A0A3B3TPW1_9TELE Loading...

TRAF3-interacting protein 1

AlphaFold DB , UniProt , Accession A0A3B3TPW1, Species 9TELE (Poecilia latipinna, sailfin molly), Gene n/a, Length 618 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
1M64.9Low86.9Confident83 Ų8365.9 Ų65.941%0.40936%0.358SS..  0125.30-169.5-103-16900107A3 A6 L27 P101 E102 N105M1-A3 PolarHBondContact O-N 3.22Å; M1-A6 HydrophobicContact CE-CB 3.78Å; M1-A6 HydrophobicContact SD-CB 4.01Å; M1-L27 WeakPolarHBondContact CE-O 3.35Å; M1-P101 HydrophobicContact CB-CG 4.28Å; M1-P101 HydrophobicContact CG-CB 4.4Å; M1-P101 HydrophobicContact CG-CG 4.06Å; M1-E102 VanDerWaalsContact C-OE1 3.32Å; M1-E102 WeakPolarHBondContact CA-OE1 3.49Å; M1-E102 HydrophobicContact CB-CG 4.44Å; M1-E102 HydrophobicContact CG-CG 3.8Å; M1-N105 HydrophobicContact CE-CB 4.48Å; M1-N105 VanDerWaalsContact CE-ND2 3.33Å; M1-N105 WeakPolarHBondContact CE-ND2 3.41Å
2N77.6Confident87.4Confident100 Ų10063.5 Ų63.554%0.53535%0.347SS..  trans-75.6118.3-175.9-74.4-74000110.4A4 V5 A6 E102N2-A4 PolarHBondContact O-N 3.03Å; N2-A4 VanDerWaalsContact O-N 3.1Å; N2-V5 HydrophobicContact CB-CG2 3.96Å; N2-V5 WeakPolarHBondContact O-CA 3.26Å; N2-V5 WeakPolarHBondContact O-CB 3.47Å; N2-V5 PolarHBondContact O-N 3.22Å; N2-A6 PolarHBondContact O-N 2.98Å; N2-E102 PolarHBondContact N-OE1 2.8Å; N2-E102 PolarHBondContact ND2-OE1 3.14Å
3A83.1Confident87.8Confident56 Ų5658.7 Ų58.746%0.46332%0.321SS..Hα-helixtrans-53.9-32.3178.700000113.1M1 V5 A6 K7 E24M1-A3 PolarHBondContact O-N 3.22Å; A3-V5 PolarHBondContact O-N 2.73Å; A3-A6 PolarHBondContact O-N 3.19Å; A3-K7 WeakPolarHBondContact O-CB 3.33Å; A3-K7 PolarHBondContact O-N 3.44Å; A3-E24 WeakPolarHBondContact CA-OE1 3.39Å; A3-E24 WeakPolarHBondContact CB-OE1 3.23Å
4A88.4Confident88.1Confident67 Ų6757.4 Ų57.455%0.55433%0.328SS*.Hα-helixtrans-61.7-28.2173.800000113.8N2 K8N2-A4 PolarHBondContact O-N 3.03Å; N2-A4 VanDerWaalsContact O-N 3.1Å; A4-K8 VanDerWaalsContact O-CG 3.29Å; A4-K8 WeakPolarHBondContact O-CG 3.4Å; A4-K8 PolarHBondContact O-N 3.02Å; A4-K8 VanDerWaalsContact O-N 3.14Å
5V89.4Confident88.3Confident27 Ų2763.7 Ų63.716%0.16435%0.35CS..Hα-helixtrans-77.9-44.1174.9179.90000110.3N2 A3 K7 K8 T9 N105 Q109N2-V5 HydrophobicContact CB-CG2 3.96Å; N2-V5 WeakPolarHBondContact O-CA 3.26Å; N2-V5 WeakPolarHBondContact O-CB 3.47Å; N2-V5 PolarHBondContact O-N 3.22Å; A3-V5 PolarHBondContact O-N 2.73Å; V5-K7 VanDerWaalsContact C-N 3.32Å; V5-K7 PolarHBondContact O-N 2.92Å; V5-K8 PolarHBondContact O-N 3.35Å; V5-T9 PolarHBondContact O-N 3Å; V5-T9 VanDerWaalsContact O-N 3.1Å; V5-T9 PolarHBondContact O-OG1 2.92Å; V5-T9 VanDerWaalsContact O-OG1 3.1Å; V5-N105 HydrophobicContact CG1-CB 3.66Å; V5-Q109 PolarHBondContact O-NE2 3.16Å; V5-Q109 VanDerWaalsContact O-NE2 3.1Å
6A89.6Confident88.4Confident1 Ų160.9 Ų60.91%0.00834%0.335CS..Hα-helixtrans-56.3-47.3173.200000111.4M1 N2 A3 K8 T9 Q10 E24 L27M1-A6 HydrophobicContact CE-CB 3.78Å; M1-A6 HydrophobicContact SD-CB 4.01Å; N2-A6 PolarHBondContact O-N 2.98Å; A3-A6 PolarHBondContact O-N 3.19Å; A6-K8 PolarHBondContact O-N 3.31Å; A6-T9 WeakPolarHBondContact O-CB 3.44Å; A6-T9 PolarHBondContact O-N 3.38Å; A6-T9 VanDerWaalsContact O-N 3.16Å; A6-Q10 WeakPolarHBondContact O-CG 3.27Å; A6-Q10 PolarHBondContact O-N 2.83Å; A6-E24 HydrophobicContact CB-CG 4.02Å; A6-L27 HydrophobicContact CB-CB 4.31Å; A6-L27 HydrophobicContact CB-CD1 4.42Å
7K91.7Very high88.6Confident120 Ų12057.6 Ų57.652%0.52232%0.317SS..Hα-helixtrans-63.3-41.1178.2-175.7170.1180176.20112.9A3 V5 T9 Q10 D11A3-K7 WeakPolarHBondContact O-CB 3.33Å; A3-K7 PolarHBondContact O-N 3.44Å; V5-K7 VanDerWaalsContact C-N 3.32Å; V5-K7 PolarHBondContact O-N 2.92Å; K7-T9 VanDerWaalsContact C-N 3.28Å; K7-T9 PolarHBondContact O-N 2.84Å; K7-Q10 WeakPolarHBondContact O-CB 3.48Å; K7-Q10 PolarHBondContact O-N 3.4Å; K7-Q10 VanDerWaalsContact O-N 3.14Å; K7-D11 WeakPolarHBondContact CE-OD2 3.5Å; K7-D11 WeakPolarHBondContact CG-OD2 3.36Å; K7-D11 WeakPolarHBondContact O-CB 3.46Å; K7-D11 PolarHBondContact O-N 3.3Å
8K92.7Very high88.7Confident124 Ų12465.6 Ų65.654%0.53935%0.348SS..Hα-helixtrans-57.2-41.6172.4-80.6174178.4-175.40112.1A4 V5 A6 D11 T12A4-K8 VanDerWaalsContact O-CG 3.29Å; A4-K8 WeakPolarHBondContact O-CG 3.4Å; A4-K8 PolarHBondContact O-N 3.02Å; A4-K8 VanDerWaalsContact O-N 3.14Å; V5-K8 PolarHBondContact O-N 3.35Å; A6-K8 PolarHBondContact O-N 3.31Å; K8-D11 PolarHBondContact O-N 3.06Å; K8-T12 WeakPolarHBondContact O-CG2 3.37Å; K8-T12 PolarHBondContact O-N 3.48Å; K8-T12 PolarHBondContact O-OG1 3.2Å
9T93.3Very high88.7Confident0 Ų070 Ų700%036%0.364CS..Hα-helixtrans-64.8-39.9175.7-46.30000111.8V5 A6 K7 T12 L13 L27 N105 L108 Q109V5-T9 PolarHBondContact O-N 3Å; V5-T9 VanDerWaalsContact O-N 3.1Å; V5-T9 PolarHBondContact O-OG1 2.92Å; V5-T9 VanDerWaalsContact O-OG1 3.1Å; A6-T9 WeakPolarHBondContact O-CB 3.44Å; A6-T9 PolarHBondContact O-N 3.38Å; A6-T9 VanDerWaalsContact O-N 3.16Å; K7-T9 VanDerWaalsContact C-N 3.28Å; K7-T9 PolarHBondContact O-N 2.84Å; T9-T12 PolarHBondContact O-OG1 2.74Å; T9-L13 HydrophobicContact CG2-CB 4.39Å; T9-L13 HydrophobicContact CG2-CD2 4.28Å; T9-L13 WeakPolarHBondContact O-CB 3.42Å; T9-L13 PolarHBondContact O-N 2.82Å; T9-L27 HydrophobicContact CG2-CD1 4.44Å; T9-L27 HydrophobicContact CG2-CD2 3.98Å; T9-N105 WeakPolarHBondContact CB-OD1 3.42Å; T9-N105 WeakPolarHBondContact OG1-CB 3.5Å; T9-N105 PolarHBondContact OG1-OD1 3.45Å; T9-L108 HydrophobicContact CG2-CB 3.71Å; T9-L108 HydrophobicContact CG2-CD1 3.99Å; T9-Q109 PolarHBondContact OG1-NE2 3.47Å
10Q92.9Very high88.8Confident63 Ų6367.4 Ų67.429%0.29435%0.352SS..Hα-helixtrans-60.9-49.7173.6-67.6167.1-2300111.5A6 K7 T12 G14 L22 L27A6-Q10 WeakPolarHBondContact O-CG 3.27Å; A6-Q10 PolarHBondContact O-N 2.83Å; K7-Q10 WeakPolarHBondContact O-CB 3.48Å; K7-Q10 PolarHBondContact O-N 3.4Å; K7-Q10 VanDerWaalsContact O-N 3.14Å; Q10-T12 VanDerWaalsContact C-N 3.3Å; Q10-T12 PolarHBondContact O-N 3.15Å; Q10-G14 WeakPolarHBondContact O-CA 3.47Å; Q10-G14 PolarHBondContact O-N 3Å; Q10-L22 HydrophobicContact CG-CB 4.2Å; Q10-L22 VanDerWaalsContact CG-O 3.29Å; Q10-L22 WeakPolarHBondContact CG-O 3.38Å; Q10-L22 PolarHBondContact NE2-O 3.28Å; Q10-L27 HydrophobicContact CG-CD1 3.76Å
11D92.7Very high88.9Confident84 Ų8468.4 Ų68.445%0.44936%0.362SS..Hα-helixtrans-70.2-19.4-175.9-69.4-25.4000113.8K7 K8 K15K7-D11 WeakPolarHBondContact CE-OD2 3.5Å; K7-D11 WeakPolarHBondContact CG-OD2 3.36Å; K7-D11 WeakPolarHBondContact O-CB 3.46Å; K7-D11 PolarHBondContact O-N 3.3Å; K8-D11 PolarHBondContact O-N 3.06Å; D11-K15 WeakPolarHBondContact O-CD 3.47Å; D11-K15 WeakPolarHBondContact O-CE 3.39Å; D11-K15 PolarHBondContact O-NZ 3.21Å
12T92.3Very high90.1Very high37 Ų3765.7 Ų65.723%0.22735%0.349CS..Hα-helixtrans-98.6-55.7174.358.30000112.5K8 T9 Q10 K15K8-T12 WeakPolarHBondContact O-CG2 3.37Å; K8-T12 PolarHBondContact O-N 3.48Å; K8-T12 PolarHBondContact O-OG1 3.2Å; T9-T12 PolarHBondContact O-OG1 2.74Å; Q10-T12 VanDerWaalsContact C-N 3.3Å; Q10-T12 PolarHBondContact O-N 3.15Å; T12-K15 WeakPolarHBondContact O-CB 3.29Å; T12-K15 PolarHBondContact O-N 3.33Å
13L92.5Very high90.7Very high1 Ų163.8 Ų63.81%0.00534%0.341CS..Hα-helixtrans-74.6-30.6-173.2-172.764.5000112.1T9 K15 V16 I17 L22 I38 V42 L108 A112T9-L13 HydrophobicContact CG2-CB 4.39Å; T9-L13 HydrophobicContact CG2-CD2 4.28Å; T9-L13 WeakPolarHBondContact O-CB 3.42Å; T9-L13 PolarHBondContact O-N 2.82Å; L13-K15 PolarHBondContact O-N 3.41Å; L13-K15 VanDerWaalsContact O-N 3.14Å; L13-V16 WeakPolarHBondContact O-CA 3.44Å; L13-V16 WeakPolarHBondContact O-CB 3.37Å; L13-V16 PolarHBondContact O-N 2.99Å; L13-I17 HydrophobicContact CD1-CD1 4.01Å; L13-I17 HydrophobicContact CD1-CG1 4.19Å; L13-I17 HydrophobicContact CD2-CD1 4.02Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 HydrophobicContact CG-CG1 3.92Å; L13-I17 PolarHBondContact O-N 3.2Å; L13-L22 HydrophobicContact CB-CD1 3.92Å; L13-L22 HydrophobicContact CD2-CD1 4.15Å; L13-L22 HydrophobicContact CD2-CD2 3.94Å; L13-L22 HydrophobicContact CG-CD1 4.04Å; L13-I38 HydrophobicContact CD2-CD1 4.34Å; L13-I38 HydrophobicContact CD2-CG2 3.82Å; L13-V42 HydrophobicContact CD1-CG2 4.01Å; L13-L108 HydrophobicContact CD2-CB 4.39Å; L13-L108 HydrophobicContact CD2-CD2 4.29Å; L13-A112 HydrophobicContact CB-CB 4.26Å; L13-A112 HydrophobicContact CD1-CB 4.2Å
14G91.6Very high91Very high41 Ų4165.9 Ų65.942%0.42334%0.341SS..THydrogen-bonded Turntrans-67-8.3174.800000114.8Q10Q10-G14 WeakPolarHBondContact O-CA 3.47Å; Q10-G14 PolarHBondContact O-N 3Å
15K91Very high91.1Very high151 Ų15171.4 Ų71.466%0.65735%0.353SS*.THydrogen-bonded Turntrans-86.5-15.8168.3-65.7169.9177.4144.40112.9D11 T12 L13 L116D11-K15 WeakPolarHBondContact O-CD 3.47Å; D11-K15 WeakPolarHBondContact O-CE 3.39Å; D11-K15 PolarHBondContact O-NZ 3.21Å; T12-K15 WeakPolarHBondContact O-CB 3.29Å; T12-K15 PolarHBondContact O-N 3.33Å; L13-K15 PolarHBondContact O-N 3.41Å; L13-K15 VanDerWaalsContact O-N 3.14Å; K15-L116 HydrophobicContact CB-CD2 4.21Å
16V90.8Very high91.2Very high19 Ų1972.7 Ų72.712%0.11536%0.359CS..THydrogen-bonded Turntrans-105.9-37.7-173.1-1740000111.3L13 V42 T45 T46 A112 C115 L116L13-V16 WeakPolarHBondContact O-CA 3.44Å; L13-V16 WeakPolarHBondContact O-CB 3.37Å; L13-V16 PolarHBondContact O-N 2.99Å; V16-V42 HydrophobicContact CG1-CG2 4.42Å; V16-T45 PolarHBondContact O-OG1 3.13Å; V16-T45 VanDerWaalsContact O-OG1 3.11Å; V16-T46 HydrophobicContact CG1-CG2 3.45Å; V16-T46 VanDerWaalsContact CG1-CG2 3.45Å; V16-A112 HydrophobicContact CG2-CB 4.35Å; V16-C115 HydrophobicContact CG1-CB 3.83Å; V16-C115 HydrophobicContact CG2-CB 4.16Å; V16-L116 HydrophobicContact CG2-CD2 4.12Å; V16-L116 HydrophobicContact CG2-CG 4.01Å
17I92.4Very high91.2Very high5 Ų572.6 Ų72.63%0.02636%0.358CS..  trans-132.8146.8179.762.9178.7000111.6L13 I38 E41 V42L13-I17 HydrophobicContact CD1-CD1 4.01Å; L13-I17 HydrophobicContact CD1-CG1 4.19Å; L13-I17 HydrophobicContact CD2-CD1 4.02Å; L13-I17 HydrophobicContact CG-CD1 3.81Å; L13-I17 HydrophobicContact CG-CG1 3.92Å; L13-I17 PolarHBondContact O-N 3.2Å; I17-I38 HydrophobicContact CD1-CB 4.25Å; I17-I38 HydrophobicContact CD1-CG1 4.04Å; I17-I38 HydrophobicContact CD1-CG2 3.87Å; I17-E41 HydrophobicContact CB-CG 3.79Å; I17-E41 HydrophobicContact CG2-CB 4.07Å; I17-E41 HydrophobicContact CG2-CG 3.59Å; I17-V42 HydrophobicContact CD1-CG2 4.38Å; I17-V42 HydrophobicContact CG2-CB 4.41Å; I17-V42 HydrophobicContact CG2-CG2 3.64Å
18K88.8Confident91.2Very high202 Ų20269.1 Ų69.188%0.87835%0.349SS*.  trans-103.1-11.2177.4-64.7-179.5-179.2176.30113.2
19K89.3Confident91Very high149 Ų14970.9 Ų70.965%0.64835%0.352SS*.  trans-142.1154179.4-63.7178.8-179.1177.70108.2E41K19-E41 WeakPolarHBondContact O-CG 3.45Å
20P90.2Very high91Very high18 Ų1871.3 Ų71.312%0.11736%0.355CS..SBendcis-64.1165.7-1631.3-36.8000111.8L22 Y34 D37 I38P20-L22 PolarHBondContact O-N 3.38Å; P20-Y34 HydrophobicContact CB-CD2 3.94Å; P20-Y34 HydrophobicContact CB-CE2 3.96Å; P20-Y34 HydrophobicContact CG-CD2 3.61Å; P20-Y34 HydrophobicContact CG-CE2 3.62Å; P20-D37 HydrophobicContact CB-CB 4.46Å; P20-D37 HydrophobicContact CG-CB 3.88Å; P20-I38 HydrophobicContact CG-CD1 4.37Å; P20-I38 HydrophobicContact CG-CG1 3.63Å
21P90.9Very high91Very high89 Ų8971.3 Ų71.358%0.57836%0.361SS*.  trans-66.9117.8-177.326.5-34.9000111.8T23P21-T23 HydrophobicContact CB-CG2 4.42Å; P21-T23 PolarHBondContact O-N 3.1Å
22L91Very high91Very high26 Ų2668.9 Ų68.914%0.13635%0.346CS..  trans-74.558.6-175.2-58.4-178.7000113.2Q10 L13 P20 L27 I38Q10-L22 HydrophobicContact CG-CB 4.2Å; Q10-L22 VanDerWaalsContact CG-O 3.29Å; Q10-L22 WeakPolarHBondContact CG-O 3.38Å; Q10-L22 PolarHBondContact NE2-O 3.28Å; L13-L22 HydrophobicContact CB-CD1 3.92Å; L13-L22 HydrophobicContact CD2-CD1 4.15Å; L13-L22 HydrophobicContact CD2-CD2 3.94Å; L13-L22 HydrophobicContact CG-CD1 4.04Å; P20-L22 PolarHBondContact O-N 3.38Å; L22-L27 HydrophobicContact CB-CD1 4.46Å; L22-I38 HydrophobicContact CD2-CD1 3.99Å; L22-I38 HydrophobicContact CD2-CG1 4.42Å
23T90.3Very high91.1Very high60 Ų6072.2 Ų72.237%0.36835%0.354SS..  trans-73.4147.4-179.869.60000112.1P21 K25 L26 L27P21-T23 HydrophobicContact CB-CG2 4.42Å; P21-T23 PolarHBondContact O-N 3.1Å; T23-K25 PolarHBondContact O-N 3.5Å; T23-L26 PolarHBondContact O-N 2.82Å; T23-L26 VanDerWaalsContact O-N 3.14Å; T23-L26 WeakPolarHBondContact OG1-CG 3.31Å; T23-L26 PolarHBondContact OG1-N 2.97Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 3.03Å
24E89.3Confident91.2Very high99 Ų9972.9 Ų72.946%0.46336%0.357SS..Hα-helixtrans-57.5-37.2175.7-178.3174.8-156.100111.7A3 A6 L26 L27 S28A3-E24 WeakPolarHBondContact CA-OE1 3.39Å; A3-E24 WeakPolarHBondContact CB-OE1 3.23Å; A6-E24 HydrophobicContact CB-CG 4.02Å; E24-L26 PolarHBondContact O-N 3.34Å; E24-L27 PolarHBondContact O-N 2.93Å; E24-S28 VanDerWaalsContact O-CB 3.26Å; E24-S28 WeakPolarHBondContact O-CB 3.28Å; E24-S28 PolarHBondContact O-N 3.04Å
25K90.6Very high91.3Very high183 Ų18371 Ų7180%0.79634%0.337SS*.Hα-helixtrans-56.1-50.5175.1-67.7-176179.3179.70111.4T23 S28T23-K25 PolarHBondContact O-N 3.5Å; K25-S28 PolarHBondContact O-N 2.95Å; K25-S28 PolarHBondContact O-OG 2.81Å
26L91.8Very high91.5Very high54 Ų5464 Ų6428%0.28331%0.307SS..Hα-helixtrans-68.4-40.3178.4-67.7170000111.9T23 E24 S28 R29 P30 Y34T23-L26 PolarHBondContact O-N 2.82Å; T23-L26 VanDerWaalsContact O-N 3.14Å; T23-L26 WeakPolarHBondContact OG1-CG 3.31Å; T23-L26 PolarHBondContact OG1-N 2.97Å; E24-L26 PolarHBondContact O-N 3.34Å; L26-S28 VanDerWaalsContact C-N 3.29Å; L26-S28 PolarHBondContact O-N 3.13Å; L26-R29 CarbonylContact O-C 3.55Å; L26-R29 PolarHBondContact O-N 2.89Å; L26-P30 WeakPolarHBondContact O-CA 3.29Å; L26-P30 WeakPolarHBondContact O-CB 3.17Å; L26-Y34 HydrophobicContact CB-CD1 4.33Å; L26-Y34 HydrophobicContact CB-CD2 4.33Å; L26-Y34 HydrophobicContact CB-CE1 3.84Å; L26-Y34 HydrophobicContact CB-CE2 3.84Å; L26-Y34 HydrophobicContact CD1-CD2 3.88Å; L26-Y34 HydrophobicContact CD1-CE2 3.57Å; L26-Y34 HydrophobicContact CG-CD2 4.49Å; L26-Y34 HydrophobicContact CG-CE2 4.25Å
27L90.3Very high91.6Very high0 Ų065.7 Ų65.70%032%0.315CS..Hα-helixtrans-68.3-25.2177.3-66.6173.7000113.6M1 A6 T9 Q10 L22 T23 E24 Y34 N105 L108M1-L27 WeakPolarHBondContact CE-O 3.35Å; A6-L27 HydrophobicContact CB-CB 4.31Å; A6-L27 HydrophobicContact CB-CD1 4.42Å; T9-L27 HydrophobicContact CG2-CD1 4.44Å; T9-L27 HydrophobicContact CG2-CD2 3.98Å; Q10-L27 HydrophobicContact CG-CD1 3.76Å; L22-L27 HydrophobicContact CB-CD1 4.46Å; T23-L27 WeakPolarHBondContact O-CG 3.41Å; T23-L27 PolarHBondContact O-N 3.03Å; E24-L27 PolarHBondContact O-N 2.93Å; L27-Y34 HydrophobicContact CD2-CE1 4.29Å; L27-N105 PolarHBondContact O-ND2 3.45Å; L27-L108 HydrophobicContact CD2-CD1 4.07Å
28S90.4Very high91.7Very high47 Ų4765.5 Ų65.533%0.32931%0.314SS..Hα-helixtrans-72.2-27.717976.10000114E24 K25 L26 P101E24-S28 VanDerWaalsContact O-CB 3.26Å; E24-S28 WeakPolarHBondContact O-CB 3.28Å; E24-S28 PolarHBondContact O-N 3.04Å; K25-S28 PolarHBondContact O-N 2.95Å; K25-S28 PolarHBondContact O-OG 2.81Å; L26-S28 VanDerWaalsContact C-N 3.29Å; L26-S28 PolarHBondContact O-N 3.13Å; S28-P101 WeakPolarHBondContact O-CB 3.44Å; S28-P101 VanDerWaalsContact O-CG 3.27Å; S28-P101 WeakPolarHBondContact O-CG 3.49Å
29R89.7Confident92Very high161 Ų16155.9 Ų55.961%0.60827%0.273SS*.SBendtrans-154.473.7174.8-165.6177.2-169.6-172.9-2.8110.2L26 P31 G98L26-R29 CarbonylContact O-C 3.55Å; L26-R29 PolarHBondContact O-N 2.89Å; R29-P31 VanDerWaalsContact O-CD 3.3Å; R29-P31 WeakPolarHBondContact O-CD 3.5Å; R29-G98 PolarHBondContact NE-O 2.87Å
30P91.6Very high92.1Very high8 Ų850 Ų505%0.05225%0.25CC..  trans-68.2121.7-168.825.9-34.4000111.9L26 Y34 L35 T104L26-P30 WeakPolarHBondContact O-CA 3.29Å; L26-P30 WeakPolarHBondContact O-CB 3.17Å; P30-Y34 HydrophobicContact CB-CD1 3.8Å; P30-Y34 HydrophobicContact CB-CE1 4.08Å; P30-L35 HydrophobicContact CB-CD1 4.38Å; P30-L35 HydrophobicContact CB-CD2 3.78Å; P30-L35 HydrophobicContact CB-CG 3.98Å; P30-L35 HydrophobicContact CG-CD1 4.4Å; P30-L35 HydrophobicContact CG-CD2 4.13Å; P30-L35 HydrophobicContact CG-CG 4.46Å; P30-T104 HydrophobicContact CG-CG2 3.84Å
31P93.4Very high92.2Very high64 Ų6450.5 Ų50.542%0.41625%0.251SS..  trans-64148.1171.1-20.733.1000111.1R29 R33 Y34 L35R29-P31 VanDerWaalsContact O-CD 3.3Å; R29-P31 WeakPolarHBondContact O-CD 3.5Å; P31-R33 PolarHBondContact O-N 3.39Å; P31-Y34 WeakPolarHBondContact O-CB 3.45Å; P31-Y34 PolarHBondContact O-N 3.39Å; P31-L35 PolarHBondContact O-N 2.98Å; P31-L35 VanDerWaalsContact O-N 3.15Å
32F93.9Very high92.3Very high32 Ų3246.3 Ų46.314%0.1422%0.223CC..Hα-helixtrans-52.3-42.4176.7176.9-91.4000112.4Y34 L35 H36 V63 K69 Y72 L73F32-Y34 VanDerWaalsContact C-N 3.27Å; F32-Y34 PolarHBondContact O-N 3.17Å; F32-L35 PolarHBondContact O-N 2.99Å; F32-H36 HydrophobicContact CE1-CB 4.28Å; F32-H36 WeakPolarHBondContact O-CB 3.33Å; F32-H36 PolarHBondContact O-N 3.01Å; F32-V63 HydrophobicContact CE1-CB 4.19Å; F32-V63 HydrophobicContact CE1-CG1 4.1Å; F32-V63 HydrophobicContact CZ-CB 4.31Å; F32-V63 HydrophobicContact CZ-CG1 3.8Å; F32-K69 HydrophobicContact CD1-CD 4.16Å; F32-K69 HydrophobicContact CD1-CG 3.93Å; F32-K69 HydrophobicContact CD2-CB 3.92Å; F32-K69 HydrophobicContact CD2-CD 4.34Å; F32-K69 HydrophobicContact CD2-CG 3.85Å; F32-K69 HydrophobicContact CE1-CG 3.82Å; F32-K69 HydrophobicContact CE2-CB 3.72Å; F32-K69 HydrophobicContact CE2-CG 3.72Å; F32-K69 HydrophobicContact CG-CB 4.49Å; F32-K69 HydrophobicContact CG-CD 4.08Å; F32-K69 HydrophobicContact CG-CG 3.96Å; F32-K69 HydrophobicContact CZ-CB 4.16Å; F32-K69 HydrophobicContact CZ-CG 3.73Å; F32-Y72 AromaticContact CE2-CD1 3.79Å; F32-Y72 HydrophobicContact CE2-CD1 3.79Å; F32-Y72 HydrophobicContact CE2-CE1 4.48Å; F32-Y72 HydrophobicContact CE2-CG 4.46Å; F32-Y72 AromaticContact CZ-CD1 3.66Å; F32-Y72 HydrophobicContact CZ-CD1 3.66Å; F32-Y72 HydrophobicContact CZ-CE1 4.23Å; F32-Y72 HydrophobicContact CZ-CG 4.09Å; F32-L73 HydrophobicContact CD2-CD1 4.34Å; F32-L73 HydrophobicContact CD2-CG 4.42Å; F32-L73 HydrophobicContact CE2-CD1 4.46Å; F32-L73 HydrophobicContact CE2-CD2 4.33Å; F32-L73 HydrophobicContact CE2-CG 4.08Å
33R93.3Very high92.4Very high108 Ų10845.8 Ų45.841%0.40822%0.221SC..Hα-helixtrans-56.2-39.4178-176.768.7-162.782.72.8112.7P31 H36 D37 S60P31-R33 PolarHBondContact O-N 3.39Å; R33-H36 WeakPolarHBondContact O-CB 3.35Å; R33-H36 PolarHBondContact O-N 2.82Å; R33-D37 IonicContact CZ-OD1 3.83Å; R33-D37 IonicContact CZ-OD2 2.66Å; R33-D37 IonicContact NH1-OD1 2.88Å; R33-D37 PolarHBondContact NH1-OD1 3.04Å; R33-D37 IonicContact NH1-OD2 2.66Å; R33-D37 PolarHBondContact NH1-OD2 3.37Å; R33-D37 IonicContact NH2-OD1 3.97Å; R33-D37 PolarHBondContact NH2-OD1 3.48Å; R33-D37 IonicContact NH2-OD2 3.14Å; R33-D37 PolarHBondContact O-N 3.02Å; R33-S60 VanDerWaalsContact CD-CB 3.45Å; R33-S60 VanDerWaalsContact CZ-OG 3.23Å; R33-S60 VanDerWaalsContact NE-CB 3.26Å; R33-S60 PolarHBondContact NE-OG 2.96Å
34Y94.4Very high92.4Very high14 Ų1451.1 Ų51.16%0.05523%0.234CC..Hα-helixtrans-76.1-33.7-179.7166.6-98.7000112.5P20 L26 L27 P30 P31 F32 I38P20-Y34 HydrophobicContact CB-CD2 3.94Å; P20-Y34 HydrophobicContact CB-CE2 3.96Å; P20-Y34 HydrophobicContact CG-CD2 3.61Å; P20-Y34 HydrophobicContact CG-CE2 3.62Å; L26-Y34 HydrophobicContact CB-CD1 4.33Å; L26-Y34 HydrophobicContact CB-CD2 4.33Å; L26-Y34 HydrophobicContact CB-CE1 3.84Å; L26-Y34 HydrophobicContact CB-CE2 3.84Å; L26-Y34 HydrophobicContact CD1-CD2 3.88Å; L26-Y34 HydrophobicContact CD1-CE2 3.57Å; L26-Y34 HydrophobicContact CG-CD2 4.49Å; L26-Y34 HydrophobicContact CG-CE2 4.25Å; L27-Y34 HydrophobicContact CD2-CE1 4.29Å; P30-Y34 HydrophobicContact CB-CD1 3.8Å; P30-Y34 HydrophobicContact CB-CE1 4.08Å; P31-Y34 WeakPolarHBondContact O-CB 3.45Å; P31-Y34 PolarHBondContact O-N 3.39Å; F32-Y34 VanDerWaalsContact C-N 3.27Å; F32-Y34 PolarHBondContact O-N 3.17Å; Y34-I38 HydrophobicContact CD1-CD1 4.03Å; Y34-I38 HydrophobicContact CE1-CD1 3.57Å; Y34-I38 HydrophobicContact CE2-CD1 4.14Å; Y34-I38 HydrophobicContact CG-CD1 4.49Å; Y34-I38 VanDerWaalsContact O-CG1 3.31Å; Y34-I38 WeakPolarHBondContact O-CG1 3.26Å; Y34-I38 PolarHBondContact O-N 3.43Å; Y34-I38 VanDerWaalsContact O-N 3.09Å
35L94.2Very high92.5Very high3 Ų349.3 Ų49.32%0.01623%0.23CC..Hα-helixtrans-66.9-39.8170.2-64.4175.5000111.5P30 P31 F32 I38 F39 I95 T104 L108P30-L35 HydrophobicContact CB-CD1 4.38Å; P30-L35 HydrophobicContact CB-CD2 3.78Å; P30-L35 HydrophobicContact CB-CG 3.98Å; P30-L35 HydrophobicContact CG-CD1 4.4Å; P30-L35 HydrophobicContact CG-CD2 4.13Å; P30-L35 HydrophobicContact CG-CG 4.46Å; P31-L35 PolarHBondContact O-N 2.98Å; P31-L35 VanDerWaalsContact O-N 3.15Å; F32-L35 PolarHBondContact O-N 2.99Å; L35-I38 PolarHBondContact O-N 2.86Å; L35-F39 WeakPolarHBondContact O-CD1 3.24Å; L35-F39 WeakPolarHBondContact O-CG 3.45Å; L35-F39 PolarHBondContact O-N 3.1Å; L35-I95 HydrophobicContact CD1-CG2 3.42Å; L35-I95 VanDerWaalsContact CD1-CG2 3.42Å; L35-T104 HydrophobicContact CD1-CG2 3.94Å; L35-T104 HydrophobicContact CD2-CG2 3.94Å; L35-L108 HydrophobicContact CD2-CD1 4.2Å; L35-L108 HydrophobicContact CD2-CD2 4.42Å
36H94.8Very high92.4Very high3 Ų343.4 Ų43.41%0.01421%0.209CC..Hα-helixtrans-61.5-47.8174.3-175.6-77.1000111.4F32 R33 I38 F39 S40 E57 M58 S60 Y72F32-H36 HydrophobicContact CE1-CB 4.28Å; F32-H36 WeakPolarHBondContact O-CB 3.33Å; F32-H36 PolarHBondContact O-N 3.01Å; R33-H36 WeakPolarHBondContact O-CB 3.35Å; R33-H36 PolarHBondContact O-N 2.82Å; H36-I38 VanDerWaalsContact C-N 3.31Å; H36-I38 PolarHBondContact O-N 3.01Å; H36-F39 PolarHBondContact O-N 3.5Å; H36-S40 WeakPolarHBondContact O-CB 3.44Å; H36-S40 PolarHBondContact O-N 2.84Å; H36-S40 PolarHBondContact O-OG 3.22Å; H36-E57 PolarHBondContact NE2-O 3.3Å; H36-M58 PolarHBondContact CE1-O 3.27Å; H36-S60 PolarHBondContact CE1-N 3.09Å; H36-S60 VanDerWaalsContact CE1-N 3.3Å; H36-Y72 HydrophobicContact CB-CE1 4.45Å; H36-Y72 AromaticContact CD2-CE1 3.77Å; H36-Y72 AromaticContact CD2-CE2 3.62Å; H36-Y72 AromaticContact CD2-CZ 3.29Å; H36-Y72 PolarHBondContact CD2-OH 2.99Å; H36-Y72 VanDerWaalsContact CD2-OH 3.29Å; H36-Y72 AromaticContact NE2-CE2 3.83Å; H36-Y72 AromaticContact NE2-CZ 3.85Å
37D93.9Very high92.2Very high55 Ų5542.3 Ų42.329%0.29421%0.21SC..Hα-helixtrans-55.9-42.6172.5-75.4-43.7000112.7P20 R33 E41P20-D37 HydrophobicContact CB-CB 4.46Å; P20-D37 HydrophobicContact CG-CB 3.88Å; R33-D37 IonicContact CZ-OD1 3.83Å; R33-D37 IonicContact CZ-OD2 2.66Å; R33-D37 IonicContact NH1-OD1 2.88Å; R33-D37 PolarHBondContact NH1-OD1 3.04Å; R33-D37 IonicContact NH1-OD2 2.66Å; R33-D37 PolarHBondContact NH1-OD2 3.37Å; R33-D37 IonicContact NH2-OD1 3.97Å; R33-D37 PolarHBondContact NH2-OD1 3.48Å; R33-D37 IonicContact NH2-OD2 3.14Å; R33-D37 PolarHBondContact O-N 3.02Å; D37-E41 WeakPolarHBondContact O-CB 3.46Å; D37-E41 PolarHBondContact O-N 3.29Å
38I94.5Very high92.2Very high0 Ų042.7 Ų42.70%021%0.212CC..Hα-helixtrans-63.5-46.8177.4-74.1169.4000111.2L13 I17 P20 L22 Y34 L35 H36 E41 V42 L108L13-I38 HydrophobicContact CD2-CD1 4.34Å; L13-I38 HydrophobicContact CD2-CG2 3.82Å; I17-I38 HydrophobicContact CD1-CB 4.25Å; I17-I38 HydrophobicContact CD1-CG1 4.04Å; I17-I38 HydrophobicContact CD1-CG2 3.87Å; P20-I38 HydrophobicContact CG-CD1 4.37Å; P20-I38 HydrophobicContact CG-CG1 3.63Å; L22-I38 HydrophobicContact CD2-CD1 3.99Å; L22-I38 HydrophobicContact CD2-CG1 4.42Å; Y34-I38 HydrophobicContact CD1-CD1 4.03Å; Y34-I38 HydrophobicContact CE1-CD1 3.57Å; Y34-I38 HydrophobicContact CE2-CD1 4.14Å; Y34-I38 HydrophobicContact CG-CD1 4.49Å; Y34-I38 VanDerWaalsContact O-CG1 3.31Å; Y34-I38 WeakPolarHBondContact O-CG1 3.26Å; Y34-I38 PolarHBondContact O-N 3.43Å; Y34-I38 VanDerWaalsContact O-N 3.09Å; L35-I38 PolarHBondContact O-N 2.86Å; H36-I38 VanDerWaalsContact C-N 3.31Å; H36-I38 PolarHBondContact O-N 3.01Å; I38-E41 PolarHBondContact O-N 2.88Å; I38-V42 WeakPolarHBondContact O-CB 3.3Å; I38-V42 VanDerWaalsContact O-CG2 3.31Å; I38-V42 WeakPolarHBondContact O-CG2 3.23Å; I38-V42 PolarHBondContact O-N 2.88Å; I38-L108 HydrophobicContact CD1-CD1 4.4Å; I38-L108 HydrophobicContact CG2-CD2 3.76Å
39F93.7Very high92.1Very high1 Ų140.5 Ų40.50%0.00420%0.197CC..Hα-helixtrans-66.9-45.2-178.1-69.2-0.5000111.2L35 H36 E41 V42 I43 Y72 L73 A76 L107 L108 I111L35-F39 WeakPolarHBondContact O-CD1 3.24Å; L35-F39 WeakPolarHBondContact O-CG 3.45Å; L35-F39 PolarHBondContact O-N 3.1Å; H36-F39 PolarHBondContact O-N 3.5Å; F39-E41 PolarHBondContact O-N 3.42Å; F39-V42 PolarHBondContact O-N 2.6Å; F39-I43 WeakPolarHBondContact O-CD1 3.45Å; F39-I43 VanDerWaalsContact O-CG1 3.27Å; F39-I43 WeakPolarHBondContact O-CG1 3.43Å; F39-I43 PolarHBondContact O-N 3.41Å; F39-Y72 AromaticContact CD2-CE1 3.71Å; F39-Y72 HydrophobicContact CD2-CE1 3.71Å; F39-Y72 HydrophobicContact CE2-CE1 4.31Å; F39-L73 HydrophobicContact CE2-CD2 3.73Å; F39-L73 HydrophobicContact CZ-CD2 4.24Å; F39-A76 HydrophobicContact CD2-CB 4.13Å; F39-A76 HydrophobicContact CE2-CB 3.64Å; F39-A76 HydrophobicContact CZ-CB 4.2Å; F39-L107 HydrophobicContact CZ-CD2 4.22Å; F39-L108 HydrophobicContact CE1-CD2 3.88Å; F39-I111 HydrophobicContact CD1-CD1 4.06Å; F39-I111 HydrophobicContact CE1-CD1 3.46Å; F39-I111 VanDerWaalsContact CE1-CD1 3.46Å; F39-I111 HydrophobicContact CZ-CD1 4.02Å
40S92Very high92.1Very high24 Ų2440.1 Ų40.117%0.16820%0.2CC..Hα-helixtrans-61-42175.3-70.10000112.3H36 R44 M58H36-S40 WeakPolarHBondContact O-CB 3.44Å; H36-S40 PolarHBondContact O-N 2.84Å; H36-S40 PolarHBondContact O-OG 3.22Å; S40-R44 VanDerWaalsContact O-CB 3.28Å; S40-R44 WeakPolarHBondContact O-CB 3.16Å; S40-R44 PolarHBondContact O-N 3.22Å; S40-M58 PolarHBondContact OG-SD 3.39Å; S40-M58 VanDerWaalsContact OG-SD 3.41Å
41E92.8Very high92Very high30 Ų3042.3 Ų42.314%0.1422%0.224CC..Hα-helixtrans-67.1-41.2175.9-173.577158.800111.8I17 K19 D37 I38 F39 I43 R44 T45I17-E41 HydrophobicContact CB-CG 3.79Å; I17-E41 HydrophobicContact CG2-CB 4.07Å; I17-E41 HydrophobicContact CG2-CG 3.59Å; K19-E41 WeakPolarHBondContact O-CG 3.45Å; D37-E41 WeakPolarHBondContact O-CB 3.46Å; D37-E41 PolarHBondContact O-N 3.29Å; I38-E41 PolarHBondContact O-N 2.88Å; F39-E41 PolarHBondContact O-N 3.42Å; E41-I43 PolarHBondContact O-N 3.43Å; E41-R44 CarbonylContact O-C 3.56Å; E41-R44 PolarHBondContact O-N 2.83Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NH2 2.87Å; E41-R44 PolarHBondContact OE1-NH2 3.46Å; E41-R44 IonicContact OE2-CZ 3.19Å; E41-R44 IonicContact OE2-NE 2.86Å; E41-R44 PolarHBondContact OE2-NE 3.42Å; E41-R44 IonicContact OE2-NH2 2.81Å; E41-R44 PolarHBondContact OE2-NH2 3.23Å; E41-T45 HydrophobicContact CG-CG2 4.06Å; E41-T45 WeakPolarHBondContact O-CG2 3.15Å; E41-T45 PolarHBondContact O-N 2.95Å; E41-T45 PolarHBondContact O-OG1 2.84Å
42V92.6Very high91.9Very high0 Ų039.4 Ų39.40%020%0.204CC..Hα-helixtrans-59.6-47175.6166.10000111.4L13 V16 I17 I38 F39 R44 T45 T46 F48 I111L13-V42 HydrophobicContact CD1-CG2 4.01Å; V16-V42 HydrophobicContact CG1-CG2 4.42Å; I17-V42 HydrophobicContact CD1-CG2 4.38Å; I17-V42 HydrophobicContact CG2-CB 4.41Å; I17-V42 HydrophobicContact CG2-CG2 3.64Å; I38-V42 WeakPolarHBondContact O-CB 3.3Å; I38-V42 VanDerWaalsContact O-CG2 3.31Å; I38-V42 WeakPolarHBondContact O-CG2 3.23Å; I38-V42 PolarHBondContact O-N 2.88Å; F39-V42 PolarHBondContact O-N 2.6Å; V42-R44 VanDerWaalsContact C-N 3.26Å; V42-R44 PolarHBondContact O-N 3.48Å; V42-T45 PolarHBondContact O-N 3.38Å; V42-T46 PolarHBondContact O-N 3.49Å; V42-T46 PolarHBondContact O-OG1 2.92Å; V42-F48 HydrophobicContact CG1-CB 4.47Å; V42-F48 HydrophobicContact CG1-CD1 4.35Å; V42-I111 HydrophobicContact CG1-CG2 3.88Å; V42-I111 HydrophobicContact CG2-CG2 4.31Å
43I92.1Very high91.9Very high16 Ų1638.6 Ų38.68%0.08220%0.201CC..Hα-helixtrans-59.5-41.5176.7-66.2159.7000110F39 E41 G47 F48 M49 K50 Y53 M58F39-I43 WeakPolarHBondContact O-CD1 3.45Å; F39-I43 VanDerWaalsContact O-CG1 3.27Å; F39-I43 WeakPolarHBondContact O-CG1 3.43Å; F39-I43 PolarHBondContact O-N 3.41Å; E41-I43 PolarHBondContact O-N 3.43Å; I43-G47 VanDerWaalsContact O-CA 3.29Å; I43-G47 WeakPolarHBondContact O-CA 3.25Å; I43-G47 PolarHBondContact O-N 3.02Å; I43-F48 WeakPolarHBondContact CA-O 3.43Å; I43-F48 VanDerWaalsContact CG1-O 3.25Å; I43-F48 WeakPolarHBondContact CG1-O 3.35Å; I43-M49 HydrophobicContact CD1-CB 4.49Å; I43-M49 HydrophobicContact CG1-CB 4.12Å; I43-M49 HydrophobicContact CG1-CE 4.47Å; I43-K50 HydrophobicContact CG2-CB 4.46Å; I43-Y53 HydrophobicContact CD1-CD2 3.7Å; I43-Y53 HydrophobicContact CD1-CE2 3.98Å; I43-M58 HydrophobicContact CD1-CE 4.24Å; I43-M58 HydrophobicContact CG2-CE 4.25Å
