A0A096NTW5_PAPAN Loading...

Centrosomal protein 95

AlphaFold DB , UniProt , Accession A0A096NTW5, Species PAPAN (Papio anubis, Olive baboon), Gene CEP95, Length 821 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
1M41.1Very low72.6Confident235 Ų23578.7 Ų78.7100%1.15847%0.467SS*.  0156.20-64.7-74-142.900106.7G3M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.08Å; M1-G3 VanDerWaalsContact O-N 3.08Å
2A40.5Very low73.8Confident113 Ų11372.3 Ų72.393%0.93443%0.429SS*.  trans-84.575.5172.700000109.6
3G55.2Low74.9Confident19 Ų1969.6 Ų69.620%0.19641%0.412CS..  trans-67.9140.616900000110.1M1 E7M1-G3 VanDerWaalsContact C-N 3.28Å; M1-G3 PolarHBondContact O-N 3.08Å; M1-G3 VanDerWaalsContact O-N 3.08Å; G3-E7 WeakPolarHBondContact CA-OE2 3.47Å
4S75.2Confident75.7Confident59 Ų5968.4 Ų68.441%0.41341%0.409SS..  trans-64.1157.8-179.2690000111.6A6 E7S4-A6 PolarHBondContact O-N 3.21Å; S4-E7 WeakPolarHBondContact CB-OE1 3.32Å; S4-E7 PolarHBondContact N-OE1 3.24Å; S4-E7 PolarHBondContact N-OE2 3.38Å; S4-E7 WeakPolarHBondContact O-CB 3.42Å; S4-E7 PolarHBondContact O-N 3.24Å; S4-E7 VanDerWaalsContact O-N 3.07Å; S4-E7 PolarHBondContact OG-OE1 3.05Å
5E77.3Confident76.4Confident74 Ų7463.9 Ų63.935%0.34638%0.382SS..Hα-helixtrans-61.6-32.2-176.1-150.6174.3138.500112.4E7 W8 V9 L28 K94E5-E7 PolarHBondContact O-N 3.01Å; E5-W8 PolarHBondContact O-N 2.88Å; E5-V9 PolarHBondContact O-N 3.49Å; E5-V9 VanDerWaalsContact O-N 3.09Å; E5-L28 HydrophobicContact CG-CB 4.28Å; E5-L28 HydrophobicContact CG-CD1 3.68Å; E5-L28 HydrophobicContact CG-CG 4.47Å; E5-K94 WeakPolarHBondContact OE1-CE 3.45Å; E5-K94 IonicContact OE1-NZ 3.8Å; E5-K94 PolarHBondContact OE1-NZ 3.32Å; E5-K94 IonicContact OE2-NZ 3.29Å; E5-K94 PolarHBondContact OE2-NZ 3.16Å
6A80.2Confident77.1Confident63 Ų6360 Ų6052%0.52136%0.358SS..Hα-helixtrans-66.8-30.8175.400000114S4 W8 T10S4-A6 PolarHBondContact O-N 3.21Å; A6-W8 VanDerWaalsContact C-N 3.34Å; A6-T10 WeakPolarHBondContact O-CB 3.47Å; A6-T10 PolarHBondContact O-N 3.45Å; A6-T10 PolarHBondContact O-OG1 3.18Å
7E84.3Confident77.6Confident100 Ų10066.5 Ų66.547%0.46738%0.381SS..Hα-helixtrans-63.2-43.4173.4-71.9152.7-122.500110.4G3 S4 E5 T10 I11G3-E7 WeakPolarHBondContact CA-OE2 3.47Å; S4-E7 WeakPolarHBondContact CB-OE1 3.32Å; S4-E7 PolarHBondContact N-OE1 3.24Å; S4-E7 PolarHBondContact N-OE2 3.38Å; S4-E7 WeakPolarHBondContact O-CB 3.42Å; S4-E7 PolarHBondContact O-N 3.24Å; S4-E7 VanDerWaalsContact O-N 3.07Å; S4-E7 PolarHBondContact OG-OE1 3.05Å; E5-E7 PolarHBondContact O-N 3.01Å; E7-T10 CarbonylContact O-C 3.47Å; E7-T10 WeakPolarHBondContact O-CA 3.47Å; E7-T10 WeakPolarHBondContact O-CB 3.45Å; E7-T10 PolarHBondContact O-N 3.31Å; E7-T10 VanDerWaalsContact O-N 3.15Å; E7-I11 WeakPolarHBondContact O-CG1 3.41Å; E7-I11 PolarHBondContact O-N 2.99Å
8W85.4Confident78Confident35 Ų3567.9 Ų67.913%0.13338%0.382CS..Hα-helixtrans-71.8-36.8-179.8-70.696.7000113.3E5 A6 T10 I11 A12 L28 K98 E102E5-W8 PolarHBondContact O-N 2.88Å; A6-W8 VanDerWaalsContact C-N 3.34Å; W8-T10 VanDerWaalsContact C-N 3.25Å; W8-T10 PolarHBondContact O-N 2.84Å; W8-I11 HydrophobicContact CD2-CD1 4.33Å; W8-I11 HydrophobicContact CE3-CD1 4.06Å; W8-I11 HydrophobicContact CZ3-CD1 4.37Å; W8-I11 PolarHBondContact O-N 2.68Å; W8-A12 WeakPolarHBondContact O-CB 3.36Å; W8-A12 PolarHBondContact O-N 3.46Å; W8-L28 HydrophobicContact CB-CD1 3.53Å; W8-L28 HydrophobicContact CB-CD2 4.49Å; W8-L28 HydrophobicContact CB-CG 4.17Å; W8-L28 HydrophobicContact CG-CD1 4.28Å; W8-K98 HydrophobicContact CB-CG 4.26Å; W8-K98 HydrophobicContact CD2-CB 4.1Å; W8-K98 HydrophobicContact CD2-CD 3.91Å; W8-K98 HydrophobicContact CD2-CG 3.59Å; W8-K98 HydrophobicContact CE3-CB 3.99Å; W8-K98 HydrophobicContact CE3-CG 3.86Å; W8-K98 HydrophobicContact CG-CD 3.88Å; W8-K98 HydrophobicContact CG-CG 3.76Å; W8-K98 HydrophobicContact CH2-CB 4.29Å; W8-K98 HydrophobicContact CZ2-CB 4.41Å; W8-K98 HydrophobicContact CZ2-CD 4.49Å; W8-K98 HydrophobicContact CZ3-CB 4.09Å; W8-K98 HydrophobicContact CZ3-CG 4.45Å; W8-E102 HydrophobicContact CH2-CB 4.04Å; W8-E102 HydrophobicContact CH2-CG 4.4Å; W8-E102 HydrophobicContact CZ3-CB 4.05Å
9V86.8Confident78.2Confident19 Ų1965.1 Ų65.112%0.11537%0.367CS..Hα-helixtrans-62.2-35.6168.4172.40000110.8E5 N13 I25 L28E5-V9 PolarHBondContact O-N 3.49Å; E5-V9 VanDerWaalsContact O-N 3.09Å; V9-N13 PolarHBondContact O-N 3.15Å; V9-N13 PolarHBondContact O-ND2 2.86Å; V9-I25 HydrophobicContact CG1-CG2 4.34Å; V9-I25 WeakPolarHBondContact CG1-O 3.35Å; V9-L28 HydrophobicContact CG2-CB 4.42Å; V9-L28 HydrophobicContact CG2-CG 4.23Å
10T86.7Confident78.3Confident96 Ų9669.8 Ų69.859%0.58939%0.386SS*.Hα-helixtrans-67.7-41.9174.9-55.20000111.8A6 E7 W8 S14A6-T10 WeakPolarHBondContact O-CB 3.47Å; A6-T10 PolarHBondContact O-N 3.45Å; A6-T10 PolarHBondContact O-OG1 3.18Å; E7-T10 CarbonylContact O-C 3.47Å; E7-T10 WeakPolarHBondContact O-CA 3.47Å; E7-T10 WeakPolarHBondContact O-CB 3.45Å; E7-T10 PolarHBondContact O-N 3.31Å; E7-T10 VanDerWaalsContact O-N 3.15Å; W8-T10 VanDerWaalsContact C-N 3.25Å; W8-T10 PolarHBondContact O-N 2.84Å; T10-S14 VanDerWaalsContact O-CB 3.27Å; T10-S14 WeakPolarHBondContact O-CB 3.36Å; T10-S14 PolarHBondContact O-N 2.86Å
11I85.7Confident78.6Confident53 Ų5368 Ų6827%0.27238%0.375SS..Hα-helixtrans-62.1-46.9174.2-67.7162.5000110.5E7 W8 N13 S14 L15 D105E7-I11 WeakPolarHBondContact O-CG1 3.41Å; E7-I11 PolarHBondContact O-N 2.99Å; W8-I11 HydrophobicContact CD2-CD1 4.33Å; W8-I11 HydrophobicContact CE3-CD1 4.06Å; W8-I11 HydrophobicContact CZ3-CD1 4.37Å; W8-I11 PolarHBondContact O-N 2.68Å; I11-N13 PolarHBondContact O-N 3.35Å; I11-S14 WeakPolarHBondContact O-CB 3.37Å; I11-S14 PolarHBondContact O-N 3.09Å; I11-L15 VanDerWaalsContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CB 3.34Å; I11-L15 PolarHBondContact O-N 3.33Å; I11-D105 HydrophobicContact CG2-CB 4.45Å
12A86.8Confident80Confident1 Ų166.1 Ų66.11%0.00836%0.363CS..Hα-helixtrans-59.4-46.4178.700000112.5W8 L15 L16 I25 L101W8-A12 WeakPolarHBondContact O-CB 3.36Å; W8-A12 PolarHBondContact O-N 3.46Å; A12-L15 PolarHBondContact O-N 3.24Å; A12-L16 WeakPolarHBondContact O-CG 3.31Å; A12-L16 PolarHBondContact O-N 2.89Å; A12-I25 HydrophobicContact CB-CD1 3.99Å; A12-L101 HydrophobicContact CB-CD1 4.01Å; A12-L101 HydrophobicContact CB-CD2 4.24Å
13N88.2Confident82Confident38 Ų3864.9 Ų64.920%0.20334%0.34CS..Hα-helixtrans-67.2-36.2176.2-76.4-76.9000112.7V9 I11 F17 R24 I25V9-N13 PolarHBondContact O-N 3.15Å; V9-N13 PolarHBondContact O-ND2 2.86Å; I11-N13 PolarHBondContact O-N 3.35Å; N13-F17 VanDerWaalsContact O-CB 3.29Å; N13-F17 WeakPolarHBondContact O-CB 3.46Å; N13-F17 PolarHBondContact O-N 3.49Å; N13-R24 WeakPolarHBondContact OD1-CA 3.44Å; N13-R24 WeakPolarHBondContact OD1-CG 3.33Å; N13-I25 PolarHBondContact ND2-O 3.04Å; N13-I25 PolarHBondContact OD1-N 2.82Å
14S86.5Confident83.2Confident53 Ų5372.8 Ų72.837%0.37136%0.364SS..Hα-helixtrans-61.3-47.4173.3178.80000111.2T10 I11 F17 K18T10-S14 VanDerWaalsContact O-CB 3.27Å; T10-S14 WeakPolarHBondContact O-CB 3.36Å; T10-S14 PolarHBondContact O-N 2.86Å; I11-S14 WeakPolarHBondContact O-CB 3.37Å; I11-S14 PolarHBondContact O-N 3.09Å; S14-F17 PolarHBondContact O-N 3.43Å; S14-K18 WeakPolarHBondContact O-CG 3Å; S14-K18 PolarHBondContact O-N 2.79Å
15L86.7Confident83.7Confident0 Ų070.2 Ų70.20%035%0.346CS..Hα-helixtrans-60.8-48.8178.4-175.965.9000111.7I11 A12 F17 K18 C19 L39 I43 L101 F104 D105 L108I11-L15 VanDerWaalsContact O-CB 3.31Å; I11-L15 WeakPolarHBondContact O-CB 3.34Å; I11-L15 PolarHBondContact O-N 3.33Å; A12-L15 PolarHBondContact O-N 3.24Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.82Å; L15-K18 PolarHBondContact O-N 2.98Å; L15-C19 WeakPolarHBondContact O-CB 3.42Å; L15-C19 PolarHBondContact O-N 3.42Å; L15-C19 PolarHBondContact O-SG 3.09Å; L15-L39 HydrophobicContact CD2-CD1 3.84Å; L15-L39 HydrophobicContact CD2-CD2 3.87Å; L15-L39 HydrophobicContact CG-CD2 3.68Å; L15-I43 HydrophobicContact CD1-CD1 4.17Å; L15-L101 HydrophobicContact CD2-CD2 3.99Å; L15-F104 HydrophobicContact CD2-CB 3.77Å; L15-D105 HydrophobicContact CD1-CB 4.17Å; L15-L108 HydrophobicContact CD1-CB 4.35Å; L15-L108 HydrophobicContact CD1-CD2 3.69Å
16L87.1Confident83.8Confident2 Ų272.9 Ų72.91%0.0136%0.358CS..Hα-helixtrans-60.2-41.1175.2-70.2172.5000112.3A12 C19 H20 I21 L23 I25 V35 L39A12-L16 WeakPolarHBondContact O-CG 3.31Å; A12-L16 PolarHBondContact O-N 2.89Å; L16-C19 CarbonylContact O-C 3.6Å; L16-C19 PolarHBondContact O-N 3.49Å; L16-H20 PolarHBondContact O-N 2.98Å; L16-H20 VanDerWaalsContact O-N 3.1Å; L16-I21 HydrophobicContact CB-CB 4.36Å; L16-I21 HydrophobicContact CD2-CB 3.85Å; L16-I21 HydrophobicContact CD2-CD1 3.76Å; L16-I21 HydrophobicContact CD2-CG1 4.41Å; L16-I21 HydrophobicContact CD2-CG2 3.81Å; L16-I21 PolarHBondContact O-N 2.9Å; L16-L23 HydrophobicContact CD1-CB 4.34Å; L16-I25 HydrophobicContact CD1-CD1 3.55Å; L16-I25 HydrophobicContact CD1-CG1 3.96Å; L16-V35 HydrophobicContact CD1-CG1 4.42Å; L16-V35 HydrophobicContact CD2-CG1 3.95Å; L16-L39 HydrophobicContact CD2-CD1 4.41Å; L16-L39 HydrophobicContact CD2-CD2 3.86Å; L16-L39 HydrophobicContact CD2-CG 4.03Å
17F85.9Confident83.9Confident171 Ų17175.2 Ų75.275%0.7536%0.358SS*.Hα-helixtrans-64.3-46.8177.1-178.3-95.2000112.3N13 S14 L15 C19 H20N13-F17 VanDerWaalsContact O-CB 3.29Å; N13-F17 WeakPolarHBondContact O-CB 3.46Å; N13-F17 PolarHBondContact O-N 3.49Å; S14-F17 PolarHBondContact O-N 3.43Å; L15-F17 VanDerWaalsContact C-N 3.33Å; L15-F17 PolarHBondContact O-N 2.82Å; F17-C19 PolarHBondContact O-N 3.4Å; F17-H20 PolarHBondContact O-N 2.8Å
18K84.1Confident83.8Confident92 Ų9270.4 Ų70.440%0.434%0.336SS..Hα-helixtrans-55-43.3172.1-65.4169.5-172.7178.60110.7S14 L15 H20 D105 L108S14-K18 WeakPolarHBondContact O-CG 3Å; S14-K18 PolarHBondContact O-N 2.79Å; L15-K18 PolarHBondContact O-N 2.98Å; K18-H20 PolarHBondContact O-N 3.42Å; K18-H20 PolarHBondContact O-ND1 2.77Å; K18-D105 IonicContact NZ-OD1 2.96Å; K18-D105 PolarHBondContact NZ-OD1 3.18Å; K18-D105 IonicContact NZ-OD2 3.44Å; K18-L108 HydrophobicContact CB-CD2 3.7Å; K18-L108 HydrophobicContact CD-CD2 3.51Å; K18-L108 HydrophobicContact CD-CG 4.44Å; K18-L108 HydrophobicContact CG-CD2 4.27Å
19C82.3Confident83.7Confident14 Ų1473.1 Ų73.110%0.09535%0.35CS..THydrogen-bonded Turntrans-75.32.1179.3-63.80000114.9L15 L16 F17 I21 L39 S42 I43L15-C19 WeakPolarHBondContact O-CB 3.42Å; L15-C19 PolarHBondContact O-N 3.42Å; L15-C19 PolarHBondContact O-SG 3.09Å; L16-C19 CarbonylContact O-C 3.6Å; L16-C19 PolarHBondContact O-N 3.49Å; F17-C19 PolarHBondContact O-N 3.4Å; C19-I21 HydrophobicContact CB-CD1 3.75Å; C19-I21 HydrophobicContact CB-CG1 4.01Å; C19-I21 PolarHBondContact O-N 2.85Å; C19-L39 HydrophobicContact CB-CD2 4.26Å; C19-S42 PolarHBondContact O-OG 3.25Å; C19-I43 WeakPolarHBondContact SG-CG1 3.42Å
20H79.9Confident83.6Confident158 Ų15875.2 Ų75.273%0.73136%0.36SS*.THydrogen-bonded Turntrans57.923.5-176.4-62.260.8000114.5L16 F17 K18L16-H20 PolarHBondContact O-N 2.98Å; L16-H20 VanDerWaalsContact O-N 3.1Å; F17-H20 PolarHBondContact O-N 2.8Å; K18-H20 PolarHBondContact O-N 3.42Å; K18-H20 PolarHBondContact O-ND1 2.77Å
21I84.1Confident83.5Confident33 Ų3370.7 Ų70.717%0.16933%0.333CS..  trans-86.6114.6178-60.8163.6000108.4L16 C19 L23 A38 L39L16-I21 HydrophobicContact CB-CB 4.36Å; L16-I21 HydrophobicContact CD2-CB 3.85Å; L16-I21 HydrophobicContact CD2-CD1 3.76Å; L16-I21 HydrophobicContact CD2-CG1 4.41Å; L16-I21 HydrophobicContact CD2-CG2 3.81Å; L16-I21 PolarHBondContact O-N 2.9Å; C19-I21 HydrophobicContact CB-CD1 3.75Å; C19-I21 HydrophobicContact CB-CG1 4.01Å; C19-I21 PolarHBondContact O-N 2.85Å; I21-L23 HydrophobicContact CG2-CB 4.12Å; I21-L23 PolarHBondContact O-N 3.3Å; I21-A38 HydrophobicContact CD1-CB 3.84Å; I21-A38 HydrophobicContact CG1-CB 4.5Å; I21-L39 HydrophobicContact CD1-CD2 4Å; I21-L39 HydrophobicContact CD1-CG 4.26Å
22H71.3Confident83.3Confident195 Ų19573 Ų7390%0.90335%0.346SS*.  trans-80.351.6-178-62.6-45.3000113.4
23L82.1Confident83.3Confident87 Ų8773.1 Ų73.146%0.45535%0.346SS..  trans-115.7144.9171.5-175.465.2000109.1L16 I21 V35L16-L23 HydrophobicContact CD1-CB 4.34Å; I21-L23 HydrophobicContact CG2-CB 4.12Å; I21-L23 PolarHBondContact O-N 3.3Å; L23-V35 HydrophobicContact CD2-CG2 3.67Å
24R80.2Confident83.3Confident186 Ų18676 Ų7670%0.70236%0.362SS*.  trans-122.1119.6176.1-171.3-179.4-173.4166.73.2109.9N13N13-R24 WeakPolarHBondContact OD1-CA 3.44Å; N13-R24 WeakPolarHBondContact OD1-CG 3.33Å
25I85.8Confident83.4Confident4 Ų473.8 Ų73.82%0.02135%0.346CS..  trans-90.1134.7179.6-70.5171.5000108.6V9 A12 N13 L16 E27 D30 V35V9-I25 HydrophobicContact CG1-CG2 4.34Å; V9-I25 WeakPolarHBondContact CG1-O 3.35Å; A12-I25 HydrophobicContact CB-CD1 3.99Å; N13-I25 PolarHBondContact ND2-O 3.04Å; N13-I25 PolarHBondContact OD1-N 2.82Å; L16-I25 HydrophobicContact CD1-CD1 3.55Å; L16-I25 HydrophobicContact CD1-CG1 3.96Å; I25-E27 WeakPolarHBondContact CG2-O 3.31Å; I25-D30 HydrophobicContact CG1-CB 4.46Å; I25-D30 HydrophobicContact CG2-CB 4.25Å; I25-V35 HydrophobicContact CD1-CG1 4.12Å
26H80.8Confident83.5Confident130 Ų13073.8 Ų73.860%0.60235%0.346SS*.SBendtrans-110.9-39.7179.7-80-95.6000111.8D30H26-D30 WeakPolarHBondContact CA-OD2 3.04Å; H26-D30 PolarHBondContact N-OD2 3.41Å
27E82.6Confident83.6Confident112 Ų11274.5 Ų74.552%0.52335%0.35SS..SBendtrans-120153.3170.6-64.3-162.2-161.800111.2I25 Q29 D30I25-E27 WeakPolarHBondContact CG2-O 3.31Å; E27-Q29 PolarHBondContact O-N 3.09Å; E27-D30 PolarHBondContact N-OD2 3.45Å; E27-D30 VanDerWaalsContact O-CG 3.28Å; E27-D30 PolarHBondContact O-N 2.89Å
28L81.3Confident83.6Confident0 Ų067.8 Ų67.80%033%0.326CS..THydrogen-bonded Turntrans-64.1-8.8-180-117.7172.1000113.7E5 W8 V9 C31 I97 K98 L101E5-L28 HydrophobicContact CG-CB 4.28Å; E5-L28 HydrophobicContact CG-CD1 3.68Å; E5-L28 HydrophobicContact CG-CG 4.47Å; W8-L28 HydrophobicContact CB-CD1 3.53Å; W8-L28 HydrophobicContact CB-CD2 4.49Å; W8-L28 HydrophobicContact CB-CG 4.17Å; W8-L28 HydrophobicContact CG-CD1 4.28Å; V9-L28 HydrophobicContact CG2-CB 4.42Å; V9-L28 HydrophobicContact CG2-CG 4.23Å; L28-C31 PolarHBondContact O-SG 3.49Å; L28-I97 HydrophobicContact CD2-CB 4.36Å; L28-I97 HydrophobicContact CD2-CG2 3.45Å; L28-I97 VanDerWaalsContact CD2-CG2 3.45Å; L28-K98 HydrophobicContact CD1-CD 4.24Å; L28-K98 HydrophobicContact CD1-CG 3.9Å; L28-K98 HydrophobicContact CD2-CG 4.35Å; L28-L101 HydrophobicContact CD2-CD1 3.89Å
29Q84.2Confident83.8Confident91 Ų9163.4 Ų63.443%0.42531%0.307SS..THydrogen-bonded Turntrans-92.7-9.2177.6-64.2-174.1-44.900113E27 C31 G92 K94E27-Q29 PolarHBondContact O-N 3.09Å; Q29-C31 PolarHBondContact O-N 2.92Å; Q29-C31 VanDerWaalsContact O-N 3.15Å; Q29-G92 PolarHBondContact NE2-O 2.79Å; Q29-K94 HydrophobicContact CG-CG 4.36Å
30D83.3Confident84.1Confident63 Ų6362.8 Ų62.834%0.33730%0.303SS..  trans-73.84.1171.6-42.9-27000112.5I25 H26 E27 D32I25-D30 HydrophobicContact CG1-CB 4.46Å; I25-D30 HydrophobicContact CG2-CB 4.25Å; H26-D30 WeakPolarHBondContact CA-OD2 3.04Å; H26-D30 PolarHBondContact N-OD2 3.41Å; E27-D30 PolarHBondContact N-OD2 3.45Å; E27-D30 VanDerWaalsContact O-CG 3.28Å; E27-D30 PolarHBondContact O-N 2.89Å; D30-D32 PolarHBondContact O-N 3.12Å
31C84.6Confident84.4Confident2 Ų259 Ų591%0.01429%0.285CS..  trans-8159-178.6-63.30000111.7L28 Q29 F36 I97L28-C31 PolarHBondContact O-SG 3.49Å; Q29-C31 PolarHBondContact O-N 2.92Å; Q29-C31 VanDerWaalsContact O-N 3.15Å; C31-F36 HydrophobicContact CB-CE2 3.84Å; C31-F36 HydrophobicContact CB-CZ 4.11Å; C31-F36 WeakPolarHBondContact O-CE2 3.34Å; C31-I97 HydrophobicContact CB-CD1 4.4Å; C31-I97 HydrophobicContact CB-CG2 3.67Å
32D82.9Confident84.5Confident101 Ų10160.4 Ų60.454%0.5430%0.298SS..  trans-58.7164179.2-72.5-28.1000113.2D30 N34 V35D30-D32 PolarHBondContact O-N 3.12Å; D32-N34 PolarHBondContact O-N 3.41Å; D32-N34 VanDerWaalsContact O-N 3.14Å; D32-V35 HydrophobicContact CB-CG2 4.3Å; D32-V35 VanDerWaalsContact O-CB 3.26Å; D32-V35 WeakPolarHBondContact O-CB 3.49Å; D32-V35 WeakPolarHBondContact O-CG2 3.42Å; D32-V35 PolarHBondContact O-N 2.88Å
33A86.3Confident85.1Confident3 Ų352 Ų523%0.02526%0.259CS..Hα-helixtrans-48.7-43.4174.400000112.9V35 F36 I37 D61 V65 V90A33-V35 PolarHBondContact O-N 2.97Å; A33-F36 PolarHBondContact O-N 3.47Å; A33-F36 VanDerWaalsContact O-N 3.16Å; A33-I37 HydrophobicContact CB-CD1 4.36Å; A33-I37 WeakPolarHBondContact O-CD1 3.36Å; A33-I37 VanDerWaalsContact O-CG1 3.26Å; A33-I37 WeakPolarHBondContact O-CG1 3.32Å; A33-I37 PolarHBondContact O-N 3.08Å; A33-D61 HydrophobicContact CB-CB 3.81Å; A33-V65 VanDerWaalsContact CA-CG2 3.46Å; A33-V65 HydrophobicContact CB-CG2 3.43Å; A33-V65 VanDerWaalsContact CB-CG2 3.43Å; A33-V90 HydrophobicContact CB-CG2 4.38Å
34N86.8Confident85.2Confident100 Ų10049.2 Ų49.254%0.53525%0.245SC..Hα-helixtrans-57.3-32.1177.5-67.6-63.4000113.4D32 A38D32-N34 PolarHBondContact O-N 3.41Å; D32-N34 VanDerWaalsContact O-N 3.14Å; N34-A38 VanDerWaalsContact O-CB 3.24Å; N34-A38 WeakPolarHBondContact O-CB 3.31Å; N34-A38 PolarHBondContact O-N 3.16Å
35V88.6Confident85.1Confident6 Ų643.7 Ų43.74%0.03625%0.245CC..Hα-helixtrans-67.5-47.4177.6-171.90000110.3L16 L23 I25 D32 A33 A38 L39L16-V35 HydrophobicContact CD1-CG1 4.42Å; L16-V35 HydrophobicContact CD2-CG1 3.95Å; L23-V35 HydrophobicContact CD2-CG2 3.67Å; I25-V35 HydrophobicContact CD1-CG1 4.12Å; D32-V35 HydrophobicContact CB-CG2 4.3Å; D32-V35 VanDerWaalsContact O-CB 3.26Å; D32-V35 WeakPolarHBondContact O-CB 3.49Å; D32-V35 WeakPolarHBondContact O-CG2 3.42Å; D32-V35 PolarHBondContact O-N 2.88Å; A33-V35 PolarHBondContact O-N 2.97Å; V35-A38 PolarHBondContact O-N 3.35Å; V35-L39 HydrophobicContact CG1-CD1 4.18Å; V35-L39 WeakPolarHBondContact O-CB 3.18Å; V35-L39 VanDerWaalsContact O-CG 3.29Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 2.79Å
36F90.1Very high84.8Confident0 Ų048.7 Ų48.70%027%0.269CS..Hα-helixtrans-72.2-34.8179.6-68.9-65.4000113.1C31 A33 L39 Y40 I89 I97 L100 L101 F104C31-F36 HydrophobicContact CB-CE2 3.84Å; C31-F36 HydrophobicContact CB-CZ 4.11Å; C31-F36 WeakPolarHBondContact O-CE2 3.34Å; A33-F36 PolarHBondContact O-N 3.47Å; A33-F36 VanDerWaalsContact O-N 3.16Å; F36-L39 HydrophobicContact CD1-CD1 4.23Å; F36-L39 PolarHBondContact O-N 3.39Å; F36-Y40 WeakPolarHBondContact O-CB 3.45Å; F36-Y40 PolarHBondContact O-N 2.81Å; F36-I89 HydrophobicContact CD2-CG2 3.88Å; F36-I89 HydrophobicContact CE2-CG2 3.61Å; F36-I97 HydrophobicContact CZ-CG2 4.09Å; F36-L100 HydrophobicContact CB-CD2 4.4Å; F36-L100 HydrophobicContact CD1-CD2 3.52Å; F36-L100 HydrophobicContact CD1-CG 3.84Å; F36-L100 HydrophobicContact CD2-CD2 4.16Å; F36-L100 HydrophobicContact CE1-CB 4.07Å; F36-L100 HydrophobicContact CE1-CD2 3.67Å; F36-L100 HydrophobicContact CE1-CG 3.7Å; F36-L100 HydrophobicContact CE2-CD2 4.28Å; F36-L100 HydrophobicContact CG-CD2 3.76Å; F36-L100 HydrophobicContact CZ-CB 4.36Å; F36-L100 HydrophobicContact CZ-CD2 4.04Å; F36-L100 HydrophobicContact CZ-CG 4.33Å; F36-L101 HydrophobicContact CE1-CD2 3.87Å; F36-L101 HydrophobicContact CE1-CG 4.03Å; F36-L101 HydrophobicContact CZ-CD2 4.31Å; F36-L101 HydrophobicContact CZ-CG 4.19Å; F36-F104 HydrophobicContact CB-CE2 4.46Å; F36-F104 AromaticContact CD1-CD2 3.93Å; F36-F104 HydrophobicContact CD1-CD2 3.93Å; F36-F104 AromaticContact CD1-CE2 3.66Å; F36-F104 HydrophobicContact CD1-CE2 3.66Å; F36-F104 HydrophobicContact CE1-CD2 4.32Å; F36-F104 HydrophobicContact CE1-CE2 4.44Å
37I88.6Confident84.7Confident16 Ų1650.9 Ų50.98%0.08228%0.277CS..Hα-helixtrans-62.1-44.4171-65.5157.1000110.6A33 Q41 V48 L51 N64 V68A33-I37 HydrophobicContact CB-CD1 4.36Å; A33-I37 WeakPolarHBondContact O-CD1 3.36Å; A33-I37 VanDerWaalsContact O-CG1 3.26Å; A33-I37 WeakPolarHBondContact O-CG1 3.32Å; A33-I37 PolarHBondContact O-N 3.08Å; I37-Q41 WeakPolarHBondContact O-CG 3.16Å; I37-Q41 PolarHBondContact O-N 2.94Å; I37-Q41 VanDerWaalsContact O-N 3.11Å; I37-V48 HydrophobicContact CG2-CG2 4.2Å; I37-L51 HydrophobicContact CD1-CD1 3.87Å; I37-L51 HydrophobicContact CG1-CD1 3.97Å; I37-L51 HydrophobicContact CG2-CD1 4.3Å; I37-L51 HydrophobicContact CG2-CD2 4.25Å; I37-N64 HydrophobicContact CD1-CB 4.08Å; I37-V68 HydrophobicContact CG1-CG2 4.34Å
38A85.9Confident84.7Confident30 Ų3045.9 Ų45.925%0.24825%0.254CS..Hα-helixtrans-66.8-43.7177.900000111.9I21 N34 V35 Y40 Q41 S42I21-A38 HydrophobicContact CD1-CB 3.84Å; I21-A38 HydrophobicContact CG1-CB 4.5Å; N34-A38 VanDerWaalsContact O-CB 3.24Å; N34-A38 WeakPolarHBondContact O-CB 3.31Å; N34-A38 PolarHBondContact O-N 3.16Å; V35-A38 PolarHBondContact O-N 3.35Å; A38-Y40 PolarHBondContact O-N 3.24Å; A38-Q41 PolarHBondContact O-N 2.89Å; A38-S42 WeakPolarHBondContact O-CB 3.47Å; A38-S42 PolarHBondContact O-N 2.87Å; A38-S42 PolarHBondContact O-OG 2.74Å
