-R206 VanDerWaalsContact C-N 3.28Å; F204-R206 PolarHBondContact O-N 2.96Å; F204-Y207 WeakPolarHBondContact O-CB 3.49Å; F204-Y207 PolarHBondContact O-N 3.41Å; F204-R208 HydrophobicContact CD1-CG 4.1Å; F204-R208 HydrophobicContact CE1-CG 4.08Å; F204-R208 VanDerWaalsContact O-CG 3.27Å; F204-R208 WeakPolarHBondContact O-CG 3.38Å; F204-R208 PolarHBondContact O-N 2.83Å
205T95.9Very high96.8Very high23 Ų2327.9 Ų27.914%0.14115%0.145CC..Hα-helixtrans-55.5-41.7173.4-690000112.1F181 L195 Q201 N202 L203 R208 A209F181-T205 HydrophobicContact CZ-CG2 4.13Å; L195-T205 HydrophobicContact CD2-CG2 4.14Å; Q201-T205 HydrophobicContact CB-CG2 4.23Å; Q201-T205 HydrophobicContact CG-CG2 4.32Å; N202-T205 PolarHBondContact ND2-OG1 3.14Å; N202-T205 WeakPolarHBondContact O-CB 3.44Å; N202-T205 PolarHBondContact O-N 3.05Å; N202-T205 VanDerWaalsContact O-N 3.09Å; N202-T205 PolarHBondContact OD1-N 2.77Å; N202-T205 PolarHBondContact OD1-OG1 2.98Å; L203-T205 PolarHBondContact O-N 3.14Å; T205-R208 PolarHBondContact O-N 3.02Å; T205-A209 PolarHBondContact O-N 3.06Å
206R98.2Very high96.5Very high8 Ų830.6 Ų30.63%0.0315%0.154CC..Hα-helixtrans-65.3-43178.3-57176.668.7-171.63111.2L195 L196 D198 Q201 N202 L203 F204 A209 M210 P241 L246L195-R206 WeakPolarHBondContact O-CG 3.24Å; L196-R206 PolarHBondContact O-NE 2.96Å; L196-R206 PolarHBondContact O-NH2 3.44Å; D198-R206 PolarHBondContact O-NE 3.37Å; Q201-R206 HydrophobicContact CB-CG 3.8Å; N202-R206 PolarHBondContact O-N 3.32Å; L203-R206 WeakPolarHBondContact O-CB 3.4Å; L203-R206 PolarHBondContact O-N 2.76Å; L203-R206 VanDerWaalsContact O-N 3.16Å; F204-R206 VanDerWaalsContact C-N 3.28Å; F204-R206 PolarHBondContact O-N 2.96Å; R206-A209 WeakPolarHBondContact O-CB 3.17Å; R206-A209 PolarHBondContact O-N 3.4Å; R206-M210 PolarHBondContact O-N 2.86Å; R206-P241 PolarHBondContact NH1-O 3.14Å; R206-P241 PolarHBondContact NH2-O 2.93Å; R206-L246 HydrophobicContact CB-CD1 4.38Å; R206-L246 HydrophobicContact CB-CD2 4.08Å
207Y97.8Very high96.3Very high1 Ų130.6 Ų30.60%0.00415%0.154CC..Hα-helixtrans-59.8-44.7172.6-91.2-121.7000111.9V141 P177 A178 L203 F204 A209 M210 F211 L245 L246 E249V141-Y207 HydrophobicContact CG1-CD1 4.03Å; V141-Y207 HydrophobicContact CG1-CE1 4.21Å; V141-Y207 HydrophobicContact CG2-CD2 4.4Å; V141-Y207 HydrophobicContact CG2-CE2 4.34Å; P177-Y207 HydrophobicContact CB-CD1 4.29Å; P177-Y207 HydrophobicContact CB-CE1 4.17Å; P177-Y207 HydrophobicContact CG-CD1 3.87Å; P177-Y207 HydrophobicContact CG-CE1 3.66Å; A178-Y207 HydrophobicContact CB-CD1 4.33Å; L203-Y207 HydrophobicContact CD1-CD2 3.91Å; L203-Y207 HydrophobicContact CD1-CE2 3.76Å; L203-Y207 HydrophobicContact CD2-CE2 4.32Å; L203-Y207 HydrophobicContact CG-CD2 3.92Å; L203-Y207 HydrophobicContact CG-CE2 3.84Å; L203-Y207 WeakPolarHBondContact O-CD2 3.26Å; L203-Y207 PolarHBondContact O-N 3.17Å; F204-Y207 WeakPolarHBondContact O-CB 3.49Å; F204-Y207 PolarHBondContact O-N 3.41Å; Y207-A209 VanDerWaalsContact C-N 3.26Å; Y207-A209 PolarHBondContact O-N 3.05Å; Y207-M210 HydrophobicContact CD1-CE 4.15Å; Y207-M210 HydrophobicContact CG-CE 4.34Å; Y207-M210 WeakPolarHBondContact O-CB 3.39Å; Y207-M210 PolarHBondContact O-N 3.27Å; Y207-F211 AromaticContact CD1-CE2 3.92Å; Y207-F211 HydrophobicContact CD1-CE2 3.92Å; Y207-F211 WeakPolarHBondContact O-CD2 3.43Å; Y207-F211 PolarHBondContact O-N 3.22Å; Y207-L245 WeakPolarHBondContact OH-CG 3.21Å; Y207-L245 PolarHBondContact OH-O 2.87Å; Y207-L246 HydrophobicContact CD2-CD1 3.62Å; Y207-L246 HydrophobicContact CE2-CB 4.24Å; Y207-L246 HydrophobicContact CE2-CD1 3.63Å; Y207-E249 HydrophobicContact CD1-CG 4.26Å; Y207-E249 HydrophobicContact CE1-CB 4.11Å; Y207-E249 HydrophobicContact CE1-CG 3.58Å; Y207-E249 PolarHBondContact OH-OE2 2.94Å
208R95.5Very high96Very high37 Ų3729.3 Ų29.314%0.1415%0.148CC..Hα-helixtrans-59.6-38.9176.5-62.2-175.966.9-162-0.6111.4A178 H179 F181 F204 T205 T212A178-R208 HydrophobicContact CB-CG 4.4Å; H179-R208 PolarHBondContact CE1-NE 3.31Å; H179-R208 VanDerWaalsContact CE1-NE 3.25Å; H179-R208 PolarHBondContact CE1-NH2 2.98Å; H179-R208 WeakPolarHBondContact O-CB 3.33Å; H179-R208 WeakPolarHBondContact O-CG 3.4Å; F181-R208 VanDerWaalsContact CD1-NH2 3.31Å; F181-R208 HydrophobicContact CD2-CB 3.91Å; F181-R208 HydrophobicContact CE1-CB 4.19Å; F181-R208 VanDerWaalsContact CE1-CZ 3.45Å; F181-R208 HydrophobicContact CE2-CB 3.55Å; F181-R208 HydrophobicContact CG-CB 4.38Å; F181-R208 HydrophobicContact CZ-CB 3.69Å; F204-R208 HydrophobicContact CD1-CG 4.1Å; F204-R208 HydrophobicContact CE1-CG 4.08Å; F204-R208 VanDerWaalsContact O-CG 3.27Å; F204-R208 WeakPolarHBondContact O-CG 3.38Å; F204-R208 PolarHBondContact O-N 2.83Å; T205-R208 PolarHBondContact O-N 3.02Å; R208-T212 PolarHBondContact O-N 3.38Å; R208-T212 PolarHBondContact O-OG1 2.97Å
209A96.7Very high95.6Very high0 Ų030 Ų300%015%0.15CC..Hα-helixtrans-65.9-45.2177.700000112F181 L192 L195 L196 T205 R206 Y207 T212 L213F181-A209 HydrophobicContact CE2-CB 3.99Å; L192-A209 HydrophobicContact CD2-CB 4.27Å; L192-A209 WeakPolarHBondContact O-CB 3.44Å; L195-A209 HydrophobicContact CB-CB 3.79Å; L196-A209 HydrophobicContact CB-CB 4.41Å; T205-A209 PolarHBondContact O-N 3.06Å; R206-A209 WeakPolarHBondContact O-CB 3.17Å; R206-A209 PolarHBondContact O-N 3.4Å; Y207-A209 VanDerWaalsContact C-N 3.26Å; Y207-A209 PolarHBondContact O-N 3.05Å; A209-T212 PolarHBondContact O-N 3.17Å; A209-L213 PolarHBondContact O-N 3.12Å
210M97.8Very high95.3Very high0 Ų027.8 Ų27.80%014%0.136CC..Hα-helixtrans-57.7-49.9174.2177.1-167.268.300112.1L196 R206 Y207 T212 L213 R214 L234 L246 E249 V250 V253L196-M210 HydrophobicContact CD1-CB 3.97Å; R206-M210 PolarHBondContact O-N 2.86Å; Y207-M210 HydrophobicContact CD1-CE 4.15Å; Y207-M210 HydrophobicContact CG-CE 4.34Å; Y207-M210 WeakPolarHBondContact O-CB 3.39Å; Y207-M210 PolarHBondContact O-N 3.27Å; M210-T212 VanDerWaalsContact C-N 3.31Å; M210-T212 PolarHBondContact O-N 3.27Å; M210-L213 WeakPolarHBondContact O-CB 3.29Å; M210-L213 PolarHBondContact O-N 3.41Å; M210-L213 VanDerWaalsContact O-N 3.15Å; M210-R214 PolarHBondContact O-N 2.97Å; M210-L234 HydrophobicContact CB-CD1 4.37Å; M210-L234 HydrophobicContact CG-CD1 3.53Å; M210-L246 HydrophobicContact SD-CD1 4.36Å; M210-E249 HydrophobicContact CE-CB 4.08Å; M210-E249 HydrophobicContact CE-CG 3.2Å; M210-E249 HydrophobicContact SD-CB 3.94Å; M210-E249 HydrophobicContact SD-CG 3.68Å; M210-V250 HydrophobicContact CG-CG2 4.12Å; M210-V250 HydrophobicContact SD-CB 4.42Å; M210-V250 HydrophobicContact SD-CG2 3.7Å; M210-V253 HydrophobicContact CE-CG2 4.09Å; M210-V253 HydrophobicContact CG-CG2 4.45Å; M210-V253 HydrophobicContact SD-CG2 4.16Å
211F95.7Very high94.9Very high0 Ų024.7 Ų24.70%012%0.122CC..Hα-helixtrans-66.6-31.9177.7-71.7-59000112.6D176 P177 A178 Y207 R214 D215 E249 V253D176-F211 HydrophobicContact CB-CD1 4.42Å; D176-F211 HydrophobicContact CB-CE1 3.94Å; D176-F211 HydrophobicContact CB-CE2 4.16Å; D176-F211 HydrophobicContact CB-CZ 3.82Å; P177-F211 HydrophobicContact CG-CE2 4.01Å; P177-F211 HydrophobicContact CG-CZ 3.88Å; A178-F211 HydrophobicContact CB-CD2 3.98Å; A178-F211 HydrophobicContact CB-CE2 4Å; A178-F211 WeakPolarHBondContact O-CD2 3.42Å; Y207-F211 AromaticContact CD1-CE2 3.92Å; Y207-F211 HydrophobicContact CD1-CE2 3.92Å; Y207-F211 WeakPolarHBondContact O-CD2 3.43Å; Y207-F211 PolarHBondContact O-N 3.22Å; F211-R214 VanDerWaalsContact CD1-CZ 3.49Å; F211-R214 WeakPolarHBondContact O-CB 3.49Å; F211-R214 PolarHBondContact O-N 3.42Å; F211-D215 PolarHBondContact O-N 2.72Å; F211-E249 HydrophobicContact CZ-CG 4.33Å; F211-V253 HydrophobicContact CD1-CG2 4.25Å; F211-V253 HydrophobicContact CE1-CG2 3.76Å
212T94.8Very high94.5Very high10 Ų1025.4 Ų25.46%0.06113%0.128CC..Hα-helixtrans-65.3-42.3170.5-60.10000111.7S180 F181 L192 R208 A209 M210 R214 D215 R216S180-T212 WeakPolarHBondContact CB-OG1 3.43Å; F181-T212 WeakPolarHBondContact CB-OG1 3.26Å; F181-T212 PolarHBondContact N-OG1 3.18Å; L192-T212 HydrophobicContact CD1-CG2 3.41Å; L192-T212 VanDerWaalsContact CD1-CG2 3.41Å; L192-T212 HydrophobicContact CD2-CG2 3.87Å; L192-T212 HydrophobicContact CG-CG2 4.3Å; R208-T212 PolarHBondContact O-N 3.38Å; R208-T212 PolarHBondContact O-OG1 2.97Å; A209-T212 PolarHBondContact O-N 3.17Å; M210-T212 VanDerWaalsContact C-N 3.31Å; M210-T212 PolarHBondContact O-N 3.27Å; T212-R214 VanDerWaalsContact C-N 3.33Å; T212-R214 PolarHBondContact O-N 3.3Å; T212-D215 PolarHBondContact O-N 3.19Å; T212-R216 WeakPolarHBondContact O-CG 3.35Å; T212-R216 PolarHBondContact O-N 3.08Å
213L96Very high94.2Very high0 Ų025.7 Ų25.70%013%0.129CC..Hα-helixtrans-60.9-42.2174.4-76.1168000111.5D189 L192 L196 A209 M210 D215 R216 V217 P230 L233 L234D189-L213 HydrophobicContact CB-CD2 4.21Å; L192-L213 HydrophobicContact CB-CD1 4.21Å; L192-L213 HydrophobicContact CB-CD2 4.02Å; L192-L213 HydrophobicContact CB-CG 3.83Å; L192-L213 HydrophobicContact CD1-CD2 4.15Å; L192-L213 HydrophobicContact CD1-CG 4.23Å; L196-L213 HydrophobicContact CD2-CD1 4.18Å; A209-L213 PolarHBondContact O-N 3.12Å; M210-L213 WeakPolarHBondContact O-CB 3.29Å; M210-L213 PolarHBondContact O-N 3.41Å; M210-L213 VanDerWaalsContact O-N 3.15Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-D215 PolarHBondContact O-N 3.04Å; L213-R216 WeakPolarHBondContact O-CB 3.49Å; L213-R216 PolarHBondContact O-N 2.99Å; L213-V217 WeakPolarHBondContact O-CG2 3.47Å; L213-V217 PolarHBondContact O-N 3.05Å; L213-P230 HydrophobicContact CD2-CB 4.34Å; L213-L233 HydrophobicContact CD2-CB 4.38Å; L213-L234 HydrophobicContact CB-CB 4.31Å; L213-L234 HydrophobicContact CD1-CB 4.48Å
214R95.4Very high93.7Very high3 Ų332.8 Ų32.81%0.01116%0.159CC..Hα-helixtrans-53.7-52.2171.3-177-161.763.7-165.7-11.9111.3D176 M210 F211 T212 R216 V217 L218 V253 L257D176-R214 IonicContact OD1-NH1 3.88Å; D176-R214 PolarHBondContact OD1-NH1 3.45Å; D176-R214 IonicContact OD2-CZ 3.28Å; D176-R214 IonicContact OD2-NH1 3.51Å; D176-R214 PolarHBondContact OD2-NH1 3.44Å; D176-R214 IonicContact OD2-NH2 2.72Å; D176-R214 PolarHBondContact OD2-NH2 2.89Å; M210-R214 PolarHBondContact O-N 2.97Å; F211-R214 VanDerWaalsContact CD1-CZ 3.49Å; F211-R214 WeakPolarHBondContact O-CB 3.49Å; F211-R214 PolarHBondContact O-N 3.42Å; T212-R214 VanDerWaalsContact C-N 3.33Å; T212-R214 PolarHBondContact O-N 3.3Å; R214-R216 PolarHBondContact O-N 3.14Å; R214-V217 WeakPolarHBondContact O-CA 3.49Å; R214-V217 WeakPolarHBondContact O-CB 3.18Å; R214-V217 PolarHBondContact O-N 2.94Å; R214-L218 HydrophobicContact CG-CD1 4.2Å; R214-L218 HydrophobicContact CG-CG 4.45Å; R214-L218 WeakPolarHBondContact O-CG 3.32Å; R214-L218 PolarHBondContact O-N 3.3Å; R214-V253 HydrophobicContact CB-CG1 3.56Å; R214-V253 HydrophobicContact CG-CG1 3.57Å; R214-L257 HydrophobicContact CB-CD1 4.39Å; R214-L257 HydrophobicContact CG-CD1 4.07Å; R214-L257 HydrophobicContact CG-CD2 3.63Å; R214-L257 HydrophobicContact CG-CG 3.97Å
215D93Very high93.3Very high3 Ų335.9 Ų35.92%0.01618%0.18CC..Hα-helixtrans-62.6-32.1-177.5-62.8-6.1000111.3S180 F211 T212 L213 L218 Q219S180-D215 WeakPolarHBondContact CB-OD2 3.44Å; S180-D215 PolarHBondContact OG-OD2 2.67Å; F211-D215 PolarHBondContact O-N 2.72Å; T212-D215 PolarHBondContact O-N 3.19Å; L213-D215 VanDerWaalsContact C-N 3.35Å; L213-D215 PolarHBondContact O-N 3.04Å; D215-L218 PolarHBondContact O-N 2.98Å; D215-Q219 VanDerWaalsContact O-CB 3.32Å; D215-Q219 WeakPolarHBondContact O-CB 3.4Å; D215-Q219 PolarHBondContact O-N 3.5Å
216R92.7Very high92.9Very high83 Ų8338.5 Ų38.531%0.31320%0.199SC..Hα-helixtrans-65.4-41.6171.2-65.4-63.5-176.2-170.80.9112.6T212 L213 R214 Q219 A220 P230T212-R216 WeakPolarHBondContact O-CG 3.35Å; T212-R216 PolarHBondContact O-N 3.08Å; L213-R216 WeakPolarHBondContact O-CB 3.49Å; L213-R216 PolarHBondContact O-N 2.99Å; R214-R216 PolarHBondContact O-N 3.14Å; R216-Q219 PolarHBondContact O-N 3.48Å; R216-A220 WeakPolarHBondContact O-CB 3.5Å; R216-A220 PolarHBondContact O-N 3.33Å; R216-P230 HydrophobicContact CB-CB 3.97Å; R216-P230 HydrophobicContact CB-CG 4.34Å
217V94.3Very high92.6Very high1 Ų138.6 Ų38.61%0.00620%0.2CC..Hα-helixtrans-60.3-50.1174175.60000110.1L213 R214 Q219 A220 V221 P227 P230 A231 L257 V259L213-V217 WeakPolarHBondContact O-CG2 3.47Å; L213-V217 PolarHBondContact O-N 3.05Å; R214-V217 WeakPolarHBondContact O-CA 3.49Å; R214-V217 WeakPolarHBondContact O-CB 3.18Å; R214-V217 PolarHBondContact O-N 2.94Å; V217-Q219 VanDerWaalsContact C-N 3.32Å; V217-Q219 PolarHBondContact O-N 3Å; V217-A220 WeakPolarHBondContact O-CB 3.12Å; V217-A220 PolarHBondContact O-N 2.9Å; V217-A220 VanDerWaalsContact O-N 3.15Å; V217-V221 WeakPolarHBondContact O-CG2 3.35Å; V217-V221 PolarHBondContact O-N 2.94Å; V217-P227 HydrophobicContact CG1-CB 3.89Å; V217-P230 HydrophobicContact CG2-CB 3.82Å; V217-P230 HydrophobicContact CG2-CG 3.87Å; V217-A231 HydrophobicContact CG2-CB 3.9Å; V217-L257 HydrophobicContact CB-CD1 4.02Å; V217-L257 HydrophobicContact CB-CD2 3.86Å; V217-L257 HydrophobicContact CG1-CB 4.34Å; V217-L257 HydrophobicContact CG1-CD1 4.01Å; V217-L257 HydrophobicContact CG1-CD2 3.67Å; V217-L257 HydrophobicContact CG1-CG 4.22Å; V217-L257 HydrophobicContact CG2-CD1 4.07Å; V217-V259 HydrophobicContact CG1-CG2 3.71Å