44R90.9Very high91.7Very high172 Ų17239.1 Ų39.165%0.64921%0.208SC*.Hα-helixtrans-71.6-35.2-179.2-164.3-172.369.7751.7113.9S40 E41 V42S40-R44 VanDerWaalsContact O-CB 3.28Å; S40-R44 WeakPolarHBondContact O-CB 3.16Å; S40-R44 PolarHBondContact O-N 3.22Å; E41-R44 CarbonylContact O-C 3.56Å; E41-R44 PolarHBondContact O-N 2.83Å; E41-R44 VanDerWaalsContact O-N 3.17Å; E41-R44 IonicContact OE1-CZ 3.93Å; E41-R44 IonicContact OE1-NH2 2.87Å; E41-R44 PolarHBondContact OE1-NH2 3.46Å; E41-R44 IonicContact OE2-CZ 3.19Å; E41-R44 IonicContact OE2-NE 2.86Å; E41-R44 PolarHBondContact OE2-NE 3.42Å; E41-R44 IonicContact OE2-NH2 2.81Å; E41-R44 PolarHBondContact OE2-NH2 3.23Å; V42-R44 VanDerWaalsContact C-N 3.26Å; V42-R44 PolarHBondContact O-N 3.48Å
45T90.9Very high91.3Very high61 Ų6145.8 Ų45.837%0.37424%0.239SC..Hα-helixtrans-90.2-24.5-177.661.70000114.1V16 E41 V42V16-T45 PolarHBondContact O-OG1 3.13Å; V16-T45 VanDerWaalsContact O-OG1 3.11Å; E41-T45 HydrophobicContact CG-CG2 4.06Å; E41-T45 WeakPolarHBondContact O-CG2 3.15Å; E41-T45 PolarHBondContact O-N 2.95Å; E41-T45 PolarHBondContact O-OG1 2.84Å; V42-T45 PolarHBondContact O-N 3.38Å
46T89.1Confident90.9Very high59 Ų5950 Ų5036%0.36226%0.262SS..Hα-helixtrans-121.4-17.6-174.267.30000115V16 V42 F48 C115V16-T46 HydrophobicContact CG1-CG2 3.45Å; V16-T46 VanDerWaalsContact CG1-CG2 3.45Å; V42-T46 PolarHBondContact O-N 3.49Å; V42-T46 PolarHBondContact O-OG1 2.92Å; T46-F48 PolarHBondContact O-N 3.14Å; T46-F48 VanDerWaalsContact OG1-CB 3.22Å; T46-F48 WeakPolarHBondContact OG1-CB 3.5Å; T46-F48 PolarHBondContact OG1-N 3.02Å; T46-F48 VanDerWaalsContact OG1-N 3.09Å; T46-C115 HydrophobicContact CG2-CB 4.12Å
47G88Confident90.6Very high30 Ų3051.3 Ų51.331%0.30927%0.268SS..  trans72.8-5.1-167.800000114.6I43 M49 K50I43-G47 VanDerWaalsContact O-CA 3.29Å; I43-G47 WeakPolarHBondContact O-CA 3.25Å; I43-G47 PolarHBondContact O-N 3.02Å; G47-M49 PolarHBondContact O-N 3.45Å; G47-K50 WeakPolarHBondContact O-CB 3.31Å; G47-K50 PolarHBondContact O-N 2.74Å
48F90Very high90.3Very high8 Ų852.1 Ų52.14%0.03527%0.271CS..THydrogen-bonded Turntrans-63.4128.7177.5-175.6-112.9000110.4V42 I43 T46 K50 V80 V83 I111 C114V42-F48 HydrophobicContact CG1-CB 4.47Å; V42-F48 HydrophobicContact CG1-CD1 4.35Å; I43-F48 WeakPolarHBondContact CA-O 3.43Å; I43-F48 VanDerWaalsContact CG1-O 3.25Å; I43-F48 WeakPolarHBondContact CG1-O 3.35Å; T46-F48 PolarHBondContact O-N 3.14Å; T46-F48 VanDerWaalsContact OG1-CB 3.22Å; T46-F48 WeakPolarHBondContact OG1-CB 3.5Å; T46-F48 PolarHBondContact OG1-N 3.02Å; T46-F48 VanDerWaalsContact OG1-N 3.09Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 PolarHBondContact O-N 3.11Å; F48-V80 HydrophobicContact CE1-CG2 4.23Å; F48-V80 HydrophobicContact CZ-CG2 4.42Å; F48-V83 HydrophobicContact CE2-CB 4.41Å; F48-V83 HydrophobicContact CE2-CG1 4.05Å; F48-V83 HydrophobicContact CE2-CG2 4.29Å; F48-V83 HydrophobicContact CZ-CG1 4.49Å; F48-I111 HydrophobicContact CD1-CG2 4.28Å; F48-I111 HydrophobicContact CE1-CG2 4.29Å; F48-C114 HydrophobicContact CD2-CB 4.45Å; F48-C114 HydrophobicContact CE1-CB 4.04Å; F48-C114 HydrophobicContact CE2-CB 3.77Å; F48-C114 HydrophobicContact CZ-CB 3.54Å
49M88Confident89.9Confident1 Ų158.1 Ų58.11%0.00530%0.297CS..THydrogen-bonded Turntrans6619.9-172.3-48.3-179.5-6500115.1I43 G47 G51 L52 A76 V79 V80 S121I43-M49 HydrophobicContact CD1-CB 4.49Å; I43-M49 HydrophobicContact CG1-CB 4.12Å; I43-M49 HydrophobicContact CG1-CE 4.47Å; G47-M49 PolarHBondContact O-N 3.45Å; M49-G51 PolarHBondContact O-N 2.89Å; M49-L52 HydrophobicContact CB-CB 4.18Å; M49-L52 HydrophobicContact CB-CD2 3.9Å; M49-L52 HydrophobicContact CG-CD2 4.19Å; M49-L52 VanDerWaalsContact O-CB 3.22Å; M49-L52 WeakPolarHBondContact O-CB 3.43Å; M49-L52 PolarHBondContact O-N 3.47Å; M49-L52 VanDerWaalsContact O-N 3.15Å; M49-L52 HydrophobicContact SD-CD2 4Å; M49-A76 HydrophobicContact SD-CB 4.29Å; M49-V79 HydrophobicContact CG-CG1 3.95Å; M49-V79 HydrophobicContact SD-CG1 4.5Å; M49-V80 HydrophobicContact SD-CG2 4.28Å; M49-S121 PolarHBondContact N-OG 2.92Å
50K90.1Very high89.5Confident154 Ų15459 Ų5967%0.6730%0.304SS*.THydrogen-bonded Turntrans-56.7132.8170.5-176.2178.1-179.6-177.40110.4I43 G47 F48 L52I43-K50 HydrophobicContact CG2-CB 4.46Å; G47-K50 WeakPolarHBondContact O-CB 3.31Å; G47-K50 PolarHBondContact O-N 2.74Å; F48-K50 VanDerWaalsContact C-N 3.29Å; F48-K50 PolarHBondContact O-N 3.11Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-L52 PolarHBondContact O-N 3.15Å
51G89.5Confident89.1Confident54 Ų5463.5 Ų63.556%0.55733%0.326SS*.THydrogen-bonded Turntrans810.4-178.100000115.8M49 Y53M49-G51 PolarHBondContact O-N 2.89Å; G51-Y53 VanDerWaalsContact C-N 3.33Å
52L91.6Very high88.9Confident2 Ų265.1 Ų65.11%0.0134%0.34CS..SBendtrans-71.6-28.2175.2-176.957.8000113.6M49 K50 K75 V79 V125 V128M49-L52 HydrophobicContact CB-CB 4.18Å; M49-L52 HydrophobicContact CB-CD2 3.9Å; M49-L52 HydrophobicContact CG-CD2 4.19Å; M49-L52 VanDerWaalsContact O-CB 3.22Å; M49-L52 WeakPolarHBondContact O-CB 3.43Å; M49-L52 PolarHBondContact O-N 3.47Å; M49-L52 VanDerWaalsContact O-N 3.15Å; M49-L52 HydrophobicContact SD-CD2 4Å; K50-L52 VanDerWaalsContact C-N 3.33Å; K50-L52 PolarHBondContact O-N 3.15Å; L52-K75 HydrophobicContact CD1-CB 3.99Å; L52-K75 HydrophobicContact CD1-CG 4.38Å; L52-K75 HydrophobicContact CD2-CB 4.24Å; L52-K75 HydrophobicContact CG-CB 4.08Å; L52-V79 HydrophobicContact CD1-CG2 3.66Å; L52-V79 HydrophobicContact CD2-CB 4.28Å; L52-V79 HydrophobicContact CD2-CG2 3.86Å; L52-V79 HydrophobicContact CG-CG2 4.39Å; L52-V125 HydrophobicContact CB-CG1 4.19Å; L52-V125 HydrophobicContact CB-CG2 4.15Å; L52-V125 HydrophobicContact CD1-CG1 4.33Å; L52-V125 HydrophobicContact CD1-CG2 4.46Å; L52-V128 HydrophobicContact CD1-CG1 4.34Å
53Y93.1Very high88.7Confident15 Ų1565.6 Ų65.66%0.05934%0.343CS..SBendtrans-119.3137.7-176.1-64-55.5000110.9I43 G51 E57 Y72 K75 A76I43-Y53 HydrophobicContact CD1-CD2 3.7Å; I43-Y53 HydrophobicContact CD1-CE2 3.98Å; G51-Y53 VanDerWaalsContact C-N 3.33Å; Y53-E57 WeakPolarHBondContact CA-OE2 3.32Å; Y53-E57 HydrophobicContact CD1-CB 4.16Å; Y53-E57 HydrophobicContact CG-CB 4.38Å; Y53-Y72 AromaticContact CD1-CD2 3.61Å; Y53-Y72 HydrophobicContact CD1-CD2 3.61Å; Y53-Y72 AromaticContact CD1-CE2 3.58Å; Y53-Y72 HydrophobicContact CD1-CE2 3.58Å; Y53-Y72 AromaticContact CD2-CE2 3.87Å; Y53-Y72 HydrophobicContact CD2-CE2 3.87Å; Y53-Y72 HydrophobicContact CE1-CD1 4.46Å; Y53-Y72 AromaticContact CE1-CD2 3.27Å; Y53-Y72 HydrophobicContact CE1-CD2 3.27Å; Y53-Y72 AromaticContact CE1-CE2 3.37Å; Y53-Y72 HydrophobicContact CE1-CE2 3.37Å; Y53-Y72 AromaticContact CE1-CG 3.86Å; Y53-Y72 HydrophobicContact CE1-CG 3.86Å; Y53-Y72 WeakPolarHBondContact CE1-O 3.17Å; Y53-Y72 HydrophobicContact CE2-CD2 4.43Å; Y53-Y72 HydrophobicContact CE2-CE1 4.5Å; Y53-Y72 AromaticContact CE2-CE2 3.68Å; Y53-Y72 HydrophobicContact CE2-CE2 3.68Å; Y53-Y72 AromaticContact CE2-CZ 3.7Å; Y53-Y72 HydrophobicContact CG-CD2 4.31Å; Y53-Y72 AromaticContact CG-CE2 3.82Å; Y53-Y72 HydrophobicContact CG-CE2 3.82Å; Y53-Y72 AromaticContact CZ-CD2 3.73Å; Y53-Y72 AromaticContact CZ-CE2 3.41Å; Y53-Y72 VanDerWaalsContact CZ-CE2 3.41Å; Y53-Y72 AromaticContact CZ-CZ 3.55Å; Y53-Y72 PolarHBondContact OH-O 3.26Å; Y53-K75 HydrophobicContact CD1-CD 3.95Å; Y53-K75 HydrophobicContact CE1-CB 3.93Å; Y53-K75 HydrophobicContact CE1-CD 3.86Å; Y53-A76 WeakPolarHBondContact OH-CB 3.44Å
54E89.7Confident88.6Confident119 Ų11971.9 Ų71.956%0.55637%0.37SS*.  trans-68.1162.3171.4-66.1173.8-156.400111.4N56 E57 M58E54-N56 PolarHBondContact O-N 3.21Å; E54-N56 VanDerWaalsContact O-N 3.1Å; E54-E57 HydrophobicContact CB-CG 4.46Å; E54-E57 PolarHBondContact N-OE2 3.07Å; E54-E57 PolarHBondContact O-N 3.39Å; E54-M58 WeakPolarHBondContact O-CB 3.5Å; E54-M58 PolarHBondContact O-N 2.93Å
55E86.3Confident88.6Confident155 Ų15568.6 Ų68.672%0.72437%0.365SS*.THydrogen-bonded Turntrans-58.1-26.2176.2-62.7-171.9-173.300113.6
56N86Confident88.6Confident92 Ų9272.3 Ų72.349%0.49238%0.376SS..THydrogen-bonded Turntrans-70.7-49.5173-63.8-43.5000111E54 M58 K59 S62E54-N56 PolarHBondContact O-N 3.21Å; E54-N56 VanDerWaalsContact O-N 3.1Å; N56-M58 VanDerWaalsContact C-N 3.29Å; N56-M58 PolarHBondContact O-N 2.97Å; N56-K59 PolarHBondContact O-N 3.47Å; N56-K59 VanDerWaalsContact O-N 3.1Å; N56-S62 WeakPolarHBondContact O-CB 3.41Å
57E88.3Confident88.7Confident30 Ų3074.5 Ų74.514%0.1439%0.385CS..THydrogen-bonded Turntrans-67.8-28.2178.2-67.4179.3121.100112.9H36 Y53 E54 K59 Y72 K75H36-E57 PolarHBondContact NE2-O 3.3Å; Y53-E57 WeakPolarHBondContact CA-OE2 3.32Å; Y53-E57 HydrophobicContact CD1-CB 4.16Å; Y53-E57 HydrophobicContact CG-CB 4.38Å; E54-E57 HydrophobicContact CB-CG 4.46Å; E54-E57 PolarHBondContact N-OE2 3.07Å; E54-E57 PolarHBondContact O-N 3.39Å; E57-K59 PolarHBondContact O-N 3.05Å; E57-Y72 HydrophobicContact CB-CD2 4.25Å; E57-Y72 HydrophobicContact CB-CE2 4.47Å; E57-K75 IonicContact OE1-NZ 3.84Å; E57-K75 PolarHBondContact OE1-NZ 3.35Å; E57-K75 IonicContact OE2-NZ 2.82Å; E57-K75 PolarHBondContact OE2-NZ 2.99Å
58M86.9Confident88.9Confident72 Ų7275.6 Ų75.636%0.35539%0.388SS..THydrogen-bonded Turntrans-66.5-13.6173.1-165.562.775.200112.5H36 S40 I43 E54 N56H36-M58 PolarHBondContact CE1-O 3.27Å; S40-M58 PolarHBondContact OG-SD 3.39Å; S40-M58 VanDerWaalsContact OG-SD 3.41Å; I43-M58 HydrophobicContact CD1-CE 4.24Å; I43-M58 HydrophobicContact CG2-CE 4.25Å; E54-M58 WeakPolarHBondContact O-CB 3.5Å; E54-M58 PolarHBondContact O-N 2.93Å; N56-M58 VanDerWaalsContact C-N 3.29Å; N56-M58 PolarHBondContact O-N 2.97Å
59K86.8Confident89.1Confident126 Ų12677.8 Ų77.855%0.54840%0.398SS..SBendtrans-105115.2175.3-66.7165.1-172.2160.90109.7N56 E57 D61 S62N56-K59 PolarHBondContact O-N 3.47Å; N56-K59 VanDerWaalsContact O-N 3.1Å; E57-K59 PolarHBondContact O-N 3.05Å; K59-D61 PolarHBondContact O-N 3.17Å; K59-S62 WeakPolarHBondContact O-CB 3.49Å; K59-S62 PolarHBondContact O-N 3.28Å; K59-S62 VanDerWaalsContact O-N 3.07Å
60S84.4Confident89.3Confident20 Ų2079.6 Ų79.614%0.1441%0.407CS..THydrogen-bonded Turntrans-50.3-33.2-178.252.60000114.5R33 H36 S62 V63R33-S60 VanDerWaalsContact CD-CB 3.45Å; R33-S60 VanDerWaalsContact CZ-OG 3.23Å; R33-S60 VanDerWaalsContact NE-CB 3.26Å; R33-S60 PolarHBondContact NE-OG 2.96Å; H36-S60 PolarHBondContact CE1-N 3.09Å; H36-S60 VanDerWaalsContact CE1-N 3.3Å; S60-S62 VanDerWaalsContact C-N 3.3Å; S60-S62 PolarHBondContact O-N 3.48Å; S60-V63 PolarHBondContact O-N 3.46Å
61D84.9Confident89.5Confident118 Ų11874.7 Ų74.763%0.63140%0.395SS*.THydrogen-bonded Turntrans-84.4-9.8-169.4-57.2-4.6000112K59 K64K59-D61 PolarHBondContact O-N 3.17Å; D61-K64 WeakPolarHBondContact O-CE 3.22Å; D61-K64 WeakPolarHBondContact O-CG 3.27Å
62S87.1Confident89.7Confident64 Ų6472.1 Ų72.145%0.44837%0.369SS..THydrogen-bonded Turntrans-75.9-42.3165.8-172.10000111N56 K59 S60 K64N56-S62 WeakPolarHBondContact O-CB 3.41Å; K59-S62 WeakPolarHBondContact O-CB 3.49Å; K59-S62 PolarHBondContact O-N 3.28Å; K59-S62 VanDerWaalsContact O-N 3.07Å; S60-S62 VanDerWaalsContact C-N 3.3Å; S60-S62 PolarHBondContact O-N 3.48Å; S62-K64 VanDerWaalsContact C-N 3.26Å; S62-K64 PolarHBondContact O-N 3.48Å
63V88.6Confident89.9Confident9 Ų972.1 Ų72.16%0.05537%0.368CS..  trans-82.364.8-170.6-163.50000111.4F32 S60 K69F32-V63 HydrophobicContact CE1-CB 4.19Å; F32-V63 HydrophobicContact CE1-CG1 4.1Å; F32-V63 HydrophobicContact CZ-CB 4.31Å; F32-V63 HydrophobicContact CZ-CG1 3.8Å; S60-V63 PolarHBondContact O-N 3.46Å; V63-K69 HydrophobicContact CG1-CG 3.99Å; V63-K69 WeakPolarHBondContact O-CE 3.45Å
64K89.3Confident89.9Confident148 Ų14875 Ų7564%0.64338%0.382SS*.  trans-83.6-40.8-177.1-61.2-171.3-170.7-1780113.3D61 S62 K69D61-K64 WeakPolarHBondContact O-CE 3.22Å; D61-K64 WeakPolarHBondContact O-CG 3.27Å; S62-K64 VanDerWaalsContact C-N 3.26Å; S62-K64 PolarHBondContact O-N 3.48Å; K64-K69 VanDerWaalsContact O-CE 3.3Å; K64-K69 WeakPolarHBondContact O-CE 3.33Å; K64-K69 PolarHBondContact O-NZ 2.91Å
65D91.8Very high90.1Very high104 Ų10471.2 Ų71.256%0.55636%0.364SS*.SBendtrans-74.4153.3-170.4-55.9-74.6000113.6D67 K69D65-D67 VanDerWaalsContact C-N 3.29Å; D65-D67 PolarHBondContact O-N 2.98Å; D65-K69 WeakPolarHBondContact O-CB 3.46Å; D65-K69 WeakPolarHBondContact O-CD 3.35Å; D65-K69 WeakPolarHBondContact O-CG 3.41Å; D65-K69 PolarHBondContact O-N 2.68Å
66K91.5Very high90.4Very high138 Ų13863.8 Ų63.860%0.633%0.33SS*.Hα-helixtrans-59.2-42.3-179.9-175.6-162.8169.1-157.80111.5K69 M70 V96K66-K69 WeakPolarHBondContact O-CB 3.22Å; K66-K69 PolarHBondContact O-N 3.15Å; K66-M70 HydrophobicContact CD-CE 4.48Å; K66-M70 HydrophobicContact CG-CE 4.31Å; K66-M70 WeakPolarHBondContact O-CG 3.39Å; K66-M70 PolarHBondContact O-N 3.15Å; K66-M70 VanDerWaalsContact O-N 3.07Å; K66-V96 HydrophobicContact CG-CG1 4.33Å
67D91.8Very high90.8Very high105 Ų10559.7 Ų59.756%0.56131%0.308SS*.Hα-helixtrans-79.2-38.4-172.5-54-33.8000110.9D65 K69 M70 A71D65-D67 VanDerWaalsContact C-N 3.29Å; D65-D67 PolarHBondContact O-N 2.98Å; D67-K69 VanDerWaalsContact C-N 3.32Å; D67-K69 PolarHBondContact O-N 3.41Å; D67-M70 HydrophobicContact CB-CE 4.28Å; D67-M70 PolarHBondContact O-N 3.37Å; D67-M70 WeakPolarHBondContact OD1-CE 3.37Å; D67-A71 PolarHBondContact O-N 3.31Å
68S91.9Very high91Very high53 Ų5358.9 Ų58.937%0.37131%0.305SS..Hα-helixtrans-58.2-40.9168.2-47.30000112.1M70 A71 Y72S68-M70 VanDerWaalsContact C-N 3.34Å; S68-M70 PolarHBondContact O-N 2.85Å; S68-A71 PolarHBondContact O-N 2.94Å; S68-Y72 VanDerWaalsContact O-CB 3.31Å; S68-Y72 WeakPolarHBondContact O-CB 3.26Å; S68-Y72 PolarHBondContact O-N 3.03Å
69K93.1Very high91.3Very high54 Ų5455.5 Ų55.524%0.23529%0.288CS..Hα-helixtrans-63.4-36.5172.9-73.2168.2173.3153.60112.9F32 V63 K64 D65 K66 D67 L73 V96F32-K69 HydrophobicContact CD1-CD 4.16Å; F32-K69 HydrophobicContact CD1-CG 3.93Å; F32-K69 HydrophobicContact CD2-CB 3.92Å; F32-K69 HydrophobicContact CD2-CD 4.34Å; F32-K69 HydrophobicContact CD2-CG 3.85Å; F32-K69 HydrophobicContact CE1-CG 3.82Å; F32-K69 HydrophobicContact CE2-CB 3.72Å; F32-K69 HydrophobicContact CE2-CG 3.72Å; F32-K69 HydrophobicContact CG-CB 4.49Å; F32-K69 HydrophobicContact CG-CD 4.08Å; F32-K69 HydrophobicContact CG-CG 3.96Å; F32-K69 HydrophobicContact CZ-CB 4.16Å; F32-K69 HydrophobicContact CZ-CG 3.73Å; V63-K69 HydrophobicContact CG1-CG 3.99Å; V63-K69 WeakPolarHBondContact O-CE 3.45Å; K64-K69 VanDerWaalsContact O-CE 3.3Å; K64-K69 WeakPolarHBondContact O-CE 3.33Å; K64-K69 PolarHBondContact O-NZ 2.91Å; D65-K69 WeakPolarHBondContact O-CB 3.46Å; D65-K69 WeakPolarHBondContact O-CD 3.35Å; D65-K69 WeakPolarHBondContact O-CG 3.41Å; D65-K69 PolarHBondContact O-N 2.68Å; K66-K69 WeakPolarHBondContact O-CB 3.22Å; K66-K69 PolarHBondContact O-N 3.15Å; D67-K69 VanDerWaalsContact C-N 3.32Å; D67-K69 PolarHBondContact O-N 3.41Å; K69-L73 WeakPolarHBondContact O-CG 3.25Å; K69-L73 PolarHBondContact O-N 3.38Å; K69-V96 HydrophobicContact CB-CG1 4.28Å; K69-V96 HydrophobicContact CB-CG2 3.85Å; K69-V96 HydrophobicContact CD-CG1 4.41Å
70M93.4Very high91.5Very high40 Ų4049.5 Ų49.520%0.19726%0.262CS..Hα-helixtrans-71.3-43.1175.7-70.4-174-59.700111.5K66 D67 S68 L73 Q74 P92 A93 V96K66-M70 HydrophobicContact CD-CE 4.48Å; K66-M70 HydrophobicContact CG-CE 4.31Å; K66-M70 WeakPolarHBondContact O-CG 3.39Å; K66-M70 PolarHBondContact O-N 3.15Å; K66-M70 VanDerWaalsContact O-N 3.07Å; D67-M70 HydrophobicContact CB-CE 4.28Å; D67-M70 PolarHBondContact O-N 3.37Å; D67-M70 WeakPolarHBondContact OD1-CE 3.37Å; S68-M70 VanDerWaalsContact C-N 3.34Å; S68-M70 PolarHBondContact O-N 2.85Å; M70-L73 PolarHBondContact O-N 3.07Å; M70-Q74 VanDerWaalsContact O-CB 3.31Å; M70-Q74 WeakPolarHBondContact O-CB 3.44Å; M70-Q74 PolarHBondContact O-N 3.42Å; M70-P92 HydrophobicContact CB-CB 4.21Å; M70-P92 HydrophobicContact CG-CB 4.39Å; M70-A93 HydrophobicContact SD-CB 3.62Å; M70-V96 HydrophobicContact CG-CB 4.46Å; M70-V96 HydrophobicContact CG-CG2 3.93Å
71A93.1Very high91.9Very high51 Ų5149 Ų4942%0.42126%0.257SS..Hα-helixtrans-61.8-45176.100000112.3D67 S68 L73 Q74 K75D67-A71 PolarHBondContact O-N 3.31Å; S68-A71 PolarHBondContact O-N 2.94Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 3.1Å; A71-Q74 PolarHBondContact O-N 2.81Å; A71-K75 PolarHBondContact O-N 3.44Å
72Y94.9Very high92.1Very high0 Ų045.3 Ų45.30%024%0.237CC..Hα-helixtrans-56.5-45.9175.8177.9-89.1000112.1F32 H36 F39 Y53 E57 S68F32-Y72 AromaticContact CE2-CD1 3.79Å; F32-Y72 HydrophobicContact CE2-CD1 3.79Å; F32-Y72 HydrophobicContact CE2-CE1 4.48Å; F32-Y72 HydrophobicContact CE2-CG 4.46Å; F32-Y72 AromaticContact CZ-CD1 3.66Å; F32-Y72 HydrophobicContact CZ-CD1 3.66Å; F32-Y72 HydrophobicContact CZ-CE1 4.23Å; F32-Y72 HydrophobicContact CZ-CG 4.09Å; H36-Y72 HydrophobicContact CB-CE1 4.45Å; H36-Y72 AromaticContact CD2-CE1 3.77Å; H36-Y72 AromaticContact CD2-CE2 3.62Å; H36-Y72 AromaticContact CD2-CZ 3.29Å; H36-Y72 PolarHBondContact CD2-OH 2.99Å; H36-Y72 VanDerWaalsContact CD2-OH 3.29Å; H36-Y72 AromaticContact NE2-CE2 3.83Å; H36-Y72 AromaticContact NE2-CZ 3.85Å; F39-Y72 AromaticContact CD2-CE1 3.71Å; F39-Y72 HydrophobicContact CD2-CE1 3.71Å; F39-Y72 HydrophobicContact CE2-CE1 4.31Å; Y53-Y72 AromaticContact CD1-CD2 3.61Å; Y53-Y72 HydrophobicContact CD1-CD2 3.61Å; Y53-Y72 AromaticContact CD1-CE2 3.58Å; Y53-Y72 HydrophobicContact CD1-CE2 3.58Å; Y53-Y72 AromaticContact CD2-CE2 3.87Å; Y53-Y72 HydrophobicContact CD2-CE2 3.87Å; Y53-Y72 HydrophobicContact CE1-CD1 4.46Å; Y53-Y72 AromaticContact CE1-CD2 3.27Å; Y53-Y72 HydrophobicContact CE1-CD2 3.27Å; Y53-Y72 AromaticContact CE1-CE2 3.37Å; Y53-Y72 HydrophobicContact CE1-CE2 3.37Å; Y53-Y72 AromaticContact CE1-CG 3.86Å; Y53-Y72 HydrophobicContact CE1-CG 3.86Å; Y53-Y72 WeakPolarHBondContact CE1-O 3.17Å; Y53-Y72 HydrophobicContact CE2-CD2 4.43Å; Y53-Y72 HydrophobicContact CE2-CE1 4.5Å; Y53-Y72 AromaticContact CE2-CE2 3.68Å; Y53-Y72 HydrophobicContact CE2-CE2 3.68Å; Y53-Y72 AromaticContact CE2-CZ 3.7Å; Y53-Y72 HydrophobicContact CG-CD2 4.31Å; Y53-Y72 AromaticContact CG-CE2 3.82Å; Y53-Y72 HydrophobicContact CG-CE2 3.82Å; Y53-Y72 AromaticContact CZ-CD2 3.73Å; Y53-Y72 AromaticContact CZ-CE2 3.41Å; Y53-Y72 VanDerWaalsContact CZ-CE2 3.41Å; Y53-Y72 AromaticContact CZ-CZ 3.55Å; Y53-Y72 PolarHBondContact OH-O 3.26Å; E57-Y72 HydrophobicContact CB-CD2 4.25Å; E57-Y72 HydrophobicContact CB-CE2 4.47Å; S68-Y72 VanDerWaalsContact O-CB 3.31Å; S68-Y72 WeakPolarHBondContact O-CB 3.26Å; S68-Y72 PolarHBondContact O-N 3.03Å
73L94.3Very high92.3Very high1 Ų143.7 Ų43.71%0.00522%0.224CC..Hα-helixtrans-71.8-34.6176.8-67.4177.5000112.7F32 F39 K69 M70 A71 A76 V77 P92 I95 V96F32-L73 HydrophobicContact CD2-CD1 4.34Å; F32-L73 HydrophobicContact CD2-CG 4.42Å; F32-L73 HydrophobicContact CE2-CD1 4.46Å; F32-L73 HydrophobicContact CE2-CD2 4.33Å; F32-L73 HydrophobicContact CE2-CG 4.08Å; F39-L73 HydrophobicContact CE2-CD2 3.73Å; F39-L73 HydrophobicContact CZ-CD2 4.24Å; K69-L73 WeakPolarHBondContact O-CG 3.25Å; K69-L73 PolarHBondContact O-N 3.38Å; M70-L73 PolarHBondContact O-N 3.07Å; A71-L73 VanDerWaalsContact C-N 3.35Å; A71-L73 PolarHBondContact O-N 3.1Å; L73-A76 PolarHBondContact O-N 2.82Å; L73-V77 WeakPolarHBondContact O-CG2 3.3Å; L73-V77 PolarHBondContact O-N 3.25Å; L73-P92 HydrophobicContact CB-CB 3.93Å; L73-P92 HydrophobicContact CB-CG 4.02Å; L73-I95 HydrophobicContact CD1-CB 3.84Å; L73-I95 HydrophobicContact CD1-CD1 4.34Å; L73-I95 HydrophobicContact CD1-CG2 3.68Å; L73-V96 HydrophobicContact CD1-CG2 3.81Å
74Q94.6Very high92.2Very high75 Ų7544.8 Ų44.835%0.3523%0.233SC..Hα-helixtrans-61.8-46.6178.6-170.962.556.500111.1M70 A71 A76 V77 D78 P92M70-Q74 VanDerWaalsContact O-CB 3.31Å; M70-Q74 WeakPolarHBondContact O-CB 3.44Å; M70-Q74 PolarHBondContact O-N 3.42Å; A71-Q74 PolarHBondContact O-N 2.81Å; Q74-A76 VanDerWaalsContact C-N 3.28Å; Q74-A76 PolarHBondContact O-N 2.73Å; Q74-V77 PolarHBondContact O-N 2.78Å; Q74-D78 WeakPolarHBondContact CG-OD2 3.28Å; Q74-D78 VanDerWaalsContact NE2-CG 3.28Å; Q74-D78 PolarHBondContact NE2-OD1 3.41Å; Q74-D78 PolarHBondContact NE2-OD2 2.96Å; Q74-D78 VanDerWaalsContact NE2-OD2 3.13Å; Q74-D78 PolarHBondContact O-N 2.97Å; Q74-P92 HydrophobicContact CB-CG 4.1Å
75K93.1Very high92Very high40 Ų4040.1 Ų40.117%0.17423%0.226CC..Hα-helixtrans-47.9-47.8173.2-78.8179.2170.5-1780112.5L52 Y53 E57 A71 V79L52-K75 HydrophobicContact CD1-CB 3.99Å; L52-K75 HydrophobicContact CD1-CG 4.38Å; L52-K75 HydrophobicContact CD2-CB 4.24Å; L52-K75 HydrophobicContact CG-CB 4.08Å; Y53-K75 HydrophobicContact CD1-CD 3.95Å; Y53-K75 HydrophobicContact CE1-CB 3.93Å; Y53-K75 HydrophobicContact CE1-CD 3.86Å; E57-K75 IonicContact OE1-NZ 3.84Å; E57-K75 PolarHBondContact OE1-NZ 3.35Å; E57-K75 IonicContact OE2-NZ 2.82Å; E57-K75 PolarHBondContact OE2-NZ 2.99Å; A71-K75 PolarHBondContact O-N 3.44Å; K75-V79 WeakPolarHBondContact O-CG2 3.16Å; K75-V79 PolarHBondContact O-N 2.98Å
76A93.1Very high91.7Very high0 Ų039 Ų390%022%0.218CC..Hα-helixtrans-69.1-41.9178.400000113F39 M49 Y53 L73 Q74 D78 V80F39-A76 HydrophobicContact CD2-CB 4.13Å; F39-A76 HydrophobicContact CE2-CB 3.64Å; F39-A76 HydrophobicContact CZ-CB 4.2Å; M49-A76 HydrophobicContact SD-CB 4.29Å; Y53-A76 WeakPolarHBondContact OH-CB 3.44Å; L73-A76 PolarHBondContact O-N 2.82Å; Q74-A76 VanDerWaalsContact C-N 3.28Å; Q74-A76 PolarHBondContact O-N 2.73Å; A76-D78 PolarHBondContact O-N 3Å; A76-V80 WeakPolarHBondContact O-CB 3.34Å; A76-V80 WeakPolarHBondContact O-CG2 3.32Å; A76-V80 PolarHBondContact O-N 2.71Å
77V93.8Very high91.5Very high5 Ų537.4 Ų37.43%0.0322%0.222CC..Hα-helixtrans-59.9-46.4177.8170.80000110.8L73 Q74 V80 M81 L107L73-V77 WeakPolarHBondContact O-CG2 3.3Å; L73-V77 PolarHBondContact O-N 3.25Å; Q74-V77 PolarHBondContact O-N 2.78Å; V77-V80 PolarHBondContact O-N 3.26Å; V77-M81 HydrophobicContact CG1-CG 4.5Å; V77-M81 HydrophobicContact CG1-SD 3.84Å; V77-M81 WeakPolarHBondContact O-CB 3.25Å; V77-M81 WeakPolarHBondContact O-CG 3.48Å; V77-M81 PolarHBondContact O-N 3.17Å; V77-L107 HydrophobicContact CG2-CD1 4.16Å; V77-L107 HydrophobicContact CG2-CD2 3.89Å
78D92.8Very high91.3Very high14 Ų1433.1 Ų33.18%0.07520%0.199CC..Hα-helixtrans-66.2-44.3-177.1-63.8-32.5000111.9Q74 A76 V80 M81 L82 V128Q74-D78 WeakPolarHBondContact CG-OD2 3.28Å; Q74-D78 VanDerWaalsContact NE2-CG 3.28Å; Q74-D78 PolarHBondContact NE2-OD1 3.41Å; Q74-D78 PolarHBondContact NE2-OD2 2.96Å; Q74-D78 VanDerWaalsContact NE2-OD2 3.13Å; Q74-D78 PolarHBondContact O-N 2.97Å; A76-D78 PolarHBondContact O-N 3Å; D78-V80 PolarHBondContact O-N 3.48Å; D78-M81 PolarHBondContact O-N 3.31Å; D78-L82 PolarHBondContact O-N 3.42Å; D78-V128 HydrophobicContact CB-CB 4.5Å; D78-V128 HydrophobicContact CB-CG1 4.03Å; D78-V128 HydrophobicContact CB-CG2 3.58Å
79V92.6Very high91.2Very high0 Ų032.9 Ų32.90%020%0.2CC..Hα-helixtrans-63.7-41.1176.3172.80000111.4M49 L52 K75 L82 V83 A124 V125 V128M49-V79 HydrophobicContact CG-CG1 3.95Å; M49-V79 HydrophobicContact SD-CG1 4.5Å; L52-V79 HydrophobicContact CD1-CG2 3.66Å; L52-V79 HydrophobicContact CD2-CB 4.28Å; L52-V79 HydrophobicContact CD2-CG2 3.86Å; L52-V79 HydrophobicContact CG-CG2 4.39Å; K75-V79 WeakPolarHBondContact O-CG2 3.16Å; K75-V79 PolarHBondContact O-N 2.98Å; V79-L82 PolarHBondContact O-N 3.32Å; V79-V83 HydrophobicContact CG1-CG2 4.26Å; V79-V83 WeakPolarHBondContact O-CG2 3.33Å; V79-V83 PolarHBondContact O-N 3.19Å; V79-A124 HydrophobicContact CG1-CB 4.04Å; V79-V125 HydrophobicContact CG1-CG2 4.17Å; V79-V125 HydrophobicContact CG2-CG2 4.17Å; V79-V128 HydrophobicContact CG2-CB 3.92Å; V79-V128 HydrophobicContact CG2-CG1 4.29Å; V79-V128 HydrophobicContact CG2-CG2 3.68Å
80V92.3Very high91.2Very high0 Ų030.6 Ų30.60%019%0.191CC..Hα-helixtrans-68.7-36.3178.5178.70000111.2F48 M49 A76 V77 D78 S84 L88 L107 A110 I111F48-V80 HydrophobicContact CE1-CG2 4.23Å; F48-V80 HydrophobicContact CZ-CG2 4.42Å; M49-V80 HydrophobicContact SD-CG2 4.28Å; A76-V80 WeakPolarHBondContact O-CB 3.34Å; A76-V80 WeakPolarHBondContact O-CG2 3.32Å; A76-V80 PolarHBondContact O-N 2.71Å; V77-V80 PolarHBondContact O-N 3.26Å; D78-V80 PolarHBondContact O-N 3.48Å; V80-S84 VanDerWaalsContact O-CB 3.26Å; V80-S84 WeakPolarHBondContact O-CB 3.43Å; V80-S84 PolarHBondContact O-N 2.93Å; V80-S84 PolarHBondContact O-OG 2.77Å; V80-L88 HydrophobicContact CB-CD1 4.11Å; V80-L88 HydrophobicContact CG1-CD1 3.8Å; V80-L107 HydrophobicContact CB-CD1 4.46Å; V80-L107 HydrophobicContact CG2-CD1 4.4Å; V80-A110 HydrophobicContact CG1-CB 3.7Å; V80-I111 HydrophobicContact CG1-CG1 4.46Å; V80-I111 HydrophobicContact CG2-CD1 4.32Å; V80-I111 HydrophobicContact CG2-CG1 3.49Å; V80-I111 VanDerWaalsContact CG2-CG1 3.49Å
81M91.8Very high91.2Very high10 Ų1035 Ų355%0.04921%0.209CC..Hα-helixtrans-67.3-34.6173.9-79.2178.347.900113.1V77 D78 G85 L88 V134 L136V77-M81 HydrophobicContact CG1-CG 4.5Å; V77-M81 HydrophobicContact CG1-SD 3.84Å; V77-M81 WeakPolarHBondContact O-CB 3.25Å; V77-M81 WeakPolarHBondContact O-CG 3.48Å; V77-M81 PolarHBondContact O-N 3.17Å; D78-M81 PolarHBondContact O-N 3.31Å; M81-G85 WeakPolarHBondContact O-CA 3.45Å; M81-G85 PolarHBondContact O-N 2.92Å; M81-L88 HydrophobicContact CG-CB 3.88Å; M81-L88 HydrophobicContact CG-CD1 4.06Å; M81-L88 HydrophobicContact CG-CG 3.81Å; M81-L88 HydrophobicContact SD-CB 3.93Å; M81-V134 HydrophobicContact CE-CB 4.13Å; M81-V134 HydrophobicContact CE-CG1 3.9Å; M81-V134 WeakPolarHBondContact CE-O 3.4Å; M81-L136 HydrophobicContact CE-CD2 3.49Å; M81-L136 VanDerWaalsContact CE-CD2 3.49Å; M81-L136 HydrophobicContact CE-CG 4Å; M81-L136 HydrophobicContact SD-CD2 4.32Å
82L90.1Very high91.2Very high41 Ų4133 Ų3322%0.21519%0.192CC..Hα-helixtrans-67.5-50.6171.4-76.2176.3000111.9D78 V79 A124 R127 V128 V134D78-L82 PolarHBondContact O-N 3.42Å; V79-L82 PolarHBondContact O-N 3.32Å; L82-A124 HydrophobicContact CB-CB 3.7Å; L82-A124 HydrophobicContact CD1-CB 3.86Å; L82-A124 HydrophobicContact CG-CB 4.45Å; L82-R127 HydrophobicContact CD1-CB 3.87Å; L82-V128 HydrophobicContact CD1-CG2 3.77Å; L82-V134 HydrophobicContact CD1-CG2 4.43Å; L82-V134 HydrophobicContact CD2-CG2 3.47Å; L82-V134 VanDerWaalsContact CD2-CG2 3.47Å; L82-V134 HydrophobicContact CG-CG2 3.69Å
83V90.7Very high91.2Very high29 Ų2935.8 Ų35.818%0.17622%0.215CC..Hα-helixtrans-73.7-40.5-173177.10000112.8F48 V79 C114 L119 A124F48-V83 HydrophobicContact CE2-CB 4.41Å; F48-V83 HydrophobicContact CE2-CG1 4.05Å; F48-V83 HydrophobicContact CE2-CG2 4.29Å; F48-V83 HydrophobicContact CZ-CG1 4.49Å; V79-V83 HydrophobicContact CG1-CG2 4.26Å; V79-V83 WeakPolarHBondContact O-CG2 3.33Å; V79-V83 PolarHBondContact O-N 3.19Å; V83-C114 HydrophobicContact CG1-CB 4.38Å; V83-L119 HydrophobicContact CG1-CB 3.48Å; V83-L119 VanDerWaalsContact CG1-CB 3.48Å; V83-L119 HydrophobicContact CG1-CD1 3.78Å; V83-L119 HydrophobicContact CG1-CG 4.28Å; V83-A124 HydrophobicContact CG2-CB 3.57Å
84S87.2Confident91.2Very high33 Ų3342.1 Ų42.123%0.23124%0.239CC..Hα-helixtrans-80-28179.767.60000113.3V80 E86V80-S84 VanDerWaalsContact O-CB 3.26Å; V80-S84 WeakPolarHBondContact O-CB 3.43Å; V80-S84 PolarHBondContact O-N 2.93Å; V80-S84 PolarHBondContact O-OG 2.77Å; S84-E86 PolarHBondContact O-N 2.86Å; S84-E86 VanDerWaalsContact O-N 3.17Å; S84-E86 PolarHBondContact OG-N 2.99Å; S84-E86 VanDerWaalsContact OG-N 3.12Å
85G84.4Confident91.1Very high49 Ų4939 Ų3951%0.50522%0.224SC..  trans68.4-4.9-166.800000114.7M81M81-G85 WeakPolarHBondContact O-CA 3.45Å; M81-G85 PolarHBondContact O-N 2.92Å
86E85.5Confident91.1Very high82 Ų8239.1 Ų39.138%0.38323%0.228SC..PPolyproline II helixtrans-81.4130.4178.2-65.7-178171.500110.2S84 L88 K113S84-E86 PolarHBondContact O-N 2.86Å; S84-E86 VanDerWaalsContact O-N 3.17Å; S84-E86 PolarHBondContact OG-N 2.99Å; S84-E86 VanDerWaalsContact OG-N 3.12Å; E86-L88 PolarHBondContact O-N 3.19Å; E86-K113 IonicContact OE1-NZ 2.71Å; E86-K113 PolarHBondContact OE1-NZ 3.48Å; E86-K113 IonicContact OE2-NZ 2.73Å; E86-K113 PolarHBondContact OE2-NZ 3.04Å