39L88.2Confident84.5Confident1 Ų148.6 Ų48.61%0.00527%0.272CS..Hα-helixtrans-59-46.1175-76.8170.6000112.1L15 L16 C19 I21 V35 F36 Q41 S42 I43 L101 F104L15-L39 HydrophobicContact CD2-CD1 3.84Å; L15-L39 HydrophobicContact CD2-CD2 3.87Å; L15-L39 HydrophobicContact CG-CD2 3.68Å; L16-L39 HydrophobicContact CD2-CD1 4.41Å; L16-L39 HydrophobicContact CD2-CD2 3.86Å; L16-L39 HydrophobicContact CD2-CG 4.03Å; C19-L39 HydrophobicContact CB-CD2 4.26Å; I21-L39 HydrophobicContact CD1-CD2 4Å; I21-L39 HydrophobicContact CD1-CG 4.26Å; V35-L39 HydrophobicContact CG1-CD1 4.18Å; V35-L39 WeakPolarHBondContact O-CB 3.18Å; V35-L39 VanDerWaalsContact O-CG 3.29Å; V35-L39 WeakPolarHBondContact O-CG 3.48Å; V35-L39 PolarHBondContact O-N 2.79Å; F36-L39 HydrophobicContact CD1-CD1 4.23Å; F36-L39 PolarHBondContact O-N 3.39Å; L39-Q41 PolarHBondContact O-N 2.93Å; L39-S42 PolarHBondContact O-N 3.3Å; L39-I43 HydrophobicContact CB-CD1 4.4Å; L39-I43 HydrophobicContact CD2-CD1 4.33Å; L39-I43 WeakPolarHBondContact O-CB 3.21Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.4Å; L39-L101 HydrophobicContact CD1-CD2 4.34Å; L39-F104 HydrophobicContact CB-CD1 4.48Å; L39-F104 HydrophobicContact CB-CE1 4.44Å; L39-F104 HydrophobicContact CB-CZ 4.47Å
40Y88.3Confident84.3Confident1 Ų151 Ų510%0.00429%0.287CS..Hα-helixtrans-55.3-52.2174.5-176.7-78.9000111.4F36 A38 S42 I43 L44 E46 V48 V68 S71 L72F36-Y40 WeakPolarHBondContact O-CB 3.45Å; F36-Y40 PolarHBondContact O-N 2.81Å; A38-Y40 PolarHBondContact O-N 3.24Å; Y40-S42 PolarHBondContact O-N 2.78Å; Y40-I43 PolarHBondContact O-N 2.81Å; Y40-L44 HydrophobicContact CD1-CD1 4.28Å; Y40-L44 HydrophobicContact CD2-CD1 3.65Å; Y40-L44 HydrophobicContact CE1-CD1 4.05Å; Y40-L44 HydrophobicContact CE2-CD1 3.41Å; Y40-L44 VanDerWaalsContact CE2-CD1 3.41Å; Y40-L44 HydrophobicContact CG-CD1 4.08Å; Y40-L44 WeakPolarHBondContact O-CB 3.34Å; Y40-L44 PolarHBondContact O-N 3.33Å; Y40-E46 HydrophobicContact CE1-CB 4.44Å; Y40-V48 HydrophobicContact CD1-CB 4.5Å; Y40-V48 HydrophobicContact CD1-CG2 3.58Å; Y40-V48 HydrophobicContact CE1-CG2 4.12Å; Y40-V48 HydrophobicContact CG-CG2 3.88Å; Y40-V68 HydrophobicContact CD2-CG1 4.01Å; Y40-S71 PolarHBondContact OH-OG 3.39Å; Y40-S71 VanDerWaalsContact OH-OG 3.08Å; Y40-L72 HydrophobicContact CD2-CD2 4.2Å; Y40-L72 HydrophobicContact CD2-CG 4.26Å; Y40-L72 HydrophobicContact CE2-CD2 4.15Å; Y40-L72 HydrophobicContact CE2-CG 4.28Å
41Q87.9Confident84.3Confident78 Ų7850.6 Ų50.636%0.36429%0.285SS..Hα-helixtrans-65.3-35.6-178.4-69.3178.635.100112.9I37 A38 L39 G45 E46I37-Q41 WeakPolarHBondContact O-CG 3.16Å; I37-Q41 PolarHBondContact O-N 2.94Å; I37-Q41 VanDerWaalsContact O-N 3.11Å; A38-Q41 PolarHBondContact O-N 2.89Å; L39-Q41 PolarHBondContact O-N 2.93Å; Q41-G45 VanDerWaalsContact O-CA 3.25Å; Q41-G45 WeakPolarHBondContact O-CA 3.25Å; Q41-G45 PolarHBondContact O-N 3.35Å; Q41-E46 WeakPolarHBondContact CG-O 3.31Å
42S85.3Confident84.2Confident62 Ų6253 Ų5343%0.43430%0.297SS..Hα-helixtrans-76.4-34.2178.5-75.60000113.9C19 A38 L39 Y40C19-S42 PolarHBondContact O-OG 3.25Å; A38-S42 WeakPolarHBondContact O-CB 3.47Å; A38-S42 PolarHBondContact O-N 2.87Å; A38-S42 PolarHBondContact O-OG 2.74Å; L39-S42 PolarHBondContact O-N 3.3Å; Y40-S42 PolarHBondContact O-N 2.78Å
43I84.6Confident83.8Confident18 Ų1852.6 Ų52.69%0.09231%0.307CS..Hα-helixtrans-83.7-38.4-176.7-66.1167.5000111.2L15 C19 L39 Y40 F104 L108 L111L15-I43 HydrophobicContact CD1-CD1 4.17Å; C19-I43 WeakPolarHBondContact SG-CG1 3.42Å; L39-I43 HydrophobicContact CB-CD1 4.4Å; L39-I43 HydrophobicContact CD2-CD1 4.33Å; L39-I43 WeakPolarHBondContact O-CB 3.21Å; L39-I43 VanDerWaalsContact O-CG1 3.25Å; L39-I43 WeakPolarHBondContact O-CG1 3.4Å; L39-I43 PolarHBondContact O-N 3.4Å; Y40-I43 PolarHBondContact O-N 2.81Å; I43-F104 HydrophobicContact CD1-CB 4.09Å; I43-F104 HydrophobicContact CD1-CD1 3.65Å; I43-F104 HydrophobicContact CD1-CE1 4.46Å; I43-F104 HydrophobicContact CD1-CG 4.25Å; I43-L108 HydrophobicContact CD1-CB 4.32Å; I43-L108 HydrophobicContact CG1-CB 4.43Å; I43-L108 HydrophobicContact CG1-CD1 4.37Å; I43-L108 HydrophobicContact CG2-CB 4.33Å; I43-L108 HydrophobicContact CG2-CD1 4.46Å; I43-L111 HydrophobicContact CG2-CD1 3.78Å
44L83.2Confident83.2Confident30 Ų3058.2 Ų58.216%0.15734%0.336CS..Hα-helixtrans-102.6-18.7-173.6-56.7173.4000113.3Y40 E46 L72 Y76 L111Y40-L44 HydrophobicContact CD1-CD1 4.28Å; Y40-L44 HydrophobicContact CD2-CD1 3.65Å; Y40-L44 HydrophobicContact CE1-CD1 4.05Å; Y40-L44 HydrophobicContact CE2-CD1 3.41Å; Y40-L44 VanDerWaalsContact CE2-CD1 3.41Å; Y40-L44 HydrophobicContact CG-CD1 4.08Å; Y40-L44 WeakPolarHBondContact O-CB 3.34Å; Y40-L44 PolarHBondContact O-N 3.33Å; L44-E46 PolarHBondContact O-N 2.81Å; L44-L72 HydrophobicContact CD1-CD2 4Å; L44-Y76 HydrophobicContact CD1-CD2 4.1Å; L44-Y76 HydrophobicContact CD1-CE1 4.27Å; L44-Y76 HydrophobicContact CD1-CE2 3.73Å; L44-Y76 HydrophobicContact CD2-CD1 3.97Å; L44-Y76 HydrophobicContact CD2-CE1 3.69Å; L44-Y76 HydrophobicContact CG-CE1 4.45Å; L44-L111 HydrophobicContact CD2-CD1 3.99Å
45G78.1Confident82.9Confident69 Ų6955.5 Ų55.571%0.71132%0.324SS*.SBendtrans74.5-5.1-176.500000114.7Q41Q41-G45 VanDerWaalsContact O-CA 3.25Å; Q41-G45 WeakPolarHBondContact O-CA 3.25Å; Q41-G45 PolarHBondContact O-N 3.35Å
46E80.6Confident82.4Confident109 Ų10965.7 Ų65.751%0.50936%0.361SS..SBendtrans-100.5159-178.5-63.3-169157.900112.4Y40 Q41 L44 Y76Y40-E46 HydrophobicContact CE1-CB 4.44Å; Q41-E46 WeakPolarHBondContact CG-O 3.31Å; L44-E46 PolarHBondContact O-N 2.81Å; E46-Y76 PolarHBondContact OE2-OH 2.64Å
47K78.7Confident82.1Confident176 Ų17667.8 Ų67.877%0.76538%0.376SS*.PPolyproline II helixtrans-83.9141.8171.7-66.8-174.8178.9-1760110
48V82Confident82Confident8 Ų872.2 Ų72.25%0.04840%0.396CS..PPolyproline II helixtrans-56.5129.2171.4-173.90000109.2I37 Y40 L51 A67 V68I37-V48 HydrophobicContact CG2-CG2 4.2Å; Y40-V48 HydrophobicContact CD1-CB 4.5Å; Y40-V48 HydrophobicContact CD1-CG2 3.58Å; Y40-V48 HydrophobicContact CE1-CG2 4.12Å; Y40-V48 HydrophobicContact CG-CG2 3.88Å; V48-L51 HydrophobicContact CB-CB 4.26Å; V48-L51 HydrophobicContact CB-CD1 4.19Å; V48-L51 HydrophobicContact CG1-CD1 4.3Å; V48-A67 HydrophobicContact CG1-CB 3.94Å; V48-V68 HydrophobicContact CB-CG2 4.34Å; V48-V68 HydrophobicContact CG1-CG2 3.67Å; V48-V68 HydrophobicContact CG2-CG2 3.63Å
49P76.7Confident82Confident57 Ų5777.3 Ų77.337%0.3742%0.415SS..THydrogen-bonded Turntrans-65152.3174.227.7-33.8000111.1L51 A67P49-L51 PolarHBondContact O-N 2.82Å; P49-A67 WeakPolarHBondContact O-CB 3.49Å
50D79.1Confident82Confident141 Ų14179.1 Ų79.175%0.75443%0.425SS*.THydrogen-bonded Turntrans5120.9177.2-62.1-13.1000116.8I52D50-I52 PolarHBondContact O-N 2.81Å
51L83.5Confident82Confident55 Ų5580.8 Ų80.829%0.28843%0.434SS..  trans-62.1122.9-178.7-172.376.2000113.3I37 V48 P49 A53 N64I37-L51 HydrophobicContact CD1-CD1 3.87Å; I37-L51 HydrophobicContact CG1-CD1 3.97Å; I37-L51 HydrophobicContact CG2-CD1 4.3Å; I37-L51 HydrophobicContact CG2-CD2 4.25Å; V48-L51 HydrophobicContact CB-CB 4.26Å; V48-L51 HydrophobicContact CB-CD1 4.19Å; V48-L51 HydrophobicContact CG1-CD1 4.3Å; P49-L51 PolarHBondContact O-N 2.82Å; L51-A53 PolarHBondContact O-N 3.09Å; L51-N64 HydrophobicContact CD1-CB 3.88Å; L51-N64 WeakPolarHBondContact CD1-OD1 3.37Å
52I83.6Confident82.1Confident53 Ų5377.9 Ų77.927%0.27242%0.423SS..  trans-72.398.4170.6-58.3171.9000108.5D50 I54 D60 H63 N64D50-I52 PolarHBondContact O-N 2.81Å; I52-I54 PolarHBondContact O-N 3.08Å; I52-I54 VanDerWaalsContact O-N 3.1Å; I52-D60 HydrophobicContact CD1-CB 3.98Å; I52-D60 HydrophobicContact CG2-CB 4.29Å; I52-H63 HydrophobicContact CD1-CB 4.19Å; I52-N64 WeakPolarHBondContact CB-OD1 3.48Å; I52-N64 PolarHBondContact N-OD1 3.4Å; I52-N64 PolarHBondContact O-ND2 3.29Å
53A73.1Confident82.4Confident91 Ų9179.4 Ų79.475%0.75242%0.424SS*.SBendtrans-66.3-10.6-171.300000115.9L51L51-A53 PolarHBondContact O-N 3.09Å
54I74.9Confident82.7Confident121 Ų12178.7 Ų78.762%0.62142%0.42SS*.SBendtrans-140.688.6170.4-53.3177000107.1I52I52-I54 PolarHBondContact O-N 3.08Å; I52-I54 VanDerWaalsContact O-N 3.1Å
55P79.6Confident83.1Confident44 Ų4477.2 Ų77.229%0.28641%0.412SS..  trans-62.4140.9172.327.2-33.5000109.8D60 D61P55-D60 HydrophobicContact CB-CB 3.75Å; P55-D61 WeakPolarHBondContact CB-OD1 3.31Å; P55-D61 WeakPolarHBondContact CG-OD1 3.43Å
56R78.2Confident83.7Confident219 Ų21976.2 Ų76.283%0.82639%0.389SS*.  trans-126.2-9179-63.5-175.2178.5-164.4-1.4112.8D60R56-D60 WeakPolarHBondContact CA-OD2 3.26Å; R56-D60 PolarHBondContact N-OD2 3.31Å
57S84.3Confident84.2Confident44 Ų4471.7 Ų71.731%0.30837%0.37SS..SBendtrans-143.9159-175.964.30000110.5E59 D60 D61S57-E59 WeakPolarHBondContact CB-OE2 3.31Å; S57-E59 PolarHBondContact O-N 2.89Å; S57-D60 PolarHBondContact N-OD2 2.92Å; S57-D60 WeakPolarHBondContact O-CB 3.49Å; S57-D60 PolarHBondContact O-N 3.23Å; S57-D60 VanDerWaalsContact O-N 3.09Å; S57-D60 PolarHBondContact OG-N 3.37Å; S57-D60 PolarHBondContact OG-OD2 3.46Å; S57-D61 PolarHBondContact O-N 2.86Å
58Q86Confident84.7Confident109 Ų10963.3 Ų63.351%0.50933%0.334SS..Hα-helixtrans-64.3-26177.4-165.1175.912.100111.3A62 V90Q58-A62 WeakPolarHBondContact O-CB 3.22Å; Q58-A62 PolarHBondContact O-N 3.46Å; Q58-V90 HydrophobicContact CG-CG1 3.44Å; Q58-V90 VanDerWaalsContact CG-CG1 3.44Å; Q58-V90 PolarHBondContact NE2-O 3.02Å
59E86.2Confident85.1Confident138 Ų13863 Ų6365%0.64533%0.332SS*.Hα-helixtrans-68.3-36.5173.3-66.375.4-171.800112.8S57 A62 H63S57-E59 WeakPolarHBondContact CB-OE2 3.31Å; S57-E59 PolarHBondContact O-N 2.89Å; E59-A62 PolarHBondContact O-N 3.47Å; E59-H63 WeakPolarHBondContact O-CB 3.35Å; E59-H63 PolarHBondContact O-N 3.33Å
60D88Confident85.8Confident38 Ų3863.9 Ų63.920%0.20333%0.333CS..Hα-helixtrans-66.2-42.9174.2-59.5-54.1000110.9I52 P55 R56 S57 H63 N64I52-D60 HydrophobicContact CD1-CB 3.98Å; I52-D60 HydrophobicContact CG2-CB 4.29Å; P55-D60 HydrophobicContact CB-CB 3.75Å; R56-D60 WeakPolarHBondContact CA-OD2 3.26Å; R56-D60 PolarHBondContact N-OD2 3.31Å; S57-D60 PolarHBondContact N-OD2 2.92Å; S57-D60 WeakPolarHBondContact O-CB 3.49Å; S57-D60 PolarHBondContact O-N 3.23Å; S57-D60 VanDerWaalsContact O-N 3.09Å; S57-D60 PolarHBondContact OG-N 3.37Å; S57-D60 PolarHBondContact OG-OD2 3.46Å; D60-H63 WeakPolarHBondContact O-CB 3.32Å; D60-H63 PolarHBondContact O-N 3.45Å; D60-N64 WeakPolarHBondContact O-CB 3.36Å; D60-N64 VanDerWaalsContact O-CG 3.25Å; D60-N64 PolarHBondContact O-N 3.18Å; D60-N64 PolarHBondContact O-ND2 2.87Å
61D88.4Confident86.2Confident36 Ų3657.4 Ų57.419%0.19330%0.299CS..Hα-helixtrans-66-40.3175.9-79-40.1000111.6A33 P55 S57 H63 N64 V65 V90A33-D61 HydrophobicContact CB-CB 3.81Å; P55-D61 WeakPolarHBondContact CB-OD1 3.31Å; P55-D61 WeakPolarHBondContact CG-OD1 3.43Å; S57-D61 PolarHBondContact O-N 2.86Å; D61-H63 VanDerWaalsContact C-N 3.32Å; D61-H63 PolarHBondContact O-N 3.33Å; D61-N64 PolarHBondContact O-N 2.83Å; D61-V65 WeakPolarHBondContact O-CG2 3.24Å; D61-V65 PolarHBondContact O-N 3.01Å; D61-V90 HydrophobicContact CB-CG1 4.08Å; D61-V90 HydrophobicContact CB-CG2 4.21Å
62A90.1Very high86.5Confident18 Ų1854.8 Ų54.815%0.14929%0.286CS..Hα-helixtrans-63.2-37.2173.500000112.1Q58 E59 Q66 G86 V90Q58-A62 WeakPolarHBondContact O-CB 3.22Å; Q58-A62 PolarHBondContact O-N 3.46Å; E59-A62 PolarHBondContact O-N 3.47Å; A62-Q66 WeakPolarHBondContact O-CB 3.45Å; A62-Q66 PolarHBondContact O-N 2.84Å; A62-G86 WeakPolarHBondContact O-CA 3.48Å; A62-V90 HydrophobicContact CB-CB 4.46Å; A62-V90 HydrophobicContact CB-CG2 4.49Å
63H91.3Very high86.7Confident94 Ų9452.8 Ų52.844%0.43528%0.277SS..Hα-helixtrans-66.1-46.5173.1-177.376.4000111.6I52 E59 D60 D61 V65 Q66 A67I52-H63 HydrophobicContact CD1-CB 4.19Å; E59-H63 WeakPolarHBondContact O-CB 3.35Å; E59-H63 PolarHBondContact O-N 3.33Å; D60-H63 WeakPolarHBondContact O-CB 3.32Å; D60-H63 PolarHBondContact O-N 3.45Å; D61-H63 VanDerWaalsContact C-N 3.32Å; D61-H63 PolarHBondContact O-N 3.33Å; H63-V65 VanDerWaalsContact C-N 3.35Å; H63-V65 PolarHBondContact O-N 3.31Å; H63-Q66 CarbonylContact O-C 3.58Å; H63-Q66 PolarHBondContact O-N 3.48Å; H63-Q66 VanDerWaalsContact O-N 3.07Å; H63-A67 PolarHBondContact O-N 3.06Å
64N90.7Very high87.3Confident2 Ų254.3 Ų54.31%0.01127%0.272CS..Hα-helixtrans-58.3-43.1177.4-76.2-20.6000112.6I37 L51 I52 D60 D61 A67 V68I37-N64 HydrophobicContact CD1-CB 4.08Å; L51-N64 HydrophobicContact CD1-CB 3.88Å; L51-N64 WeakPolarHBondContact CD1-OD1 3.37Å; I52-N64 WeakPolarHBondContact CB-OD1 3.48Å; I52-N64 PolarHBondContact N-OD1 3.4Å; I52-N64 PolarHBondContact O-ND2 3.29Å; D60-N64 WeakPolarHBondContact O-CB 3.36Å; D60-N64 VanDerWaalsContact O-CG 3.25Å; D60-N64 PolarHBondContact O-N 3.18Å; D60-N64 PolarHBondContact O-ND2 2.87Å; D61-N64 PolarHBondContact O-N 2.83Å; N64-A67 PolarHBondContact O-N 2.87Å; N64-V68 PolarHBondContact O-N 3.41Å
65V91.3Very high87.6Confident0 Ų053.2 Ų53.20%027%0.267CS..Hα-helixtrans-70.5-33.8174.7179.30000111.6A33 D61 H63 V68 I69 I89 V90 L100A33-V65 VanDerWaalsContact CA-CG2 3.46Å; A33-V65 HydrophobicContact CB-CG2 3.43Å; A33-V65 VanDerWaalsContact CB-CG2 3.43Å; D61-V65 WeakPolarHBondContact O-CG2 3.24Å; D61-V65 PolarHBondContact O-N 3.01Å; H63-V65 VanDerWaalsContact C-N 3.35Å; H63-V65 PolarHBondContact O-N 3.31Å; V65-V68 WeakPolarHBondContact O-CB 3.22Å; V65-V68 PolarHBondContact O-N 2.91Å; V65-I69 HydrophobicContact CG1-CD1 3.96Å; V65-I69 HydrophobicContact CG1-CG1 4.49Å; V65-I69 VanDerWaalsContact O-CG1 3.31Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.36Å; V65-I89 HydrophobicContact CG1-CB 4.16Å; V65-I89 HydrophobicContact CG1-CD1 3.67Å; V65-I89 HydrophobicContact CG1-CG2 4.04Å; V65-V90 HydrophobicContact CG2-CG2 4.02Å; V65-L100 HydrophobicContact CG1-CD2 4.41Å
66Q91.9Very high87.7Confident48 Ų4855.1 Ų55.122%0.22427%0.269CS..Hα-helixtrans-65.9-38174.3-166.361.849.900111.8A62 H63 V68 I69 D70 T85A62-Q66 WeakPolarHBondContact O-CB 3.45Å; A62-Q66 PolarHBondContact O-N 2.84Å; H63-Q66 CarbonylContact O-C 3.58Å; H63-Q66 PolarHBondContact O-N 3.48Å; H63-Q66 VanDerWaalsContact O-N 3.07Å; Q66-V68 PolarHBondContact O-N 2.91Å; Q66-I69 PolarHBondContact O-N 3.39Å; Q66-I69 VanDerWaalsContact O-N 3.17Å; Q66-D70 PolarHBondContact NE2-OD1 2.94Å; Q66-D70 WeakPolarHBondContact O-CB 3.21Å; Q66-D70 VanDerWaalsContact O-CG 3.3Å; Q66-D70 PolarHBondContact O-N 3.15Å; Q66-T85 VanDerWaalsContact OE1-CA 3.31Å
67A90Very high87.8Confident14 Ų1447.5 Ų47.512%0.11624%0.244CC..Hα-helixtrans-63.7-38.2174.400000112.6V48 P49 H63 N64 S71V48-A67 HydrophobicContact CG1-CB 3.94Å; P49-A67 WeakPolarHBondContact O-CB 3.49Å; H63-A67 PolarHBondContact O-N 3.06Å; N64-A67 PolarHBondContact O-N 2.87Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.32Å; A67-S71 VanDerWaalsContact O-N 3.09Å
68V90.5Very high87.4Confident0 Ų053.2 Ų53.20%027%0.266CS..Hα-helixtrans-58.2-50.6168.5169.20000110.9I37 Y40 V48 N64 V65 Q66 D70 L72 F104I37-V68 HydrophobicContact CG1-CG2 4.34Å; Y40-V68 HydrophobicContact CD2-CG1 4.01Å; V48-V68 HydrophobicContact CB-CG2 4.34Å; V48-V68 HydrophobicContact CG1-CG2 3.67Å; V48-V68 HydrophobicContact CG2-CG2 3.63Å; N64-V68 PolarHBondContact O-N 3.41Å; V65-V68 WeakPolarHBondContact O-CB 3.22Å; V65-V68 PolarHBondContact O-N 2.91Å; Q66-V68 PolarHBondContact O-N 2.91Å; V68-D70 PolarHBondContact O-N 3.41Å; V68-L72 HydrophobicContact CG1-CD1 4.11Å; V68-L72 WeakPolarHBondContact O-CB 3.22Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 2.81Å; V68-F104 HydrophobicContact CG1-CE2 4.22Å; V68-F104 HydrophobicContact CG1-CZ 3.75Å
69I90.8Very high87.2Confident1 Ų152.3 Ų52.31%0.00527%0.268CS..Hα-helixtrans-63.2-43.2-178.7-69.2162.2000111.7V65 Q66 L72 A73 L81 I84 I89 L100V65-I69 HydrophobicContact CG1-CD1 3.96Å; V65-I69 HydrophobicContact CG1-CG1 4.49Å; V65-I69 VanDerWaalsContact O-CG1 3.31Å; V65-I69 WeakPolarHBondContact O-CG1 3.44Å; V65-I69 PolarHBondContact O-N 3.36Å; Q66-I69 PolarHBondContact O-N 3.39Å; Q66-I69 VanDerWaalsContact O-N 3.17Å; I69-L72 PolarHBondContact O-N 3.41Å; I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.97Å; I69-L81 HydrophobicContact CG2-CB 3.84Å; I69-L81 HydrophobicContact CG2-CD1 4.06Å; I69-I84 HydrophobicContact CD1-CB 4.48Å; I69-I84 HydrophobicContact CD1-CG2 3.8Å; I69-I84 HydrophobicContact CG1-CG2 4.41Å; I69-I89 HydrophobicContact CD1-CD1 3.86Å; I69-L100 HydrophobicContact CG1-CD1 4.36Å; I69-L100 HydrophobicContact CG1-CD2 4.3Å
70D90.3Very high86.7Confident75 Ų7550.2 Ų50.240%0.40127%0.268SS..Hα-helixtrans-71-39.8-174.9-72.3-10000111.1Q66 V68 A73 L74Q66-D70 PolarHBondContact NE2-OD1 2.94Å; Q66-D70 WeakPolarHBondContact O-CB 3.21Å; Q66-D70 VanDerWaalsContact O-CG 3.3Å; Q66-D70 PolarHBondContact O-N 3.15Å; V68-D70 PolarHBondContact O-N 3.41Å; D70-A73 PolarHBondContact O-N 3.47Å; D70-L74 VanDerWaalsContact O-CB 3.28Å; D70-L74 WeakPolarHBondContact O-CB 3.27Å; D70-L74 WeakPolarHBondContact O-CG 3.34Å; D70-L74 PolarHBondContact O-N 2.88Å
71S88.6Confident86.6Confident6 Ų649 Ų494%0.04226%0.262CS..Hα-helixtrans-67.3-42172.8-175.80000112.2Y40 A67 A73 L74 D75Y40-S71 PolarHBondContact OH-OG 3.39Å; Y40-S71 VanDerWaalsContact OH-OG 3.08Å; A67-S71 WeakPolarHBondContact O-CB 3.49Å; A67-S71 PolarHBondContact O-N 3.32Å; A67-S71 VanDerWaalsContact O-N 3.09Å; S71-A73 VanDerWaalsContact C-N 3.29Å; S71-A73 PolarHBondContact O-N 3.01Å; S71-L74 PolarHBondContact O-N 3.33Å; S71-D75 VanDerWaalsContact CA-OD2 3.31Å; S71-D75 WeakPolarHBondContact CA-OD2 3.37Å; S71-D75 WeakPolarHBondContact CB-OD2 3.27Å; S71-D75 WeakPolarHBondContact O-CB 3.43Å; S71-D75 PolarHBondContact O-N 3.33Å; S71-D75 PolarHBondContact OG-OD2 2.91Å
72L88.1Confident86.3Confident0 Ų052.2 Ų52.20%029%0.287CS..Iπ-helixtrans-58.4-41171.2-72.5179.4000112.2Y40 L44 V68 I69 Y76 L77 L81 L100 I103 F104 L107Y40-L72 HydrophobicContact CD2-CD2 4.2Å; Y40-L72 HydrophobicContact CD2-CG 4.26Å; Y40-L72 HydrophobicContact CE2-CD2 4.15Å; Y40-L72 HydrophobicContact CE2-CG 4.28Å; L44-L72 HydrophobicContact CD1-CD2 4Å; V68-L72 HydrophobicContact CG1-CD1 4.11Å; V68-L72 WeakPolarHBondContact O-CB 3.22Å; V68-L72 VanDerWaalsContact O-CG 3.26Å; V68-L72 WeakPolarHBondContact O-CG 3.49Å; V68-L72 PolarHBondContact O-N 2.81Å; I69-L72 PolarHBondContact O-N 3.41Å; L72-Y76 HydrophobicContact CD2-CD2 4.36Å; L72-L77 HydrophobicContact CB-CD1 4.37Å; L72-L77 VanDerWaalsContact O-CB 3.23Å; L72-L77 WeakPolarHBondContact O-CB 3.48Å; L72-L77 VanDerWaalsContact O-CG 3.3Å; L72-L77 WeakPolarHBondContact O-CG 3.49Å; L72-L77 PolarHBondContact O-N 3.28Å; L72-L81 HydrophobicContact CB-CD1 4.33Å; L72-L100 HydrophobicContact CD1-CD1 4.04Å; L72-I103 HydrophobicContact CD1-CG2 4.26Å; L72-F104 HydrophobicContact CD1-CE1 3.92Å; L72-F104 HydrophobicContact CD1-CE2 4.05Å; L72-F104 HydrophobicContact CD1-CZ 3.65Å; L72-F104 HydrophobicContact CD2-CE1 4.41Å; L72-L107 HydrophobicContact CD2-CD1 3.67Å
73A88.9Confident85.8Confident10 Ų1056.6 Ų56.68%0.08330%0.304CS..Iπ-helixtrans-71.4-37-179.200000113.5I69 D70 S71 Q78 V79 L81I69-A73 WeakPolarHBondContact O-CB 3.42Å; I69-A73 PolarHBondContact O-N 2.97Å; D70-A73 PolarHBondContact O-N 3.47Å; S71-A73 VanDerWaalsContact C-N 3.29Å; S71-A73 PolarHBondContact O-N 3.01Å; A73-Q78 CarbonylContact O-C 3.6Å; A73-Q78 WeakPolarHBondContact O-CA 3.35Å; A73-Q78 PolarHBondContact O-N 3.33Å; A73-Q78 VanDerWaalsContact O-N 3.09Å; A73-V79 WeakPolarHBondContact CB-O 3.3Å; A73-V79 PolarHBondContact O-N 2.81Å; A73-L81 HydrophobicContact CB-CB 4.19Å; A73-L81 HydrophobicContact CB-CD1 4.17Å; A73-L81 HydrophobicContact CB-CG 3.9Å
74L85.3Confident85.6Confident124 Ų12452.2 Ų52.265%0.64928%0.284SS*.Iπ-helixtrans-88.7-51.9-175.5-68.6171.3000112.5D70 S71D70-L74 VanDerWaalsContact O-CB 3.28Å; D70-L74 WeakPolarHBondContact O-CB 3.27Å; D70-L74 WeakPolarHBondContact O-CG 3.34Å; D70-L74 PolarHBondContact O-N 2.88Å; S71-L74 PolarHBondContact O-N 3.33Å
75D81.1Confident85.5Confident98 Ų9854.2 Ų54.252%0.52430%0.296SS..Iπ-helixtrans-88.7-42.7-165.5-52.8-51.1000111.6S71S71-D75 VanDerWaalsContact CA-OD2 3.31Å; S71-D75 WeakPolarHBondContact CA-OD2 3.37Å; S71-D75 WeakPolarHBondContact CB-OD2 3.27Å; S71-D75 WeakPolarHBondContact O-CB 3.43Å; S71-D75 PolarHBondContact O-N 3.33Å; S71-D75 PolarHBondContact OG-OD2 2.91Å