218L92.1Very high92.4Very high14 Ų1441.7 Ų41.77%0.07322%0.215CC..Hα-helixtrans-59.6-43179.2-63.5174.7000111.9L166 A167 L170 F171 R214 D215 V221 I222 L257L166-L218 HydrophobicContact CD2-CB 3.72Å; L166-L218 HydrophobicContact CG-CB 4.28Å; A167-L218 HydrophobicContact CB-CD1 4.25Å; L170-L218 HydrophobicContact CD1-CB 3.95Å; L170-L218 HydrophobicContact CD1-CD1 4.02Å; L170-L218 HydrophobicContact CD1-CD2 3.82Å; L170-L218 HydrophobicContact CD1-CG 4.13Å; F171-L218 HydrophobicContact CD2-CD1 4.49Å; F171-L218 HydrophobicContact CE2-CD1 3.76Å; F171-L218 HydrophobicContact CE2-CD2 4.02Å; F171-L218 HydrophobicContact CE2-CG 4.48Å; F171-L218 HydrophobicContact CZ-CD2 3.96Å; R214-L218 HydrophobicContact CG-CD1 4.2Å; R214-L218 HydrophobicContact CG-CG 4.45Å; R214-L218 WeakPolarHBondContact O-CG 3.32Å; R214-L218 PolarHBondContact O-N 3.3Å; D215-L218 PolarHBondContact O-N 2.98Å; L218-V221 PolarHBondContact O-N 3.42Å; L218-I222 PolarHBondContact O-N 2.85Å; L218-L257 HydrophobicContact CD2-CD2 3.48Å; L218-L257 VanDerWaalsContact CD2-CD2 3.48Å; L218-L257 HydrophobicContact CG-CD2 3.75Å
219Q90.1Very high92.3Very high58 Ų5845 Ų4527%0.27123%0.23SC..Hα-helixtrans-62.3-44176.4-172.660.856.800111.1L166 D215 R216 V217 V221 I222 D223L166-Q219 HydrophobicContact CD2-CB 4.2Å; D215-Q219 VanDerWaalsContact O-CB 3.32Å; D215-Q219 WeakPolarHBondContact O-CB 3.4Å; D215-Q219 PolarHBondContact O-N 3.5Å; R216-Q219 PolarHBondContact O-N 3.48Å; V217-Q219 VanDerWaalsContact C-N 3.32Å; V217-Q219 PolarHBondContact O-N 3Å; Q219-V221 VanDerWaalsContact C-N 3.32Å; Q219-V221 PolarHBondContact O-N 3.28Å; Q219-I222 PolarHBondContact O-N 2.96Å; Q219-D223 PolarHBondContact NE2-OD1 3.4Å; Q219-D223 PolarHBondContact NE2-OD2 2.92Å; Q219-D223 WeakPolarHBondContact O-CB 3.41Å; Q219-D223 VanDerWaalsContact O-CG 3.31Å; Q219-D223 PolarHBondContact O-N 3.48Å
220A91.1Very high92.3Very high10 Ų1045.4 Ų45.48%0.08323%0.233CC..Hα-helixtrans-60.6-40.9177.400000112.3R216 V217 D223 K224 T225 P227R216-A220 WeakPolarHBondContact O-CB 3.5Å; R216-A220 PolarHBondContact O-N 3.33Å; V217-A220 WeakPolarHBondContact O-CB 3.12Å; V217-A220 PolarHBondContact O-N 2.9Å; V217-A220 VanDerWaalsContact O-N 3.15Å; A220-D223 PolarHBondContact O-N 2.91Å; A220-K224 PolarHBondContact O-N 2.97Å; A220-K224 VanDerWaalsContact O-N 3.07Å; A220-T225 VanDerWaalsContact CA-OG1 3.3Å; A220-T225 WeakPolarHBondContact CA-OG1 3.36Å; A220-T225 WeakPolarHBondContact CB-OG1 3.24Å; A220-T225 PolarHBondContact O-N 2.89Å; A220-T225 PolarHBondContact O-OG1 3.05Å; A220-T225 VanDerWaalsContact O-OG1 3.13Å; A220-P227 HydrophobicContact CB-CB 4.24Å
221V88.4Confident92.3Very high75 Ų7545.4 Ų45.446%0.45523%0.233SC..Hα-helixtrans-62.2-47.1175.2172.50000111.2V217 L218 Q219 D223 K224 P227V217-V221 WeakPolarHBondContact O-CG2 3.35Å; V217-V221 PolarHBondContact O-N 2.94Å; L218-V221 PolarHBondContact O-N 3.42Å; Q219-V221 VanDerWaalsContact C-N 3.32Å; Q219-V221 PolarHBondContact O-N 3.28Å; V221-D223 VanDerWaalsContact C-N 3.35Å; V221-D223 PolarHBondContact O-N 3.43Å; V221-K224 PolarHBondContact O-N 3.15Å; V221-K224 VanDerWaalsContact O-N 3.1Å; V221-P227 HydrophobicContact CG2-CB 4.1Å; V221-P227 HydrophobicContact CG2-CG 4.27Å
222I87.7Confident92.4Very high83 Ų8346.1 Ų46.143%0.42624%0.24SC..Hα-helixtrans-61.6-44.2177.7-75.2167.6000111.5L166 L170 L218 Q219 K224L166-I222 HydrophobicContact CD1-CD1 3.3Å; L166-I222 HydrophobicContact CD2-CD1 4.24Å; L166-I222 HydrophobicContact CG-CD1 4.36Å; L170-I222 HydrophobicContact CD1-CD1 4.14Å; L218-I222 PolarHBondContact O-N 2.85Å; Q219-I222 PolarHBondContact O-N 2.96Å; I222-K224 PolarHBondContact O-N 2.97Å
223D89.5Confident92.5Very high93 Ų9346.8 Ų46.850%0.49724%0.243SC..THydrogen-bonded Turntrans-74.1-3.2179.6-66.6-21.5000112.5Q219 A220 V221 T225Q219-D223 PolarHBondContact NE2-OD1 3.4Å; Q219-D223 PolarHBondContact NE2-OD2 2.92Å; Q219-D223 WeakPolarHBondContact O-CB 3.41Å; Q219-D223 VanDerWaalsContact O-CG 3.31Å; Q219-D223 PolarHBondContact O-N 3.48Å; A220-D223 PolarHBondContact O-N 2.91Å; V221-D223 VanDerWaalsContact C-N 3.35Å; V221-D223 PolarHBondContact O-N 3.43Å; D223-T225 HydrophobicContact CB-CG2 4.13Å; D223-T225 PolarHBondContact O-N 2.98Å
224K87.2Confident92.7Very high168 Ų16846.8 Ų46.873%0.7324%0.243SC*.THydrogen-bonded Turntrans54.939.1-176.6-55.1-178.2-179.7-176.60112A220 V221 I222A220-K224 PolarHBondContact O-N 2.97Å; A220-K224 VanDerWaalsContact O-N 3.07Å; V221-K224 PolarHBondContact O-N 3.15Å; V221-K224 VanDerWaalsContact O-N 3.1Å; I222-K224 PolarHBondContact O-N 2.97Å
225T89.1Confident92.8Very high84 Ų8446.7 Ų46.752%0.51524%0.243SC..SBendtrans-104.8-179.2171.562.90000109.8A220 D223 P227A220-T225 VanDerWaalsContact CA-OG1 3.3Å; A220-T225 WeakPolarHBondContact CA-OG1 3.36Å; A220-T225 WeakPolarHBondContact CB-OG1 3.24Å; A220-T225 PolarHBondContact O-N 2.89Å; A220-T225 PolarHBondContact O-OG1 3.05Å; A220-T225 VanDerWaalsContact O-OG1 3.13Å; D223-T225 HydrophobicContact CB-CG2 4.13Å; D223-T225 PolarHBondContact O-N 2.98Å; T225-P227 WeakPolarHBondContact O-CD 3.33Å
226S88.1Confident93.1Very high78 Ų7850.9 Ų50.955%0.54526%0.263SS..  trans-78110.5-175.6169.70000111E228S226-E228 VanDerWaalsContact C-N 3.27Å; S226-E228 WeakPolarHBondContact CA-OE2 3.36Å; S226-E228 WeakPolarHBondContact CB-OE2 3.41Å; S226-E228 PolarHBondContact OG-OE2 3.06Å
227P92.5Very high93.4Very high9 Ų947 Ų476%0.05825%0.248CC..  trans-77-10.1174.731.5-36.6000113.9V217 A220 V221 T225 K229 P230 A231V217-P227 HydrophobicContact CG1-CB 3.89Å; A220-P227 HydrophobicContact CB-CB 4.24Å; V221-P227 HydrophobicContact CG2-CB 4.1Å; V221-P227 HydrophobicContact CG2-CG 4.27Å; T225-P227 WeakPolarHBondContact O-CD 3.33Å; P227-K229 VanDerWaalsContact C-N 3.31Å; P227-K229 PolarHBondContact O-N 3.12Å; P227-P230 VanDerWaalsContact O-CD 3.25Å; P227-P230 WeakPolarHBondContact O-CD 3.26Å; P227-P230 WeakPolarHBondContact O-CG 3.34Å; P227-A231 WeakPolarHBondContact O-CB 3.4Å; P227-A231 PolarHBondContact O-N 3.43Å
228E92.4Very high93.6Very high67 Ų6747.1 Ų47.131%0.31325%0.249SC..Hα-helixtrans-63.4-34.4-165.1-67.978.1-176.700112.8S226 G232S226-E228 VanDerWaalsContact C-N 3.27Å; S226-E228 WeakPolarHBondContact CA-OE2 3.36Å; S226-E228 WeakPolarHBondContact CB-OE2 3.41Å; S226-E228 PolarHBondContact OG-OE2 3.06Å; E228-G232 PolarHBondContact O-N 2.93Å
229K94.6Very high93.9Very high105 Ų10551 Ų5146%0.45727%0.273SS..Hα-helixtrans-66-60.6178.7-179.3-169.5175-154.50112.2D189 E190 P227 A231 G232 L233D189-K229 IonicContact OD2-NZ 3.12Å; D189-K229 PolarHBondContact OD2-NZ 3.33Å; E190-K229 WeakPolarHBondContact OE1-CE 3.24Å; E190-K229 IonicContact OE1-NZ 3.48Å; E190-K229 PolarHBondContact OE1-NZ 3.4Å; E190-K229 IonicContact OE2-NZ 2.79Å; P227-K229 VanDerWaalsContact C-N 3.31Å; P227-K229 PolarHBondContact O-N 3.12Å; K229-A231 VanDerWaalsContact C-N 3.25Å; K229-A231 PolarHBondContact O-N 2.69Å; K229-G232 PolarHBondContact O-N 3.26Å; K229-L233 HydrophobicContact CG-CD1 4.44Å; K229-L233 PolarHBondContact O-N 3.16Å; K229-L233 VanDerWaalsContact O-N 3.09Å
230P95.6Very high94.3Very high9 Ų948.3 Ų48.36%0.05826%0.261CS..Hα-helixtrans-63.7-31.8178.223.9-33.3000112.3L213 R216 V217 P227 L234L213-P230 HydrophobicContact CD2-CB 4.34Å; R216-P230 HydrophobicContact CB-CB 3.97Å; R216-P230 HydrophobicContact CB-CG 4.34Å; V217-P230 HydrophobicContact CG2-CB 3.82Å; V217-P230 HydrophobicContact CG2-CG 3.87Å; P227-P230 VanDerWaalsContact O-CD 3.25Å; P227-P230 WeakPolarHBondContact O-CD 3.26Å; P227-P230 WeakPolarHBondContact O-CG 3.34Å; P230-L234 WeakPolarHBondContact O-CB 3.42Å; P230-L234 PolarHBondContact O-N 3.42Å
231A97.1Very high94.6Very high0 Ų049.9 Ų49.90%027%0.27CS..Hα-helixtrans-67.3-38.6174.800000112.6V217 P227 K229 L234 A235 V259 T262V217-A231 HydrophobicContact CG2-CB 3.9Å; P227-A231 WeakPolarHBondContact O-CB 3.4Å; P227-A231 PolarHBondContact O-N 3.43Å; K229-A231 VanDerWaalsContact C-N 3.25Å; K229-A231 PolarHBondContact O-N 2.69Å; A231-L234 PolarHBondContact O-N 2.93Å; A231-A235 WeakPolarHBondContact O-CB 3.48Å; A231-A235 PolarHBondContact O-N 3.12Å; A231-V259 HydrophobicContact CB-CB 4.04Å; A231-V259 HydrophobicContact CB-CG1 3.77Å; A231-V259 HydrophobicContact CB-CG2 4.05Å; A231-T262 HydrophobicContact CB-CG2 3.98Å
232G98Very high94.8Very high15 Ų1552.2 Ų52.216%0.15528%0.28CS..Hα-helixtrans-63.9-46.8175.300000112E228 K229 L234 A235 E236E228-G232 PolarHBondContact O-N 2.93Å; K229-G232 PolarHBondContact O-N 3.26Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.47Å; G232-A235 WeakPolarHBondContact O-CB 3.32Å; G232-A235 PolarHBondContact O-N 2.9Å; G232-A235 VanDerWaalsContact O-N 3.09Å; G232-E236 PolarHBondContact O-N 3.37Å
233L98.6Very high95.3Very high24 Ų2448.4 Ų48.413%0.12626%0.261CS..Hα-helixtrans-62.4-39.4175.8-69.9171000112.2D189 H193 L213 K229 E236D189-L233 HydrophobicContact CB-CD1 3.48Å; D189-L233 VanDerWaalsContact CB-CD1 3.48Å; H193-L233 HydrophobicContact CB-CB 4.21Å; H193-L233 HydrophobicContact CB-CD2 3.91Å; H193-L233 HydrophobicContact CB-CG 4.43Å; L213-L233 HydrophobicContact CD2-CB 4.38Å; K229-L233 HydrophobicContact CG-CD1 4.44Å; K229-L233 PolarHBondContact O-N 3.16Å; K229-L233 VanDerWaalsContact O-N 3.09Å; L233-E236 PolarHBondContact O-N 2.9Å
234L98.6Very high95.7Very high0 Ų044.5 Ų44.50%024%0.242CC..Hα-helixtrans-63-42.617217762.9000111.4L196 M210 L213 P230 A231 G232 E236 G237 V250 V253 L254 L257L196-L234 HydrophobicContact CD2-CD1 4.47Å; M210-L234 HydrophobicContact CB-CD1 4.37Å; M210-L234 HydrophobicContact CG-CD1 3.53Å; L213-L234 HydrophobicContact CB-CB 4.31Å; L213-L234 HydrophobicContact CD1-CB 4.48Å; P230-L234 WeakPolarHBondContact O-CB 3.42Å; P230-L234 PolarHBondContact O-N 3.42Å; A231-L234 PolarHBondContact O-N 2.93Å; G232-L234 VanDerWaalsContact C-N 3.33Å; G232-L234 PolarHBondContact O-N 3.47Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.41Å; L234-G237 WeakPolarHBondContact O-CA 3.48Å; L234-G237 PolarHBondContact O-N 2.92Å; L234-V250 HydrophobicContact CD1-CG1 4.23Å; L234-V250 HydrophobicContact CD1-CG2 4.47Å; L234-V250 HydrophobicContact CG-CG1 4.45Å; L234-V250 WeakPolarHBondContact O-CG1 3.34Å; L234-V253 HydrophobicContact CD2-CB 4.48Å; L234-V253 HydrophobicContact CD2-CG1 3.64Å; L234-L254 HydrophobicContact CB-CD2 4.41Å; L234-L254 HydrophobicContact CD2-CD2 3.8Å; L234-L254 HydrophobicContact CD2-CG 4.28Å; L234-L254 HydrophobicContact CG-CD2 3.89Å; L234-L254 HydrophobicContact CG-CG 4.29Å; L234-L257 HydrophobicContact CD2-CD1 3.4Å; L234-L257 VanDerWaalsContact CD2-CD1 3.4Å
235A98.7Very high96.3Very high1 Ų136.6 Ų36.61%0.00821%0.207CC..Hα-helixtrans-66.6-28.4179.700000113.9A231 G232 G237 L238 L254 T262 Q265A231-A235 WeakPolarHBondContact O-CB 3.48Å; A231-A235 PolarHBondContact O-N 3.12Å; G232-A235 WeakPolarHBondContact O-CB 3.32Å; G232-A235 PolarHBondContact O-N 2.9Å; G232-A235 VanDerWaalsContact O-N 3.09Å; A235-G237 PolarHBondContact O-N 3.03Å; A235-L238 WeakPolarHBondContact O-CB 3.19Å; A235-L238 WeakPolarHBondContact O-CG 3.49Å; A235-L238 PolarHBondContact O-N 2.99Å; A235-L238 VanDerWaalsContact O-N 3.1Å; A235-L254 HydrophobicContact CB-CD1 4.13Å; A235-L254 HydrophobicContact CB-CD2 4.15Å; A235-T262 HydrophobicContact CB-CG2 4.02Å; A235-Q265 HydrophobicContact CB-CB 4.06Å; A235-Q265 HydrophobicContact CB-CG 3.93Å
236E98.7Very high96.7Very high92 Ų9232.6 Ų32.643%0.4318%0.182SC..Hα-helixtrans-60.9-26.2168.6-70.8178.5-136.300111.9H193 G232 L233 L234 L238 T239H193-E236 IonicContact CE1-OE2 3.21Å; H193-E236 IonicContact NE2-OE2 2.76Å; H193-E236 PolarHBondContact NE2-OE2 2.91Å; G232-E236 PolarHBondContact O-N 3.37Å; L233-E236 PolarHBondContact O-N 2.9Å; L234-E236 VanDerWaalsContact C-N 3.32Å; L234-E236 PolarHBondContact O-N 3.41Å; E236-L238 PolarHBondContact O-N 3.43Å; E236-L238 VanDerWaalsContact O-N 3.14Å; E236-T239 PolarHBondContact O-N 3.04Å; E236-T239 PolarHBondContact O-OG1 3.32Å
237G98.7Very high97.3Very high0 Ų030.6 Ų30.60%016%0.163CC..G310 helixtrans-58.4-19.6171.600000114.9L234 A235 T239 A240L234-G237 WeakPolarHBondContact O-CA 3.48Å; L234-G237 PolarHBondContact O-N 2.92Å; A235-G237 PolarHBondContact O-N 3.03Å; G237-T239 PolarHBondContact O-N 3.44Å; G237-A240 WeakPolarHBondContact O-CB 3.28Å; G237-A240 PolarHBondContact O-N 3.27Å
238L98.8Very high97.6Very high5 Ų530.4 Ų30.43%0.02616%0.162CC..G310 helixtrans-65.5-5.3169.6-67.3170.7000112.8A235 E236 R247 V250 A251 L254 Q265 L266A235-L238 WeakPolarHBondContact O-CB 3.19Å; A235-L238 WeakPolarHBondContact O-CG 3.49Å; A235-L238 PolarHBondContact O-N 2.99Å; A235-L238 VanDerWaalsContact O-N 3.1Å; E236-L238 PolarHBondContact O-N 3.43Å; E236-L238 VanDerWaalsContact O-N 3.14Å; L238-R247 WeakPolarHBondContact O-CD 3.42Å; L238-V250 HydrophobicContact CD2-CB 4.35Å; L238-V250 HydrophobicContact CD2-CG1 3.93Å; L238-V250 HydrophobicContact CG-CG1 3.89Å; L238-A251 HydrophobicContact CD2-CB 3.77Å; L238-L254 HydrophobicContact CD1-CD1 3.73Å; L238-L254 HydrophobicContact CD2-CD1 4.25Å; L238-L254 HydrophobicContact CG-CD1 3.94Å; L238-Q265 HydrophobicContact CD1-CB 3.89Å; L238-L266 HydrophobicContact CD1-CD2 3.84Å; L238-L266 HydrophobicContact CD1-CG 4.12Å; L238-L266 HydrophobicContact CD2-CD2 4.39Å
239T98.4Very high97.9Very high95 Ų9527.3 Ų27.358%0.58315%0.147SC*.G310 helixtrans-116.99.9173.467.80000112.4E236 G237E236-T239 PolarHBondContact O-N 3.04Å; E236-T239 PolarHBondContact O-OG1 3.32Å; G237-T239 PolarHBondContact O-N 3.44Å