87P87.1Confident91.1Very high104 Ų10441.5 Ų41.568%0.67525%0.247SC*.PPolyproline II helixtrans-72.6118176.928.1-32.9000111.1L136P87-L136 HydrophobicContact CB-CD2 3.57Å
88L88.4Confident90.9Very high15 Ų1542.2 Ų42.28%0.07926%0.256CS..PPolyproline II helixtrans-89.8127.3179.8-65.8-178.6000112.1V80 M81 E86 A90 L107 A110V80-L88 HydrophobicContact CB-CD1 4.11Å; V80-L88 HydrophobicContact CG1-CD1 3.8Å; M81-L88 HydrophobicContact CG-CB 3.88Å; M81-L88 HydrophobicContact CG-CD1 4.06Å; M81-L88 HydrophobicContact CG-CG 3.81Å; M81-L88 HydrophobicContact SD-CB 3.93Å; E86-L88 PolarHBondContact O-N 3.19Å; L88-A90 PolarHBondContact O-N 3.17Å; L88-L107 HydrophobicContact CD1-CD1 3.6Å; L88-A110 HydrophobicContact CD2-CB 3.97Å
89A89.7Confident90.8Very high48 Ų4846.2 Ų46.240%0.39727%0.274SS..  trans-79.4-2.4177.100000114.2K91 K103A89-K91 PolarHBondContact O-N 2.83Å; A89-K103 HydrophobicContact CB-CD 3.92Å; A89-K103 WeakPolarHBondContact O-CD 3.16Å
90A91.8Very high90.7Very high6 Ų649.3 Ų49.35%0.0529%0.289CS..  trans-79.5112.1-170.300000112.2L88 I95 K103 L107L88-A90 PolarHBondContact O-N 3.17Å; A90-I95 HydrophobicContact CB-CD1 4.3Å; A90-K103 HydrophobicContact CB-CB 4.13Å; A90-L107 HydrophobicContact CB-CB 4.18Å
91K93.4Very high90.7Very high133 Ų13350.6 Ų50.658%0.57830%0.297SS*.  trans-99.1119.2-177.5-63.6-170.8176.1-169.30111.6A89 A93 R94 I95A89-K91 PolarHBondContact O-N 2.83Å; K91-A93 VanDerWaalsContact C-N 3.28Å; K91-A93 PolarHBondContact O-N 3.32Å; K91-A93 VanDerWaalsContact O-N 3.1Å; K91-R94 HydrophobicContact CB-CG 4.35Å; K91-R94 WeakPolarHBondContact O-CB 3.49Å; K91-R94 PolarHBondContact O-N 3.13Å; K91-I95 PolarHBondContact O-N 3.29Å
92P94.3Very high90.7Very high9 Ų953.2 Ų53.26%0.05831%0.309CS..Hα-helixtrans-46.6-43.3-179.5-36.240.3000115.4M70 L73 Q74 R94 I95 V96M70-P92 HydrophobicContact CB-CB 4.21Å; M70-P92 HydrophobicContact CG-CB 4.39Å; L73-P92 HydrophobicContact CB-CB 3.93Å; L73-P92 HydrophobicContact CB-CG 4.02Å; Q74-P92 HydrophobicContact CB-CG 4.1Å; P92-R94 VanDerWaalsContact C-N 3.26Å; P92-R94 PolarHBondContact O-N 2.91Å; P92-I95 PolarHBondContact O-N 3.38Å; P92-I95 VanDerWaalsContact O-N 3.13Å; P92-V96 WeakPolarHBondContact O-CG2 3.46Å; P92-V96 PolarHBondContact O-N 3.5Å
93A94.4Very high90.8Very high58 Ų5854.1 Ų54.148%0.47931%0.311SS..Hα-helixtrans-60.2-30177.900000114.4M70 K91M70-A93 HydrophobicContact SD-CB 3.62Å; K91-A93 VanDerWaalsContact C-N 3.28Å; K91-A93 PolarHBondContact O-N 3.32Å; K91-A93 VanDerWaalsContact O-N 3.1Å
94R93.9Very high91Very high134 Ų13452.9 Ų52.951%0.50630%0.304SS..Hα-helixtrans-79.9-38.9174.4-67.2-66.9-172.8-174.2-0.6111.3K91 P92 A97 G98 H99 E100K91-R94 HydrophobicContact CB-CG 4.35Å; K91-R94 WeakPolarHBondContact O-CB 3.49Å; K91-R94 PolarHBondContact O-N 3.13Å; P92-R94 VanDerWaalsContact C-N 3.26Å; P92-R94 PolarHBondContact O-N 2.91Å; R94-A97 PolarHBondContact O-N 3.5Å; R94-G98 PolarHBondContact O-N 3.26Å; R94-H99 HydrophobicContact CB-CB 4.44Å; R94-H99 PolarHBondContact O-N 3.42Å; R94-E100 HydrophobicContact CB-CB 4.45Å; R94-E100 HydrophobicContact CB-CG 4.16Å; R94-E100 HydrophobicContact CG-CG 4.32Å
95I93.8Very high91.3Very high10 Ų1051.3 Ų51.35%0.05129%0.293CS..Hα-helixtrans-62.4-48.1177.5-54.6172.7000110.7L35 L73 A90 K91 P92 A97 G98 T104 L107L35-I95 HydrophobicContact CD1-CG2 3.42Å; L35-I95 VanDerWaalsContact CD1-CG2 3.42Å; L73-I95 HydrophobicContact CD1-CB 3.84Å; L73-I95 HydrophobicContact CD1-CD1 4.34Å; L73-I95 HydrophobicContact CD1-CG2 3.68Å; A90-I95 HydrophobicContact CB-CD1 4.3Å; K91-I95 PolarHBondContact O-N 3.29Å; P92-I95 PolarHBondContact O-N 3.38Å; P92-I95 VanDerWaalsContact O-N 3.13Å; I95-A97 PolarHBondContact O-N 2.87Å; I95-G98 WeakPolarHBondContact O-CA 3.3Å; I95-G98 PolarHBondContact O-N 3.32Å; I95-T104 HydrophobicContact CD1-CG2 4.48Å; I95-T104 HydrophobicContact CG1-CG2 4.45Å; I95-T104 HydrophobicContact CG2-CG2 3.88Å; I95-L107 HydrophobicContact CD1-CD2 4.3Å
96V92.8Very high91.7Very high42 Ų4253.3 Ų53.326%0.25529%0.289SS..Hα-helixtrans-62.5-29.8179.1176.30000112.3K66 K69 M70 L73 P92 G98K66-V96 HydrophobicContact CG-CG1 4.33Å; K69-V96 HydrophobicContact CB-CG1 4.28Å; K69-V96 HydrophobicContact CB-CG2 3.85Å; K69-V96 HydrophobicContact CD-CG1 4.41Å; M70-V96 HydrophobicContact CG-CB 4.46Å; M70-V96 HydrophobicContact CG-CG2 3.93Å; L73-V96 HydrophobicContact CD1-CG2 3.81Å; P92-V96 WeakPolarHBondContact O-CG2 3.46Å; P92-V96 PolarHBondContact O-N 3.5Å; V96-G98 VanDerWaalsContact C-N 3.28Å; V96-G98 PolarHBondContact O-N 2.89Å
97A92.2Very high92.1Very high49 Ų4949.6 Ų49.641%0.40527%0.272SS..THydrogen-bonded Turntrans-79.5-5.4173.100000114.1R94 I95R94-A97 PolarHBondContact O-N 3.5Å; I95-A97 PolarHBondContact O-N 2.87Å
98G89.9Confident92.5Very high21 Ų2144.7 Ų44.722%0.21624%0.24CC..THydrogen-bonded Turntrans68.832-175.300000113.4R29 R94 I95 V96R29-G98 PolarHBondContact NE-O 2.87Å; R94-G98 PolarHBondContact O-N 3.26Å; I95-G98 WeakPolarHBondContact O-CA 3.3Å; I95-G98 PolarHBondContact O-N 3.32Å; V96-G98 VanDerWaalsContact C-N 3.28Å; V96-G98 PolarHBondContact O-N 2.89Å
99H90.8Very high92.7Very high97 Ų9745.4 Ų45.445%0.44924%0.243SC..  trans-106.5167.1172.6-65.6-57.6000111.2R94R94-H99 HydrophobicContact CB-CB 4.44Å; R94-H99 PolarHBondContact O-N 3.42Å
100E90.8Very high92.9Very high66 Ų6643.3 Ų43.331%0.30823%0.225SC..  trans51.145.8178.7-50.1-163.7133.400114.8R94 E102 K103 T104R94-E100 HydrophobicContact CB-CB 4.45Å; R94-E100 HydrophobicContact CB-CG 4.16Å; R94-E100 HydrophobicContact CG-CG 4.32Å; E100-E102 PolarHBondContact O-N 2.81Å; E100-K103 HydrophobicContact CB-CB 4.49Å; E100-K103 HydrophobicContact CB-CD 4.15Å; E100-K103 HydrophobicContact CB-CG 4.31Å; E100-K103 PolarHBondContact O-N 3.36Å; E100-K103 WeakPolarHBondContact OE1-CE 3.37Å; E100-K103 IonicContact OE1-NZ 3.68Å; E100-K103 PolarHBondContact OE1-NZ 2.99Å; E100-K103 WeakPolarHBondContact OE2-CD 3.39Å; E100-K103 IonicContact OE2-NZ 2.78Å; E100-K103 PolarHBondContact OE2-NZ 3.01Å; E100-T104 PolarHBondContact O-N 2.89Å; E100-T104 PolarHBondContact O-OG1 3.42Å
101P90.9Very high93Very high27 Ų2743 Ų4318%0.17522%0.223CC..Hα-helixtrans-60.7-24.9-174.727.8-37.1000113.2M1 S28 T104 N105M1-P101 HydrophobicContact CB-CG 4.28Å; M1-P101 HydrophobicContact CG-CB 4.4Å; M1-P101 HydrophobicContact CG-CG 4.06Å; S28-P101 WeakPolarHBondContact O-CB 3.44Å; S28-P101 VanDerWaalsContact O-CG 3.27Å; S28-P101 WeakPolarHBondContact O-CG 3.49Å; P101-T104 WeakPolarHBondContact O-CB 3.47Å; P101-T104 PolarHBondContact O-N 3.35Å; P101-N105 PolarHBondContact O-N 3.02Å; P101-N105 PolarHBondContact O-ND2 2.9Å
102E92.2Very high92.9Very high65 Ų6536.7 Ų36.730%0.30420%0.195SC..Hα-helixtrans-63.6-45.2176.5-63.2-176.7158.700111.1M1 N2 E100 T104 N105 E106M1-E102 VanDerWaalsContact C-OE1 3.32Å; M1-E102 WeakPolarHBondContact CA-OE1 3.49Å; M1-E102 HydrophobicContact CB-CG 4.44Å; M1-E102 HydrophobicContact CG-CG 3.8Å; N2-E102 PolarHBondContact N-OE1 2.8Å; N2-E102 PolarHBondContact ND2-OE1 3.14Å; E100-E102 PolarHBondContact O-N 2.81Å; E102-T104 VanDerWaalsContact C-N 3.34Å; E102-T104 PolarHBondContact O-N 3.08Å; E102-N105 CarbonylContact O-C 3.6Å; E102-N105 WeakPolarHBondContact O-CA 3.23Å; E102-N105 WeakPolarHBondContact O-CB 3.4Å; E102-N105 PolarHBondContact O-N 3.24Å; E102-N105 VanDerWaalsContact O-N 3.09Å; E102-E106 WeakPolarHBondContact O-CG 3.39Å; E102-E106 PolarHBondContact O-N 3.06Å
103K92.9Very high92.8Very high59 Ų5940.5 Ų40.526%0.25721%0.211SC..Hα-helixtrans-67.8-33.8174.6-52.8-175.3-169169.40112.4A89 A90 E100 N105 E106 L107A89-K103 HydrophobicContact CB-CD 3.92Å; A89-K103 WeakPolarHBondContact O-CD 3.16Å; A90-K103 HydrophobicContact CB-CB 4.13Å; E100-K103 HydrophobicContact CB-CB 4.49Å; E100-K103 HydrophobicContact CB-CD 4.15Å; E100-K103 HydrophobicContact CB-CG 4.31Å; E100-K103 PolarHBondContact O-N 3.36Å; E100-K103 WeakPolarHBondContact OE1-CE 3.37Å; E100-K103 IonicContact OE1-NZ 3.68Å; E100-K103 PolarHBondContact OE1-NZ 2.99Å; E100-K103 WeakPolarHBondContact OE2-CD 3.39Å; E100-K103 IonicContact OE2-NZ 2.78Å; E100-K103 PolarHBondContact OE2-NZ 3.01Å; K103-N105 VanDerWaalsContact C-N 3.27Å; K103-N105 PolarHBondContact O-N 3.22Å; K103-E106 WeakPolarHBondContact CA-OE2 3.26Å; K103-E106 WeakPolarHBondContact O-CB 3.31Å; K103-E106 PolarHBondContact O-N 2.7Å; K103-L107 PolarHBondContact O-N 2.8Å
104T94.5Very high92.6Very high3 Ų337.8 Ų37.82%0.01819%0.189CC..Hα-helixtrans-62.1-37.8171.2-44.20000111.1P30 L35 I95 E100 P101 E102 L108P30-T104 HydrophobicContact CG-CG2 3.84Å; L35-T104 HydrophobicContact CD1-CG2 3.94Å; L35-T104 HydrophobicContact CD2-CG2 3.94Å; I95-T104 HydrophobicContact CD1-CG2 4.48Å; I95-T104 HydrophobicContact CG1-CG2 4.45Å; I95-T104 HydrophobicContact CG2-CG2 3.88Å; E100-T104 PolarHBondContact O-N 2.89Å; E100-T104 PolarHBondContact O-OG1 3.42Å; P101-T104 WeakPolarHBondContact O-CB 3.47Å; P101-T104 PolarHBondContact O-N 3.35Å; E102-T104 VanDerWaalsContact C-N 3.34Å; E102-T104 PolarHBondContact O-N 3.08Å; T104-L108 WeakPolarHBondContact O-CG 3.48Å; T104-L108 PolarHBondContact O-N 3.19Å; T104-L108 VanDerWaalsContact O-N 3.13Å
105N93.5Very high92.4Very high0 Ų032.1 Ų32.10%017%0.17CC..Hα-helixtrans-72.2-33.4174.8-82.8-102.2000112.3M1 V5 T9 L27 P101 E102 K103 L108 Q109M1-N105 HydrophobicContact CE-CB 4.48Å; M1-N105 VanDerWaalsContact CE-ND2 3.33Å; M1-N105 WeakPolarHBondContact CE-ND2 3.41Å; V5-N105 HydrophobicContact CG1-CB 3.66Å; T9-N105 WeakPolarHBondContact CB-OD1 3.42Å; T9-N105 WeakPolarHBondContact OG1-CB 3.5Å; T9-N105 PolarHBondContact OG1-OD1 3.45Å; L27-N105 PolarHBondContact O-ND2 3.45Å; P101-N105 PolarHBondContact O-N 3.02Å; P101-N105 PolarHBondContact O-ND2 2.9Å; E102-N105 CarbonylContact O-C 3.6Å; E102-N105 WeakPolarHBondContact O-CA 3.23Å; E102-N105 WeakPolarHBondContact O-CB 3.4Å; E102-N105 PolarHBondContact O-N 3.24Å; E102-N105 VanDerWaalsContact O-N 3.09Å; K103-N105 VanDerWaalsContact C-N 3.27Å; K103-N105 PolarHBondContact O-N 3.22Å; N105-L108 PolarHBondContact O-N 2.94Å; N105-Q109 WeakPolarHBondContact O-CB 3.43Å; N105-Q109 VanDerWaalsContact O-CG 3.25Å; N105-Q109 WeakPolarHBondContact O-CG 3.39Å; N105-Q109 PolarHBondContact O-N 3.32Å
106E93.2Very high92.2Very high92 Ų9235.8 Ų35.843%0.4319%0.189SC..Hα-helixtrans-61.4-44.2171.6-69.7166.1170.700111.7E102 K103 L108 Q109 A110E102-E106 WeakPolarHBondContact O-CG 3.39Å; E102-E106 PolarHBondContact O-N 3.06Å; K103-E106 WeakPolarHBondContact CA-OE2 3.26Å; K103-E106 WeakPolarHBondContact O-CB 3.31Å; K103-E106 PolarHBondContact O-N 2.7Å; E106-L108 PolarHBondContact O-N 3.09Å; E106-Q109 PolarHBondContact O-N 3.29Å; E106-A110 WeakPolarHBondContact O-CB 3.31Å; E106-A110 PolarHBondContact O-N 3.35Å
107L94.4Very high92Very high3 Ų339 Ų392%0.01620%0.204CC..Hα-helixtrans-57.7-46.9171.5168.564000111.8F39 V77 V80 L88 A90 I95 K103 Q109 A110 I111F39-L107 HydrophobicContact CZ-CD2 4.22Å; V77-L107 HydrophobicContact CG2-CD1 4.16Å; V77-L107 HydrophobicContact CG2-CD2 3.89Å; V80-L107 HydrophobicContact CB-CD1 4.46Å; V80-L107 HydrophobicContact CG2-CD1 4.4Å; L88-L107 HydrophobicContact CD1-CD1 3.6Å; A90-L107 HydrophobicContact CB-CB 4.18Å; I95-L107 HydrophobicContact CD1-CD2 4.3Å; K103-L107 PolarHBondContact O-N 2.8Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.96Å; L107-A110 PolarHBondContact O-N 3.17Å; L107-I111 HydrophobicContact CD1-CD1 3.98Å; L107-I111 HydrophobicContact CD1-CG1 4.32Å; L107-I111 HydrophobicContact CG-CD1 4.13Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.04Å
108L94.4Very high91.7Very high1 Ų145.9 Ų45.91%0.00523%0.225CC..Hα-helixtrans-61.8-38.9176.8-70.4178.9000112.7T9 L13 L27 L35 I38 F39 T104 N105 E106 A112T9-L108 HydrophobicContact CG2-CB 3.71Å; T9-L108 HydrophobicContact CG2-CD1 3.99Å; L13-L108 HydrophobicContact CD2-CB 4.39Å; L13-L108 HydrophobicContact CD2-CD2 4.29Å; L27-L108 HydrophobicContact CD2-CD1 4.07Å; L35-L108 HydrophobicContact CD2-CD1 4.2Å; L35-L108 HydrophobicContact CD2-CD2 4.42Å; I38-L108 HydrophobicContact CD1-CD1 4.4Å; I38-L108 HydrophobicContact CG2-CD2 3.76Å; F39-L108 HydrophobicContact CE1-CD2 3.88Å; T104-L108 WeakPolarHBondContact O-CG 3.48Å; T104-L108 PolarHBondContact O-N 3.19Å; T104-L108 VanDerWaalsContact O-N 3.13Å; N105-L108 PolarHBondContact O-N 2.94Å; E106-L108 PolarHBondContact O-N 3.09Å; L108-A112 PolarHBondContact O-N 2.98Å; L108-A112 VanDerWaalsContact O-N 3.08Å
109Q93.4Very high91.3Very high31 Ų3148.2 Ų48.215%0.14523%0.232CC..Hα-helixtrans-68.8-37.5175.6-71.7167.438.900111.7V5 T9 N105 E106 L107 A112 K113V5-Q109 PolarHBondContact O-NE2 3.16Å; V5-Q109 VanDerWaalsContact O-NE2 3.1Å; T9-Q109 PolarHBondContact OG1-NE2 3.47Å; N105-Q109 WeakPolarHBondContact O-CB 3.43Å; N105-Q109 VanDerWaalsContact O-CG 3.25Å; N105-Q109 WeakPolarHBondContact O-CG 3.39Å; N105-Q109 PolarHBondContact O-N 3.32Å; E106-Q109 PolarHBondContact O-N 3.29Å; L107-Q109 VanDerWaalsContact C-N 3.33Å; L107-Q109 PolarHBondContact O-N 2.96Å; Q109-A112 PolarHBondContact O-N 3.3Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 3.48Å
110A93.6Very high91.2Very high3 Ų347.7 Ų47.73%0.02524%0.24CC..Hα-helixtrans-65.9-43.6175.300000112.2V80 L88 E106 L107 A112 K113 C114V80-A110 HydrophobicContact CG1-CB 3.7Å; L88-A110 HydrophobicContact CD2-CB 3.97Å; E106-A110 WeakPolarHBondContact O-CB 3.31Å; E106-A110 PolarHBondContact O-N 3.35Å; L107-A110 PolarHBondContact O-N 3.17Å; A110-A112 VanDerWaalsContact C-N 3.32Å; A110-A112 PolarHBondContact O-N 3.37Å; A110-K113 WeakPolarHBondContact O-CB 3.15Å; A110-K113 PolarHBondContact O-N 3.29Å; A110-C114 PolarHBondContact O-N 3.35Å; A110-C114 PolarHBondContact O-SG 2.91Å; A110-C114 VanDerWaalsContact O-SG 3.35Å
111I92.8Very high91.1Very high0 Ų044.7 Ų44.70%023%0.226CC..Hα-helixtrans-56-48.1171.4-68.9163.7000110.3F39 V42 F48 V80 L107 K113 C114 C115F39-I111 HydrophobicContact CD1-CD1 4.06Å; F39-I111 HydrophobicContact CE1-CD1 3.46Å; F39-I111 VanDerWaalsContact CE1-CD1 3.46Å; F39-I111 HydrophobicContact CZ-CD1 4.02Å; V42-I111 HydrophobicContact CG1-CG2 3.88Å; V42-I111 HydrophobicContact CG2-CG2 4.31Å; F48-I111 HydrophobicContact CD1-CG2 4.28Å; F48-I111 HydrophobicContact CE1-CG2 4.29Å; V80-I111 HydrophobicContact CG1-CG1 4.46Å; V80-I111 HydrophobicContact CG2-CD1 4.32Å; V80-I111 HydrophobicContact CG2-CG1 3.49Å; V80-I111 VanDerWaalsContact CG2-CG1 3.49Å; L107-I111 HydrophobicContact CD1-CD1 3.98Å; L107-I111 HydrophobicContact CD1-CG1 4.32Å; L107-I111 HydrophobicContact CG-CD1 4.13Å; L107-I111 WeakPolarHBondContact O-CG1 3.44Å; L107-I111 PolarHBondContact O-N 3.04Å; I111-K113 PolarHBondContact O-N 2.91Å; I111-C114 PolarHBondContact O-N 2.95Å; I111-C115 PolarHBondContact O-N 3.37Å; I111-C115 PolarHBondContact O-SG 3.24Å
112A92.4Very high90.9Very high0 Ų047.6 Ų47.60%024%0.24CC..Hα-helixtrans-62.3-39.6178.200000112.9L13 V16 L108 Q109 A110 C115 L116L13-A112 HydrophobicContact CB-CB 4.26Å; L13-A112 HydrophobicContact CD1-CB 4.2Å; V16-A112 HydrophobicContact CG2-CB 4.35Å; L108-A112 PolarHBondContact O-N 2.98Å; L108-A112 VanDerWaalsContact O-N 3.08Å; Q109-A112 PolarHBondContact O-N 3.3Å; A110-A112 VanDerWaalsContact C-N 3.32Å; A110-A112 PolarHBondContact O-N 3.37Å; A112-C115 PolarHBondContact O-N 3.47Å; A112-L116 WeakPolarHBondContact O-CB 3.44Å; A112-L116 VanDerWaalsContact O-CG 3.23Å; A112-L116 WeakPolarHBondContact O-CG 3.31Å; A112-L116 PolarHBondContact O-N 3.32Å
113K92Very high90.8Very high89 Ų8949.6 Ų49.639%0.38725%0.249SC..Hα-helixtrans-56.9-51.2171.9-71.4176.2-174.9177.40111.1E86 Q109 A110 I111 C115 L116 N117E86-K113 IonicContact OE1-NZ 2.71Å; E86-K113 PolarHBondContact OE1-NZ 3.48Å; E86-K113 IonicContact OE2-NZ 2.73Å; E86-K113 PolarHBondContact OE2-NZ 3.04Å; Q109-K113 WeakPolarHBondContact O-CG 3.46Å; Q109-K113 PolarHBondContact O-N 3.48Å; A110-K113 WeakPolarHBondContact O-CB 3.15Å; A110-K113 PolarHBondContact O-N 3.29Å; I111-K113 PolarHBondContact O-N 2.91Å; K113-C115 VanDerWaalsContact C-N 3.31Å; K113-C115 PolarHBondContact O-N 2.95Å; K113-L116 PolarHBondContact O-N 3.48Å; K113-N117 VanDerWaalsContact O-CB 3.31Å; K113-N117 WeakPolarHBondContact O-CB 3.37Å; K113-N117 VanDerWaalsContact O-CG 3.24Å; K113-N117 PolarHBondContact O-N 3.23Å
114C90.8Very high90.6Very high1 Ų147.2 Ų47.21%0.00724%0.241CC..Hα-helixtrans-60.1-42.1-177.6-66.30000112F48 V83 A110 I111 K118 L119F48-C114 HydrophobicContact CD2-CB 4.45Å; F48-C114 HydrophobicContact CE1-CB 4.04Å; F48-C114 HydrophobicContact CE2-CB 3.77Å; F48-C114 HydrophobicContact CZ-CB 3.54Å; V83-C114 HydrophobicContact CG1-CB 4.38Å; A110-C114 PolarHBondContact O-N 3.35Å; A110-C114 PolarHBondContact O-SG 2.91Å; A110-C114 VanDerWaalsContact O-SG 3.35Å; I111-C114 PolarHBondContact O-N 2.95Å; C114-K118 PolarHBondContact O-N 3.02Å; C114-L119 PolarHBondContact O-N 2.65Å; C114-L119 VanDerWaalsContact O-N 3.17Å
115C89.9Confident90.5Very high16 Ų1647.5 Ų47.511%0.10824%0.242CC..Hα-helixtrans-63.3-49.7175.8-63.80000112.3V16 T46 I111 A112 K113 N117 K118V16-C115 HydrophobicContact CG1-CB 3.83Å; V16-C115 HydrophobicContact CG2-CB 4.16Å; T46-C115 HydrophobicContact CG2-CB 4.12Å; I111-C115 PolarHBondContact O-N 3.37Å; I111-C115 PolarHBondContact O-SG 3.24Å; A112-C115 PolarHBondContact O-N 3.47Å; K113-C115 VanDerWaalsContact C-N 3.31Å; K113-C115 PolarHBondContact O-N 2.95Å; C115-N117 VanDerWaalsContact C-N 3.29Å; C115-N117 PolarHBondContact O-N 3.31Å; C115-K118 PolarHBondContact O-N 2.85Å; C115-K118 VanDerWaalsContact O-N 3.07Å
116L89.5Confident90.3Very high86 Ų8655.3 Ų55.345%0.4527%0.272SS..Hα-helixtrans-64.8-33.4-179.5-70.4168.9000112.3K15 V16 A112 K113 K118K15-L116 HydrophobicContact CB-CD2 4.21Å; V16-L116 HydrophobicContact CG2-CD2 4.12Å; V16-L116 HydrophobicContact CG2-CG 4.01Å; A112-L116 WeakPolarHBondContact O-CB 3.44Å; A112-L116 VanDerWaalsContact O-CG 3.23Å; A112-L116 WeakPolarHBondContact O-CG 3.31Å; A112-L116 PolarHBondContact O-N 3.32Å; K113-L116 PolarHBondContact O-N 3.48Å; L116-K118 VanDerWaalsContact C-N 3.27Å; L116-K118 PolarHBondContact O-N 2.67Å
117N88.7Confident90.1Very high110 Ų11055.5 Ų55.559%0.58827%0.269SS*.THydrogen-bonded Turntrans-81.1-1.2175.7-67.8-9.2000113.6K113 C115 L119K113-N117 VanDerWaalsContact O-CB 3.31Å; K113-N117 WeakPolarHBondContact O-CB 3.37Å; K113-N117 VanDerWaalsContact O-CG 3.24Å; K113-N117 PolarHBondContact O-N 3.23Å; C115-N117 VanDerWaalsContact C-N 3.29Å; C115-N117 PolarHBondContact O-N 3.31Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 HydrophobicContact CB-CD1 4.34Å; N117-L119 HydrophobicContact CB-CD2 4.31Å; N117-L119 HydrophobicContact CB-CG 3.91Å; N117-L119 PolarHBondContact O-N 3.24Å
118K84.7Confident90Very high193 Ų19356.2 Ų56.284%0.83927%0.273SS*.THydrogen-bonded Turntrans51.539.9-178-58.2-171177.5-172.40114.2C114 C115 L116C114-K118 PolarHBondContact O-N 3.02Å; C115-K118 PolarHBondContact O-N 2.85Å; C115-K118 VanDerWaalsContact O-N 3.07Å; L116-K118 VanDerWaalsContact C-N 3.27Å; L116-K118 PolarHBondContact O-N 2.67Å
119L81.7Confident89.7Confident70 Ų7060.7 Ų60.737%0.36630%0.297SS..  trans-75131.6178.4-57.7178.7000110.7V83 C114 N117V83-L119 HydrophobicContact CG1-CB 3.48Å; V83-L119 VanDerWaalsContact CG1-CB 3.48Å; V83-L119 HydrophobicContact CG1-CD1 3.78Å; V83-L119 HydrophobicContact CG1-CG 4.28Å; C114-L119 PolarHBondContact O-N 2.65Å; C114-L119 VanDerWaalsContact O-N 3.17Å; N117-L119 VanDerWaalsContact C-N 3.28Å; N117-L119 HydrophobicContact CB-CD1 4.34Å; N117-L119 HydrophobicContact CB-CD2 4.31Å; N117-L119 HydrophobicContact CB-CG 3.91Å; N117-L119 PolarHBondContact O-N 3.24Å
120S87.9Confident89.5Confident87 Ų8763.4 Ų63.461%0.60833%0.325SS*.  trans-68.2135.8175.7177.60000111.1D122S120-D122 PolarHBondContact OG-N 3.47Å
121S88.9Confident89Confident3 Ų365.6 Ų65.62%0.02135%0.348CS..  trans-94.8-12177.544.10000114.1M49 E123 A124 V125M49-S121 PolarHBondContact N-OG 2.92Å; S121-E123 VanDerWaalsContact C-N 3.33Å; S121-E123 PolarHBondContact O-N 2.91Å; S121-A124 PolarHBondContact O-N 3.03Å; S121-V125 WeakPolarHBondContact O-CG2 2.85Å; S121-V125 PolarHBondContact O-N 3.46Å
122D88.3Confident88.4Confident87 Ų8769.5 Ų69.547%0.46537%0.366SS..Hα-helixtrans-78.8-19-152.5-49.6-15.3000113.2S120 R126S120-D122 PolarHBondContact OG-N 3.47Å; D122-R126 WeakPolarHBondContact O-CG 3.45Å; D122-R126 PolarHBondContact O-NE 2.9Å
123E89.1Confident87.6Confident107 Ų10777.7 Ų77.750%0.540%0.401SS..Hα-helixtrans-77.9-46.2165.9-164-168.8142.500111.5S121 V125 R126 R127S121-E123 VanDerWaalsContact C-N 3.33Å; S121-E123 PolarHBondContact O-N 2.91Å; E123-V125 PolarHBondContact O-N 2.88Å; E123-R126 PolarHBondContact O-N 3.47Å; E123-R127 WeakPolarHBondContact O-CG 3.46Å; E123-R127 PolarHBondContact O-N 3.02Å; E123-R127 IonicContact OE1-CZ 2.74Å; E123-R127 VanDerWaalsContact OE1-CZ 3.22Å; E123-R127 IonicContact OE1-NE 3.99Å; E123-R127 PolarHBondContact OE1-NE 3.25Å; E123-R127 IonicContact OE1-NH2 3.91Å; E123-R127 PolarHBondContact OE1-NH2 3.37Å
124A89.3Confident86.2Confident9 Ų974.4 Ų74.47%0.07439%0.389CS..Hα-helixtrans-63.2-39.7-179.600000112.6V79 L82 V83 S121 R127 V128V79-A124 HydrophobicContact CG1-CB 4.04Å; L82-A124 HydrophobicContact CB-CB 3.7Å; L82-A124 HydrophobicContact CD1-CB 3.86Å; L82-A124 HydrophobicContact CG-CB 4.45Å; V83-A124 HydrophobicContact CG2-CB 3.57Å; S121-A124 PolarHBondContact O-N 3.03Å; A124-R127 PolarHBondContact O-N 3.03Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 3.35Å
125V91Very high84.4Confident9 Ų979.6 Ų79.66%0.05542%0.416CS..Hα-helixtrans-59.8-46.8174169.80000110.8L52 V79 S121 E123 R127 V128 L129L52-V125 HydrophobicContact CB-CG1 4.19Å; L52-V125 HydrophobicContact CB-CG2 4.15Å; L52-V125 HydrophobicContact CD1-CG1 4.33Å; L52-V125 HydrophobicContact CD1-CG2 4.46Å; V79-V125 HydrophobicContact CG1-CG2 4.17Å; V79-V125 HydrophobicContact CG2-CG2 4.17Å; S121-V125 WeakPolarHBondContact O-CG2 2.85Å; S121-V125 PolarHBondContact O-N 3.46Å; E123-V125 PolarHBondContact O-N 2.88Å; V125-R127 PolarHBondContact O-N 2.97Å; V125-V128 PolarHBondContact O-N 2.8Å; V125-L129 HydrophobicContact CG1-CD1 3.83Å; V125-L129 HydrophobicContact CG1-CG 4.44Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 2.87Å
126R91.1Very high82.9Confident165 Ų16583.4 Ų83.462%0.62344%0.435SS*.Hα-helixtrans-62.9-41.4177.4-75.4-179.7-69.5145.7-0.3112.4D122 E123 A130D122-R126 WeakPolarHBondContact O-CG 3.45Å; D122-R126 PolarHBondContact O-NE 2.9Å; E123-R126 PolarHBondContact O-N 3.47Å; R126-A130 VanDerWaalsContact O-CB 3.28Å; R126-A130 WeakPolarHBondContact O-CB 3.36Å; R126-A130 PolarHBondContact O-N 2.89Å
127R88.9Confident80.6Confident95 Ų9589 Ų8936%0.35846%0.456SS..Hα-helixtrans-60.8-47.2176-73.4171.9174.1-97.18.3112.5L82 E123 A124 V125 A130 G131 E132L82-R127 HydrophobicContact CD1-CB 3.87Å; E123-R127 WeakPolarHBondContact O-CG 3.46Å; E123-R127 PolarHBondContact O-N 3.02Å; E123-R127 IonicContact OE1-CZ 2.74Å; E123-R127 VanDerWaalsContact OE1-CZ 3.22Å; E123-R127 IonicContact OE1-NE 3.99Å; E123-R127 PolarHBondContact OE1-NE 3.25Å; E123-R127 IonicContact OE1-NH2 3.91Å; E123-R127 PolarHBondContact OE1-NH2 3.37Å; A124-R127 PolarHBondContact O-N 3.03Å; V125-R127 PolarHBondContact O-N 2.97Å; R127-A130 CarbonylContact O-C 3.58Å; R127-A130 PolarHBondContact O-N 3.14Å; R127-G131 PolarHBondContact O-N 3.46Å; R127-E132 HydrophobicContact CB-CB 4.14Å; R127-E132 VanDerWaalsContact CB-OE2 3.32Å; R127-E132 WeakPolarHBondContact CB-OE2 3.29Å; R127-E132 VanDerWaalsContact CD-OE2 3.26Å; R127-E132 WeakPolarHBondContact CD-OE2 3.16Å; R127-E132 WeakPolarHBondContact CG-OE2 3.45Å; R127-E132 IonicContact CZ-OE2 3.12Å; R127-E132 IonicContact NE-OE2 2.74Å; R127-E132 IonicContact NH1-OE1 3.22Å; R127-E132 PolarHBondContact NH1-OE1 3.03Å; R127-E132 IonicContact NH1-OE2 3.3Å; R127-E132 PolarHBondContact NH1-OE2 3.34Å; R127-E132 WeakPolarHBondContact O-CB 3.35Å; R127-E132 PolarHBondContact O-N 2.92Å
128V90.6Very high78.1Confident19 Ų1987.9 Ų87.912%0.11546%0.456CS..Hα-helixtrans-67.8-40.2179.5172.30000111.8L52 D78 V79 L82 A124 V125 A130 G131L52-V128 HydrophobicContact CD1-CG1 4.34Å; D78-V128 HydrophobicContact CB-CB 4.5Å; D78-V128 HydrophobicContact CB-CG1 4.03Å; D78-V128 HydrophobicContact CB-CG2 3.58Å; V79-V128 HydrophobicContact CG2-CB 3.92Å; V79-V128 HydrophobicContact CG2-CG1 4.29Å; V79-V128 HydrophobicContact CG2-CG2 3.68Å; L82-V128 HydrophobicContact CD1-CG2 3.77Å; A124-V128 WeakPolarHBondContact O-CG2 3.33Å; A124-V128 PolarHBondContact O-N 3.35Å; V125-V128 PolarHBondContact O-N 2.8Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 2.8Å; V128-G131 PolarHBondContact O-N 3.21Å
129L89.3Confident76Confident94 Ų9486 Ų8649%0.49245%0.448SS..Hα-helixtrans-67.3-29.8174-68.2174.4000112.7V125 G131V125-L129 HydrophobicContact CG1-CD1 3.83Å; V125-L129 HydrophobicContact CG1-CG 4.44Å; V125-L129 WeakPolarHBondContact O-CB 3.48Å; V125-L129 VanDerWaalsContact O-CG 3.3Å; V125-L129 WeakPolarHBondContact O-CG 3.46Å; V125-L129 PolarHBondContact O-N 2.87Å; L129-G131 PolarHBondContact O-N 3.4Å
130A89.2Confident73.7Confident89 Ų8986.4 Ų86.474%0.73647%0.47SS*.THydrogen-bonded Turntrans-76.3-3.517000000113.9R126 R127 V128R126-A130 VanDerWaalsContact O-CB 3.28Å; R126-A130 WeakPolarHBondContact O-CB 3.36Å; R126-A130 PolarHBondContact O-N 2.89Å; R127-A130 CarbonylContact O-C 3.58Å; R127-A130 PolarHBondContact O-N 3.14Å; V128-A130 VanDerWaalsContact C-N 3.3Å; V128-A130 PolarHBondContact O-N 2.8Å
131G83.4Confident71.2Confident49 Ų4986.7 Ų86.751%0.50547%0.471SS..THydrogen-bonded Turntrans91.613.6175.700000116.1R127 V128 L129 K133R127-G131 PolarHBondContact O-N 3.46Å; V128-G131 PolarHBondContact O-N 3.21Å; L129-G131 PolarHBondContact O-N 3.4Å; G131-K133 PolarHBondContact O-N 3.14Å
132E80.2Confident68.5Low81 Ų8193 Ų9338%0.37951%0.51SS..  trans-68.890174.7-167.7-175.816000110.9R127R127-E132 HydrophobicContact CB-CB 4.14Å; R127-E132 VanDerWaalsContact CB-OE2 3.32Å; R127-E132 WeakPolarHBondContact CB-OE2 3.29Å; R127-E132 VanDerWaalsContact CD-OE2 3.26Å; R127-E132 WeakPolarHBondContact CD-OE2 3.16Å; R127-E132 WeakPolarHBondContact CG-OE2 3.45Å; R127-E132 IonicContact CZ-OE2 3.12Å; R127-E132 IonicContact NE-OE2 2.74Å; R127-E132 IonicContact NH1-OE1 3.22Å; R127-E132 PolarHBondContact NH1-OE1 3.03Å; R127-E132 IonicContact NH1-OE2 3.3Å; R127-E132 PolarHBondContact NH1-OE2 3.34Å; R127-E132 WeakPolarHBondContact O-CB 3.35Å; R127-E132 PolarHBondContact O-N 2.92Å
133K74.7Confident66Low172 Ų17294 Ų9475%0.74852%0.524SS*.  trans-79.9117.2178-67.5177.1-176.7174.30111G131 D135G131-K133 PolarHBondContact O-N 3.14Å; K133-D135 VanDerWaalsContact C-N 3.32Å; K133-D135 PolarHBondContact O-N 3.02Å
134V64Low63.1Low20 Ų20101 Ų10112%0.12155%0.546CS..  trans-84.872.9179.1-169.30000110.6M81 L82M81-V134 HydrophobicContact CE-CB 4.13Å; M81-V134 HydrophobicContact CE-CG1 3.9Å; M81-V134 WeakPolarHBondContact CE-O 3.4Å; L82-V134 HydrophobicContact CD1-CG2 4.43Å; L82-V134 HydrophobicContact CD2-CG2 3.47Å; L82-V134 VanDerWaalsContact CD2-CG2 3.47Å; L82-V134 HydrophobicContact CG-CG2 3.69Å
135D51.9Low60.5Low111 Ų111105.6 Ų105.659%0.59458%0.577SS**  trans-70.2137.1-178.5-143.5-39.9000111.9K133 K137 S138K133-D135 VanDerWaalsContact C-N 3.32Å; K133-D135 PolarHBondContact O-N 3.02Å; D135-K137 PolarHBondContact O-N 3.05Å; D135-S138 PolarHBondContact O-N 3.45Å; D135-S138 PolarHBondContact O-OG 3.02Å
136L57.6Low57.9Low96 Ų96114.7 Ų114.750%0.50362%0.619SS.*THydrogen-bonded Turntrans-70.84.6-168.2-71.8165.8000114.3M81 P87M81-L136 HydrophobicContact CE-CD2 3.49Å; M81-L136 VanDerWaalsContact CE-CD2 3.49Å; M81-L136 HydrophobicContact CE-CG 4Å; M81-L136 HydrophobicContact SD-CD2 4.32Å; P87-L136 HydrophobicContact CB-CD2 3.57Å
137K41.8Very low54.8Low204 Ų204110.2 Ų110.289%0.88762%0.624SS**THydrogen-bonded Turntrans-106.3-11.6-176.9-81.6-174.5170.5-175.50115.3D135D135-K137 PolarHBondContact O-N 3.05Å
138S37.5Very low52.3Low85 Ų85115.9 Ų115.959%0.59465%0.652SS**  trans-113.54.1-166.661.70000116.7D135 G140D135-S138 PolarHBondContact O-N 3.45Å; D135-S138 PolarHBondContact O-OG 3.02Å; S138-G140 PolarHBondContact O-N 2.87Å
139K39.2Very low49.5Very low154 Ų154123.2 Ų123.267%0.6768%0.684SS**  trans-77.669.9175.6-72.2-160.9173.2-175.70112.8
140G34.1Very low46.6Very low79 Ų79125.7 Ų125.781%0.81470%0.698SS**SBendtrans-114.20.2170.700000114.3S138S138-G140 PolarHBondContact O-N 2.87Å