76Y80.8Confident85.4Confident84 Ų8454.2 Ų54.233%0.32930%0.296SS..Iπ-helixtrans-100.1-47.5-170.9-66.2-82.7000114.2L44 E46 L72L44-Y76 HydrophobicContact CD1-CD2 4.1Å; L44-Y76 HydrophobicContact CD1-CE1 4.27Å; L44-Y76 HydrophobicContact CD1-CE2 3.73Å; L44-Y76 HydrophobicContact CD2-CD1 3.97Å; L44-Y76 HydrophobicContact CD2-CE1 3.69Å; L44-Y76 HydrophobicContact CG-CE1 4.45Å; E46-Y76 PolarHBondContact OE2-OH 2.64Å; L72-Y76 HydrophobicContact CD2-CD2 4.36Å
77L80.4Confident85.2Confident58 Ų5857.1 Ų57.130%0.30431%0.31SS..SBendtrans-95.5-24.7-174.8-61.4169.5000113.6L72 V79 L81 I103 L107L72-L77 HydrophobicContact CB-CD1 4.37Å; L72-L77 VanDerWaalsContact O-CB 3.23Å; L72-L77 WeakPolarHBondContact O-CB 3.48Å; L72-L77 VanDerWaalsContact O-CG 3.3Å; L72-L77 WeakPolarHBondContact O-CG 3.49Å; L72-L77 PolarHBondContact O-N 3.28Å; L77-V79 WeakPolarHBondContact O-CG2 3.47Å; L77-V79 PolarHBondContact O-N 3.38Å; L77-V79 VanDerWaalsContact O-N 3.14Å; L77-L81 HydrophobicContact CD1-CD1 3.97Å; L77-L81 HydrophobicContact CD1-CD2 4.21Å; L77-L81 HydrophobicContact CD1-CG 4.38Å; L77-I103 HydrophobicContact CD1-CG2 3.84Å; L77-L107 HydrophobicContact CD2-CD2 3.96Å; L77-L107 HydrophobicContact CD2-CG 4.4Å
78Q77.8Confident85.2Confident164 Ų16459.3 Ų59.377%0.76632%0.32SS*.  trans52.530.2-174.5-57.3-177.99.700113.7A73A73-Q78 CarbonylContact O-C 3.6Å; A73-Q78 WeakPolarHBondContact O-CA 3.35Å; A73-Q78 PolarHBondContact O-N 3.33Å; A73-Q78 VanDerWaalsContact O-N 3.09Å
79V80.9Confident85.1Confident91 Ų9159.5 Ų59.555%0.55232%0.321SS*.SBendtrans-134.5131.5-175.71700000109.6A73 L77 L81A73-V79 WeakPolarHBondContact CB-O 3.3Å; A73-V79 PolarHBondContact O-N 2.81Å; L77-V79 WeakPolarHBondContact O-CG2 3.47Å; L77-V79 PolarHBondContact O-N 3.38Å; L77-V79 VanDerWaalsContact O-N 3.14Å; V79-L81 PolarHBondContact O-N 3.01Å
80S76.4Confident85Confident93 Ų9361 Ų6165%0.6533%0.33SS*.  trans-65.9105.3-178.759.60000112.5S82S80-S82 PolarHBondContact O-N 2.97Å
81L84.4Confident84.9Confident14 Ų1463.6 Ų63.67%0.07334%0.337CS..  trans-75.628.9175.4-63.6-175.9000113.9I69 L72 A73 L77 V79 H83 I84 I103I69-L81 HydrophobicContact CG2-CB 3.84Å; I69-L81 HydrophobicContact CG2-CD1 4.06Å; L72-L81 HydrophobicContact CB-CD1 4.33Å; A73-L81 HydrophobicContact CB-CB 4.19Å; A73-L81 HydrophobicContact CB-CD1 4.17Å; A73-L81 HydrophobicContact CB-CG 3.9Å; L77-L81 HydrophobicContact CD1-CD1 3.97Å; L77-L81 HydrophobicContact CD1-CD2 4.21Å; L77-L81 HydrophobicContact CD1-CG 4.38Å; V79-L81 PolarHBondContact O-N 3.01Å; L81-H83 PolarHBondContact O-N 2.79Å; L81-I84 PolarHBondContact O-N 3.02Å; L81-I84 VanDerWaalsContact O-O 3.07Å; L81-I103 HydrophobicContact CD1-CD1 3.91Å; L81-I103 HydrophobicContact CD2-CD1 3.6Å; L81-I103 HydrophobicContact CG-CD1 4.41Å
82S82Confident84.7Confident103 Ų10363.9 Ų63.972%0.7234%0.342SS*.THydrogen-bonded Turntrans-68.619.7-172.471.60000116.1S80S80-S82 PolarHBondContact O-N 2.97Å
83H80.8Confident84.8Confident110 Ų11066.9 Ų66.951%0.50936%0.358SS..THydrogen-bonded Turntrans-116.7-2.2172.260.3-74.4000111.7L81L81-H83 PolarHBondContact O-N 2.79Å
84I87.3Confident84.8Confident1 Ų169.3 Ų69.31%0.00537%0.366CS..  trans-122.1134.1172.9-47.2176.1000105.6I69 L81 I89 N99 L100 I103I69-I84 HydrophobicContact CD1-CB 4.48Å; I69-I84 HydrophobicContact CD1-CG2 3.8Å; I69-I84 HydrophobicContact CG1-CG2 4.41Å; L81-I84 PolarHBondContact O-N 3.02Å; L81-I84 VanDerWaalsContact O-O 3.07Å; I84-I89 HydrophobicContact CG2-CD1 3.62Å; I84-I89 HydrophobicContact CG2-CG1 4.47Å; I84-N99 HydrophobicContact CD1-CB 3.66Å; I84-N99 HydrophobicContact CG1-CB 3.97Å; I84-L100 HydrophobicContact CG2-CB 4.38Å; I84-I103 HydrophobicContact CD1-CD1 3.55Å
85T89Confident84.9Confident44 Ų4468.9 Ų68.927%0.2736%0.361SS..  trans-135.1149.1173.861.30000109.8Q66 E87 N88 I89Q66-T85 VanDerWaalsContact OE1-CA 3.31Å; T85-E87 PolarHBondContact O-N 3.36Å; T85-N88 PolarHBondContact O-N 3.01Å; T85-N88 VanDerWaalsContact O-N 3.12Å; T85-N88 WeakPolarHBondContact OG1-CB 3.41Å; T85-N88 PolarHBondContact OG1-N 3.4Å; T85-N88 PolarHBondContact OG1-OD1 3.06Å; T85-I89 PolarHBondContact O-N 2.96Å
86G87.8Confident85.4Confident0 Ų064.4 Ų64.40%034%0.337CS..Hα-helixtrans-58.9-37.217500000112.1A62 N88 I89 V90A62-G86 WeakPolarHBondContact O-CA 3.48Å; G86-N88 VanDerWaalsContact C-N 3.34Å; G86-N88 PolarHBondContact O-N 2.84Å; G86-I89 PolarHBondContact O-N 3.38Å; G86-V90 WeakPolarHBondContact O-CG2 3.4Å; G86-V90 PolarHBondContact O-N 3.33Å
87E88.9Confident85.8Confident110 Ų11060.4 Ų60.451%0.51432%0.322SS..Hα-helixtrans-58.6-40174.1-167.7-168.9166.500113T85 K91T85-E87 PolarHBondContact O-N 3.36Å; E87-K91 HydrophobicContact CG-CD 4.18Å; E87-K91 WeakPolarHBondContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CD 3.49Å; E87-K91 WeakPolarHBondContact O-CG 3.32Å; E87-K91 PolarHBondContact O-N 3.02Å; E87-K91 IonicContact OE1-NZ 2.8Å; E87-K91 PolarHBondContact OE1-NZ 3.41Å
88N88.8Confident86.3Confident60 Ų6059.1 Ų59.132%0.32131%0.314SS..Hα-helixtrans-71.3-40.2178.4-75.61.4000112T85 G86 K91 G92 D93 S96T85-N88 PolarHBondContact O-N 3.01Å; T85-N88 VanDerWaalsContact O-N 3.12Å; T85-N88 WeakPolarHBondContact OG1-CB 3.41Å; T85-N88 PolarHBondContact OG1-N 3.4Å; T85-N88 PolarHBondContact OG1-OD1 3.06Å; G86-N88 VanDerWaalsContact C-N 3.34Å; G86-N88 PolarHBondContact O-N 2.84Å; N88-K91 CarbonylContact O-C 3.57Å; N88-K91 PolarHBondContact O-N 2.94Å; N88-G92 PolarHBondContact O-N 3.38Å; N88-D93 HydrophobicContact CB-CB 4.11Å; N88-D93 WeakPolarHBondContact O-CB 3.28Å; N88-D93 PolarHBondContact O-N 2.78Å; N88-S96 WeakPolarHBondContact CB-OG 3.27Å; N88-S96 PolarHBondContact ND2-OG 2.98Å
89I89.3Confident86.9Confident4 Ų453.2 Ų53.22%0.02129%0.287CS..Hα-helixtrans-65.6-47.9180-75.4155000110.8F36 V65 I69 I84 T85 G86 K91 G92 I97 L100F36-I89 HydrophobicContact CD2-CG2 3.88Å; F36-I89 HydrophobicContact CE2-CG2 3.61Å; V65-I89 HydrophobicContact CG1-CB 4.16Å; V65-I89 HydrophobicContact CG1-CD1 3.67Å; V65-I89 HydrophobicContact CG1-CG2 4.04Å; I69-I89 HydrophobicContact CD1-CD1 3.86Å; I84-I89 HydrophobicContact CG2-CD1 3.62Å; I84-I89 HydrophobicContact CG2-CG1 4.47Å; T85-I89 PolarHBondContact O-N 2.96Å; G86-I89 PolarHBondContact O-N 3.38Å; I89-K91 PolarHBondContact O-N 2.99Å; I89-G92 PolarHBondContact O-N 3.17Å; I89-I97 HydrophobicContact CB-CG1 4.32Å; I89-I97 HydrophobicContact CG1-CG1 4.03Å; I89-I97 HydrophobicContact CG2-CG1 4.17Å; I89-L100 HydrophobicContact CD1-CB 4.31Å; I89-L100 HydrophobicContact CD1-CD2 3.5Å; I89-L100 VanDerWaalsContact CD1-CD2 3.5Å
90V89.1Confident87.3Confident32 Ų3248.9 Ų48.919%0.19426%0.261CS..THydrogen-bonded Turntrans-72.4-7178.9-177.70000112.1A33 Q58 D61 A62 V65 G86A33-V90 HydrophobicContact CB-CG2 4.38Å; Q58-V90 HydrophobicContact CG-CG1 3.44Å; Q58-V90 VanDerWaalsContact CG-CG1 3.44Å; Q58-V90 PolarHBondContact NE2-O 3.02Å; D61-V90 HydrophobicContact CB-CG1 4.08Å; D61-V90 HydrophobicContact CB-CG2 4.21Å; A62-V90 HydrophobicContact CB-CB 4.46Å; A62-V90 HydrophobicContact CB-CG2 4.49Å; V65-V90 HydrophobicContact CG2-CG2 4.02Å; G86-V90 WeakPolarHBondContact O-CG2 3.4Å; G86-V90 PolarHBondContact O-N 3.33Å
91K86.8Confident88Confident129 Ų12944.5 Ų44.556%0.56123%0.23SC*.THydrogen-bonded Turntrans-96.16166-73173.8-177.6-179.20114E87 N88 I89E87-K91 HydrophobicContact CG-CD 4.18Å; E87-K91 WeakPolarHBondContact O-CB 3.29Å; E87-K91 WeakPolarHBondContact O-CD 3.49Å; E87-K91 WeakPolarHBondContact O-CG 3.32Å; E87-K91 PolarHBondContact O-N 3.02Å; E87-K91 IonicContact OE1-NZ 2.8Å; E87-K91 PolarHBondContact OE1-NZ 3.41Å; N88-K91 CarbonylContact O-C 3.57Å; N88-K91 PolarHBondContact O-N 2.94Å; I89-K91 PolarHBondContact O-N 2.99Å
92G85.9Confident88.3Confident13 Ų1349.6 Ų49.613%0.13425%0.254CS..THydrogen-bonded Turntrans72.824.2177.300000114.6Q29 N88 I89 K94Q29-G92 PolarHBondContact NE2-O 2.79Å; N88-G92 PolarHBondContact O-N 3.38Å; I89-G92 PolarHBondContact O-N 3.17Å; G92-K94 PolarHBondContact O-N 3.32Å
93D89.4Confident88.6Confident62 Ų6246.1 Ų46.133%0.33223%0.227SC..  trans-66.2107.8176.5173.233.3000111.3N88 E95 S96 I97N88-D93 HydrophobicContact CB-CB 4.11Å; N88-D93 WeakPolarHBondContact O-CB 3.28Å; N88-D93 PolarHBondContact O-N 2.78Å; D93-E95 PolarHBondContact O-N 2.87Å; D93-E95 VanDerWaalsContact O-N 3.11Å; D93-E95 PolarHBondContact OD1-N 3.41Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 WeakPolarHBondContact OD2-CB 3.44Å; D93-S96 PolarHBondContact OD2-N 3.39Å; D93-S96 PolarHBondContact OD2-OG 3.3Å; D93-I97 WeakPolarHBondContact O-CB 3.29Å; D93-I97 VanDerWaalsContact O-CG1 3.3Å; D93-I97 WeakPolarHBondContact O-CG1 3.17Å; D93-I97 PolarHBondContact O-N 2.65Å
94K88.8Confident89Confident61 Ų6141 Ų4127%0.26520%0.203SC..Hα-helixtrans-62-20-176-54.7-166.3-177.8-159.10113.6E5 Q29 G92 K98E5-K94 WeakPolarHBondContact OE1-CE 3.45Å; E5-K94 IonicContact OE1-NZ 3.8Å; E5-K94 PolarHBondContact OE1-NZ 3.32Å; E5-K94 IonicContact OE2-NZ 3.29Å; E5-K94 PolarHBondContact OE2-NZ 3.16Å; Q29-K94 HydrophobicContact CG-CG 4.36Å; G92-K94 PolarHBondContact O-N 3.32Å; K94-K98 WeakPolarHBondContact O-CD 3.15Å; K94-K98 WeakPolarHBondContact O-CE 3.37Å; K94-K98 WeakPolarHBondContact O-CG 3.34Å
95E88.3Confident89.1Confident116 Ų11642.8 Ų42.854%0.54221%0.213SC..Hα-helixtrans-84.9-47.7174.6-164.478.8159.200111.2D93 I97 K98 N99D93-E95 PolarHBondContact O-N 2.87Å; D93-E95 VanDerWaalsContact O-N 3.11Å; D93-E95 PolarHBondContact OD1-N 3.41Å; E95-I97 VanDerWaalsContact C-N 3.31Å; E95-I97 PolarHBondContact O-N 2.98Å; E95-K98 PolarHBondContact O-N 2.98Å; E95-N99 VanDerWaalsContact O-CG 3.29Å; E95-N99 PolarHBondContact O-N 3.41Å; E95-N99 PolarHBondContact O-ND2 2.93Å
96S90.5Very high88.9Confident3 Ų342.3 Ų42.32%0.02122%0.216CC..Hα-helixtrans-58-41.4175.1-62.30000112.5N88 D93 N99 L100N88-S96 WeakPolarHBondContact CB-OG 3.27Å; N88-S96 PolarHBondContact ND2-OG 2.98Å; D93-S96 PolarHBondContact O-N 3.38Å; D93-S96 WeakPolarHBondContact OD2-CB 3.44Å; D93-S96 PolarHBondContact OD2-N 3.39Å; D93-S96 PolarHBondContact OD2-OG 3.3Å; S96-N99 PolarHBondContact O-N 2.86Å; S96-L100 PolarHBondContact O-N 3.27Å; S96-L100 VanDerWaalsContact O-N 3.14Å
97I90.4Very high88.8Confident0 Ų043.1 Ų43.10%022%0.221CC..Hα-helixtrans-64-45.2177.3-67.4170.3000111.4L28 C31 F36 I89 D93 E95 L100 L101L28-I97 HydrophobicContact CD2-CB 4.36Å; L28-I97 HydrophobicContact CD2-CG2 3.45Å; L28-I97 VanDerWaalsContact CD2-CG2 3.45Å; C31-I97 HydrophobicContact CB-CD1 4.4Å; C31-I97 HydrophobicContact CB-CG2 3.67Å; F36-I97 HydrophobicContact CZ-CG2 4.09Å; I89-I97 HydrophobicContact CB-CG1 4.32Å; I89-I97 HydrophobicContact CG1-CG1 4.03Å; I89-I97 HydrophobicContact CG2-CG1 4.17Å; D93-I97 WeakPolarHBondContact O-CB 3.29Å; D93-I97 VanDerWaalsContact O-CG1 3.3Å; D93-I97 WeakPolarHBondContact O-CG1 3.17Å; D93-I97 PolarHBondContact O-N 2.65Å; E95-I97 VanDerWaalsContact C-N 3.31Å; E95-I97 PolarHBondContact O-N 2.98Å; I97-L100 PolarHBondContact O-N 3.01Å; I97-L101 HydrophobicContact CG2-CD1 3.97Å; I97-L101 WeakPolarHBondContact O-CG 3.48Å; I97-L101 PolarHBondContact O-N 2.89Å
98K90.1Very high88.6Confident32 Ų3239 Ų3914%0.13920%0.202CC..Hα-helixtrans-62.3-44.8176.9-74.1171.1-168.4172.30112.3W8 L28 K94 E95 L100 L101 E102W8-K98 HydrophobicContact CB-CG 4.26Å; W8-K98 HydrophobicContact CD2-CB 4.1Å; W8-K98 HydrophobicContact CD2-CD 3.91Å; W8-K98 HydrophobicContact CD2-CG 3.59Å; W8-K98 HydrophobicContact CE3-CB 3.99Å; W8-K98 HydrophobicContact CE3-CG 3.86Å; W8-K98 HydrophobicContact CG-CD 3.88Å; W8-K98 HydrophobicContact CG-CG 3.76Å; W8-K98 HydrophobicContact CH2-CB 4.29Å; W8-K98 HydrophobicContact CZ2-CB 4.41Å; W8-K98 HydrophobicContact CZ2-CD 4.49Å; W8-K98 HydrophobicContact CZ3-CB 4.09Å; W8-K98 HydrophobicContact CZ3-CG 4.45Å; L28-K98 HydrophobicContact CD1-CD 4.24Å; L28-K98 HydrophobicContact CD1-CG 3.9Å; L28-K98 HydrophobicContact CD2-CG 4.35Å; K94-K98 WeakPolarHBondContact O-CD 3.15Å; K94-K98 WeakPolarHBondContact O-CE 3.37Å; K94-K98 WeakPolarHBondContact O-CG 3.34Å; E95-K98 PolarHBondContact O-N 2.98Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.38Å; K98-L101 PolarHBondContact O-N 3.27Å; K98-E102 WeakPolarHBondContact O-CB 3.4Å; K98-E102 PolarHBondContact O-N 3.46Å
99N89.9Confident88.5Confident40 Ų4042.6 Ų42.621%0.21422%0.217CC..Hα-helixtrans-60.7-38.5179.1-67.6-42.7000111.3I84 E95 S96 I103I84-N99 HydrophobicContact CD1-CB 3.66Å; I84-N99 HydrophobicContact CG1-CB 3.97Å; E95-N99 VanDerWaalsContact O-CG 3.29Å; E95-N99 PolarHBondContact O-N 3.41Å; E95-N99 PolarHBondContact O-ND2 2.93Å; S96-N99 PolarHBondContact O-N 2.86Å; N99-I103 WeakPolarHBondContact O-CD1 3.27Å; N99-I103 VanDerWaalsContact O-CG1 3.29Å; N99-I103 WeakPolarHBondContact O-CG1 3.39Å; N99-I103 PolarHBondContact O-N 3.29Å; N99-I103 VanDerWaalsContact O-N 3.16Å
100L90.6Very high88.3Confident0 Ų047.9 Ų47.90%024%0.238CC..Hα-helixtrans-72.3-36.3176.2-172.157.4000112.6F36 V65 I69 L72 I84 I89 S96 I97 K98 I103 F104F36-L100 HydrophobicContact CB-CD2 4.4Å; F36-L100 HydrophobicContact CD1-CD2 3.52Å; F36-L100 HydrophobicContact CD1-CG 3.84Å; F36-L100 HydrophobicContact CD2-CD2 4.16Å; F36-L100 HydrophobicContact CE1-CB 4.07Å; F36-L100 HydrophobicContact CE1-CD2 3.67Å; F36-L100 HydrophobicContact CE1-CG 3.7Å; F36-L100 HydrophobicContact CE2-CD2 4.28Å; F36-L100 HydrophobicContact CG-CD2 3.76Å; F36-L100 HydrophobicContact CZ-CB 4.36Å; F36-L100 HydrophobicContact CZ-CD2 4.04Å; F36-L100 HydrophobicContact CZ-CG 4.33Å; V65-L100 HydrophobicContact CG1-CD2 4.41Å; I69-L100 HydrophobicContact CG1-CD1 4.36Å; I69-L100 HydrophobicContact CG1-CD2 4.3Å; L72-L100 HydrophobicContact CD1-CD1 4.04Å; I84-L100 HydrophobicContact CG2-CB 4.38Å; I89-L100 HydrophobicContact CD1-CB 4.31Å; I89-L100 HydrophobicContact CD1-CD2 3.5Å; I89-L100 VanDerWaalsContact CD1-CD2 3.5Å; S96-L100 PolarHBondContact O-N 3.27Å; S96-L100 VanDerWaalsContact O-N 3.14Å; I97-L100 PolarHBondContact O-N 3.01Å; K98-L100 VanDerWaalsContact C-N 3.28Å; K98-L100 PolarHBondContact O-N 3.38Å; L100-I103 WeakPolarHBondContact O-CB 3.48Å; L100-I103 PolarHBondContact O-N 3.1Å; L100-F104 HydrophobicContact CD1-CD2 4.04Å; L100-F104 HydrophobicContact CD1-CE2 3.78Å; L100-F104 HydrophobicContact CD2-CE2 4.24Å; L100-F104 HydrophobicContact CG-CD2 3.95Å; L100-F104 HydrophobicContact CG-CE2 3.81Å; L100-F104 VanDerWaalsContact O-CD2 3.32Å; L100-F104 WeakPolarHBondContact O-CD2 3.44Å; L100-F104 PolarHBondContact O-N 3.48Å
101L89.9Confident87.9Confident1 Ų149 Ų491%0.00524%0.242CC..Hα-helixtrans-66.3-39.5172.9-71.8168.7000112.7A12 L15 L28 F36 L39 I97 K98 I103 F104 D105A12-L101 HydrophobicContact CB-CD1 4.01Å; A12-L101 HydrophobicContact CB-CD2 4.24Å; L15-L101 HydrophobicContact CD2-CD2 3.99Å; L28-L101 HydrophobicContact CD2-CD1 3.89Å; F36-L101 HydrophobicContact CE1-CD2 3.87Å; F36-L101 HydrophobicContact CE1-CG 4.03Å; F36-L101 HydrophobicContact CZ-CD2 4.31Å; F36-L101 HydrophobicContact CZ-CG 4.19Å; L39-L101 HydrophobicContact CD1-CD2 4.34Å; I97-L101 HydrophobicContact CG2-CD1 3.97Å; I97-L101 WeakPolarHBondContact O-CG 3.48Å; I97-L101 PolarHBondContact O-N 2.89Å; K98-L101 PolarHBondContact O-N 3.27Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 3.12Å; L101-F104 PolarHBondContact O-N 2.76Å; L101-D105 PolarHBondContact O-N 2.92Å
102E90.6Very high87.5Confident120 Ų12046.4 Ų46.456%0.56124%0.237SC*.Hα-helixtrans-61.7-39.1174.3-170.5172.6168.700111W8 K98 G106W8-E102 HydrophobicContact CH2-CB 4.04Å; W8-E102 HydrophobicContact CH2-CG 4.4Å; W8-E102 HydrophobicContact CZ3-CB 4.05Å; K98-E102 WeakPolarHBondContact O-CB 3.4Å; K98-E102 PolarHBondContact O-N 3.46Å; E102-G106 PolarHBondContact O-N 2.7Å; E102-G106 VanDerWaalsContact O-N 3.12Å
103I89.6Confident87.2Confident31 Ų3151.3 Ų51.316%0.15926%0.257CS..Hα-helixtrans-63-47.9173.1-73.5164.4000111.5L72 L77 L81 I84 N99 L100 L101 L107L72-I103 HydrophobicContact CD1-CG2 4.26Å; L77-I103 HydrophobicContact CD1-CG2 3.84Å; L81-I103 HydrophobicContact CD1-CD1 3.91Å; L81-I103 HydrophobicContact CD2-CD1 3.6Å; L81-I103 HydrophobicContact CG-CD1 4.41Å; I84-I103 HydrophobicContact CD1-CD1 3.55Å; N99-I103 WeakPolarHBondContact O-CD1 3.27Å; N99-I103 VanDerWaalsContact O-CG1 3.29Å; N99-I103 WeakPolarHBondContact O-CG1 3.39Å; N99-I103 PolarHBondContact O-N 3.29Å; N99-I103 VanDerWaalsContact O-N 3.16Å; L100-I103 WeakPolarHBondContact O-CB 3.48Å; L100-I103 PolarHBondContact O-N 3.1Å; L101-I103 VanDerWaalsContact C-N 3.3Å; L101-I103 PolarHBondContact O-N 3.12Å; I103-L107 HydrophobicContact CG2-CD1 3.73Å; I103-L107 HydrophobicContact CG2-CG 4.45Å; I103-L107 WeakPolarHBondContact O-CB 3.43Å; I103-L107 VanDerWaalsContact O-CG 3.26Å; I103-L107 WeakPolarHBondContact O-CG 3.26Å; I103-L107 PolarHBondContact O-N 3.31Å
104F89.2Confident86.3Confident1 Ų153.9 Ų53.90%0.00426%0.262CS..Hα-helixtrans-69.1-38.4-178.5-83.9-64.6000113.8L15 F36 L39 I43 V68 L72 L100 L101 L107 L108L15-F104 HydrophobicContact CD2-CB 3.77Å; F36-F104 HydrophobicContact CB-CE2 4.46Å; F36-F104 AromaticContact CD1-CD2 3.93Å; F36-F104 HydrophobicContact CD1-CD2 3.93Å; F36-F104 AromaticContact CD1-CE2 3.66Å; F36-F104 HydrophobicContact CD1-CE2 3.66Å; F36-F104 HydrophobicContact CE1-CD2 4.32Å; F36-F104 HydrophobicContact CE1-CE2 4.44Å; L39-F104 HydrophobicContact CB-CD1 4.48Å; L39-F104 HydrophobicContact CB-CE1 4.44Å; L39-F104 HydrophobicContact CB-CZ 4.47Å; I43-F104 HydrophobicContact CD1-CB 4.09Å; I43-F104 HydrophobicContact CD1-CD1 3.65Å; I43-F104 HydrophobicContact CD1-CE1 4.46Å; I43-F104 HydrophobicContact CD1-CG 4.25Å; V68-F104 HydrophobicContact CG1-CE2 4.22Å; V68-F104 HydrophobicContact CG1-CZ 3.75Å; L72-F104 HydrophobicContact CD1-CE1 3.92Å; L72-F104 HydrophobicContact CD1-CE2 4.05Å; L72-F104 HydrophobicContact CD1-CZ 3.65Å; L72-F104 HydrophobicContact CD2-CE1 4.41Å; L100-F104 HydrophobicContact CD1-CD2 4.04Å; L100-F104 HydrophobicContact CD1-CE2 3.78Å; L100-F104 HydrophobicContact CD2-CE2 4.24Å; L100-F104 HydrophobicContact CG-CD2 3.95Å; L100-F104 HydrophobicContact CG-CE2 3.81Å; L100-F104 VanDerWaalsContact O-CD2 3.32Å; L100-F104 WeakPolarHBondContact O-CD2 3.44Å; L100-F104 PolarHBondContact O-N 3.48Å; L101-F104 PolarHBondContact O-N 2.76Å; F104-L107 PolarHBondContact O-N 3.33Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-L108 PolarHBondContact O-N 2.84Å
105D87.4Confident85.2Confident39 Ų3956.6 Ų56.621%0.20928%0.278CS..Hα-helixtrans-68.4-39.6177-160.744.8000111.3I11 L15 K18 L101 L108 E109I11-D105 HydrophobicContact CG2-CB 4.45Å; L15-D105 HydrophobicContact CD1-CB 4.17Å; K18-D105 IonicContact NZ-OD1 2.96Å; K18-D105 PolarHBondContact NZ-OD1 3.18Å; K18-D105 IonicContact NZ-OD2 3.44Å; L101-D105 PolarHBondContact O-N 2.92Å; D105-L108 PolarHBondContact O-N 3.21Å; D105-E109 WeakPolarHBondContact O-CB 3.03Å; D105-E109 PolarHBondContact O-N 2.7Å
106G85.9Confident84Confident34 Ų3454.1 Ų54.135%0.35127%0.273SS..Hα-helixtrans-67.5-35.3173.600000114.1E102 Y110E102-G106 PolarHBondContact O-N 2.7Å; E102-G106 VanDerWaalsContact O-N 3.12Å; G106-Y110 WeakPolarHBondContact O-CB 3.2Å; G106-Y110 PolarHBondContact O-N 3.47Å
107L85.8Confident82.4Confident18 Ų1858.3 Ų58.39%0.09429%0.293CS..Hα-helixtrans-66.2-41.8172.1-78.8167.5000111.7L72 L77 I103 F104 L111L72-L107 HydrophobicContact CD2-CD1 3.67Å; L77-L107 HydrophobicContact CD2-CD2 3.96Å; L77-L107 HydrophobicContact CD2-CG 4.4Å; I103-L107 HydrophobicContact CG2-CD1 3.73Å; I103-L107 HydrophobicContact CG2-CG 4.45Å; I103-L107 WeakPolarHBondContact O-CB 3.43Å; I103-L107 VanDerWaalsContact O-CG 3.26Å; I103-L107 WeakPolarHBondContact O-CG 3.26Å; I103-L107 PolarHBondContact O-N 3.31Å; F104-L107 PolarHBondContact O-N 3.33Å; L107-L111 WeakPolarHBondContact O-CB 3.47Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 2.95Å
108L84.6Confident80.3Confident24 Ų2461.2 Ų61.213%0.12631%0.31CS..Hα-helixtrans-68.9-37.8176.8-179.559000112L15 K18 I43 F104 D105 T112L15-L108 HydrophobicContact CD1-CB 4.35Å; L15-L108 HydrophobicContact CD1-CD2 3.69Å; K18-L108 HydrophobicContact CB-CD2 3.7Å; K18-L108 HydrophobicContact CD-CD2 3.51Å; K18-L108 HydrophobicContact CD-CG 4.44Å; K18-L108 HydrophobicContact CG-CD2 4.27Å; I43-L108 HydrophobicContact CD1-CB 4.32Å; I43-L108 HydrophobicContact CG1-CB 4.43Å; I43-L108 HydrophobicContact CG1-CD1 4.37Å; I43-L108 HydrophobicContact CG2-CB 4.33Å; I43-L108 HydrophobicContact CG2-CD1 4.46Å; F104-L108 WeakPolarHBondContact O-CB 3.42Å; F104-L108 PolarHBondContact O-N 2.84Å; D105-L108 PolarHBondContact O-N 3.21Å; L108-T112 VanDerWaalsContact O-CB 3.29Å; L108-T112 WeakPolarHBondContact O-CB 3.36Å; L108-T112 PolarHBondContact O-N 2.84Å; L108-T112 PolarHBondContact O-OG1 2.78Å