240A98.5Very high98.1Very high1 Ų122.3 Ų22.31%0.00813%0.125CC..  trans-57.8132.5-177.300000111.4M197 G237 L246 R247M197-A240 HydrophobicContact SD-CB 3.77Å; G237-A240 WeakPolarHBondContact O-CB 3.28Å; G237-A240 PolarHBondContact O-N 3.27Å; A240-L246 HydrophobicContact CB-CD2 3.86Å; A240-L246 HydrophobicContact CB-CG 4.43Å; A240-R247 HydrophobicContact CB-CG 4.31Å; A240-R247 WeakPolarHBondContact O-CD 3.5Å; A240-R247 PolarHBondContact O-NH1 3.44Å
241P97.5Very high98.2Very high43 Ų4321.9 Ų21.928%0.27912%0.123SC..THydrogen-bonded Turntrans-71154.5-174.727.5-34.7000112.3M197 P199 R206 S243M197-P241 WeakPolarHBondContact O-CD 3.47Å; M197-P241 VanDerWaalsContact O-CG 3.26Å; M197-P241 WeakPolarHBondContact O-CG 3.41Å; P199-P241 HydrophobicContact CB-CB 4.35Å; P199-P241 HydrophobicContact CB-CG 3.95Å; P199-P241 HydrophobicContact CG-CG 4.08Å; R206-P241 PolarHBondContact NH1-O 3.14Å; R206-P241 PolarHBondContact NH2-O 2.93Å; P241-S243 VanDerWaalsContact C-N 3.32Å; P241-S243 PolarHBondContact O-N 3.15Å
242N93.7Very high98.3Very high125 Ų12523.9 Ų23.967%0.66813%0.131SC*.THydrogen-bonded Turntrans64.312.3163.3-61.3-13.4000118.5P199P199-N242 WeakPolarHBondContact CB-ND2 3.43Å
243S97.8Very high98.3Very high3 Ų323.2 Ų23.22%0.02112%0.124CC..  trans-152.7111.5171.7175.80000111E137 P241 L245 L246 R247E137-S243 VanDerWaalsContact CD-OG 3.28Å; E137-S243 WeakPolarHBondContact OE1-CB 3.48Å; E137-S243 PolarHBondContact OE1-OG 3.27Å; E137-S243 WeakPolarHBondContact OE2-CB 3.32Å; E137-S243 PolarHBondContact OE2-OG 2.9Å; P241-S243 VanDerWaalsContact C-N 3.32Å; P241-S243 PolarHBondContact O-N 3.15Å; S243-L245 PolarHBondContact OG-N 2.97Å; S243-L246 PolarHBondContact O-N 3.42Å; S243-L246 PolarHBondContact OG-N 3.46Å; S243-R247 PolarHBondContact O-N 2.94Å; S243-R247 PolarHBondContact O-NH1 3.21Å
244A98.3Very high98.3Very high11 Ų1122.1 Ų22.19%0.09112%0.118CC..Hα-helixtrans-66.3-31.3169.500000110.6R247 H248 H276 M278 V279A244-R247 PolarHBondContact O-N 3.34Å; A244-H248 PolarHBondContact O-N 3.01Å; A244-H276 HydrophobicContact CB-CB 3.77Å; A244-M278 HydrophobicContact CB-CE 4.28Å; A244-V279 HydrophobicContact CB-CG2 4.05Å; A244-V279 VanDerWaalsContact O-CG2 3.29Å; A244-V279 WeakPolarHBondContact O-CG2 3.49Å
245L98.5Very high98.2Very high1 Ų122.5 Ų22.51%0.00512%0.122CC..Hα-helixtrans-60.8-47.4173-164.979000111.2E137 T138 L203 Y207 S243 R247 H248 E249 M278E137-L245 HydrophobicContact CB-CB 4.35Å; E137-L245 HydrophobicContact CB-CD2 3.65Å; E137-L245 WeakPolarHBondContact OE2-CB 3.44Å; T138-L245 VanDerWaalsContact OG1-CD1 3.23Å; T138-L245 WeakPolarHBondContact OG1-CD1 3.4Å; T138-L245 VanDerWaalsContact OG1-CD2 3.25Å; T138-L245 WeakPolarHBondContact OG1-CD2 3.33Å; L203-L245 HydrophobicContact CD2-CD2 4.34Å; Y207-L245 WeakPolarHBondContact OH-CG 3.21Å; Y207-L245 PolarHBondContact OH-O 2.87Å; S243-L245 PolarHBondContact OG-N 2.97Å; L245-R247 VanDerWaalsContact C-N 3.31Å; L245-R247 PolarHBondContact O-N 3.5Å; L245-H248 WeakPolarHBondContact CA-ND1 2.88Å; L245-H248 VanDerWaalsContact CD1-CE1 3.45Å; L245-H248 WeakPolarHBondContact CD1-CE1 3.41Å; L245-H248 PolarHBondContact O-CE1 3.44Å; L245-H248 PolarHBondContact O-N 3.31Å; L245-H248 PolarHBondContact O-ND1 3.39Å; L245-E249 PolarHBondContact O-N 3.29Å; L245-E249 VanDerWaalsContact O-N 3.09Å; L245-M278 HydrophobicContact CB-CE 4.16Å; L245-M278 HydrophobicContact CD1-CE 3.88Å; L245-M278 HydrophobicContact CD1-SD 4.3Å
246L98.8Very high98Very high0 Ų024 Ų240%013%0.129CC..Hα-helixtrans-60.8-41.1176.2-178.261.5000112.8L196 L203 R206 Y207 M210 A240 S243 E249 V250L196-L246 HydrophobicContact CD1-CD1 3.84Å; L196-L246 HydrophobicContact CD1-CD2 3.99Å; L196-L246 HydrophobicContact CD1-CG 4.17Å; L203-L246 HydrophobicContact CD1-CB 4.01Å; L203-L246 HydrophobicContact CD1-CD1 4.5Å; L203-L246 HydrophobicContact CD1-CD2 4.39Å; R206-L246 HydrophobicContact CB-CD1 4.38Å; R206-L246 HydrophobicContact CB-CD2 4.08Å; Y207-L246 HydrophobicContact CD2-CD1 3.62Å; Y207-L246 HydrophobicContact CE2-CB 4.24Å; Y207-L246 HydrophobicContact CE2-CD1 3.63Å; M210-L246 HydrophobicContact SD-CD1 4.36Å; A240-L246 HydrophobicContact CB-CD2 3.86Å; A240-L246 HydrophobicContact CB-CG 4.43Å; S243-L246 PolarHBondContact O-N 3.42Å; S243-L246 PolarHBondContact OG-N 3.46Å; L246-E249 WeakPolarHBondContact O-CB 3.48Å; L246-E249 PolarHBondContact O-N 3.47Å; L246-V250 WeakPolarHBondContact O-CG2 3.49Å; L246-V250 PolarHBondContact O-N 3.26Å
247R98.8Very high97.9Very high36 Ų3620.2 Ų20.214%0.13611%0.112CC..Hα-helixtrans-69.2-36.5-178.2-65.3-164.7-61.5-73.6-3.1112.6L238 A240 S243 A244 L245 E249 V250 A251 E275 V279L238-R247 WeakPolarHBondContact O-CD 3.42Å; A240-R247 HydrophobicContact CB-CG 4.31Å; A240-R247 WeakPolarHBondContact O-CD 3.5Å; A240-R247 PolarHBondContact O-NH1 3.44Å; S243-R247 PolarHBondContact O-N 2.94Å; S243-R247 PolarHBondContact O-NH1 3.21Å; A244-R247 PolarHBondContact O-N 3.34Å; L245-R247 VanDerWaalsContact C-N 3.31Å; L245-R247 PolarHBondContact O-N 3.5Å; R247-E249 VanDerWaalsContact C-N 3.33Å; R247-V250 PolarHBondContact O-N 3.18Å; R247-A251 PolarHBondContact O-N 2.97Å; R247-A251 VanDerWaalsContact O-N 3.15Å; R247-E275 IonicContact CZ-OE1 3.97Å; R247-E275 IonicContact CZ-OE2 3.96Å; R247-E275 IonicContact NE-OE1 2.93Å; R247-E275 IonicContact NE-OE2 3.58Å; R247-E275 PolarHBondContact NE-OE2 3.28Å; R247-E275 IonicContact NH2-OE1 3.9Å; R247-E275 PolarHBondContact NH2-OE1 3.01Å; R247-E275 IonicContact NH2-OE2 3.81Å; R247-E275 PolarHBondContact NH2-OE2 2.95Å; R247-V279 HydrophobicContact CB-CB 4.41Å; R247-V279 HydrophobicContact CB-CG1 3.63Å; R247-V279 HydrophobicContact CB-CG2 3.8Å
248H98.7Very high97.7Very high6 Ų621.7 Ų21.73%0.02812%0.121CC..Hα-helixtrans-63.4-44.9173.2102.5-76.4000109.6A244 L245 V250 A251 F252 M278 V279 E282A244-H248 PolarHBondContact O-N 3.01Å; L245-H248 WeakPolarHBondContact CA-ND1 2.88Å; L245-H248 VanDerWaalsContact CD1-CE1 3.45Å; L245-H248 WeakPolarHBondContact CD1-CE1 3.41Å; L245-H248 PolarHBondContact O-CE1 3.44Å; L245-H248 PolarHBondContact O-N 3.31Å; L245-H248 PolarHBondContact O-ND1 3.39Å; H248-V250 VanDerWaalsContact C-N 3.3Å; H248-V250 PolarHBondContact O-N 3.48Å; H248-A251 CarbonylContact O-C 3.53Å; H248-A251 WeakPolarHBondContact O-CA 3.37Å; H248-A251 VanDerWaalsContact O-CB 3.32Å; H248-A251 WeakPolarHBondContact O-CB 3.41Å; H248-A251 PolarHBondContact O-N 3Å; H248-F252 PolarHBondContact O-N 2.91Å; H248-M278 HydrophobicContact CB-CE 4.15Å; H248-M278 HydrophobicContact CB-CG 3.87Å; H248-V279 HydrophobicContact CB-CG2 4.35Å; H248-E282 HydrophobicContact CB-CB 4.23Å; H248-E282 HydrophobicContact CB-CG 4.45Å; H248-E282 WeakPolarHBondContact O-CG 3.33Å
249E98.8Very high97.4Very high2 Ų222 Ų221%0.00912%0.123CC..Hα-helixtrans-61.3-39.5179-163.877-150.800112.3P177 Y207 M210 F211 L245 L246 R247 A251 F252 V253P177-E249 WeakPolarHBondContact CG-OE1 3.37Å; Y207-E249 HydrophobicContact CD1-CG 4.26Å; Y207-E249 HydrophobicContact CE1-CB 4.11Å; Y207-E249 HydrophobicContact CE1-CG 3.58Å; Y207-E249 PolarHBondContact OH-OE2 2.94Å; M210-E249 HydrophobicContact CE-CB 4.08Å; M210-E249 HydrophobicContact CE-CG 3.2Å; M210-E249 HydrophobicContact SD-CB 3.94Å; M210-E249 HydrophobicContact SD-CG 3.68Å; F211-E249 HydrophobicContact CZ-CG 4.33Å; L245-E249 PolarHBondContact O-N 3.29Å; L245-E249 VanDerWaalsContact O-N 3.09Å; L246-E249 WeakPolarHBondContact O-CB 3.48Å; L246-E249 PolarHBondContact O-N 3.47Å; R247-E249 VanDerWaalsContact C-N 3.33Å; E249-A251 VanDerWaalsContact C-N 3.3Å; E249-A251 PolarHBondContact O-N 2.99Å; E249-F252 WeakPolarHBondContact O-CB 3.32Å; E249-F252 PolarHBondContact O-N 3.28Å; E249-V253 WeakPolarHBondContact O-CB 3.35Å; E249-V253 VanDerWaalsContact O-CG2 3.28Å; E249-V253 WeakPolarHBondContact O-CG2 3.48Å; E249-V253 PolarHBondContact O-N 3.49Å
250V98.9Very high97.2Very high0 Ų017.9 Ų17.90%010%0.098CC..Hα-helixtrans-58.4-44.6172.7169.60000110.6L196 M210 L234 L238 L246 R247 H248 V253 L254L196-V250 HydrophobicContact CD1-CG2 4.39Å; M210-V250 HydrophobicContact CG-CG2 4.12Å; M210-V250 HydrophobicContact SD-CB 4.42Å; M210-V250 HydrophobicContact SD-CG2 3.7Å; L234-V250 HydrophobicContact CD1-CG1 4.23Å; L234-V250 HydrophobicContact CD1-CG2 4.47Å; L234-V250 HydrophobicContact CG-CG1 4.45Å; L234-V250 WeakPolarHBondContact O-CG1 3.34Å; L238-V250 HydrophobicContact CD2-CB 4.35Å; L238-V250 HydrophobicContact CD2-CG1 3.93Å; L238-V250 HydrophobicContact CG-CG1 3.89Å; L246-V250 WeakPolarHBondContact O-CG2 3.49Å; L246-V250 PolarHBondContact O-N 3.26Å; R247-V250 PolarHBondContact O-N 3.18Å; H248-V250 VanDerWaalsContact C-N 3.3Å; H248-V250 PolarHBondContact O-N 3.48Å; V250-V253 PolarHBondContact O-N 3.28Å; V250-L254 HydrophobicContact CG1-CD1 3.9Å; V250-L254 HydrophobicContact CG1-CG 4.34Å; V250-L254 WeakPolarHBondContact O-CB 3.44Å; V250-L254 WeakPolarHBondContact O-CG 3.4Å; V250-L254 PolarHBondContact O-N 2.86Å
251A98.8Very high97Very high0 Ų019.3 Ų19.30%011%0.109CC..Hα-helixtrans-62.2-44.9176.500000112L238 R247 H248 E249 V253 L254 G255 L266 E282 A283 A286L238-A251 HydrophobicContact CD2-CB 3.77Å; R247-A251 PolarHBondContact O-N 2.97Å; R247-A251 VanDerWaalsContact O-N 3.15Å; H248-A251 CarbonylContact O-C 3.53Å; H248-A251 WeakPolarHBondContact O-CA 3.37Å; H248-A251 VanDerWaalsContact O-CB 3.32Å; H248-A251 WeakPolarHBondContact O-CB 3.41Å; H248-A251 PolarHBondContact O-N 3Å; E249-A251 VanDerWaalsContact C-N 3.3Å; E249-A251 PolarHBondContact O-N 2.99Å; A251-V253 VanDerWaalsContact C-N 3.33Å; A251-V253 PolarHBondContact O-N 2.86Å; A251-L254 WeakPolarHBondContact O-CB 3.32Å; A251-L254 PolarHBondContact O-N 2.77Å; A251-L254 VanDerWaalsContact O-N 3.16Å; A251-G255 PolarHBondContact O-N 3.04Å; A251-L266 HydrophobicContact CB-CD2 4.25Å; A251-E282 HydrophobicContact CB-CB 3.88Å; A251-E282 HydrophobicContact CB-CG 3.8Å; A251-A283 HydrophobicContact CB-CB 4.2Å; A251-A286 WeakPolarHBondContact O-CB 3.3Å
252F98.5Very high97Very high42 Ų4217.3 Ų17.318%0.18410%0.095CC..Hα-helixtrans-55.8-49.9176.7173.8-100.2000110.6Y71 T174 H248 E249 L254 G255 Q256 E282Y71-F252 HydrophobicContact CE2-CE2 4.36Å; Y71-F252 HydrophobicContact CE2-CZ 4.26Å; T174-F252 HydrophobicContact CG2-CE1 4.36Å; T174-F252 HydrophobicContact CG2-CZ 4.24Å; H248-F252 PolarHBondContact O-N 2.91Å; E249-F252 WeakPolarHBondContact O-CB 3.32Å; E249-F252 PolarHBondContact O-N 3.28Å; F252-L254 PolarHBondContact O-N 3.35Å; F252-G255 WeakPolarHBondContact O-CA 3.1Å; F252-G255 PolarHBondContact O-N 2.79Å; F252-G255 VanDerWaalsContact O-N 3.14Å; F252-Q256 HydrophobicContact CD1-CG 4.48Å; F252-Q256 HydrophobicContact CE1-CG 4.15Å; F252-Q256 HydrophobicContact CZ-CG 4.3Å; F252-Q256 PolarHBondContact O-N 2.94Å; F252-E282 WeakPolarHBondContact CA-OE1 3.46Å; F252-E282 HydrophobicContact CB-CG 3.81Å; F252-E282 WeakPolarHBondContact CB-OE1 3.35Å; F252-E282 WeakPolarHBondContact CD2-OE1 3.33Å
253V98.1Very high97.2Very high0 Ų011.3 Ų11.30%06%0.063CC..Hα-helixtrans-62.6-41.1178.4175.40000111.6M210 F211 R214 L234 E249 V250 A251 G255 Q256 L257M210-V253 HydrophobicContact CE-CG2 4.09Å; M210-V253 HydrophobicContact CG-CG2 4.45Å; M210-V253 HydrophobicContact SD-CG2 4.16Å; F211-V253 HydrophobicContact CD1-CG2 4.25Å; F211-V253 HydrophobicContact CE1-CG2 3.76Å; R214-V253 HydrophobicContact CB-CG1 3.56Å; R214-V253 HydrophobicContact CG-CG1 3.57Å; L234-V253 HydrophobicContact CD2-CB 4.48Å; L234-V253 HydrophobicContact CD2-CG1 3.64Å; E249-V253 WeakPolarHBondContact O-CB 3.35Å; E249-V253 VanDerWaalsContact O-CG2 3.28Å; E249-V253 WeakPolarHBondContact O-CG2 3.48Å; E249-V253 PolarHBondContact O-N 3.49Å; V250-V253 PolarHBondContact O-N 3.28Å; A251-V253 VanDerWaalsContact C-N 3.33Å; A251-V253 PolarHBondContact O-N 2.86Å; V253-G255 VanDerWaalsContact C-N 3.29Å; V253-G255 PolarHBondContact O-N 3.21Å; V253-Q256 WeakPolarHBondContact O-CB 3.47Å; V253-Q256 PolarHBondContact O-N 2.76Å; V253-L257 HydrophobicContact CG1-CD1 3.99Å; V253-L257 HydrophobicContact CG1-CG 4.41Å; V253-L257 WeakPolarHBondContact O-CG 3.41Å; V253-L257 PolarHBondContact O-N 3.45Å
254L98.3Very high97.2Very high1 Ų113 Ų131%0.0058%0.075CC..Hα-helixtrans-62.6-37.8175.2-70.5169000112.1L234 A235 L238 V250 A251 F252 L257 T258 T262 L266L234-L254 HydrophobicContact CB-CD2 4.41Å; L234-L254 HydrophobicContact CD2-CD2 3.8Å; L234-L254 HydrophobicContact CD2-CG 4.28Å; L234-L254 HydrophobicContact CG-CD2 3.89Å; L234-L254 HydrophobicContact CG-CG 4.29Å; A235-L254 HydrophobicContact CB-CD1 4.13Å; A235-L254 HydrophobicContact CB-CD2 4.15Å; L238-L254 HydrophobicContact CD1-CD1 3.73Å; L238-L254 HydrophobicContact CD2-CD1 4.25Å; L238-L254 HydrophobicContact CG-CD1 3.94Å; V250-L254 HydrophobicContact CG1-CD1 3.9Å; V250-L254 HydrophobicContact CG1-CG 4.34Å; V250-L254 WeakPolarHBondContact O-CB 3.44Å; V250-L254 WeakPolarHBondContact O-CG 3.4Å; V250-L254 PolarHBondContact O-N 2.86Å; A251-L254 WeakPolarHBondContact O-CB 3.32Å; A251-L254 PolarHBondContact O-N 2.77Å; A251-L254 VanDerWaalsContact O-N 3.16Å; F252-L254 PolarHBondContact O-N 3.35Å; L254-L257 PolarHBondContact O-N 2.76Å; L254-T258 PolarHBondContact O-N 3.32Å; L254-T262 HydrophobicContact CD2-CG2 3.77Å; L254-L266 HydrophobicContact CB-CD1 4.31Å; L254-L266 HydrophobicContact CB-CD2 4.38Å; L254-L266 HydrophobicContact CD1-CD2 3.96Å; L254-L266 HydrophobicContact CD1-CG 4.22Å