141S36.1Very low43.9Very low92 Ų92132.3 Ų132.364%0.64370%0.704SS**SBendtrans-152.316117468.70000111.7
142T31.2Very low41.3Very low135 Ų135136.5 Ų136.583%0.82872%0.715SS**  trans63.6139.4-177.477.90000116.1
143S35.6Very low38.8Very low108 Ų108136.5 Ų136.576%0.75574%0.737SS**  cis-159149.5-24.654.10000108.8
144R29.2Very low36.6Very low255 Ų255140.5 Ų140.596%0.96275%0.747SS**  trans-160.195.8158.6-125.2174-175.1160.14.9111.7
145S34.1Very low34.9Very low105 Ų105146.1 Ų146.173%0.73477%0.772SS**  trans-106.9175.1167.553.40000109.8
146Q36.3Very low33.6Very low200 Ų200150.2 Ų150.294%0.93578%0.779SS**  trans68.2126.7-168.6-50.9-176.6-6.700114.3
147G26.6Very low32.2Very low71 Ų71154.6 Ų154.673%0.73280%0.797SS**  cis164.6146.7-9.600000112.4
148K36.4Very low32.4Very low215 Ų215149.9 Ų149.994%0.93579%0.787SS**  trans-169.6143.4157.7-112.9168.5-174.8179.30110.9
149E31.4Very low31.7Very low172 Ų172151.8 Ų151.880%0.80479%0.791SS**  trans-100.6170.7-174.8-61.7170.1101.600112.9
150N28.9Very low31.1Very low147 Ų147151.8 Ų151.879%0.78679%0.791SS**  trans65.2116.9159.1-59.8-38.4000118.3
151R31.1Very low30.8Very low228 Ų228155.6 Ų155.686%0.8679%0.787SS**  -163.5148.693.8-159.8159.5-172.1169.83.6114.2
152D29.7Very low30.5Very low136 Ų136158.4 Ų158.473%0.72779%0.79SS**  trans-1.4134.9166.2-55.6-61.5000120.5
153G26.8Very low30.6Very low81 Ų81159.1 Ų159.184%0.83578%0.782SS**  trans-96.2-168.5176.500000115.6
154R29.5Very low30.3Very low257 Ų257162.9 Ų162.997%0.9779%0.785SS**  trans-150.9151.1166.5-166.6164.2-179.9156.90.4111.3
155E26.8Very low30.3Very low137 Ų137159.5 Ų159.564%0.6478%0.777SS**  trans-84.6164.7-172.2-65.2-17296.500115.9
156R26.3Very low30.1Very low198 Ų198162 Ų16275%0.74778%0.78SS**  trans59.3109.7144.2-75.7166.3-145.7-111.22.3117.4
157Q26.6Very low29.7Very low187 Ų187159.4 Ų159.487%0.87477%0.768SS**  102.3153.673.6-90.4-107-29.900111.2
158P47Very low29.7Very low106 Ų106165.5 Ų165.569%0.68877%0.769SS**  trans-108.8171.4-151.640.8-35000114.4
159D23.1Very low29.5Very low124 Ų124160.5 Ų160.566%0.66376%0.761SS**  trans-152.1154.9141.4-139.4-2.6000114
160K26.9Very low29.2Very low154 Ų154156.1 Ų156.167%0.6776%0.763SS**  trans16.4151.2151.9-75.5170.4-156.777.30120.8
161E27.7Very low29.1Very low160 Ų160154.9 Ų154.975%0.74877%0.765SS**  cis162.9-169.8-10.8-119.8-163119.300105.2
162E29.8Very low28.9Very low150 Ų150154.7 Ų154.770%0.70177%0.765SS**  trans82.5139.9165.9-64.4-139.6170.800119.5
163K32Very low29Very low150 Ų150155.2 Ų155.265%0.65276%0.763SS**  cis-171.9150.8-24.7-122.1173.4-152.5160.40109.6
164K29.7Very low29.3Very low188 Ų188159.5 Ų159.582%0.81776%0.761SS**  trans170.2109.7132.9-92.1150.4-168.41710109.8
165K28.8Very low29.4Very low183 Ų183155.5 Ų155.580%0.79675%0.75SS**  85.6117.393.9-80-164.6174.4-166.70112
166I30.9Very low29.5Very low158 Ų158154.8 Ų154.881%0.8175%0.751SS**  cis80.4112.636-53.9165000114.4
167E27.1Very low29.9Very low145 Ų145150.8 Ų150.868%0.67875%0.753SS**  trans-152.6156.9133.9-77.5-136.7156.200106.4
168R27.7Very low30.1Very low200 Ų200149.1 Ų149.176%0.75575%0.75SS**  cis-164.2164.1-9.6-112.3-173168119.3-3.4104.7
169S32.1Very low29.9Very low109 Ų109153 Ų15376%0.76276%0.759SS**  cis-170.9163.5-16.439.80000106.2
170G25Very low30.8Very low81 Ų81150.5 Ų150.584%0.83576%0.763SS**  cis-173.4-164.110.800000110.9
171S26.7Very low31.3Very low121 Ų121150.8 Ų150.885%0.84676%0.764SS**  trans-107.7154.6-167.7-176.40000114.5
172R27.6Very low31.8Very low224 Ų224151.7 Ų151.785%0.84577%0.769SS**  trans-153101.3157.4-139.9172.5-170.6160.54.7114.3
173E31.1Very low32.6Very low146 Ų146153.3 Ų153.368%0.68278%0.776SS**  trans51.9117.4137.6-60.4175.3123.200122.8
174H32.6Very low33Very low172 Ų172151.7 Ų151.780%0.79677%0.771SS**  69.5113.5129.9-84-60.6000124.3
175K31.7Very low33.7Very low172 Ų172145.6 Ų145.675%0.74875%0.752SS**  115.4125.5105.1-170.3172.6-176.8-179.40120
176D30.3Very low34.5Very low122 Ų122146.6 Ų146.665%0.65275%0.751SS**  trans34.1133.4153.7-59.7-37.8000124.1
177S33.9Very low35.2Very low115 Ų115145.8 Ų145.880%0.80474%0.744SS**  trans61142.2145.3-59.10000118.4
178N30.1Very low36.2Very low151 Ų151147.6 Ų147.681%0.80774%0.744SS**  cis-155.3-179.236.5-164.85.5000111.6
179Q44Very low37.3Very low187 Ų187142.7 Ų142.787%0.87473%0.733SS**  trans-67.5152.3177.4-65.8179.2-29.500114.4
180G41.2Very low38.2Very low73 Ų73144.7 Ų144.775%0.75373%0.728SS**  trans12792.115000000116.9
181K37.1Very low39.3Very low159 Ų159146.7 Ų146.769%0.69172%0.716SS**  trans-177.977.2154.5-109.1170.5167.1-140.40111.9E184K181-E184 WeakPolarHBondContact CD-OE2 3.15Å; K181-E184 WeakPolarHBondContact CE-OE2 3.43Å; K181-E184 VanDerWaalsContact NZ-CD 3.3Å; K181-E184 IonicContact NZ-OE1 2.77Å; K181-E184 PolarHBondContact NZ-OE1 3.43Å; K181-E184 VanDerWaalsContact NZ-OE1 3.14Å; K181-E184 IonicContact NZ-OE2 3.61Å; K181-E184 PolarHBondContact NZ-OE2 3.25Å
182E39.3Very low40.6Very low180 Ų180146.4 Ų146.484%0.84171%0.705SS**  trans-99.417.3-175-147.3175.4-148.500114.8
183Q44.9Very low41.9Very low183 Ų183142.3 Ų142.386%0.85570%0.695SS**SBendtrans-120.2-7.8179.1-72.6-172.8-20.900114.9
184E40.6Very low43.1Very low117 Ų117144.1 Ų144.155%0.54770%0.696SS.*SBendtrans-92.3-24.7-173.8-151.8166.6-162.200112.9K181K181-E184 WeakPolarHBondContact CD-OE2 3.15Å; K181-E184 WeakPolarHBondContact CE-OE2 3.43Å; K181-E184 VanDerWaalsContact NZ-CD 3.3Å; K181-E184 IonicContact NZ-OE1 2.77Å; K181-E184 PolarHBondContact NZ-OE1 3.43Å; K181-E184 VanDerWaalsContact NZ-OE1 3.14Å; K181-E184 IonicContact NZ-OE2 3.61Å; K181-E184 PolarHBondContact NZ-OE2 3.25Å
185S45.4Very low44.2Very low60 Ų60140.6 Ų140.642%0.4268%0.682SS.*Hα-helixtrans-64.7-46.5179.447.30000113.3Q187 R188 D189S185-Q187 PolarHBondContact O-N 2.7Å; S185-R188 PolarHBondContact O-N 2.64Å; S185-D189 PolarHBondContact O-N 3.23Å
186R45.3Very low45.7Very low204 Ų204138.4 Ų138.477%0.7768%0.675SS**Hα-helixtrans-62.8-10.1-175.9-70.6-174.6175.3-178.80.7115.5
187Q45.5Very low46.8Very low141 Ų141137.5 Ų137.566%0.65967%0.667SS**Hα-helixtrans-94.8-33.3175.2-165.4159.1-11.600111.7S185 K190S185-Q187 PolarHBondContact O-N 2.7Å; Q187-K190 PolarHBondContact O-N 2.86Å
188R47.8Very low48.1Very low182 Ų182140.8 Ų140.869%0.68766%0.661SS**Hα-helixtrans-72.5-43.1-179.3-141.5176.6-167.7-167.30.7112.7S185 K190 E191 D192S185-R188 PolarHBondContact O-N 2.64Å; R188-K190 PolarHBondContact O-N 3.5Å; R188-E191 PolarHBondContact O-N 3.29Å; R188-D192 PolarHBondContact O-N 3.13Å
189D51.5Low49.9Very low98 Ų98137 Ų13752%0.52464%0.644SS.*Hα-helixtrans-58.7-21.6177-56.1-26.2000112.8S185 H193S185-D189 PolarHBondContact O-N 3.23Å; D189-H193 WeakPolarHBondContact O-CB 3.41Å; D189-H193 PolarHBondContact O-CD2 3Å
190K50.1Low50.9Low150 Ų150133.8 Ų133.865%0.65263%0.629SS**Hα-helixtrans-86.1-13.5176.5-78.9-176.6173.3178.90114.5Q187 R188 R194Q187-K190 PolarHBondContact O-N 2.86Å; R188-K190 PolarHBondContact O-N 3.5Å; K190-R194 WeakPolarHBondContact O-CD 3.37Å; K190-R194 VanDerWaalsContact O-CG 3.32Å; K190-R194 WeakPolarHBondContact O-CG 3.47Å
191E49.6Very low52Low124 Ų124138.1 Ų138.158%0.57962%0.623SS**Hα-helixtrans-92.3-47.6175.3-66.6-175.9146.200110R188 H193 R194 D195R188-E191 PolarHBondContact O-N 3.29Å; E191-H193 VanDerWaalsContact C-N 3.32Å; E191-H193 PolarHBondContact O-N 3.27Å; E191-R194 WeakPolarHBondContact O-CB 3.25Å; E191-R194 PolarHBondContact O-N 3.19Å; E191-D195 PolarHBondContact O-N 3.15Å
192D52.3Low53.4Low115 Ų115136 Ų13662%0.61562%0.615SS**Hα-helixtrans-56.5-42.3174.4-82.3-53.2000112.4R188 R194 D195 H196R188-D192 PolarHBondContact O-N 3.13Å; D192-R194 VanDerWaalsContact C-N 3.28Å; D192-R194 PolarHBondContact O-N 3.19Å; D192-D195 PolarHBondContact O-N 3.12Å; D192-H196 WeakPolarHBondContact O-CB 3.46Å; D192-H196 PolarHBondContact O-N 3.32Å
193H55.9Low54.7Low138 Ų138133 Ų13364%0.63960%0.601SS**Hα-helixtrans-63.9-30.3175.1-97.2-61.9000113.8D189 E191 E197D189-H193 WeakPolarHBondContact O-CB 3.41Å; D189-H193 PolarHBondContact O-CD2 3Å; E191-H193 VanDerWaalsContact C-N 3.32Å; E191-H193 PolarHBondContact O-N 3.27Å; H193-E197 PolarHBondContact O-N 2.89Å; H193-E197 VanDerWaalsContact O-N 3.12Å
194R55.4Low55.7Low184 Ų184132.5 Ų132.569%0.69459%0.591SS**Hα-helixtrans-76.9-41.7179.4-81.2176.9166.6-176.7-5.3112K190 E191 D192 H196 E197 R198K190-R194 WeakPolarHBondContact O-CD 3.37Å; K190-R194 VanDerWaalsContact O-CG 3.32Å; K190-R194 WeakPolarHBondContact O-CG 3.47Å; E191-R194 WeakPolarHBondContact O-CB 3.25Å; E191-R194 PolarHBondContact O-N 3.19Å; D192-R194 VanDerWaalsContact C-N 3.28Å; D192-R194 PolarHBondContact O-N 3.19Å; R194-H196 VanDerWaalsContact C-N 3.34Å; R194-E197 PolarHBondContact O-N 3.18Å; R194-R198 VanDerWaalsContact O-CB 3.29Å; R194-R198 WeakPolarHBondContact O-CB 3.44Å; R194-R198 PolarHBondContact O-N 3.4Å
195D56.8Low57.1Low97 Ų97129.7 Ų129.752%0.51958%0.584SS.*Hα-helixtrans-72-29.6175.9-82.4-24.7000112.1E191 D192 R198 T199E191-D195 PolarHBondContact O-N 3.15Å; D192-D195 PolarHBondContact O-N 3.12Å; D195-R198 PolarHBondContact O-N 2.91Å; D195-T199 WeakPolarHBondContact O-CB 3.41Å; D195-T199 PolarHBondContact O-N 2.94Å; D195-T199 PolarHBondContact O-OG1 3.38Å
196H62.2Low58.1Low127 Ų127131.3 Ų131.359%0.58859%0.585SS**Hα-helixtrans-64.8-49169.6-167.954.5000112.1D192 R194 R198 T199 E200D192-H196 WeakPolarHBondContact O-CB 3.46Å; D192-H196 PolarHBondContact O-N 3.32Å; R194-H196 VanDerWaalsContact C-N 3.34Å; H196-R198 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 3.34Å; H196-T199 PolarHBondContact O-N 2.7Å; H196-E200 PolarHBondContact O-N 3.29Å
197E54.6Low59.1Low103 Ų103128.5 Ų128.548%0.48158%0.578SS.*Hα-helixtrans-56.1-41172.2-99.3-144.589.400112.5H193 R194 T199 R201H193-E197 PolarHBondContact O-N 2.89Å; H193-E197 VanDerWaalsContact O-N 3.12Å; R194-E197 PolarHBondContact O-N 3.18Å; E197-T199 VanDerWaalsContact C-N 3.34Å; E197-R201 WeakPolarHBondContact O-CB 3.3Å; E197-R201 VanDerWaalsContact O-CG 3.23Å; E197-R201 WeakPolarHBondContact O-CG 3.14Å; E197-R201 PolarHBondContact O-N 3.07Å; E197-R201 IonicContact OE1-CZ 2.83Å; E197-R201 VanDerWaalsContact OE1-CZ 3.3Å; E197-R201 IonicContact OE1-NE 3.74Å; E197-R201 PolarHBondContact OE1-NE 3.05Å; E197-R201 VanDerWaalsContact OE1-NE 3.12Å; E197-R201 IonicContact OE1-NH2 2.82Å; E197-R201 PolarHBondContact OE1-NH2 3.37Å; E197-R201 IonicContact OE2-NH2 3.86Å
198R60.7Low60.3Low183 Ų183126.6 Ų126.669%0.69157%0.573SS**Hα-helixtrans-68-35.7-178.9-166.6171.8-174.9-127.7-4112R194 D195 H196 H202R194-R198 VanDerWaalsContact O-CB 3.29Å; R194-R198 WeakPolarHBondContact O-CB 3.44Å; R194-R198 PolarHBondContact O-N 3.4Å; D195-R198 PolarHBondContact O-N 2.91Å; H196-R198 VanDerWaalsContact C-N 3.27Å; H196-R198 PolarHBondContact O-N 3.34Å; R198-H202 WeakPolarHBondContact O-CB 3.46Å; R198-H202 PolarHBondContact O-N 3.07Å
199T67.3Low61.3Low73 Ų73123 Ų12345%0.44856%0.564SS.*Hα-helixtrans-72.7-43.5176.4-53.20000111.5D195 H196 E197 R201 H202 H203D195-T199 WeakPolarHBondContact O-CB 3.41Å; D195-T199 PolarHBondContact O-N 2.94Å; D195-T199 PolarHBondContact O-OG1 3.38Å; H196-T199 PolarHBondContact O-N 2.7Å; E197-T199 VanDerWaalsContact C-N 3.34Å; T199-R201 PolarHBondContact O-N 3.07Å; T199-H202 PolarHBondContact O-N 2.81Å; T199-H203 PolarHBondContact O-N 3.44Å
200E64.7Low62Low118 Ų118124 Ų12455%0.55157%0.565SS**Hα-helixtrans-54.3-50.3171.4-106.5-76.5134.600111.3H196 H202 H203 R204H196-E200 PolarHBondContact O-N 3.29Å; E200-H202 VanDerWaalsContact C-N 3.32Å; E200-H202 PolarHBondContact O-N 2.99Å; E200-H203 PolarHBondContact O-N 3.4Å; E200-R204 WeakPolarHBondContact O-CB 3.44Å; E200-R204 PolarHBondContact O-N 3.48Å
201R64.7Low62.9Low165 Ų165120.4 Ų120.462%0.62355%0.553SS**Hα-helixtrans-63.4-35.3178.3-69.6171-172-13710.4112.6E197 T199 S205E197-R201 WeakPolarHBondContact O-CB 3.3Å; E197-R201 VanDerWaalsContact O-CG 3.23Å; E197-R201 WeakPolarHBondContact O-CG 3.14Å; E197-R201 PolarHBondContact O-N 3.07Å; E197-R201 IonicContact OE1-CZ 2.83Å; E197-R201 VanDerWaalsContact OE1-CZ 3.3Å; E197-R201 IonicContact OE1-NE 3.74Å; E197-R201 PolarHBondContact OE1-NE 3.05Å; E197-R201 VanDerWaalsContact OE1-NE 3.12Å; E197-R201 IonicContact OE1-NH2 2.82Å; E197-R201 PolarHBondContact OE1-NH2 3.37Å; E197-R201 IonicContact OE2-NH2 3.86Å; T199-R201 PolarHBondContact O-N 3.07Å; R201-S205 WeakPolarHBondContact O-CB 3.41Å; R201-S205 PolarHBondContact O-N 2.9Å
202H67.8Low63.8Low113 Ų113119.8 Ų119.852%0.52355%0.55SS.*Hα-helixtrans-65.4-53.3175.7-164.6-79.2000111.3R198 T199 E200 R204 S205 E206R198-H202 WeakPolarHBondContact O-CB 3.46Å; R198-H202 PolarHBondContact O-N 3.07Å; T199-H202 PolarHBondContact O-N 2.81Å; E200-H202 VanDerWaalsContact C-N 3.32Å; E200-H202 PolarHBondContact O-N 2.99Å; H202-R204 VanDerWaalsContact C-N 3.26Å; H202-R204 PolarHBondContact O-N 3.13Å; H202-S205 PolarHBondContact O-N 3.22Å; H202-S205 VanDerWaalsContact O-N 3.12Å; H202-E206 IonicContact CE1-OE1 2.76Å; H202-E206 PolarHBondContact CE1-OE1 3.36Å; H202-E206 IonicContact CE1-OE2 3.81Å; H202-E206 IonicContact ND1-OE1 3.98Å; H202-E206 IonicContact ND1-OE2 3.02Å; H202-E206 PolarHBondContact ND1-OE2 3.23Å; H202-E206 WeakPolarHBondContact O-CG 3.37Å; H202-E206 PolarHBondContact O-N 3.41Å
203H64.8Low64.7Low119 Ų119117.9 Ų117.955%0.55155%0.546SS*.Hα-helixtrans-62.7-31.9178.6-78.7-25.3000113.3T199 E200 E206 K207T199-H203 PolarHBondContact O-N 3.44Å; E200-H203 PolarHBondContact O-N 3.4Å; H203-E206 IonicContact CE1-OE2 3.76Å; H203-E206 IonicContact CG-OE2 3.17Å; H203-E206 IonicContact ND1-OE2 3.54Å; H203-E206 PolarHBondContact ND1-OE2 3.17Å; H203-K207 VanDerWaalsContact O-CB 3.3Å; H203-K207 WeakPolarHBondContact O-CB 3.18Å; H203-K207 PolarHBondContact O-N 2.86Å; H203-K207 VanDerWaalsContact O-N 3.11Å
204R66.1Low65.6Low171 Ų171117 Ų11765%0.64554%0.537SS*.Hα-helixtrans-66.7-47.1172.3-164.3168.2-176.1165.21.2111.5E200 H202 E206 K207 D208E200-R204 WeakPolarHBondContact O-CB 3.44Å; E200-R204 PolarHBondContact O-N 3.48Å; H202-R204 VanDerWaalsContact C-N 3.26Å; H202-R204 PolarHBondContact O-N 3.13Å; R204-E206 PolarHBondContact O-N 3.02Å; R204-K207 PolarHBondContact O-N 3.31Å; R204-K207 VanDerWaalsContact O-N 3.16Å; R204-D208 VanDerWaalsContact O-CG 3.25Å; R204-D208 PolarHBondContact O-N 2.8Å
205S70.4Confident66.3Low59 Ų59114 Ų11441%0.41353%0.531SS..Hα-helixtrans-63.5-36.5176.9-163.70000113.4R201 H202 K207 H209R201-S205 WeakPolarHBondContact O-CB 3.41Å; R201-S205 PolarHBondContact O-N 2.9Å; H202-S205 PolarHBondContact O-N 3.22Å; H202-S205 VanDerWaalsContact O-N 3.12Å; S205-K207 VanDerWaalsContact C-N 3.34Å; S205-H209 WeakPolarHBondContact O-CB 3.19Å; S205-H209 PolarHBondContact O-CD2 3.06Å; S205-H209 VanDerWaalsContact O-CD2 3.31Å; S205-H209 PolarHBondContact O-N 3.5Å; S205-H209 VanDerWaalsContact O-N 3.11Å
206E66.3Low66.9Low94 Ų94114.1 Ų114.144%0.43953%0.528SS..Hα-helixtrans-64.5-39.7173.5-74175.1123.200111.6H202 H203 R204 Q210H202-E206 IonicContact CE1-OE1 2.76Å; H202-E206 PolarHBondContact CE1-OE1 3.36Å; H202-E206 IonicContact CE1-OE2 3.81Å; H202-E206 IonicContact ND1-OE1 3.98Å; H202-E206 IonicContact ND1-OE2 3.02Å; H202-E206 PolarHBondContact ND1-OE2 3.23Å; H202-E206 WeakPolarHBondContact O-CG 3.37Å; H202-E206 PolarHBondContact O-N 3.41Å; H203-E206 IonicContact CE1-OE2 3.76Å; H203-E206 IonicContact CG-OE2 3.17Å; H203-E206 IonicContact ND1-OE2 3.54Å; H203-E206 PolarHBondContact ND1-OE2 3.17Å; R204-E206 PolarHBondContact O-N 3.02Å; E206-Q210 VanDerWaalsContact O-CB 3.29Å; E206-Q210 WeakPolarHBondContact O-CB 3.48Å; E206-Q210 PolarHBondContact O-N 3.14Å
207K67.4Low67.4Low144 Ų144114.6 Ų114.663%0.62653%0.531SS*.Hα-helixtrans-71.9-43.1-179.3-161174-171.2177.90111.9H203 R204 S205 Q210 D211H203-K207 VanDerWaalsContact O-CB 3.3Å; H203-K207 WeakPolarHBondContact O-CB 3.18Å; H203-K207 PolarHBondContact O-N 2.86Å; H203-K207 VanDerWaalsContact O-N 3.11Å; R204-K207 PolarHBondContact O-N 3.31Å; R204-K207 VanDerWaalsContact O-N 3.16Å; S205-K207 VanDerWaalsContact C-N 3.34Å; K207-Q210 PolarHBondContact O-N 3.41Å; K207-Q210 VanDerWaalsContact O-N 3.15Å; K207-D211 PolarHBondContact O-N 3.21Å
208D69.7Low68.3Low101 Ų101116.6 Ų116.654%0.5453%0.534SS..Hα-helixtrans-61-46175.7-66.2-21.7000110.5R204 Q210 D211 E212R204-D208 VanDerWaalsContact O-CG 3.25Å; R204-D208 PolarHBondContact O-N 2.8Å; D208-Q210 VanDerWaalsContact C-N 3.32Å; D208-Q210 PolarHBondContact O-N 3.36Å; D208-D211 PolarHBondContact O-N 3.16Å; D208-E212 VanDerWaalsContact O-CB 3.28Å; D208-E212 WeakPolarHBondContact O-CB 3.43Å; D208-E212 PolarHBondContact O-N 3.1Å
209H70.1Confident68.9Low107 Ų107113.4 Ų113.450%0.49553%0.527SS..Hα-helixtrans-65.4-30.1173.4-77.2-42.2000114.1S205 E212 S213S205-H209 WeakPolarHBondContact O-CB 3.19Å; S205-H209 PolarHBondContact O-CD2 3.06Å; S205-H209 VanDerWaalsContact O-CD2 3.31Å; S205-H209 PolarHBondContact O-N 3.5Å; S205-H209 VanDerWaalsContact O-N 3.11Å; H209-E212 IonicContact CE1-OE2 2.66Å; H209-E212 IonicContact ND1-OE2 2.66Å; H209-E212 PolarHBondContact ND1-OE2 3.29Å; H209-S213 VanDerWaalsContact O-CB 3.3Å; H209-S213 WeakPolarHBondContact O-CB 3.43Å; H209-S213 PolarHBondContact O-N 3.45Å; H209-S213 PolarHBondContact O-OG 3.27Å
210Q65.8Low69.2Low120 Ų120118.3 Ų118.356%0.56154%0.537SS*.Hα-helixtrans-73.7-36.8178.9-173.5168.3100.700112.3E206 K207 D208 R214E206-Q210 VanDerWaalsContact O-CB 3.29Å; E206-Q210 WeakPolarHBondContact O-CB 3.48Å; E206-Q210 PolarHBondContact O-N 3.14Å; K207-Q210 PolarHBondContact O-N 3.41Å; K207-Q210 VanDerWaalsContact O-N 3.15Å; D208-Q210 VanDerWaalsContact C-N 3.32Å; D208-Q210 PolarHBondContact O-N 3.36Å; Q210-R214 WeakPolarHBondContact O-CG 3.34Å; Q210-R214 PolarHBondContact O-N 2.92Å
211D69.3Low69.6Low73 Ų73117.1 Ų117.139%0.3954%0.535SS..Hα-helixtrans-78.7-34.2172-80.8-28.9000112.3K207 D208 S213 R214 E215K207-D211 PolarHBondContact O-N 3.21Å; D208-D211 PolarHBondContact O-N 3.16Å; D211-S213 VanDerWaalsContact C-N 3.3Å; D211-S213 PolarHBondContact O-N 2.91Å; D211-R214 WeakPolarHBondContact O-CB 3.42Å; D211-R214 PolarHBondContact O-N 2.94Å; D211-R214 VanDerWaalsContact O-N 3.09Å; D211-R214 WeakPolarHBondContact OD1-CD 3.31Å; D211-R214 IonicContact OD1-CZ 2.94Å; D211-R214 IonicContact OD1-NE 3.34Å; D211-R214 IonicContact OD1-NH1 3.68Å; D211-R214 PolarHBondContact OD1-NH1 3.42Å; D211-E215 WeakPolarHBondContact O-CG 3.43Å; D211-E215 PolarHBondContact O-N 3.1Å
212E66.8Low70Confident111 Ų111115.3 Ų115.352%0.51953%0.531SS..Hα-helixtrans-57.1-42.4168.8-177-179.4-148.700111.7D208 H209 R214 E215 Q216D208-E212 VanDerWaalsContact O-CB 3.28Å; D208-E212 WeakPolarHBondContact O-CB 3.43Å; D208-E212 PolarHBondContact O-N 3.1Å; H209-E212 IonicContact CE1-OE2 2.66Å; H209-E212 IonicContact ND1-OE2 2.66Å; H209-E212 PolarHBondContact ND1-OE2 3.29Å; E212-R214 VanDerWaalsContact C-N 3.35Å; E212-R214 PolarHBondContact O-N 3.3Å; E212-E215 PolarHBondContact O-N 2.89Å; E212-Q216 PolarHBondContact O-N 3.46Å
213S73.1Confident70.3Confident76 Ų76111.4 Ų111.453%0.53152%0.521SS..Hα-helixtrans-62.1-39.8174.2-63.60000112.5H209 D211 Q216 E217H209-S213 VanDerWaalsContact O-CB 3.3Å; H209-S213 WeakPolarHBondContact O-CB 3.43Å; H209-S213 PolarHBondContact O-N 3.45Å; H209-S213 PolarHBondContact O-OG 3.27Å; D211-S213 VanDerWaalsContact C-N 3.3Å; D211-S213 PolarHBondContact O-N 2.91Å; S213-Q216 PolarHBondContact O-N 3.14Å; S213-E217 PolarHBondContact O-N 3.27Å
214R72.9Confident70.6Confident119 Ų119113.7 Ų113.745%0.44953%0.525SS..Hα-helixtrans-70-36.7176.4-76.6164.9159.7174.20.3112.8Q210 D211 E212 Q216 E217 R218Q210-R214 WeakPolarHBondContact O-CG 3.34Å; Q210-R214 PolarHBondContact O-N 2.92Å; D211-R214 WeakPolarHBondContact O-CB 3.42Å; D211-R214 PolarHBondContact O-N 2.94Å; D211-R214 VanDerWaalsContact O-N 3.09Å; D211-R214 WeakPolarHBondContact OD1-CD 3.31Å; D211-R214 IonicContact OD1-CZ 2.94Å; D211-R214 IonicContact OD1-NE 3.34Å; D211-R214 IonicContact OD1-NH1 3.68Å; D211-R214 PolarHBondContact OD1-NH1 3.42Å; E212-R214 VanDerWaalsContact C-N 3.35Å; E212-R214 PolarHBondContact O-N 3.3Å; R214-Q216 VanDerWaalsContact C-N 3.34Å; R214-E217 PolarHBondContact O-N 2.7Å; R214-R218 WeakPolarHBondContact O-CB 3.44Å; R214-R218 WeakPolarHBondContact O-CD 3.43Å; R214-R218 WeakPolarHBondContact O-CG 3.38Å; R214-R218 PolarHBondContact O-N 3.45Å
215E71.3Confident71Confident120 Ų120110 Ų11056%0.56152%0.522SS*.Hα-helixtrans-63.3-44.5173.5-63.8-110.2111.400109.9D211 E212 E217 R218 E219D211-E215 WeakPolarHBondContact O-CG 3.43Å; D211-E215 PolarHBondContact O-N 3.1Å; E212-E215 PolarHBondContact O-N 2.89Å; E215-E217 PolarHBondContact O-N 3.1Å; E215-R218 WeakPolarHBondContact O-CB 3.46Å; E215-R218 PolarHBondContact O-N 3.33Å; E215-R218 IonicContact OE1-NH1 3.47Å; E215-E219 VanDerWaalsContact O-CG 3.32Å; E215-E219 WeakPolarHBondContact O-CG 3.25Å; E215-E219 PolarHBondContact O-N 3.47Å
216Q69.3Low71.2Confident101 Ų101115.3 Ų115.347%0.47253%0.533SS..Hα-helixtrans-66.9-32.7177.1-157-179114.400113.1E212 S213 R214 R220E212-Q216 PolarHBondContact O-N 3.46Å; S213-Q216 PolarHBondContact O-N 3.14Å; R214-Q216 VanDerWaalsContact C-N 3.34Å; Q216-R220 VanDerWaalsContact O-CG 3.27Å; Q216-R220 WeakPolarHBondContact O-CG 3.49Å; Q216-R220 PolarHBondContact O-N 3.03Å; Q216-R220 VanDerWaalsContact O-N 3.12Å
217E72.3Confident71.6Confident137 Ų137114.5 Ų114.564%0.6453%0.531SS*.Hα-helixtrans-66.2-46.2170.6-173.9172.8-139.600111.6S213 R214 E215 E219 R220 D221S213-E217 PolarHBondContact O-N 3.27Å; R214-E217 PolarHBondContact O-N 2.7Å; E215-E217 PolarHBondContact O-N 3.1Å; E217-E219 VanDerWaalsContact C-N 3.32Å; E217-E219 PolarHBondContact O-N 2.78Å; E217-R220 PolarHBondContact O-N 2.93Å; E217-D221 PolarHBondContact O-N 3.09Å
218R73.6Confident71.9Confident145 Ų145113.6 Ų113.655%0.54753%0.527SS..Hα-helixtrans-60.3-38.8175.1-70.7162.9177.6173.40.8112.3R214 E215 K222R214-R218 WeakPolarHBondContact O-CB 3.44Å; R214-R218 WeakPolarHBondContact O-CD 3.43Å; R214-R218 WeakPolarHBondContact O-CG 3.38Å; R214-R218 PolarHBondContact O-N 3.45Å; E215-R218 WeakPolarHBondContact O-CB 3.46Å; E215-R218 PolarHBondContact O-N 3.33Å; E215-R218 IonicContact OE1-NH1 3.47Å; R218-K222 VanDerWaalsContact O-CG 3.27Å; R218-K222 WeakPolarHBondContact O-CG 3.43Å; R218-K222 PolarHBondContact O-N 3.25Å
219E74.1Confident72Confident115 Ų115114.4 Ų114.454%0.53753%0.528SS..Hα-helixtrans-61.5-47173.4-75.8-80101.700111.9E215 E217 D221 K222 G223E215-E219 VanDerWaalsContact O-CG 3.32Å; E215-E219 WeakPolarHBondContact O-CG 3.25Å; E215-E219 PolarHBondContact O-N 3.47Å; E217-E219 VanDerWaalsContact C-N 3.32Å; E217-E219 PolarHBondContact O-N 2.78Å; E219-D221 VanDerWaalsContact C-N 3.34Å; E219-D221 PolarHBondContact O-N 3.26Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-K222 IonicContact OE1-NZ 3.06Å; E219-K222 PolarHBondContact OE1-NZ 2.89Å; E219-G223 PolarHBondContact O-N 3.27Å
220R72.6Confident72.3Confident176 Ų176114 Ų11466%0.66453%0.525SS*.Hα-helixtrans-61.1-41.4178-71.6169.4-173.3-1694.7111.8Q216 E217 G223 R224Q216-R220 VanDerWaalsContact O-CG 3.27Å; Q216-R220 WeakPolarHBondContact O-CG 3.49Å; Q216-R220 PolarHBondContact O-N 3.03Å; Q216-R220 VanDerWaalsContact O-N 3.12Å; E217-R220 PolarHBondContact O-N 2.93Å; R220-G223 PolarHBondContact O-N 3.32Å; R220-R224 WeakPolarHBondContact O-CB 3.39Å; R220-R224 PolarHBondContact O-N 2.92Å
221D72.9Confident72.7Confident93 Ų93111.9 Ų111.950%0.49752%0.517SS..Hα-helixtrans-72.2-36.6178.7-119.111.3000112.6E217 E219 G223 R224 V225E217-D221 PolarHBondContact O-N 3.09Å; E219-D221 VanDerWaalsContact C-N 3.34Å; E219-D221 PolarHBondContact O-N 3.26Å; D221-G223 VanDerWaalsContact C-N 3.31Å; D221-G223 PolarHBondContact O-N 3.35Å; D221-R224 PolarHBondContact O-N 3.1Å; D221-V225 WeakPolarHBondContact O-CG2 3.38Å; D221-V225 PolarHBondContact O-N 3.13Å
222K73.1Confident72.9Confident127 Ų127116.6 Ų116.655%0.55253%0.529SS*.Hα-helixtrans-56.5-45168.1-71.7171-156.7164.40111.3R218 E219 V225 R226R218-K222 VanDerWaalsContact O-CG 3.27Å; R218-K222 WeakPolarHBondContact O-CG 3.43Å; R218-K222 PolarHBondContact O-N 3.25Å; E219-K222 PolarHBondContact O-N 2.93Å; E219-K222 IonicContact OE1-NZ 3.06Å; E219-K222 PolarHBondContact OE1-NZ 2.89Å; K222-V225 PolarHBondContact O-N 3.24Å; K222-R226 WeakPolarHBondContact O-CB 3.48Å; K222-R226 PolarHBondContact O-N 3.46Å
223G73.8Confident73.2Confident31 Ų31114.7 Ų114.732%0.3252%0.523SS..Hα-helixtrans-58.9-49175.400000112E219 R220 D221 V225 R226 D227E219-G223 PolarHBondContact O-N 3.27Å; R220-G223 PolarHBondContact O-N 3.32Å; D221-G223 VanDerWaalsContact C-N 3.31Å; D221-G223 PolarHBondContact O-N 3.35Å; G223-V225 VanDerWaalsContact C-N 3.3Å; G223-V225 PolarHBondContact O-N 3.22Å; G223-R226 WeakPolarHBondContact O-CB 3.44Å; G223-R226 PolarHBondContact O-N 3.44Å; G223-R226 VanDerWaalsContact O-N 3.07Å; G223-D227 PolarHBondContact O-N 2.83Å
224R72.8Confident73.3Confident168 Ų168118.8 Ų118.863%0.63453%0.527SS*.Hα-helixtrans-62.8-31.4179.5-162.2179.9-169.6-168.16.4113.8R220 D221 K228R220-R224 WeakPolarHBondContact O-CB 3.39Å; R220-R224 PolarHBondContact O-N 2.92Å; D221-R224 PolarHBondContact O-N 3.1Å; R224-K228 WeakPolarHBondContact O-CG 3.41Å; R224-K228 PolarHBondContact O-N 2.88Å
225V74.6Confident73.3Confident93 Ų93117.6 Ų117.656%0.56453%0.529SS*.Hα-helixtrans-70.9-46.2170.51710000110.8D221 K222 G223 D227 K228 E229D221-V225 WeakPolarHBondContact O-CG2 3.38Å; D221-V225 PolarHBondContact O-N 3.13Å; K222-V225 PolarHBondContact O-N 3.24Å; G223-V225 VanDerWaalsContact C-N 3.3Å; G223-V225 PolarHBondContact O-N 3.22Å; V225-D227 VanDerWaalsContact C-N 3.33Å; V225-D227 PolarHBondContact O-N 2.87Å; V225-K228 WeakPolarHBondContact O-CB 3.29Å; V225-K228 PolarHBondContact O-N 2.9Å; V225-E229 PolarHBondContact O-N 3.34Å
226R74.8Confident73.5Confident171 Ų171119.4 Ų119.465%0.64553%0.531SS*.Hα-helixtrans-63.1-35.4-178.7-166.5178-174-173.62.8113K222 G223 E229 K230K222-R226 WeakPolarHBondContact O-CB 3.48Å; K222-R226 PolarHBondContact O-N 3.46Å; G223-R226 WeakPolarHBondContact O-CB 3.44Å; G223-R226 PolarHBondContact O-N 3.44Å; G223-R226 VanDerWaalsContact O-N 3.07Å; R226-E229 PolarHBondContact O-N 2.88Å; R226-K230 WeakPolarHBondContact O-CG 3.3Å; R226-K230 PolarHBondContact O-N 2.88Å; R226-K230 VanDerWaalsContact O-N 3.13Å
227D73.4Confident73.6Confident77 Ų77119 Ų11941%0.41253%0.532SS..Hα-helixtrans-75.3-37.7176.1-69.2-30.4000112.3G223 V225 E229 K230 D231G223-D227 PolarHBondContact O-N 2.83Å; V225-D227 VanDerWaalsContact C-N 3.33Å; V225-D227 PolarHBondContact O-N 2.87Å; D227-E229 PolarHBondContact O-N 3.23Å; D227-K230 PolarHBondContact O-N 2.78Å; D227-K230 WeakPolarHBondContact OD1-CD 3.39Å; D227-K230 WeakPolarHBondContact OD1-CE 3.4Å; D227-K230 IonicContact OD1-NZ 3.7Å; D227-K230 PolarHBondContact OD1-NZ 2.78Å; D227-D231 PolarHBondContact O-N 3.47Å
228K74.3Confident73.7Confident125 Ų125120.4 Ų120.454%0.54353%0.531SS..Hα-helixtrans-59.6-27.5168.5-82.3179.9174.7178.20113.4R224 V225 R232R224-K228 WeakPolarHBondContact O-CG 3.41Å; R224-K228 PolarHBondContact O-N 2.88Å; V225-K228 WeakPolarHBondContact O-CB 3.29Å; V225-K228 PolarHBondContact O-N 2.9Å; K228-R232 WeakPolarHBondContact O-CD 3.44Å; K228-R232 VanDerWaalsContact O-CG 3.29Å; K228-R232 WeakPolarHBondContact O-CG 3.48Å; K228-R232 PolarHBondContact O-N 3.02Å
229E72.3Confident73.7Confident118 Ų118117.5 Ų117.555%0.55153%0.526SS*.Hα-helixtrans-75.9-47.4175.3-166161-130.200111.3V225 R226 D227 D231 R232 D233V225-E229 PolarHBondContact O-N 3.34Å; R226-E229 PolarHBondContact O-N 2.88Å; D227-E229 PolarHBondContact O-N 3.23Å; E229-D231 VanDerWaalsContact C-N 3.3Å; E229-D231 PolarHBondContact O-N 3.16Å; E229-R232 PolarHBondContact O-N 3.18Å; E229-D233 PolarHBondContact O-N 3.43Å; E229-D233 VanDerWaalsContact O-N 3.12Å
230K75.4Confident73.7Confident98 Ų98116.8 Ų116.843%0.42652%0.522SS..Hα-helixtrans-54.8-42.7173.5-67.8171-166.4162.10112.9R226 D227 D233 R234R226-K230 WeakPolarHBondContact O-CG 3.3Å; R226-K230 PolarHBondContact O-N 2.88Å; R226-K230 VanDerWaalsContact O-N 3.13Å; D227-K230 PolarHBondContact O-N 2.78Å; D227-K230 WeakPolarHBondContact OD1-CD 3.39Å; D227-K230 WeakPolarHBondContact OD1-CE 3.4Å; D227-K230 IonicContact OD1-NZ 3.7Å; D227-K230 PolarHBondContact OD1-NZ 2.78Å; K230-D233 PolarHBondContact O-N 3.14Å; K230-R234 WeakPolarHBondContact O-CG 3.4Å; K230-R234 PolarHBondContact O-N 3.4Å