109E86.3Confident78.4Confident135 Ų13563 Ų6363%0.63133%0.327SS*.Hα-helixtrans-59.5-52.6172.4-175.5170.4-133.500110.6D105 L111 T112 E113D105-E109 WeakPolarHBondContact O-CB 3.03Å; D105-E109 PolarHBondContact O-N 2.7Å; E109-L111 PolarHBondContact O-N 3.45Å; E109-T112 PolarHBondContact O-N 3.31Å; E109-T112 VanDerWaalsContact O-N 3.17Å; E109-E113 WeakPolarHBondContact O-CB 3.47Å; E109-E113 PolarHBondContact O-N 2.83Å
110Y84.6Confident76.3Confident115 Ų11566.3 Ų66.345%0.45134%0.341SS..Hα-helixtrans-58.1-43.8177173.6-109.7000113.1G106 E113 R114G106-Y110 WeakPolarHBondContact O-CB 3.2Å; G106-Y110 PolarHBondContact O-N 3.47Å; Y110-E113 PolarHBondContact O-N 3.46Å; Y110-R114 HydrophobicContact CD2-CG 4.34Å; Y110-R114 HydrophobicContact CE1-CG 4.22Å; Y110-R114 HydrophobicContact CE2-CG 3.96Å; Y110-R114 WeakPolarHBondContact O-CB 3.38Å; Y110-R114 VanDerWaalsContact O-CG 3.28Å; Y110-R114 WeakPolarHBondContact O-CG 3.49Å; Y110-R114 PolarHBondContact O-N 2.83Å; Y110-R114 PolarHBondContact OH-NE 3.39Å; Y110-R114 PolarHBondContact OH-NH2 2.99Å; Y110-R114 VanDerWaalsContact OH-NH2 3.14Å
111L80.5Confident74.1Confident55 Ų5572.2 Ų72.229%0.28837%0.368SS..Hα-helixtrans-67.9-36.2177.4-71169.5000112.2I43 L44 L107 E109 R114 I115I43-L111 HydrophobicContact CG2-CD1 3.78Å; L44-L111 HydrophobicContact CD2-CD1 3.99Å; L107-L111 WeakPolarHBondContact O-CB 3.47Å; L107-L111 VanDerWaalsContact O-CG 3.3Å; L107-L111 WeakPolarHBondContact O-CG 3.49Å; L107-L111 PolarHBondContact O-N 2.95Å; E109-L111 PolarHBondContact O-N 3.45Å; L111-R114 PolarHBondContact O-N 3.24Å; L111-I115 WeakPolarHBondContact O-CB 3.5Å; L111-I115 WeakPolarHBondContact O-CD1 3.38Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.37Å; L111-I115 PolarHBondContact O-N 2.87Å
112T79.3Confident72Confident75 Ų7578.7 Ų78.746%0.4640%0.397SS..Hα-helixtrans-67.6-39.9174.7-54.50000111.4L108 E109 I115 S116L108-T112 VanDerWaalsContact O-CB 3.29Å; L108-T112 WeakPolarHBondContact O-CB 3.36Å; L108-T112 PolarHBondContact O-N 2.84Å; L108-T112 PolarHBondContact O-OG1 2.78Å; E109-T112 PolarHBondContact O-N 3.31Å; E109-T112 VanDerWaalsContact O-N 3.17Å; T112-I115 PolarHBondContact O-N 3.48Å; T112-S116 WeakPolarHBondContact O-CB 2.99Å; T112-S116 PolarHBondContact O-N 2.94Å; T112-S116 PolarHBondContact O-OG 3.03Å
113E79.8Confident69.6Low116 Ų11675.3 Ų75.354%0.54239%0.386SS..Hα-helixtrans-62.6-48.5173.8-170.1170.6-134.300110.5E109 Y110 I115 S116 E117E109-E113 WeakPolarHBondContact O-CB 3.47Å; E109-E113 PolarHBondContact O-N 2.83Å; Y110-E113 PolarHBondContact O-N 3.46Å; E113-I115 PolarHBondContact O-N 3.46Å; E113-S116 CarbonylContact O-C 3.53Å; E113-S116 WeakPolarHBondContact O-CA 3.44Å; E113-S116 WeakPolarHBondContact O-CB 3.25Å; E113-S116 PolarHBondContact O-N 3.26Å; E113-E117 WeakPolarHBondContact O-CG 3.28Å; E113-E117 PolarHBondContact O-N 2.9Å
114R69.7Low67.2Low115 Ų11578.6 Ų78.643%0.43440%0.401SS..Hα-helixtrans-57.9-41.2174.6-74.1-57.7-158.3173.15.4114.1Y110 L111 S116 E117 T118Y110-R114 HydrophobicContact CD2-CG 4.34Å; Y110-R114 HydrophobicContact CE1-CG 4.22Å; Y110-R114 HydrophobicContact CE2-CG 3.96Å; Y110-R114 WeakPolarHBondContact O-CB 3.38Å; Y110-R114 VanDerWaalsContact O-CG 3.28Å; Y110-R114 WeakPolarHBondContact O-CG 3.49Å; Y110-R114 PolarHBondContact O-N 2.83Å; Y110-R114 PolarHBondContact OH-NE 3.39Å; Y110-R114 PolarHBondContact OH-NH2 2.99Å; Y110-R114 VanDerWaalsContact OH-NH2 3.14Å; L111-R114 PolarHBondContact O-N 3.24Å; R114-S116 VanDerWaalsContact C-N 3.29Å; R114-E117 VanDerWaalsContact CD-OE2 3.29Å; R114-E117 WeakPolarHBondContact CD-OE2 3.21Å; R114-E117 IonicContact CZ-OE2 3.48Å; R114-E117 IonicContact NE-OE2 3.48Å; R114-E117 IonicContact NH1-OE2 3.46Å; R114-E117 PolarHBondContact NH1-OE2 3.44Å; R114-T118 WeakPolarHBondContact O-CB 3.25Å; R114-T118 WeakPolarHBondContact O-CG2 3.31Å; R114-T118 PolarHBondContact O-N 2.96Å; R114-T118 PolarHBondContact O-OG1 3.34Å
115I65.7Low64.9Low118 Ų11883.5 Ų83.561%0.60543%0.431SS*.Hα-helixtrans-67.3-34.9176.1-70.2164.3000110.4L111 T112 E113 T118 S119L111-I115 WeakPolarHBondContact O-CB 3.5Å; L111-I115 WeakPolarHBondContact O-CD1 3.38Å; L111-I115 VanDerWaalsContact O-CG1 3.23Å; L111-I115 WeakPolarHBondContact O-CG1 3.37Å; L111-I115 PolarHBondContact O-N 2.87Å; T112-I115 PolarHBondContact O-N 3.48Å; E113-I115 PolarHBondContact O-N 3.46Å; I115-T118 PolarHBondContact O-OG1 2.91Å; I115-S119 WeakPolarHBondContact O-CB 3.49Å; I115-S119 PolarHBondContact O-N 3.29Å; I115-S119 VanDerWaalsContact O-N 3.08Å
116S62.7Low62.4Low64 Ų6489 Ų8945%0.44846%0.455SS..Hα-helixtrans-69.5-49.7175.7-54.90000111.6T112 E113 R114 T118 S119 H120T112-S116 WeakPolarHBondContact O-CB 2.99Å; T112-S116 PolarHBondContact O-N 2.94Å; T112-S116 PolarHBondContact O-OG 3.03Å; E113-S116 CarbonylContact O-C 3.53Å; E113-S116 WeakPolarHBondContact O-CA 3.44Å; E113-S116 WeakPolarHBondContact O-CB 3.25Å; E113-S116 PolarHBondContact O-N 3.26Å; R114-S116 VanDerWaalsContact C-N 3.29Å; S116-T118 PolarHBondContact O-N 3.04Å; S116-S119 PolarHBondContact O-N 3.41Å; S116-S119 VanDerWaalsContact O-N 3.11Å; S116-S119 PolarHBondContact O-OG 3.14Å; S116-H120 PolarHBondContact O-N 3.36Å
117E58.3Low60.1Low92 Ų9294 Ų9443%0.4347%0.47SS..Hα-helixtrans-53.2-53174-71.8-175.1143.200111.2E113 R114 S119 H120 E121E113-E117 WeakPolarHBondContact O-CG 3.28Å; E113-E117 PolarHBondContact O-N 2.9Å; R114-E117 VanDerWaalsContact CD-OE2 3.29Å; R114-E117 WeakPolarHBondContact CD-OE2 3.21Å; R114-E117 IonicContact CZ-OE2 3.48Å; R114-E117 IonicContact NE-OE2 3.48Å; R114-E117 IonicContact NH1-OE2 3.46Å; R114-E117 PolarHBondContact NH1-OE2 3.44Å; E117-S119 PolarHBondContact O-N 2.83Å; E117-H120 WeakPolarHBondContact O-CA 3.41Å; E117-H120 WeakPolarHBondContact O-CB 3.49Å; E117-H120 PolarHBondContact O-N 2.72Å; E117-E121 PolarHBondContact O-N 3.45Å
118T46.4Very low57.6Low60 Ų60103.3 Ų103.337%0.36851%0.505SS..Hα-helixtrans-72.9-9.7-178.8580000114.2R114 I115 S116 K122R114-T118 WeakPolarHBondContact O-CB 3.25Å; R114-T118 WeakPolarHBondContact O-CG2 3.31Å; R114-T118 PolarHBondContact O-N 2.96Å; R114-T118 PolarHBondContact O-OG1 3.34Å; I115-T118 PolarHBondContact O-OG1 2.91Å; S116-T118 PolarHBondContact O-N 3.04Å; T118-K122 VanDerWaalsContact O-CD 3.26Å; T118-K122 WeakPolarHBondContact O-CD 3.39Å; T118-K122 VanDerWaalsContact O-CG 3.29Å; T118-K122 WeakPolarHBondContact O-CG 3.45Å
119S48.8Very low55.1Low70 Ų70111.2 Ų111.249%0.4954%0.539SS..Hα-helixtrans-83-34.7163.380.90000111.9I115 S116 E117 K122 S123I115-S119 WeakPolarHBondContact O-CB 3.49Å; I115-S119 PolarHBondContact O-N 3.29Å; I115-S119 VanDerWaalsContact O-N 3.08Å; S116-S119 PolarHBondContact O-N 3.41Å; S116-S119 VanDerWaalsContact O-N 3.11Å; S116-S119 PolarHBondContact O-OG 3.14Å; E117-S119 PolarHBondContact O-N 2.83Å; S119-K122 PolarHBondContact O-N 2.97Å; S119-S123 PolarHBondContact O-N 3.11Å; S119-S123 VanDerWaalsContact O-N 3.1Å; S119-S123 PolarHBondContact O-OG 2.94Å
120H46.9Very low52.6Low110 Ų110113.7 Ų113.751%0.50955%0.548SS..Hα-helixtrans-70.5-42.9178-142-67.3000111.8S116 E117 K122 S123 E124S116-H120 PolarHBondContact O-N 3.36Å; E117-H120 WeakPolarHBondContact O-CA 3.41Å; E117-H120 WeakPolarHBondContact O-CB 3.49Å; E117-H120 PolarHBondContact O-N 2.72Å; H120-K122 PolarHBondContact O-N 3.03Å; H120-S123 WeakPolarHBondContact CA-OG 3.41Å; H120-S123 PolarHBondContact O-N 2.73Å; H120-S123 VanDerWaalsContact O-N 3.14Å; H120-S123 PolarHBondContact O-OG 2.71Å; H120-E124 IonicContact CE1-OE1 3.99Å; H120-E124 PolarHBondContact CE1-OE1 3.39Å; H120-E124 IonicContact ND1-OE1 2.65Å; H120-E124 PolarHBondContact ND1-OE1 3.08Å; H120-E124 WeakPolarHBondContact O-CG 3.22Å; H120-E124 PolarHBondContact O-N 3.23Å
121E44.7Very low50Low123 Ų123117.7 Ų117.758%0.57557%0.57SS**Hα-helixtrans-59-34.9173.2-70.2-175.1139.400111.9E117 T125E117-E121 PolarHBondContact O-N 3.45Å; E121-T125 PolarHBondContact O-N 2.67Å; E121-T125 PolarHBondContact O-OG1 2.8Å
122K44.1Very low47.6Very low137 Ų137119.8 Ų119.860%0.59659%0.59SS**Hα-helixtrans-75.4-27.6177.4-75.5174.7-172.4161.10113.5T118 S119 H120 Q126T118-K122 VanDerWaalsContact O-CD 3.26Å; T118-K122 WeakPolarHBondContact O-CD 3.39Å; T118-K122 VanDerWaalsContact O-CG 3.29Å; T118-K122 WeakPolarHBondContact O-CG 3.45Å; S119-K122 PolarHBondContact O-N 2.97Å; H120-K122 PolarHBondContact O-N 3.03Å; K122-Q126 WeakPolarHBondContact O-CG 3.44Å
123S41Very low45.2Very low49 Ų49122.4 Ų122.434%0.34360%0.601SS.*Hα-helixtrans-76.9-40.9168.541.40000112S119 H120 T125 Q126 Q127S119-S123 PolarHBondContact O-N 3.11Å; S119-S123 VanDerWaalsContact O-N 3.1Å; S119-S123 PolarHBondContact O-OG 2.94Å; H120-S123 WeakPolarHBondContact CA-OG 3.41Å; H120-S123 PolarHBondContact O-N 2.73Å; H120-S123 VanDerWaalsContact O-N 3.14Å; H120-S123 PolarHBondContact O-OG 2.71Å; S123-T125 PolarHBondContact O-N 3.35Å; S123-Q126 CarbonylContact O-C 3.6Å; S123-Q126 WeakPolarHBondContact O-CA 3.35Å; S123-Q126 PolarHBondContact O-N 2.75Å; S123-Q127 PolarHBondContact O-N 3.36Å
124E40.4Very low42.7Very low100 Ų100128.3 Ų128.347%0.46762%0.618SS.*Hα-helixtrans-64.1-41179.4-75.2176.8-166.300112.1H120 Q126 Q127 Y128H120-E124 IonicContact CE1-OE1 3.99Å; H120-E124 PolarHBondContact CE1-OE1 3.39Å; H120-E124 IonicContact ND1-OE1 2.65Å; H120-E124 PolarHBondContact ND1-OE1 3.08Å; H120-E124 WeakPolarHBondContact O-CG 3.22Å; H120-E124 PolarHBondContact O-N 3.23Å; E124-Q126 PolarHBondContact O-N 3.15Å; E124-Q127 PolarHBondContact O-N 2.77Å; E124-Y128 PolarHBondContact O-N 2.95Å
125T39.1Very low40.6Very low105 Ų105126.4 Ų126.464%0.64464%0.635SS**Hα-helixtrans-69.2-12.3172.945.20000114.4E121 S123E121-T125 PolarHBondContact O-N 2.67Å; E121-T125 PolarHBondContact O-OG1 2.8Å; S123-T125 PolarHBondContact O-N 3.35Å
126Q36.5Very low38.7Very low153 Ų153129.7 Ų129.772%0.71565%0.648SS**Hα-helixtrans-99.4-21.3170.9-70-173.212.200113.6K122 S123 E124K122-Q126 WeakPolarHBondContact O-CG 3.44Å; S123-Q126 CarbonylContact O-C 3.6Å; S123-Q126 WeakPolarHBondContact O-CA 3.35Å; S123-Q126 PolarHBondContact O-N 2.75Å; E124-Q126 PolarHBondContact O-N 3.15Å
127Q37Very low36.8Very low140 Ų140137 Ų13765%0.65467%0.665SS**Hα-helixtrans-75-33.6176.3-99.7173.8-55.700112.9S123 E124 F129 K130S123-Q127 PolarHBondContact O-N 3.36Å; E124-Q127 PolarHBondContact O-N 2.77Å; Q127-F129 PolarHBondContact O-N 3.44Å; Q127-K130 PolarHBondContact O-N 2.81Å
128Y32.9Very low35.2Very low213 Ų213139.1 Ų139.184%0.83568%0.679SS**THydrogen-bonded Turntrans-69.41.8-179-98.1-79.3000116.3E124E124-Y128 PolarHBondContact O-N 2.95Å
129F32.3Very low34.4Very low191 Ų191143.8 Ų143.884%0.83870%0.697SS**THydrogen-bonded Turntrans-124.817.7178.6-90.6-75.9000114.2Q127Q127-F129 PolarHBondContact O-N 3.44Å
130K34.3Very low33.2Very low187 Ų187149 Ų14981%0.81371%0.713SS**  trans-138.532.4-174-136.9175.9-173.7-179.70116.2Q127Q127-K130 PolarHBondContact O-N 2.81Å
131E29.2Very low33Very low198 Ų198148.3 Ų148.393%0.92572%0.719SS**  trans-122.858.1177.2-159.5156.4-129.400112.6
132S29.9Very low32.1Very low100 Ų100151 Ų15170%0.69973%0.731SS**SBendtrans-142.8155.2152.3-166.20000108.3
133D29.9Very low31.2Very low129 Ų129148.6 Ų148.669%0.6973%0.732SS**SBendtrans60.871.7172.9-68.933.7000116.4
134R27.7Very low30.6Very low240 Ų240152 Ų15291%0.90675%0.751SS**  174.1133.9101.1-90.6159.8-156.9-92-5.8112.4
135G25.6Very low30.2Very low76 Ų76155.9 Ų155.978%0.78477%0.766SS**  trans-115.3107.315400000109.7
136E25.4Very low29.5Very low187 Ų187158.9 Ų158.987%0.87477%0.773SS**  trans-171.599.8143.4-108.9-176.3154.500112.4
137R21.5Very low29.1Very low216 Ų216155.5 Ų155.582%0.81577%0.766SS**  24.8117.6129.9-163.6-157-176.9167.82.8119.1
138L26.3Very low28.5Very low138 Ų138157.7 Ų157.772%0.72377%0.773SS**  -173.1142113.6-12083.6000112.3
139E28.2Very low28.1Very low157 Ų157152.7 Ų152.773%0.73477%0.77SS**  trans46.9119.8152-50-37.89900124
140E25.2Very low27.8Very low179 Ų179148.7 Ų148.784%0.83677%0.765SS**  trans-65.6174.7140.2-95.5-167.4153.200110.9
141P41.3Very low27.4Very low97 Ų97152.8 Ų152.863%0.6378%0.776SS**  cis-151.9-165.831.246.6-25.4000117.3
142E26Very low27.2Very low178 Ų178152.7 Ų152.783%0.83277%0.772SS**  trans70.6148.2152.8-74.3-175.3-165.700120
143S26Very low27Very low87 Ų87158.6 Ų158.661%0.60878%0.779SS**  cis-164.3172.3-16.559.10000111.9
144T28.7Very low26.7Very low122 Ų122158.7 Ų158.775%0.74878%0.784SS**  trans64.8122.8167.960.60000117.1
145K30.9Very low26.6Very low180 Ų180151.7 Ų151.778%0.78377%0.772SS**  cis94120.846.8-83.4-170.3175.6-174.50113.5
146E25.1Very low26.4Very low169 Ų169158.6 Ų158.679%0.7978%0.781SS**  trans68.3151.1159-62.6-177.6-130.400117
147S27Very low26.4Very low81 Ų81153 Ų15357%0.56677%0.773SS**  cis-161.9142.7-15.5-107.40000111.3
148K24.9Very low26.4Very low187 Ų187154.8 Ų154.881%0.81378%0.78SS**  trans63.3121.8153.5-61.3172-176.8171.30120.8
149S25Very low26.2Very low108 Ų108153.4 Ų153.476%0.75578%0.781SS**  trans53.8117.5139.963.40000121.1
150S26.6Very low26.1Very low107 Ų107150.8 Ų150.875%0.74878%0.78SS**  169113.193.549.40000112.1
151W24.6Very low26.2Very low272 Ų272150 Ų150100%1.0378%0.78SS**  trans-106.8102.3175-82.219.4000110.2
152K24.9Very low25.4Very low196 Ų196149.5 Ų149.585%0.85278%0.779SS**  trans-12092.9-175.5-167.3176.3-177.21790112.2
153R26.9Very low25.5Very low225 Ų225146.3 Ų146.385%0.84978%0.776SS**  trans19.7113.8148.9-174.5-171.7-63.8176.6-0.5118
154V23.8Very low25.5Very low131 Ų131150.3 Ų150.379%0.79479%0.785SS**  trans-135.3108.7150.2-1780000104.9
155S25.8Very low25.5Very low92 Ų92149.9 Ų149.964%0.64378%0.783SS**  72.588.164.9-58.10000112.9
156F21.2Very low25.4Very low222 Ų222149.2 Ų149.297%0.97479%0.787SS**  trans-77.6137.9172.2-86.4-87.5000112
157G23.6Very low25.4Very low69 Ų69144.6 Ų144.671%0.71179%0.785SS**  trans155106.8158.900000115.2
158R22.9Very low26.6Very low254 Ų254146.9 Ų146.996%0.95880%0.798SS**  -170.2163.1125.2-109.5179.4-174.7-1401.1114.2
159C21.4Very low26.6Very low109 Ų109142.8 Ų142.874%0.73679%0.793SS**  trans-67.5151.1-176.5-41.50000115.3
160S26.7Very low26.9Very low102 Ų102148.7 Ų148.771%0.71380%0.798SS**  79.9137.7124.7-69.80000123.3
161L26.3Very low27Very low162 Ų162150.7 Ų150.785%0.84880%0.801SS**  trans71.3148.2151.9-62.7157000117.5
162S24.8Very low27.3Very low87 Ų87140.4 Ų140.461%0.60878%0.779SS**  cis-175.3148-20.848.90000111.3
163S28.3Very low27.8Very low110 Ų110138.4 Ų138.477%0.76978%0.778SS**  trans62.2178.4163.2-480000114.3
164E25.3Very low28.4Very low171 Ų171136.7 Ų136.780%0.79978%0.779SS**  cis-156.3143.80.6-142.7164.3-179.200104.3
165T29.1Very low29.1Very low113 Ų113135 Ų13569%0.69378%0.78SS**  -171.9147.359.642.40000111.3
166L28.7Very low30.2Very low167 Ų167140.6 Ų140.687%0.87480%0.796SS**  trans24.1134.3130-58161.6000121.8
167G26.3Very low31.5Very low72 Ų72134.2 Ų134.274%0.74278%0.778SS**  trans-90.1-133.5161.600000112.2
168P51.3Low32.6Very low129 Ų129136.8 Ų136.884%0.83878%0.781SS**  cis-137.8175.9-9.643.2-27.5000115.1
169S26.2Very low33.7Very low101 Ų101127.4 Ų127.471%0.70676%0.763SS**  trans-167.9133.6151.759.10000115.4
170W29.9Very low35Very low232 Ų232130.5 Ų130.588%0.87977%0.767SS**  13.6145.6125.8-52.596.2000119.4
171D29.9Very low36.1Very low148 Ų148132.7 Ų132.779%0.79177%0.769SS**  cis-172.2173.1-10.5-162.71000108.4
172G30.9Very low37.3Very low57 Ų57132.2 Ų132.259%0.58877%0.766SS**  trans112.4107.6157.300000119.5
173D34.3Very low38.4Very low154 Ų154138 Ų13882%0.82477%0.774SS**  trans60.4126.4138.9-58.9-15.5000125.1
174E38.9Very low39.1Very low188 Ų188139.9 Ų139.988%0.87978%0.775SS**  trans48.590.2132.8-57.6-166.1152.700120.9
175A38.9Very low40Very low97 Ų97134.7 Ų134.780%0.80277%0.767SS**  trans-15778.714400000112.4S177A175-S177 PolarHBondContact O-N 2.91Å
176E48.5Very low40.6Very low209 Ų209136.9 Ų136.998%0.97777%0.774SS**  trans-68.597.7165.7-70.6-168.6150.600109.9
177S49.2Very low41.6Very low87 Ų87135.2 Ų135.261%0.60877%0.771SS**  trans-149.7115.5173.3-161.40000114.4A175 G179A175-S177 PolarHBondContact O-N 2.91Å; S177-G179 PolarHBondContact O-N 3.23Å
178T46.9Very low42.1Very low124 Ų124136.2 Ų136.276%0.76177%0.772SS**SBendtrans53.51.1147.857.90000120.9E180T178-E180 PolarHBondContact O-N 3.47Å
179G46.2Very low41.5Very low57 Ų57138.8 Ų138.859%0.58877%0.773SS**  trans-74-23.3-172.500000117.6S177S177-G179 PolarHBondContact O-N 3.23Å
180E49.2Very low41.9Very low174 Ų174140.4 Ų140.481%0.81378%0.779SS**G310 helixtrans-84-19.9-164.2-60.7-152.3125.100115.7T178 I182 R183T178-E180 PolarHBondContact O-N 3.47Å; E180-I182 PolarHBondContact O-N 2.96Å; E180-I182 VanDerWaalsContact O-N 3.12Å; E180-R183 PolarHBondContact O-N 3.36Å
181I49.7Very low41.9Very low148 Ų148140.2 Ų140.276%0.75978%0.784SS**G310 helixtrans-64.6-22.6-172-70.1171.4000113.1
182I50.3Low42.1Very low152 Ų152138.5 Ų138.578%0.77978%0.784SS**G310 helixtrans-90.8-10.1-171.3-62.2175.2000112.9E180E180-I182 PolarHBondContact O-N 2.96Å; E180-I182 VanDerWaalsContact O-N 3.12Å
183R47.8Very low42.2Very low208 Ų208143.6 Ų143.679%0.78580%0.797SS**  trans-104.827.9-171-71-168.263.1-122.9-6.7116.3E180E180-R183 PolarHBondContact O-N 3.36Å
184L44.3Very low42.1Very low150 Ų150148.5 Ų148.579%0.78580%0.804SS**  trans-105.723.8177.6-65.6177.3000114.6
185G43.6Very low41.7Very low61 Ų61144.1 Ų144.163%0.62979%0.794SS**SBendtrans-86.7-32.5176.400000115.6
186D42.4Very low41.3Very low160 Ų160147.3 Ų147.386%0.85680%0.798SS**SBendtrans-106.122.4-153.8-61.2-42.2000116.1
187T48.5Very low40.2Very low132 Ų132141 Ų14181%0.8179%0.789SS**  trans-117.851.1-176.825.60000114.1
188A37Very low39.2Very low92 Ų92141.6 Ų141.676%0.7680%0.799SS**  trans-119.522.417700000114.7
189H37.9Very low38.4Very low183 Ų183144.8 Ų144.885%0.84781%0.805SS**  trans-14860.1-171.4-125.8-68000117.4
190T35.3Very low37.4Very low136 Ų136148.3 Ų148.383%0.83482%0.819SS**  trans-167.292.2153.125.70000112.2
191F30Very low37.1Very low227 Ų227145.7 Ų145.7100%0.99682%0.817SS**  trans-157.580.5154.6-106.2-66.7000111.5
192S34.4Very low36.1Very low112 Ų112146 Ų14678%0.78382%0.82SS**  trans-153.6156.7161.7-1690000108.6
193L31.9Very low35.1Very low165 Ų165146.3 Ų146.386%0.86482%0.818SS**  trans62.682.3178.9-62.6156.9000116.5
194R32.3Very low34.4Very low257 Ų257143.2 Ų143.297%0.9782%0.815SS**  -157.9120.3122.6-117177.3-177.5-164.2-0.7113.3
195S30.7Very low33.9Very low96 Ų96143.2 Ų143.267%0.67182%0.815SS**  trans-139.1156.5160.854.90000108.7
196N30.2Very low33.3Very low164 Ų164145.3 Ų145.388%0.87782%0.82SS**  trans72.4130.3171.9-48.7-25.1000118.4
197G27.4Very low32.9Very low77 Ų77146.9 Ų146.979%0.79482%0.819SS**  trans124.5117.1142.600000117.9
198A26.3Very low32.1Very low98 Ų98149.8 Ų149.881%0.8182%0.82SS**  trans51.5117162.700000118.3
199Q30.7Very low31.6Very low192 Ų192151.4 Ų151.490%0.89782%0.821SS**  58.5108.968.7-67.1-166.95.400115.7
200C26.5Very low31.1Very low131 Ų131147.9 Ų147.989%0.88582%0.817SS**  trans-158.8151.4132.3-124.20000109.8
201P41.4Very low30.7Very low118 Ų118146.1 Ų146.177%0.76682%0.816SS**  trans-105.3165.5-17439.5-33.9000113.8
202N29.5Very low30.6Very low154 Ų154140.5 Ų140.582%0.82481%0.805SS**  trans-156.9165.4138.5-144.5-9.6000113.6
203E29.3Very low31.1Very low159 Ų159140.7 Ų140.774%0.74380%0.803SS**  trans-93.5179-177.5-46.3176.812100110.8
204M32.9Very low30.7Very low143 Ų143137.5 Ų137.570%0.70480%0.795SS**  cis-158.4145.84.4-148.6161.463.500112.9
205L33.8Very low30.6Very low150 Ų150133.3 Ų133.379%0.78578%0.784SS**  trans40.4130.8149.1-76170.2000123.1
206S30.6Very low30.5Very low105 Ų105137.2 Ų137.273%0.73479%0.789SS**  -151.4132.1112.478.50000114.7
207K33.6Very low30.3Very low193 Ų193134 Ų13484%0.83978%0.78SS**  trans33.8141.3137.5-62.5165.8-173.2169.20120.2
208K32Very low30.2Very low193 Ų193140.1 Ų140.184%0.83978%0.779SS**  cis-179.3152.7-6.5-175179.6-175.6-1750108.2
209T26.4Very low30.4Very low127 Ų127142 Ų14278%0.77977%0.77SS**  trans168.7155.1133.9-71.70000112.2
210S28.5Very low30.2Very low109 Ų109139.2 Ų139.276%0.76276%0.762SS**  trans-68.5173-17452.30000115.3
211A25.8Very low30.3Very low98 Ų98138.4 Ų138.481%0.8175%0.752SS**  cis-149.8178.619.700000114.7
212S28.3Very low29.8Very low110 Ų110139.4 Ų139.477%0.76975%0.751SS**  trans-114.6-173174.772.10000109.2
213P44.1Very low29.7Very low115 Ų115142.3 Ų142.375%0.74775%0.752SS**  cis-137.3-176.818.243.6-24.2000117
214S24.8Very low29.4Very low98 Ų98139.8 Ų139.869%0.68575%0.752SS**  trans-89.9171168.356.20000112.3
215F29Very low29.7Very low170 Ų170138.1 Ų138.175%0.74675%0.752SS**  -173.2144.7126.4-101.5-66.8000113.5
216K29.4Very low29.4Very low178 Ų178136 Ų13677%0.77475%0.749SS**  trans4.9153.1144.9-70.2173.8-167.8177.10120
217S25.9Very low29.2Very low97 Ų97137.1 Ų137.168%0.67875%0.751SS**  cis174.2164.1-2.551.40000111.9