255G97.4Very high97.2Very high8 Ų815.5 Ų15.58%0.0828%0.084CC..Hα-helixtrans-60.2-46.7172.900000112.1A251 F252 V253 L257 T258A251-G255 PolarHBondContact O-N 3.04Å; F252-G255 WeakPolarHBondContact O-CA 3.1Å; F252-G255 PolarHBondContact O-N 2.79Å; F252-G255 VanDerWaalsContact O-N 3.14Å; V253-G255 VanDerWaalsContact C-N 3.29Å; V253-G255 PolarHBondContact O-N 3.21Å; G255-L257 VanDerWaalsContact C-N 3.29Å; G255-L257 PolarHBondContact O-N 2.96Å; G255-T258 WeakPolarHBondContact O-CG2 3.47Å; G255-T258 PolarHBondContact O-N 3.24Å
256Q94.9Very high97.3Very high33 Ų3315.4 Ų15.415%0.1548%0.084CC..Hα-helixtrans-60-37.9175.2-67.5-173.1-30.600113.3F171 F252 V253F171-Q256 HydrophobicContact CE1-CB 4.16Å; F171-Q256 HydrophobicContact CE2-CB 4.26Å; F171-Q256 HydrophobicContact CZ-CB 3.84Å; F252-Q256 HydrophobicContact CD1-CG 4.48Å; F252-Q256 HydrophobicContact CE1-CG 4.15Å; F252-Q256 HydrophobicContact CZ-CG 4.3Å; F252-Q256 PolarHBondContact O-N 2.94Å; V253-Q256 WeakPolarHBondContact O-CB 3.47Å; V253-Q256 PolarHBondContact O-N 2.76Å
257L95.4Very high97.3Very high13 Ų1315.4 Ų15.47%0.0688%0.084CC..Hα-helixtrans-77-25.7-176.6-69.8172.6000112.8R214 V217 L218 L234 V253 L254 G255 V259R214-L257 HydrophobicContact CB-CD1 4.39Å; R214-L257 HydrophobicContact CG-CD1 4.07Å; R214-L257 HydrophobicContact CG-CD2 3.63Å; R214-L257 HydrophobicContact CG-CG 3.97Å; V217-L257 HydrophobicContact CB-CD1 4.02Å; V217-L257 HydrophobicContact CB-CD2 3.86Å; V217-L257 HydrophobicContact CG1-CB 4.34Å; V217-L257 HydrophobicContact CG1-CD1 4.01Å; V217-L257 HydrophobicContact CG1-CD2 3.67Å; V217-L257 HydrophobicContact CG1-CG 4.22Å; V217-L257 HydrophobicContact CG2-CD1 4.07Å; L218-L257 HydrophobicContact CD2-CD2 3.48Å; L218-L257 VanDerWaalsContact CD2-CD2 3.48Å; L218-L257 HydrophobicContact CG-CD2 3.75Å; L234-L257 HydrophobicContact CD2-CD1 3.4Å; L234-L257 VanDerWaalsContact CD2-CD1 3.4Å; V253-L257 HydrophobicContact CG1-CD1 3.99Å; V253-L257 HydrophobicContact CG1-CG 4.41Å; V253-L257 WeakPolarHBondContact O-CG 3.41Å; V253-L257 PolarHBondContact O-N 3.45Å; L254-L257 PolarHBondContact O-N 2.76Å; G255-L257 VanDerWaalsContact C-N 3.29Å; G255-L257 PolarHBondContact O-N 2.96Å; L257-V259 VanDerWaalsContact C-N 3.26Å; L257-V259 HydrophobicContact CB-CG2 4.05Å; L257-V259 PolarHBondContact O-N 3.49Å
258T94.6Very high97.3Very high30 Ų3017.2 Ų17.218%0.18410%0.099CC..THydrogen-bonded Turntrans52.435.3-18061.60000114.7L254 G255 A260 E293 L299L254-T258 PolarHBondContact O-N 3.32Å; G255-T258 WeakPolarHBondContact O-CG2 3.47Å; G255-T258 PolarHBondContact O-N 3.24Å; T258-A260 PolarHBondContact O-N 3.16Å; T258-E293 HydrophobicContact CG2-CG 3.93Å; T258-L299 VanDerWaalsContact O-CD1 3.26Å; T258-L299 WeakPolarHBondContact O-CD1 3.43Å; T258-L299 VanDerWaalsContact O-CD2 3.23Å; T258-L299 WeakPolarHBondContact O-CD2 3.49Å
259V93.3Very high97.3Very high11 Ų1117 Ų177%0.06710%0.098CC..  trans-84113.8-176.6-177.60000111.1V217 A231 L257 S261 T262V217-V259 HydrophobicContact CG1-CG2 3.71Å; A231-V259 HydrophobicContact CB-CB 4.04Å; A231-V259 HydrophobicContact CB-CG1 3.77Å; A231-V259 HydrophobicContact CB-CG2 4.05Å; L257-V259 VanDerWaalsContact C-N 3.26Å; L257-V259 HydrophobicContact CB-CG2 4.05Å; L257-V259 PolarHBondContact O-N 3.49Å; V259-S261 WeakPolarHBondContact CG1-OG 3.41Å; V259-S261 PolarHBondContact O-N 3.41Å; V259-T262 HydrophobicContact CB-CG2 4.18Å; V259-T262 HydrophobicContact CG1-CG2 4.36Å; V259-T262 PolarHBondContact O-N 3.33Å; V259-T262 PolarHBondContact O-OG1 2.94Å
260A94.3Very high97.3Very high9 Ų916.9 Ų16.97%0.07410%0.097CC..G310 helixtrans-53.8-33.7-175.400000115T258 T262 V263 L294 L299 I307 F311T258-A260 PolarHBondContact O-N 3.16Å; A260-T262 PolarHBondContact O-N 3.42Å; A260-T262 VanDerWaalsContact O-N 3.09Å; A260-V263 WeakPolarHBondContact O-CB 3.45Å; A260-V263 WeakPolarHBondContact O-CG2 3.21Å; A260-V263 PolarHBondContact O-N 2.92Å; A260-L294 HydrophobicContact CB-CD2 3.85Å; A260-L299 HydrophobicContact CB-CD1 4.34Å; A260-I307 HydrophobicContact CB-CD1 4.19Å; A260-I307 HydrophobicContact CB-CG2 3.63Å; A260-F311 HydrophobicContact CB-CD2 4.16Å; A260-F311 VanDerWaalsContact O-CD2 3.24Å; A260-F311 WeakPolarHBondContact O-CD2 3.24Å
261S94.1Very high97.2Very high32 Ų3221 Ų2122%0.22411%0.113CC..G310 helixtrans-68.2-6-178.864.50000114.5V259 Q265V259-S261 WeakPolarHBondContact CG1-OG 3.41Å; V259-S261 PolarHBondContact O-N 3.41Å; S261-Q265 PolarHBondContact O-OE1 2.92Å
262T97.1Very high97.2Very high0 Ų024.3 Ų24.30%013%0.128CC..G310 helixtrans-97.6-5.9178.8710000112.8A231 A235 L254 V259 A260 P264 Q265 L266A231-T262 HydrophobicContact CB-CG2 3.98Å; A235-T262 HydrophobicContact CB-CG2 4.02Å; L254-T262 HydrophobicContact CD2-CG2 3.77Å; V259-T262 HydrophobicContact CB-CG2 4.18Å; V259-T262 HydrophobicContact CG1-CG2 4.36Å; V259-T262 PolarHBondContact O-N 3.33Å; V259-T262 PolarHBondContact O-OG1 2.94Å; A260-T262 PolarHBondContact O-N 3.42Å; A260-T262 VanDerWaalsContact O-N 3.09Å; T262-P264 VanDerWaalsContact C-CD 3.47Å; T262-P264 VanDerWaalsContact C-N 3.33Å; T262-Q265 PolarHBondContact O-N 3.04Å; T262-Q265 PolarHBondContact O-OE1 3.03Å; T262-L266 PolarHBondContact O-N 3.1Å
263V98.1Very high97.1Very high0 Ų027.4 Ų27.40%015%0.151CC..Hα-helixtrans-51.8-43.8175.4168.70000112.6A260 Q265 L266 S267 L287 I290 L294 F311 Q314 A315A260-V263 WeakPolarHBondContact O-CB 3.45Å; A260-V263 WeakPolarHBondContact O-CG2 3.21Å; A260-V263 PolarHBondContact O-N 2.92Å; V263-Q265 VanDerWaalsContact C-N 3.35Å; V263-Q265 PolarHBondContact O-N 3.06Å; V263-L266 PolarHBondContact O-N 3.14Å; V263-S267 WeakPolarHBondContact O-CB 3.09Å; V263-S267 PolarHBondContact O-N 2.97Å; V263-S267 PolarHBondContact O-OG 2.93Å; V263-L287 HydrophobicContact CB-CD2 4.41Å; V263-L287 HydrophobicContact CG1-CD2 4.1Å; V263-L287 HydrophobicContact CG2-CD2 4.31Å; V263-I290 HydrophobicContact CG2-CB 4.45Å; V263-I290 HydrophobicContact CG2-CD1 4.46Å; V263-I290 HydrophobicContact CG2-CG2 3.59Å; V263-L294 HydrophobicContact CG2-CD1 4.49Å; V263-F311 HydrophobicContact CB-CB 4.17Å; V263-F311 HydrophobicContact CB-CG 4.37Å; V263-F311 HydrophobicContact CG1-CB 4.27Å; V263-F311 HydrophobicContact CG2-CB 4.25Å; V263-Q314 HydrophobicContact CG1-CB 4.24Å; V263-Q314 HydrophobicContact CG1-CG 4.23Å; V263-A315 HydrophobicContact CG1-CB 4.04Å; V263-A315 HydrophobicContact CG2-CB 4.49Å
264P98Very high97.1Very high39 Ų3934.3 Ų34.325%0.25319%0.188SC..Hα-helixtrans-60.1-41.8179.9-26.436.7000113.8T262 T268 F311T262-P264 VanDerWaalsContact C-CD 3.47Å; T262-P264 VanDerWaalsContact C-N 3.33Å; P264-T268 WeakPolarHBondContact O-CB 3.36Å; P264-T268 PolarHBondContact O-N 3.41Å; P264-T268 PolarHBondContact O-OG1 3.34Å; P264-F311 HydrophobicContact CG-CD1 4.16Å; P264-F311 HydrophobicContact CG-CE1 3.63Å; P264-F311 HydrophobicContact CG-CZ 4.24Å
265Q98.6Very high97.1Very high62 Ų6235.5 Ų35.529%0.2919%0.194SC..Hα-helixtrans-70.4-45.8-179.9-64.387.7-36.500111A235 L238 S261 T262 V263 S267 T268 C269A235-Q265 HydrophobicContact CB-CB 4.06Å; A235-Q265 HydrophobicContact CB-CG 3.93Å; L238-Q265 HydrophobicContact CD1-CB 3.89Å; S261-Q265 PolarHBondContact O-OE1 2.92Å; T262-Q265 PolarHBondContact O-N 3.04Å; T262-Q265 PolarHBondContact O-OE1 3.03Å; V263-Q265 VanDerWaalsContact C-N 3.35Å; V263-Q265 PolarHBondContact O-N 3.06Å; Q265-S267 PolarHBondContact O-N 2.74Å; Q265-T268 WeakPolarHBondContact O-CB 3.35Å; Q265-T268 PolarHBondContact O-N 2.85Å; Q265-C269 PolarHBondContact O-N 2.88Å
266L98.8Very high97.1Very high0 Ų038.1 Ų38.10%020%0.203CC..Hα-helixtrans-61.9-44176.1-73.1167.3000111.8L238 A251 L254 T262 V263 T268 C269 V270 A283 A286 L287 I290L238-L266 HydrophobicContact CD1-CD2 3.84Å; L238-L266 HydrophobicContact CD1-CG 4.12Å; L238-L266 HydrophobicContact CD2-CD2 4.39Å; A251-L266 HydrophobicContact CB-CD2 4.25Å; L254-L266 HydrophobicContact CB-CD1 4.31Å; L254-L266 HydrophobicContact CB-CD2 4.38Å; L254-L266 HydrophobicContact CD1-CD2 3.96Å; L254-L266 HydrophobicContact CD1-CG 4.22Å; T262-L266 PolarHBondContact O-N 3.1Å; V263-L266 PolarHBondContact O-N 3.14Å; L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 3.07Å; L266-C269 WeakPolarHBondContact O-CB 3.32Å; L266-C269 PolarHBondContact O-N 3.16Å; L266-C269 VanDerWaalsContact O-N 3.12Å; L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 2.97Å; L266-A283 HydrophobicContact CD2-CB 3.95Å; L266-A286 HydrophobicContact CD1-CB 3.97Å; L266-A286 HydrophobicContact CD2-CB 3.86Å; L266-L287 HydrophobicContact CB-CD1 4.39Å; L266-L287 HydrophobicContact CB-CD2 3.64Å; L266-L287 HydrophobicContact CB-CG 3.78Å; L266-L287 HydrophobicContact CD1-CD2 4.23Å; L266-I290 HydrophobicContact CD1-CD1 3.32Å
267S98.8Very high97.3Very high0 Ų038.4 Ų38.40%021%0.208CC..Hα-helixtrans-58.6-41.3174.8-65.50000112.3V263 Q265 R271 Q314V263-S267 WeakPolarHBondContact O-CB 3.09Å; V263-S267 PolarHBondContact O-N 2.97Å; V263-S267 PolarHBondContact O-OG 2.93Å; Q265-S267 PolarHBondContact O-N 2.74Å; S267-R271 WeakPolarHBondContact O-CB 3.47Å; S267-R271 WeakPolarHBondContact O-CG 3.33Å; S267-R271 PolarHBondContact O-N 3.14Å; S267-R271 VanDerWaalsContact O-N 3.12Å; S267-Q314 VanDerWaalsContact CB-NE2 3.25Å; S267-Q314 WeakPolarHBondContact OG-CG 3.27Å; S267-Q314 PolarHBondContact OG-NE2 3.17Å
268T98.7Very high97.4Very high73 Ų7337.9 Ų37.945%0.44821%0.205SC..Hα-helixtrans-63.1-44.8175.7-60.70000110.4P264 Q265 L266 R271 Q272P264-T268 WeakPolarHBondContact O-CB 3.36Å; P264-T268 PolarHBondContact O-N 3.41Å; P264-T268 PolarHBondContact O-OG1 3.34Å; Q265-T268 WeakPolarHBondContact O-CB 3.35Å; Q265-T268 PolarHBondContact O-N 2.85Å; L266-T268 VanDerWaalsContact C-N 3.28Å; L266-T268 PolarHBondContact O-N 3.07Å; T268-R271 PolarHBondContact O-N 3.03Å; T268-Q272 VanDerWaalsContact O-CG 3.29Å; T268-Q272 WeakPolarHBondContact O-CG 3.46Å; T268-Q272 PolarHBondContact O-N 3.03Å; T268-Q272 VanDerWaalsContact O-N 3.1Å
269C98.7Very high97.6Very high2 Ų236.5 Ų36.51%0.01420%0.197CC..Hα-helixtrans-59.8-49.2177.7-175.50000112.2Q265 L266 R271 Q272 V279 A283Q265-C269 PolarHBondContact O-N 2.88Å; L266-C269 WeakPolarHBondContact O-CB 3.32Å; L266-C269 PolarHBondContact O-N 3.16Å; L266-C269 VanDerWaalsContact O-N 3.12Å; C269-R271 VanDerWaalsContact C-N 3.28Å; C269-R271 PolarHBondContact O-N 3.47Å; C269-Q272 PolarHBondContact O-N 3.33Å; C269-Q272 VanDerWaalsContact O-N 3.12Å; C269-V279 VanDerWaalsContact SG-CG1 3.52Å; C269-A283 HydrophobicContact CB-CB 3.98Å
270V98.8Very high97.9Very high0 Ų036.4 Ų36.40%020%0.195CC..Hα-helixtrans-59.4-39.5177.4177.80000111.6L266 Q272 R280 A283 A284 L287 V318 F322L266-V270 WeakPolarHBondContact O-CG2 3.36Å; L266-V270 PolarHBondContact O-N 2.97Å; V270-Q272 VanDerWaalsContact C-N 3.31Å; V270-Q272 PolarHBondContact O-N 3.47Å; V270-R280 VanDerWaalsContact O-CZ 3.29Å; V270-R280 PolarHBondContact O-NE 3.48Å; V270-R280 PolarHBondContact O-NH2 3.31Å; V270-A283 HydrophobicContact CG2-CB 3.72Å; V270-A284 HydrophobicContact CG2-CB 4.08Å; V270-L287 HydrophobicContact CG2-CD1 3.86Å; V270-V318 HydrophobicContact CB-CG1 3.72Å; V270-V318 HydrophobicContact CG1-CG1 3.6Å; V270-V318 HydrophobicContact CG2-CG1 4.36Å; V270-F322 HydrophobicContact CG1-CB 4.1Å; V270-F322 HydrophobicContact CG1-CD1 4.3Å; V270-F322 HydrophobicContact CG1-CD2 3.96Å; V270-F322 HydrophobicContact CG1-CG 3.82Å
271R98.6Very high98.1Very high86 Ų8636 Ų3633%0.32519%0.192SC..Hα-helixtrans-70.9-19.9178.9-78.1174.4174.6148.82.4114.5S267 T268 C269 T273 E317 V318 E321 F322S267-R271 WeakPolarHBondContact O-CB 3.47Å; S267-R271 WeakPolarHBondContact O-CG 3.33Å; S267-R271 PolarHBondContact O-N 3.14Å; S267-R271 VanDerWaalsContact O-N 3.12Å; T268-R271 PolarHBondContact O-N 3.03Å; C269-R271 VanDerWaalsContact C-N 3.28Å; C269-R271 PolarHBondContact O-N 3.47Å; R271-T273 PolarHBondContact O-N 3.09Å; R271-E317 IonicContact NH2-OE2 3.54Å; R271-E317 PolarHBondContact NH2-OE2 3.28Å; R271-V318 VanDerWaalsContact NH2-CG2 3.35Å; R271-E321 IonicContact NE-OE2 2.72Å; R271-E321 IonicContact NH2-OE2 2.78Å; R271-F322 HydrophobicContact CB-CE2 4.36Å; R271-F322 HydrophobicContact CB-CZ 4.25Å; R271-F322 HydrophobicContact CG-CE2 3.55Å; R271-F322 HydrophobicContact CG-CZ 3.91Å
272Q98Very high98.3Very high69 Ų6935.2 Ų35.232%0.32219%0.185SC..  trans-75.786.3-178.5-79.5171-19.200111.2T268 C269 V270 N274 E275 R280T268-Q272 VanDerWaalsContact O-CG 3.29Å; T268-Q272 WeakPolarHBondContact O-CG 3.46Å; T268-Q272 PolarHBondContact O-N 3.03Å; T268-Q272 VanDerWaalsContact O-N 3.1Å; C269-Q272 PolarHBondContact O-N 3.33Å; C269-Q272 VanDerWaalsContact O-N 3.12Å; V270-Q272 VanDerWaalsContact C-N 3.31Å; V270-Q272 PolarHBondContact O-N 3.47Å; Q272-N274 PolarHBondContact O-N 3.41Å; Q272-E275 HydrophobicContact CB-CB 3.89Å; Q272-E275 VanDerWaalsContact O-CB 3.24Å; Q272-E275 WeakPolarHBondContact O-CB 3.46Å; Q272-E275 PolarHBondContact O-N 2.94Å; Q272-R280 VanDerWaalsContact O-CD 3.3Å; Q272-R280 WeakPolarHBondContact O-CD 3.48Å; Q272-R280 PolarHBondContact O-NE 2.88Å
273T96.7Very high98.4Very high108 Ų10835.2 Ų35.266%0.66319%0.185SC*.THydrogen-bonded Turntrans-61-12179.857.20000115.2R271R271-T273 PolarHBondContact O-N 3.09Å
274N97Very high98.4Very high145 Ų14535.2 Ų35.278%0.77519%0.185SC*.THydrogen-bonded Turntrans-93.5-6.1172.466.4-40.7000113.8Q272Q272-N274 PolarHBondContact O-N 3.41Å