231D73.6Confident73.5Confident75 Ų75113.9 Ų113.940%0.40152%0.515SS..Hα-helixtrans-69.7-34.5-178.6-72.6-24.2000112.4D227 E229 D233 R234 D235D227-D231 PolarHBondContact O-N 3.47Å; E229-D231 VanDerWaalsContact C-N 3.3Å; E229-D231 PolarHBondContact O-N 3.16Å; D231-D233 PolarHBondContact O-N 3.27Å; D231-R234 WeakPolarHBondContact O-CB 3.44Å; D231-R234 PolarHBondContact O-N 3.3Å; D231-R234 WeakPolarHBondContact OD1-CD 3.07Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NE 2.79Å; D231-R234 IonicContact OD1-NH1 3.98Å; D231-R234 PolarHBondContact OD1-NH1 3.45Å; D231-D235 PolarHBondContact O-N 3.1Å
232R73.7Confident73.4Confident173 Ų173115.1 Ų115.165%0.65352%0.516SS*.Hα-helixtrans-65.3-37.3172.2-74.8167.9171.2172.3-4.7112.9K228 E229 R236K228-R232 WeakPolarHBondContact O-CD 3.44Å; K228-R232 VanDerWaalsContact O-CG 3.29Å; K228-R232 WeakPolarHBondContact O-CG 3.48Å; K228-R232 PolarHBondContact O-N 3.02Å; E229-R232 PolarHBondContact O-N 3.18Å; R232-R236 WeakPolarHBondContact O-CG 3.48Å; R232-R236 PolarHBondContact O-N 3.42Å
233D73.6Confident73.3Confident70 Ų70112.7 Ų112.737%0.37451%0.513SS..Hα-helixtrans-75.5-32.8176.8-74.1-27000112.1E229 K230 D231 R236 D237E229-D233 PolarHBondContact O-N 3.43Å; E229-D233 VanDerWaalsContact O-N 3.12Å; K230-D233 PolarHBondContact O-N 3.14Å; D231-D233 PolarHBondContact O-N 3.27Å; D233-R236 PolarHBondContact O-N 2.81Å; D233-R236 WeakPolarHBondContact OD1-CD 3.41Å; D233-R236 IonicContact OD1-CZ 3.71Å; D233-R236 IonicContact OD1-NE 2.7Å; D233-R236 IonicContact OD1-NH1 3.13Å; D233-R236 PolarHBondContact OD1-NH1 3.07Å; D233-D237 PolarHBondContact O-N 3.06Å
234R74.5Confident73.2Confident163 Ų163120 Ų12062%0.61553%0.53SS*.Hα-helixtrans-58.5-46.9167-75165.1168.6166.6-5.3112K230 D231 D237 R238K230-R234 WeakPolarHBondContact O-CG 3.4Å; K230-R234 PolarHBondContact O-N 3.4Å; D231-R234 WeakPolarHBondContact O-CB 3.44Å; D231-R234 PolarHBondContact O-N 3.3Å; D231-R234 WeakPolarHBondContact OD1-CD 3.07Å; D231-R234 IonicContact OD1-CZ 2.69Å; D231-R234 IonicContact OD1-NE 2.79Å; D231-R234 IonicContact OD1-NH1 3.98Å; D231-R234 PolarHBondContact OD1-NH1 3.45Å; R234-D237 PolarHBondContact O-N 3.36Å; R234-R238 WeakPolarHBondContact O-CB 3.47Å; R234-R238 PolarHBondContact O-N 2.82Å
235D73.2Confident72.9Confident94 Ų94116.6 Ų116.650%0.50352%0.522SS..Hα-helixtrans-64.6-41.6177.8-78.2-26.7000111.8D231 D237 R238 D239D231-D235 PolarHBondContact O-N 3.1Å; D235-D237 PolarHBondContact O-N 2.94Å; D235-R238 WeakPolarHBondContact O-CB 3.49Å; D235-R238 PolarHBondContact O-N 2.73Å; D235-D239 PolarHBondContact O-N 3.5Å
236R74.9Confident72.4Confident158 Ų158121.8 Ų121.860%0.59653%0.531SS*.Hα-helixtrans-57.3-46.1172.4-80.7168.1163.5166.3-4.4112.8R232 D233 R238 D239 K240R232-R236 WeakPolarHBondContact O-CG 3.48Å; R232-R236 PolarHBondContact O-N 3.42Å; D233-R236 PolarHBondContact O-N 2.81Å; D233-R236 WeakPolarHBondContact OD1-CD 3.41Å; D233-R236 IonicContact OD1-CZ 3.71Å; D233-R236 IonicContact OD1-NE 2.7Å; D233-R236 IonicContact OD1-NH1 3.13Å; D233-R236 PolarHBondContact OD1-NH1 3.07Å; R236-R238 VanDerWaalsContact C-N 3.32Å; R236-D239 PolarHBondContact O-N 3.38Å; R236-K240 WeakPolarHBondContact O-CG 3.42Å; R236-K240 PolarHBondContact O-N 3.31Å
237D73.2Confident71.8Confident91 Ų91117.5 Ų117.549%0.48752%0.521SS..Hα-helixtrans-70.7-31179.8-77.7-14.9000112D233 R234 D235 K240 Q241D233-D237 PolarHBondContact O-N 3.06Å; R234-D237 PolarHBondContact O-N 3.36Å; D235-D237 PolarHBondContact O-N 2.94Å; D237-K240 PolarHBondContact O-N 2.9Å; D237-K240 WeakPolarHBondContact OD1-CD 3.5Å; D237-K240 WeakPolarHBondContact OD1-CE 3.35Å; D237-K240 IonicContact OD1-NZ 2.8Å; D237-K240 PolarHBondContact OD1-NZ 3.01Å; D237-Q241 WeakPolarHBondContact O-CB 3.5Å; D237-Q241 PolarHBondContact O-N 3.28Å
238R74.5Confident71.4Confident167 Ų167116.8 Ų116.863%0.6352%0.522SS*.Hα-helixtrans-64.9-40.1172-157.2175.9-159.11676112.3R234 D235 R236 Q241 K242R234-R238 WeakPolarHBondContact O-CB 3.47Å; R234-R238 PolarHBondContact O-N 2.82Å; D235-R238 WeakPolarHBondContact O-CB 3.49Å; D235-R238 PolarHBondContact O-N 2.73Å; R236-R238 VanDerWaalsContact C-N 3.32Å; R238-Q241 PolarHBondContact O-N 3.26Å; R238-K242 PolarHBondContact O-N 2.83Å
239D72.4Confident70.8Confident84 Ų84117.8 Ų117.845%0.44953%0.529SS..Hα-helixtrans-75.4-34.5175-77.7-17.4000112.4D235 R236 Q241 K242 T243D235-D239 PolarHBondContact O-N 3.5Å; R236-D239 PolarHBondContact O-N 3.38Å; D239-Q241 PolarHBondContact O-N 2.86Å; D239-K242 PolarHBondContact O-N 2.74Å; D239-K242 IonicContact OD1-NZ 3.82Å; D239-K242 PolarHBondContact OD1-NZ 3.43Å; D239-T243 PolarHBondContact O-N 3.36Å; D239-T243 PolarHBondContact O-OG1 3.01Å; D239-T243 VanDerWaalsContact O-OG1 3.14Å
240K73.8Confident70Confident101 Ų101120.9 Ų120.944%0.43954%0.535SS..Hα-helixtrans-58.7-35.8167-71.9174.7-156.9158.80112R236 D237 T243 R244R236-K240 WeakPolarHBondContact O-CG 3.42Å; R236-K240 PolarHBondContact O-N 3.31Å; D237-K240 PolarHBondContact O-N 2.9Å; D237-K240 WeakPolarHBondContact OD1-CD 3.5Å; D237-K240 WeakPolarHBondContact OD1-CE 3.35Å; D237-K240 IonicContact OD1-NZ 2.8Å; D237-K240 PolarHBondContact OD1-NZ 3.01Å; K240-T243 WeakPolarHBondContact CA-OG1 2.97Å; K240-T243 PolarHBondContact O-OG1 3.45Å; K240-R244 WeakPolarHBondContact O-CD 3.48Å; K240-R244 VanDerWaalsContact O-CG 3.26Å; K240-R244 WeakPolarHBondContact O-CG 3.49Å; K240-R244 PolarHBondContact O-N 3.45Å; K240-R244 VanDerWaalsContact O-N 3.16Å
241Q69.7Low69.1Low114 Ų114121 Ų12153%0.53354%0.54SS..Hα-helixtrans-69.8-47.8175.7-174.6172.8-21.100111.2D237 R238 D239 T243 R244 E245D237-Q241 WeakPolarHBondContact O-CB 3.5Å; D237-Q241 PolarHBondContact O-N 3.28Å; R238-Q241 PolarHBondContact O-N 3.26Å; D239-Q241 PolarHBondContact O-N 2.86Å; Q241-T243 VanDerWaalsContact C-N 3.3Å; Q241-T243 PolarHBondContact O-N 3.23Å; Q241-R244 PolarHBondContact O-N 3.32Å; Q241-E245 WeakPolarHBondContact CG-OE1 3.32Å; Q241-E245 PolarHBondContact NE2-OE1 2.72Å; Q241-E245 WeakPolarHBondContact O-CG 3.43Å; Q241-E245 PolarHBondContact O-N 2.96Å
242K70.8Confident68.3Low119 Ų119126 Ų12652%0.51755%0.554SS.*Hα-helixtrans-56.6-40.4174.2-72.7179.8-164.4148.90113R238 D239 E245 R246R238-K242 PolarHBondContact O-N 2.83Å; D239-K242 PolarHBondContact O-N 2.74Å; D239-K242 IonicContact OD1-NZ 3.82Å; D239-K242 PolarHBondContact OD1-NZ 3.43Å; K242-E245 PolarHBondContact O-N 3Å; K242-R246 WeakPolarHBondContact O-CB 3.31Å; K242-R246 PolarHBondContact O-N 3.02Å
243T71.3Confident67.4Low77 Ų77119.4 Ų119.447%0.47254%0.54SS..Hα-helixtrans-65.9-44.7177.348.70000111.3D239 K240 Q241 E245 R246 D247D239-T243 PolarHBondContact O-N 3.36Å; D239-T243 PolarHBondContact O-OG1 3.01Å; D239-T243 VanDerWaalsContact O-OG1 3.14Å; K240-T243 WeakPolarHBondContact CA-OG1 2.97Å; K240-T243 PolarHBondContact O-OG1 3.45Å; Q241-T243 VanDerWaalsContact C-N 3.3Å; Q241-T243 PolarHBondContact O-N 3.23Å; T243-E245 VanDerWaalsContact C-N 3.35Å; T243-E245 PolarHBondContact O-N 3.12Å; T243-R246 WeakPolarHBondContact O-CB 3.18Å; T243-R246 PolarHBondContact O-N 3.37Å; T243-R246 VanDerWaalsContact O-N 3.13Å; T243-D247 PolarHBondContact O-N 2.89Å
244R70.4Confident66.5Low183 Ų183122.6 Ų122.669%0.69155%0.552SS**Hα-helixtrans-60.5-41.3175.5-74.4168.4174.8170.5-2.7112.6K240 Q241 S248K240-R244 WeakPolarHBondContact O-CD 3.48Å; K240-R244 VanDerWaalsContact O-CG 3.26Å; K240-R244 WeakPolarHBondContact O-CG 3.49Å; K240-R244 PolarHBondContact O-N 3.45Å; K240-R244 VanDerWaalsContact O-N 3.16Å; Q241-R244 PolarHBondContact O-N 3.32Å; R244-S248 VanDerWaalsContact O-CB 3.27Å; R244-S248 WeakPolarHBondContact O-CB 3.17Å; R244-S248 PolarHBondContact O-N 3.43Å
245E67.3Low65.5Low98 Ų98119.1 Ų119.146%0.45855%0.546SS..Hα-helixtrans-63.8-42.2174.1-73.2170.4-17000111.2Q241 K242 T243 S248 H249Q241-E245 WeakPolarHBondContact CG-OE1 3.32Å; Q241-E245 PolarHBondContact NE2-OE1 2.72Å; Q241-E245 WeakPolarHBondContact O-CG 3.43Å; Q241-E245 PolarHBondContact O-N 2.96Å; K242-E245 PolarHBondContact O-N 3Å; T243-E245 VanDerWaalsContact C-N 3.35Å; T243-E245 PolarHBondContact O-N 3.12Å; E245-S248 PolarHBondContact O-N 2.81Å; E245-H249 WeakPolarHBondContact O-CB 3.33Å; E245-H249 PolarHBondContact O-CD2 3.47Å; E245-H249 VanDerWaalsContact O-CD2 3.3Å; E245-H249 PolarHBondContact O-N 2.66Å
246R63.6Low64.6Low201 Ų201122.7 Ų122.776%0.75856%0.557SS**Hα-helixtrans-64.4-40.7178.5-162.7177-157.4-163.55.7113K242 T243 R250K242-R246 WeakPolarHBondContact O-CB 3.31Å; K242-R246 PolarHBondContact O-N 3.02Å; T243-R246 WeakPolarHBondContact O-CB 3.18Å; T243-R246 PolarHBondContact O-N 3.37Å; T243-R246 VanDerWaalsContact O-N 3.13Å; R246-R250 PolarHBondContact O-N 3.45Å
247D63Low63.6Low81 Ų81123.9 Ų123.943%0.43356%0.562SS.*Hα-helixtrans-74.2-38.6177.5-66.7-37.5000111.4T243 H249 R250 D251T243-D247 PolarHBondContact O-N 2.89Å; D247-H249 VanDerWaalsContact C-N 3.29Å; D247-H249 PolarHBondContact O-N 3.28Å; D247-R250 WeakPolarHBondContact O-CA 3.37Å; D247-R250 WeakPolarHBondContact O-CB 3.26Å; D247-R250 PolarHBondContact O-N 2.87Å; D247-D251 PolarHBondContact O-N 2.97Å
248S64.5Low62.6Low63 Ų63127.9 Ų127.944%0.44157%0.57SS.*Hα-helixtrans-60.1-36.6171.9-174.30000112.9R244 E245 R250 R252R244-S248 VanDerWaalsContact O-CB 3.27Å; R244-S248 WeakPolarHBondContact O-CB 3.17Å; R244-S248 PolarHBondContact O-N 3.43Å; E245-S248 PolarHBondContact O-N 2.81Å; S248-R250 VanDerWaalsContact C-N 3.26Å; S248-R250 PolarHBondContact O-N 3.22Å; S248-R252 PolarHBondContact O-N 3.39Å
249H60.6Low61.7Low146 Ų146124.3 Ų124.368%0.67656%0.563SS**Hα-helixtrans-68.9-21.9170.9-91.7-78.3000113.7E245 D247 G253E245-H249 WeakPolarHBondContact O-CB 3.33Å; E245-H249 PolarHBondContact O-CD2 3.47Å; E245-H249 VanDerWaalsContact O-CD2 3.3Å; E245-H249 PolarHBondContact O-N 2.66Å; D247-H249 VanDerWaalsContact C-N 3.29Å; D247-H249 PolarHBondContact O-N 3.28Å; H249-G253 PolarHBondContact O-N 3.13Å
250R56.8Low60.6Low182 Ų182127.4 Ų127.469%0.68757%0.573SS**Hα-helixtrans-79.8-44.3179.3-150.2174.2-170.1175.1-0.6111.4R246 D247 S248 G253 Q254R246-R250 PolarHBondContact O-N 3.45Å; D247-R250 WeakPolarHBondContact O-CA 3.37Å; D247-R250 WeakPolarHBondContact O-CB 3.26Å; D247-R250 PolarHBondContact O-N 2.87Å; S248-R250 VanDerWaalsContact C-N 3.26Å; S248-R250 PolarHBondContact O-N 3.22Å; R250-G253 WeakPolarHBondContact O-CA 3.27Å; R250-G253 PolarHBondContact O-N 2.89Å; R250-Q254 PolarHBondContact O-N 3.39Å
251D55.9Low59.5Low100 Ų100127.8 Ų127.854%0.53558%0.58SS.*Hα-helixtrans-65.7-45.3177.3-67.4-18.9000111.6D247 G253 Q254 D255D247-D251 PolarHBondContact O-N 2.97Å; D251-G253 PolarHBondContact O-N 2.66Å; D251-Q254 PolarHBondContact O-N 3.14Å; D251-D255 PolarHBondContact O-N 3.37Å; D251-D255 VanDerWaalsContact O-N 3.16Å
252R56.7Low58.6Low181 Ų181131.8 Ų131.868%0.68359%0.59SS**Hα-helixtrans-58.1-18.2170.1-91.7179.2165.5160.5-3.2113.9S248S248-R252 PolarHBondContact O-N 3.39Å
253G55Low57.6Low35 Ų35133.9 Ų133.936%0.36160%0.602SS.*Hα-helixtrans-85.9-17.1172.800000114.7H249 R250 D251 R257H249-G253 PolarHBondContact O-N 3.13Å; R250-G253 WeakPolarHBondContact O-CA 3.27Å; R250-G253 PolarHBondContact O-N 2.89Å; D251-G253 PolarHBondContact O-N 2.66Å; G253-R257 WeakPolarHBondContact O-CG 3.16Å
254Q53.9Low56.4Low136 Ų136138.5 Ų138.564%0.63662%0.615SS**Hα-helixtrans-87.9-45.4171.9-77.2-165.4-6.700112.3R250 D251 K256 R257 R258R250-Q254 PolarHBondContact O-N 3.39Å; D251-Q254 PolarHBondContact O-N 3.14Å; Q254-K256 VanDerWaalsContact C-N 3.34Å; Q254-K256 PolarHBondContact O-N 3.32Å; Q254-R257 WeakPolarHBondContact O-CA 3.45Å; Q254-R257 WeakPolarHBondContact O-CB 3.49Å; Q254-R257 PolarHBondContact O-N 3.12Å; Q254-R258 PolarHBondContact O-N 2.99Å; Q254-R258 VanDerWaalsContact O-N 3.09Å
255D53.9Low55Low90 Ų90138.9 Ų138.948%0.48162%0.624SS.*Hα-helixtrans-60.3-44.5-178.4-69.1-33.2000111.6D251 R257 R258 D259D251-D255 PolarHBondContact O-N 3.37Å; D251-D255 VanDerWaalsContact O-N 3.16Å; D255-R257 PolarHBondContact O-N 3.46Å; D255-R258 WeakPolarHBondContact O-CB 3.48Å; D255-R258 PolarHBondContact O-N 3.49Å; D255-D259 PolarHBondContact O-N 3.05Å
256K53.7Low53.9Low170 Ų170137.3 Ų137.374%0.73964%0.635SS**Hα-helixtrans-62.9-10.1174-74.6-167.7172.7-168.80115.4Q254Q254-K256 VanDerWaalsContact C-N 3.34Å; Q254-K256 PolarHBondContact O-N 3.32Å
257R54Low52.6Low183 Ų183134 Ų13469%0.69163%0.632SS**Hα-helixtrans-90.6-46.1168-66.9175.7178.8-121.5-0.8110.4G253 Q254 D255 D259 K260 D261G253-R257 WeakPolarHBondContact O-CG 3.16Å; Q254-R257 WeakPolarHBondContact O-CA 3.45Å; Q254-R257 WeakPolarHBondContact O-CB 3.49Å; Q254-R257 PolarHBondContact O-N 3.12Å; D255-R257 PolarHBondContact O-N 3.46Å; R257-D259 VanDerWaalsContact C-N 3.3Å; R257-D259 PolarHBondContact O-N 3.22Å; R257-K260 PolarHBondContact O-N 3.33Å; R257-K260 VanDerWaalsContact O-N 3.08Å; R257-D261 PolarHBondContact O-N 2.96Å
258R53.5Low51.5Low175 Ų175141.8 Ų141.866%0.6666%0.655SS**Hα-helixtrans-54.2-41.2176.9-104.6179.1169.9170.3-2.2113.9Q254 D255 R262Q254-R258 PolarHBondContact O-N 2.99Å; Q254-R258 VanDerWaalsContact O-N 3.09Å; D255-R258 WeakPolarHBondContact O-CB 3.48Å; D255-R258 PolarHBondContact O-N 3.49Å; R258-R262 WeakPolarHBondContact O-CG 3.3Å; R258-R262 PolarHBondContact O-N 2.95Å
259D54Low50Low92 Ų92143.5 Ų143.549%0.49267%0.667SS.*Hα-helixtrans-70.8-40.9177.4-63.8-31.2000111.5D255 R257 D261 R262 E263D255-D259 PolarHBondContact O-N 3.05Å; R257-D259 VanDerWaalsContact C-N 3.3Å; R257-D259 PolarHBondContact O-N 3.22Å; D259-D261 VanDerWaalsContact C-N 3.33Å; D259-D261 PolarHBondContact O-N 3.34Å; D259-R262 WeakPolarHBondContact O-CB 3.34Å; D259-R262 PolarHBondContact O-N 3.31Å; D259-R262 VanDerWaalsContact O-N 3.15Å; D259-E263 PolarHBondContact O-N 2.9Å; D259-E263 VanDerWaalsContact O-N 3.16Å
260K50.1Low48.7Very low148 Ų148145.4 Ų145.464%0.64367%0.673SS**Hα-helixtrans-71.6-24.9-178.8-167.3163.1-171.2167.50114R257R257-K260 PolarHBondContact O-N 3.33Å; R257-K260 VanDerWaalsContact O-N 3.08Å
261D51.7Low47.5Very low109 Ų109143.2 Ų143.258%0.58368%0.676SS**Hα-helixtrans-79.9-29171.4-65.9-34000111.4R257 D259 K264R257-D261 PolarHBondContact O-N 2.96Å; D259-D261 VanDerWaalsContact C-N 3.33Å; D259-D261 PolarHBondContact O-N 3.34Å; D261-K264 PolarHBondContact O-N 3.01Å
262R50.7Low46.2Very low199 Ų199143.7 Ų143.775%0.75169%0.685SS**Hα-helixtrans-70.5-37.3175.3-87.1177.2163.5166.8-6.1114.2R258 D259 K264R258-R262 WeakPolarHBondContact O-CG 3.3Å; R258-R262 PolarHBondContact O-N 2.95Å; D259-R262 WeakPolarHBondContact O-CB 3.34Å; D259-R262 PolarHBondContact O-N 3.31Å; D259-R262 VanDerWaalsContact O-N 3.15Å; R262-K264 PolarHBondContact O-N 3.26Å; R262-K264 VanDerWaalsContact O-N 3.14Å
263E48.5Very low44.9Very low163 Ų163141.4 Ų141.476%0.76269%0.686SS**THydrogen-bonded Turntrans-66.2-10.4175.4-68.8-179.5154.900113D259D259-E263 PolarHBondContact O-N 2.9Å; D259-E263 VanDerWaalsContact O-N 3.16Å
264K46Very low43.7Very low174 Ų174145.6 Ų145.676%0.75770%0.697SS**THydrogen-bonded Turntrans-101.1-9.6-166.8-140.1-179.7-177-172.70116.2D261 R262D261-K264 PolarHBondContact O-N 3.01Å; R262-K264 PolarHBondContact O-N 3.26Å; R262-K264 VanDerWaalsContact O-N 3.14Å
265E42.3Very low42.6Very low190 Ų190146.5 Ų146.589%0.88870%0.699SS**SBendtrans-94.3-1.5167.1-62.6-16313400112.4
266G43.5Very low41.4Very low65 Ų65149 Ų14967%0.6771%0.712SS**SBendtrans-84.8-9.6-166.700000117.7
267D37.1Very low40.2Very low131 Ų131146.7 Ų146.770%0.70171%0.712SS**  trans-147.4133.3173.8-153.4-24.7000114.1S269D267-S269 PolarHBondContact OD1-N 2.93Å
268R39Very low39Very low246 Ų246143.5 Ų143.593%0.92872%0.718SS**  trans-15368169.1-111.7-170.3177.1-171.50.4109.5
269S34.1Very low37.8Very low98 Ų98138.4 Ų138.469%0.68572%0.72SS**  trans-150.7142.5164.1-87.60000115.1D267D267-S269 PolarHBondContact OD1-N 2.93Å
270K32.4Very low36.6Very low186 Ų186142.9 Ų142.981%0.80974%0.738SS**  trans67.199.7160.4-72.3-173.6173.1-176.50120.2
271D31.2Very low35.7Very low137 Ų137147.4 Ų147.473%0.73375%0.751SS**  94.5130.1113.9-101.7-37.8000122.7
272C29.6Very low34.8Very low109 Ų109150 Ų15074%0.73676%0.759SS**  trans39.5109.9137.6-76.90000122.2
273N28.4Very low33.9Very low133 Ų133146.4 Ų146.471%0.71176%0.755SS**  121.8144.396.8-171.246.2000119.3
274E30.8Very low32.9Very low124 Ų124143.6 Ų143.658%0.57975%0.746SS**  trans69.4125.7156.3-96.2174.4129.300125.8
275K31Very low32.1Very low155 Ų155143.3 Ų143.367%0.67474%0.744SS**  trans71.6116.1139-79.6160.1177.21630122.4
276N28.2Very low31.5Very low142 Ų142138.2 Ų138.276%0.75974%0.735SS**  38.7142.6119.5-48.70.3000118.9
277T28.4Very low30.7Very low122 Ų122146.1 Ų146.175%0.74874%0.744SS**  -178.5139.465.6-54.40000112.7
278S27.7Very low30.5Very low115 Ų115144 Ų14480%0.80475%0.745SS**  trans37151.4153.674.90000125.7
279G28.8Very low30.5Very low68 Ų68138 Ų13870%0.70174%0.738SS**  trans129.683.8152.300000114.1
280E29.1Very low30.3Very low187 Ų187140.7 Ų140.787%0.87474%0.74SS**  69.3115.565.1-67-158.4133.600117.2
281R32.2Very low30.1Very low242 Ų242140.2 Ų140.291%0.91374%0.737SS**  trans166.1126.1156.8-95.9161.9-162.7-143.62.6107
282E31.1Very low31Very low163 Ų163139.2 Ų139.276%0.76274%0.739SS**  cis58.1135.332.7-59.2-143.3130.100114.4
283N32.1Very low31.6Very low124 Ų124138.7 Ų138.766%0.66373%0.734SS**  cis-163.3175.6-10-99.2-22.8000106.7
284D28.7Very low31.8Very low105 Ų105139.2 Ų139.256%0.56173%0.732SS**  cis-154.5-17611-154.82.7000112.5
285K29Very low31.8Very low168 Ų168141.9 Ų141.973%0.7374%0.741SS**  trans-1.7159.5144.8-74.6172.5-151.175.50121.5
286A28.8Very low31.9Very low83 Ų83139 Ų13969%0.68675%0.746SS**  cis-178.9173.2-12.900000114.4
287R26.9Very low32.1Very low231 Ų231136.5 Ų136.587%0.87275%0.746SS**  trans71.9125136.1-174.6178.2-172.3-160.84.6121.1
288A33.3Very low32.3Very low86 Ų86139.6 Ų139.671%0.71175%0.749SS**  trans-93.1161.2157.700000112.2
289P39.8Very low32.3Very low120 Ų120139.5 Ų139.578%0.77974%0.744SS**  -145.4-157.7117.938.6-21.3000114.5
290E29.1Very low32.7Very low155 Ų155142 Ų14272%0.72475%0.745SS**  trans-97.2166.8-158.3-57-172.584.200118.4
291K28.9Very low33.1Very low175 Ų175138.4 Ų138.476%0.76174%0.738SS**  trans11.5161140.6-63.4169.5-172.5147.30120.8
292P48.8Very low32.9Very low117 Ų117131.6 Ų131.676%0.7673%0.733SS**  cis-134.7-123.4-26.337-14.3000110
293P42.7Very low32.9Very low98 Ų98131.4 Ų131.464%0.63674%0.737SS**  cis-130.6-174.9-46.141.3-24.6000115.7
294Q33Very low33.3Very low143 Ų143131 Ų13167%0.66874%0.742SS**  trans66.8111.3157.4-66.1-164.878.700120.1
295K31Very low33.6Very low180 Ų180135.3 Ų135.378%0.78376%0.756SS**  96.414993.7-82.4-173.6-175.3157.10113.2
296A31.8Very low34.7Very low94 Ų94132.7 Ų132.778%0.77776%0.756SS**  cis-165.5180-15.800000106.8
297A32.8Very low34.7Very low91 Ų91134 Ų13475%0.75276%0.755SS**  cis-145.6-159.66.700000107.8
298K32.9Very low34.9Very low186 Ų186131.9 Ų131.981%0.80976%0.755SS**  cis-144.4-147.44.5-142.8164.9-178.7-179.20105.9
299T28.4Very low34.7Very low114 Ų114136.5 Ų136.570%0.69976%0.762SS**  cis-158122.12.6-7.50000105
300V35.9Very low34.7Very low119 Ų119135.6 Ų135.672%0.72176%0.756SS**  75.8126.399.7168.70000115.7
301P38.5Very low34.7Very low113 Ų113134.5 Ų134.573%0.73476%0.76SS**  cis-145.4-171.2-39.643.8-25000115.3
302A28.4Very low34.6Very low98 Ų98133 Ų13381%0.8176%0.761SS**  trans91.8103142.100000122.8
303D31.2Very low33.8Very low159 Ų159133.6 Ų133.685%0.8576%0.762SS**  trans-75.9-175.4157.7-88.3-69.7000112.5
304P39.8Very low33.2Very low117 Ų117133.4 Ų133.476%0.7677%0.768SS**  cis-149.7-16825.845.1-22.6000119.7
305K35.7Very low33.1Very low195 Ų195134.6 Ų134.685%0.84877%0.774SS**  trans-138.9-171.5164.5-56.8179.7175.6178.50107.9
306P51.1Low33Very low112 Ų112131.8 Ų131.873%0.72777%0.768SS**  cis-132.5-162.8-23.4215.9000113.6
307V30.1Very low33Very low111 Ų111135.1 Ų135.167%0.67377%0.767SS**  trans102.5125.8146.5-169.30000121.4
308E30Very low33Very low187 Ų187135.4 Ų135.487%0.87476%0.763SS**  trans67.1169.3153.4-74.1156.6-145.400125.4
309E28.5Very low32.9Very low182 Ų182133.3 Ų133.385%0.8576%0.761SS**  trans-92.5-169.8-165-37.5-177.8133.300113.2
310P41.1Very low33.1Very low102 Ų102133.3 Ų133.366%0.66277%0.766SS**  cis-139-162.6-4.933.3-8.4000115.5
311T28.1Very low33.4Very low132 Ų132134.1 Ų134.181%0.8177%0.773SS**  trans90.9151.6159.660.80000122.6
312D27.4Very low33.5Very low144 Ų144133.7 Ų133.777%0.7778%0.779SS**  trans-52.3171.1-176.5-63.1-90.8000118.3
313V31.1Very low33.4Very low129 Ų129140.7 Ų140.778%0.78279%0.785SS**  cis-151.1150.714-136.50000110.8
314A31.3Very low34Very low94 Ų94140.2 Ų140.278%0.77778%0.781SS**  trans54.2138.2156.300000118.9
315E30Very low33.8Very low167 Ų167140.4 Ų140.478%0.7878%0.782SS**  cis-164.6171.43.3-130.9-165.1-153.900107.1
316N28.6Very low34Very low122 Ų122142.2 Ų142.265%0.65278%0.784SS**  cis-158-173.91.2-158.9-26.2000108.6
317Q32.2Very low33.8Very low163 Ų163142.9 Ų142.976%0.76279%0.788SS**  trans75.7104162.6-57.6-159.913.400119.9
318S31.9Very low33.8Very low97 Ų97143.4 Ų143.468%0.67880%0.796SS**  trans75.9114.2143.179.80000117.7
319N31Very low33.8Very low142 Ų142139.3 Ų139.376%0.75979%0.788SS**  -171.9154.552.2-82.3-73.7000112.6
320S34.2Very low33.9Very low114 Ų114135.3 Ų135.380%0.79779%0.786SS**  trans59.1132.3161.9-61.60000120.3
321P40.6Very low33.6Very low136 Ų136140.1 Ų140.188%0.88380%0.797SS**  -139.4176118.338.2-26.5000114.3
322A42.2Very low33.6Very low104 Ų104137.2 Ų137.286%0.8679%0.793SS**  trans-105.5156.3-168.200000115.5
323R25.4Very low33.7Very low246 Ų246138.1 Ų138.193%0.92879%0.792SS**  trans-156.5148.8161-150.7172.5-174.7178.12.5113.3
324I43Very low33.5Very low149 Ų149141.6 Ų141.676%0.76479%0.791SS**  trans-102.5146.8175.1-58.5166.6000110
325P37.1Very low33.5Very low121 Ų121144.9 Ų144.979%0.78679%0.791SS**  trans-132.4145.914331.9-17.3000114.6
326R38.5Very low33.6Very low233 Ų233146.3 Ų146.388%0.87979%0.794SS**  trans-109.3148.8157.6-69179.5173.1176.9-2.1107.5
327P48.3Very low34.2Very low126 Ų126146.1 Ų146.182%0.81880%0.8SS**  -135.8-153.889.733.4-13.6000110.2
328S30.1Very low34.1Very low121 Ų121147.3 Ų147.385%0.84680%0.802SS**  cis-152.9-160.77.4-158.90000112.7
329S29.3Very low33.8Very low101 Ų101148.4 Ų148.471%0.70681%0.805SS**  trans-119.9142.1-170.7140.20000114.3
330A30.1Very low33.7Very low98 Ų98144.6 Ų144.681%0.8180%0.8SS**  trans-170.1138.9141.800000108.5
331K35.1Very low33.4Very low204 Ų204144.8 Ų144.889%0.88780%0.796SS**  cis82.472.35.1-148179.9-174.1-179.30118.5
332G27.6Very low32.9Very low70 Ų70145.4 Ų145.472%0.72279%0.792SS**  trans-139.7130.6150.400000108.5
333Q29.6Very low32.5Very low163 Ų163144.8 Ų144.876%0.76279%0.786SS**  cis92.5121.350-85.7-143.841.700113.7
334R28Very low32.8Very low202 Ų202139.8 Ų139.876%0.76278%0.778SS**  trans68.8154.6160.1-65.4175.4175.1-135.4-5.8115.3
335Q30Very low32.4Very low163 Ų163140.5 Ų140.576%0.76278%0.778SS**  cis-150.1150.58.7-136.6161.3-3.700112
336K33.3Very low32.1Very low197 Ų197140.2 Ų140.286%0.85778%0.779SS**  trans-82.8152.7151.7-100.5-176.4176.9-178.40107.6
337P40.5Very low31.7Very low119 Ų119136.7 Ų136.777%0.77378%0.778SS**  -141.7-155.256.241.8-20.8000112
338K29.9Very low31.1Very low187 Ų187135.8 Ų135.881%0.81378%0.775SS**  cis-150.9176.3-0.4-149.8-171.6176.2-176.70110.6
339V26.9Very low31.5Very low120 Ų120138.8 Ų138.873%0.72778%0.775SS**  trans-34.2149.2150.3175.50000113.6
340G27.4Very low31.6Very low63 Ų63137.3 Ų137.365%0.64978%0.776SS**  cis149.5-1563.100000111.1
341T28Very low31.7Very low117 Ų117141.4 Ų141.472%0.71878%0.784SS**  trans73.1104.6168.8-47.50000114.2
342N29.8Very low31.4Very low150 Ų150135 Ų13580%0.80278%0.777SS**  101158.463.6-748.1000111.1
343A34.4Very low31.6Very low90 Ų90138.5 Ų138.574%0.74478%0.779SS**  trans67.2149179.400000115
344D31.3Very low31.9Very low141 Ų141135.9 Ų135.975%0.75477%0.773SS**  cis-147141.1-6-11314000106.8
345E34.6Very low32.3Very low164 Ų164133.5 Ų133.577%0.76677%0.771SS**  75.8153.981.2-67.7-62.4151.700115.6
346S31.1Very low32.6Very low115 Ų115132.5 Ų132.580%0.80477%0.77SS**  trans65.4116.1-171.8-63.70000116.4
347D31Very low32.6Very low160 Ų160127.3 Ų127.386%0.85676%0.764SS**  cis97163.821.9-157.221.9000114.9
348S34.9Very low32.4Very low107 Ų107130.2 Ų130.275%0.74877%0.767SS**  trans94.2110-176.6-160.80000118.2
349E39.2Very low32.4Very low184 Ų184131.7 Ų131.786%0.8677%0.774SS**  trans-37.7168.4146.5-49.1178.9144.900115
350G30.7Very low32.5Very low70 Ų70129.7 Ų129.772%0.72277%0.77SS**  cis162.8173.9-3.800000114
351D32.1Very low32.9Very low183 Ų183133.1 Ų133.198%0.97978%0.778SS**  trans61.5162.1159.7-156.932.2000122
352G28.7Very low33.8Very low71 Ų71132.6 Ų132.673%0.73278%0.777SS**  trans132.5110.9166.300000116.8
353D32.7Very low34.2Very low143 Ų143133 Ų13377%0.76577%0.774SS**  trans-117.7179.9176.4-179.238.7000112.6
354V34.8Very low34Very low107 Ų107135.5 Ų135.565%0.64877%0.77SS**  trans11398.2151.8-170.90000118.3
355Q36.8Very low34.1Very low152 Ų152135.7 Ų135.771%0.7177%0.771SS**  24.1143.7129.6-42.6170.730.800122.4
356L36.4Very low33.9Very low142 Ų142131.3 Ų131.374%0.74377%0.77SS**  165.4173.8106-102166.3000116.9
357A32.5Very low33.7Very low88 Ų88133.4 Ų133.473%0.72777%0.772SS**  trans71.4128171.600000117.9
358Q37.5Very low33.8Very low180 Ų180130.6 Ų130.684%0.84177%0.765SS**  cis92.9115.321.5-65.2-169.50.300117.9
359K28.6Very low33.6Very low218 Ų218135.5 Ų135.595%0.94878%0.776SS**  -162.3174.3128.3-139.3170.5179.4176.80111.9
360A30.1Very low33.2Very low79 Ų79130.3 Ų130.365%0.65377%0.772SS**  trans-136.2152.1-161.500000112.1
361V34.7Very low33.2Very low135 Ų135132.9 Ų132.982%0.81878%0.779SS**  73.2151.794.9169.70000113.9
362P47.9Very low33.2Very low106 Ų106128.7 Ų128.769%0.68876%0.764SS**  cis-113.3-141.81.638.4-20.3000112.8
363Q37.3Very low33.5Very low159 Ų159131.4 Ų131.474%0.74377%0.766SS**  cis-161.8164.14.3-123.2-179.5-57.800106.1
364E31.8Very low33.9Very low141 Ų141129 Ų12966%0.65976%0.759SS**  cis-157.4-128.6-10.1-148.9-166.6100.700113.3
365N33.1Very low34.1Very low145 Ų145131.3 Ų131.378%0.77577%0.767SS**  trans-104.6167.5-171.3-63.3-57.4000113.1
366G29.3Very low34Very low72 Ų72132.6 Ų132.674%0.74277%0.77SS**  cis165.5-155.6-3.500000113.3
367D28.3Very low34.4Very low159 Ų159130.4 Ų130.485%0.8577%0.773SS**  trans81.5171.4170.7-125.8-30.8000120.8
368S33.1Very low34.7Very low102 Ų102131 Ų13171%0.71378%0.777SS**  trans-136139.7-136.5-35.50000114.8
369E29.8Very low34.7Very low209 Ų209133.9 Ų133.998%0.97778%0.78SS**  trans-154.5155.1152.4-132.8174.6-141.600110.4
370G30Very low35.2Very low76 Ų76132.5 Ų132.578%0.78478%0.778SS**  trans-141.2148.1-171.100000113.9
371S31.2Very low35.8Very low123 Ų123135.3 Ų135.386%0.8679%0.786SS**  trans-147.2154.1167.7-163.90000111.9
372S31.9Very low36Very low95 Ų95133.2 Ų133.266%0.66478%0.783SS**  trans-80.7171.9175620000110.3
373V36.2Very low35.9Very low129 Ų129139.3 Ų139.378%0.78279%0.792SS**  cis-163-173.423.4-121.60000106.2
374P41.3Very low36.5Very low93 Ų93137 Ų13760%0.60479%0.791SS**  cis-127.7174.8-35.537-22.2000112.1
375D39.1Very low37.3Very low154 Ų154136.7 Ų136.782%0.82480%0.804SS**  trans-64.3134.3164.4-17912.5000112
376K34.8Very low38.2Very low180 Ų180134.8 Ų134.878%0.78380%0.802SS**  trans-147.6104.6167.6-74.7-166.6178174.50111.7A378K376-A378 PolarHBondContact O-N 3.33Å; K376-A378 VanDerWaalsContact O-N 3.14Å
377A44.5Very low39.1Very low96 Ų96135.9 Ų135.979%0.79381%0.805SS**  trans-55.1114.1171.700000112.8R379A377-R379 PolarHBondContact O-N 2.58Å
378A37.6Very low40.9Very low99 Ų99138.2 Ų138.282%0.81880%0.801SS**PPolyproline II helixtrans-74.6121.7173.300000110.5K376 Q380K376-A378 PolarHBondContact O-N 3.33Å; K376-A378 VanDerWaalsContact O-N 3.14Å; A378-Q380 PolarHBondContact O-N 3.25Å
379R37.7Very low41.8Very low241 Ų241139.4 Ų139.491%0.90981%0.807SS**PPolyproline II helixtrans-61130.3-175.1-64.4170.6174.4175.6-4.4111.7A377A377-R379 PolarHBondContact O-N 2.58Å
380Q39.6Very low42.8Very low190 Ų190133.8 Ų133.889%0.88880%0.796SS**PPolyproline II helixtrans-62.5137.5160-70.6-1692.600109.7A378 A382A378-Q380 PolarHBondContact O-N 3.25Å; Q380-A382 PolarHBondContact O-N 2.86Å