218R26.4Very low29Very low205 Ų205135.7 Ų135.777%0.77475%0.752SS**  trans68.3140.6139.2-178.4174.6179.6149.618118
219E29.1Very low28.7Very low136 Ų136131.4 Ų131.464%0.63675%0.746SS**  cis-131.1-137.5-3.1-143.5133.4-123.900108.8
220D27.4Very low28.9Very low135 Ų135134.2 Ų134.272%0.72275%0.748SS**  cis-160.2179.9-0.6-155.9-3.1000112.3
221V29.1Very low29Very low113 Ų113136.6 Ų136.669%0.68575%0.752SS**  trans57.682.1161.8-160.50000120.9
222L29.8Very low29.2Very low139 Ų139142.4 Ų142.473%0.72875%0.753SS**  29147.7117.8-63.6170.5000124.8
223Y27.2Very low29.3Very low216 Ų216141.2 Ų141.285%0.84774%0.741SS**  trans91119.4152.9-72.6-65.3000122.7
224S22.7Very low28.4Very low106 Ų106141 Ų14174%0.74174%0.742SS**  trans-93.1-171.5159.3-32.20000110.1
225P40.6Very low28.6Very low108 Ų108143.2 Ų143.270%0.70174%0.74SS**  cis-140.2161.9-7.739.1-20.3000117.4
226S26.3Very low28.6Very low106 Ų106141 Ų14174%0.74174%0.74SS**  trans70.2163.5138.568.30000123.6
227V26.1Very low28.8Very low127 Ų127139 Ų13977%0.7773%0.733SS**  trans86.997.9161.4-164.80000120.4
228L30.2Very low28.9Very low163 Ų163140.4 Ų140.485%0.85373%0.733SS**  46.1130.4128.1-157.579000122.8
229S26.1Very low29.3Very low103 Ų103136.3 Ų136.372%0.7273%0.731SS**  trans147.8105.6142.1-174.80000110.9
230K30.8Very low29.5Very low187 Ų187137.2 Ų137.281%0.81374%0.735SS**  62.4120.889.4-78-174.9175.6179.30117
231N30.7Very low29.4Very low158 Ų158137.9 Ų137.985%0.84574%0.744SS**  trans172.3131.7143.7-85-16000105.9
232R29.1Very low29.2Very low221 Ų221139.2 Ų139.283%0.83475%0.747SS**  cis67.213524.2-117.8-156.3173.7-149.4-1113.1
233T30.4Very low29.5Very low84 Ų84137.3 Ų137.352%0.51575%0.745SS.*  cis-161.5152.816-35.10000113.1F235T233-F235 HydrophobicContact CG2-CD2 4.01Å; T233-F235 HydrophobicContact CG2-CE2 4.33Å
234S26Very low29.6Very low111 Ų111133.5 Ų133.578%0.77674%0.744SS**  trans-157.3125.1139.642.40000107.3
235F27.3Very low29.8Very low145 Ų145133.8 Ų133.864%0.63675%0.746SS**  62128.268-83.3-100.8000112.4T233 E237T233-F235 HydrophobicContact CG2-CD2 4.01Å; T233-F235 HydrophobicContact CG2-CE2 4.33Å; F235-E237 HydrophobicContact CD1-CG 3.9Å; F235-E237 HydrophobicContact CE1-CG 3.8Å; F235-E237 WeakPolarHBondContact CE1-OE1 3.11Å
236V29.9Very low29.3Very low123 Ų123140 Ų14075%0.74576%0.755SS**  cis-126.8134.539.2164.60000109.9
237E32.8Very low29.6Very low135 Ų135142.7 Ų142.763%0.63176%0.76SS**  65.8144.976.6-90.7172.2158.900113.4F235F235-E237 HydrophobicContact CD1-CG 3.9Å; F235-E237 HydrophobicContact CE1-CG 3.8Å; F235-E237 WeakPolarHBondContact CE1-OE1 3.11Å
238D29.9Very low30.1Very low128 Ų128142.3 Ų142.368%0.68476%0.76SS**  cis-159.2173.7-10.8-152.133.3000107.6
239T34.1Very low30.5Very low118 Ų118142.7 Ų142.772%0.72476%0.763SS**  cis-145.5176.77.9-39.70000110.3
240E32.1Very low30.9Very low156 Ų156142 Ų14273%0.72976%0.763SS**  trans-97.1171.7178.3-50.4173.3135.600113.9
241T26.8Very low31.3Very low149 Ų149144.8 Ų144.891%0.91477%0.769SS**  trans-135143.2146.843.90000110.6
242L24.9Very low31.7Very low140 Ų140146.5 Ų146.573%0.73377%0.769SS**  trans-123.4122.3-162.5-16192.5000113.7
243S35.2Very low32.3Very low100 Ų100143.6 Ų143.670%0.69977%0.769SS**  trans67.7175.7150.776.50000120.9
244V28.8Very low32.8Very low135 Ų135142.9 Ų142.982%0.81878%0.778SS**  trans77.687.7173.5-166.30000117.2
245S28.1Very low33.5Very low112 Ų112143.4 Ų143.478%0.78377%0.768SS**  -163.5126.9115.752.50000114.9
246R29.8Very low34.4Very low238 Ų238142 Ų14290%0.89877%0.774SS**  trans41.178134.5-167.5179.4171.4167.6-3.6119.4
247I32.5Very low35.1Very low164 Ų164144.4 Ų144.484%0.84178%0.781SS**  -172.8144.7125.5-100.6152.1000110.1
248P37.6Very low35.5Very low118 Ų118146.3 Ų146.377%0.76678%0.782SS**  trans-99.8165.3-161.838.3-37.7000116.3
249N36.9Very low36.2Very low172 Ų172144.6 Ų144.692%0.9279%0.785SS**  trans-61.7127.5169.5-82.7-52.1000113.5
250A34.4Very low36.6Very low88 Ų88143.3 Ų143.373%0.72779%0.787SS**  trans-142.9126.4156.100000106.8
251R39Very low37.2Very low246 Ų246142.5 Ų142.593%0.92879%0.786SS**  cis53.572.334.6-83.5-164.6176.4-162.61.2113.6
252K40.5Very low37.9Very low193 Ų193140.9 Ų140.984%0.83978%0.778SS**  trans-176.7124.3148-99.9162.9-176.1-177.50108.7
253L40.3Very low38.6Very low161 Ų161142.1 Ų142.184%0.84379%0.785SS**  cis-139.1159.3-22.7-76.4173.7000105.9
254G41.3Very low38.8Very low68 Ų68145.4 Ų145.470%0.70179%0.788SS**  cis106.415.617.600000113.7
255E40.8Very low39.6Very low122 Ų122143.6 Ų143.657%0.5778%0.78SS**  trans-123.3134.8149.1-68.4-160.9172.900108.8R258E255-R258 IonicContact OE1-CZ 2.65Å; E255-R258 IonicContact OE1-NE 3.92Å; E255-R258 IonicContact OE1-NH2 3.47Å; E255-R258 PolarHBondContact OE1-NH2 2.99Å; E255-R258 IonicContact OE2-CZ 3.12Å; E255-R258 IonicContact OE2-NE 2.68Å; E255-R258 PolarHBondContact OE2-NE 2.92Å; E255-R258 IonicContact OE2-NH2 2.75Å; E255-R258 PolarHBondContact OE2-NH2 3.48Å
256P46.9Very low40.1Very low117 Ų117144.1 Ų144.176%0.7678%0.781SS**  trans-63.3154.9158.631.3-33.8000108.6R258P256-R258 PolarHBondContact O-N 2.91Å
257I45.2Very low40.3Very low172 Ų172143.4 Ų143.488%0.88278%0.779SS**  trans-53.8110.1177.1-61170.9000108.3A259I257-A259 PolarHBondContact O-N 3.23Å; I257-A259 VanDerWaalsContact O-N 3.13Å
258R40.7Very low40.4Very low176 Ų176144.5 Ų144.566%0.66478%0.781SS**PPolyproline II helixtrans-56.7123.1174.5-66.4-170.5-173.7-152.40.8107.3E255 P256 A260E255-R258 IonicContact OE1-CZ 2.65Å; E255-R258 IonicContact OE1-NE 3.92Å; E255-R258 IonicContact OE1-NH2 3.47Å; E255-R258 PolarHBondContact OE1-NH2 2.99Å; E255-R258 IonicContact OE2-CZ 3.12Å; E255-R258 IonicContact OE2-NE 2.68Å; E255-R258 PolarHBondContact OE2-NE 2.92Å; E255-R258 IonicContact OE2-NH2 2.75Å; E255-R258 PolarHBondContact OE2-NH2 3.48Å; P256-R258 PolarHBondContact O-N 2.91Å; R258-A260 PolarHBondContact O-N 3.26Å
259A43.5Very low40.2Very low91 Ų91144.8 Ų144.875%0.75278%0.782SS**PPolyproline II helixtrans-49.9129.5172.100000108.3I257 I261I257-A259 PolarHBondContact O-N 3.23Å; I257-A259 VanDerWaalsContact O-N 3.13Å; A259-I261 PolarHBondContact O-N 3.04Å; A259-I261 VanDerWaalsContact O-N 3.08Å
260A43.8Very low40Very low92 Ų92142.1 Ų142.176%0.7678%0.777SS**PPolyproline II helixtrans-53.9121-171.700000109.5R258 P262R258-A260 PolarHBondContact O-N 3.26Å; A260-P262 WeakPolarHBondContact O-CD 3.39Å
261I43.7Very low39.8Very low139 Ų139147 Ų14771%0.71379%0.785SS**  trans-53.9115.4-174.8-61.4174.5000107.9A259 L263A259-I261 PolarHBondContact O-N 3.04Å; A259-I261 VanDerWaalsContact O-N 3.08Å; I261-L263 PolarHBondContact O-N 3.04Å
262P41.6Very low39.8Very low114 Ų114141 Ų14174%0.7478%0.777SS**  trans-63.2113.2177.8-21.834.3000108.3A260 H264A260-P262 WeakPolarHBondContact O-CD 3.39Å; P262-H264 VanDerWaalsContact C-N 3.34Å; P262-H264 PolarHBondContact O-N 2.85Å
263L40.5Very low39.3Very low166 Ų166143.4 Ų143.487%0.86978%0.781SS**  trans-69.196.9176.1-71.5179.3000108.3I261I261-L263 PolarHBondContact O-N 3.04Å
264H37.9Very low38.8Very low169 Ų169140 Ų14078%0.78278%0.777SS**  trans-59.9132.1-178.7-143.7-76.7000109.9P262P262-H264 VanDerWaalsContact C-N 3.34Å; P262-H264 PolarHBondContact O-N 2.85Å
265P46.8Very low38.5Very low98 Ų98142.7 Ų142.764%0.63678%0.782SS**  trans-61.5147.3167.227.6-33.9000109.4Y267P265-Y267 PolarHBondContact O-N 3.04Å; P265-Y267 VanDerWaalsContact O-N 3.11Å
266P39Very low38.3Very low123 Ų123143 Ų14380%0.79980%0.796SS**SBendtrans-68.9111.1-173.327.1-34.2000111.7
267Y33.2Very low38Very low222 Ų222142.9 Ų142.987%0.87180%0.795SS**  trans34.399.8159.9-71.1-88.3000118.5P265P265-Y267 PolarHBondContact O-N 3.04Å; P265-Y267 VanDerWaalsContact O-N 3.11Å
268H35.2Very low37.3Very low188 Ų188142.6 Ų142.687%0.8779%0.794SS**  trans-91.6143.2133.9-89.6-63.8000109
269P32.2Very low37.1Very low123 Ų123137.9 Ų137.980%0.79980%0.8SS**  trans-73.2158.3171.532.6-34.9000111.2
270S33.7Very low36.5Very low116 Ų116141.9 Ų141.981%0.81180%0.8SS**  trans-123.2130.8-172.958.80000113.2
271E29.5Very low35.8Very low191 Ų191143.4 Ų143.489%0.89379%0.792SS**  trans-120.1161.3161.1-86.6-166.7158.600111
272P38.4Very low35.2Very low119 Ų119146 Ų14677%0.77379%0.793SS**  trans-98.3124.4-149.934.9-34.4000117
273R31Very low34.6Very low244 Ų244147.1 Ų147.192%0.92179%0.793SS**  55.2107.5121.8-167.1-171.8-159.9169.36.2119.4
274A29.7Very low33.9Very low90 Ų90147.4 Ų147.474%0.74479%0.789SS**  trans-134.8152145.800000110
275P34.9Very low33.4Very low125 Ų125144.1 Ų144.181%0.81279%0.785SS**PPolyproline II helixtrans-90146.2-167.234.5-35000114.5
276C36.4Very low32.4Very low127 Ų127145.3 Ų145.386%0.85880%0.796SS**PPolyproline II helixtrans-92.2141.4168.6-55.80000111.1
277P41.5Very low31.8Very low116 Ų116147.6 Ų147.675%0.75380%0.795SS**PPolyproline II helixtrans-101.2120153.333.2-26000111.5
278I29.4Very low31.9Very low166 Ų166142.9 Ų142.985%0.85179%0.794SS**  trans42121.6135.1-137.273.3000119.9
279G36.5Very low31.8Very low76 Ų76139.5 Ų139.578%0.78479%0.788SS**  trans-104.1130.3178.900000114.7
280K31.6Very low32.2Very low176 Ų176139.8 Ų139.877%0.76579%0.79SS**  trans-166.6143.8179.2-88.5-152.4167.3-142.40109.6
281E29.7Very low32Very low124 Ų124138.1 Ų138.158%0.57978%0.783SS**  cis-147.3175-19.2-55.2-161.1155.100109.3
282Y29.4Very low32.1Very low192 Ų192135 Ų13575%0.75378%0.777SS**  trans47128153-75.5-64.9000123.9
283L30.9Very low31.6Very low139 Ų139136.1 Ų136.173%0.72878%0.777SS**  trans77.5134.6138.2-62.9169.5000123.1
284H25.9Very low31.5Very low172 Ų172129 Ų12980%0.79677%0.765SS**  trans57.9142.3141.3-76.6-58.3000124
285S26.8Very low31.4Very low99 Ų99130 Ų13069%0.69276%0.761SS**  trans70.7108.1144.5-159.40000118.8
286S24.5Very low30.9Very low123 Ų123131.5 Ų131.586%0.8676%0.757SS**  trans-107.272.5163.560.80000111
287H26.7Very low30.5Very low171 Ų171131.8 Ų131.879%0.79275%0.746SS**PPolyproline II helixtrans-73.4144.1156.5-92.8-76.1000109.5
288C35.3Very low29.7Very low124 Ų124135.2 Ų135.284%0.83875%0.752SS**PPolyproline II helixtrans-72.6144.6-179.2-47.10000112.7
289P34.4Very low29.5Very low116 Ų116134.2 Ų134.275%0.75375%0.745SS**PPolyproline II helixtrans-98.5166.7146.233.7-25.4000111.5
290P39.3Very low28.8Very low129 Ų129138.6 Ų138.684%0.83875%0.746SS**  trans-121-161.5-147.341.8-29.1000115.5
291A29.6Very low28.5Very low81 Ų81140.3 Ų140.367%0.66975%0.753SS**  trans-55.1173167.800000112.4
292V31.3Very low28.4Very low125 Ų125140.3 Ų140.376%0.75877%0.767SS**  cis-158.4168.743.8-124.40000109.3
293N29.4Very low28.2Very low143 Ų143134.5 Ų134.577%0.76577%0.766SS**  -166174.955.8-113.7-33.5000113.8
294S29.1Very low28.1Very low96 Ų96135.2 Ų135.267%0.67177%0.77SS**  trans-22.9163.5168.163.40000119.4
295T26.2Very low28.4Very low109 Ų109133.9 Ų133.967%0.66977%0.768SS**  -170.6112.857.5-43.20000108.1
296Q24.6Very low28.5Very low157 Ų157136.6 Ų136.673%0.73478%0.775SS**  90.6144.397.7-156.4-172.2-66.900114.6
297E28.1Very low28.8Very low134 Ų134136.6 Ų136.663%0.62677%0.765SS**  trans100.2104.6160.1-55.6-153.7167.400121.3
298H24.4Very low28.8Very low188 Ų188138.5 Ų138.587%0.8777%0.765SS**  trans64.1150.2147.6-47.3-51.1000119.1
299M25.7Very low28.5Very low144 Ų144137.7 Ų137.771%0.70976%0.757SS**  cis-149.8133.17.4-161.9160.7173.200112.6
300E22.8Very low28.3Very low169 Ų169141.1 Ų141.179%0.7976%0.76SS**  trans55.9168.6152.7-67176.2171.400121.8
301F24.7Very low27.8Very low212 Ų212142.6 Ų142.693%0.9376%0.76SS**  trans-134.9176.6-161.8-116.6-94.6000111
302S26.5Very low27.7Very low123 Ų123144.2 Ų144.286%0.8676%0.761SS**  trans84.9145.9173-150.40000115.1
303G25.5Very low27.6Very low71 Ų71143.1 Ų143.173%0.73276%0.759SS**  cis-159.8-171.86.200000114.2
304D28.2Very low27.5Very low154 Ų154146 Ų14682%0.82477%0.765SS**  trans-100.2178.8-169.6-163.48000113
305L32.9Very low27.5Very low143 Ų143147.8 Ų147.875%0.74977%0.767SS**  trans83.1101.9165.2-64.6143.7000120.1
306D30Very low28.3Very low156 Ų156148.7 Ų148.783%0.83477%0.774SS**  59.8142.2110.8-122.6-12.6000125.6
307D29.5Very low28.7Very low123 Ų123148.8 Ų148.866%0.65877%0.772SS**  trans69134.6153.4-149.724.9000125.5
308R27.3Very low28.8Very low211 Ų211148.4 Ų148.480%0.79677%0.774SS**  trans87.8140.3136.7-113.9179.1-171.8-162.4-1.5126.8
309V28.9Very low29Very low108 Ų108145.2 Ų145.266%0.65577%0.773SS**  trans91.698.8150.8-179.60000121.5
310F30.2Very low29.6Very low188 Ų188148 Ų14883%0.82578%0.781SS**  trans26.9142133.3-59.1-81.4000123.9
311L29.8Very low29.9Very low160 Ų160149.2 Ų149.284%0.83879%0.787SS**  -166.1157.6104.2-101.1170000116.1
312T27.4Very low30.1Very low114 Ų114148 Ų14870%0.69978%0.784SS**  trans-45.8163.4-17853.60000118.4
313S28.4Very low30Very low102 Ų102148.8 Ų148.871%0.71378%0.784SS**  -169.8135.651.6610000112.4
314K28.2Very low30Very low203 Ų203155.8 Ų155.888%0.88379%0.79SS**  102130.890.1-78.3-74.7-175.7178.30114.7
315L29Very low31.4Very low135 Ų135154.1 Ų154.171%0.70779%0.787SS**  trans-87.6170.5173-15378.5000110.1K317L315-K317 HydrophobicContact CD2-CB 4.23Å; L315-K317 HydrophobicContact CD2-CD 4.08Å; L315-K317 HydrophobicContact CD2-CG 3.91Å
316P42.8Very low31Very low127 Ų127152.2 Ų152.283%0.82579%0.792SS**  -144.4158.192.339.3-24.2000117.1
317K32.3Very low30.9Very low159 Ų159153 Ų15369%0.69179%0.791SS**  trans-88-179.4162.7-92.4172.7154.8-148.80109.6L315L315-K317 HydrophobicContact CD2-CB 4.23Å; L315-K317 HydrophobicContact CD2-CD 4.08Å; L315-K317 HydrophobicContact CD2-CG 3.91Å
318D31.4Very low30.9Very low126 Ų126154 Ų15467%0.67480%0.801SS**  cis-159.2162.4-4.3-110.4-27.7000105
319S28.6Very low31.1Very low121 Ų121152.2 Ų152.285%0.84680%0.802SS**  trans-158.9150.2153.552.30000111.8
320K37.6Very low31.1Very low202 Ų202150.3 Ų150.388%0.87880%0.804SS**  trans-126.7148.2-178.6-57.7173.3-180176.70109.9
321E28.1Very low31.5Very low196 Ų196148.1 Ų148.192%0.91681%0.809SS**  trans-156.4156.2147.5-125.4166-164.400110.7
322E29.1Very low31.6Very low186 Ų186151.5 Ų151.587%0.86981%0.81SS**  trans-106.3157.3-179.1-59.9179.8116.600110.6
323V24.7Very low31.9Very low140 Ų140151.9 Ų151.985%0.84881%0.812SS**  trans176143.5143.3143.20000110.8
324Y25.6Very low32Very low218 Ų218158.4 Ų158.486%0.85582%0.821SS**  trans-112.3179.7173.6-80-86.5000110.1
325P57.8Low32.6Very low118 Ų118158.1 Ų158.177%0.76682%0.82SS**  -127.8168.4-72.137.7-20.9000112.7
326A24.8Very low33.2Very low104 Ų104157.4 Ų157.486%0.8682%0.824SS**  trans-144.5154.9171.100000114.7
327Q28.3Very low33.4Very low173 Ų173157.4 Ų157.481%0.80882%0.823SS**  trans-83.5164-171.2-53165.19.300113
328V28.5Very low33.7Very low144 Ų144159.9 Ų159.987%0.87383%0.834SS**  -160.2156.9119134.20000111.6
329Q32Very low33.7Very low173 Ų173157.4 Ų157.481%0.80884%0.838SS**  trans-81.1160.5-164.2-56.8158.51700114
330G29.7Very low34.3Very low68 Ų68161.7 Ų161.770%0.70184%0.842SS**  trans-113.9163161.200000112.1
331P38.6Very low34.1Very low142 Ų142163 Ų16392%0.92284%0.842SS**  trans-92.8161.5179.135.5-33.4000113.8
332R31.7Very low34.2Very low231 Ų231158.8 Ų158.887%0.87283%0.825SS**  trans-141.7164.6-172.9-161-178-169.3-173.76.1110.5
333T32.1Very low34.4Very low121 Ų121157 Ų15774%0.74282%0.817SS**  trans76.5158.9174.281.50000114.6
334R31.6Very low34.8Very low240 Ų240157.4 Ų157.491%0.90681%0.814SS**  cis-132.9166.616.1-68.2179.1160153.3-7.8113.8
335K41.3Very low35.1Very low196 Ų196158.4 Ų158.485%0.85282%0.816SS**  trans-107.7159.2159.7-65.7-176.2178.6-178.20110
336P40.5Very low33.8Very low121 Ų121156.4 Ų156.479%0.78681%0.809SS**  trans-129-162.4142.345.1-33.6000110.4
337P46.7Very low34.1Very low126 Ų126158 Ų15882%0.81881%0.809SS**  -128.2-173.7-113.528.7-3.2000116.1
338K39.2Very low34.1Very low211 Ų211154.8 Ų154.892%0.91781%0.812SS**  trans-81148.8178.3-71.4176.3174.4174.70113.2
339G31.4Very low34.2Very low74 Ų74153.6 Ų153.676%0.76381%0.81SS**  trans-129.8167.9158.700000111.3
340K40.8Very low33.9Very low212 Ų212150.8 Ų150.892%0.92281%0.809SS**  trans-131.2152.5179-74.1-174.8177.2-178.80111.5
341R33.6Very low33.8Very low230 Ų230152.4 Ų152.487%0.86881%0.809SS**  trans127.6123.1133.7-156.1173.1-170.3-179.31.8116.5
342N29.3Very low33.4Very low107 Ų107151.9 Ų151.957%0.57280%0.798SS**  trans50.2117.9155-65.245.6000123.9
343E35Very low33.2Very low149 Ų149145.9 Ų145.970%0.69679%0.792SS**  53.7117.7120.2-58.9162160.400121.4
344N31.8Very low33.4Very low148 Ų148145.8 Ų145.879%0.79179%0.793SS**  -177.6143.497.5-98-69.1000114.8
345R32.6Very low33.2Very low239 Ų239143.9 Ų143.990%0.90279%0.792SS**  trans34.8133.1138.9-150.5176.2-166.6167.43120.8
346A29.8Very low32.9Very low75 Ų75140.1 Ų140.162%0.6279%0.788SS**  cis-168.8163.3-14.900000112.3
347T32Very low32.6Very low138 Ų138143.1 Ų143.185%0.84779%0.791SS**  trans46.9105.8152.148.20000121.8
348A28.3Very low31.8Very low106 Ų106147.9 Ų147.988%0.87679%0.793SS**  trans-157.5118.9132.300000113.2
349S30.4Very low31.6Very low118 Ų118143.6 Ų143.683%0.82579%0.787SS**  trans-43.3141.3175.3-178.20000118.3
350S25.8Very low31.8Very low114 Ų114151.2 Ų151.280%0.79779%0.792SS**  -174.2138.4115.6-1700000112.5
351C26.6Very low32.2Very low103 Ų103149.5 Ų149.570%0.69679%0.785SS**  trans-92.2149.5-173.1-640000113.9
352N30.1Very low32.9Very low130 Ų130149.9 Ų149.970%0.69579%0.786SS**  trans-136.8123.3137.3-70.5-90.1000107.6K657N352-K657 PolarHBondContact ND2-NZ 2.73Å; N352-K657 PolarHBondContact OD1-NZ 3.37Å
353S28.8Very low34.4Very low105 Ų105148 Ų14873%0.73478%0.776SS**  trans-112.7152-172.352.80000112.1
354P36.6Very low36.3Very low120 Ų120144.6 Ų144.678%0.77977%0.765SS**  trans-88164140.834-28.8000110.4
355F27.1Very low38.3Very low200 Ų200145.8 Ų145.888%0.87777%0.766SS**  trans-57.1146.5-170-81.1-101.7000114.7Q357F355-Q357 PolarHBondContact O-N 3.31Å
356P34.5Very low40.4Very low117 Ų117141.1 Ų141.176%0.7676%0.755SS**  trans-72.599.9174.731-34.2000110.7R358P356-R358 PolarHBondContact O-N 2.95Å; P356-R358 VanDerWaalsContact O-N 3.09Å
357Q34.6Very low43Very low184 Ų184141.6 Ų141.686%0.8674%0.744SS**  trans-56.5113.8144.4-77.3-172-9.500106.5F355 P359F355-Q357 PolarHBondContact O-N 3.31Å; Q357-P359 VanDerWaalsContact O-CD 3.31Å; Q357-P359 WeakPolarHBondContact O-CD 3.42Å; Q357-P359 VanDerWaalsContact O-N 3.11Å
358R28.9Very low45.4Very low225 Ų225139.8 Ų139.885%0.84973%0.729SS**  trans-54.2121.1168.3-74-178.6176.7174.1-1.1106.5P356 R360P356-R358 PolarHBondContact O-N 2.95Å; P356-R358 VanDerWaalsContact O-N 3.09Å; R358-R360 PolarHBondContact O-N 3.18Å
359P35.4Very low48Very low122 Ų122140 Ų14079%0.79271%0.712SS**  trans-61.1108.9165.126.2-31.1000105.5Q357 K361Q357-P359 VanDerWaalsContact O-CD 3.31Å; Q357-P359 WeakPolarHBondContact O-CD 3.42Å; Q357-P359 VanDerWaalsContact O-N 3.11Å; P359-K361 PolarHBondContact O-N 2.8Å
360R35.4Very low50.8Low233 Ų233137.7 Ų137.788%0.87969%0.69SS**  trans-60.3100.3162.9-78.2-175.2174.6-175-2.5104.6R358 R362R358-R360 PolarHBondContact O-N 3.18Å; R360-R362 VanDerWaalsContact C-N 3.34Å; R360-R362 PolarHBondContact O-N 3.4Å
361K48.7Very low53.9Low177 Ų177135.5 Ų135.577%0.7767%0.671SS**  trans-45.9113.7149.8-74.4-171.8174.8-171.50103.9P359 L363P359-K361 PolarHBondContact O-N 2.8Å; K361-L363 PolarHBondContact O-N 3.17Å
362R49.6Very low56.9Low238 Ų238134 Ų13490%0.89866%0.662SS**  trans-68.890.5167.5-73.8-172.4179.3-164.60.7103.9R360 T364R360-R362 VanDerWaalsContact C-N 3.34Å; R360-R362 PolarHBondContact O-N 3.4Å; R362-T364 PolarHBondContact O-N 2.83Å
363L60.6Low59.8Low66 Ų66132 Ų13235%0.34665%0.648SS.*  trans-49.7126.2165.8-65.3-178.6000105.5K361 E367 L368K361-L363 PolarHBondContact O-N 3.17Å; L363-E367 WeakPolarHBondContact CA-OE2 3.26Å; L363-E367 HydrophobicContact CB-CB 3.8Å; L363-E367 HydrophobicContact CD2-CB 4.07Å; L363-E367 HydrophobicContact CG-CB 4.39Å; L363-L368 HydrophobicContact CB-CD2 3.92Å; L363-L368 HydrophobicContact CB-CG 3.88Å; L363-L368 HydrophobicContact CD1-CD2 3.95Å
364T74.3Confident63Low78 Ų78132.5 Ų132.548%0.47964%0.638SS.*  trans-55.2157.9171.753.70000109.3R362 Q366 E367 L368R362-T364 PolarHBondContact O-N 2.83Å; T364-Q366 PolarHBondContact O-N 2.97Å; T364-Q366 VanDerWaalsContact O-N 3.14Å; T364-E367 WeakPolarHBondContact CB-OE2 3.34Å; T364-E367 PolarHBondContact N-OE2 2.91Å; T364-E367 PolarHBondContact O-N 2.8Å; T364-E367 WeakPolarHBondContact OG1-CG 3.41Å; T364-E367 PolarHBondContact OG1-N 3.02Å; T364-E367 PolarHBondContact OG1-OE2 3.48Å; T364-L368 PolarHBondContact O-N 3.36Å
365E74.5Confident65.6Low173 Ų173131.7 Ų131.781%0.80863%0.626SS**Hα-helixtrans-57.2-32.3179.6-161.2158.8-166.200111.1L368 H369E365-L368 PolarHBondContact O-N 2.97Å; E365-H369 PolarHBondContact O-N 3.4Å