275E98.3Very high98.4Very high26 Ų2634.8 Ų34.812%0.12118%0.179CC..SBendtrans-75.3151.8171.6-179.658.4-80.900110.4R247 Q272 V279 R280R247-E275 IonicContact CZ-OE1 3.97Å; R247-E275 IonicContact CZ-OE2 3.96Å; R247-E275 IonicContact NE-OE1 2.93Å; R247-E275 IonicContact NE-OE2 3.58Å; R247-E275 PolarHBondContact NE-OE2 3.28Å; R247-E275 IonicContact NH2-OE1 3.9Å; R247-E275 PolarHBondContact NH2-OE1 3.01Å; R247-E275 IonicContact NH2-OE2 3.81Å; R247-E275 PolarHBondContact NH2-OE2 2.95Å; Q272-E275 HydrophobicContact CB-CB 3.89Å; Q272-E275 VanDerWaalsContact O-CB 3.24Å; Q272-E275 WeakPolarHBondContact O-CB 3.46Å; Q272-E275 PolarHBondContact O-N 2.94Å; E275-V279 HydrophobicContact CG-CB 3.78Å; E275-V279 HydrophobicContact CG-CG1 4.07Å; E275-V279 HydrophobicContact CG-CG2 4.34Å; E275-R280 HydrophobicContact CB-CG 3.92Å; E275-R280 HydrophobicContact CG-CG 3.98Å
276H98.2Very high98.4Very high62 Ų6231.9 Ų31.929%0.28717%0.166SC..  trans-59.7134.1179.1-169.2-88.2000111.1E134 A244 M278 V279 R280E134-H276 IonicContact OE1-CD2 3.29Å; E134-H276 IonicContact OE1-CE1 2.96Å; E134-H276 IonicContact OE1-NE2 2.92Å; E134-H276 PolarHBondContact OE1-NE2 2.85Å; A244-H276 HydrophobicContact CB-CB 3.77Å; H276-M278 WeakPolarHBondContact ND1-CB 3.44Å; H276-M278 PolarHBondContact ND1-N 3.15Å; H276-M278 VanDerWaalsContact ND1-N 3.17Å; H276-M278 PolarHBondContact O-N 3.39Å; H276-M278 VanDerWaalsContact O-N 3.12Å; H276-V279 HydrophobicContact CB-CG2 4.15Å; H276-V279 PolarHBondContact O-N 3.42Å; H276-R280 PolarHBondContact O-N 3.47Å
277P98.4Very high98.4Very high39 Ų3931.9 Ų31.925%0.25317%0.166SC..Hα-helixtrans-50-39.1-179.9-33.438.7000114.8V279 R280 H281 E327P277-V279 VanDerWaalsContact C-N 3.33Å; P277-V279 PolarHBondContact O-N 3.45Å; P277-R280 PolarHBondContact O-N 3.29Å; P277-H281 PolarHBondContact O-CD2 3.36Å; P277-H281 PolarHBondContact O-N 3.05Å; P277-E327 HydrophobicContact CB-CG 3.71Å; P277-E327 HydrophobicContact CG-CG 3.84Å
278M98.1Very high98.4Very high3 Ų331.9 Ų31.92%0.01517%0.166CC..Hα-helixtrans-54.6-46.3175.8-164.7170.965.400112.4L97 H100 E134 A244 L245 H248 H276 H281 E282L97-M278 HydrophobicContact CD1-CB 4.25Å; L97-M278 HydrophobicContact CD1-CG 3.71Å; L97-M278 HydrophobicContact CD1-SD 4.26Å; H100-M278 VanDerWaalsContact CD2-SD 3.51Å; H100-M278 PolarHBondContact NE2-SD 3Å; H100-M278 VanDerWaalsContact NE2-SD 3.36Å; E134-M278 HydrophobicContact CB-CE 4.27Å; E134-M278 HydrophobicContact CG-CE 3.65Å; E134-M278 HydrophobicContact CG-SD 4.34Å; A244-M278 HydrophobicContact CB-CE 4.28Å; L245-M278 HydrophobicContact CB-CE 4.16Å; L245-M278 HydrophobicContact CD1-CE 3.88Å; L245-M278 HydrophobicContact CD1-SD 4.3Å; H248-M278 HydrophobicContact CB-CE 4.15Å; H248-M278 HydrophobicContact CB-CG 3.87Å; H276-M278 WeakPolarHBondContact ND1-CB 3.44Å; H276-M278 PolarHBondContact ND1-N 3.15Å; H276-M278 VanDerWaalsContact ND1-N 3.17Å; H276-M278 PolarHBondContact O-N 3.39Å; H276-M278 VanDerWaalsContact O-N 3.12Å; M278-H281 VanDerWaalsContact C-CD2 3.44Å; M278-H281 WeakPolarHBondContact CA-CD2 3.34Å; M278-H281 WeakPolarHBondContact CA-NE2 3.32Å; M278-H281 PolarHBondContact O-CD2 3.31Å; M278-H281 PolarHBondContact O-NE2 2.87Å; M278-E282 WeakPolarHBondContact O-CB 3.32Å; M278-E282 PolarHBondContact O-N 3.37Å
279V98.8Very high98.3Very high0 Ų029.9 Ų29.90%016%0.155CC..Hα-helixtrans-71.2-40-178.4-170.60000110.5A244 R247 H248 C269 E275 H276 P277 E282 A283A244-V279 HydrophobicContact CB-CG2 4.05Å; A244-V279 VanDerWaalsContact O-CG2 3.29Å; A244-V279 WeakPolarHBondContact O-CG2 3.49Å; R247-V279 HydrophobicContact CB-CB 4.41Å; R247-V279 HydrophobicContact CB-CG1 3.63Å; R247-V279 HydrophobicContact CB-CG2 3.8Å; H248-V279 HydrophobicContact CB-CG2 4.35Å; C269-V279 VanDerWaalsContact SG-CG1 3.52Å; E275-V279 HydrophobicContact CG-CB 3.78Å; E275-V279 HydrophobicContact CG-CG1 4.07Å; E275-V279 HydrophobicContact CG-CG2 4.34Å; H276-V279 HydrophobicContact CB-CG2 4.15Å; H276-V279 PolarHBondContact O-N 3.42Å; P277-V279 VanDerWaalsContact C-N 3.33Å; P277-V279 PolarHBondContact O-N 3.45Å; V279-E282 PolarHBondContact O-N 2.96Å; V279-A283 VanDerWaalsContact O-CB 3.32Å; V279-A283 WeakPolarHBondContact O-CB 3.46Å; V279-A283 PolarHBondContact O-N 3.44Å
280R98.8Very high98.2Very high9 Ų929.8 Ų29.83%0.03415%0.154CC..Hα-helixtrans-67.9-38.5-177.8-64.9179.769.2-146.2-5.4112.7V270 Q272 E275 H276 P277 A284 D325 V330V270-R280 VanDerWaalsContact O-CZ 3.29Å; V270-R280 PolarHBondContact O-NE 3.48Å; V270-R280 PolarHBondContact O-NH2 3.31Å; Q272-R280 VanDerWaalsContact O-CD 3.3Å; Q272-R280 WeakPolarHBondContact O-CD 3.48Å; Q272-R280 PolarHBondContact O-NE 2.88Å; E275-R280 HydrophobicContact CB-CG 3.92Å; E275-R280 HydrophobicContact CG-CG 3.98Å; H276-R280 PolarHBondContact O-N 3.47Å; P277-R280 PolarHBondContact O-N 3.29Å; R280-A284 PolarHBondContact O-N 2.92Å; R280-D325 IonicContact CZ-OD2 3.69Å; R280-D325 IonicContact NH1-OD1 3.64Å; R280-D325 PolarHBondContact NH1-OD1 2.82Å; R280-D325 IonicContact NH1-OD2 2.91Å; R280-D325 PolarHBondContact NH1-OD2 3.5Å; R280-D325 IonicContact NH2-OD2 3.79Å; R280-D325 PolarHBondContact NH2-OD2 3.22Å; R280-V330 HydrophobicContact CB-CG1 4.42Å; R280-V330 HydrophobicContact CB-CG2 3.56Å
281H98.7Very high98Very high0 Ų029.8 Ų29.80%015%0.154CC..Hα-helixtrans-68.4-43.3177.68672.6000110.8H67 L97 P277 M278 A283 A284 E285 V329 S333H67-H281 AromaticContact NE2-CE1 3.74Å; L97-H281 VanDerWaalsContact CD1-NE2 3.32Å; L97-H281 WeakPolarHBondContact CD1-NE2 3.29Å; P277-H281 PolarHBondContact O-CD2 3.36Å; P277-H281 PolarHBondContact O-N 3.05Å; M278-H281 VanDerWaalsContact C-CD2 3.44Å; M278-H281 WeakPolarHBondContact CA-CD2 3.34Å; M278-H281 WeakPolarHBondContact CA-NE2 3.32Å; M278-H281 PolarHBondContact O-CD2 3.31Å; M278-H281 PolarHBondContact O-NE2 2.87Å; H281-A283 VanDerWaalsContact C-N 3.3Å; H281-A283 PolarHBondContact O-N 3.39Å; H281-A284 WeakPolarHBondContact O-CA 3.34Å; H281-A284 WeakPolarHBondContact O-CB 3.17Å; H281-A284 PolarHBondContact O-N 3.33Å; H281-E285 IonicContact ND1-OE1 3.84Å; H281-E285 PolarHBondContact ND1-OE1 3.31Å; H281-E285 PolarHBondContact O-N 3.06Å; H281-V329 HydrophobicContact CB-CG1 3.41Å; H281-V329 VanDerWaalsContact CB-CG1 3.41Å; H281-S333 WeakPolarHBondContact CB-OG 3.49Å
282E98.8Very high97.8Very high16 Ų1625.7 Ų25.78%0.07514%0.139CC..Hα-helixtrans-64.9-39.1-179.9-160.660.3-129.500110.6H248 A251 F252 M278 V279 A284 E285 A286H248-E282 HydrophobicContact CB-CB 4.23Å; H248-E282 HydrophobicContact CB-CG 4.45Å; H248-E282 WeakPolarHBondContact O-CG 3.33Å; A251-E282 HydrophobicContact CB-CB 3.88Å; A251-E282 HydrophobicContact CB-CG 3.8Å; F252-E282 WeakPolarHBondContact CA-OE1 3.46Å; F252-E282 HydrophobicContact CB-CG 3.81Å; F252-E282 WeakPolarHBondContact CB-OE1 3.35Å; F252-E282 WeakPolarHBondContact CD2-OE1 3.33Å; M278-E282 WeakPolarHBondContact O-CB 3.32Å; M278-E282 PolarHBondContact O-N 3.37Å; V279-E282 PolarHBondContact O-N 2.96Å; E282-A284 VanDerWaalsContact C-N 3.31Å; E282-A284 PolarHBondContact O-N 3.29Å; E282-E285 PolarHBondContact O-N 3.24Å; E282-A286 WeakPolarHBondContact O-CB 3.44Å; E282-A286 PolarHBondContact O-N 3.45Å
283A98.9Very high97.5Very high0 Ų024.7 Ų24.70%013%0.134CC..Hα-helixtrans-64-34.5172.100000112.9A251 L266 C269 V270 V279 H281 L287A251-A283 HydrophobicContact CB-CB 4.2Å; L266-A283 HydrophobicContact CD2-CB 3.95Å; C269-A283 HydrophobicContact CB-CB 3.98Å; V270-A283 HydrophobicContact CG2-CB 3.72Å; V279-A283 VanDerWaalsContact O-CB 3.32Å; V279-A283 WeakPolarHBondContact O-CB 3.46Å; V279-A283 PolarHBondContact O-N 3.44Å; H281-A283 VanDerWaalsContact C-N 3.3Å; H281-A283 PolarHBondContact O-N 3.39Å; A283-L287 WeakPolarHBondContact O-CG 3.13Å; A283-L287 PolarHBondContact O-N 3.27Å
284A98.9Very high97.3Very high0 Ų019.9 Ų19.90%010%0.104CC..Hα-helixtrans-68.9-41.9174.900000111.8V270 R280 H281 E282 L287 G288 L319 A337V270-A284 HydrophobicContact CG2-CB 4.08Å; R280-A284 PolarHBondContact O-N 2.92Å; H281-A284 WeakPolarHBondContact O-CA 3.34Å; H281-A284 WeakPolarHBondContact O-CB 3.17Å; H281-A284 PolarHBondContact O-N 3.33Å; E282-A284 VanDerWaalsContact C-N 3.31Å; E282-A284 PolarHBondContact O-N 3.29Å; A284-L287 WeakPolarHBondContact O-CB 3.35Å; A284-L287 PolarHBondContact O-N 3.44Å; A284-G288 PolarHBondContact O-N 3.02Å; A284-L319 HydrophobicContact CB-CD2 3.97Å; A284-L319 WeakPolarHBondContact O-CD2 3.49Å; A284-A337 WeakPolarHBondContact O-CB 3.35Å
285E98.7Very high97Very high30 Ų3015.1 Ų15.114%0.148%0.078CC..Hα-helixtrans-65.7-40.6176.5-71.6178.3-140.500111.9H281 E282 L287 G288 S289 S333H281-E285 IonicContact ND1-OE1 3.84Å; H281-E285 PolarHBondContact ND1-OE1 3.31Å; H281-E285 PolarHBondContact O-N 3.06Å; E282-E285 PolarHBondContact O-N 3.24Å; E285-L287 PolarHBondContact O-N 3.14Å; E285-G288 PolarHBondContact O-N 3.33Å; E285-G288 VanDerWaalsContact O-N 3.16Å; E285-S289 PolarHBondContact O-N 3.1Å; E285-S289 PolarHBondContact O-OG 3.26Å; E285-S289 VanDerWaalsContact O-OG 3.14Å; E285-S333 PolarHBondContact OE1-OG 3.32Å
286A98.6Very high96.4Very high2 Ų214.7 Ų14.72%0.0178%0.08CC..Hα-helixtrans-59.4-44.1172.100000112.2A251 L266 E282 G288 S289 I290A251-A286 WeakPolarHBondContact O-CB 3.3Å; L266-A286 HydrophobicContact CD1-CB 3.97Å; L266-A286 HydrophobicContact CD2-CB 3.86Å; E282-A286 WeakPolarHBondContact O-CB 3.44Å; E282-A286 PolarHBondContact O-N 3.45Å; A286-G288 VanDerWaalsContact C-N 3.34Å; A286-G288 PolarHBondContact O-N 3Å; A286-S289 PolarHBondContact O-N 3.02Å; A286-I290 WeakPolarHBondContact O-CD1 3.47Å; A286-I290 WeakPolarHBondContact O-CG1 3.4Å; A286-I290 PolarHBondContact O-N 3.34Å
287L98.6Very high95.5Very high0 Ų018.3 Ų18.30%010%0.095CC..Hα-helixtrans-61.3-40.2173.6-77.4175.9000112.3V263 L266 V270 A283 A284 E285 S289 I290 L291 A315 V318 L319V263-L287 HydrophobicContact CB-CD2 4.41Å; V263-L287 HydrophobicContact CG1-CD2 4.1Å; V263-L287 HydrophobicContact CG2-CD2 4.31Å; L266-L287 HydrophobicContact CB-CD1 4.39Å; L266-L287 HydrophobicContact CB-CD2 3.64Å; L266-L287 HydrophobicContact CB-CG 3.78Å; L266-L287 HydrophobicContact CD1-CD2 4.23Å; V270-L287 HydrophobicContact CG2-CD1 3.86Å; A283-L287 WeakPolarHBondContact O-CG 3.13Å; A283-L287 PolarHBondContact O-N 3.27Å; A284-L287 WeakPolarHBondContact O-CB 3.35Å; A284-L287 PolarHBondContact O-N 3.44Å; E285-L287 PolarHBondContact O-N 3.14Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3.3Å; L287-I290 PolarHBondContact O-N 3.28Å; L287-L291 WeakPolarHBondContact O-CB 3.08Å; L287-L291 PolarHBondContact O-N 2.95Å; L287-A315 HydrophobicContact CD2-CB 4.06Å; L287-V318 HydrophobicContact CD1-CB 4.32Å; L287-V318 HydrophobicContact CD1-CG1 3.85Å; L287-L319 HydrophobicContact CB-CD1 4.21Å; L287-L319 HydrophobicContact CB-CD2 4.06Å; L287-L319 HydrophobicContact CB-CG 4.22Å; L287-L319 HydrophobicContact CD1-CD2 4.49Å
288G98.2Very high94.5Very high0 Ų020.9 Ų20.90%010%0.1CC..Hα-helixtrans-59.7-44.3176.600000112.4A284 E285 A286 L291 G292 A337 A341A284-G288 PolarHBondContact O-N 3.02Å; E285-G288 PolarHBondContact O-N 3.33Å; E285-G288 VanDerWaalsContact O-N 3.16Å; A286-G288 VanDerWaalsContact C-N 3.34Å; A286-G288 PolarHBondContact O-N 3Å; G288-L291 PolarHBondContact O-N 3.4Å; G288-G292 PolarHBondContact O-N 3.15Å; G288-A337 WeakPolarHBondContact CA-O 3.42Å; G288-A341 WeakPolarHBondContact O-CB 3.11Å
289S96.2Very high93.3Very high31 Ų3121.6 Ų21.622%0.21710%0.104CC..Hα-helixtrans-62.9-47.8177.6-57.50000111.5E285 A286 L287 L291 G292 E293E285-S289 PolarHBondContact O-N 3.1Å; E285-S289 PolarHBondContact O-OG 3.26Å; E285-S289 VanDerWaalsContact O-OG 3.14Å; A286-S289 PolarHBondContact O-N 3.02Å; L287-S289 VanDerWaalsContact C-N 3.33Å; L287-S289 PolarHBondContact O-N 3.3Å; S289-L291 PolarHBondContact O-N 2.94Å; S289-G292 PolarHBondContact O-N 3.2Å; S289-E293 WeakPolarHBondContact O-CG 3.36Å; S289-E293 PolarHBondContact O-N 3.25Å
290I95.9Very high91.5Very high0 Ų024.6 Ų24.60%012%0.122CC..Hα-helixtrans-64.3-41.6177.3-63.8159.6000111.4V263 L266 A286 L287 G292 E293 L294V263-I290 HydrophobicContact CG2-CB 4.45Å; V263-I290 HydrophobicContact CG2-CD1 4.46Å; V263-I290 HydrophobicContact CG2-CG2 3.59Å; L266-I290 HydrophobicContact CD1-CD1 3.32Å; A286-I290 WeakPolarHBondContact O-CD1 3.47Å; A286-I290 WeakPolarHBondContact O-CG1 3.4Å; A286-I290 PolarHBondContact O-N 3.34Å; L287-I290 PolarHBondContact O-N 3.28Å; I290-G292 PolarHBondContact O-N 2.72Å; I290-E293 PolarHBondContact O-N 3.1Å; I290-L294 HydrophobicContact CG2-CD1 3.9Å; I290-L294 HydrophobicContact CG2-CG 4.21Å; I290-L294 WeakPolarHBondContact O-CG 3.43Å; I290-L294 PolarHBondContact O-N 3.48Å
291L96Very high89.7Confident0 Ų030 Ų300%015%0.152CC..Hα-helixtrans-61.1-45.5-179.6177.862.1000111.3L287 G288 S289 E293 L294 E295 E312 A315 R316 L319 L338 A341L287-L291 WeakPolarHBondContact O-CB 3.08Å; L287-L291 PolarHBondContact O-N 2.95Å; G288-L291 PolarHBondContact O-N 3.4Å; S289-L291 PolarHBondContact O-N 2.94Å; L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 2.89Å; L291-L294 PolarHBondContact O-N 3.44Å; L291-E295 HydrophobicContact CD1-CG 3.92Å; L291-E295 HydrophobicContact CG-CG 4.4Å; L291-E295 WeakPolarHBondContact O-CG 3.38Å; L291-E295 PolarHBondContact O-N 2.94Å; L291-E312 HydrophobicContact CD1-CG 4.05Å; L291-A315 HydrophobicContact CB-CB 4.2Å; L291-A315 HydrophobicContact CD1-CB 4.21Å; L291-R316 HydrophobicContact CD1-CB 4.01Å; L291-R316 HydrophobicContact CD2-CB 3.84Å; L291-R316 HydrophobicContact CD2-CG 4.4Å; L291-L319 HydrophobicContact CD2-CD1 3.98Å; L291-L338 HydrophobicContact CD2-CD2 4.33Å; L291-A341 HydrophobicContact CB-CB 3.97Å; L291-A341 HydrophobicContact CD2-CB 3.76Å; L291-A341 HydrophobicContact CG-CB 3.82Å