381V42.8Very low43.9Very low138 Ų138135.5 Ų135.584%0.83679%0.793SS**PPolyproline II helixtrans-69.1120.1172.11790000108.6R383V381-R383 PolarHBondContact O-N 2.93Å
382A38.6Very low44.8Very low90 Ų90135.8 Ų135.874%0.74479%0.792SS**PPolyproline II helixtrans-62.7128.4176.600000110.4Q380Q380-A382 PolarHBondContact O-N 2.86Å
383R47.2Very low46Very low235 Ų235142.9 Ų142.989%0.88780%0.804SS**PPolyproline II helixtrans-68.2148.2172.6-67.8179.3177177-1.2110V381 S385V381-R383 PolarHBondContact O-N 2.93Å; R383-S385 PolarHBondContact O-N 3Å
384P48.7Very low46.5Very low110 Ų110143.2 Ų143.271%0.71481%0.806SS**PPolyproline II helixtrans-60.4134.2176.425-34000111.5S386P384-S386 VanDerWaalsContact C-N 3.32Å; P384-S386 PolarHBondContact O-N 3.48Å
385S48.2Very low46.6Very low134 Ų134150.2 Ų150.294%0.93782%0.82SS**THydrogen-bonded Turntrans-83.667.2-175.2-179.40000112.4R383R383-S385 PolarHBondContact O-N 3Å
386S52.1Low46.8Very low105 Ų105154.3 Ų154.373%0.73482%0.824SS**THydrogen-bonded Turntrans-128.3-0.7177.858.20000115.1P384 R388P384-S386 VanDerWaalsContact C-N 3.32Å; P384-S386 PolarHBondContact O-N 3.48Å; S386-R388 PolarHBondContact O-N 3.02Å
387A47.9Very low47Very low96 Ų96154.8 Ų154.879%0.79383%0.83SS**PPolyproline II helixtrans-80.2116.5175.200000111.3
388R67.1Low46.5Very low208 Ų208159.3 Ų159.379%0.78583%0.834SS**PPolyproline II helixtrans-63.7142172.5-61.5-175.5-175.8-156.42.1110.3S386S386-R388 PolarHBondContact O-N 3.02Å
389P51.2Low46.3Very low127 Ų127160 Ų16083%0.82583%0.833SS**PPolyproline II helixtrans-57140173.2-24.834.6000112
390A52.1Low46Very low90 Ų90156.8 Ų156.874%0.74483%0.834SS**PPolyproline II helixtrans-67.1145.1174.400000110.8
391P53Low45.7Very low112 Ų112152.7 Ų152.773%0.72783%0.833SS**PPolyproline II helixtrans-61.4148.1178.825.6-34.4000111.7R393P391-R393 PolarHBondContact O-N 2.9Å
392P50.5Low45.1Very low129 Ų129155.1 Ų155.184%0.83884%0.835SS**PPolyproline II helixtrans-62.6126-172.824.9-34.1000111.6V394P392-V394 PolarHBondContact O-N 2.85Å
393R55.3Low44.8Very low244 Ų244157.2 Ų157.292%0.92184%0.838SS**PPolyproline II helixtrans-72.9117.8174.3-80.4-179.5161.3-177.6-6.4110.1P391 R395P391-R393 PolarHBondContact O-N 2.9Å; R393-R395 PolarHBondContact O-N 2.89Å
394V47.2Very low44.2Very low136 Ų136152 Ų15282%0.82483%0.833SS**PPolyproline II helixtrans-58.5121.8168-176.30000108.7P392 R396P392-V394 PolarHBondContact O-N 2.85Å; V394-R396 PolarHBondContact O-N 3.1Å
395R43.1Very low43.9Very low240 Ų240152.6 Ų152.691%0.90684%0.837SS**PPolyproline II helixtrans-65.8122171.1-80.2-179.6165.2177.7-5.5108.7R393R393-R395 PolarHBondContact O-N 2.89Å
396R43.1Very low43.1Very low240 Ų240151 Ų15191%0.90683%0.831SS**PPolyproline II helixtrans-82.8135.8156.1-79.1-173.6170-179.2-4.6108.1V394V394-R396 PolarHBondContact O-N 3.1Å
397Q39.1Very low42.2Very low191 Ų191152.6 Ų152.689%0.89383%0.827SS**PPolyproline II helixtrans-86.6125.9174.4-171169.3-1.300107.6
398E34Very low41.5Very low191 Ų191157.4 Ų157.489%0.89383%0.825SS**PPolyproline II helixtrans-89.7128.4177.6-67.5179166.900109.5
399S34.6Very low39.9Very low114 Ų114155.3 Ų155.380%0.79783%0.828SS**  trans-141.5135.8164.753.30000108.7
400N31.4Very low39.1Very low173 Ų173155.2 Ų155.293%0.92583%0.83SS**  trans-83.5135.9-177-70.4-32.8000111.1
401A32.4Very low38.1Very low104 Ų104157 Ų15786%0.8684%0.837SS**  trans-148.8149.9156.800000109.3
402E31.4Very low37.1Very low189 Ų189155.8 Ų155.888%0.88384%0.837SS**  trans-100.4-169.6-171.9-157.6174164.800111.6
403V31.6Very low36.8Very low133 Ų133159.5 Ų159.581%0.80684%0.84SS**  trans86.9147.8171.7-169.70000116.3
404T34.3Very low36.1Very low126 Ų126153.8 Ų153.877%0.77383%0.834SS**  trans-148.3177.8-172.862.20000109.8
405P43.5Very low35.5Very low123 Ų123153.9 Ų153.980%0.79984%0.835SS**  -136.4144.2-64.738.6-22.7000115
406A30.7Very low35.1Very low99 Ų99146.9 Ų146.982%0.81883%0.829SS**  trans-166.2152.4162.700000108.9
407E33.8Very low35.2Very low139 Ų139141.7 Ų141.765%0.6583%0.826SS**  cis-158.6141.4-11.9-131-159169.600109
408R32.7Very low34.9Very low198 Ų198140.1 Ų140.175%0.74782%0.822SS**  trans61.5165.4164.8-58.3177.9166.4105.512.4115.1
409L33.8Very low35Very low164 Ų164138.4 Ų138.486%0.85982%0.818SS**  cis-124.8157.73.6-77.7165.3000111.8
410S34.2Very low35Very low124 Ų124139.7 Ų139.787%0.86782%0.815SS**  trans-89.5149162.2-58.10000110.7
411S30.7Very low35.1Very low128 Ų128139 Ų13990%0.89581%0.811SS**  trans-148.1133.5155.9-170.70000111.4
412A32.2Very low35.1Very low86 Ų86137.7 Ų137.771%0.71181%0.808SS**  trans-128144.517500000108.9
413K44.8Very low35.2Very low208 Ų208137.6 Ų137.690%0.90480%0.804SS**  trans-62.3143.6177.5-63.7178.9177.2-178.40110.7
414P40.7Very low35.4Very low123 Ų123142.2 Ų142.280%0.79981%0.808SS**  -134.8177.5117.137.7-28000114.7
415T34.4Very low35.2Very low138 Ų138141.7 Ų141.785%0.84780%0.804SS**  trans-64.6155.1-172.847.40000116.6
416A34Very low34.6Very low94 Ų94141 Ų14178%0.77780%0.802SS**  trans-101.3152.6168.100000112.7
417P45Very low34.6Very low131 Ų131143.5 Ų143.585%0.85180%0.802SS**  trans-95.9179.917538.3-34.9000114.3
418I32.5Very low34.4Very low157 Ų157143.5 Ų143.581%0.80581%0.806SS**  trans-101.2155-171.2-64154.1000111.7
419I36.2Very low34.7Very low156 Ų156141.3 Ų141.380%0.881%0.805SS**  trans153142.6151.4-85.2157.1000110.1
420L35.5Very low34.7Very low140 Ų140141.8 Ų141.873%0.73380%0.802SS**  cis-158.9-178.6-23.1-102.7174.5000109.6
421D32.5Very low34.9Very low159 Ų159144 Ų14485%0.8580%0.804SS**  trans-53.1162.5-172.3-60.4-80000120.4
422G32.7Very low35.3Very low77 Ų77146 Ų14679%0.79480%0.8SS**  trans-157-10.6-17700000123.9
423K32.6Very low35.4Very low186 Ų186149.6 Ų149.681%0.80981%0.807SS**  trans44.199.4158.9-171.1-167.1173.5-176.60122.3
424R36.3Very low35.2Very low231 Ų231148.8 Ų148.887%0.87281%0.806SS**  trans61.6162.4145.2-45.8-179.3-179.9-139.1-1118.3
425T29.7Very low35.1Very low115 Ų115151.1 Ų151.171%0.70681%0.806SS**  cis-143.6176.87.547.90000110.9
426S30.5Very low34.7Very low107 Ų107153.2 Ų153.275%0.74880%0.804SS**  trans63.8154.2152.439.10000118.8
427D31.2Very low34.7Very low152 Ų152156.8 Ų156.881%0.81381%0.809SS**  cis-163.5-177-26.1-145.4-13.1000108
428D30.3Very low34Very low140 Ų140156 Ų15675%0.74980%0.802SS**  trans67.5116.3170.2-84.6-4.1000120.1
429E38.6Very low33.7Very low152 Ų152156.7 Ų156.771%0.7180%0.804SS**  49.8134.5125.7-52.2-58.775.300124.7
430E34.4Very low33.4Very low174 Ų174159 Ų15981%0.81381%0.811SS**  trans37116.3137.4-54.6-169.7149.300121.7
431D38.9Very low33Very low169 Ų169156.2 Ų156.290%0.90481%0.809SS**  -155.7157.8129.3-125.4-26.3000110.4
432E38.9Very low32.8Very low172 Ų172155.5 Ų155.580%0.80481%0.81SS**  trans-102.1175.9-154.7-61.8-171114.900117.8
433D34.7Very low32.5Very low161 Ų161158.2 Ų158.286%0.86181%0.811SS**  trans80.4128.9156.9-79.7-19.4000123.1
434E40.5Very low32.6Very low190 Ų190155 Ų15589%0.88881%0.809SS**  trans-94.2132.3-178.7-63.9-171.5136.800113.5
435Q37.6Very low32.2Very low172 Ų172152.4 Ų152.480%0.80481%0.807SS**  trans40.592.9136.4-165.35572.200118.7
436F26.5Very low32.5Very low182 Ų182152.7 Ų152.780%0.79881%0.81SS**  trans-44.6134.3170.4-158.3-106000114.4V438F436-V438 HydrophobicContact CD1-CG2 3.76Å; F436-V438 HydrophobicContact CE1-CG2 3.54Å
437L33Very low32.3Very low169 Ų169155 Ų15589%0.88581%0.814SS**  trans-111.1124.9-175.8-167.482.3000111.3
438V30Very low32.3Very low116 Ų116153 Ų15370%0.70381%0.812SS**  trans-133.7135.2173178.50000110.5F436F436-V438 HydrophobicContact CD1-CG2 3.76Å; F436-V438 HydrophobicContact CE1-CG2 3.54Å
439M28.3Very low32.5Very low171 Ų171152.3 Ų152.384%0.84282%0.816SS**  trans-75.9143.5176.2-66.1158.94800112.2
440E28.1Very low32Very low203 Ų203153.6 Ų153.695%0.94982%0.819SS**  trans-141.1147.8136.6-158.1168.3-179.800109.4
441A28.4Very low31.7Very low83 Ų83152 Ų15269%0.68682%0.821SS**  trans-111.4138.5-16000000113.7
442V26.8Very low31.2Very low143 Ų143151 Ų15187%0.86781%0.811SS**  trans-136.4123.2162-178.70000109
443T27.7Very low30.9Very low134 Ų134154.8 Ų154.882%0.82282%0.818SS**  trans-87.8142.6179.139.30000112.7
444P33.5Very low30.5Very low119 Ų119156.3 Ų156.377%0.77382%0.82SS**  trans-117.4140.4156.335.1-25.3000112.3
445H29Very low29.9Very low176 Ų176152.4 Ų152.482%0.81582%0.82SS**  trans-67154.9164.4-75.1-103.2000110.6
446P35.7Very low29.4Very low121 Ų121148.9 Ų148.979%0.78682%0.82SS**  -140.2163.997.138.6-26.8000114.8
447D26.8Very low29.5Very low156 Ų156148.3 Ų148.383%0.83482%0.82SS**  trans-68.5153.8175.1-61-70.9000113.7
448S30.1Very low29.4Very low109 Ų109148.7 Ų148.776%0.76282%0.817SS**  trans-143.2140.3161.558.90000110.8
449P36Very low29.6Very low127 Ų127151 Ų15183%0.82583%0.825SS**  trans-87.2125.4-17632.3-33.2000113.1
450K26.4Very low29.8Very low178 Ų178150.5 Ų150.577%0.77483%0.825SS**  trans17.4128.3149.8-59.1-175.7175.7-168.10119.4
451T29.9Very low30.2Very low141 Ų141145 Ų14587%0.86581%0.814SS**  -144.7138129.6-660000108.1
452E28.4Very low30.8Very low149 Ų149148.3 Ų148.370%0.69682%0.821SS**  trans-83.4149.2-172.6-61.4112.9177.100113.8
453R30.8Very low31.7Very low250 Ų250147.7 Ų147.794%0.94381%0.809SS**  trans-152.3128.1131.5-123.3178.9-179.789.51.2110.5
454E27.4Very low33.1Very low194 Ų194149.3 Ų149.391%0.90780%0.804SS**  trans-81.3158.3-175.3-61.6172.8126.200111.8
455A27.1Very low34.3Very low107 Ų107150.4 Ų150.488%0.88480%0.798SS**  trans-108.8123.1175.900000111
456A28.1Very low36Very low98 Ų98144.2 Ų144.281%0.8178%0.782SS**  trans-159.1143.8166.600000107.1
457H29Very low37.7Very low170 Ų170141.5 Ų141.579%0.78778%0.776SS**  cis-149.7153.8-1.6-160.3-81.8000107.9
458E30Very low39.7Very low178 Ų178140.2 Ų140.283%0.83277%0.769SS**  trans-69134.2165.7-65.8175.2120.700109.9
459L33.9Very low41.6Very low164 Ų164138 Ų13886%0.85975%0.751SS**  trans-147.1135.1152-82.8-172.3000110.1
460D33.5Very low43.4Very low160 Ų160139 Ų13986%0.85674%0.742SS**  trans-61145.5169.9-113.3-43.8000111.7
461A35.3Very low45.7Very low87 Ų87137.3 Ų137.372%0.71974%0.735SS**  trans-148.824.7178.300000113.6E463A461-E463 VanDerWaalsContact C-N 3.32Å; A461-E463 PolarHBondContact O-N 3.19Å
462D41.8Very low48Very low154 Ų154135.6 Ų135.682%0.82472%0.719SS**  trans-81.771.6-178.7-15814.9000112.5
463E46.5Very low50.3Low130 Ų130133.7 Ų133.761%0.60771%0.713SS**SBendtrans-141.6134.7160.3-87.4-148.913800114A461 H465A461-E463 VanDerWaalsContact C-N 3.32Å; A461-E463 PolarHBondContact O-N 3.19Å; E463-H465 PolarHBondContact O-N 3.11Å
464K56.1Low52.4Low167 Ų167126.9 Ų126.973%0.72669%0.692SS**  trans6048.3146.9-61163.1-172.8151.90117.4G466K464-G466 PolarHBondContact O-N 3.23Å; K464-G466 VanDerWaalsContact O-N 3.07Å
465H58Low54.7Low142 Ų142121.8 Ų121.866%0.65767%0.674SS**  trans-64.1106.5161.2-78.148.9000111.2E463E463-H465 PolarHBondContact O-N 3.11Å
466G66.1Low57Low46 Ų46122.9 Ų122.947%0.47466%0.659SS.*  trans-61.6148.8-17900000113.7K464 L468 V469K464-G466 PolarHBondContact O-N 3.23Å; K464-G466 VanDerWaalsContact O-N 3.07Å; G466-L468 PolarHBondContact O-N 3.44Å; G466-V469 WeakPolarHBondContact O-CB 3.26Å; G466-V469 PolarHBondContact O-N 2.88Å
467G71.6Confident59.2Low64 Ų64124.8 Ų124.866%0.6665%0.649SS**Hα-helixtrans-57.4-19.2-166.500000117.2K471G467-K471 PolarHBondContact O-N 3.11Å
468L67.1Low61Low130 Ų130121.2 Ų121.268%0.68164%0.636SS**Hα-helixtrans-67.2-39.7171.4-176.661.3000112.1G466 K471 I472G466-L468 PolarHBondContact O-N 3.44Å; L468-K471 PolarHBondContact O-N 2.74Å; L468-I472 HydrophobicContact CG-CD1 4.13Å; L468-I472 WeakPolarHBondContact O-CG1 3.41Å; L468-I472 PolarHBondContact O-N 3.41Å; L468-I472 VanDerWaalsContact O-N 3.08Å
469V70.7Confident62.7Low63 Ų63121.7 Ų121.738%0.38263%0.631SS.*Hα-helixtrans-65.1-41.4179.7-176.40000110.5G466 K471 I472 L473G466-V469 WeakPolarHBondContact O-CB 3.26Å; G466-V469 PolarHBondContact O-N 2.88Å; V469-K471 VanDerWaalsContact C-N 3.35Å; V469-K471 PolarHBondContact O-N 2.94Å; V469-I472 PolarHBondContact O-N 2.99Å; V469-L473 HydrophobicContact CG1-CD1 4.26Å; V469-L473 PolarHBondContact O-N 2.94Å
470K74.5Confident64Low146 Ų146119.6 Ų119.664%0.63562%0.617SS**Hα-helixtrans-57.8-46.4174.6-171.4174.6-179.3178.30111.5I472 L473 E474K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 3.39Å; K470-L473 PolarHBondContact O-N 3.19Å; K470-E474 WeakPolarHBondContact O-CB 3.44Å; K470-E474 PolarHBondContact O-N 3.46Å
471K74.9Confident65.1Low143 Ų143117.1 Ų117.162%0.62260%0.603SS**Hα-helixtrans-62.9-34.7176.8-104.8-176.2174.2-178.50113.9G467 L468 V469 T475G467-K471 PolarHBondContact O-N 3.11Å; L468-K471 PolarHBondContact O-N 2.74Å; V469-K471 VanDerWaalsContact C-N 3.35Å; V469-K471 PolarHBondContact O-N 2.94Å; K471-T475 WeakPolarHBondContact O-CB 3.48Å; K471-T475 PolarHBondContact O-N 3.02Å; K471-T475 PolarHBondContact O-OG1 3.39Å
472I77.5Confident65.8Low106 Ų106118.1 Ų118.154%0.54460%0.601SS.*Hα-helixtrans-69.7-42.8177.3-68.6165.8000110.5L468 V469 K470 K476L468-I472 HydrophobicContact CG-CD1 4.13Å; L468-I472 WeakPolarHBondContact O-CG1 3.41Å; L468-I472 PolarHBondContact O-N 3.41Å; L468-I472 VanDerWaalsContact O-N 3.08Å; V469-I472 PolarHBondContact O-N 2.99Å; K470-I472 VanDerWaalsContact C-N 3.34Å; K470-I472 PolarHBondContact O-N 3.39Å; I472-K476 WeakPolarHBondContact O-CB 3.27Å; I472-K476 PolarHBondContact O-N 3.43Å
473L76.7Confident66.3Low109 Ų109118.5 Ų118.557%0.57160%0.602SS**Hα-helixtrans-65.9-39.5176.6-69.4169.9000112.4V469 K470 K476 K477V469-L473 HydrophobicContact CG1-CD1 4.26Å; V469-L473 PolarHBondContact O-N 2.94Å; K470-L473 PolarHBondContact O-N 3.19Å; L473-K476 PolarHBondContact O-N 2.9Å; L473-K477 PolarHBondContact O-N 3.45Å; L473-K477 VanDerWaalsContact O-N 3.15Å
474E74.3Confident66.5Low107 Ų107116.4 Ų116.450%0.560%0.601SS.*Hα-helixtrans-63.9-52.7175.9-164.2159.6-127.400111K470 K476 K477 D478K470-E474 WeakPolarHBondContact O-CB 3.44Å; K470-E474 PolarHBondContact O-N 3.46Å; E474-K476 PolarHBondContact O-N 3.4Å; E474-K477 WeakPolarHBondContact O-CB 3.36Å; E474-K477 PolarHBondContact O-N 2.91Å; E474-D478 PolarHBondContact O-N 3.15Å
475T76.6Confident65.9Low87 Ų87114 Ų11453%0.53461%0.606SS.*Hα-helixtrans-56-37.4175.2-49.70000112.7K471 Y479K471-T475 WeakPolarHBondContact O-CB 3.48Å; K471-T475 PolarHBondContact O-N 3.02Å; K471-T475 PolarHBondContact O-OG1 3.39Å; T475-Y479 PolarHBondContact O-N 3.16Å
476K75.4Confident65.4Low129 Ų129111.9 Ų111.956%0.56161%0.607SS**Hα-helixtrans-66.6-40.4177.7-170.9-174.3174.4-161.30111.9I472 L473 E474 Y479 E480I472-K476 WeakPolarHBondContact O-CB 3.27Å; I472-K476 PolarHBondContact O-N 3.43Å; L473-K476 PolarHBondContact O-N 2.9Å; E474-K476 PolarHBondContact O-N 3.4Å; K476-Y479 WeakPolarHBondContact O-CB 3.41Å; K476-Y479 PolarHBondContact O-N 3.12Å; K476-E480 VanDerWaalsContact CE-OE1 3.29Å; K476-E480 WeakPolarHBondContact CE-OE1 3.5Å; K476-E480 IonicContact NZ-OE1 2.65Å; K476-E480 PolarHBondContact O-N 3.02Å
477K74.6Confident64.5Low139 Ų139119.7 Ų119.760%0.60463%0.628SS**Hα-helixtrans-64.6-39.7179.8-172179.1179-177.70112.2L473 E474 Y479 E480 L481L473-K477 PolarHBondContact O-N 3.45Å; L473-K477 VanDerWaalsContact O-N 3.15Å; E474-K477 WeakPolarHBondContact O-CB 3.36Å; E474-K477 PolarHBondContact O-N 2.91Å; K477-Y479 VanDerWaalsContact C-N 3.28Å; K477-Y479 PolarHBondContact O-N 3.29Å; K477-E480 PolarHBondContact O-N 2.87Å; K477-L481 PolarHBondContact O-N 3.06Å; K477-L481 VanDerWaalsContact O-N 3.15Å
478D66.2Low63.3Low95 Ų95121.6 Ų121.651%0.50863%0.631SS.*Hα-helixtrans-67.5-30.4176.8-64.2-22.7000112.3E474 T482E474-D478 PolarHBondContact O-N 3.15Å; D478-T482 PolarHBondContact O-N 2.83Å; D478-T482 PolarHBondContact O-OG1 3.35Å; D478-T482 VanDerWaalsContact O-OG1 3.09Å
479Y64.7Low62.5Low188 Ų188123 Ų12374%0.73763%0.631SS**Hα-helixtrans-73-26.2174.4-130.5-82.2000113.6T475 K476 K477 T482T475-Y479 PolarHBondContact O-N 3.16Å; K476-Y479 WeakPolarHBondContact O-CB 3.41Å; K476-Y479 PolarHBondContact O-N 3.12Å; K477-Y479 VanDerWaalsContact C-N 3.28Å; K477-Y479 PolarHBondContact O-N 3.29Å; Y479-T482 PolarHBondContact O-OG1 2.91Å
480E61.4Low61.5Low120 Ų120127.9 Ų127.956%0.56165%0.65SS**Hα-helixtrans-79.4-37.7174.1-72.2173.9-177.600111.3K476 K477 T482 L483K476-E480 VanDerWaalsContact CE-OE1 3.29Å; K476-E480 WeakPolarHBondContact CE-OE1 3.5Å; K476-E480 IonicContact NZ-OE1 2.65Å; K476-E480 PolarHBondContact O-N 3.02Å; K477-E480 PolarHBondContact O-N 2.87Å; E480-T482 VanDerWaalsContact C-N 3.3Å; E480-T482 PolarHBondContact O-N 3.3Å; E480-L483 PolarHBondContact O-N 3.46Å
481L57Low60.3Low108 Ų108129.3 Ų129.357%0.56566%0.659SS**Hα-helixtrans-64.3-29177.6-81.7164.6000114.1K477 L483 S484K477-L481 PolarHBondContact O-N 3.06Å; K477-L481 VanDerWaalsContact O-N 3.15Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 2.94Å; L481-S484 PolarHBondContact O-N 2.91Å; L481-S484 PolarHBondContact O-OG 3.21Å
482T50.3Low59.2Low108 Ų108127.2 Ų127.266%0.66366%0.655SS**THydrogen-bonded Turntrans-76.7-12-179.738.10000114D478 Y479 E480D478-T482 PolarHBondContact O-N 2.83Å; D478-T482 PolarHBondContact O-OG1 3.35Å; D478-T482 VanDerWaalsContact O-OG1 3.09Å; Y479-T482 PolarHBondContact O-OG1 2.91Å; E480-T482 VanDerWaalsContact C-N 3.3Å; E480-T482 PolarHBondContact O-N 3.3Å
483L52.4Low58.1Low161 Ų161127.1 Ų127.184%0.84366%0.655SS**THydrogen-bonded Turntrans-83.1-15.2175.5-160.265.6000113.1E480 L481 S485E480-L483 PolarHBondContact O-N 3.46Å; L481-L483 VanDerWaalsContact C-N 3.29Å; L481-L483 PolarHBondContact O-N 2.94Å; L483-S485 PolarHBondContact O-N 3.03Å
484S50.8Low57.2Low86 Ų86126.7 Ų126.760%0.60166%0.657SS**  trans-94.138.1-173.347.30000116L481 S486L481-S484 PolarHBondContact O-N 2.91Å; L481-S484 PolarHBondContact O-OG 3.21Å; S484-S486 PolarHBondContact O-N 3.07Å
485S42.7Very low56.6Low118 Ų118124.4 Ų124.483%0.82565%0.653SS**  trans-84.7106.7175-1710000112.3L483L483-S485 PolarHBondContact O-N 3.03Å
486S48.8Very low56Low96 Ų96124.3 Ų124.367%0.67165%0.646SS**  trans-101.4117-17457.70000113.7S484S484-S486 PolarHBondContact O-N 3.07Å
487K45.5Very low55.8Low210 Ų210121.3 Ų121.391%0.91364%0.639SS**  trans-151.943.2169.5-120172.6-171.1178.90115.3
488S46.3Very low55.8Low105 Ų105117 Ų11773%0.73463%0.629SS**SBendtrans-152.97.1178.757.80000116.3
489K50.9Low56.3Low158 Ų158120.4 Ų120.469%0.68764%0.635SS**SBendtrans-85.9-37-170.5-77.5-175.2174178.70115.6L493K489-L493 WeakPolarHBondContact O-CB 3.06Å; K489-L493 PolarHBondContact O-N 3.25Å
490E49.3Very low57.1Low166 Ų166116 Ų11678%0.77662%0.619SS**Hα-helixtrans-66.5-54.3-168-73176113.800114.8N492 L493 V494E490-N492 PolarHBondContact O-N 3.09Å; E490-L493 WeakPolarHBondContact O-CB 3.4Å; E490-L493 PolarHBondContact O-N 2.94Å; E490-L493 VanDerWaalsContact O-N 3.07Å; E490-V494 PolarHBondContact O-N 3.24Å; E490-V494 VanDerWaalsContact O-N 3.15Å
491Q49.9Very low58.2Low176 Ų176117.1 Ų117.182%0.82262%0.622SS**Hα-helixtrans-59.4-31.9-179.1-90.8-173.4-21.600113.1S495Q491-S495 PolarHBondContact O-N 2.85Å; Q491-S495 PolarHBondContact O-OG 2.82Å
492N51.8Low59.4Low99 Ų99116.6 Ų116.653%0.52962%0.62SS.*Hα-helixtrans-77.4-36.5177.9-145.32.2000111.2E490 V494 S495 E496E490-N492 PolarHBondContact O-N 3.09Å; N492-V494 PolarHBondContact O-N 2.96Å; N492-S495 PolarHBondContact O-N 3.34Å; N492-E496 WeakPolarHBondContact O-CB 3.44Å; N492-E496 PolarHBondContact O-N 3.42Å
493L55.5Low61.1Low105 Ų105119.9 Ų119.955%0.5562%0.62SS.*Hα-helixtrans-60.3-42.7175.2-128.171.8000112.5K489 E490 E496 T497K489-L493 WeakPolarHBondContact O-CB 3.06Å; K489-L493 PolarHBondContact O-N 3.25Å; E490-L493 WeakPolarHBondContact O-CB 3.4Å; E490-L493 PolarHBondContact O-N 2.94Å; E490-L493 VanDerWaalsContact O-N 3.07Å; L493-E496 PolarHBondContact O-N 3.34Å; L493-T497 WeakPolarHBondContact O-CB 3.49Å; L493-T497 WeakPolarHBondContact O-CG2 3.49Å; L493-T497 PolarHBondContact O-N 3.09Å; L493-T497 PolarHBondContact O-OG1 3.38Å
494V56.1Low62.8Low100 Ų100115.6 Ų115.661%0.60660%0.596SS**Hα-helixtrans-65.6-42177.8179.60000110.8E490 N492 T497 A498E490-V494 PolarHBondContact O-N 3.24Å; E490-V494 VanDerWaalsContact O-N 3.15Å; N492-V494 PolarHBondContact O-N 2.96Å; V494-T497 WeakPolarHBondContact CA-OG1 3.35Å; V494-T497 PolarHBondContact O-N 3.46Å; V494-T497 PolarHBondContact O-OG1 2.95Å; V494-T497 VanDerWaalsContact O-OG1 3.13Å; V494-A498 PolarHBondContact O-N 2.74Å; V494-A498 VanDerWaalsContact O-N 3.08Å
495S62.3Low64.6Low59 Ų59117 Ų11741%0.41360%0.595SS.*Hα-helixtrans-67.9-37.6178.1-59.20000112.8Q491 N492 R499Q491-S495 PolarHBondContact O-N 2.85Å; Q491-S495 PolarHBondContact O-OG 2.82Å; N492-S495 PolarHBondContact O-N 3.34Å; S495-R499 WeakPolarHBondContact O-CG 3.41Å; S495-R499 PolarHBondContact O-N 3Å
496E63.8Low67Low85 Ų85115 Ų11540%0.39758%0.577SS.*Hα-helixtrans-71.7-39.6173.9-79.5-160.4177.600112.9N492 L493 R499 K500N492-E496 WeakPolarHBondContact O-CB 3.44Å; N492-E496 PolarHBondContact O-N 3.42Å; L493-E496 PolarHBondContact O-N 3.34Å; E496-R499 PolarHBondContact O-N 3.11Å; E496-K500 WeakPolarHBondContact O-CB 3.45Å; E496-K500 WeakPolarHBondContact O-CD 3.44Å; E496-K500 WeakPolarHBondContact O-CG 3.23Å; E496-K500 PolarHBondContact O-N 2.87Å; E496-K500 WeakPolarHBondContact OE2-CE 3.29Å; E496-K500 IonicContact OE2-NZ 2.64Å; E496-K500 PolarHBondContact OE2-NZ 3.02Å
497T70.6Confident69Low66 Ų66115.5 Ų115.541%0.40557%0.57SS.*Hα-helixtrans-69.7-35.4-179.245.50000112L493 V494 K500 K501L493-T497 WeakPolarHBondContact O-CB 3.49Å; L493-T497 WeakPolarHBondContact O-CG2 3.49Å; L493-T497 PolarHBondContact O-N 3.09Å; L493-T497 PolarHBondContact O-OG1 3.38Å; V494-T497 WeakPolarHBondContact CA-OG1 3.35Å; V494-T497 PolarHBondContact O-N 3.46Å; V494-T497 PolarHBondContact O-OG1 2.95Å; V494-T497 VanDerWaalsContact O-OG1 3.13Å; T497-K500 PolarHBondContact O-N 3.26Å; T497-K501 WeakPolarHBondContact O-CG 3.23Å; T497-K501 PolarHBondContact O-N 2.88Å
498A75.9Confident71.2Confident48 Ų48111.8 Ų111.840%0.39755%0.55SS.*Hα-helixtrans-58-54.9167.400000111.3V494 K500 K501 D502V494-A498 PolarHBondContact O-N 2.74Å; V494-A498 VanDerWaalsContact O-N 3.08Å; A498-K500 PolarHBondContact O-N 3.01Å; A498-K501 WeakPolarHBondContact O-CA 3.35Å; A498-K501 WeakPolarHBondContact O-CB 3.32Å; A498-K501 PolarHBondContact O-N 3.48Å; A498-D502 VanDerWaalsContact O-CG 3.32Å; A498-D502 PolarHBondContact O-N 3.3Å
499R75.4Confident73.5Confident167 Ų167112 Ų11263%0.6354%0.54SS*.Hα-helixtrans-63.2-25.3179.3-70.8172.6175.4169.3-0.3114S495 E496 R503S495-R499 WeakPolarHBondContact O-CG 3.41Å; S495-R499 PolarHBondContact O-N 3Å; E496-R499 PolarHBondContact O-N 3.11Å; R499-R503 WeakPolarHBondContact O-CD 3.21Å; R499-R503 WeakPolarHBondContact O-CG 3.22Å; R499-R503 PolarHBondContact O-N 3.31Å
500K81.4Confident75.6Confident96 Ų96109.2 Ų109.242%0.41753%0.531SS..Hα-helixtrans-73.1-46.8171.2-73.6161.7-168.3169.20110.4E496 T497 A498 D502 R503 E504E496-K500 WeakPolarHBondContact O-CB 3.45Å; E496-K500 WeakPolarHBondContact O-CD 3.44Å; E496-K500 WeakPolarHBondContact O-CG 3.23Å; E496-K500 PolarHBondContact O-N 2.87Å; E496-K500 WeakPolarHBondContact OE2-CE 3.29Å; E496-K500 IonicContact OE2-NZ 2.64Å; E496-K500 PolarHBondContact OE2-NZ 3.02Å; T497-K500 PolarHBondContact O-N 3.26Å; A498-K500 PolarHBondContact O-N 3.01Å; K500-D502 PolarHBondContact O-N 3.45Å; K500-R503 PolarHBondContact O-N 2.98Å; K500-E504 WeakPolarHBondContact O-CG 3.26Å; K500-E504 PolarHBondContact O-N 3.41Å
501K84.4Confident77.7Confident142 Ų142104.9 Ų104.962%0.61751%0.513SS*.Hα-helixtrans-58-42.6173.7-73.7179.1177.6-173.30112.7T497 A498 E504 M505T497-K501 WeakPolarHBondContact O-CG 3.23Å; T497-K501 PolarHBondContact O-N 2.88Å; A498-K501 WeakPolarHBondContact O-CA 3.35Å; A498-K501 WeakPolarHBondContact O-CB 3.32Å; A498-K501 PolarHBondContact O-N 3.48Å; K501-E504 PolarHBondContact O-N 3.47Å; K501-M505 WeakPolarHBondContact O-CB 3.34Å; K501-M505 PolarHBondContact O-N 2.95Å
502D82.1Confident79.9Confident98 Ų98104.5 Ų104.552%0.52450%0.504SS..Hα-helixtrans-60.4-47.3175.6-60.3-27.1000111.3A498 K500 E504 M505 V506A498-D502 VanDerWaalsContact O-CG 3.32Å; A498-D502 PolarHBondContact O-N 3.3Å; K500-D502 PolarHBondContact O-N 3.45Å; D502-E504 VanDerWaalsContact C-N 3.35Å; D502-E504 PolarHBondContact O-N 3.15Å; D502-M505 PolarHBondContact O-N 3.19Å; D502-V506 WeakPolarHBondContact O-CG2 3.13Å; D502-V506 PolarHBondContact O-N 3.4Å
503R86Confident82Confident176 Ų176105 Ų10566%0.66451%0.506SS*.Hα-helixtrans-62.5-40.5176.6-73.9169.6-179-171.9-0.3111.9R499 K500 V506 M507R499-R503 WeakPolarHBondContact O-CD 3.21Å; R499-R503 WeakPolarHBondContact O-CG 3.22Å; R499-R503 PolarHBondContact O-N 3.31Å; K500-R503 PolarHBondContact O-N 2.98Å; R503-V506 PolarHBondContact O-N 2.92Å; R503-M507 WeakPolarHBondContact O-CB 3.43Å; R503-M507 VanDerWaalsContact O-CG 3.28Å; R503-M507 WeakPolarHBondContact O-CG 3.2Å; R503-M507 PolarHBondContact O-N 2.95Å
504E88.8Confident83.9Confident72 Ų72106.9 Ų106.934%0.33651%0.506SS..Hα-helixtrans-67.8-35.7175.1-67169.6-146.700112.7K500 K501 D502 M507 R508K500-E504 WeakPolarHBondContact O-CG 3.26Å; K500-E504 PolarHBondContact O-N 3.41Å; K501-E504 PolarHBondContact O-N 3.47Å; D502-E504 VanDerWaalsContact C-N 3.35Å; D502-E504 PolarHBondContact O-N 3.15Å; E504-M507 HydrophobicContact CB-CE 4.39Å; E504-M507 HydrophobicContact CG-CE 4.1Å; E504-M507 PolarHBondContact O-N 3.44Å; E504-R508 WeakPolarHBondContact O-CB 3.3Å; E504-R508 VanDerWaalsContact O-CG 3.24Å; E504-R508 WeakPolarHBondContact O-CG 3.4Å; E504-R508 PolarHBondContact O-N 3.07Å; E504-R508 IonicContact OE2-CZ 2.74Å; E504-R508 IonicContact OE2-NH1 3.74Å; E504-R508 PolarHBondContact OE2-NH1 2.91Å; E504-R508 IonicContact OE2-NH2 3.25Å; E504-R508 PolarHBondContact OE2-NH2 3.03Å
505M89.2Confident85.7Confident116 Ų116105 Ų10557%0.57150%0.497SS*.Hα-helixtrans-63.2-47.7174-172.4172.5-71.700110.4K501 D502 M507 R508 E509K501-M505 WeakPolarHBondContact O-CB 3.34Å; K501-M505 PolarHBondContact O-N 2.95Å; D502-M505 PolarHBondContact O-N 3.19Å; M505-M507 VanDerWaalsContact C-N 3.34Å; M505-M507 PolarHBondContact O-N 2.76Å; M505-R508 PolarHBondContact O-N 3.01Å; M505-E509 WeakPolarHBondContact O-CG 3.28Å; M505-E509 PolarHBondContact O-N 3.26Å
506V92Very high87.3Confident76 Ų76105 Ų10546%0.46150%0.497SS..Hα-helixtrans-61.3-39.3173.8172.20000111.9D502 R503 E509 I510D502-V506 WeakPolarHBondContact O-CG2 3.13Å; D502-V506 PolarHBondContact O-N 3.4Å; R503-V506 PolarHBondContact O-N 2.92Å; V506-E509 PolarHBondContact O-N 3.39Å; V506-I510 HydrophobicContact CG1-CD1 3.8Å; V506-I510 HydrophobicContact CG1-CG1 4.42Å; V506-I510 WeakPolarHBondContact O-CB 3.41Å; V506-I510 VanDerWaalsContact O-CG1 3.26Å; V506-I510 WeakPolarHBondContact O-CG1 3.42Å; V506-I510 PolarHBondContact O-N 3.39Å
507M91.4Very high88.8Confident105 Ų105105.3 Ų105.352%0.51750%0.501SS..Hα-helixtrans-64.9-42.6174-74.4-175.1-60.900112.1R503 E504 M505 E509 I510 D511R503-M507 WeakPolarHBondContact O-CB 3.43Å; R503-M507 VanDerWaalsContact O-CG 3.28Å; R503-M507 WeakPolarHBondContact O-CG 3.2Å; R503-M507 PolarHBondContact O-N 2.95Å; E504-M507 HydrophobicContact CB-CE 4.39Å; E504-M507 HydrophobicContact CG-CE 4.1Å; E504-M507 PolarHBondContact O-N 3.44Å; M505-M507 VanDerWaalsContact C-N 3.34Å; M505-M507 PolarHBondContact O-N 2.76Å; M507-E509 VanDerWaalsContact C-N 3.28Å; M507-E509 PolarHBondContact O-N 3.23Å; M507-I510 PolarHBondContact O-N 3.4Å; M507-D511 PolarHBondContact O-N 3.03Å
508R92.6Very high89.9Confident133 Ų133105.9 Ų105.950%0.50250%0.499SS..Hα-helixtrans-62-34.6174.1-70.7169.4-170.21127112E504 M505 R512E504-R508 WeakPolarHBondContact O-CB 3.3Å; E504-R508 VanDerWaalsContact O-CG 3.24Å; E504-R508 WeakPolarHBondContact O-CG 3.4Å; E504-R508 PolarHBondContact O-N 3.07Å; E504-R508 IonicContact OE2-CZ 2.74Å; E504-R508 IonicContact OE2-NH1 3.74Å; E504-R508 PolarHBondContact OE2-NH1 2.91Å; E504-R508 IonicContact OE2-NH2 3.25Å; E504-R508 PolarHBondContact OE2-NH2 3.03Å; M505-R508 PolarHBondContact O-N 3.01Å; R508-R512 WeakPolarHBondContact O-CB 3.39Å; R508-R512 VanDerWaalsContact O-CG 3.23Å; R508-R512 WeakPolarHBondContact O-CG 3.43Å; R508-R512 PolarHBondContact O-N 3.25Å
509E94.1Very high90.8Very high110 Ų110109.1 Ų109.151%0.51451%0.507SS..Hα-helixtrans-71.4-40.9173.2-72.5-179.8173.900112.7M505 V506 M507 R512 L513M505-E509 WeakPolarHBondContact O-CG 3.28Å; M505-E509 PolarHBondContact O-N 3.26Å; V506-E509 PolarHBondContact O-N 3.39Å; M507-E509 VanDerWaalsContact C-N 3.28Å; M507-E509 PolarHBondContact O-N 3.23Å; E509-R512 PolarHBondContact O-N 2.96Å; E509-L513 WeakPolarHBondContact O-CB 3.21Å; E509-L513 PolarHBondContact O-N 3.33Å