366Q76.8Confident68.6Low142 Ų142125.4 Ų125.466%0.66461%0.607SS**Hα-helixtrans-60.2-54.1168.3-15274.139.600113.1T364 L368 H369 D370T364-Q366 PolarHBondContact O-N 2.97Å; T364-Q366 VanDerWaalsContact O-N 3.14Å; Q366-L368 PolarHBondContact O-N 3.44Å; Q366-H369 WeakPolarHBondContact O-CA 3.29Å; Q366-H369 WeakPolarHBondContact O-CB 3.43Å; Q366-H369 PolarHBondContact O-N 3Å; Q366-D370 PolarHBondContact O-N 3.15Å
367E83Confident71.3Confident85 Ų85125.4 Ų125.440%0.39760%0.597SS.*Hα-helixtrans-62.3-28.7178.1-75.2166.8109.700112.8L363 T364 V371L363-E367 WeakPolarHBondContact CA-OE2 3.26Å; L363-E367 HydrophobicContact CB-CB 3.8Å; L363-E367 HydrophobicContact CD2-CB 4.07Å; L363-E367 HydrophobicContact CG-CB 4.39Å; T364-E367 WeakPolarHBondContact CB-OE2 3.34Å; T364-E367 PolarHBondContact N-OE2 2.91Å; T364-E367 PolarHBondContact O-N 2.8Å; T364-E367 WeakPolarHBondContact OG1-CG 3.41Å; T364-E367 PolarHBondContact OG1-N 3.02Å; T364-E367 PolarHBondContact OG1-OE2 3.48Å; E367-V371 WeakPolarHBondContact O-CB 3.42Å; E367-V371 VanDerWaalsContact O-CG2 3.25Å; E367-V371 WeakPolarHBondContact O-CG2 3.43Å; E367-V371 PolarHBondContact O-N 2.66Å; E367-V371 VanDerWaalsContact O-N 3.12Å
368L82.4Confident74.1Confident99 Ų99122.5 Ų122.552%0.51858%0.578SS.*Hα-helixtrans-71.7-38.3171.5-71173.3000111.9L363 T364 E365 Q366 V371 S372L363-L368 HydrophobicContact CB-CD2 3.92Å; L363-L368 HydrophobicContact CB-CG 3.88Å; L363-L368 HydrophobicContact CD1-CD2 3.95Å; T364-L368 PolarHBondContact O-N 3.36Å; E365-L368 PolarHBondContact O-N 2.97Å; Q366-L368 PolarHBondContact O-N 3.44Å; L368-V371 PolarHBondContact O-N 2.68Å; L368-S372 VanDerWaalsContact O-CB 3.29Å; L368-S372 WeakPolarHBondContact O-CB 3.29Å; L368-S372 PolarHBondContact O-N 2.79Å
369H83.1Confident77.1Confident112 Ų112117.3 Ų117.352%0.51957%0.566SS.*Hα-helixtrans-63.2-50.1173.5-136.2-85.2000110.9E365 Q366 V371 S372 E373E365-H369 PolarHBondContact O-N 3.4Å; Q366-H369 WeakPolarHBondContact O-CA 3.29Å; Q366-H369 WeakPolarHBondContact O-CB 3.43Å; Q366-H369 PolarHBondContact O-N 3Å; H369-V371 VanDerWaalsContact C-N 3.3Å; H369-V371 PolarHBondContact O-N 3.43Å; H369-S372 CarbonylContact O-C 3.58Å; H369-S372 WeakPolarHBondContact O-CA 3.38Å; H369-S372 WeakPolarHBondContact O-CB 3.47Å; H369-S372 PolarHBondContact O-N 2.6Å; H369-E373 IonicContact CE1-OE1 3.94Å; H369-E373 PolarHBondContact CE1-OE1 3.48Å; H369-E373 IonicContact CG-OE1 2.69Å; H369-E373 IonicContact ND1-OE1 2.66Å; H369-E373 PolarHBondContact ND1-OE1 3.07Å; H369-E373 PolarHBondContact O-N 2.8Å
370D90.9Very high79.5Confident69 Ų69114.9 Ų114.937%0.36955%0.552SS.*Hα-helixtrans-50.8-45.4173.6-100.256.9000113.2Q366 K374Q366-D370 PolarHBondContact O-N 3.15Å; D370-K374 WeakPolarHBondContact O-CB 3.41Å; D370-K374 VanDerWaalsContact O-CD 3.24Å; D370-K374 WeakPolarHBondContact O-CD 3.34Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.31Å; D370-K374 PolarHBondContact O-N 2.88Å; D370-K374 VanDerWaalsContact O-N 3.07Å; D370-K374 IonicContact OD2-NZ 3.52Å; D370-K374 PolarHBondContact OD2-NZ 3.45Å
371V89.6Confident82.2Confident67 Ų67107.8 Ų107.841%0.40653%0.529SS..Hα-helixtrans-73-36178.7168.40000111.2E367 L368 H369 L375E367-V371 WeakPolarHBondContact O-CB 3.42Å; E367-V371 VanDerWaalsContact O-CG2 3.25Å; E367-V371 WeakPolarHBondContact O-CG2 3.43Å; E367-V371 PolarHBondContact O-N 2.66Å; E367-V371 VanDerWaalsContact O-N 3.12Å; L368-V371 PolarHBondContact O-N 2.68Å; H369-V371 VanDerWaalsContact C-N 3.3Å; H369-V371 PolarHBondContact O-N 3.43Å; V371-L375 HydrophobicContact CG1-CD1 4.04Å; V371-L375 WeakPolarHBondContact O-CB 3.34Å; V371-L375 VanDerWaalsContact O-CG 3.27Å; V371-L375 WeakPolarHBondContact O-CG 3.38Å; V371-L375 PolarHBondContact O-N 2.91Å
372S90.1Very high84.2Confident72 Ų72103.1 Ų103.150%0.50351%0.512SS..Hα-helixtrans-64.6-42.7174.6-168.60000111.9L368 H369 L375 S376L368-S372 VanDerWaalsContact O-CB 3.29Å; L368-S372 WeakPolarHBondContact O-CB 3.29Å; L368-S372 PolarHBondContact O-N 2.79Å; H369-S372 CarbonylContact O-C 3.58Å; H369-S372 WeakPolarHBondContact O-CA 3.38Å; H369-S372 WeakPolarHBondContact O-CB 3.47Å; H369-S372 PolarHBondContact O-N 2.6Å; S372-L375 PolarHBondContact O-N 2.73Å; S372-S376 PolarHBondContact O-N 2.97Å; S372-S376 PolarHBondContact O-OG 3.44Å
373E91.7Very high86.1Confident87 Ų8795.3 Ų95.341%0.40749%0.488SS..Hα-helixtrans-66.8-42.3176.3-74.1176.1-145.300112.1H369 L375 S376 Q377H369-E373 IonicContact CE1-OE1 3.94Å; H369-E373 PolarHBondContact CE1-OE1 3.48Å; H369-E373 IonicContact CG-OE1 2.69Å; H369-E373 IonicContact ND1-OE1 2.66Å; H369-E373 PolarHBondContact ND1-OE1 3.07Å; H369-E373 PolarHBondContact O-N 2.8Å; E373-L375 VanDerWaalsContact C-N 3.28Å; E373-L375 PolarHBondContact O-N 2.79Å; E373-S376 WeakPolarHBondContact CA-OG 3.43Å; E373-S376 PolarHBondContact O-N 3.06Å; E373-S376 PolarHBondContact O-OG 3.21Å; E373-Q377 WeakPolarHBondContact O-CB 3.47Å; E373-Q377 WeakPolarHBondContact O-CG 3.48Å; E373-Q377 PolarHBondContact O-N 2.92Å
374K94.3Very high87.4Confident117 Ų117100.7 Ų100.751%0.50950%0.504SS..Hα-helixtrans-64.7-33.3174.4-71.6159.6-168.8147.10111.8D370 R378D370-K374 WeakPolarHBondContact O-CB 3.41Å; D370-K374 VanDerWaalsContact O-CD 3.24Å; D370-K374 WeakPolarHBondContact O-CD 3.34Å; D370-K374 VanDerWaalsContact O-CG 3.23Å; D370-K374 WeakPolarHBondContact O-CG 3.31Å; D370-K374 PolarHBondContact O-N 2.88Å; D370-K374 VanDerWaalsContact O-N 3.07Å; D370-K374 IonicContact OD2-NZ 3.52Å; D370-K374 PolarHBondContact OD2-NZ 3.45Å; K374-R378 WeakPolarHBondContact O-CB 3.43Å; K374-R378 PolarHBondContact O-N 3.43Å
375L91.4Very high87.9Confident103 Ų103101.5 Ų101.554%0.53950%0.504SS..Hα-helixtrans-71.6-42.2172.3-76.8168.7000112.6V371 S372 E373 R378 L379V371-L375 HydrophobicContact CG1-CD1 4.04Å; V371-L375 WeakPolarHBondContact O-CB 3.34Å; V371-L375 VanDerWaalsContact O-CG 3.27Å; V371-L375 WeakPolarHBondContact O-CG 3.38Å; V371-L375 PolarHBondContact O-N 2.91Å; S372-L375 PolarHBondContact O-N 2.73Å; E373-L375 VanDerWaalsContact C-N 3.28Å; E373-L375 PolarHBondContact O-N 2.79Å; L375-R378 PolarHBondContact O-N 2.85Å; L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 VanDerWaalsContact O-CG 3.27Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 3.3Å
376S90.8Very high88Confident68 Ų6898.2 Ų98.248%0.47649%0.491SS..Hα-helixtrans-68.4-38.717867.70000111.9S372 E373 L379 S380S372-S376 PolarHBondContact O-N 2.97Å; S372-S376 PolarHBondContact O-OG 3.44Å; E373-S376 WeakPolarHBondContact CA-OG 3.43Å; E373-S376 PolarHBondContact O-N 3.06Å; E373-S376 PolarHBondContact O-OG 3.21Å; S376-L379 PolarHBondContact O-N 3.37Å; S376-S380 WeakPolarHBondContact O-CB 3.26Å; S376-S380 PolarHBondContact O-N 2.92Å; S376-S380 PolarHBondContact O-OG 2.97Å
377Q91.8Very high88.2Confident116 Ų11697.5 Ų97.554%0.54249%0.486SS..Hα-helixtrans-56.7-53.3168.9-73.3167.810.600110.5E373 L379 S380 E381E373-Q377 WeakPolarHBondContact O-CB 3.47Å; E373-Q377 WeakPolarHBondContact O-CG 3.48Å; E373-Q377 PolarHBondContact O-N 2.92Å; Q377-L379 VanDerWaalsContact C-N 3.3Å; Q377-L379 PolarHBondContact O-N 2.99Å; Q377-S380 PolarHBondContact O-N 2.82Å; Q377-S380 VanDerWaalsContact O-N 3.1Å; Q377-S380 PolarHBondContact O-OG 2.98Å; Q377-E381 WeakPolarHBondContact O-CB 3.29Å; Q377-E381 PolarHBondContact O-N 2.91Å
378R93.3Very high87.9Confident124 Ų12495.3 Ų95.347%0.46848%0.48SS..Hα-helixtrans-64.7-31.4-179.8-170.656.9177.5-170.413.2113.6K374 L375 E381 L382K374-R378 WeakPolarHBondContact O-CB 3.43Å; K374-R378 PolarHBondContact O-N 3.43Å; L375-R378 PolarHBondContact O-N 2.85Å; R378-E381 WeakPolarHBondContact CD-OE2 3.34Å; R378-E381 IonicContact CZ-OE1 3.65Å; R378-E381 IonicContact CZ-OE2 2.78Å; R378-E381 IonicContact NE-OE2 3.18Å; R378-E381 IonicContact NH1-OE1 2.73Å; R378-E381 PolarHBondContact NH1-OE1 3.1Å; R378-E381 IonicContact NH1-OE2 3.77Å; R378-E381 PolarHBondContact NH1-OE2 3.25Å; R378-E381 IonicContact NH2-OE1 3.6Å; R378-L382 HydrophobicContact CG-CD1 4.47Å; R378-L382 WeakPolarHBondContact O-CB 3.4Å; R378-L382 VanDerWaalsContact O-CG 3.27Å; R378-L382 WeakPolarHBondContact O-CG 3.45Å; R378-L382 PolarHBondContact O-N 3.12Å
379L91Very high87.5Confident116 Ų11693.9 Ų93.961%0.60748%0.482SS*.Hα-helixtrans-70.4-39.5172.3-74.4169000111.9L375 S376 Q377 L382 D383L375-L379 WeakPolarHBondContact O-CB 3.49Å; L375-L379 VanDerWaalsContact O-CG 3.27Å; L375-L379 WeakPolarHBondContact O-CG 3.34Å; L375-L379 PolarHBondContact O-N 3.3Å; S376-L379 PolarHBondContact O-N 3.37Å; Q377-L379 VanDerWaalsContact C-N 3.3Å; Q377-L379 PolarHBondContact O-N 2.99Å; L379-L382 PolarHBondContact O-N 3.39Å; L379-D383 WeakPolarHBondContact O-CB 3.2Å; L379-D383 PolarHBondContact O-N 3.27Å
380S85.6Confident86.8Confident71 Ų7193.5 Ų93.550%0.49748%0.484SS..Hα-helixtrans-68.1-33.8174.470.80000112.8S376 Q377 W384S376-S380 WeakPolarHBondContact O-CB 3.26Å; S376-S380 PolarHBondContact O-N 2.92Å; S376-S380 PolarHBondContact O-OG 2.97Å; Q377-S380 PolarHBondContact O-N 2.82Å; Q377-S380 VanDerWaalsContact O-N 3.1Å; Q377-S380 PolarHBondContact O-OG 2.98Å; S380-W384 VanDerWaalsContact O-CB 3.3Å; S380-W384 WeakPolarHBondContact O-CB 3.29Å; S380-W384 PolarHBondContact O-N 3.05Å
381E92.9Very high85Confident84 Ų8491.7 Ų91.739%0.39348%0.481SS..Hα-helixtrans-66-44.4172.4-170.8-167161.300111Q377 R378 W384 M385Q377-E381 WeakPolarHBondContact O-CB 3.29Å; Q377-E381 PolarHBondContact O-N 2.91Å; R378-E381 WeakPolarHBondContact CD-OE2 3.34Å; R378-E381 IonicContact CZ-OE1 3.65Å; R378-E381 IonicContact CZ-OE2 2.78Å; R378-E381 IonicContact NE-OE2 3.18Å; R378-E381 IonicContact NH1-OE1 2.73Å; R378-E381 PolarHBondContact NH1-OE1 3.1Å; R378-E381 IonicContact NH1-OE2 3.77Å; R378-E381 PolarHBondContact NH1-OE2 3.25Å; R378-E381 IonicContact NH2-OE1 3.6Å; E381-W384 PolarHBondContact O-N 3.37Å; E381-M385 VanDerWaalsContact O-CG 3.3Å; E381-M385 WeakPolarHBondContact O-CG 3.23Å; E381-M385 PolarHBondContact O-N 2.92Å
382L91.1Very high83.1Confident79 Ų7995.4 Ų95.441%0.41450%0.499SS..Hα-helixtrans-66.7-39.9175.7-74.8170.5000112.7R378 L379 M385 L386R378-L382 HydrophobicContact CG-CD1 4.47Å; R378-L382 WeakPolarHBondContact O-CB 3.4Å; R378-L382 VanDerWaalsContact O-CG 3.27Å; R378-L382 WeakPolarHBondContact O-CG 3.45Å; R378-L382 PolarHBondContact O-N 3.12Å; L379-L382 PolarHBondContact O-N 3.39Å; L382-M385 PolarHBondContact O-N 3.18Å; L382-L386 WeakPolarHBondContact O-CB 3.48Å; L382-L386 PolarHBondContact O-N 2.99Å
383D88.6Confident81.3Confident74 Ų74102.4 Ų102.440%0.39651%0.514SS..Hα-helixtrans-64.3-39.8173.3171.364.1000111.7L379 L386 K387L379-D383 WeakPolarHBondContact O-CB 3.2Å; L379-D383 PolarHBondContact O-N 3.27Å; D383-L386 PolarHBondContact O-N 2.95Å; D383-K387 WeakPolarHBondContact O-CB 3.36Å; D383-K387 WeakPolarHBondContact O-CG 3.4Å; D383-K387 PolarHBondContact O-N 3.24Å; D383-K387 WeakPolarHBondContact OD1-CE 3.43Å; D383-K387 IonicContact OD1-NZ 2.65Å; D383-K387 PolarHBondContact OD1-NZ 3.37Å; D383-K387 IonicContact OD2-NZ 3.58Å; D383-K387 PolarHBondContact OD2-NZ 3.45Å
384W87.9Confident79.3Confident178 Ų178105.2 Ų105.267%0.67453%0.53SS*.Hα-helixtrans-62.6-49.1171.8-17487.5000111.4S380 E381 L386 K387 S388S380-W384 VanDerWaalsContact O-CB 3.3Å; S380-W384 WeakPolarHBondContact O-CB 3.29Å; S380-W384 PolarHBondContact O-N 3.05Å; E381-W384 PolarHBondContact O-N 3.37Å; W384-L386 VanDerWaalsContact C-N 3.29Å; W384-L386 PolarHBondContact O-N 3.2Å; W384-K387 CarbonylContact O-C 3.56Å; W384-K387 PolarHBondContact O-N 3.22Å; W384-K387 VanDerWaalsContact O-N 3.09Å; W384-S388 PolarHBondContact O-N 3.11Å; W384-S388 PolarHBondContact O-OG 3.34Å
385M84.2Confident77.1Confident96 Ų96109.2 Ų109.247%0.47355%0.548SS..Hα-helixtrans-59.1-37.7175.4-72.2178.371.600112.7E381 L382 S388 A389E381-M385 VanDerWaalsContact O-CG 3.3Å; E381-M385 WeakPolarHBondContact O-CG 3.23Å; E381-M385 PolarHBondContact O-N 2.92Å; L382-M385 PolarHBondContact O-N 3.18Å; M385-S388 PolarHBondContact O-N 3.43Å; M385-A389 VanDerWaalsContact O-CB 3.31Å; M385-A389 WeakPolarHBondContact O-CB 3.43Å; M385-A389 PolarHBondContact O-N 3.11Å
386L77.4Confident74.9Confident104 Ų104112.7 Ų112.755%0.54556%0.561SS.*Hα-helixtrans-65.4-41.8174.6-116.5157000111.4L382 D383 W384 A389 L390L382-L386 WeakPolarHBondContact O-CB 3.48Å; L382-L386 PolarHBondContact O-N 2.99Å; D383-L386 PolarHBondContact O-N 2.95Å; W384-L386 VanDerWaalsContact C-N 3.29Å; W384-L386 PolarHBondContact O-N 3.2Å; L386-A389 PolarHBondContact O-N 3Å; L386-L390 HydrophobicContact CD2-CD1 3.72Å; L386-L390 HydrophobicContact CD2-CG 4.24Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.41Å; L386-L390 PolarHBondContact O-N 3.12Å
387K80.1Confident72.6Confident126 Ų126118.5 Ų118.555%0.54858%0.578SS.*Hα-helixtrans-68.9-33.1176.3-75.3164.7179.6163.40112.9D383 W384 G391D383-K387 WeakPolarHBondContact O-CB 3.36Å; D383-K387 WeakPolarHBondContact O-CG 3.4Å; D383-K387 PolarHBondContact O-N 3.24Å; D383-K387 WeakPolarHBondContact OD1-CE 3.43Å; D383-K387 IonicContact OD1-NZ 2.65Å; D383-K387 PolarHBondContact OD1-NZ 3.37Å; D383-K387 IonicContact OD2-NZ 3.58Å; D383-K387 PolarHBondContact OD2-NZ 3.45Å; W384-K387 CarbonylContact O-C 3.56Å; W384-K387 PolarHBondContact O-N 3.22Å; W384-K387 VanDerWaalsContact O-N 3.09Å; K387-G391 WeakPolarHBondContact O-CA 3.27Å; K387-G391 PolarHBondContact O-N 3.47Å
388S77.1Confident70Confident39 Ų39119.9 Ų119.927%0.27359%0.594SS.*Hα-helixtrans-65.3-55168.5-56.40000111W384 M385 L390 G391 D392W384-S388 PolarHBondContact O-N 3.11Å; W384-S388 PolarHBondContact O-OG 3.34Å; M385-S388 PolarHBondContact O-N 3.43Å; S388-L390 PolarHBondContact O-N 2.69Å; S388-L390 VanDerWaalsContact O-N 3.14Å; S388-G391 PolarHBondContact O-N 3.26Å; S388-D392 PolarHBondContact O-N 2.78Å
389A74.1Confident67.2Low69 Ų69121 Ų12157%0.5761%0.609SS**Hα-helixtrans-63.7-22.5-176.200000114.6M385 L386M385-A389 VanDerWaalsContact O-CB 3.31Å; M385-A389 WeakPolarHBondContact O-CB 3.43Å; M385-A389 PolarHBondContact O-N 3.11Å; L386-A389 PolarHBondContact O-N 3Å
390L67.9Low64.6Low105 Ų105123.4 Ų123.455%0.5562%0.618SS.*Hα-helixtrans-94.8-27.6171.3-65.2174.2000113.1L386 S388L386-L390 HydrophobicContact CD2-CD1 3.72Å; L386-L390 HydrophobicContact CD2-CG 4.24Å; L386-L390 WeakPolarHBondContact O-CB 3.47Å; L386-L390 VanDerWaalsContact O-CG 3.28Å; L386-L390 WeakPolarHBondContact O-CG 3.41Å; L386-L390 PolarHBondContact O-N 3.12Å; S388-L390 PolarHBondContact O-N 2.69Å; S388-L390 VanDerWaalsContact O-N 3.14Å
391G53.2Low62.4Low31 Ų31129.8 Ų129.832%0.3264%0.636SS.*Hα-helixtrans-69.4-36.2-176.700000113.6K387 S388 R393 I394K387-G391 WeakPolarHBondContact O-CA 3.27Å; K387-G391 PolarHBondContact O-N 3.47Å; S388-G391 PolarHBondContact O-N 3.26Å; G391-R393 PolarHBondContact O-N 2.86Å; G391-I394 PolarHBondContact O-N 3.46Å
392D50.9Low59.6Low144 Ų144134.4 Ų134.477%0.7766%0.658SS**THydrogen-bonded Turntrans-72.19.7-179-61.3-21.3000113.8S388S388-D392 PolarHBondContact O-N 2.78Å
393R51.3Low56.9Low220 Ų220140.1 Ų140.183%0.8368%0.683SS**THydrogen-bonded Turntrans-114.2-1.5175.5-71.6-174.3170.7-84.8-3.2114.8G391G391-R393 PolarHBondContact O-N 2.86Å
394I50.7Low54.2Low145 Ų145143.2 Ų143.274%0.74470%0.699SS**SBendtrans-128.812.3-170.9-48.3-178.6000111.4G391G391-I394 PolarHBondContact O-N 3.46Å
395K48.8Very low51.8Low201 Ų201140.8 Ų140.887%0.87470%0.704SS**  trans-126.435.8-178.3-75.1-159.7169-161.90114.6
396E43.5Very low49.3Very low176 Ų176139.3 Ų139.382%0.82271%0.714SS**SBendtrans-124.2130.7166.3-163.9172.1-127.800108.1
397K42.5Very low47.1Very low190 Ų190142.9 Ų142.983%0.82673%0.733SS**SBendtrans72.473.1-172.7-49.2-177.5-175.8-176.50116.8
398T38.3Very low45Very low145 Ų145145.2 Ų145.289%0.8975%0.746SS**  trans-162.889135.140000110.6
399D34.8Very low43Very low147 Ų147151.4 Ų151.479%0.78677%0.771SS**  trans-141.4122.1164.8-92.8-55.2000108.2
400H35.9Very low41.1Very low168 Ų168154 Ų15478%0.77878%0.779SS**  trans5.5144.6157.9-48.7-74.9000120
401K38.6Very low39.5Very low204 Ų204157.6 Ų157.689%0.88779%0.793SS**  cis-153.217144.1-89.4-167.6169.4-161.60115.5
402E35.2Very low38.5Very low182 Ų182164.1 Ų164.185%0.8582%0.82SS**  trans-93.8139169.5-52.8143.3134.400112.1
403E33.3Very low37.6Very low199 Ų199160.1 Ų160.193%0.9381%0.813SS**  trans-161.9155151.9-71.3-170.3174.600104.7
404D33.4Very low36.8Very low138 Ų138156.4 Ų156.474%0.73882%0.815SS**  cis-167.6173.8-26.5179.727.5000105.4
405T35.8Very low36.3Very low128 Ų128157.9 Ų157.979%0.78582%0.819SS**  trans65.6138.5176.564.80000117
406G31.7Very low35.8Very low65 Ų65156 Ų15667%0.6781%0.813SS**  trans-128.1-173.3168.200000110.3
407N31.4Very low35.5Very low179 Ų179152.7 Ų152.796%0.95781%0.805SS**  trans-166.3-177.9157.8-103.7-13.5000111
408E37.5Very low35.4Very low175 Ų175151.7 Ų151.782%0.81881%0.808SS**  trans-100.6174.8-156.1-136.5164.8-168.300114.7
409E33.6Very low35.3Very low169 Ų169150.8 Ų150.879%0.7981%0.808SS**  trans75.6119.2153.8-71.6-171.3157.800123.7
410V35Very low35.6Very low123 Ų123151.9 Ų151.975%0.74581%0.808SS**  90152.8128.8174.60000121.1
411E34.5Very low35.4Very low181 Ų181152.3 Ų152.385%0.84681%0.81SS**  trans-56.3151.3-172.5-56.7163.7116.700114.6
412D31.2Very low35.4Very low167 Ų167148.4 Ų148.489%0.89381%0.808SS**  -157.6-173.781.4-166.38.1000112
413G33.5Very low35.8Very low60 Ų60148 Ų14862%0.61981%0.812SS**  trans-69.7-171.3-176.200000116.8
414T33.3Very low35.9Very low142 Ų142141.9 Ų141.987%0.87180%0.803SS**  cis-147.7-169.720.447.50000113.6
415E39.7Very low35.8Very low176 Ų176143.7 Ų143.782%0.82281%0.81SS**  trans-50.7168.5174.2-48.3176.1141.900113.6
416E39.1Very low35.8Very low162 Ų162143 Ų14376%0.75781%0.806SS**  cis-164.2172.228.8-152.8-166.1168.100111.9
417T37.9Very low35.9Very low107 Ų107149.1 Ų149.166%0.65682%0.817SS**  trans71.389.7157.762.80000122.3
418L39.1Very low36Very low169 Ų169151 Ų15189%0.88581%0.812SS**  37.4119.7119.5-59.1172.3000121.2
419S36.6Very low35.9Very low126 Ų126146.2 Ų146.288%0.88181%0.81SS**  trans-148.4158.2136.1-164.40000111.3
420Q40.8Very low36.6Very low169 Ų169143.7 Ų143.779%0.7981%0.808SS**  trans-103.6153.3-159.4-71.5-178.8-25.600115.8
421H32.8Very low36.7Very low177 Ų177147.9 Ų147.982%0.81982%0.817SS**  trans-25.3142.6169.8-44-78.5000117.9
422S37.6Very low36.9Very low122 Ų122148 Ų14885%0.85381%0.814SS**  trans-149.7151.6153.4-74.50000109.7
423D44Very low37Very low174 Ų174145.5 Ų145.593%0.9381%0.805SS**  trans-67.3154.1-165.7-59.6-70.1000115.2
424G34.9Very low37.1Very low71 Ų71154 Ų15473%0.73282%0.818SS**  trans-177.823.7177.200000119.4
425I31.3Very low37.7Very low175 Ų175153.2 Ų153.290%0.89782%0.816SS**  trans-87.6115.3173.8-161.4165.8000111.6
426V37.1Very low37.2Very low115 Ų115148.4 Ų148.470%0.69781%0.813SS**  trans-133.1106.8-178.9-1730000108.5
427E33.4Very low37Very low193 Ų193149.1 Ų149.190%0.90282%0.822SS**  trans-91.8130.2-180-163.4170.1-154.700111.9
428Y33.3Very low36.9Very low218 Ų218148.5 Ų148.586%0.85582%0.821SS**  trans-95148.9-178.9-84.5-111.8000111.5
429G36.1Very low36.5Very low75 Ų75148.8 Ų148.877%0.77382%0.821SS**  trans175.5119.4163.100000117.4
430P46.3Very low36.4Very low115 Ų115151.2 Ų151.275%0.74782%0.817SS**  trans-123.8150.1-168.839.8-27.9000116.4
431K37.8Very low36Very low212 Ų212155 Ų15592%0.92282%0.824SS**  trans-140.9165.5166.8-69.9-167.4179.8177.70114
432K38.9Very low36Very low184 Ų184156 Ų15680%0.883%0.827SS**  trans-149.1168.5-163.4-44.6172.7-175.7168.80109.1
433T33.5Very low36.5Very low114 Ų114155.5 Ų155.570%0.69982%0.82SS**  cis-158.5127.58.9-240000112.4
434R35.6Very low36.4Very low237 Ų237153.1 Ų153.189%0.89482%0.815SS**  trans57.1-170.1159-69.2179.3172-166.9-0.9116.5
435P45.3Very low36.3Very low126 Ų126160.5 Ų160.582%0.81882%0.822SS**  -132.5164-77.240.7-26.1000115.2
436G30.3Very low36.5Very low75 Ų75162 Ų16277%0.77382%0.816SS**  trans178.1126.6166.400000119.5
437L35.2Very low36.3Very low178 Ų178161.8 Ų161.893%0.93282%0.82SS**  trans53.6111.5148.2-58.2-179.2000122.6
438S35.8Very low36.3Very low93 Ų93159.9 Ų159.965%0.6581%0.811SS**  trans-42.6142.6152.5173.60000115.9
439M30.7Very low36.3Very low176 Ų176155 Ų15587%0.86781%0.808SS**  trans-147.9137142.3-99.1-57.2110.800111.4
440H33Very low36.6Very low176 Ų176159.8 Ų159.882%0.81582%0.815SS**  trans-75.2143.2174.9-77.7-82000112.1
441R32.2Very low35.9Very low248 Ų248159.7 Ų159.794%0.93682%0.817SS**  trans-126.1138.6154.1-84.6-170168.2-172-3111.5
442K34.2Very low35.8Very low199 Ų199155.8 Ų155.887%0.86581%0.814SS**PPolyproline II helixtrans-80.6155.4175-68.6176.3179.11760110.1
443P46.9Very low35.4Very low111 Ų111151.8 Ų151.872%0.72181%0.809SS**PPolyproline II helixtrans-75.5146.3-177.330.9-35.8000112.7