292G94.2Very high87.8Confident0 Ų035.8 Ų35.80%018%0.183CC..Hα-helixtrans-57.8-42.9176.600000112.8G288 S289 I290 E295 G296 A341 I344G288-G292 PolarHBondContact O-N 3.15Å; S289-G292 PolarHBondContact O-N 3.2Å; I290-G292 PolarHBondContact O-N 2.72Å; G292-E295 PolarHBondContact O-N 2.98Å; G292-G296 PolarHBondContact O-N 3.45Å; G292-A341 WeakPolarHBondContact CA-O 3.46Å; G292-I344 VanDerWaalsContact C-CG2 3.46Å
293E92.1Very high85.9Confident48 Ų4837.1 Ų37.122%0.22419%0.192CC..Hα-helixtrans-68.2-33.8178-71.5-67.6153.800113.5T258 S289 I290 L291 K297 Y298 L299 I344T258-E293 HydrophobicContact CG2-CG 3.93Å; S289-E293 WeakPolarHBondContact O-CG 3.36Å; S289-E293 PolarHBondContact O-N 3.25Å; I290-E293 PolarHBondContact O-N 3.1Å; L291-E293 VanDerWaalsContact C-N 3.29Å; L291-E293 PolarHBondContact O-N 2.89Å; E293-K297 PolarHBondContact O-N 2.8Å; E293-Y298 PolarHBondContact O-N 2.99Å; E293-Y298 WeakPolarHBondContact OE2-CB 3.36Å; E293-L299 HydrophobicContact CB-CD1 3.57Å; E293-L299 HydrophobicContact CB-CG 3.76Å; E293-L299 PolarHBondContact O-N 2.95Å; E293-I344 HydrophobicContact CG-CG2 4.31Å
294L91.8Very high83.8Confident6 Ų646.9 Ų46.93%0.03124%0.235CC..Hα-helixtrans-67.9-49.9173.3-72.8173.2000111.5A260 V263 I290 L291 K297 L299 I307 F311 E312A260-L294 HydrophobicContact CB-CD2 3.85Å; V263-L294 HydrophobicContact CG2-CD1 4.49Å; I290-L294 HydrophobicContact CG2-CD1 3.9Å; I290-L294 HydrophobicContact CG2-CG 4.21Å; I290-L294 WeakPolarHBondContact O-CG 3.43Å; I290-L294 PolarHBondContact O-N 3.48Å; L291-L294 PolarHBondContact O-N 3.44Å; L294-K297 WeakPolarHBondContact O-CA 3.41Å; L294-K297 PolarHBondContact O-N 3.45Å; L294-L299 HydrophobicContact CD2-CB 4.45Å; L294-L299 HydrophobicContact CD2-CD1 3.9Å; L294-L299 HydrophobicContact CG-CD1 4.01Å; L294-I307 HydrophobicContact CD2-CD1 4.2Å; L294-I307 HydrophobicContact CD2-CG2 3.69Å; L294-F311 HydrophobicContact CD1-CB 4.28Å; L294-E312 HydrophobicContact CB-CB 4.33Å; L294-E312 HydrophobicContact CB-CG 4.37Å; L294-E312 HydrophobicContact CD1-CB 4.26Å
295E90.4Very high82.2Confident46 Ų4649.1 Ų49.122%0.21526%0.258CS..Hα-helixtrans-71.7-35.4-176.7-70.5-176.1157.500112.8L291 G292 K297 E312 R316 A345L291-E295 HydrophobicContact CD1-CG 3.92Å; L291-E295 HydrophobicContact CG-CG 4.4Å; L291-E295 WeakPolarHBondContact O-CG 3.38Å; L291-E295 PolarHBondContact O-N 2.94Å; G292-E295 PolarHBondContact O-N 2.98Å; E295-K297 PolarHBondContact O-N 3.11Å; E295-E312 HydrophobicContact CG-CG 3.83Å; E295-R316 IonicContact OE1-CZ 3.42Å; E295-R316 IonicContact OE1-NE 3.47Å; E295-R316 PolarHBondContact OE1-NE 3.39Å; E295-R316 IonicContact OE1-NH2 3.5Å; E295-R316 PolarHBondContact OE1-NH2 3.48Å; E295-R316 IonicContact OE2-CZ 2.72Å; E295-R316 IonicContact OE2-NH2 3.48Å; E295-R316 PolarHBondContact OE2-NH2 3.06Å; E295-A345 HydrophobicContact CB-CB 3.65Å
296G85.8Confident81Confident17 Ų1753.4 Ų53.418%0.17529%0.291CS..THydrogen-bonded Turntrans-67.6-8.4168.700000113.4G292 Y298G292-G296 PolarHBondContact O-N 3.45Å; G296-Y298 PolarHBondContact O-N 2.72Å
297K80.2Confident80.1Confident137 Ų13754.5 Ų54.560%0.59630%0.296SS*.THydrogen-bonded Turntrans6217.4-178.7-58.5175.8-175.6169.70113.9E293 L294 E295 T300 N301E293-K297 PolarHBondContact O-N 2.8Å; L294-K297 WeakPolarHBondContact O-CA 3.41Å; L294-K297 PolarHBondContact O-N 3.45Å; E295-K297 PolarHBondContact O-N 3.11Å; K297-T300 WeakPolarHBondContact CA-OG1 3.3Å; K297-T300 WeakPolarHBondContact CB-OG1 3.47Å; K297-T300 PolarHBondContact O-N 3.43Å; K297-T300 PolarHBondContact O-OG1 3.12Å; K297-N301 VanDerWaalsContact O-CG 3.23Å; K297-N301 PolarHBondContact O-N 3.29Å; K297-N301 PolarHBondContact O-ND2 3.42Å
298Y76.2Confident79.4Confident93 Ų9356.7 Ų56.737%0.36531%0.311SS..Hα-helixtrans-68.9-42-179.7-60-60.9000111.3E293 G296 T300 N301 N302 I344E293-Y298 PolarHBondContact O-N 2.99Å; E293-Y298 WeakPolarHBondContact OE2-CB 3.36Å; G296-Y298 PolarHBondContact O-N 2.72Å; Y298-T300 PolarHBondContact O-N 3.03Å; Y298-N301 PolarHBondContact O-N 3.36Å; Y298-N301 VanDerWaalsContact O-N 3.16Å; Y298-N302 PolarHBondContact O-N 3.36Å; Y298-N302 PolarHBondContact O-ND2 3.42Å; Y298-I344 HydrophobicContact CE2-CG2 4.42Å; Y298-I344 WeakPolarHBondContact CE2-O 3.19Å
299L72.7Confident78.8Confident18 Ų1865.4 Ų65.49%0.09435%0.349CS..Hα-helixtrans-66.1-38176.7-68166.5000112.2T258 A260 E293 L294 N301 N302 V303 I307T258-L299 VanDerWaalsContact O-CD1 3.26Å; T258-L299 WeakPolarHBondContact O-CD1 3.43Å; T258-L299 VanDerWaalsContact O-CD2 3.23Å; T258-L299 WeakPolarHBondContact O-CD2 3.49Å; A260-L299 HydrophobicContact CB-CD1 4.34Å; E293-L299 HydrophobicContact CB-CD1 3.57Å; E293-L299 HydrophobicContact CB-CG 3.76Å; E293-L299 PolarHBondContact O-N 2.95Å; L294-L299 HydrophobicContact CD2-CB 4.45Å; L294-L299 HydrophobicContact CD2-CD1 3.9Å; L294-L299 HydrophobicContact CG-CD1 4.01Å; L299-N301 PolarHBondContact O-N 3.27Å; L299-N301 VanDerWaalsContact O-N 3.17Å; L299-N302 PolarHBondContact O-N 3.12Å; L299-N302 VanDerWaalsContact O-N 3.09Å; L299-V303 PolarHBondContact O-N 3.1Å; L299-I307 VanDerWaalsContact C-CD1 3.46Å; L299-I307 HydrophobicContact CB-CD1 3.37Å
300T62.1Low78.7Confident63 Ų6369.5 Ų69.539%0.38737%0.365SS..Hα-helixtrans-64.2-21.3177.258.90000113K297 Y298 I307K297-T300 WeakPolarHBondContact CA-OG1 3.3Å; K297-T300 WeakPolarHBondContact CB-OG1 3.47Å; K297-T300 PolarHBondContact O-N 3.43Å; K297-T300 PolarHBondContact O-OG1 3.12Å; Y298-T300 PolarHBondContact O-N 3.03Å; T300-I307 HydrophobicContact CG2-CB 4.29Å; T300-I307 HydrophobicContact CG2-CD1 4.07Å; T300-I307 HydrophobicContact CG2-CG1 4.39Å
301N60.3Low78.7Confident124 Ų12471 Ų7166%0.66337%0.371SS*.Hα-helixtrans-87.3-20.9177.1-64.8-30.2000112.9K297 Y298 L299K297-N301 VanDerWaalsContact O-CG 3.23Å; K297-N301 PolarHBondContact O-N 3.29Å; K297-N301 PolarHBondContact O-ND2 3.42Å; Y298-N301 PolarHBondContact O-N 3.36Å; Y298-N301 VanDerWaalsContact O-N 3.16Å; L299-N301 PolarHBondContact O-N 3.27Å; L299-N301 VanDerWaalsContact O-N 3.17Å
302N58.6Low78.6Confident120 Ų12074.9 Ų74.964%0.64239%0.389SS*.Hα-helixtrans-100-16.3-172-70.7-26000114.3Y298 L299Y298-N302 PolarHBondContact O-N 3.36Å; Y298-N302 PolarHBondContact O-ND2 3.42Å; L299-N302 PolarHBondContact O-N 3.12Å; L299-N302 VanDerWaalsContact O-N 3.09Å
303V59.6Low78.7Confident45 Ų4581.1 Ų81.127%0.27342%0.418SS..SBendtrans-108.1136.4-177.4-172.90000111.5L299 G305L299-V303 PolarHBondContact O-N 3.1Å; V303-G305 VanDerWaalsContact C-N 3.27Å; V303-G305 PolarHBondContact O-N 2.94Å
304K55.6Low79Confident204 Ų20480.8 Ų80.889%0.88742%0.417SS*.SBendtrans-76.178.2169.7-80-176.4178.5172.40110
305G63.7Low79.3Confident48 Ų4880.5 Ų80.550%0.49542%0.415SS..SBendtrans164.6160.3177.800000111V303 I307V303-G305 VanDerWaalsContact C-N 3.27Å; V303-G305 PolarHBondContact O-N 2.94Å; G305-I307 PolarHBondContact O-N 3.42Å
306S73.9Confident79.6Confident119 Ų11980.8 Ų80.883%0.83241%0.414SS*.PPolyproline II helixtrans-77.8119.5169.954.10000109
307I80.6Confident80.2Confident25 Ų2584.1 Ų84.113%0.12843%0.425CS..PPolyproline II helixtrans-66.9130.7167.4-59.9177.2000108.1A260 L294 L299 T300 G305 K309 F311A260-I307 HydrophobicContact CB-CD1 4.19Å; A260-I307 HydrophobicContact CB-CG2 3.63Å; L294-I307 HydrophobicContact CD2-CD1 4.2Å; L294-I307 HydrophobicContact CD2-CG2 3.69Å; L299-I307 VanDerWaalsContact C-CD1 3.46Å; L299-I307 HydrophobicContact CB-CD1 3.37Å; T300-I307 HydrophobicContact CG2-CB 4.29Å; T300-I307 HydrophobicContact CG2-CD1 4.07Å; T300-I307 HydrophobicContact CG2-CG1 4.39Å; G305-I307 PolarHBondContact O-N 3.42Å; I307-K309 PolarHBondContact O-N 2.91Å; I307-F311 HydrophobicContact CG2-CD2 4.16Å
308P84.4Confident81.1Confident47 Ų4777.6 Ų77.631%0.30540%0.397SS..PPolyproline II helixtrans-62126.5178.6-17.229000111.2E310 F311P308-E310 WeakPolarHBondContact CA-OE2 3.39Å; P308-E310 HydrophobicContact CB-CG 3.84Å; P308-E310 WeakPolarHBondContact CB-OE1 3.11Å; P308-E310 WeakPolarHBondContact CB-OE2 3.32Å; P308-E310 PolarHBondContact O-N 3.1Å; P308-F311 HydrophobicContact CB-CD2 4.31Å; P308-F311 HydrophobicContact CB-CE2 4.25Å; P308-F311 HydrophobicContact CB-CZ 4.38Å; P308-F311 HydrophobicContact CG-CD2 4.1Å; P308-F311 HydrophobicContact CG-CE2 3.65Å; P308-F311 HydrophobicContact CG-CZ 3.9Å; P308-F311 PolarHBondContact O-N 3.12Å; P308-F311 VanDerWaalsContact O-N 3.11Å
309K85.5Confident82.2Confident182 Ų18273.1 Ų73.179%0.79138%0.379SS*.Hα-helixtrans-63-24-177.7-73.7-171.1175.8-173.10112.5I307 F311 E312 H313I307-K309 PolarHBondContact O-N 2.91Å; K309-F311 PolarHBondContact O-N 3.27Å; K309-E312 PolarHBondContact O-N 3.37Å; K309-H313 PolarHBondContact O-N 3.01Å
310E93.5Very high83.4Confident118 Ų11876.9 Ų76.955%0.55140%0.396SS*.Hα-helixtrans-60.4-26.9175.259.7-93.9-138.200113P308 H313 Q314P308-E310 WeakPolarHBondContact CA-OE2 3.39Å; P308-E310 HydrophobicContact CB-CG 3.84Å; P308-E310 WeakPolarHBondContact CB-OE1 3.11Å; P308-E310 WeakPolarHBondContact CB-OE2 3.32Å; P308-E310 PolarHBondContact O-N 3.1Å; E310-H313 PolarHBondContact O-N 3.48Å; E310-Q314 WeakPolarHBondContact O-CB 3.3Å; E310-Q314 PolarHBondContact O-N 2.84Å
311F94.9Very high85.1Confident32 Ų3278.9 Ų78.914%0.1440%0.401CS..Hα-helixtrans-69.3-40.5178.2-64.7-17.9000112A260 V263 P264 L294 I307 P308 K309 Q314 A315A260-F311 HydrophobicContact CB-CD2 4.16Å; A260-F311 VanDerWaalsContact O-CD2 3.24Å; A260-F311 WeakPolarHBondContact O-CD2 3.24Å; V263-F311 HydrophobicContact CB-CB 4.17Å; V263-F311 HydrophobicContact CB-CG 4.37Å; V263-F311 HydrophobicContact CG1-CB 4.27Å; V263-F311 HydrophobicContact CG2-CB 4.25Å; P264-F311 HydrophobicContact CG-CD1 4.16Å; P264-F311 HydrophobicContact CG-CE1 3.63Å; P264-F311 HydrophobicContact CG-CZ 4.24Å; L294-F311 HydrophobicContact CD1-CB 4.28Å; I307-F311 HydrophobicContact CG2-CD2 4.16Å; P308-F311 HydrophobicContact CB-CD2 4.31Å; P308-F311 HydrophobicContact CB-CE2 4.25Å; P308-F311 HydrophobicContact CB-CZ 4.38Å; P308-F311 HydrophobicContact CG-CD2 4.1Å; P308-F311 HydrophobicContact CG-CE2 3.65Å; P308-F311 HydrophobicContact CG-CZ 3.9Å; P308-F311 PolarHBondContact O-N 3.12Å; P308-F311 VanDerWaalsContact O-N 3.11Å; K309-F311 PolarHBondContact O-N 3.27Å; F311-Q314 PolarHBondContact O-N 2.95Å; F311-A315 WeakPolarHBondContact O-CB 3.29Å; F311-A315 PolarHBondContact O-N 3.11Å
312E94.4Very high87Confident81 Ų8173.7 Ų73.738%0.37937%0.373SS..Hα-helixtrans-60.8-49.8174.1-176.2-171.8124.400110.4L291 L294 E295 K309 Q314 A315 R316L291-E312 HydrophobicContact CD1-CG 4.05Å; L294-E312 HydrophobicContact CB-CB 4.33Å; L294-E312 HydrophobicContact CB-CG 4.37Å; L294-E312 HydrophobicContact CD1-CB 4.26Å; E295-E312 HydrophobicContact CG-CG 3.83Å; K309-E312 PolarHBondContact O-N 3.37Å; E312-Q314 PolarHBondContact O-N 3.21Å; E312-A315 PolarHBondContact O-N 3.05Å; E312-R316 PolarHBondContact O-N 2.81Å; E312-R316 VanDerWaalsContact O-N 3.13Å
313H95.9Very high88.9Confident131 Ų13169.8 Ų69.861%0.60635%0.353SS*.Hα-helixtrans-61.4-44.5179-176.353.5000112.2K309 E310 E317K309-H313 PolarHBondContact O-N 3.01Å; E310-H313 PolarHBondContact O-N 3.48Å; H313-E317 WeakPolarHBondContact O-CB 3.4Å; H313-E317 PolarHBondContact O-N 3.44Å
314Q98Very high90.7Very high41 Ų4176.1 Ų76.119%0.19238%0.377CS..Hα-helixtrans-64.2-46-179.4-178.3178.4-1.100112V263 S267 E310 F311 E312 E317 V318V263-Q314 HydrophobicContact CG1-CB 4.24Å; V263-Q314 HydrophobicContact CG1-CG 4.23Å; S267-Q314 VanDerWaalsContact CB-NE2 3.25Å; S267-Q314 WeakPolarHBondContact OG-CG 3.27Å; S267-Q314 PolarHBondContact OG-NE2 3.17Å; E310-Q314 WeakPolarHBondContact O-CB 3.3Å; E310-Q314 PolarHBondContact O-N 2.84Å; F311-Q314 PolarHBondContact O-N 2.95Å; E312-Q314 PolarHBondContact O-N 3.21Å; Q314-E317 PolarHBondContact O-N 3.22Å; Q314-V318 VanDerWaalsContact O-CG2 3.27Å; Q314-V318 WeakPolarHBondContact O-CG2 3.23Å; Q314-V318 PolarHBondContact O-N 3.19Å
315A98.3Very high92.7Very high0 Ų067.4 Ų67.40%034%0.34CS..Hα-helixtrans-60.9-47.3179.100000111V263 L287 L291 F311 E312 L319V263-A315 HydrophobicContact CG1-CB 4.04Å; V263-A315 HydrophobicContact CG2-CB 4.49Å; L287-A315 HydrophobicContact CD2-CB 4.06Å; L291-A315 HydrophobicContact CB-CB 4.2Å; L291-A315 HydrophobicContact CD1-CB 4.21Å; F311-A315 WeakPolarHBondContact O-CB 3.29Å; F311-A315 PolarHBondContact O-N 3.11Å; E312-A315 PolarHBondContact O-N 3.05Å; A315-L319 VanDerWaalsContact O-CG 3.3Å; A315-L319 WeakPolarHBondContact O-CG 3.3Å; A315-L319 PolarHBondContact O-N 2.95Å; A315-L319 VanDerWaalsContact O-N 3.1Å