510I94.6Very high91.7Very high99 Ų99105.6 Ų105.651%0.50850%0.504SS..Hα-helixtrans-62.8-43.9174.3-72166.4000110.9V506 M507 L513 R514V506-I510 HydrophobicContact CG1-CD1 3.8Å; V506-I510 HydrophobicContact CG1-CG1 4.42Å; V506-I510 WeakPolarHBondContact O-CB 3.41Å; V506-I510 VanDerWaalsContact O-CG1 3.26Å; V506-I510 WeakPolarHBondContact O-CG1 3.42Å; V506-I510 PolarHBondContact O-N 3.39Å; M507-I510 PolarHBondContact O-N 3.4Å; I510-L513 PolarHBondContact O-N 3.42Å; I510-R514 VanDerWaalsContact O-CB 3.23Å; I510-R514 WeakPolarHBondContact O-CB 3.5Å; I510-R514 PolarHBondContact O-N 3.33Å
511D94.4Very high92.2Very high74 Ų74103.9 Ų103.940%0.39650%0.504SS..Hα-helixtrans-72.3-29.3177.3-84-47.1000112.7M507 R514 S515M507-D511 PolarHBondContact O-N 3.03Å; D511-R514 VanDerWaalsContact OD1-CD 3.26Å; D511-R514 WeakPolarHBondContact OD1-CD 3.4Å; D511-R514 IonicContact OD1-CZ 2.84Å; D511-R514 IonicContact OD1-NE 3.44Å; D511-R514 IonicContact OD1-NH1 3.99Å; D511-R514 PolarHBondContact OD1-NH1 2.93Å; D511-S515 VanDerWaalsContact O-CB 3.28Å; D511-S515 WeakPolarHBondContact O-CB 3.47Å; D511-S515 PolarHBondContact O-N 3.34Å; D511-S515 PolarHBondContact O-OG 3.24Å
512R94.9Very high92.5Very high169 Ų169105.3 Ų105.364%0.63851%0.505SS*.Hα-helixtrans-64.1-47.2166.3-79.7170.5178.1150.9-1.8111.6R508 E509 S515 S516R508-R512 WeakPolarHBondContact O-CB 3.39Å; R508-R512 VanDerWaalsContact O-CG 3.23Å; R508-R512 WeakPolarHBondContact O-CG 3.43Å; R508-R512 PolarHBondContact O-N 3.25Å; E509-R512 PolarHBondContact O-N 2.96Å; R512-S515 WeakPolarHBondContact O-CB 3.43Å; R512-S515 PolarHBondContact O-N 3.43Å; R512-S516 PolarHBondContact O-N 3.13Å; R512-S516 PolarHBondContact O-OG 3.19Å
513L95.8Very high92.9Very high108 Ų108104.3 Ų104.357%0.56551%0.506SS*.Hα-helixtrans-61-45.7176.7176.759.7000111.3E509 I510 S515 S516 I517E509-L513 WeakPolarHBondContact O-CB 3.21Å; E509-L513 PolarHBondContact O-N 3.33Å; I510-L513 PolarHBondContact O-N 3.42Å; L513-S515 VanDerWaalsContact C-N 3.32Å; L513-S515 PolarHBondContact O-N 3.12Å; L513-S516 PolarHBondContact O-N 3.31Å; L513-I517 HydrophobicContact CD1-CD1 3.99Å; L513-I517 HydrophobicContact CD1-CG1 4.28Å; L513-I517 HydrophobicContact CG-CD1 3.92Å; L513-I517 VanDerWaalsContact O-CG1 3.29Å; L513-I517 WeakPolarHBondContact O-CG1 3.18Å; L513-I517 PolarHBondContact O-N 2.66Å
514R95.7Very high93.2Very high145 Ų14598.7 Ų98.755%0.54749%0.493SS..Hα-helixtrans-57.4-43.1173.4-178.2-172.2-177.7-166.31111.7I510 D511 I517 Q518I510-R514 VanDerWaalsContact O-CB 3.23Å; I510-R514 WeakPolarHBondContact O-CB 3.5Å; I510-R514 PolarHBondContact O-N 3.33Å; D511-R514 VanDerWaalsContact OD1-CD 3.26Å; D511-R514 WeakPolarHBondContact OD1-CD 3.4Å; D511-R514 IonicContact OD1-CZ 2.84Å; D511-R514 IonicContact OD1-NE 3.44Å; D511-R514 IonicContact OD1-NH1 3.99Å; D511-R514 PolarHBondContact OD1-NH1 2.93Å; R514-I517 PolarHBondContact O-N 2.99Å; R514-Q518 WeakPolarHBondContact O-CB 3.35Å; R514-Q518 VanDerWaalsContact O-CG 3.31Å; R514-Q518 WeakPolarHBondContact O-CG 3.41Å; R514-Q518 PolarHBondContact O-N 3.3Å
515S95.4Very high93.1Very high61 Ų61101.2 Ų101.243%0.42751%0.508SS..Hα-helixtrans-65.3-44.8176.6-61.40000111.7D511 R512 L513 Q518 M519D511-S515 VanDerWaalsContact O-CB 3.28Å; D511-S515 WeakPolarHBondContact O-CB 3.47Å; D511-S515 PolarHBondContact O-N 3.34Å; D511-S515 PolarHBondContact O-OG 3.24Å; R512-S515 WeakPolarHBondContact O-CB 3.43Å; R512-S515 PolarHBondContact O-N 3.43Å; L513-S515 VanDerWaalsContact C-N 3.32Å; L513-S515 PolarHBondContact O-N 3.12Å; S515-Q518 PolarHBondContact O-N 2.66Å; S515-M519 WeakPolarHBondContact O-CG 3.32Å; S515-M519 PolarHBondContact O-N 3.16Å
516S95.5Very high93.3Very high58 Ų5898.7 Ų98.741%0.40650%0.501SS..Hα-helixtrans-61-44.8174.7-660000112.5R512 L513 Q518 M519 V520R512-S516 PolarHBondContact O-N 3.13Å; R512-S516 PolarHBondContact O-OG 3.19Å; L513-S516 PolarHBondContact O-N 3.31Å; S516-Q518 PolarHBondContact O-N 3.12Å; S516-M519 PolarHBondContact O-N 2.99Å; S516-V520 WeakPolarHBondContact O-CG2 3.43Å; S516-V520 PolarHBondContact O-N 3.03Å
517I95.4Very high93.4Very high93 Ų93100.4 Ų100.448%0.47751%0.507SS..Hα-helixtrans-60.5-46173.9-68.7165.8000110.2L513 R514 M519 V520 C521L513-I517 HydrophobicContact CD1-CD1 3.99Å; L513-I517 HydrophobicContact CD1-CG1 4.28Å; L513-I517 HydrophobicContact CG-CD1 3.92Å; L513-I517 VanDerWaalsContact O-CG1 3.29Å; L513-I517 WeakPolarHBondContact O-CG1 3.18Å; L513-I517 PolarHBondContact O-N 2.66Å; R514-I517 PolarHBondContact O-N 2.99Å; I517-M519 VanDerWaalsContact C-N 3.34Å; I517-M519 PolarHBondContact O-N 3.48Å; I517-V520 PolarHBondContact O-N 2.96Å; I517-C521 PolarHBondContact O-N 3.3Å; I517-C521 PolarHBondContact O-SG 2.95Å
518Q93.9Very high93.5Very high78 Ų7897 Ų9736%0.36450%0.498SS..Hα-helixtrans-62.3-37.3176.8-76.2-176.320.300112.9R514 S515 S516 C521 R522R514-Q518 WeakPolarHBondContact O-CB 3.35Å; R514-Q518 VanDerWaalsContact O-CG 3.31Å; R514-Q518 WeakPolarHBondContact O-CG 3.41Å; R514-Q518 PolarHBondContact O-N 3.3Å; S515-Q518 PolarHBondContact O-N 2.66Å; S516-Q518 PolarHBondContact O-N 3.12Å; Q518-C521 PolarHBondContact O-N 2.95Å; Q518-R522 VanDerWaalsContact O-CB 3.29Å; Q518-R522 WeakPolarHBondContact O-CB 3.46Å; Q518-R522 WeakPolarHBondContact O-CD 3.3Å; Q518-R522 WeakPolarHBondContact O-CG 3.44Å; Q518-R522 PolarHBondContact O-N 3.4Å
519M93.8Very high93.5Very high115 Ų11596.6 Ų96.657%0.56750%0.5SS*.Hα-helixtrans-63.9-44.7173.7-72.5-170.7-66.900111.6S515 S516 I517 R522 S523S515-M519 WeakPolarHBondContact O-CG 3.32Å; S515-M519 PolarHBondContact O-N 3.16Å; S516-M519 PolarHBondContact O-N 2.99Å; I517-M519 VanDerWaalsContact C-N 3.34Å; I517-M519 PolarHBondContact O-N 3.48Å; M519-R522 PolarHBondContact O-N 3.35Å; M519-S523 PolarHBondContact O-N 2.86Å; M519-S523 PolarHBondContact O-OG 3.45Å
520V95.2Very high93.6Very high94 Ų9495.4 Ų95.457%0.5750%0.497SS*.Hα-helixtrans-64.5-40.5176.5173.60000111.7S516 I517 S523 S524S516-V520 WeakPolarHBondContact O-CG2 3.43Å; S516-V520 PolarHBondContact O-N 3.03Å; I517-V520 PolarHBondContact O-N 2.96Å; V520-S523 PolarHBondContact O-N 2.98Å; V520-S523 PolarHBondContact O-OG 3.37Å; V520-S524 VanDerWaalsContact O-CB 3.31Å; V520-S524 WeakPolarHBondContact O-CB 3.41Å; V520-S524 PolarHBondContact O-N 3.41Å; V520-S524 PolarHBondContact O-OG 3.45Å
521C91.6Very high93.7Very high60 Ų6096.7 Ų96.741%0.40550%0.502SS..Hα-helixtrans-65.2-39.5173.3-66.70000112.1I517 Q518 S523 S524 L525I517-C521 PolarHBondContact O-N 3.3Å; I517-C521 PolarHBondContact O-SG 2.95Å; Q518-C521 PolarHBondContact O-N 2.95Å; C521-S523 VanDerWaalsContact C-N 3.33Å; C521-S523 PolarHBondContact O-N 3.46Å; C521-S524 PolarHBondContact O-OG 3.35Å; C521-L525 WeakPolarHBondContact O-CB 3.39Å; C521-L525 WeakPolarHBondContact O-CD1 3.49Å; C521-L525 VanDerWaalsContact O-CG 3.28Å; C521-L525 WeakPolarHBondContact O-CG 3.19Å; C521-L525 PolarHBondContact O-N 2.95Å
522R90.2Very high93.7Very high172 Ų17297.2 Ų97.265%0.64951%0.505SS*.Hα-helixtrans-67.3-28.7177.8-75.6168.4-174172.16.4113.2Q518 M519 P526Q518-R522 VanDerWaalsContact O-CB 3.29Å; Q518-R522 WeakPolarHBondContact O-CB 3.46Å; Q518-R522 WeakPolarHBondContact O-CD 3.3Å; Q518-R522 WeakPolarHBondContact O-CG 3.44Å; Q518-R522 PolarHBondContact O-N 3.4Å; M519-R522 PolarHBondContact O-N 3.35Å; R522-P526 WeakPolarHBondContact O-CD 3.5Å; R522-P526 VanDerWaalsContact O-CG 3.29Å; R522-P526 WeakPolarHBondContact O-CG 3.29Å
523S89.7Confident93.7Very high77 Ų7794.1 Ų94.154%0.53849%0.494SS..Hα-helixtrans-90.5-33.7177.461.70000114.1M519 V520 C521 P526M519-S523 PolarHBondContact O-N 2.86Å; M519-S523 PolarHBondContact O-OG 3.45Å; V520-S523 PolarHBondContact O-N 2.98Å; V520-S523 PolarHBondContact O-OG 3.37Å; C521-S523 VanDerWaalsContact C-N 3.33Å; C521-S523 PolarHBondContact O-N 3.46Å; S523-P526 WeakPolarHBondContact O-CD 3.27Å
524S92.6Very high93.8Very high57 Ų5793.7 Ų93.740%0.39949%0.491SS..Hα-helixtrans-76-35.818053.60000114.1V520 C521 L527 G528V520-S524 VanDerWaalsContact O-CB 3.31Å; V520-S524 WeakPolarHBondContact O-CB 3.41Å; V520-S524 PolarHBondContact O-N 3.41Å; V520-S524 PolarHBondContact O-OG 3.45Å; C521-S524 PolarHBondContact O-OG 3.35Å; S524-L527 WeakPolarHBondContact O-CB 3.32Å; S524-L527 PolarHBondContact O-N 3.03Å; S524-L527 VanDerWaalsContact O-N 3.13Å; S524-G528 PolarHBondContact O-N 2.91Å; S524-G528 VanDerWaalsContact O-N 3.11Å
525L87.8Confident93.9Very high125 Ų12592.6 Ų92.665%0.65449%0.492SS*.Hα-helixtrans-65.2-37.3-179.8-70.5171.1000114.1C521C521-L525 WeakPolarHBondContact O-CB 3.39Å; C521-L525 WeakPolarHBondContact O-CD1 3.49Å; C521-L525 VanDerWaalsContact O-CG 3.28Å; C521-L525 WeakPolarHBondContact O-CG 3.19Å; C521-L525 PolarHBondContact O-N 2.95Å
526P93.3Very high94Very high63 Ų6395.8 Ų95.841%0.40950%0.5SS..Hα-helixtrans-65.8-37.2167.2-24.335.1000113.5R522 S523 G528 K529 I530R522-P526 WeakPolarHBondContact O-CD 3.5Å; R522-P526 VanDerWaalsContact O-CG 3.29Å; R522-P526 WeakPolarHBondContact O-CG 3.29Å; S523-P526 WeakPolarHBondContact O-CD 3.27Å; P526-G528 VanDerWaalsContact C-N 3.34Å; P526-G528 PolarHBondContact O-N 3.38Å; P526-K529 PolarHBondContact O-N 3.38Å; P526-K529 VanDerWaalsContact O-N 3.15Å; P526-I530 WeakPolarHBondContact O-CG1 3.3Å; P526-I530 PolarHBondContact O-N 3.35Å
527L93.3Very high94.1Very high113 Ų11398 Ų9859%0.59251%0.507SS*.Hα-helixtrans-64.2-37.1-178.2-174.262.7000112.3S524 K529 I530 M531S524-L527 WeakPolarHBondContact O-CB 3.32Å; S524-L527 PolarHBondContact O-N 3.03Å; S524-L527 VanDerWaalsContact O-N 3.13Å; L527-K529 VanDerWaalsContact C-N 3.35Å; L527-K529 PolarHBondContact O-N 2.97Å; L527-I530 PolarHBondContact O-N 2.69Å; L527-M531 PolarHBondContact O-N 2.94Å
528G93.7Very high94.2Very high33 Ų3396.9 Ų96.934%0.3451%0.505SS..Hα-helixtrans-56.9-46.4171.400000112.4S524 P526 I530 M531 D532S524-G528 PolarHBondContact O-N 2.91Å; S524-G528 VanDerWaalsContact O-N 3.11Å; P526-G528 VanDerWaalsContact C-N 3.34Å; P526-G528 PolarHBondContact O-N 3.38Å; G528-I530 VanDerWaalsContact C-N 3.3Å; G528-I530 PolarHBondContact O-N 3.02Å; G528-M531 WeakPolarHBondContact O-CA 3.32Å; G528-M531 VanDerWaalsContact O-CB 3.3Å; G528-M531 WeakPolarHBondContact O-CB 3.29Å; G528-M531 PolarHBondContact O-N 3.38Å; G528-D532 PolarHBondContact O-N 2.94Å
529K93.6Very high94.4Very high125 Ų12597.2 Ų97.254%0.54351%0.509SS..Hα-helixtrans-65.8-31.6177.4-62.6177.2-177.5176.40113P526 L527 M531 D532 Y533P526-K529 PolarHBondContact O-N 3.38Å; P526-K529 VanDerWaalsContact O-N 3.15Å; L527-K529 VanDerWaalsContact C-N 3.35Å; L527-K529 PolarHBondContact O-N 2.97Å; K529-M531 VanDerWaalsContact C-N 3.32Å; K529-D532 WeakPolarHBondContact CA-OD2 3.27Å; K529-D532 PolarHBondContact O-N 3.5Å; K529-Y533 HydrophobicContact CB-CE2 4.34Å; K529-Y533 WeakPolarHBondContact O-CD2 3.39Å; K529-Y533 VanDerWaalsContact O-CG 3.27Å; K529-Y533 PolarHBondContact O-N 3.04Å
530I95.9Very high94.6Very high85 Ų8594.1 Ų94.144%0.43650%0.502SS..Hα-helixtrans-67.6-36.2173.2-68.2166.6000110.3P526 L527 G528 Y533 I534P526-I530 WeakPolarHBondContact O-CG1 3.3Å; P526-I530 PolarHBondContact O-N 3.35Å; L527-I530 PolarHBondContact O-N 2.69Å; G528-I530 VanDerWaalsContact C-N 3.3Å; G528-I530 PolarHBondContact O-N 3.02Å; I530-Y533 PolarHBondContact O-N 3.16Å; I530-I534 HydrophobicContact CG2-CD1 3.79Å; I530-I534 HydrophobicContact CG2-CG1 4.42Å; I530-I534 WeakPolarHBondContact O-CB 3.4Å; I530-I534 WeakPolarHBondContact O-CD1 3.45Å; I530-I534 VanDerWaalsContact O-CG1 3.23Å; I530-I534 WeakPolarHBondContact O-CG1 3.48Å; I530-I534 PolarHBondContact O-N 2.91Å
531M95.4Very high94.7Very high125 Ų12595.3 Ų95.362%0.61650%0.503SS*.Hα-helixtrans-65-41.6172.7-166.2178.373.300111.8L527 G528 K529 I534 Q535L527-M531 PolarHBondContact O-N 2.94Å; G528-M531 WeakPolarHBondContact O-CA 3.32Å; G528-M531 VanDerWaalsContact O-CB 3.3Å; G528-M531 WeakPolarHBondContact O-CB 3.29Å; G528-M531 PolarHBondContact O-N 3.38Å; K529-M531 VanDerWaalsContact C-N 3.32Å; M531-I534 PolarHBondContact O-N 3.37Å; M531-Q535 PolarHBondContact O-N 3.15Å
532D95.4Very high95Very high85 Ų8597.5 Ų97.546%0.45551%0.507SS..Hα-helixtrans-58-49.1173.8-56.7-34.2000111G528 K529 I534 Q535 E536G528-D532 PolarHBondContact O-N 2.94Å; K529-D532 WeakPolarHBondContact CA-OD2 3.27Å; K529-D532 PolarHBondContact O-N 3.5Å; D532-I534 PolarHBondContact O-N 3.43Å; D532-Q535 PolarHBondContact O-N 2.93Å; D532-Q535 VanDerWaalsContact O-N 3.16Å; D532-E536 PolarHBondContact O-N 3.4Å
533Y95.7Very high95.4Very high105 Ų10592.1 Ų92.141%0.41250%0.499SS..Hα-helixtrans-63.7-39.6177.8-62.1-41.4000113.2K529 I530 Q535 E536 D537K529-Y533 HydrophobicContact CB-CE2 4.34Å; K529-Y533 WeakPolarHBondContact O-CD2 3.39Å; K529-Y533 VanDerWaalsContact O-CG 3.27Å; K529-Y533 PolarHBondContact O-N 3.04Å; I530-Y533 PolarHBondContact O-N 3.16Å; Y533-Q535 VanDerWaalsContact C-N 3.25Å; Y533-Q535 PolarHBondContact O-N 3.44Å; Y533-E536 PolarHBondContact O-N 3.04Å; Y533-D537 WeakPolarHBondContact O-CB 3.46Å; Y533-D537 PolarHBondContact O-N 3.21Å
534I97.1Very high95.8Very high98 Ų9894.2 Ų94.250%0.50350%0.5SS..Hα-helixtrans-63-35.4175-72.2166.1000110.7I530 M531 D532 V538I530-I534 HydrophobicContact CG2-CD1 3.79Å; I530-I534 HydrophobicContact CG2-CG1 4.42Å; I530-I534 WeakPolarHBondContact O-CB 3.4Å; I530-I534 WeakPolarHBondContact O-CD1 3.45Å; I530-I534 VanDerWaalsContact O-CG1 3.23Å; I530-I534 WeakPolarHBondContact O-CG1 3.48Å; I530-I534 PolarHBondContact O-N 2.91Å; M531-I534 PolarHBondContact O-N 3.37Å; D532-I534 PolarHBondContact O-N 3.43Å; I534-V538 HydrophobicContact CG2-CG2 4.45Å; I534-V538 WeakPolarHBondContact O-CB 3.39Å; I534-V538 WeakPolarHBondContact O-CG2 3.41Å; I534-V538 PolarHBondContact O-N 2.94Å
535Q96.9Very high96Very high122 Ų12295.2 Ų95.257%0.5750%0.501SS*.Hα-helixtrans-69.6-45174.9-172.6172.5-16.700111.8M531 D532 Y533 D537 V538 D539M531-Q535 PolarHBondContact O-N 3.15Å; D532-Q535 PolarHBondContact O-N 2.93Å; D532-Q535 VanDerWaalsContact O-N 3.16Å; Y533-Q535 VanDerWaalsContact C-N 3.25Å; Y533-Q535 PolarHBondContact O-N 3.44Å; Q535-D537 PolarHBondContact O-N 3.05Å; Q535-V538 PolarHBondContact O-N 3.14Å; Q535-D539 PolarHBondContact O-N 3.32Å
536E97.4Very high96.5Very high129 Ų12994.4 Ų94.460%0.60349%0.494SS*.Hα-helixtrans-57.2-45.7173.7-70.8-178.5165.200111.7D532 Y533 A540D532-E536 PolarHBondContact O-N 3.4Å; Y533-E536 PolarHBondContact O-N 3.04Å; E536-A540 VanDerWaalsContact O-CB 3.29Å; E536-A540 WeakPolarHBondContact O-CB 3.49Å; E536-A540 PolarHBondContact O-N 3.29Å
537D98.1Very high96.7Very high103 Ų10393.1 Ų93.155%0.55149%0.486SS*.Hα-helixtrans-64.8-40.6177.5-78.8-20.7000112.4Y533 Q535 A540 M541Y533-D537 WeakPolarHBondContact O-CB 3.46Å; Y533-D537 PolarHBondContact O-N 3.21Å; Q535-D537 PolarHBondContact O-N 3.05Å; D537-A540 PolarHBondContact O-N 3.35Å; D537-M541 HydrophobicContact CB-CE 4.49Å; D537-M541 WeakPolarHBondContact O-CB 3.27Å; D537-M541 WeakPolarHBondContact O-CE 3.41Å; D537-M541 VanDerWaalsContact O-CG 3.32Å; D537-M541 WeakPolarHBondContact O-CG 3.06Å; D537-M541 PolarHBondContact O-N 2.95Å
538V97.9Very high97Very high70 Ų7095.3 Ų95.342%0.42449%0.487SS..Hα-helixtrans-67.5-43.6178165.40000111.6I534 Q535 A540 M541 Q542I534-V538 HydrophobicContact CG2-CG2 4.45Å; I534-V538 WeakPolarHBondContact O-CB 3.39Å; I534-V538 WeakPolarHBondContact O-CG2 3.41Å; I534-V538 PolarHBondContact O-N 2.94Å; Q535-V538 PolarHBondContact O-N 3.14Å; V538-A540 VanDerWaalsContact C-N 3.34Å; V538-M541 HydrophobicContact CG2-CE 4.09Å; V538-M541 PolarHBondContact O-N 3.24Å; V538-Q542 VanDerWaalsContact O-CB 3.27Å; V538-Q542 WeakPolarHBondContact O-CB 3.44Å; V538-Q542 PolarHBondContact O-N 3.06Å
539D97.8Very high97.2Very high86 Ų86101.6 Ų101.646%0.4650%0.5SS..Hα-helixtrans-66.4-37.1176.2-79.8-30.5000111.4Q535 Q542 A543Q535-D539 PolarHBondContact O-N 3.32Å; D539-Q542 PolarHBondContact O-N 3.43Å; D539-A543 WeakPolarHBondContact O-CB 3.45Å; D539-A543 PolarHBondContact O-N 2.93Å
540A97.8Very high97.4Very high50 Ų50102.3 Ų102.341%0.41350%0.5SS..Hα-helixtrans-63.8-50.7173.100000112.4E536 D537 V538 Q542 A543 E544E536-A540 VanDerWaalsContact O-CB 3.29Å; E536-A540 WeakPolarHBondContact O-CB 3.49Å; E536-A540 PolarHBondContact O-N 3.29Å; D537-A540 PolarHBondContact O-N 3.35Å; V538-A540 VanDerWaalsContact C-N 3.34Å; A540-Q542 PolarHBondContact O-N 2.94Å; A540-A543 PolarHBondContact O-N 2.79Å; A540-A543 VanDerWaalsContact O-N 3.15Å; A540-E544 PolarHBondContact O-N 2.92Å
541M97.9Very high97.5Very high119 Ų119101.3 Ų101.359%0.58649%0.493SS*.Hα-helixtrans-58.5-36.9175.3-76.2-173.3-71.300112D537 V538 L545D537-M541 HydrophobicContact CB-CE 4.49Å; D537-M541 WeakPolarHBondContact O-CB 3.27Å; D537-M541 WeakPolarHBondContact O-CE 3.41Å; D537-M541 VanDerWaalsContact O-CG 3.32Å; D537-M541 WeakPolarHBondContact O-CG 3.06Å; D537-M541 PolarHBondContact O-N 2.95Å; V538-M541 HydrophobicContact CG2-CE 4.09Å; V538-M541 PolarHBondContact O-N 3.24Å; M541-L545 VanDerWaalsContact O-CB 3.3Å; M541-L545 WeakPolarHBondContact O-CB 3.49Å; M541-L545 PolarHBondContact O-N 2.9Å
542Q97.9Very high97.7Very high105 Ų105100.9 Ų100.949%0.49149%0.493SS..Hα-helixtrans-71.9-35.4177.6-174.6159.7-104.600112.4V538 D539 A540 Q546V538-Q542 VanDerWaalsContact O-CB 3.27Å; V538-Q542 WeakPolarHBondContact O-CB 3.44Å; V538-Q542 PolarHBondContact O-N 3.06Å; D539-Q542 PolarHBondContact O-N 3.43Å; A540-Q542 PolarHBondContact O-N 2.94Å; Q542-Q546 WeakPolarHBondContact O-CG 3.29Å; Q542-Q546 PolarHBondContact O-N 3.13Å; Q542-Q546 VanDerWaalsContact O-N 3.09Å
543A98.1Very high97.8Very high59 Ų59103.3 Ų103.349%0.48850%0.5SS..Hα-helixtrans-67-44.2172.600000111.9D539 A540 Q546 S547D539-A543 WeakPolarHBondContact O-CB 3.45Å; D539-A543 PolarHBondContact O-N 2.93Å; A540-A543 PolarHBondContact O-N 2.79Å; A540-A543 VanDerWaalsContact O-N 3.15Å; A543-Q546 PolarHBondContact O-N 2.86Å; A543-S547 PolarHBondContact O-N 3.33Å
544E98.2Very high97.9Very high121 Ų121104 Ų10457%0.56551%0.507SS*.Hα-helixtrans-58.8-49.8172.8-75.1-167.6-166.600111.3A540 Q546 S547 W548A540-E544 PolarHBondContact O-N 2.92Å; E544-Q546 PolarHBondContact O-N 3.42Å; E544-S547 CarbonylContact O-C 3.57Å; E544-S547 WeakPolarHBondContact O-CA 3.21Å; E544-S547 WeakPolarHBondContact O-CB 3.35Å; E544-S547 PolarHBondContact O-N 3.5Å; E544-W548 PolarHBondContact O-N 3.02Å
545L97.8Very high97.9Very high79 Ų79105.3 Ų105.341%0.41451%0.51SS..Hα-helixtrans-57.1-35.1177.817961.6000112.5M541 R549M541-L545 VanDerWaalsContact O-CB 3.3Å; M541-L545 WeakPolarHBondContact O-CB 3.49Å; M541-L545 PolarHBondContact O-N 2.9Å; L545-R549 WeakPolarHBondContact O-CB 3.34Å; L545-R549 WeakPolarHBondContact O-CD 3.36Å; L545-R549 WeakPolarHBondContact O-CG 3.39Å; L545-R549 PolarHBondContact O-N 3.17Å; L545-R549 VanDerWaalsContact O-N 3.07Å
546Q98Very high98Very high108 Ų108102.1 Ų102.151%0.50551%0.505SS..Hα-helixtrans-70.8-34.2173.4-73.517940.200112.7Q542 A543 E544 R550Q542-Q546 WeakPolarHBondContact O-CG 3.29Å; Q542-Q546 PolarHBondContact O-N 3.13Å; Q542-Q546 VanDerWaalsContact O-N 3.09Å; A543-Q546 PolarHBondContact O-N 2.86Å; E544-Q546 PolarHBondContact O-N 3.42Å; Q546-R550 PolarHBondContact O-N 3.37Å; Q546-R550 VanDerWaalsContact O-N 3.1Å
547S97.9Very high98Very high35 Ų35101.1 Ų101.125%0.24550%0.5CS..Hα-helixtrans-69-50.3173.9-146.80000111.7A543 E544 R549 R550 E551A543-S547 PolarHBondContact O-N 3.33Å; E544-S547 CarbonylContact O-C 3.57Å; E544-S547 WeakPolarHBondContact O-CA 3.21Å; E544-S547 WeakPolarHBondContact O-CB 3.35Å; E544-S547 PolarHBondContact O-N 3.5Å; S547-R549 PolarHBondContact O-N 2.93Å; S547-R550 WeakPolarHBondContact O-CA 3.44Å; S547-R550 WeakPolarHBondContact O-CB 3.38Å; S547-R550 PolarHBondContact O-N 2.9Å; S547-R550 PolarHBondContact OG-NH1 3.24Å; S547-E551 VanDerWaalsContact C-OE1 3.31Å; S547-E551 VanDerWaalsContact CB-OE1 3.23Å; S547-E551 WeakPolarHBondContact CB-OE1 3.38Å; S547-E551 WeakPolarHBondContact O-CG 3.34Å; S547-E551 PolarHBondContact O-N 3.46Å; S547-E551 PolarHBondContact OG-OE1 3.13Å
548W98.1Very high98Very high160 Ų16098.2 Ų98.261%0.60649%0.491SS*.Hα-helixtrans-55.1-38174.6-67.1118.7000112.6E544 N552E544-W548 PolarHBondContact O-N 3.02Å; W548-N552 WeakPolarHBondContact O-CB 3.37Å; W548-N552 PolarHBondContact O-N 3.11Å
549R98.4Very high98Very high165 Ų165100 Ų10062%0.62350%0.497SS*.Hα-helixtrans-67.7-35173.7-77.5171176177.50.3113.3L545 S547 K553L545-R549 WeakPolarHBondContact O-CB 3.34Å; L545-R549 WeakPolarHBondContact O-CD 3.36Å; L545-R549 WeakPolarHBondContact O-CG 3.39Å; L545-R549 PolarHBondContact O-N 3.17Å; L545-R549 VanDerWaalsContact O-N 3.07Å; S547-R549 PolarHBondContact O-N 2.93Å; R549-K553 WeakPolarHBondContact O-CB 3.43Å; R549-K553 PolarHBondContact O-N 3.24Å
550R98.3Very high98Very high140 Ų14099.6 Ų99.653%0.52849%0.494SS..Hα-helixtrans-70.4-51.7176.4-165.3-168.3-47.3101.35.2110.6Q546 S547 N552 K553 E554Q546-R550 PolarHBondContact O-N 3.37Å; Q546-R550 VanDerWaalsContact O-N 3.1Å; S547-R550 WeakPolarHBondContact O-CA 3.44Å; S547-R550 WeakPolarHBondContact O-CB 3.38Å; S547-R550 PolarHBondContact O-N 2.9Å; S547-R550 PolarHBondContact OG-NH1 3.24Å; R550-N552 PolarHBondContact O-N 3.03Å; R550-K553 WeakPolarHBondContact O-CB 3.33Å; R550-K553 PolarHBondContact O-N 3.45Å; R550-K553 VanDerWaalsContact O-N 3.11Å; R550-E554 WeakPolarHBondContact O-CB 3.26Å; R550-E554 PolarHBondContact O-N 3.49Å
551E98.1Very high98Very high63 Ų63102.8 Ų102.829%0.29450%0.501SS..Hα-helixtrans-60.4-44.2178.8-69.4155.7-132.200111.3S547 K553 E554 H555S547-E551 VanDerWaalsContact C-OE1 3.31Å; S547-E551 VanDerWaalsContact CB-OE1 3.23Å; S547-E551 WeakPolarHBondContact CB-OE1 3.38Å; S547-E551 WeakPolarHBondContact O-CG 3.34Å; S547-E551 PolarHBondContact O-N 3.46Å; S547-E551 PolarHBondContact OG-OE1 3.13Å; E551-K553 VanDerWaalsContact C-N 3.31Å; E551-K553 PolarHBondContact O-N 3.02Å; E551-E554 PolarHBondContact O-N 3.3Å; E551-H555 WeakPolarHBondContact O-CB 3.45Å; E551-H555 PolarHBondContact O-CD2 3.29Å; E551-H555 VanDerWaalsContact O-CD2 3.28Å; E551-H555 VanDerWaalsContact O-CG 3.24Å; E551-H555 PolarHBondContact O-N 3.09Å
552N98.1Very high97.9Very high116 Ų116102.5 Ų102.562%0.6250%0.498SS*.Hα-helixtrans-64.5-34175.4-174.570.1000112.8W548 R550 A556W548-N552 WeakPolarHBondContact O-CB 3.37Å; W548-N552 PolarHBondContact O-N 3.11Å; R550-N552 PolarHBondContact O-N 3.03Å; N552-A556 VanDerWaalsContact O-CB 3.26Å; N552-A556 WeakPolarHBondContact O-CB 3.47Å; N552-A556 PolarHBondContact O-N 3.3Å
553K98.3Very high97.8Very high136 Ų136102.2 Ų102.259%0.59150%0.497SS*.Hα-helixtrans-68.9-41.9173.2-177.4-176175.8-173.90111.4R549 R550 E551 A556 Q557R549-K553 WeakPolarHBondContact O-CB 3.43Å; R549-K553 PolarHBondContact O-N 3.24Å; R550-K553 WeakPolarHBondContact O-CB 3.33Å; R550-K553 PolarHBondContact O-N 3.45Å; R550-K553 VanDerWaalsContact O-N 3.11Å; E551-K553 VanDerWaalsContact C-N 3.31Å; E551-K553 PolarHBondContact O-N 3.02Å; K553-A556 PolarHBondContact O-N 2.95Å; K553-Q557 WeakPolarHBondContact O-CG 3.45Å; K553-Q557 PolarHBondContact O-N 3.02Å
554E98.1Very high97.8Very high120 Ų120106.6 Ų106.656%0.56150%0.501SS*.Hα-helixtrans-64.9-46.5177.8-172.7173.5165.900111.3R550 E551 A556 Q557 A558R550-E554 WeakPolarHBondContact O-CB 3.26Å; R550-E554 PolarHBondContact O-N 3.49Å; E551-E554 PolarHBondContact O-N 3.3Å; E554-A556 PolarHBondContact O-N 2.97Å; E554-Q557 WeakPolarHBondContact O-CB 3.48Å; E554-Q557 PolarHBondContact O-N 3Å; E554-Q557 VanDerWaalsContact O-N 3.13Å; E554-A558 PolarHBondContact O-N 2.85Å
555H97.6Very high97.8Very high125 Ų125105 Ų10558%0.57950%0.495SS*.Hα-helixtrans-63.1-37173.5-66.3-30.9000112.9E551 Q557 A558 L559E551-H555 WeakPolarHBondContact O-CB 3.45Å; E551-H555 PolarHBondContact O-CD2 3.29Å; E551-H555 VanDerWaalsContact O-CD2 3.28Å; E551-H555 VanDerWaalsContact O-CG 3.24Å; E551-H555 PolarHBondContact O-N 3.09Å; H555-Q557 VanDerWaalsContact C-N 3.33Å; H555-A558 PolarHBondContact O-N 2.92Å; H555-L559 VanDerWaalsContact O-CB 3.3Å; H555-L559 WeakPolarHBondContact O-CB 3.45Å; H555-L559 PolarHBondContact O-N 3.08Å
556A98.2Very high97.7Very high55 Ų55104.9 Ų104.946%0.45550%0.498SS..Hα-helixtrans-66.4-34.3172.800000112.5N552 K553 E554 L560N552-A556 VanDerWaalsContact O-CB 3.26Å; N552-A556 WeakPolarHBondContact O-CB 3.47Å; N552-A556 PolarHBondContact O-N 3.3Å; K553-A556 PolarHBondContact O-N 2.95Å; E554-A556 PolarHBondContact O-N 2.97Å; A556-L560 WeakPolarHBondContact O-CB 3.49Å; A556-L560 PolarHBondContact O-N 3.26Å
557Q97.9Very high97.6Very high109 Ų109104.5 Ų104.551%0.50950%0.499SS..Hα-helixtrans-71.6-40.9173.7-74.1178.8-32.400112K553 E554 H555 L560 Q561K553-Q557 WeakPolarHBondContact O-CG 3.45Å; K553-Q557 PolarHBondContact O-N 3.02Å; E554-Q557 WeakPolarHBondContact O-CB 3.48Å; E554-Q557 PolarHBondContact O-N 3Å; E554-Q557 VanDerWaalsContact O-N 3.13Å; H555-Q557 VanDerWaalsContact C-N 3.33Å; Q557-L560 PolarHBondContact O-N 3.38Å; Q557-Q561 WeakPolarHBondContact O-CG 3.5Å; Q557-Q561 PolarHBondContact O-N 3.16Å
558A97.6Very high97.6Very high42 Ų42111.6 Ų111.635%0.34752%0.521SS..Hα-helixtrans-63.5-46.8174.700000111.6E554 H555 L560 Q561 E562E554-A558 PolarHBondContact O-N 2.85Å; H555-A558 PolarHBondContact O-N 2.92Å; A558-L560 VanDerWaalsContact C-N 3.25Å; A558-L560 PolarHBondContact O-N 3.01Å; A558-Q561 WeakPolarHBondContact O-CA 3.23Å; A558-Q561 WeakPolarHBondContact O-CB 3.48Å; A558-Q561 PolarHBondContact O-N 3.3Å; A558-E562 WeakPolarHBondContact O-CG 3.41Å; A558-E562 PolarHBondContact O-N 3.03Å
559L97.6Very high97.5Very high107 Ų107108.2 Ų108.256%0.5652%0.518SS*.Hα-helixtrans-54-42.9174.6-176.872.7000111.9H555 Q561 E562 Q563H555-L559 VanDerWaalsContact O-CB 3.3Å; H555-L559 WeakPolarHBondContact O-CB 3.45Å; H555-L559 PolarHBondContact O-N 3.08Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; L559-E562 PolarHBondContact O-N 3.14Å; L559-Q563 WeakPolarHBondContact O-CB 3.17Å; L559-Q563 VanDerWaalsContact O-CG 3.26Å; L559-Q563 WeakPolarHBondContact O-CG 3.36Å; L559-Q563 PolarHBondContact O-N 3.15Å
560L98Very high97.4Very high77 Ų77103.3 Ų103.340%0.40351%0.506SS..Hα-helixtrans-72.6-26.7179.4-167.3149.7000112.5A556 Q557 A558 R564A556-L560 WeakPolarHBondContact O-CB 3.49Å; A556-L560 PolarHBondContact O-N 3.26Å; Q557-L560 PolarHBondContact O-N 3.38Å; A558-L560 VanDerWaalsContact C-N 3.25Å; A558-L560 PolarHBondContact O-N 3.01Å; L560-R564 VanDerWaalsContact CD2-CZ 3.44Å; L560-R564 VanDerWaalsContact O-CG 3.27Å; L560-R564 WeakPolarHBondContact O-CG 3.3Å; L560-R564 PolarHBondContact O-N 3.16Å
561Q97.5Very high97.3Very high117 Ų117103.1 Ų103.155%0.54751%0.511SS..Hα-helixtrans-72.2-47.1170.1-71.2172.718.200111.4Q557 A558 L559 Q563 R564 I565Q557-Q561 WeakPolarHBondContact O-CG 3.5Å; Q557-Q561 PolarHBondContact O-N 3.16Å; A558-Q561 WeakPolarHBondContact O-CA 3.23Å; A558-Q561 WeakPolarHBondContact O-CB 3.48Å; A558-Q561 PolarHBondContact O-N 3.3Å; L559-Q561 VanDerWaalsContact C-N 3.34Å; Q561-Q563 VanDerWaalsContact C-N 3.33Å; Q561-Q563 PolarHBondContact O-N 3.23Å; Q561-R564 PolarHBondContact O-N 3.01Å; Q561-R564 VanDerWaalsContact O-N 3.16Å; Q561-I565 VanDerWaalsContact O-CG1 3.32Å; Q561-I565 WeakPolarHBondContact O-CG1 3.35Å; Q561-I565 PolarHBondContact O-N 3.24Å
562E95.7Very high97.3Very high114 Ų114103.6 Ų103.653%0.53352%0.52SS..Hα-helixtrans-61.6-38.8175.9-67.2-55.9134.900112.2A558 L559 I565 T566A558-E562 WeakPolarHBondContact O-CG 3.41Å; A558-E562 PolarHBondContact O-N 3.03Å; L559-E562 PolarHBondContact O-N 3.14Å; E562-I565 PolarHBondContact O-N 2.89Å; E562-T566 WeakPolarHBondContact O-CB 3.47Å; E562-T566 PolarHBondContact O-N 3.48Å; E562-T566 PolarHBondContact O-OG1 3.43Å
563Q96.6Very high97.2Very high98 Ų98102.9 Ų102.946%0.45852%0.515SS..Hα-helixtrans-57.6-53.8170-77.8171-17.200110.9L559 Q561 I565 T566 D567L559-Q563 WeakPolarHBondContact O-CB 3.17Å; L559-Q563 VanDerWaalsContact O-CG 3.26Å; L559-Q563 WeakPolarHBondContact O-CG 3.36Å; L559-Q563 PolarHBondContact O-N 3.15Å; Q561-Q563 VanDerWaalsContact C-N 3.33Å; Q561-Q563 PolarHBondContact O-N 3.23Å; Q563-I565 VanDerWaalsContact C-N 3.26Å; Q563-I565 PolarHBondContact O-N 3.5Å; Q563-T566 CarbonylContact O-C 3.59Å; Q563-T566 WeakPolarHBondContact O-CA 3.38Å; Q563-T566 WeakPolarHBondContact O-CB 3.06Å; Q563-T566 PolarHBondContact O-N 2.66Å; Q563-D567 PolarHBondContact O-N 2.86Å