444P43.3Very low35.9Very low125 Ų125153.1 Ų153.181%0.81282%0.819SS**PPolyproline II helixtrans-78.7161168.533.6-34.1000112
445Y32.5Very low36.2Very low225 Ų225145 Ų14588%0.88280%0.803SS**PPolyproline II helixtrans-86161.3-172.6-90.2-120.4000114.2
446R34.7Very low36.4Very low207 Ų207143.8 Ų143.878%0.78179%0.789SS**PPolyproline II helixtrans-57.6129.9161.8169.7-158.8-96.2-158.93.2110.6H448R446-H448 WeakPolarHBondContact CD-NE2 3.31Å; R446-H448 PolarHBondContact NH1-NE2 2.89Å
447S33.8Very low37.3Very low111 Ų111148.3 Ų148.378%0.77679%0.788SS**  trans-119.9137.8162.753.40000110.9
448H33.6Very low38Very low153 Ų153143.8 Ų143.871%0.70877%0.77SS**  trans-105.9122.3172.7-72.7-88.8000109.7R446R446-H448 WeakPolarHBondContact CD-NE2 3.31Å; R446-H448 PolarHBondContact NH1-NE2 2.89Å
449S33.4Very low38.8Very low115 Ų115146.2 Ų146.280%0.80477%0.769SS**  trans-158.4124.6161.154.20000111.4
450L40.9Very low40Very low176 Ų176144 Ų14492%0.92176%0.757SS**  trans-57.4135.5-171.6-59.8160.3000114.9
451S31.8Very low41.1Very low112 Ų112142.2 Ų142.278%0.78375%0.747SS**  trans-163.7116.9155.3-86.50000108.8S453S451-S453 PolarHBondContact O-N 3.4Å
452P37Very low42.1Very low131 Ų131135.7 Ų135.785%0.85173%0.727SS**  trans-86.398.1-177.332.4-32.4000111.6
453S30.1Very low43.3Very low99 Ų99130 Ų13069%0.69271%0.709SS**  trans-78.1135.5169.959.20000111.3S451 A455S451-S453 PolarHBondContact O-N 3.4Å; S453-A455 VanDerWaalsContact C-N 3.31Å; S453-A455 PolarHBondContact O-N 3.11Å
454P43.5Very low44.1Very low142 Ų142128.5 Ų128.592%0.92269%0.692SS**  trans-81.869.7-173.633.2-36.5000112.1
455A42Very low45.1Very low66 Ų66131.5 Ų131.555%0.54569%0.687SS.*  trans-120.6130.5-171.800000114.7S453S453-A455 VanDerWaalsContact C-N 3.31Å; S453-A455 PolarHBondContact O-N 3.11Å
456N48.7Very low46.8Very low101 Ų101127.8 Ų127.854%0.5468%0.676SS.*  trans66.938.4155.9-68.7-70.2000119.9C458 K459N456-C458 PolarHBondContact O-N 2.78Å; N456-C458 VanDerWaalsContact O-N 3.11Å; N456-K459 HydrophobicContact CB-CD 4.42Å; N456-K459 PolarHBondContact O-N 2.88Å
457K51Low48.3Very low171 Ų171126.1 Ų126.174%0.74367%0.669SS**Hα-helixtrans-44.7-42.5165.1-70.5-178179.3176.90113K459 Q460 F461K457-K459 PolarHBondContact O-N 3.25Å; K457-Q460 PolarHBondContact O-N 3.34Å; K457-F461 HydrophobicContact CB-CD2 4.41Å; K457-F461 HydrophobicContact CB-CE2 4.22Å; K457-F461 VanDerWaalsContact O-CD2 3.25Å; K457-F461 WeakPolarHBondContact O-CD2 3.33Å; K457-F461 PolarHBondContact O-N 2.99Å; K457-F461 VanDerWaalsContact O-N 3.12Å
458C48.5Very low50Low83 Ų83126.2 Ų126.256%0.56166%0.658SS**Hα-helixtrans-58.8-40.2-177.2-173.50000114.1N456 Q460 F461 H462N456-C458 PolarHBondContact O-N 2.78Å; N456-C458 VanDerWaalsContact O-N 3.11Å; C458-Q460 VanDerWaalsContact C-N 3.34Å; C458-Q460 PolarHBondContact O-N 3.39Å; C458-F461 PolarHBondContact O-N 2.76Å; C458-H462 PolarHBondContact O-N 3.47Å; C458-H462 VanDerWaalsContact O-N 3.11Å
459K54Low51.7Low143 Ų143127.2 Ų127.262%0.62266%0.655SS**Hα-helixtrans-69.6-32.5-179.9-67.1-176.7-179.6176.30112.1N456 K457 T463N456-K459 HydrophobicContact CB-CD 4.42Å; N456-K459 PolarHBondContact O-N 2.88Å; K457-K459 PolarHBondContact O-N 3.25Å; K459-T463 PolarHBondContact O-N 3.08Å; K459-T463 PolarHBondContact O-OG1 3.22Å; K459-T463 VanDerWaalsContact O-OG1 3.05Å
460Q56Low53.5Low131 Ų131128.9 Ų128.961%0.61265%0.648SS**Hα-helixtrans-69.3-48.9174-168.8169.4-6.200111.1K457 C458 H462 T463 E464K457-Q460 PolarHBondContact O-N 3.34Å; C458-Q460 VanDerWaalsContact C-N 3.34Å; C458-Q460 PolarHBondContact O-N 3.39Å; Q460-H462 VanDerWaalsContact C-N 3.29Å; Q460-H462 PolarHBondContact O-N 3.34Å; Q460-T463 PolarHBondContact O-N 3.14Å; Q460-T463 PolarHBondContact O-OG1 3.29Å; Q460-E464 PolarHBondContact O-N 3.12Å
461F54.5Low54.6Low137 Ų137129.3 Ų129.360%0.60164%0.637SS**Hα-helixtrans-57.6-37.9176.6-75.1-62.3000113.6K457 C458 T463 E464 R465K457-F461 HydrophobicContact CB-CD2 4.41Å; K457-F461 HydrophobicContact CB-CE2 4.22Å; K457-F461 VanDerWaalsContact O-CD2 3.25Å; K457-F461 WeakPolarHBondContact O-CD2 3.33Å; K457-F461 PolarHBondContact O-N 2.99Å; K457-F461 VanDerWaalsContact O-N 3.12Å; C458-F461 PolarHBondContact O-N 2.76Å; F461-T463 PolarHBondContact O-N 3.01Å; F461-E464 PolarHBondContact O-N 2.95Å; F461-R465 WeakPolarHBondContact O-CB 3.38Å; F461-R465 WeakPolarHBondContact O-CG 3.48Å; F461-R465 PolarHBondContact O-N 3.48Å
462H53Low56.5Low112 Ų112132.9 Ų132.952%0.51963%0.634SS.*Hα-helixtrans-66.9-33.6175.6-100.1-60.5000113.9C458 Q460 K466C458-H462 PolarHBondContact O-N 3.47Å; C458-H462 VanDerWaalsContact O-N 3.11Å; Q460-H462 VanDerWaalsContact C-N 3.29Å; Q460-H462 PolarHBondContact O-N 3.34Å; H462-K466 WeakPolarHBondContact O-CB 3.41Å; H462-K466 VanDerWaalsContact O-CG 3.28Å; H462-K466 WeakPolarHBondContact O-CG 3.48Å; H462-K466 PolarHBondContact O-N 3.43Å; H462-K466 VanDerWaalsContact O-N 3.17Å
463T59.6Low58.3Low80 Ų80130.3 Ų130.349%0.49161%0.61SS.*Hα-helixtrans-78.3-34.7176.344.70000111.9K459 Q460 F461 K466 R467K459-T463 PolarHBondContact O-N 3.08Å; K459-T463 PolarHBondContact O-OG1 3.22Å; K459-T463 VanDerWaalsContact O-OG1 3.05Å; Q460-T463 PolarHBondContact O-N 3.14Å; Q460-T463 PolarHBondContact O-OG1 3.29Å; F461-T463 PolarHBondContact O-N 3.01Å; T463-K466 PolarHBondContact O-N 3.04Å; T463-R467 WeakPolarHBondContact O-CG 3.25Å; T463-R467 PolarHBondContact O-N 2.98Å
464E64.1Low60.4Low79 Ų79129 Ų12937%0.36960%0.598SS.*Hα-helixtrans-65-50.2172.7-147.364.9-107.400111.5Q460 F461 K466 R467 Q468Q460-E464 PolarHBondContact O-N 3.12Å; F461-E464 PolarHBondContact O-N 2.95Å; E464-K466 VanDerWaalsContact C-N 3.32Å; E464-K466 PolarHBondContact O-N 2.86Å; E464-R467 PolarHBondContact O-N 2.96Å; E464-Q468 PolarHBondContact O-N 3.09Å
465R64Low62.2Low188 Ų188125.9 Ų125.971%0.70957%0.573SS**Hα-helixtrans-57.6-42.1174.4-79.5-175.2170.5-170.2-3111.7F461 R467 Q468 R469F461-R465 WeakPolarHBondContact O-CB 3.38Å; F461-R465 WeakPolarHBondContact O-CG 3.48Å; F461-R465 PolarHBondContact O-N 3.48Å; R465-R467 VanDerWaalsContact C-N 3.32Å; R465-R467 PolarHBondContact O-N 3.45Å; R465-Q468 PolarHBondContact O-N 2.88Å; R465-R469 VanDerWaalsContact O-CB 3.24Å; R465-R469 WeakPolarHBondContact O-CB 3.41Å; R465-R469 PolarHBondContact O-N 3.36Å
466K68.9Low64.1Low146 Ų146126.4 Ų126.464%0.63557%0.57SS**Hα-helixtrans-66-29.8175.8-77.5178.5179.1-1790113.2H462 T463 E464 K470H462-K466 WeakPolarHBondContact O-CB 3.41Å; H462-K466 VanDerWaalsContact O-CG 3.28Å; H462-K466 WeakPolarHBondContact O-CG 3.48Å; H462-K466 PolarHBondContact O-N 3.43Å; H462-K466 VanDerWaalsContact O-N 3.17Å; T463-K466 PolarHBondContact O-N 3.04Å; E464-K466 VanDerWaalsContact C-N 3.32Å; E464-K466 PolarHBondContact O-N 2.86Å; K466-K470 WeakPolarHBondContact O-CG 3.48Å; K466-K470 PolarHBondContact O-N 3.43Å
467R66.8Low65.3Low173 Ų173127.9 Ų127.965%0.65357%0.573SS**Hα-helixtrans-76.3-45.1173.5-77.6174.9168.6-175.6-2.9112.5T463 E464 R465 K470 R471T463-R467 WeakPolarHBondContact O-CG 3.25Å; T463-R467 PolarHBondContact O-N 2.98Å; E464-R467 PolarHBondContact O-N 2.96Å; R465-R467 VanDerWaalsContact C-N 3.32Å; R465-R467 PolarHBondContact O-N 3.45Å; R467-K470 PolarHBondContact O-N 3.35Å; R467-R471 PolarHBondContact O-N 2.77Å; R467-R471 VanDerWaalsContact O-N 3.12Å
468Q69.8Low66.8Low113 Ų113125 Ų12553%0.52856%0.563SS.*Hα-helixtrans-63.7-42.5176.8-72.5-173-7.900112.1E464 R465 K470 R471 R472E464-Q468 PolarHBondContact O-N 3.09Å; R465-Q468 PolarHBondContact O-N 2.88Å; Q468-K470 PolarHBondContact O-N 2.88Å; Q468-R471 PolarHBondContact O-N 3.09Å; Q468-R472 PolarHBondContact O-N 2.84Å
469R68.1Low68.6Low174 Ų174128.3 Ų128.366%0.65757%0.568SS**Hα-helixtrans-58.3-47.8175.8179.4167178.3156.64.8111.6R465 R471 R472 E473R465-R469 VanDerWaalsContact O-CB 3.24Å; R465-R469 WeakPolarHBondContact O-CB 3.41Å; R465-R469 PolarHBondContact O-N 3.36Å; R469-R471 VanDerWaalsContact C-N 3.3Å; R469-R471 PolarHBondContact O-N 2.89Å; R469-R472 PolarHBondContact O-N 3.37Å; R469-E473 HydrophobicContact CG-CG 4.41Å; R469-E473 WeakPolarHBondContact CG-OE1 3.49Å; R469-E473 IonicContact CZ-OE1 3.18Å; R469-E473 IonicContact NE-OE1 3.99Å; R469-E473 PolarHBondContact NE-OE1 2.92Å; R469-E473 IonicContact NH2-OE1 3.71Å; R469-E473 WeakPolarHBondContact O-CB 3.32Å; R469-E473 VanDerWaalsContact O-CG 3.31Å; R469-E473 WeakPolarHBondContact O-CG 3.44Å; R469-E473 PolarHBondContact O-N 3.44Å
470K70.8Confident70.2Confident150 Ų150129.8 Ų129.865%0.65257%0.57SS**Hα-helixtrans-61.8-32.5175.8-78-167173.2-164.50114K466 R467 Q468 T474K466-K470 WeakPolarHBondContact O-CG 3.48Å; K466-K470 PolarHBondContact O-N 3.43Å; R467-K470 PolarHBondContact O-N 3.35Å; Q468-K470 PolarHBondContact O-N 2.88Å; K470-T474 PolarHBondContact O-N 3.05Å; K470-T474 PolarHBondContact O-OG1 3.49Å
471R65.3Low71.6Confident185 Ų185126.2 Ų126.270%0.69856%0.563SS**Hα-helixtrans-66.8-53171.9-75.3-175.6174.7-179.4-2111.1R467 Q468 R469 E473 T474 D475R467-R471 PolarHBondContact O-N 2.77Å; R467-R471 VanDerWaalsContact O-N 3.12Å; Q468-R471 PolarHBondContact O-N 3.09Å; R469-R471 VanDerWaalsContact C-N 3.3Å; R469-R471 PolarHBondContact O-N 2.89Å; R471-E473 PolarHBondContact O-N 3.46Å; R471-T474 WeakPolarHBondContact CA-OG1 3.49Å; R471-T474 CarbonylContact O-C 3.58Å; R471-T474 WeakPolarHBondContact O-CA 3.32Å; R471-T474 PolarHBondContact O-N 3.25Å; R471-T474 PolarHBondContact O-OG1 2.88Å; R471-D475 WeakPolarHBondContact O-CB 3.06Å; R471-D475 PolarHBondContact O-N 3.26Å; R471-D475 VanDerWaalsContact O-OD2 3.06Å
472R71.6Confident73.3Confident187 Ų187125 Ų12571%0.70656%0.558SS**Hα-helixtrans-56.6-36.7176.6-68.3-175.1176.9-137.2-0.9112.7Q468 R469 D475 T476Q468-R472 PolarHBondContact O-N 2.84Å; R469-R472 PolarHBondContact O-N 3.37Å; R472-D475 PolarHBondContact O-N 3.13Å; R472-T476 WeakPolarHBondContact O-CB 3.32Å; R472-T476 WeakPolarHBondContact O-CG2 3.17Å; R472-T476 PolarHBondContact O-N 3.48Å; R472-T476 PolarHBondContact O-OG1 3.09Å
473E73.5Confident75.2Confident77 Ų77122.3 Ų122.336%0.3656%0.556SS.*Hα-helixtrans-64.6-44.5172.1-72163.517700111.8R469 R471 D475 T476 H477R469-E473 HydrophobicContact CG-CG 4.41Å; R469-E473 WeakPolarHBondContact CG-OE1 3.49Å; R469-E473 IonicContact CZ-OE1 3.18Å; R469-E473 IonicContact NE-OE1 3.99Å; R469-E473 PolarHBondContact NE-OE1 2.92Å; R469-E473 IonicContact NH2-OE1 3.71Å; R469-E473 WeakPolarHBondContact O-CB 3.32Å; R469-E473 VanDerWaalsContact O-CG 3.31Å; R469-E473 WeakPolarHBondContact O-CG 3.44Å; R469-E473 PolarHBondContact O-N 3.44Å; R471-E473 PolarHBondContact O-N 3.46Å; E473-D475 PolarHBondContact O-N 3.49Å; E473-T476 PolarHBondContact O-OG1 3.42Å; E473-T476 VanDerWaalsContact O-OG1 3.12Å; E473-H477 WeakPolarHBondContact O-CB 3.31Å; E473-H477 PolarHBondContact O-CD2 3.05Å; E473-H477 PolarHBondContact O-N 2.92Å; E473-H477 VanDerWaalsContact O-N 3.15Å
474T75.8Confident76.4Confident72 Ų72126.3 Ų126.344%0.44257%0.567SS.*Hα-helixtrans-67-35173.551.40000113.7K470 R471 H477 Q478K470-T474 PolarHBondContact O-N 3.05Å; K470-T474 PolarHBondContact O-OG1 3.49Å; R471-T474 WeakPolarHBondContact CA-OG1 3.49Å; R471-T474 CarbonylContact O-C 3.58Å; R471-T474 WeakPolarHBondContact O-CA 3.32Å; R471-T474 PolarHBondContact O-N 3.25Å; R471-T474 PolarHBondContact O-OG1 2.88Å; T474-H477 PolarHBondContact O-N 3.31Å; T474-Q478 WeakPolarHBondContact O-CG 3.46Å; T474-Q478 PolarHBondContact O-N 3.4Å
475D81.4Confident77.7Confident75 Ų75126.6 Ų126.640%0.40157%0.574SS.*Hα-helixtrans-74.7-40.9-174.7-55.5-21.4000110.2R471 R472 E473 Q478 F479R471-D475 WeakPolarHBondContact O-CB 3.06Å; R471-D475 PolarHBondContact O-N 3.26Å; R471-D475 VanDerWaalsContact O-OD2 3.06Å; R472-D475 PolarHBondContact O-N 3.13Å; E473-D475 PolarHBondContact O-N 3.49Å; D475-Q478 PolarHBondContact O-N 2.85Å; D475-F479 PolarHBondContact O-N 2.88Å
476T81.4Confident79Confident78 Ų78122.6 Ų122.648%0.47956%0.564SS.*Hα-helixtrans-66.1-34.9171.449.50000112.8R472 E473 R480R472-T476 WeakPolarHBondContact O-CB 3.32Å; R472-T476 WeakPolarHBondContact O-CG2 3.17Å; R472-T476 PolarHBondContact O-N 3.48Å; R472-T476 PolarHBondContact O-OG1 3.09Å; E473-T476 PolarHBondContact O-OG1 3.42Å; E473-T476 VanDerWaalsContact O-OG1 3.12Å; T476-R480 WeakPolarHBondContact O-CB 3.41Å; T476-R480 WeakPolarHBondContact O-CG 3.45Å; T476-R480 PolarHBondContact O-N 2.69Å
477H73.8Confident79.9Confident131 Ų131117.5 Ų117.561%0.60655%0.549SS*.Hα-helixtrans-65.1-37.9169.8-86.3-63.8000112.6E473 T474 A481E473-H477 WeakPolarHBondContact O-CB 3.31Å; E473-H477 PolarHBondContact O-CD2 3.05Å; E473-H477 PolarHBondContact O-N 2.92Å; E473-H477 VanDerWaalsContact O-N 3.15Å; T474-H477 PolarHBondContact O-N 3.31Å; H477-A481 WeakPolarHBondContact O-CB 3.42Å; H477-A481 PolarHBondContact O-N 3Å
478Q81.3Confident81Confident110 Ų110115.9 Ų115.951%0.51455%0.547SS..Hα-helixtrans-68.2-45.4175.1-75.7176.357.400112.2T474 D475 R480 A481 Q482T474-Q478 WeakPolarHBondContact O-CG 3.46Å; T474-Q478 PolarHBondContact O-N 3.4Å; D475-Q478 PolarHBondContact O-N 2.85Å; Q478-R480 PolarHBondContact O-N 3.31Å; Q478-A481 PolarHBondContact O-N 2.8Å; Q478-Q482 WeakPolarHBondContact O-CG 3.28Å; Q478-Q482 PolarHBondContact O-N 2.89Å
479F87.9Confident82Confident154 Ų154115.2 Ų115.268%0.67554%0.543SS*.Hα-helixtrans-58.7-44.4174.6-99.9-82000112.2D475 A481 Q482 A483D475-F479 PolarHBondContact O-N 2.88Å; F479-A481 PolarHBondContact O-N 2.79Å; F479-Q482 PolarHBondContact O-N 3.42Å; F479-A483 WeakPolarHBondContact O-CB 3.41Å; F479-A483 PolarHBondContact O-N 2.65Å
480R85.9Confident82.9Confident174 Ų174112.6 Ų112.666%0.65753%0.534SS*.Hα-helixtrans-61.7-42.6174.6-74.9176.6174.9-171.9-2.2111.8T476 Q478 A483 F484T476-R480 WeakPolarHBondContact O-CB 3.41Å; T476-R480 WeakPolarHBondContact O-CG 3.45Å; T476-R480 PolarHBondContact O-N 2.69Å; Q478-R480 PolarHBondContact O-N 3.31Å; R480-A483 PolarHBondContact O-N 3.39Å; R480-F484 WeakPolarHBondContact O-CD2 3.3Å; R480-F484 PolarHBondContact O-N 3.16Å
481A85.8Confident83.5Confident56 Ų56110.8 Ų110.846%0.46353%0.527SS..Hα-helixtrans-63-43.6176.200000112.3H477 Q478 F479 F484 T485H477-A481 WeakPolarHBondContact O-CB 3.42Å; H477-A481 PolarHBondContact O-N 3Å; Q478-A481 PolarHBondContact O-N 2.8Å; F479-A481 PolarHBondContact O-N 2.79Å; A481-F484 PolarHBondContact O-N 2.93Å; A481-T485 PolarHBondContact O-N 2.84Å; A481-T485 PolarHBondContact O-OG1 3.37Å
482Q90.6Very high84.3Confident110 Ų110106.6 Ų106.651%0.51452%0.518SS..Hα-helixtrans-61.4-48176.3-74.8177-3.500111.6Q478 F479 F484 T485 E486Q478-Q482 WeakPolarHBondContact O-CG 3.28Å; Q478-Q482 PolarHBondContact O-N 2.89Å; F479-Q482 PolarHBondContact O-N 3.42Å; Q482-F484 VanDerWaalsContact C-N 3.32Å; Q482-F484 PolarHBondContact O-N 3.2Å; Q482-T485 WeakPolarHBondContact CA-OG1 3.45Å; Q482-T485 PolarHBondContact O-N 3.27Å; Q482-T485 VanDerWaalsContact O-N 3.12Å; Q482-T485 PolarHBondContact O-OG1 3.02Å; Q482-E486 WeakPolarHBondContact O-CB 3.49Å; Q482-E486 PolarHBondContact O-N 3.47Å
483A92Very high84.9Confident57 Ų57105.2 Ų105.247%0.47151%0.513SS..Hα-helixtrans-59.1-40.5177.100000112.4F479 R480 E486 A487F479-A483 WeakPolarHBondContact O-CB 3.41Å; F479-A483 PolarHBondContact O-N 2.65Å; R480-A483 PolarHBondContact O-N 3.39Å; A483-E486 PolarHBondContact O-N 3.02Å; A483-A487 VanDerWaalsContact O-CB 3.27Å; A483-A487 WeakPolarHBondContact O-CB 3.46Å; A483-A487 PolarHBondContact O-N 3.16Å
484F86.7Confident85.1Confident163 Ų163109.7 Ų109.772%0.71553%0.527SS*.Hα-helixtrans-66.1-40.2173.7-81.6-59.8000113R480 A481 Q482 F488R480-F484 WeakPolarHBondContact O-CD2 3.3Å; R480-F484 PolarHBondContact O-N 3.16Å; A481-F484 PolarHBondContact O-N 2.93Å; Q482-F484 VanDerWaalsContact C-N 3.32Å; Q482-F484 PolarHBondContact O-N 3.2Å; F484-F488 WeakPolarHBondContact O-CB 3.25Å; F484-F488 PolarHBondContact O-N 2.99Å
485T89.4Confident84.9Confident86 Ų86111.7 Ų111.753%0.52853%0.531SS..Hα-helixtrans-68-38.3175.646.10000112.7A481 Q482 F488 E489A481-T485 PolarHBondContact O-N 2.84Å; A481-T485 PolarHBondContact O-OG1 3.37Å; Q482-T485 WeakPolarHBondContact CA-OG1 3.45Å; Q482-T485 PolarHBondContact O-N 3.27Å; Q482-T485 VanDerWaalsContact O-N 3.12Å; Q482-T485 PolarHBondContact O-OG1 3.02Å; T485-F488 PolarHBondContact O-N 2.64Å; T485-E489 PolarHBondContact O-N 2.99Å
486E91.9Very high84.6Confident104 Ų104114.7 Ų114.749%0.48654%0.54SS..Hα-helixtrans-73.2-37-179.7-156.6-139.9129.700111.7Q482 A483 E489 R490Q482-E486 WeakPolarHBondContact O-CB 3.49Å; Q482-E486 PolarHBondContact O-N 3.47Å; A483-E486 PolarHBondContact O-N 3.02Å; E486-E489 PolarHBondContact O-N 3.21Å; E486-R490 WeakPolarHBondContact O-CB 3.33Å; E486-R490 PolarHBondContact O-N 3.15Å; E486-R490 IonicContact OE1-CZ 2.71Å; E486-R490 IonicContact OE1-NE 3.75Å; E486-R490 PolarHBondContact OE1-NE 2.97Å; E486-R490 IonicContact OE1-NH2 2.89Å; E486-R490 PolarHBondContact OE1-NH2 3.43Å; E486-R490 IonicContact OE2-NH2 3.96Å; E486-R490 PolarHBondContact OE2-NH2 3.04Å; E486-R490 VanDerWaalsContact OE2-NH2 3.14Å
487A88.6Confident84Confident39 Ų39115 Ų11532%0.32254%0.542SS..Hα-helixtrans-60.6-44.8169.300000111.4A483 E489 R490 E491A483-A487 VanDerWaalsContact O-CB 3.27Å; A483-A487 WeakPolarHBondContact O-CB 3.46Å; A483-A487 PolarHBondContact O-N 3.16Å; A487-E489 PolarHBondContact O-N 3.5Å; A487-R490 PolarHBondContact O-N 3.5Å; A487-E491 PolarHBondContact O-N 3.38Å
488F89.9Confident83.3Confident139 Ų139115.1 Ų115.161%0.6154%0.543SS*.Hα-helixtrans-65.1-36.3176.5-175.6-107.5000112.8F484 T485 E491 L492F484-F488 WeakPolarHBondContact O-CB 3.25Å; F484-F488 PolarHBondContact O-N 2.99Å; T485-F488 PolarHBondContact O-N 2.64Å; F488-E491 PolarHBondContact O-N 2.91Å; F488-L492 HydrophobicContact CD1-CD1 3.91Å; F488-L492 HydrophobicContact CE1-CD1 3.56Å; F488-L492 HydrophobicContact CE1-CG 4.31Å; F488-L492 HydrophobicContact CZ-CD1 4.11Å; F488-L492 HydrophobicContact CZ-CG 4.43Å; F488-L492 PolarHBondContact O-N 3.11Å
489E90.2Very high82.4Confident98 Ų98115.4 Ų115.446%0.45854%0.544SS..Hα-helixtrans-67.1-39.4170.4-84.6-157.9-152.900112.9T485 E486 A487 E491 L492 R493T485-E489 PolarHBondContact O-N 2.99Å; E486-E489 PolarHBondContact O-N 3.21Å; A487-E489 PolarHBondContact O-N 3.5Å; E489-E491 VanDerWaalsContact C-N 3.29Å; E489-E491 PolarHBondContact O-N 2.95Å; E489-L492 PolarHBondContact O-N 3.06Å; E489-R493 WeakPolarHBondContact O-CB 3.18Å; E489-R493 VanDerWaalsContact O-CG 3.22Å; E489-R493 WeakPolarHBondContact O-CG 3.37Å; E489-R493 PolarHBondContact O-N 3.22Å; E489-R493 IonicContact OE2-CZ 2.71Å; E489-R493 IonicContact OE2-NE 2.68Å; E489-R493 IonicContact OE2-NH2 3.33Å; E489-R493 PolarHBondContact OE2-NH2 3.47Å
490R86.9Confident80.9Confident119 Ų119113.9 Ų113.945%0.44954%0.543SS..Hα-helixtrans-61.9-38.6173-83.7-175.7-101.7119.2-11.3111.4E486 A487 R493 R494E486-R490 WeakPolarHBondContact O-CB 3.33Å; E486-R490 PolarHBondContact O-N 3.15Å; E486-R490 IonicContact OE1-CZ 2.71Å; E486-R490 IonicContact OE1-NE 3.75Å; E486-R490 PolarHBondContact OE1-NE 2.97Å; E486-R490 IonicContact OE1-NH2 2.89Å; E486-R490 PolarHBondContact OE1-NH2 3.43Å; E486-R490 IonicContact OE2-NH2 3.96Å; E486-R490 PolarHBondContact OE2-NH2 3.04Å; E486-R490 VanDerWaalsContact OE2-NH2 3.14Å; A487-R490 PolarHBondContact O-N 3.5Å; R490-R493 PolarHBondContact O-N 2.88Å; R490-R494 WeakPolarHBondContact O-CG 3.17Å; R490-R494 PolarHBondContact O-N 3.3Å
491E83.9Confident79.6Confident112 Ų112110.6 Ų110.652%0.52354%0.538SS..Hα-helixtrans-67.2-42175-143.760.6-111.100112.4A487 F488 E489 R493 R494 H495A487-E491 PolarHBondContact O-N 3.38Å; F488-E491 PolarHBondContact O-N 2.91Å; E489-E491 VanDerWaalsContact C-N 3.29Å; E489-E491 PolarHBondContact O-N 2.95Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 2.98Å; E491-R494 WeakPolarHBondContact O-CB 3.49Å; E491-R494 PolarHBondContact O-N 3.02Å; E491-R494 WeakPolarHBondContact OE1-CD 3.46Å; E491-H495 WeakPolarHBondContact O-CB 3.38Å; E491-H495 PolarHBondContact O-N 3.05Å
492L81.2Confident77.9Confident97 Ų97109.3 Ų109.351%0.50853%0.529SS..Hα-helixtrans-61.7-38.2172.4-80.7167.5000112.5F488 E489 K496F488-L492 HydrophobicContact CD1-CD1 3.91Å; F488-L492 HydrophobicContact CE1-CD1 3.56Å; F488-L492 HydrophobicContact CE1-CG 4.31Å; F488-L492 HydrophobicContact CZ-CD1 4.11Å; F488-L492 HydrophobicContact CZ-CG 4.43Å; F488-L492 PolarHBondContact O-N 3.11Å; E489-L492 PolarHBondContact O-N 3.06Å; L492-K496 VanDerWaalsContact O-CB 3.3Å; L492-K496 WeakPolarHBondContact O-CB 3.33Å; L492-K496 PolarHBondContact O-N 2.99Å