316R98Very high94.4Very high52 Ų5274.7 Ų74.720%0.19636%0.358CS..Hα-helixtrans-64.1-46177.5-179.2166.7-72.8-75.31.6112.6L291 E295 E312 V318 L319 E320 N342L291-R316 HydrophobicContact CD1-CB 4.01Å; L291-R316 HydrophobicContact CD2-CB 3.84Å; L291-R316 HydrophobicContact CD2-CG 4.4Å; E295-R316 IonicContact OE1-CZ 3.42Å; E295-R316 IonicContact OE1-NE 3.47Å; E295-R316 PolarHBondContact OE1-NE 3.39Å; E295-R316 IonicContact OE1-NH2 3.5Å; E295-R316 PolarHBondContact OE1-NH2 3.48Å; E295-R316 IonicContact OE2-CZ 2.72Å; E295-R316 IonicContact OE2-NH2 3.48Å; E295-R316 PolarHBondContact OE2-NH2 3.06Å; E312-R316 PolarHBondContact O-N 2.81Å; E312-R316 VanDerWaalsContact O-N 3.13Å; R316-V318 VanDerWaalsContact C-N 3.34Å; R316-V318 PolarHBondContact O-N 3.43Å; R316-L319 PolarHBondContact O-N 3.48Å; R316-E320 WeakPolarHBondContact CD-OE1 3.45Å; R316-E320 HydrophobicContact CG-CG 4.23Å; R316-E320 VanDerWaalsContact CG-OE1 3.25Å; R316-E320 WeakPolarHBondContact CG-OE1 3.41Å; R316-E320 IonicContact NH1-OE1 2.69Å; R316-E320 WeakPolarHBondContact O-CB 3.37Å; R316-E320 WeakPolarHBondContact O-CG 3.41Å; R316-E320 PolarHBondContact O-N 2.92Å; R316-N342 PolarHBondContact NH2-OD1 3.23Å
317E98.3Very high95.5Very high86 Ų8672.5 Ų72.540%0.40234%0.335SS..Hα-helixtrans-55.6-48.8178.5-179.2-166.3-148.200111.1R271 H313 Q314 E320 E321R271-E317 IonicContact NH2-OE2 3.54Å; R271-E317 PolarHBondContact NH2-OE2 3.28Å; H313-E317 WeakPolarHBondContact O-CB 3.4Å; H313-E317 PolarHBondContact O-N 3.44Å; Q314-E317 PolarHBondContact O-N 3.22Å; E317-E320 PolarHBondContact O-N 3.2Å; E317-E321 VanDerWaalsContact O-CB 3.25Å; E317-E321 WeakPolarHBondContact O-CB 3.2Å; E317-E321 PolarHBondContact O-N 2.96Å
318V98.7Very high96.3Very high0 Ų073.9 Ų73.90%035%0.345CS..Hα-helixtrans-61.6-48.4179170.90000110.9V270 R271 L287 Q314 R316 E320 E321 F322V270-V318 HydrophobicContact CB-CG1 3.72Å; V270-V318 HydrophobicContact CG1-CG1 3.6Å; V270-V318 HydrophobicContact CG2-CG1 4.36Å; R271-V318 VanDerWaalsContact NH2-CG2 3.35Å; L287-V318 HydrophobicContact CD1-CB 4.32Å; L287-V318 HydrophobicContact CD1-CG1 3.85Å; Q314-V318 VanDerWaalsContact O-CG2 3.27Å; Q314-V318 WeakPolarHBondContact O-CG2 3.23Å; Q314-V318 PolarHBondContact O-N 3.19Å; R316-V318 VanDerWaalsContact C-N 3.34Å; R316-V318 PolarHBondContact O-N 3.43Å; V318-E320 VanDerWaalsContact C-N 3.34Å; V318-E320 PolarHBondContact O-N 2.98Å; V318-E321 PolarHBondContact O-N 3.24Å; V318-F322 HydrophobicContact CG1-CD2 4.15Å; V318-F322 VanDerWaalsContact O-CD2 3.27Å; V318-F322 WeakPolarHBondContact O-CD2 3.33Å; V318-F322 PolarHBondContact O-N 3.27Å
319L98.8Very high97Very high0 Ų072 Ų720%033%0.333CS..Hα-helixtrans-62-43.9-179.5-67.2175.6000111.6A284 L287 L291 A315 R316 F322 T323 C334 A337 L338A284-L319 HydrophobicContact CB-CD2 3.97Å; A284-L319 WeakPolarHBondContact O-CD2 3.49Å; L287-L319 HydrophobicContact CB-CD1 4.21Å; L287-L319 HydrophobicContact CB-CD2 4.06Å; L287-L319 HydrophobicContact CB-CG 4.22Å; L287-L319 HydrophobicContact CD1-CD2 4.49Å; L291-L319 HydrophobicContact CD2-CD1 3.98Å; A315-L319 VanDerWaalsContact O-CG 3.3Å; A315-L319 WeakPolarHBondContact O-CG 3.3Å; A315-L319 PolarHBondContact O-N 2.95Å; A315-L319 VanDerWaalsContact O-N 3.1Å; R316-L319 PolarHBondContact O-N 3.48Å; L319-F322 PolarHBondContact O-N 2.85Å; L319-T323 VanDerWaalsContact O-CG2 3.23Å; L319-T323 WeakPolarHBondContact O-CG2 3.49Å; L319-T323 PolarHBondContact O-N 3.05Å; L319-T323 VanDerWaalsContact O-N 3.11Å; L319-C334 HydrophobicContact CD2-CB 4.42Å; L319-C334 WeakPolarHBondContact O-CB 3.38Å; L319-A337 HydrophobicContact CD1-CB 3.98Å; L319-A337 HydrophobicContact CD2-CB 3.81Å; L319-L338 HydrophobicContact CB-CD1 4.26Å; L319-L338 HydrophobicContact CB-CD2 3.82Å; L319-L338 HydrophobicContact CB-CG 3.85Å; L319-L338 HydrophobicContact CD1-CD2 4.23Å; L319-L338 HydrophobicContact CD1-CG 4.43Å
320E98.7Very high97.6Very high96 Ų9663.4 Ų63.445%0.44930%0.296SS..Hα-helixtrans-63.1-44.1177.5-73.3176.5-178.700112.5R316 E317 V318 F322 T323 L338R316-E320 WeakPolarHBondContact CD-OE1 3.45Å; R316-E320 HydrophobicContact CG-CG 4.23Å; R316-E320 VanDerWaalsContact CG-OE1 3.25Å; R316-E320 WeakPolarHBondContact CG-OE1 3.41Å; R316-E320 IonicContact NH1-OE1 2.69Å; R316-E320 WeakPolarHBondContact O-CB 3.37Å; R316-E320 WeakPolarHBondContact O-CG 3.41Å; R316-E320 PolarHBondContact O-N 2.92Å; E317-E320 PolarHBondContact O-N 3.2Å; V318-E320 VanDerWaalsContact C-N 3.34Å; V318-E320 PolarHBondContact O-N 2.98Å; E320-F322 VanDerWaalsContact C-N 3.32Å; E320-F322 PolarHBondContact O-N 3.37Å; E320-T323 PolarHBondContact O-N 3.09Å; E320-T323 PolarHBondContact O-OG1 3.4Å; E320-L338 HydrophobicContact CG-CD1 4.08Å; E320-L338 HydrophobicContact CG-CD2 4.21Å
321E98.4Very high97.9Very high105 Ų10561.3 Ų61.349%0.49128%0.283SS..Hα-helixtrans-56.9-46176.3-177.8-177.8-17800111.1R271 E317 V318R271-E321 IonicContact NE-OE2 2.72Å; R271-E321 IonicContact NH2-OE2 2.78Å; E317-E321 VanDerWaalsContact O-CB 3.25Å; E317-E321 WeakPolarHBondContact O-CB 3.2Å; E317-E321 PolarHBondContact O-N 2.96Å; V318-E321 PolarHBondContact O-N 3.24Å
322F98.6Very high98Very high16 Ų1661.6 Ų61.67%0.0729%0.285CS..Hα-helixtrans-88.4-0.6-172.6-75.1-89000114.6V270 R271 V318 L319 E320 K324 D325 R331 C334V270-F322 HydrophobicContact CG1-CB 4.1Å; V270-F322 HydrophobicContact CG1-CD1 4.3Å; V270-F322 HydrophobicContact CG1-CD2 3.96Å; V270-F322 HydrophobicContact CG1-CG 3.82Å; R271-F322 HydrophobicContact CB-CE2 4.36Å; R271-F322 HydrophobicContact CB-CZ 4.25Å; R271-F322 HydrophobicContact CG-CE2 3.55Å; R271-F322 HydrophobicContact CG-CZ 3.91Å; V318-F322 HydrophobicContact CG1-CD2 4.15Å; V318-F322 VanDerWaalsContact O-CD2 3.27Å; V318-F322 WeakPolarHBondContact O-CD2 3.33Å; V318-F322 PolarHBondContact O-N 3.27Å; L319-F322 PolarHBondContact O-N 2.85Å; E320-F322 VanDerWaalsContact C-N 3.32Å; E320-F322 PolarHBondContact O-N 3.37Å; F322-K324 PolarHBondContact O-N 3.06Å; F322-D325 HydrophobicContact CD1-CB 4.05Å; F322-D325 WeakPolarHBondContact CD1-OD2 3.29Å; F322-D325 WeakPolarHBondContact CE1-OD2 3.34Å; F322-D325 WeakPolarHBondContact O-CB 3.38Å; F322-D325 PolarHBondContact O-N 3.21Å; F322-R331 WeakPolarHBondContact O-CA 3.39Å; F322-C334 WeakPolarHBondContact CB-SG 3.48Å
323T98.6Very high98.3Very high37 Ų3757.8 Ų57.823%0.22727%0.267CS..THydrogen-bonded Turntrans-60.6-3.6163.164.50000114.3L319 E320 R331 C334 V335 L338L319-T323 VanDerWaalsContact O-CG2 3.23Å; L319-T323 WeakPolarHBondContact O-CG2 3.49Å; L319-T323 PolarHBondContact O-N 3.05Å; L319-T323 VanDerWaalsContact O-N 3.11Å; E320-T323 PolarHBondContact O-N 3.09Å; E320-T323 PolarHBondContact O-OG1 3.4Å; T323-R331 WeakPolarHBondContact O-CD 3.26Å; T323-R331 WeakPolarHBondContact O-CG 3.23Å; T323-C334 HydrophobicContact CG2-CB 4.12Å; T323-V335 HydrophobicContact CG2-CG2 4.06Å; T323-L338 HydrophobicContact CG2-CD1 3.65Å
324K98Very high98.4Very high179 Ų17951.5 Ų51.578%0.77824%0.238SC*.THydrogen-bonded Turntrans-121.814.3175.8-60.5172.6-171.8164.30112.7F322F322-K324 PolarHBondContact O-N 3.06Å
325D98.6Very high98.4Very high21 Ų2152.1 Ų52.111%0.11224%0.244CC..  trans-58.3150.9179.2-161.1-75.3000111.2R280 F322 E327 V330 R331R280-D325 IonicContact CZ-OD2 3.69Å; R280-D325 IonicContact NH1-OD1 3.64Å; R280-D325 PolarHBondContact NH1-OD1 2.82Å; R280-D325 IonicContact NH1-OD2 2.91Å; R280-D325 PolarHBondContact NH1-OD2 3.5Å; R280-D325 IonicContact NH2-OD2 3.79Å; R280-D325 PolarHBondContact NH2-OD2 3.22Å; F322-D325 HydrophobicContact CD1-CB 4.05Å; F322-D325 WeakPolarHBondContact CD1-OD2 3.29Å; F322-D325 WeakPolarHBondContact CE1-OD2 3.34Å; F322-D325 WeakPolarHBondContact O-CB 3.38Å; F322-D325 PolarHBondContact O-N 3.21Å; D325-E327 VanDerWaalsContact C-N 3.33Å; D325-E327 WeakPolarHBondContact OD1-CB 3.33Å; D325-E327 PolarHBondContact OD1-N 3.09Å; D325-V330 HydrophobicContact CB-CB 4.32Å; D325-V330 HydrophobicContact CB-CG1 4.17Å; D325-R331 HydrophobicContact CB-CB 4.31Å; D325-R331 PolarHBondContact O-NH1 3.22Å
326K97.8Very high98.4Very high201 Ų20152.1 Ų52.187%0.87424%0.244SC*.SBendtrans-70.2-33.9178.2-65.6179.9-178.9175.30111.3P328K326-P328 VanDerWaalsContact O-CD 3.3Å; K326-P328 WeakPolarHBondContact O-CD 3.44Å
327E98.1Very high98.5Very high72 Ų7249.7 Ų49.734%0.33624%0.235SC..SBendtrans-75.1114176.9-17552.6-123.600109.8P277 D325 V329 V330 R331P277-E327 HydrophobicContact CB-CG 3.71Å; P277-E327 HydrophobicContact CG-CG 3.84Å; D325-E327 VanDerWaalsContact C-N 3.33Å; D325-E327 WeakPolarHBondContact OD1-CB 3.33Å; D325-E327 PolarHBondContact OD1-N 3.09Å; E327-V329 VanDerWaalsContact C-N 3.33Å; E327-V329 PolarHBondContact O-N 3.4Å; E327-V330 HydrophobicContact CB-CB 4.26Å; E327-V330 HydrophobicContact CB-CG2 4.03Å; E327-V330 HydrophobicContact CG-CB 4.44Å; E327-V330 HydrophobicContact CG-CG2 3.86Å; E327-V330 PolarHBondContact O-N 3.35Å; E327-R331 PolarHBondContact O-N 2.88Å
328P97.6Very high98.5Very high54 Ų5446.7 Ų46.735%0.35122%0.221SC..Hα-helixtrans-56-43.5-176-2837.2000114.3K326 V330 R331 E332K326-P328 VanDerWaalsContact O-CD 3.3Å; K326-P328 WeakPolarHBondContact O-CD 3.44Å; P328-V330 PolarHBondContact O-N 3.37Å; P328-R331 PolarHBondContact O-N 3.5Å; P328-E332 VanDerWaalsContact O-CB 3.24Å; P328-E332 WeakPolarHBondContact O-CB 3.25Å; P328-E332 WeakPolarHBondContact O-CG 3.15Å; P328-E332 PolarHBondContact O-N 3.16Å
329V98.2Very high98.3Very high9 Ų947.9 Ų47.96%0.05523%0.228CC..Hα-helixtrans-62.2-42.2-178.8137.60000111.8D63 L64 L97 H281 E327 S333D63-V329 HydrophobicContact CB-CG2 4.16Å; L64-V329 HydrophobicContact CB-CG2 4.18Å; L97-V329 HydrophobicContact CD2-CG2 3.78Å; H281-V329 HydrophobicContact CB-CG1 3.41Å; H281-V329 VanDerWaalsContact CB-CG1 3.41Å; E327-V329 VanDerWaalsContact C-N 3.33Å; E327-V329 PolarHBondContact O-N 3.4Å; V329-S333 WeakPolarHBondContact O-CB 3.21Å; V329-S333 PolarHBondContact O-N 3.07Å; V329-S333 PolarHBondContact O-OG 3.06Å
330V98.8Very high98.1Very high0 Ų049.5 Ų49.50%024%0.236CC..Hα-helixtrans-66.2-46.7176.2-179.60000111R280 D325 E327 P328 E332 S333 C334R280-V330 HydrophobicContact CB-CG1 4.42Å; R280-V330 HydrophobicContact CB-CG2 3.56Å; D325-V330 HydrophobicContact CB-CB 4.32Å; D325-V330 HydrophobicContact CB-CG1 4.17Å; E327-V330 HydrophobicContact CB-CB 4.26Å; E327-V330 HydrophobicContact CB-CG2 4.03Å; E327-V330 HydrophobicContact CG-CB 4.44Å; E327-V330 HydrophobicContact CG-CG2 3.86Å; E327-V330 PolarHBondContact O-N 3.35Å; P328-V330 PolarHBondContact O-N 3.37Å; V330-E332 VanDerWaalsContact C-N 3.32Å; V330-E332 PolarHBondContact O-N 3.45Å; V330-S333 PolarHBondContact O-N 3.13Å; V330-C334 PolarHBondContact O-N 3.02Å; V330-C334 PolarHBondContact O-SG 2.89Å; V330-C334 VanDerWaalsContact O-SG 3.35Å
331R98.7Very high97.9Very high74 Ų7444.9 Ų44.928%0.27922%0.215SC..Hα-helixtrans-58.1-46.5180-179.6175.464.2-98.4-8.2112.1F322 T323 D325 E327 P328 C334 V335F322-R331 WeakPolarHBondContact O-CA 3.39Å; T323-R331 WeakPolarHBondContact O-CD 3.26Å; T323-R331 WeakPolarHBondContact O-CG 3.23Å; D325-R331 HydrophobicContact CB-CB 4.31Å; D325-R331 PolarHBondContact O-NH1 3.22Å; E327-R331 PolarHBondContact O-N 2.88Å; P328-R331 PolarHBondContact O-N 3.5Å; R331-C334 PolarHBondContact O-N 3.26Å; R331-V335 WeakPolarHBondContact O-CG2 3.25Å; R331-V335 PolarHBondContact O-N 2.64Å
332E98.7Very high97.7Very high39 Ų3943.7 Ų43.718%0.18221%0.212CC..Hα-helixtrans-68.8-42.5-178.2-71.5175-165.400110.9L25 N62 L64 P328 V330 C334 V335 L336L25-E332 HydrophobicContact CD2-CB 3.62Å; L25-E332 HydrophobicContact CD2-CG 3.85Å; N62-E332 PolarHBondContact ND2-OE2 3.46Å; N62-E332 PolarHBondContact OD1-OE2 3.06Å; L64-E332 HydrophobicContact CD2-CB 3.59Å; P328-E332 VanDerWaalsContact O-CB 3.24Å; P328-E332 WeakPolarHBondContact O-CB 3.25Å; P328-E332 WeakPolarHBondContact O-CG 3.15Å; P328-E332 PolarHBondContact O-N 3.16Å; V330-E332 VanDerWaalsContact C-N 3.32Å; V330-E332 PolarHBondContact O-N 3.45Å; E332-C334 VanDerWaalsContact C-N 3.34Å; E332-C334 PolarHBondContact O-N 3.3Å; E332-V335 WeakPolarHBondContact O-CB 2.98Å; E332-V335 PolarHBondContact O-N 3.33Å; E332-V335 VanDerWaalsContact O-N 3.14Å; E332-L336 PolarHBondContact O-N 3.09Å
333S98.8Very high97.2Very high0 Ų045.1 Ų45.10%022%0.217CC..Hα-helixtrans-61.8-38.7173.4-70.40000112.4L64 H281 E285 V329 V330 V335 L336 A337L64-S333 WeakPolarHBondContact CD1-OG 3.26Å; L64-S333 WeakPolarHBondContact CD2-OG 3.37Å; H281-S333 WeakPolarHBondContact CB-OG 3.49Å; E285-S333 PolarHBondContact OE1-OG 3.32Å; V329-S333 WeakPolarHBondContact O-CB 3.21Å; V329-S333 PolarHBondContact O-N 3.07Å; V329-S333 PolarHBondContact O-OG 3.06Å; V330-S333 PolarHBondContact O-N 3.13Å; S333-V335 VanDerWaalsContact C-N 3.33Å; S333-V335 PolarHBondContact O-N 3.41Å; S333-L336 PolarHBondContact O-N 2.87Å; S333-A337 WeakPolarHBondContact O-CB 3.25Å; S333-A337 PolarHBondContact O-N 3.35Å
334C98.8Very high96.7Very high0 Ų045.1 Ų45.10%022%0.215CC..Hα-helixtrans-62.9-37.7174.2-70.50000113L319 F322 T323 V330 R331 E332 L338L319-C334 HydrophobicContact CD2-CB 4.42Å; L319-C334 WeakPolarHBondContact O-CB 3.38Å; F322-C334 WeakPolarHBondContact CB-SG 3.48Å; T323-C334 HydrophobicContact CG2-CB 4.12Å; V330-C334 PolarHBondContact O-N 3.02Å; V330-C334 PolarHBondContact O-SG 2.89Å; V330-C334 VanDerWaalsContact O-SG 3.35Å; R331-C334 PolarHBondContact O-N 3.26Å; E332-C334 VanDerWaalsContact C-N 3.34Å; E332-C334 PolarHBondContact O-N 3.3Å; C334-L338 WeakPolarHBondContact O-CG 3.42Å; C334-L338 PolarHBondContact O-N 2.87Å; C334-L338 VanDerWaalsContact O-N 3.16Å