564R97.8Very high97.1Very high151 Ų151100.8 Ų100.857%0.5751%0.51SS*.Hα-helixtrans-60.6-31.3177.7-74.6170.6172.9179-1.3114.2L560 Q561 R568L560-R564 VanDerWaalsContact CD2-CZ 3.44Å; L560-R564 VanDerWaalsContact O-CG 3.27Å; L560-R564 WeakPolarHBondContact O-CG 3.3Å; L560-R564 PolarHBondContact O-N 3.16Å; Q561-R564 PolarHBondContact O-N 3.01Å; Q561-R564 VanDerWaalsContact O-N 3.16Å; R564-R568 WeakPolarHBondContact O-CB 3.29Å; R564-R568 VanDerWaalsContact O-CD 3.31Å; R564-R568 WeakPolarHBondContact O-CD 3.48Å; R564-R568 WeakPolarHBondContact O-CG 3.27Å; R564-R568 PolarHBondContact O-N 3.41Å
565I97.3Very high97.1Very high87 Ų8797.4 Ų97.445%0.44650%0.503SS..Hα-helixtrans-70.1-44.8173.9-69163.1000109.5Q561 E562 Q563 R568 V569Q561-I565 VanDerWaalsContact O-CG1 3.32Å; Q561-I565 WeakPolarHBondContact O-CG1 3.35Å; Q561-I565 PolarHBondContact O-N 3.24Å; E562-I565 PolarHBondContact O-N 2.89Å; Q563-I565 VanDerWaalsContact C-N 3.26Å; Q563-I565 PolarHBondContact O-N 3.5Å; I565-R568 PolarHBondContact O-N 3.36Å; I565-V569 WeakPolarHBondContact O-CG2 3.46Å; I565-V569 PolarHBondContact O-N 3.16Å; I565-V569 VanDerWaalsContact O-N 3.17Å
566T96.9Very high97.1Very high78 Ų7896.9 Ų96.948%0.47950%0.501SS..Hα-helixtrans-60.1-49.5175.5-54.20000111.1E562 Q563 R568 V569 V570E562-T566 WeakPolarHBondContact O-CB 3.47Å; E562-T566 PolarHBondContact O-N 3.48Å; E562-T566 PolarHBondContact O-OG1 3.43Å; Q563-T566 CarbonylContact O-C 3.59Å; Q563-T566 WeakPolarHBondContact O-CA 3.38Å; Q563-T566 WeakPolarHBondContact O-CB 3.06Å; Q563-T566 PolarHBondContact O-N 2.66Å; T566-R568 VanDerWaalsContact C-N 3.33Å; T566-R568 PolarHBondContact O-N 2.95Å; T566-V569 PolarHBondContact O-N 3.46Å; T566-V570 HydrophobicContact CG2-CG2 4.19Å; T566-V570 WeakPolarHBondContact O-CB 3.48Å; T566-V570 WeakPolarHBondContact O-CG2 3.49Å; T566-V570 PolarHBondContact O-N 3.41Å
567D96.6Very high97Very high100 Ų10099 Ų9954%0.53550%0.504SS..Hα-helixtrans-54.9-47.9178.4-61.8-31000110.9Q563 V569 V570 E571Q563-D567 PolarHBondContact O-N 2.86Å; D567-V569 VanDerWaalsContact C-N 3.28Å; D567-V569 PolarHBondContact O-N 2.86Å; D567-V570 PolarHBondContact O-N 3.26Å; D567-E571 VanDerWaalsContact O-CB 3.25Å; D567-E571 WeakPolarHBondContact O-CB 3.45Å; D567-E571 PolarHBondContact O-N 2.99Å
568R96.3Very high97Very high183 Ų18398.5 Ų98.569%0.69151%0.508SS*.Hα-helixtrans-64.4-25.5177.8-75.8169172.8-173.6-4.9114.8R564 I565 T566 P572R564-R568 WeakPolarHBondContact O-CB 3.29Å; R564-R568 VanDerWaalsContact O-CD 3.31Å; R564-R568 WeakPolarHBondContact O-CD 3.48Å; R564-R568 WeakPolarHBondContact O-CG 3.27Å; R564-R568 PolarHBondContact O-N 3.41Å; I565-R568 PolarHBondContact O-N 3.36Å; T566-R568 VanDerWaalsContact C-N 3.33Å; T566-R568 PolarHBondContact O-N 2.95Å; R568-P572 WeakPolarHBondContact O-CD 3.4Å
569V96.4Very high97Very high90 Ų90103.3 Ų103.355%0.54552%0.523SS..Hα-helixtrans-86.8-31.1176.6171.80000110.9I565 T566 D567I565-V569 WeakPolarHBondContact O-CG2 3.46Å; I565-V569 PolarHBondContact O-N 3.16Å; I565-V569 VanDerWaalsContact O-N 3.17Å; T566-V569 PolarHBondContact O-N 3.46Å; D567-V569 VanDerWaalsContact C-N 3.28Å; D567-V569 PolarHBondContact O-N 2.86Å
570V96.8Very high97Very high61 Ų61102.5 Ų102.537%0.3752%0.519SS..Hα-helixtrans-82.9-31.9179.4170.20000112.4T566 D567 L573 N574T566-V570 HydrophobicContact CG2-CG2 4.19Å; T566-V570 WeakPolarHBondContact O-CB 3.48Å; T566-V570 WeakPolarHBondContact O-CG2 3.49Å; T566-V570 PolarHBondContact O-N 3.41Å; D567-V570 PolarHBondContact O-N 3.26Å; V570-L573 PolarHBondContact O-N 3.24Å; V570-N574 WeakPolarHBondContact CG1-ND2 3.36Å; V570-N574 PolarHBondContact O-N 3.5Å
571E96.7Very high97Very high136 Ų136102.5 Ų102.564%0.63652%0.52SS*.Hα-helixtrans-52-52.9176.6-179171-149.800114.1D567 L573 N574 A575D567-E571 VanDerWaalsContact O-CB 3.25Å; D567-E571 WeakPolarHBondContact O-CB 3.45Å; D567-E571 PolarHBondContact O-N 2.99Å; E571-L573 PolarHBondContact O-N 3.23Å; E571-N574 PolarHBondContact O-N 2.89Å; E571-A575 PolarHBondContact O-N 3.49Å
572P97.3Very high97Very high74 Ų74101.2 Ų101.248%0.48151%0.514SS..Hα-helixtrans-67.4-32.8177.426.5-35.2000113.2R568 A575 E576R568-P572 WeakPolarHBondContact O-CD 3.4Å; P572-A575 WeakPolarHBondContact O-CB 3.49Å; P572-A575 PolarHBondContact O-N 3.07Å; P572-E576 PolarHBondContact O-N 2.84Å
573L96.1Very high97.2Very high100 Ų100100 Ų10052%0.52451%0.511SS..Hα-helixtrans-68.8-36.3176.6-65.1173000111.6V570 E571 L577V570-L573 PolarHBondContact O-N 3.24Å; E571-L573 PolarHBondContact O-N 3.23Å; L573-L577 WeakPolarHBondContact O-CB 3.5Å; L573-L577 PolarHBondContact O-N 3.43Å
574N96.9Very high97.2Very high92 Ų9299.6 Ų99.649%0.49251%0.51SS..Hα-helixtrans-67-37171.4-74.5-19.2000111.7V570 E571 L577 V578V570-N574 WeakPolarHBondContact CG1-ND2 3.36Å; V570-N574 PolarHBondContact O-N 3.5Å; E571-N574 PolarHBondContact O-N 2.89Å; N574-L577 PolarHBondContact O-N 3.21Å; N574-V578 WeakPolarHBondContact O-CG2 3.49Å; N574-V578 PolarHBondContact O-N 3.32Å
575A96.9Very high97.3Very high49 Ų4997 Ų9741%0.40550%0.503SS..Hα-helixtrans-64.9-48175.100000111.7E571 P572 L577 V578 E579E571-A575 PolarHBondContact O-N 3.49Å; P572-A575 WeakPolarHBondContact O-CB 3.49Å; P572-A575 PolarHBondContact O-N 3.07Å; A575-L577 VanDerWaalsContact C-N 3.3Å; A575-L577 PolarHBondContact O-N 3.34Å; A575-V578 PolarHBondContact O-N 3.01Å; A575-V578 VanDerWaalsContact O-N 3.14Å; A575-E579 PolarHBondContact O-N 2.88Å
576E97.6Very high97.3Very high114 Ų11495.8 Ų95.853%0.53350%0.498SS..Hα-helixtrans-58-41.2174.7-175.2179.2-176.400111.8P572 V578 E579 L580P572-E576 PolarHBondContact O-N 2.84Å; E576-V578 PolarHBondContact O-N 2.7Å; E576-E579 PolarHBondContact O-N 2.89Å; E576-L580 HydrophobicContact CG-CD1 4.22Å; E576-L580 WeakPolarHBondContact O-CB 3.45Å; E576-L580 VanDerWaalsContact O-CG 3.3Å; E576-L580 WeakPolarHBondContact O-CG 3.14Å; E576-L580 PolarHBondContact O-N 2.81Å
577L96.9Very high97.3Very high99 Ų9996.7 Ų96.752%0.51850%0.497SS..Hα-helixtrans-62.6-42.7175.9-163161.2000111.6L573 N574 A575 L580 D581L573-L577 WeakPolarHBondContact O-CB 3.5Å; L573-L577 PolarHBondContact O-N 3.43Å; N574-L577 PolarHBondContact O-N 3.21Å; A575-L577 VanDerWaalsContact C-N 3.3Å; A575-L577 PolarHBondContact O-N 3.34Å; L577-L580 PolarHBondContact O-N 3.42Å; L577-D581 WeakPolarHBondContact O-CB 3.29Å; L577-D581 PolarHBondContact O-N 2.86Å
578V98.1Very high97.4Very high99 Ų9997.2 Ų97.260%0.650%0.496SS*.Hα-helixtrans-66.4-38.5175.8169.20000112.1N574 A575 E576 D581 Q582N574-V578 WeakPolarHBondContact O-CG2 3.49Å; N574-V578 PolarHBondContact O-N 3.32Å; A575-V578 PolarHBondContact O-N 3.01Å; A575-V578 VanDerWaalsContact O-N 3.14Å; E576-V578 PolarHBondContact O-N 2.7Å; V578-D581 PolarHBondContact O-N 3.2Å; V578-Q582 PolarHBondContact O-N 3.22Å
579E97.9Very high97.5Very high143 Ų14393.6 Ų93.667%0.66849%0.49SS*.Hα-helixtrans-64.1-42.6174-73.2-175.6-175.200111.7A575 E576 Q582 L583A575-E579 PolarHBondContact O-N 2.88Å; E576-E579 PolarHBondContact O-N 2.89Å; E579-Q582 PolarHBondContact O-N 3.27Å; E579-L583 WeakPolarHBondContact O-CB 3.46Å; E579-L583 PolarHBondContact O-N 2.86Å
580L97.7Very high97.5Very high90 Ų9094.1 Ų94.147%0.47149%0.485SS..Hα-helixtrans-65.3-42.6175.2-71.6171.3000112.1E576 L577 Q582 L583 I584E576-L580 HydrophobicContact CG-CD1 4.22Å; E576-L580 WeakPolarHBondContact O-CB 3.45Å; E576-L580 VanDerWaalsContact O-CG 3.3Å; E576-L580 WeakPolarHBondContact O-CG 3.14Å; E576-L580 PolarHBondContact O-N 2.81Å; L577-L580 PolarHBondContact O-N 3.42Å; L580-Q582 VanDerWaalsContact C-N 3.29Å; L580-Q582 PolarHBondContact O-N 2.99Å; L580-L583 PolarHBondContact O-N 3.22Å; L580-I584 WeakPolarHBondContact O-CB 3.31Å; L580-I584 VanDerWaalsContact O-CG1 3.25Å; L580-I584 WeakPolarHBondContact O-CG1 3.39Å; L580-I584 PolarHBondContact O-N 2.86Å
581D98.1Very high97.6Very high77 Ų7795.3 Ų95.341%0.41249%0.488SS..Hα-helixtrans-62.2-36174.4-100.8-5.5000112.1L577 V578 K585L577-D581 WeakPolarHBondContact O-CB 3.29Å; L577-D581 PolarHBondContact O-N 2.86Å; V578-D581 PolarHBondContact O-N 3.2Å; D581-K585 WeakPolarHBondContact O-CG 3.28Å; D581-K585 PolarHBondContact O-N 2.93Å; D581-K585 VanDerWaalsContact O-N 3.17Å
582Q97.8Very high97.6Very high90 Ų9092.3 Ų92.342%0.42148%0.482SS..Hα-helixtrans-71.1-43.2174-171.954.844.700111.5V578 E579 L580 I584 K585 D586V578-Q582 PolarHBondContact O-N 3.22Å; E579-Q582 PolarHBondContact O-N 3.27Å; L580-Q582 VanDerWaalsContact C-N 3.29Å; L580-Q582 PolarHBondContact O-N 2.99Å; Q582-I584 VanDerWaalsContact C-N 3.25Å; Q582-I584 PolarHBondContact O-N 2.84Å; Q582-K585 WeakPolarHBondContact O-CB 3.45Å; Q582-K585 PolarHBondContact O-N 3.31Å; Q582-K585 VanDerWaalsContact O-N 3.13Å; Q582-D586 PolarHBondContact NE2-OD1 3.25Å; Q582-D586 WeakPolarHBondContact O-CB 3.47Å; Q582-D586 PolarHBondContact O-N 2.85Å
583L98.3Very high97.6Very high90 Ų9091.3 Ų91.347%0.47148%0.48SS..Hα-helixtrans-59.5-36.8174.3-178.560.7000111.9E579 L580 D586 Q587E579-L583 WeakPolarHBondContact O-CB 3.46Å; E579-L583 PolarHBondContact O-N 2.86Å; L580-L583 PolarHBondContact O-N 3.22Å; L583-D586 PolarHBondContact O-N 3.38Å; L583-Q587 VanDerWaalsContact O-CG 3.26Å; L583-Q587 WeakPolarHBondContact O-CG 3.42Å; L583-Q587 PolarHBondContact O-N 3.37Å
584I97.9Very high97.7Very high88 Ų8890.5 Ų90.545%0.45148%0.479SS..Hα-helixtrans-63.9-45.2174.5-72.9164.6000110.9L580 Q582 Q587 Q588L580-I584 WeakPolarHBondContact O-CB 3.31Å; L580-I584 VanDerWaalsContact O-CG1 3.25Å; L580-I584 WeakPolarHBondContact O-CG1 3.39Å; L580-I584 PolarHBondContact O-N 2.86Å; Q582-I584 VanDerWaalsContact C-N 3.25Å; Q582-I584 PolarHBondContact O-N 2.84Å; I584-Q587 PolarHBondContact O-N 3.31Å; I584-Q588 WeakPolarHBondContact O-CG 3.48Å; I584-Q588 PolarHBondContact O-N 3.23Å
585K98.2Very high97.7Very high97 Ų9792 Ų9242%0.42248%0.481SS..Hα-helixtrans-61.1-48.6174.9-67.3161.6-162.11550111.4D581 Q582 Q587 Q588 D589D581-K585 WeakPolarHBondContact O-CG 3.28Å; D581-K585 PolarHBondContact O-N 2.93Å; D581-K585 VanDerWaalsContact O-N 3.17Å; Q582-K585 WeakPolarHBondContact O-CB 3.45Å; Q582-K585 PolarHBondContact O-N 3.31Å; Q582-K585 VanDerWaalsContact O-N 3.13Å; K585-Q587 PolarHBondContact O-N 3.07Å; K585-Q588 CarbonylContact O-C 3.59Å; K585-Q588 WeakPolarHBondContact O-CA 3.26Å; K585-Q588 WeakPolarHBondContact O-CB 3.28Å; K585-Q588 PolarHBondContact O-N 3.47Å; K585-D589 PolarHBondContact O-N 2.74Å
586D97.9Very high97.8Very high62 Ų6292 Ų9233%0.33248%0.478SS..Hα-helixtrans-54-37.9175.9-86.337.9000112.7Q582 L583 K590Q582-D586 PolarHBondContact NE2-OD1 3.25Å; Q582-D586 WeakPolarHBondContact O-CB 3.47Å; Q582-D586 PolarHBondContact O-N 2.85Å; L583-D586 PolarHBondContact O-N 3.38Å; D586-K590 WeakPolarHBondContact O-CD 3.29Å; D586-K590 WeakPolarHBondContact O-CE 3.24Å; D586-K590 WeakPolarHBondContact O-CG 3.42Å; D586-K590 PolarHBondContact O-N 3.48Å; D586-K590 VanDerWaalsContact O-N 3.13Å; D586-K590 IonicContact OD2-NZ 2.6Å
587Q97.7Very high97.7Very high97 Ų9790.6 Ų90.645%0.45347%0.474SS..Hα-helixtrans-76.2-36.6175.1-65.2-64.8-3.800112.5L583 I584 K585 D589 K590 I591L583-Q587 VanDerWaalsContact O-CG 3.26Å; L583-Q587 WeakPolarHBondContact O-CG 3.42Å; L583-Q587 PolarHBondContact O-N 3.37Å; I584-Q587 PolarHBondContact O-N 3.31Å; K585-Q587 PolarHBondContact O-N 3.07Å; Q587-D589 VanDerWaalsContact C-N 3.34Å; Q587-K590 PolarHBondContact O-N 2.84Å; Q587-I591 WeakPolarHBondContact O-CB 3.31Å; Q587-I591 WeakPolarHBondContact O-CD1 3.45Å; Q587-I591 VanDerWaalsContact O-CG1 3.23Å; Q587-I591 WeakPolarHBondContact O-CG1 3.45Å; Q587-I591 PolarHBondContact O-N 3.43Å
588Q97.9Very high97.7Very high110 Ų11090 Ų9051%0.51447%0.47SS..Hα-helixtrans-61.4-42.5172.1-71.1175.118.800111.4I584 K585 I591 C592I584-Q588 WeakPolarHBondContact O-CG 3.48Å; I584-Q588 PolarHBondContact O-N 3.23Å; K585-Q588 CarbonylContact O-C 3.59Å; K585-Q588 WeakPolarHBondContact O-CA 3.26Å; K585-Q588 WeakPolarHBondContact O-CB 3.28Å; K585-Q588 PolarHBondContact O-N 3.47Å; Q588-I591 CarbonylContact O-C 3.36Å; Q588-I591 WeakPolarHBondContact O-CB 3.23Å; Q588-I591 PolarHBondContact O-N 2.87Å; Q588-C592 WeakPolarHBondContact O-CB 3.4Å; Q588-C592 PolarHBondContact O-N 3.41Å; Q588-C592 PolarHBondContact O-SG 3.29Å
589D97.9Very high97.7Very high108 Ų10890.8 Ų90.858%0.57847%0.471SS*.Hα-helixtrans-67.3-40.1176.9-75.2-25000112.3K585 Q587 I591 C592 A593K585-D589 PolarHBondContact O-N 2.74Å; Q587-D589 VanDerWaalsContact C-N 3.34Å; D589-I591 VanDerWaalsContact C-N 3.33Å; D589-I591 PolarHBondContact O-N 2.96Å; D589-C592 PolarHBondContact O-N 2.85Å; D589-A593 WeakPolarHBondContact O-CB 3.23Å; D589-A593 PolarHBondContact O-N 2.86Å
590K97.8Very high97.6Very high100 Ų10089.2 Ų89.244%0.43546%0.462SS..Hα-helixtrans-59.1-43.5170.2-72.3158.1-161.9156.20111.3D586 Q587 A593 V594D586-K590 WeakPolarHBondContact O-CD 3.29Å; D586-K590 WeakPolarHBondContact O-CE 3.24Å; D586-K590 WeakPolarHBondContact O-CG 3.42Å; D586-K590 PolarHBondContact O-N 3.48Å; D586-K590 VanDerWaalsContact O-N 3.13Å; D586-K590 IonicContact OD2-NZ 2.6Å; Q587-K590 PolarHBondContact O-N 2.84Å; K590-A593 PolarHBondContact O-N 2.96Å; K590-V594 WeakPolarHBondContact O-CG2 3.48Å; K590-V594 PolarHBondContact O-N 2.92Å
591I97.6Very high97.6Very high86 Ų8689.4 Ų89.444%0.44146%0.463SS..Hα-helixtrans-63.6-41175.5-71.7164.2000111.1Q587 Q588 D589 V594 K595Q587-I591 WeakPolarHBondContact O-CB 3.31Å; Q587-I591 WeakPolarHBondContact O-CD1 3.45Å; Q587-I591 VanDerWaalsContact O-CG1 3.23Å; Q587-I591 WeakPolarHBondContact O-CG1 3.45Å; Q587-I591 PolarHBondContact O-N 3.43Å; Q588-I591 CarbonylContact O-C 3.36Å; Q588-I591 WeakPolarHBondContact O-CB 3.23Å; Q588-I591 PolarHBondContact O-N 2.87Å; D589-I591 VanDerWaalsContact C-N 3.33Å; D589-I591 PolarHBondContact O-N 2.96Å; I591-V594 PolarHBondContact O-N 3.04Å; I591-K595 HydrophobicContact CG2-CD 3.91Å; I591-K595 VanDerWaalsContact CG2-CE 3.47Å; I591-K595 HydrophobicContact CG2-CG 4.45Å; I591-K595 WeakPolarHBondContact O-CB 3.28Å; I591-K595 VanDerWaalsContact O-CG 3.24Å; I591-K595 WeakPolarHBondContact O-CG 3.26Å; I591-K595 PolarHBondContact O-N 3.19Å
592C97.6Very high97.5Very high73 Ų7389.1 Ų89.149%0.49346%0.461SS..Hα-helixtrans-65.3-41.1175.8-73.60000112.4Q588 D589 K595 S596Q588-C592 WeakPolarHBondContact O-CB 3.4Å; Q588-C592 PolarHBondContact O-N 3.41Å; Q588-C592 PolarHBondContact O-SG 3.29Å; D589-C592 PolarHBondContact O-N 2.85Å; C592-K595 PolarHBondContact O-N 3.41Å; C592-S596 WeakPolarHBondContact O-CB 3.38Å; C592-S596 PolarHBondContact O-N 2.84Å
593A97.8Very high97.4Very high53 Ų5389.4 Ų89.444%0.43846%0.463SS..Hα-helixtrans-63.8-44.8174.600000112D589 K590 S596 N597D589-A593 WeakPolarHBondContact O-CB 3.23Å; D589-A593 PolarHBondContact O-N 2.86Å; K590-A593 PolarHBondContact O-N 2.96Å; A593-S596 WeakPolarHBondContact O-CB 3.36Å; A593-S596 PolarHBondContact O-N 3.28Å; A593-N597 PolarHBondContact O-N 3.21Å; A593-N597 PolarHBondContact O-ND2 3.06Å
594V97.7Very high97.2Very high83 Ų8391.4 Ų91.450%0.50347%0.468SS..Hα-helixtrans-63.1-44.7175.1171.20000111.1K590 I591 S596 N597 I598K590-V594 WeakPolarHBondContact O-CG2 3.48Å; K590-V594 PolarHBondContact O-N 2.92Å; I591-V594 PolarHBondContact O-N 3.04Å; V594-S596 VanDerWaalsContact C-N 3.34Å; V594-S596 PolarHBondContact O-N 2.91Å; V594-N597 PolarHBondContact O-N 2.65Å; V594-N597 VanDerWaalsContact O-N 3.13Å; V594-I598 HydrophobicContact CG1-CD1 3.9Å; V594-I598 HydrophobicContact CG1-CG1 4.45Å; V594-I598 WeakPolarHBondContact O-CG1 3.5Å; V594-I598 PolarHBondContact O-N 3.35Å
595K97.4Very high97Very high124 Ų12491.4 Ų91.454%0.53947%0.468SS..Hα-helixtrans-58.6-42.1173.7-76.2169.9178.91730112.3I591 C592 N597 I598 L599I591-K595 HydrophobicContact CG2-CD 3.91Å; I591-K595 VanDerWaalsContact CG2-CE 3.47Å; I591-K595 HydrophobicContact CG2-CG 4.45Å; I591-K595 WeakPolarHBondContact O-CB 3.28Å; I591-K595 VanDerWaalsContact O-CG 3.24Å; I591-K595 WeakPolarHBondContact O-CG 3.26Å; I591-K595 PolarHBondContact O-N 3.19Å; C592-K595 PolarHBondContact O-N 3.41Å; K595-N597 VanDerWaalsContact C-N 3.31Å; K595-N597 PolarHBondContact O-N 3.19Å; K595-I598 PolarHBondContact O-N 3.44Å; K595-L599 WeakPolarHBondContact O-CG 3.48Å; K595-L599 PolarHBondContact O-N 3.33Å
596S97.2Very high96.8Very high48 Ų4893 Ų9334%0.33648%0.476SS..Hα-helixtrans-61-39.2174.9-173.30000112.1C592 A593 V594 K600C592-S596 WeakPolarHBondContact O-CB 3.38Å; C592-S596 PolarHBondContact O-N 2.84Å; A593-S596 WeakPolarHBondContact O-CB 3.36Å; A593-S596 PolarHBondContact O-N 3.28Å; V594-S596 VanDerWaalsContact C-N 3.34Å; V594-S596 PolarHBondContact O-N 2.91Å; S596-K600 WeakPolarHBondContact O-CD 3.43Å; S596-K600 VanDerWaalsContact O-CG 3.25Å; S596-K600 WeakPolarHBondContact O-CG 3.47Å; S596-K600 PolarHBondContact O-N 2.97Å; S596-K600 VanDerWaalsContact O-N 3.1Å; S596-K600 VanDerWaalsContact OG-CE 3.3Å; S596-K600 WeakPolarHBondContact OG-CE 3.45Å; S596-K600 PolarHBondContact OG-NZ 3.19Å; S596-K600 VanDerWaalsContact OG-NZ 3.14Å
597N97.2Very high96.5Very high85 Ų8595.9 Ų95.946%0.45549%0.486SS..Hα-helixtrans-73.4-35.6178-68-18.3000112.7A593 V594 K595 K600 N601A593-N597 PolarHBondContact O-N 3.21Å; A593-N597 PolarHBondContact O-ND2 3.06Å; V594-N597 PolarHBondContact O-N 2.65Å; V594-N597 VanDerWaalsContact O-N 3.13Å; K595-N597 VanDerWaalsContact C-N 3.31Å; K595-N597 PolarHBondContact O-N 3.19Å; N597-K600 PolarHBondContact O-N 2.97Å; N597-K600 PolarHBondContact OD1-NZ 3.04Å; N597-N601 WeakPolarHBondContact O-CB 3.29Å; N597-N601 VanDerWaalsContact O-CG 3.28Å; N597-N601 PolarHBondContact O-N 3.44Å; N597-N601 PolarHBondContact O-ND2 3.44Å
598I97.2Very high96.2Very high86 Ų8696 Ų9644%0.44149%0.488SS..Hα-helixtrans-60.5-51.8170.4-68.4166.2000109.8V594 K595 K600 N601 D602V594-I598 HydrophobicContact CG1-CD1 3.9Å; V594-I598 HydrophobicContact CG1-CG1 4.45Å; V594-I598 WeakPolarHBondContact O-CG1 3.5Å; V594-I598 PolarHBondContact O-N 3.35Å; K595-I598 PolarHBondContact O-N 3.44Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 3.21Å; I598-N601 CarbonylContact O-C 3.56Å; I598-N601 WeakPolarHBondContact O-CA 3.38Å; I598-N601 WeakPolarHBondContact O-CB 3.47Å; I598-N601 PolarHBondContact O-N 3.27Å; I598-D602 WeakPolarHBondContact CG2-OD2 3.38Å; I598-D602 PolarHBondContact O-N 3.42Å
599L96.9Very high95.9Very high117 Ų11794.3 Ų94.361%0.61349%0.485SS*.Hα-helixtrans-58.2-39.5179.4-71168.2000113.2K595 D602 E603K595-L599 WeakPolarHBondContact O-CG 3.48Å; K595-L599 PolarHBondContact O-N 3.33Å; L599-D602 PolarHBondContact O-N 3.15Å; L599-E603 WeakPolarHBondContact O-CB 3.36Å; L599-E603 PolarHBondContact O-N 3.13Å
600K96.6Very high95.5Very high110 Ų11092.9 Ų92.948%0.47848%0.48SS..Hα-helixtrans-66.1-36.5173.9-69.7163.1-166.1160.30112.5S596 N597 I598 K604S596-K600 WeakPolarHBondContact O-CD 3.43Å; S596-K600 VanDerWaalsContact O-CG 3.25Å; S596-K600 WeakPolarHBondContact O-CG 3.47Å; S596-K600 PolarHBondContact O-N 2.97Å; S596-K600 VanDerWaalsContact O-N 3.1Å; S596-K600 VanDerWaalsContact OG-CE 3.3Å; S596-K600 WeakPolarHBondContact OG-CE 3.45Å; S596-K600 PolarHBondContact OG-NZ 3.19Å; S596-K600 VanDerWaalsContact OG-NZ 3.14Å; N597-K600 PolarHBondContact O-N 2.97Å; N597-K600 PolarHBondContact OD1-NZ 3.04Å; I598-K600 VanDerWaalsContact C-N 3.32Å; I598-K600 PolarHBondContact O-N 3.21Å; K600-K604 WeakPolarHBondContact O-CB 3.2Å; K600-K604 PolarHBondContact O-N 2.87Å
601N96.1Very high94.7Very high94 Ų9490 Ų9050%0.50348%0.479SS..Hα-helixtrans-70.5-41.6175.6-73.7-23.2000111.2N597 I598 K604 I605N597-N601 WeakPolarHBondContact O-CB 3.29Å; N597-N601 VanDerWaalsContact O-CG 3.28Å; N597-N601 PolarHBondContact O-N 3.44Å; N597-N601 PolarHBondContact O-ND2 3.44Å; I598-N601 CarbonylContact O-C 3.56Å; I598-N601 WeakPolarHBondContact O-CA 3.38Å; I598-N601 WeakPolarHBondContact O-CB 3.47Å; I598-N601 PolarHBondContact O-N 3.27Å; N601-K604 CarbonylContact O-C 3.6Å; N601-K604 WeakPolarHBondContact O-CB 3.41Å; N601-K604 PolarHBondContact O-N 3.15Å; N601-I605 VanDerWaalsContact O-CG1 3.27Å; N601-I605 WeakPolarHBondContact O-CG1 3.42Å; N601-I605 PolarHBondContact O-N 3.44Å
602D96.6Very high93.7Very high70 Ų7090.9 Ų90.937%0.37448%0.483SS..Hα-helixtrans-61.7-45174.7-66.1-26.8000111.1I598 L599 K604 I605 Q606I598-D602 WeakPolarHBondContact CG2-OD2 3.38Å; I598-D602 PolarHBondContact O-N 3.42Å; L599-D602 PolarHBondContact O-N 3.15Å; D602-K604 VanDerWaalsContact C-N 3.31Å; D602-K604 PolarHBondContact O-N 3.24Å; D602-I605 PolarHBondContact O-N 2.73Å; D602-Q606 WeakPolarHBondContact O-CB 3.18Å; D602-Q606 VanDerWaalsContact O-CG 3.29Å; D602-Q606 WeakPolarHBondContact O-CG 3.42Å; D602-Q606 PolarHBondContact O-N 3.08Å
603E95.3Very high92Very high96 Ų9692.1 Ų92.145%0.44949%0.485SS..Hα-helixtrans-60-40.7174.1-165.8-161.9171.400111.5L599 Q606 K607L599-E603 WeakPolarHBondContact O-CB 3.36Å; L599-E603 PolarHBondContact O-N 3.13Å; E603-Q606 PolarHBondContact O-N 2.66Å; E603-K607 VanDerWaalsContact CD-NZ 3.28Å; E603-K607 VanDerWaalsContact O-CG 3.31Å; E603-K607 WeakPolarHBondContact O-CG 3.48Å; E603-K607 PolarHBondContact O-N 3.22Å; E603-K607 VanDerWaalsContact OE1-CE 3.23Å; E603-K607 WeakPolarHBondContact OE1-CE 3.46Å; E603-K607 IonicContact OE1-NZ 3.92Å; E603-K607 PolarHBondContact OE1-NZ 2.86Å; E603-K607 IonicContact OE2-NZ 2.7Å
604K95.1Very high90.2Very high132 Ų13297.4 Ų97.457%0.57450%0.499SS*.Hα-helixtrans-66.2-41175.2-171.7-179.7179.6-177.20111.9K600 N601 D602 K607 M608K600-K604 WeakPolarHBondContact O-CB 3.2Å; K600-K604 PolarHBondContact O-N 2.87Å; N601-K604 CarbonylContact O-C 3.6Å; N601-K604 WeakPolarHBondContact O-CB 3.41Å; N601-K604 PolarHBondContact O-N 3.15Å; D602-K604 VanDerWaalsContact C-N 3.31Å; D602-K604 PolarHBondContact O-N 3.24Å; K604-K607 PolarHBondContact O-N 3.31Å; K604-M608 HydrophobicContact CG-CE 4.38Å; K604-M608 WeakPolarHBondContact O-CG 3.41Å; K604-M608 PolarHBondContact O-N 3.35Å
605I94.3Very high88.4Confident88 Ų8897.8 Ų97.845%0.45151%0.505SS..Hα-helixtrans-64.2-45.1175.5-69.8162.9000110.2N601 D602 K607 M608 V609N601-I605 VanDerWaalsContact O-CG1 3.27Å; N601-I605 WeakPolarHBondContact O-CG1 3.42Å; N601-I605 PolarHBondContact O-N 3.44Å; D602-I605 PolarHBondContact O-N 2.73Å; I605-K607 VanDerWaalsContact C-N 3.33Å; I605-K607 PolarHBondContact O-N 3.47Å; I605-M608 HydrophobicContact CG1-CE 4.04Å; I605-M608 PolarHBondContact O-N 3.08Å; I605-M608 VanDerWaalsContact O-N 3.15Å; I605-V609 HydrophobicContact CG2-CG2 4.2Å; I605-V609 WeakPolarHBondContact O-CB 3.35Å; I605-V609 WeakPolarHBondContact O-CG2 3.38Å; I605-V609 PolarHBondContact O-N 3.31Å
606Q93.1Very high86.5Confident130 Ų13096 Ų9661%0.60751%0.508SS*.Hα-helixtrans-59.3-41.4175.3-72.217416.700112.1D602 E603 T610D602-Q606 WeakPolarHBondContact O-CB 3.18Å; D602-Q606 VanDerWaalsContact O-CG 3.29Å; D602-Q606 WeakPolarHBondContact O-CG 3.42Å; D602-Q606 PolarHBondContact O-N 3.08Å; E603-Q606 PolarHBondContact O-N 2.66Å; Q606-T610 WeakPolarHBondContact O-CB 3.34Å; Q606-T610 WeakPolarHBondContact O-CG2 3.41Å; Q606-T610 PolarHBondContact O-N 3.02Å; Q606-T610 PolarHBondContact O-OG1 3.25Å
607K92.3Very high84.5Confident124 Ų124104.7 Ų104.754%0.53953%0.533SS..Hα-helixtrans-63.8-39.3174-74169.4-175.2171.80112.7E603 K604 I605 T610 G611E603-K607 VanDerWaalsContact CD-NZ 3.28Å; E603-K607 VanDerWaalsContact O-CG 3.31Å; E603-K607 WeakPolarHBondContact O-CG 3.48Å; E603-K607 PolarHBondContact O-N 3.22Å; E603-K607 VanDerWaalsContact OE1-CE 3.23Å; E603-K607 WeakPolarHBondContact OE1-CE 3.46Å; E603-K607 IonicContact OE1-NZ 3.92Å; E603-K607 PolarHBondContact OE1-NZ 2.86Å; E603-K607 IonicContact OE2-NZ 2.7Å; K604-K607 PolarHBondContact O-N 3.31Å; I605-K607 VanDerWaalsContact C-N 3.33Å; I605-K607 PolarHBondContact O-N 3.47Å; K607-T610 PolarHBondContact O-OG1 3.35Å; K607-G611 PolarHBondContact O-N 3.48Å
608M91.4Very high82.2Confident99 Ų99109 Ų10949%0.48856%0.563SS.*Hα-helixtrans-68.6-47.4175.5-68.8-176.6-58.200111.9K604 I605 T610 G611 I612K604-M608 HydrophobicContact CG-CE 4.38Å; K604-M608 WeakPolarHBondContact O-CG 3.41Å; K604-M608 PolarHBondContact O-N 3.35Å; I605-M608 HydrophobicContact CG1-CE 4.04Å; I605-M608 PolarHBondContact O-N 3.08Å; I605-M608 VanDerWaalsContact O-N 3.15Å; M608-T610 PolarHBondContact O-N 3.43Å; M608-G611 PolarHBondContact O-N 2.9Å; M608-I612 WeakPolarHBondContact O-CD1 3.44Å; M608-I612 VanDerWaalsContact O-CG1 3.26Å; M608-I612 WeakPolarHBondContact O-CG1 3.38Å; M608-I612 PolarHBondContact O-N 3.38Å
609V91.3Very high81.4Confident75 Ų75110.2 Ų110.246%0.45557%0.569SS.*Hα-helixtrans-63.4-42179.7171.40000111.6I605 N613I605-V609 HydrophobicContact CG2-CG2 4.2Å; I605-V609 WeakPolarHBondContact O-CB 3.35Å; I605-V609 WeakPolarHBondContact O-CG2 3.38Å; I605-V609 PolarHBondContact O-N 3.31Å; V609-N613 WeakPolarHBondContact O-CB 3.49Å; V609-N613 PolarHBondContact O-N 3.39Å; V609-N613 PolarHBondContact O-ND2 3.15Å
610T88.9Confident80.6Confident77 Ų77109.8 Ų109.847%0.47257%0.567SS.*Hα-helixtrans-66.1-4417549.80000111.7Q606 K607 M608 I612 N613 F614Q606-T610 WeakPolarHBondContact O-CB 3.34Å; Q606-T610 WeakPolarHBondContact O-CG2 3.41Å; Q606-T610 PolarHBondContact O-N 3.02Å; Q606-T610 PolarHBondContact O-OG1 3.25Å; K607-T610 PolarHBondContact O-OG1 3.35Å; M608-T610 PolarHBondContact O-N 3.43Å; T610-I612 PolarHBondContact O-N 3.43Å; T610-N613 PolarHBondContact O-N 3.29Å; T610-F614 WeakPolarHBondContact O-CD2 3.45Å; T610-F614 PolarHBondContact O-N 3.45Å
611G81.8Confident79.7Confident39 Ų39109.8 Ų109.840%0.40257%0.572SS.*Hα-helixtrans-58.5-43.2175.100000113.6K607 M608 F614 S615K607-G611 PolarHBondContact O-N 3.48Å; M608-G611 PolarHBondContact O-N 2.9Å; G611-F614 PolarHBondContact O-N 3.07Å; G611-S615 PolarHBondContact O-N 3.18Å
612I75.2Confident78.8Confident105 Ų105110.7 Ų110.754%0.53858%0.576SS.*Hα-helixtrans-63.9-43175.7-68.1162.5000110.9M608 T610 F614 S615 S616M608-I612 WeakPolarHBondContact O-CD1 3.44Å; M608-I612 VanDerWaalsContact O-CG1 3.26Å; M608-I612 WeakPolarHBondContact O-CG1 3.38Å; M608-I612 PolarHBondContact O-N 3.38Å; T610-I612 PolarHBondContact O-N 3.43Å; I612-F614 VanDerWaalsContact C-N 3.29Å; I612-F614 PolarHBondContact O-N 3Å; I612-S615 CarbonylContact O-C 3.55Å; I612-S615 PolarHBondContact O-N 3.04Å; I612-S616 WeakPolarHBondContact O-CB 3.38Å; I612-S616 PolarHBondContact O-N 3.31Å; I612-S616 PolarHBondContact O-OG 3.39Å
613N63.4Low77.7Confident99 Ų99113.3 Ų113.353%0.52959%0.588SS.*Hα-helixtrans-65.6-28.7177.4-76.5-23.7000113.4V609 T610V609-N613 WeakPolarHBondContact O-CB 3.49Å; V609-N613 PolarHBondContact O-N 3.39Å; V609-N613 PolarHBondContact O-ND2 3.15Å; T610-N613 PolarHBondContact O-N 3.29Å
614F60.1Low76.5Confident165 Ų165114.4 Ų114.472%0.72460%0.597SS**Hα-helixtrans-70.9-46.7169.1-87.8-75.8000111.6T610 G611 I612 S616 R617T610-F614 WeakPolarHBondContact O-CD2 3.45Å; T610-F614 PolarHBondContact O-N 3.45Å; G611-F614 PolarHBondContact O-N 3.07Å; I612-F614 VanDerWaalsContact C-N 3.29Å; I612-F614 PolarHBondContact O-N 3Å; F614-S616 PolarHBondContact O-N 3.09Å; F614-S616 VanDerWaalsContact O-N 3.16Å; F614-R617 PolarHBondContact O-N 3.2Å
615S58.9Low75.2Confident90 Ų90113.1 Ų113.163%0.62960%0.599SS**Hα-helixtrans-68.9-7.3178.2-167.50000114.6G611 I612G611-S615 PolarHBondContact O-N 3.18Å; I612-S615 CarbonylContact O-C 3.55Å; I612-S615 PolarHBondContact O-N 3.04Å
616S58.1Low73.7Confident86 Ų86115.1 Ų115.160%0.60161%0.611SS**THydrogen-bonded Turntrans-104.69.6177.5-51.20000113I612 F614I612-S616 WeakPolarHBondContact O-CB 3.38Å; I612-S616 PolarHBondContact O-N 3.31Å; I612-S616 PolarHBondContact O-OG 3.39Å; F614-S616 PolarHBondContact O-N 3.09Å; F614-S616 VanDerWaalsContact O-N 3.16Å
617R54.9Low72.1Confident231 Ų231113.8 Ų113.887%0.87261%0.611SS**  trans-125.110.6-178.8-93.7-174167.7-161.1-3.1113.9F614F614-R617 PolarHBondContact O-N 3.2Å
618T48.8Very low70.3Confident176 Ų176112.9 Ų112.9100%1.0862%0.617SS**  trans-119.60174.354.30000109.2

Retrieved 618 of 618 residues in 1115.2 ms (Link to these results)

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