335V98.7Very high96.1Very high53 Ų5337.7 Ų37.732%0.32119%0.187SC..Hα-helixtrans-64.8-46.5175.3170.20000110.8L25 V26 T323 R331 E332 S333 L338 D339L25-V335 HydrophobicContact CD2-CB 4.29Å; L25-V335 HydrophobicContact CD2-CG1 4.24Å; V26-V335 HydrophobicContact CG2-CG1 4.26Å; T323-V335 HydrophobicContact CG2-CG2 4.06Å; R331-V335 WeakPolarHBondContact O-CG2 3.25Å; R331-V335 PolarHBondContact O-N 2.64Å; E332-V335 WeakPolarHBondContact O-CB 2.98Å; E332-V335 PolarHBondContact O-N 3.33Å; E332-V335 VanDerWaalsContact O-N 3.14Å; S333-V335 VanDerWaalsContact C-N 3.33Å; S333-V335 PolarHBondContact O-N 3.41Å; V335-L338 PolarHBondContact O-N 3.03Å; V335-D339 PolarHBondContact O-N 3.44Å
336L98.4Very high95.4Very high1 Ų138 Ų381%0.00519%0.191CC..Hα-helixtrans-68.2-40.5178.8-66.6-174.3000112.1L25 V26 L64 L65 E332 S333 L338 D339 I340L25-L336 HydrophobicContact CD2-CD1 4.34Å; L25-L336 HydrophobicContact CD2-CD2 4.03Å; L25-L336 HydrophobicContact CD2-CG 3.85Å; L25-L336 HydrophobicContact CG-CD1 4.35Å; L25-L336 HydrophobicContact CG-CD2 3.88Å; L25-L336 HydrophobicContact CG-CG 4.12Å; V26-L336 HydrophobicContact CG2-CD2 4.12Å; L64-L336 HydrophobicContact CD2-CD1 3.74Å; L65-L336 HydrophobicContact CD2-CD1 4.17Å; E332-L336 PolarHBondContact O-N 3.09Å; S333-L336 PolarHBondContact O-N 2.87Å; L336-L338 VanDerWaalsContact C-N 3.29Å; L336-L338 PolarHBondContact O-N 2.73Å; L336-D339 WeakPolarHBondContact O-CB 3.49Å; L336-D339 PolarHBondContact O-N 2.78Å; L336-I340 WeakPolarHBondContact O-CG1 3.38Å; L336-I340 PolarHBondContact O-N 3.44Å
337A98.5Very high93.9Very high0 Ų033.1 Ų33.10%018%0.18CC..Hα-helixtrans-58.1-39.5176.300000112.4A284 G288 L319 S333 A341A284-A337 WeakPolarHBondContact O-CB 3.35Å; G288-A337 WeakPolarHBondContact CA-O 3.42Å; L319-A337 HydrophobicContact CD1-CB 3.98Å; L319-A337 HydrophobicContact CD2-CB 3.81Å; S333-A337 WeakPolarHBondContact O-CB 3.25Å; S333-A337 PolarHBondContact O-N 3.35Å; A337-A341 VanDerWaalsContact O-CB 3.32Å; A337-A341 WeakPolarHBondContact O-CB 3.21Å; A337-A341 PolarHBondContact O-N 2.93Å
338L98.3Very high91.8Very high23 Ų2337.8 Ų37.812%0.1220%0.201CC..Hα-helixtrans-68.7-38.4174-72.4166000112.4L291 L319 E320 T323 C334 V335 L336 N342L291-L338 HydrophobicContact CD2-CD2 4.33Å; L319-L338 HydrophobicContact CB-CD1 4.26Å; L319-L338 HydrophobicContact CB-CD2 3.82Å; L319-L338 HydrophobicContact CB-CG 3.85Å; L319-L338 HydrophobicContact CD1-CD2 4.23Å; L319-L338 HydrophobicContact CD1-CG 4.43Å; E320-L338 HydrophobicContact CG-CD1 4.08Å; E320-L338 HydrophobicContact CG-CD2 4.21Å; T323-L338 HydrophobicContact CG2-CD1 3.65Å; C334-L338 WeakPolarHBondContact O-CG 3.42Å; C334-L338 PolarHBondContact O-N 2.87Å; C334-L338 VanDerWaalsContact O-N 3.16Å; V335-L338 PolarHBondContact O-N 3.03Å; L336-L338 VanDerWaalsContact C-N 3.29Å; L336-L338 PolarHBondContact O-N 2.73Å; L338-N342 WeakPolarHBondContact O-CB 3.27Å; L338-N342 PolarHBondContact O-N 2.78Å; L338-N342 PolarHBondContact O-ND2 3.34Å; L338-N342 VanDerWaalsContact O-ND2 3.11Å
339D96.3Very high89.6Confident26 Ų2639.3 Ų39.314%0.13920%0.204CC..Hα-helixtrans-63.5-44.7173.9-175.672.2000111.4V26 R30 V335 L336 N342 Y343 Y352V26-D339 HydrophobicContact CG1-CB 4.26Å; V26-D339 VanDerWaalsContact CG1-CG 3.46Å; V26-D339 WeakPolarHBondContact CG1-OD1 3.46Å; V26-D339 HydrophobicContact CG2-CB 4.02Å; R30-D339 IonicContact CZ-OD1 2.66Å; R30-D339 IonicContact CZ-OD2 3.14Å; R30-D339 IonicContact NE-OD1 3.86Å; R30-D339 IonicContact NE-OD2 3.87Å; R30-D339 PolarHBondContact NE-OD2 3.13Å; R30-D339 VanDerWaalsContact NE-OD2 3.12Å; R30-D339 VanDerWaalsContact NH2-CG 3.26Å; R30-D339 IonicContact NH2-OD1 3.38Å; R30-D339 PolarHBondContact NH2-OD1 3.02Å; R30-D339 IonicContact NH2-OD2 2.64Å; R30-D339 PolarHBondContact NH2-OD2 3.45Å; V335-D339 PolarHBondContact O-N 3.44Å; L336-D339 WeakPolarHBondContact O-CB 3.49Å; L336-D339 PolarHBondContact O-N 2.78Å; D339-N342 PolarHBondContact O-N 2.72Å; D339-Y343 WeakPolarHBondContact O-CB 3.15Å; D339-Y343 PolarHBondContact O-N 2.69Å; D339-Y352 WeakPolarHBondContact OD2-CE2 3.43Å; D339-Y352 PolarHBondContact OD2-OH 2.95Å; D339-Y352 VanDerWaalsContact OD2-OH 3.06Å
340I93.6Very high87Confident33 Ų3347.2 Ų47.217%0.16924%0.238CC..Hα-helixtrans-61.4-47.1176.2-69.6167.3000110.5L336 N342 Y343 I344 Y352L336-I340 WeakPolarHBondContact O-CG1 3.38Å; L336-I340 PolarHBondContact O-N 3.44Å; I340-N342 VanDerWaalsContact C-N 3.35Å; I340-N342 PolarHBondContact O-N 3.45Å; I340-Y343 WeakPolarHBondContact O-CB 3.24Å; I340-Y343 PolarHBondContact O-N 3Å; I340-Y343 VanDerWaalsContact O-N 3.15Å; I340-I344 HydrophobicContact CG2-CD1 3.58Å; I340-I344 HydrophobicContact CG2-CG1 4.23Å; I340-I344 WeakPolarHBondContact O-CG1 3.15Å; I340-I344 PolarHBondContact O-N 2.78Å; I340-Y352 HydrophobicContact CG1-CE1 4.28Å; I340-Y352 VanDerWaalsContact CG1-OH 3.24Å; I340-Y352 WeakPolarHBondContact CG1-OH 3.03Å
341A95.2Very high84.2Confident0 Ų053.6 Ų53.60%027%0.268CS..Hα-helixtrans-58.4-47.7178.500000111.6G288 L291 G292 A337 Y343 I344 A345G288-A341 WeakPolarHBondContact O-CB 3.11Å; L291-A341 HydrophobicContact CB-CB 3.97Å; L291-A341 HydrophobicContact CD2-CB 3.76Å; L291-A341 HydrophobicContact CG-CB 3.82Å; G292-A341 WeakPolarHBondContact CA-O 3.46Å; A337-A341 VanDerWaalsContact O-CB 3.32Å; A337-A341 WeakPolarHBondContact O-CB 3.21Å; A337-A341 PolarHBondContact O-N 2.93Å; A341-Y343 VanDerWaalsContact C-N 3.29Å; A341-Y343 PolarHBondContact O-N 2.46Å; A341-I344 PolarHBondContact O-N 3.47Å; A341-A345 VanDerWaalsContact O-CB 3.29Å; A341-A345 WeakPolarHBondContact O-CB 3.43Å; A341-A345 PolarHBondContact O-N 3.39Å
342N93.3Very high81.7Confident79 Ų7951.7 Ų51.742%0.42226%0.261SS..Hα-helixtrans-62.8-36.6177.4-66.8-24.5000112.1R316 L338 D339 I340 S346R316-N342 PolarHBondContact NH2-OD1 3.23Å; L338-N342 WeakPolarHBondContact O-CB 3.27Å; L338-N342 PolarHBondContact O-N 2.78Å; L338-N342 PolarHBondContact O-ND2 3.34Å; L338-N342 VanDerWaalsContact O-ND2 3.11Å; D339-N342 PolarHBondContact O-N 2.72Å; I340-N342 VanDerWaalsContact C-N 3.35Å; I340-N342 PolarHBondContact O-N 3.45Å; N342-S346 WeakPolarHBondContact O-CB 3.32Å; N342-S346 PolarHBondContact O-N 3.37Å
343Y88.4Confident79.3Confident46 Ų4650.8 Ų50.818%0.1826%0.26CS..Hα-helixtrans-64.8-53.9175.1171.5-94.4000111.6D339 I340 A341 A345 S346 Q349 Q351 Y352D339-Y343 WeakPolarHBondContact O-CB 3.15Å; D339-Y343 PolarHBondContact O-N 2.69Å; I340-Y343 WeakPolarHBondContact O-CB 3.24Å; I340-Y343 PolarHBondContact O-N 3Å; I340-Y343 VanDerWaalsContact O-N 3.15Å; A341-Y343 VanDerWaalsContact C-N 3.29Å; A341-Y343 PolarHBondContact O-N 2.46Å; Y343-A345 VanDerWaalsContact C-N 3.27Å; Y343-A345 PolarHBondContact O-N 3.01Å; Y343-S346 WeakPolarHBondContact O-CB 3.42Å; Y343-S346 PolarHBondContact O-N 3.36Å; Y343-Q349 HydrophobicContact CD2-CB 3.51Å; Y343-Q349 HydrophobicContact CD2-CG 4.46Å; Y343-Q349 VanDerWaalsContact CD2-OE1 3.32Å; Y343-Q349 HydrophobicContact CE2-CB 3.57Å; Y343-Q349 WeakPolarHBondContact CE2-O 3.38Å; Y343-Q349 PolarHBondContact OH-O 3.17Å; Y343-Q351 PolarHBondContact OH-N 3.31Å; Y343-Y352 AromaticContact CD1-CD2 3.66Å; Y343-Y352 HydrophobicContact CD1-CD2 3.66Å; Y343-Y352 HydrophobicContact CD1-CE2 4.43Å; Y343-Y352 AromaticContact CD1-CG 3.82Å; Y343-Y352 HydrophobicContact CD1-CG 3.82Å; Y343-Y352 AromaticContact CD2-CD2 3.41Å; Y343-Y352 HydrophobicContact CD2-CD2 3.41Å; Y343-Y352 VanDerWaalsContact CD2-CD2 3.41Å; Y343-Y352 HydrophobicContact CD2-CE2 4.36Å; Y343-Y352 HydrophobicContact CD2-CG 4.05Å; Y343-Y352 HydrophobicContact CE1-CD2 4.27Å; Y343-Y352 HydrophobicContact CE1-CG 4.06Å; Y343-Y352 VanDerWaalsContact CE2-CB 3.41Å; Y343-Y352 HydrophobicContact CE2-CD2 4.02Å; Y343-Y352 HydrophobicContact CE2-CG 4.23Å; Y343-Y352 AromaticContact CG-CD2 3.21Å; Y343-Y352 HydrophobicContact CG-CD2 3.21Å; Y343-Y352 AromaticContact CG-CE2 3.91Å; Y343-Y352 HydrophobicContact CG-CE2 3.91Å; Y343-Y352 AromaticContact CG-CG 3.85Å; Y343-Y352 HydrophobicContact CG-CG 3.85Å; Y343-Y352 PolarHBondContact OH-N 3.19Å
344I87.1Confident76.5Confident37 Ų3752.9 Ų52.919%0.1928%0.277CS..Hα-helixtrans-59.5-42-178.1-66.9169.7000110.1G292 E293 Y298 I340 A341 S346G292-I344 VanDerWaalsContact C-CG2 3.46Å; E293-I344 HydrophobicContact CG-CG2 4.31Å; Y298-I344 HydrophobicContact CE2-CG2 4.42Å; Y298-I344 WeakPolarHBondContact CE2-O 3.19Å; I340-I344 HydrophobicContact CG2-CD1 3.58Å; I340-I344 HydrophobicContact CG2-CG1 4.23Å; I340-I344 WeakPolarHBondContact O-CG1 3.15Å; I340-I344 PolarHBondContact O-N 2.78Å; A341-I344 PolarHBondContact O-N 3.47Å; I344-S346 PolarHBondContact O-N 2.96Å
345A86.9Confident73.6Confident23 Ų2353.8 Ų53.819%0.1928%0.283CS..Hα-helixtrans-70.3-16.5179.300000113.8E295 A341 Y343 P347E295-A345 HydrophobicContact CB-CB 3.65Å; A341-A345 VanDerWaalsContact O-CB 3.29Å; A341-A345 WeakPolarHBondContact O-CB 3.43Å; A341-A345 PolarHBondContact O-N 3.39Å; Y343-A345 VanDerWaalsContact C-N 3.27Å; Y343-A345 PolarHBondContact O-N 3.01Å; A345-P347 WeakPolarHBondContact O-CD 3.49Å
346S84.3Confident70.5Confident28 Ų2853.7 Ų53.720%0.19628%0.284CS..  trans-79.7122.9-174.7-173.50000111.7N342 Y343 I344 E348 Q349N342-S346 WeakPolarHBondContact O-CB 3.32Å; N342-S346 PolarHBondContact O-N 3.37Å; Y343-S346 WeakPolarHBondContact O-CB 3.42Å; Y343-S346 PolarHBondContact O-N 3.36Å; I344-S346 PolarHBondContact O-N 2.96Å; S346-E348 PolarHBondContact O-N 3.28Å; S346-E348 PolarHBondContact OG-N 2.83Å; S346-Q349 PolarHBondContact OG-N 3.37Å; S346-Q349 VanDerWaalsContact OG-N 3.1Å
347P65.8Low67.9Low98 Ų9861.5 Ų61.564%0.63632%0.32SS*.SBendtrans-72.4-12.9171.128.2-31.3000113A345A345-P347 WeakPolarHBondContact O-CD 3.49Å
348E53.9Low64.7Low170 Ų17071.3 Ų71.379%0.79437%0.372SS*.SBendtrans-107.9-26.6-170.3-67.2172.4-172.200112.8S346 F350S346-E348 PolarHBondContact O-N 3.28Å; S346-E348 PolarHBondContact OG-N 2.83Å; E348-F350 VanDerWaalsContact C-N 3.28Å; E348-F350 PolarHBondContact O-N 3.48Å
349Q51.9Low63.1Low86 Ų8673.8 Ų73.840%0.40239%0.385SS..  trans-80.180.4173.8-63.1-175.9-1.500109.2Y343 S346 Q351Y343-Q349 HydrophobicContact CD2-CB 3.51Å; Y343-Q349 HydrophobicContact CD2-CG 4.46Å; Y343-Q349 VanDerWaalsContact CD2-OE1 3.32Å; Y343-Q349 HydrophobicContact CE2-CB 3.57Å; Y343-Q349 WeakPolarHBondContact CE2-O 3.38Å; Y343-Q349 PolarHBondContact OH-O 3.17Å; S346-Q349 PolarHBondContact OG-N 3.37Å; S346-Q349 VanDerWaalsContact OG-N 3.1Å; Q349-Q351 PolarHBondContact O-N 3.11Å
350F42.5Very low61.3Low176 Ų17676.3 Ų76.377%0.77240%0.398SS*.  trans-75.91.7173.5-101.6-92.8000113.6E348E348-F350 VanDerWaalsContact C-N 3.28Å; E348-F350 PolarHBondContact O-N 3.48Å
351Q40.9Very low59.5Low133 Ų13378.7 Ų78.762%0.62141%0.411SS*.  trans-13780-172-69.9-176.1-9.600113.5Y343 Q349Y343-Q351 PolarHBondContact OH-N 3.31Å; Q349-Q351 PolarHBondContact O-N 3.11Å
352Y44.4Very low57.4Low34 Ų3483.3 Ų83.313%0.13344%0.435CS..SBendtrans-89.395.4154.1-146.6-107.2000106.1R30 D339 I340 Y343 A354R30-Y352 HydrophobicContact CG-CE2 4.37Å; D339-Y352 WeakPolarHBondContact OD2-CE2 3.43Å; D339-Y352 PolarHBondContact OD2-OH 2.95Å; D339-Y352 VanDerWaalsContact OD2-OH 3.06Å; I340-Y352 HydrophobicContact CG1-CE1 4.28Å; I340-Y352 VanDerWaalsContact CG1-OH 3.24Å; I340-Y352 WeakPolarHBondContact CG1-OH 3.03Å; Y343-Y352 AromaticContact CD1-CD2 3.66Å; Y343-Y352 HydrophobicContact CD1-CD2 3.66Å; Y343-Y352 HydrophobicContact CD1-CE2 4.43Å; Y343-Y352 AromaticContact CD1-CG 3.82Å; Y343-Y352 HydrophobicContact CD1-CG 3.82Å; Y343-Y352 AromaticContact CD2-CD2 3.41Å; Y343-Y352 HydrophobicContact CD2-CD2 3.41Å; Y343-Y352 VanDerWaalsContact CD2-CD2 3.41Å; Y343-Y352 HydrophobicContact CD2-CE2 4.36Å; Y343-Y352 HydrophobicContact CD2-CG 4.05Å; Y343-Y352 HydrophobicContact CE1-CD2 4.27Å; Y343-Y352 HydrophobicContact CE1-CG 4.06Å; Y343-Y352 VanDerWaalsContact CE2-CB 3.41Å; Y343-Y352 HydrophobicContact CE2-CD2 4.02Å; Y343-Y352 HydrophobicContact CE2-CG 4.23Å; Y343-Y352 AromaticContact CG-CD2 3.21Å; Y343-Y352 HydrophobicContact CG-CD2 3.21Å; Y343-Y352 AromaticContact CG-CE2 3.91Å; Y343-Y352 HydrophobicContact CG-CE2 3.91Å; Y343-Y352 AromaticContact CG-CG 3.85Å; Y343-Y352 HydrophobicContact CG-CG 3.85Å; Y343-Y352 PolarHBondContact OH-N 3.19Å; Y352-A354 PolarHBondContact O-N 3.32Å
353A48.8Very low55.2Low21 Ų2183.6 Ų83.617%0.17444%0.436CS..SBendtrans53.69171.500000116.7W33W33-A353 HydrophobicContact CB-CB 3.88Å
354A40.8Very low53Low43 Ų4386.1 Ų86.136%0.35545%0.453SS..PPolyproline II helixtrans-85.812017900000108.5Y352Y352-A354 PolarHBondContact O-N 3.32Å
355V37.8Very low50.5Low19 Ų1989.6 Ų89.612%0.11547%0.471CS..PPolyproline II helixtrans-60129.2171.3-1560000107.9K4 V6 Q357K4-V355 HydrophobicContact CB-CB 4.35Å; K4-V355 HydrophobicContact CB-CG1 3.67Å; K4-V355 HydrophobicContact CD-CG1 4.16Å; K4-V355 HydrophobicContact CG-CG1 3.98Å; K4-V355 WeakPolarHBondContact O-CG1 3.19Å; V6-V355 HydrophobicContact CG2-CB 4.37Å; V6-V355 HydrophobicContact CG2-CG1 3.95Å; V6-V355 HydrophobicContact CG2-CG2 3.44Å; V6-V355 VanDerWaalsContact CG2-CG2 3.44Å; V355-Q357 PolarHBondContact O-N 3.46Å
356P33.3Very low47.7Very low52 Ų5294.7 Ų94.734%0.33849%0.493SS..PPolyproline II helixtrans-50.1124.3-173.6-25.828.4000112K4K4-P356 WeakPolarHBondContact CB-O 3.34Å
357Q43.2Very low44.7Very low164 Ų164100.3 Ų100.377%0.76652%0.518SS*.PPolyproline II helixtrans-82.5138173.4-59.1-1757.900109V355V355-Q357 PolarHBondContact O-N 3.46Å
358N33Very low42.8Very low207 Ų207100.5 Ų100.5100%1.10751%0.507SS*.  trans-92.70171.7-85.8-6.1000111.2

Retrieved 358 of 358 residues in 73.5 ms (Link to these results)

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