493R85.4Confident76.1Confident158 Ų158107.7 Ų107.760%0.59653%0.529SS*.Hα-helixtrans-68-41.3175.2-68.8169.6-160.5-159.48.6111.1E489 R490 E491 K496 V497E489-R493 WeakPolarHBondContact O-CB 3.18Å; E489-R493 VanDerWaalsContact O-CG 3.22Å; E489-R493 WeakPolarHBondContact O-CG 3.37Å; E489-R493 PolarHBondContact O-N 3.22Å; E489-R493 IonicContact OE2-CZ 2.71Å; E489-R493 IonicContact OE2-NE 2.68Å; E489-R493 IonicContact OE2-NH2 3.33Å; E489-R493 PolarHBondContact OE2-NH2 3.47Å; R490-R493 PolarHBondContact O-N 2.88Å; E491-R493 VanDerWaalsContact C-N 3.32Å; E491-R493 PolarHBondContact O-N 2.98Å; R493-K496 PolarHBondContact O-N 3.17Å; R493-V497 WeakPolarHBondContact O-CG2 3.41Å; R493-V497 PolarHBondContact O-N 2.86Å
494R76.8Confident74.1Confident172 Ų172111.9 Ų111.965%0.64954%0.542SS*.Hα-helixtrans-59.6-51.4172.5-75.2171.5176.4-130-4.7111.5R490 E491 K496 V497 Q498R490-R494 WeakPolarHBondContact O-CG 3.17Å; R490-R494 PolarHBondContact O-N 3.3Å; E491-R494 WeakPolarHBondContact O-CB 3.49Å; E491-R494 PolarHBondContact O-N 3.02Å; E491-R494 WeakPolarHBondContact OE1-CD 3.46Å; R494-K496 VanDerWaalsContact C-N 3.3Å; R494-K496 PolarHBondContact O-N 3.47Å; R494-V497 PolarHBondContact O-N 2.9Å; R494-V497 VanDerWaalsContact O-N 3.15Å; R494-Q498 PolarHBondContact O-N 3.43Å
495H71.9Confident72.2Confident114 Ų114113.7 Ų113.753%0.52854%0.544SS..Hα-helixtrans-59.8-39.7178-164.8-75000112.1E491 Q498 E499E491-H495 WeakPolarHBondContact O-CB 3.38Å; E491-H495 PolarHBondContact O-N 3.05Å; H495-Q498 WeakPolarHBondContact O-CB 3.19Å; H495-Q498 PolarHBondContact O-N 3.47Å; H495-E499 IonicContact CE1-OE1 3.68Å; H495-E499 PolarHBondContact CE1-OE1 3.42Å; H495-E499 IonicContact ND1-OE1 2.83Å; H495-E499 IonicContact ND1-OE2 3.46Å; H495-E499 PolarHBondContact ND1-OE2 3.02Å; H495-E499 WeakPolarHBondContact O-CG 3.44Å; H495-E499 PolarHBondContact O-N 3.32Å
496K74Confident70.6Confident137 Ų137113.9 Ų113.960%0.59654%0.541SS*.Hα-helixtrans-71.6-27.8177.8-171.4161.8-178.3170.10113.9L492 R493 R494 N500L492-K496 VanDerWaalsContact O-CB 3.3Å; L492-K496 WeakPolarHBondContact O-CB 3.33Å; L492-K496 PolarHBondContact O-N 2.99Å; R493-K496 PolarHBondContact O-N 3.17Å; R494-K496 VanDerWaalsContact C-N 3.3Å; R494-K496 PolarHBondContact O-N 3.47Å; K496-N500 VanDerWaalsContact O-CG 3.28Å; K496-N500 PolarHBondContact O-N 3.17Å; K496-N500 PolarHBondContact O-ND2 2.89Å
497V68.9Low68.6Low84 Ų84114.8 Ų114.851%0.50955%0.545SS..Hα-helixtrans-71.1-41.1167.8169.90000110.2R493 R494 E499 N500 I501R493-V497 WeakPolarHBondContact O-CG2 3.41Å; R493-V497 PolarHBondContact O-N 2.86Å; R494-V497 PolarHBondContact O-N 2.9Å; R494-V497 VanDerWaalsContact O-N 3.15Å; V497-E499 PolarHBondContact O-N 3.37Å; V497-N500 PolarHBondContact O-N 3.03Å; V497-N500 VanDerWaalsContact O-N 3.08Å; V497-I501 HydrophobicContact CG1-CD1 3.89Å; V497-I501 WeakPolarHBondContact O-CG1 3.33Å; V497-I501 PolarHBondContact O-N 3.4Å
498Q60Low66.9Low134 Ų134119.2 Ų119.263%0.62656%0.559SS**Hα-helixtrans-59.6-43.2174.5-155.976.68.700111.9R494 H495 N500 I501 G502R494-Q498 PolarHBondContact O-N 3.43Å; H495-Q498 WeakPolarHBondContact O-CB 3.19Å; H495-Q498 PolarHBondContact O-N 3.47Å; Q498-N500 PolarHBondContact O-N 3.41Å; Q498-I501 PolarHBondContact O-N 3.37Å; Q498-I501 VanDerWaalsContact O-N 3.1Å; Q498-G502 PolarHBondContact O-N 3.36Å
499E61.4Low65.1Low116 Ų116119.3 Ų119.354%0.54256%0.559SS.*Hα-helixtrans-65.2-20.4174.9-77.2176.3140.700113.9H495 V497 P503H495-E499 IonicContact CE1-OE1 3.68Å; H495-E499 PolarHBondContact CE1-OE1 3.42Å; H495-E499 IonicContact ND1-OE1 2.83Å; H495-E499 IonicContact ND1-OE2 3.46Å; H495-E499 PolarHBondContact ND1-OE2 3.02Å; H495-E499 WeakPolarHBondContact O-CG 3.44Å; H495-E499 PolarHBondContact O-N 3.32Å; V497-E499 PolarHBondContact O-N 3.37Å; E499-P503 WeakPolarHBondContact O-CD 3.49Å; E499-P503 WeakPolarHBondContact O-CG 3.46Å
500N58.1Low63.2Low123 Ų123120.2 Ų120.266%0.65856%0.563SS**Hα-helixtrans-87.2-19.9172.5-68.8-22.8000112.8K496 V497 Q498K496-N500 VanDerWaalsContact O-CG 3.28Å; K496-N500 PolarHBondContact O-N 3.17Å; K496-N500 PolarHBondContact O-ND2 2.89Å; V497-N500 PolarHBondContact O-N 3.03Å; V497-N500 VanDerWaalsContact O-N 3.08Å; Q498-N500 PolarHBondContact O-N 3.41Å
501I57.2Low61.7Low105 Ų105119.6 Ų119.654%0.53857%0.566SS.*Hα-helixtrans-91.6-34.2178.4-65.5165.7000111V497 Q498 P503V497-I501 HydrophobicContact CG1-CD1 3.89Å; V497-I501 WeakPolarHBondContact O-CG1 3.33Å; V497-I501 PolarHBondContact O-N 3.4Å; Q498-I501 PolarHBondContact O-N 3.37Å; Q498-I501 VanDerWaalsContact O-N 3.1Å; I501-P503 VanDerWaalsContact C-CD 3.41Å
502G49.8Very low60.2Low28 Ų28120.3 Ų120.329%0.28957%0.569SS.*THydrogen-bonded Turntrans-55.6-40.7178.900000117.2Q498 L504 R505 I506Q498-G502 PolarHBondContact O-N 3.36Å; G502-L504 VanDerWaalsContact C-N 3.3Å; G502-L504 PolarHBondContact O-N 2.81Å; G502-R505 PolarHBondContact O-N 3.42Å; G502-I506 WeakPolarHBondContact O-CG1 3.29Å
503P54Low58.6Low77 Ų77119.3 Ų119.350%0.557%0.567SS.*THydrogen-bonded Turntrans-62.3-35.2-170.3-25.435000113.8E499 I501 R505E499-P503 WeakPolarHBondContact O-CD 3.49Å; E499-P503 WeakPolarHBondContact O-CG 3.46Å; I501-P503 VanDerWaalsContact C-CD 3.41Å; P503-R505 VanDerWaalsContact C-N 3.3Å; P503-R505 PolarHBondContact O-N 2.95Å
504L50.2Low57.2Low145 Ų145117.3 Ų117.376%0.75957%0.565SS**Hα-helixtrans-69.7-28-175.3-160.968.1000112.6G502G502-L504 VanDerWaalsContact C-N 3.3Å; G502-L504 PolarHBondContact O-N 2.81Å
505R46.5Very low56.2Low200 Ų200115.7 Ų115.776%0.75556%0.562SS**Hα-helixtrans-98.21.3-174.7-144.8-178.1-167.7-173.25114.4G502 P503G502-R505 PolarHBondContact O-N 3.42Å; P503-R505 VanDerWaalsContact C-N 3.3Å; P503-R505 PolarHBondContact O-N 2.95Å
506I55.2Low55.4Low91 Ų91116.2 Ų116.247%0.46757%0.568SS.*Hα-helixtrans-101-40.8176.6-65.8169.8000109.9G502 E508 K509 E510G502-I506 WeakPolarHBondContact O-CG1 3.29Å; I506-E508 VanDerWaalsContact C-N 3.27Å; I506-E508 PolarHBondContact O-N 2.97Å; I506-K509 PolarHBondContact O-N 3.14Å; I506-E510 HydrophobicContact CG2-CG 4.1Å; I506-E510 PolarHBondContact O-N 3.44Å; I506-E510 VanDerWaalsContact O-N 3.09Å
507H50.6Low54.1Low122 Ų122119 Ų11957%0.56558%0.576SS**Hα-helixtrans-57.3-37.5-179.3-139.2-69000113K509 E511H507-K509 VanDerWaalsContact C-N 3.26Å; H507-K509 PolarHBondContact O-N 2.96Å; H507-E511 IonicContact ND1-OE1 2.64Å; H507-E511 PolarHBondContact O-N 2.87Å
508E52.9Low53.3Low133 Ų133123.8 Ų123.862%0.62159%0.585SS**Hα-helixtrans-61.4-31.3175.5-63.1178.8139.500112.9I506I506-E508 VanDerWaalsContact C-N 3.27Å; I506-E508 PolarHBondContact O-N 2.97Å
509K51Low52.7Low140 Ų140120.5 Ų120.561%0.60959%0.587SS**Hα-helixtrans-91.9-33.7-176.1-68.2-168.2170.1-164.60113.5I506 H507 E511 E512 T513I506-K509 PolarHBondContact O-N 3.14Å; H507-K509 VanDerWaalsContact C-N 3.26Å; H507-K509 PolarHBondContact O-N 2.96Å; K509-E511 VanDerWaalsContact C-N 3.29Å; K509-E511 PolarHBondContact O-N 3.23Å; K509-E512 PolarHBondContact O-N 3.37Å; K509-T513 PolarHBondContact O-N 3.27Å; K509-T513 PolarHBondContact O-OG1 2.86Å
510E52.2Low51.9Low117 Ų117123.5 Ų123.555%0.54760%0.601SS.*Hα-helixtrans-63.6-39.6175.5-68.8-176.914500110.4I506 E512 T513 E514I506-E510 HydrophobicContact CG2-CG 4.1Å; I506-E510 PolarHBondContact O-N 3.44Å; I506-E510 VanDerWaalsContact O-N 3.09Å; E510-E512 VanDerWaalsContact C-N 3.3Å; E510-E512 PolarHBondContact O-N 3.34Å; E510-T513 PolarHBondContact O-N 2.99Å; E510-T513 PolarHBondContact O-OG1 2.98Å; E510-E514 PolarHBondContact O-N 3.01Å
511E53.8Low50.9Low106 Ų106122 Ų12250%0.49561%0.606SS.*Hα-helixtrans-64.6-22.9174.8-82.2-162.2-141.400115.5H507 K509 K515H507-E511 IonicContact ND1-OE1 2.64Å; H507-E511 PolarHBondContact O-N 2.87Å; K509-E511 VanDerWaalsContact C-N 3.29Å; K509-E511 PolarHBondContact O-N 3.23Å; E511-K515 WeakPolarHBondContact O-CD 3.41Å; E511-K515 VanDerWaalsContact O-CE 3.25Å; E511-K515 WeakPolarHBondContact O-CE 3.5Å; E511-K515 WeakPolarHBondContact O-CG 3.41Å; E511-K515 PolarHBondContact O-NZ 3.14Å; E511-K515 IonicContact OE2-NZ 2.75Å
512E53.7Low50.4Low127 Ų127122.9 Ų122.959%0.59362%0.616SS**Hα-helixtrans-78.3-43.4171.5-68.3-174.8137.300110.6K509 E510 K515K509-E512 PolarHBondContact O-N 3.37Å; E510-E512 VanDerWaalsContact C-N 3.3Å; E510-E512 PolarHBondContact O-N 3.34Å; E512-K515 PolarHBondContact O-N 3.48Å
513T47.9Very low50Low77 Ų77128.4 Ų128.447%0.47264%0.638SS.*Hα-helixtrans-70-34-177.158.90000114.1K509 E510 K515 I516 Y517K509-T513 PolarHBondContact O-N 3.27Å; K509-T513 PolarHBondContact O-OG1 2.86Å; E510-T513 PolarHBondContact O-N 2.99Å; E510-T513 PolarHBondContact O-OG1 2.98Å; T513-K515 PolarHBondContact O-N 3.11Å; T513-I516 PolarHBondContact O-N 3.19Å; T513-Y517 PolarHBondContact O-N 3.06Å
514E55.3Low49.2Very low116 Ų116133.6 Ų133.654%0.54265%0.652SS.*Hα-helixtrans-62.1-29.6172.9-89.2-136.2165.700113.3E510 R518E510-E514 PolarHBondContact O-N 3.01Å; E514-R518 IonicContact OE2-CZ 2.71Å; E514-R518 IonicContact OE2-NH1 3.3Å; E514-R518 IonicContact OE2-NH2 2.89Å; E514-R518 PolarHBondContact OE2-NH2 2.83Å
515K55.8Low48.2Very low137 Ų137135.9 Ų135.960%0.59666%0.659SS**Hα-helixtrans-74.8-32.7-178.9-67.1169.1-174.5121.90111.3E511 E512 T513E511-K515 WeakPolarHBondContact O-CD 3.41Å; E511-K515 VanDerWaalsContact O-CE 3.25Å; E511-K515 WeakPolarHBondContact O-CE 3.5Å; E511-K515 WeakPolarHBondContact O-CG 3.41Å; E511-K515 PolarHBondContact O-NZ 3.14Å; E511-K515 IonicContact OE2-NZ 2.75Å; E512-K515 PolarHBondContact O-N 3.48Å; T513-K515 PolarHBondContact O-N 3.11Å
516I54.6Low47.5Very low126 Ų126132.7 Ų132.765%0.64666%0.662SS**Hα-helixtrans-72.2-50.5177.5-62169.1000110.5T513 R518 G519T513-I516 PolarHBondContact O-N 3.19Å; I516-R518 PolarHBondContact O-N 3.08Å; I516-R518 VanDerWaalsContact O-N 3.12Å; I516-G519 PolarHBondContact O-N 2.89Å; I516-G519 VanDerWaalsContact O-N 3.12Å
517Y47.9Very low47Very low196 Ų196133.9 Ų133.977%0.76968%0.676SS**Hα-helixtrans-65.5-17.2-175.6-93.6-76000115.4T513T513-Y517 PolarHBondContact O-N 3.06Å
518R51.7Low46Very low184 Ų184136.7 Ų136.769%0.69469%0.689SS**THydrogen-bonded Turntrans-82.6-8.4175.2-103.9-167.2-71.6-94-5.4114.7E514 I516E514-R518 IonicContact OE2-CZ 2.71Å; E514-R518 IonicContact OE2-NH1 3.3Å; E514-R518 IonicContact OE2-NH2 2.89Å; E514-R518 PolarHBondContact OE2-NH2 2.83Å; I516-R518 PolarHBondContact O-N 3.08Å; I516-R518 VanDerWaalsContact O-N 3.12Å
519G47.6Very low44.7Very low64 Ų64134.5 Ų134.566%0.6669%0.687SS**SBendtrans-83.9-29.3-176.400000115.8I516I516-G519 PolarHBondContact O-N 2.89Å; I516-G519 VanDerWaalsContact O-N 3.12Å
520E43.5Very low43.8Very low180 Ų180133.4 Ų133.484%0.84170%0.697SS**SBendtrans-106.6-10.4-159-154165.8-146.800114.6V522E520-V522 PolarHBondContact O-N 3.01Å
521A36.8Very low43Very low92 Ų92135.3 Ų135.376%0.7671%0.706SS**  trans-83.634.7-173.200000115
522V47.5Very low42.1Very low123 Ų123136 Ų13675%0.74572%0.72SS**  trans-124.384-178.7-174.30000111.3E520E520-V522 PolarHBondContact O-N 3.01Å
523L40.9Very low40.9Very low144 Ų144141 Ų14175%0.75473%0.733SS**SBendtrans-175.3116.5146.6-102.3161.5000111.4
524K36.8Very low40.3Very low185 Ų185147 Ų14780%0.80475%0.753SS**  trans52.3105.9156-59.5168-176.41750118.7
525E29.4Very low39.2Very low194 Ų194148.2 Ų148.291%0.90776%0.762SS**  -165.8142.1104.1-108.9176.1-159.800113.7
526T33.1Very low38.2Very low133 Ų133150.3 Ų150.382%0.81677%0.767SS**  trans-164.9156.5176.4510000106.5
527P44.4Very low37.6Very low116 Ų116150.5 Ų150.575%0.75378%0.78SS**  cis-127.6-168.217.932-7.4000111
528E29.5Very low37.1Very low180 Ų180151.3 Ų151.384%0.84178%0.781SS**  cis-165.7175.730.8-100-154.9-168.700107
529C24.9Very low36.6Very low87 Ų87151.7 Ų151.759%0.58879%0.788SS**  cis-163.9134.5-22.5172.60000107.8
530S33.3Very low35.9Very low117 Ų117155.1 Ų155.182%0.81880%0.797SS**  trans-159.1123.415150.30000109.1
531Q34.3Very low35.8Very low157 Ų157151.9 Ų151.973%0.73479%0.789SS**  trans-93.8138.1-167.4-65.2-165.9700113.5W533Q531-W533 PolarHBondContact O-N 3.17Å
532P35.1Very low35.6Very low120 Ų120154 Ų15478%0.77979%0.793SS**  trans-65.3123.6158.3-13.328.3000109.7K534P532-K534 PolarHBondContact O-N 2.88Å; P532-K534 VanDerWaalsContact O-N 3.1Å
533W27.9Very low35.1Very low232 Ų232155.9 Ų155.988%0.87979%0.793SS**  trans-65109.5-179.6-76.59.4000112.2Q531 I535Q531-W533 PolarHBondContact O-N 3.17Å; W533-I535 PolarHBondContact O-N 2.93Å
534K36.8Very low34.8Very low204 Ų204154 Ų15489%0.88779%0.792SS**  trans-76.196.3164.4-75.1-175176.2178.50110P532 Y536P532-K534 PolarHBondContact O-N 2.88Å; P532-K534 VanDerWaalsContact O-N 3.1Å; K534-Y536 PolarHBondContact O-N 3.14Å; K534-Y536 VanDerWaalsContact O-N 3.07Å
535I32.1Very low35.1Very low141 Ų141150.5 Ų150.572%0.72379%0.789SS**  trans-75.898.9174.3-60.7-178.3000110.2W533W533-I535 PolarHBondContact O-N 2.93Å
536Y33.2Very low35.2Very low181 Ų181153 Ų15371%0.7179%0.79SS**  trans18.699.6153.3-59.6-81.5000119.4K534 R538K534-Y536 PolarHBondContact O-N 3.14Å; K534-Y536 VanDerWaalsContact O-N 3.07Å; Y536-R538 HydrophobicContact CD1-CG 4.31Å; Y536-R538 PolarHBondContact O-N 3.33Å
537S43.8Very low35Very low131 Ų131150.8 Ų150.892%0.91679%0.793SS**  trans-77.260.7148.450.50000111.1
538R35.7Very low34.4Very low212 Ų212149 Ų14980%0.880%0.795SS**  trans-84123.3176.1-108.1-174.6175.5-173.5-1111.2Y536Y536-R538 HydrophobicContact CD1-CG 4.31Å; Y536-R538 PolarHBondContact O-N 3.33Å
539K42.2Very low34.7Very low193 Ų193147.6 Ų147.684%0.83979%0.793SS**  trans-67.2136.1173.6-55.4170.9-176.4176.60110.2
540T33.4Very low35.3Very low136 Ų136149.2 Ų149.283%0.83480%0.802SS**  trans-107.194.2157.643.80000109.3
541T40.9Very low35.7Very low111 Ų111152.6 Ų152.668%0.68180%0.802SS**  trans-77122.3165.5-61.10000108.7Q543T541-Q543 HydrophobicContact CG2-CG 3.91Å
542T31.7Very low36Very low136 Ų136149.3 Ų149.383%0.83480%0.795SS**  trans-117.5105.6162.5-460000108
543Q36.9Very low36.5Very low163 Ų163152 Ų15276%0.76280%0.802SS**  trans-93.6159.7172.3-78.2-175.3-4.500110.9T541T541-Q543 HydrophobicContact CG2-CG 3.91Å
544S36.1Very low37.1Very low105 Ų105148.9 Ų148.973%0.73480%0.795SS**  trans72.1162.6159.7-97.50000117.6
545P41.8Very low37.1Very low112 Ų112143.6 Ų143.673%0.72779%0.79SS**  cis-123.8155.42.838.2-23.9000117.1
546R31.5Very low37.5Very low247 Ų247143.2 Ų143.293%0.93279%0.793SS**  trans26.6122.9141.9-59.1-178.1177.6-145.5-2.1119.9
547G29.5Very low38.2Very low85 Ų85140.2 Ų140.288%0.87680%0.796SS**  trans168.284.7164.300000110.8
548G32.1Very low38.6Very low78 Ų78139.1 Ų139.180%0.80478%0.778SS**  cis110.544.425.300000111.5
549L34.8Very low39.6Very low152 Ų152138.8 Ų138.880%0.79678%0.782SS**  trans-147.5118.8175.2-102.5170.1000109.1K551L549-K551 PolarHBondContact O-N 3.17Å
550P38Very low40.4Very low121 Ų121132.5 Ų132.579%0.78676%0.76SS**  trans-71.9110.317529.2-32.3000109.1
551K42.6Very low41.9Very low188 Ų188129 Ų12982%0.81774%0.741SS**  trans-77.9122.8164.2-73.8-177.6178.6175.60106.9L549L549-K551 PolarHBondContact O-N 3.17Å
552P39.5Very low43.3Very low88 Ų88128.5 Ų128.557%0.57173%0.731SS**  trans-72.2177.3-165.530.2-37.4000111.8K554P552-K554 HydrophobicContact CG-CG 4.26Å; P552-K554 PolarHBondContact O-N 3.12Å
553N45.4Very low44.9Very low176 Ų176126.2 Ų126.294%0.94171%0.711SS**  trans-45.6103.3161.6-67.3-15.2000109.3
554K40.2Very low46.4Very low166 Ų166120.3 Ų120.372%0.72269%0.687SS**  trans-116.8125.5175.2-77.2-171.2173-1650107.3P552P552-K554 HydrophobicContact CG-CG 4.26Å; P552-K554 PolarHBondContact O-N 3.12Å
555A38.1Very low48.3Very low94 Ų94118.8 Ų118.878%0.77767%0.67SS**  trans-50.8155.7174.600000110.7P557A555-P557 VanDerWaalsContact O-N 3.13Å
556V40.3Very low49.9Very low132 Ų132114 Ų11480%0.864%0.639SS**SBendtrans-38121176.4177.30000109.1M558V556-M558 PolarHBondContact O-N 3.48Å
557P47.4Very low51.9Low119 Ų119104.8 Ų104.877%0.77361%0.611SS**  trans-63.799-171.924-33.3000109.2A555 K559A555-P557 VanDerWaalsContact O-N 3.13Å; P557-K559 PolarHBondContact O-N 3.43Å; P557-K559 VanDerWaalsContact O-N 3.11Å
558M52.8Low53.9Low108 Ų108102.8 Ų102.853%0.53258%0.58SS.*  trans-57.7118.1-172.9-174.8162.6166.300108.4V556 V560 L568V556-M558 PolarHBondContact O-N 3.48Å; M558-V560 HydrophobicContact CG-CG2 4.38Å; M558-V560 PolarHBondContact O-N 3.4Å; M558-L568 HydrophobicContact CE-CB 3.95Å; M558-L568 HydrophobicContact CE-CD1 3.88Å; M558-L568 HydrophobicContact CE-CD2 3.89Å; M558-L568 HydrophobicContact CE-CG 4.12Å
559K57.3Low55.7Low204 Ų204103.4 Ų103.489%0.88756%0.563SS**  trans-80.264-167.4-162.9178.1-177.1-178.50110.6P557 S561P557-K559 PolarHBondContact O-N 3.43Å; P557-K559 VanDerWaalsContact O-N 3.11Å; K559-S561 PolarHBondContact O-N 2.89Å
560V57.5Low57.4Low62 Ų6299.6 Ų99.638%0.37654%0.543SS..  trans-56.9110.3178.1177.50000108.6M558 L565 L568M558-V560 HydrophobicContact CG-CG2 4.38Å; M558-V560 PolarHBondContact O-N 3.4Å; V560-L565 HydrophobicContact CG1-CB 3.61Å; V560-L565 HydrophobicContact CG1-CD1 3.99Å; V560-L565 HydrophobicContact CG1-CG 4.36Å; V560-L565 HydrophobicContact CG2-CD1 4.32Å; V560-L568 HydrophobicContact CG2-CD1 4.31Å
561S66Low59Low61 Ų61100.8 Ų100.843%0.42754%0.538SS..  trans-68.7162.5174.7100.90000110.7K559 H563 S564K559-S561 PolarHBondContact O-N 2.89Å; S561-H563 PolarHBondContact O-N 2.98Å; S561-H563 PolarHBondContact OG-N 3.16Å; S561-S564 WeakPolarHBondContact CB-OG 3.48Å; S561-S564 PolarHBondContact O-N 2.83Å; S561-S564 WeakPolarHBondContact OG-CB 3.4Å; S561-S564 PolarHBondContact OG-N 3.35Å; S561-S564 PolarHBondContact OG-OG 3.49Å
562E68.8Low60.4Low102 Ų10298 Ų9848%0.47753%0.528SS..THydrogen-bonded Turntrans-48.5-33.4-177.4-54.6-170.2139.100113.5Q590 V594 K598E562-Q590 PolarHBondContact O-NE2 3.24Å; E562-V594 HydrophobicContact CB-CG1 4.06Å; E562-V594 WeakPolarHBondContact O-CG2 3.36Å; E562-K598 WeakPolarHBondContact OE1-CE 3.41Å; E562-K598 IonicContact OE1-NZ 3.66Å; E562-K598 PolarHBondContact OE1-NZ 2.88Å; E562-K598 VanDerWaalsContact OE2-CE 3.29Å; E562-K598 WeakPolarHBondContact OE2-CE 3.29Å; E562-K598 IonicContact OE2-NZ 3.45Å; E562-K598 PolarHBondContact OE2-NZ 3.46Å
563H65.6Low61.9Low88 Ų8899.4 Ų99.441%0.40753%0.525SS..THydrogen-bonded Turntrans-1143.4179-60.5-59.9000114.3S561 P567 Q590S561-H563 PolarHBondContact O-N 2.98Å; S561-H563 PolarHBondContact OG-N 3.16Å; H563-P567 WeakPolarHBondContact O-CD 3.18Å; H563-Q590 PolarHBondContact O-NE2 3.24Å
564S68.8Low62.6Low39 Ų3995.8 Ų95.827%0.27351%0.511SS..THydrogen-bonded Turntrans-93.2-6.2-174.5-60.20000116.4S561 P567 L568S561-S564 WeakPolarHBondContact CB-OG 3.48Å; S561-S564 PolarHBondContact O-N 2.83Å; S561-S564 WeakPolarHBondContact OG-CB 3.4Å; S561-S564 PolarHBondContact OG-N 3.35Å; S561-S564 PolarHBondContact OG-OG 3.49Å; S564-P567 WeakPolarHBondContact O-CD 3.37Å; S564-L568 VanDerWaalsContact O-CB 3.28Å; S564-L568 WeakPolarHBondContact O-CB 3.11Å; S564-L568 WeakPolarHBondContact O-CD1 3.4Å; S564-L568 WeakPolarHBondContact O-CG 3.32Å; S564-L568 PolarHBondContact O-N 2.88Å
565L76.8Confident63.5Low72 Ų7296.7 Ų96.738%0.37752%0.516SS..Hα-helixtrans-60.2-54.3-177.6-175.460.7000112.3V560 L568 M569 Q590V560-L565 HydrophobicContact CG1-CB 3.61Å; V560-L565 HydrophobicContact CG1-CD1 3.99Å; V560-L565 HydrophobicContact CG1-CG 4.36Å; V560-L565 HydrophobicContact CG2-CD1 4.32Å; L565-L568 PolarHBondContact O-N 2.91Å; L565-M569 HydrophobicContact CD1-CG 4.35Å; L565-M569 WeakPolarHBondContact O-CG 3.29Å; L565-M569 PolarHBondContact O-N 3.15Å; L565-Q590 HydrophobicContact CB-CG 4.3Å
566L73.9Confident64.9Low12 Ų1297.4 Ų97.46%0.06351%0.506CS..Hα-helixtrans-64.6-44.3-179.1-14972.3000113.6L568 M569 L570 L583 M586 W587L566-L568 PolarHBondContact O-N 3.39Å; L566-M569 PolarHBondContact O-N 3.46Å; L566-L570 WeakPolarHBondContact O-CG 3.43Å; L566-L570 PolarHBondContact O-N 3.38Å; L566-L583 HydrophobicContact CD2-CD1 3.52Å; L566-L583 HydrophobicContact CD2-CG 3.81Å; L566-L583 HydrophobicContact CG-CD1 4.1Å; L566-M586 HydrophobicContact CD1-CB 3.54Å; L566-M586 HydrophobicContact CD1-CE 3.7Å; L566-M586 HydrophobicContact CD1-CG 4.4Å; L566-M586 HydrophobicContact CD1-SD 4.09Å; L566-M586 HydrophobicContact CD2-CB 4.12Å; L566-W587 HydrophobicContact CB-CE3 3.9Å; L566-W587 HydrophobicContact CB-CZ3 4.15Å; L566-W587 HydrophobicContact CD2-CB 4.17Å; L566-W587 HydrophobicContact CD2-CE3 3.78Å; L566-W587 HydrophobicContact CG-CE3 4.48Å
567P73.5Confident65.9Low54 Ų54102.2 Ų102.235%0.35151%0.511SS..Hα-helixtrans-57.6-45.4174.4-27.336.7000113.3H563 S564 M569 L570 E571 W587H563-P567 WeakPolarHBondContact O-CD 3.18Å; S564-P567 WeakPolarHBondContact O-CD 3.37Å; P567-M569 VanDerWaalsContact C-N 3.28Å; P567-M569 PolarHBondContact O-N 3.49Å; P567-L570 PolarHBondContact O-N 2.86Å; P567-L570 VanDerWaalsContact O-N 3.08Å; P567-E571 WeakPolarHBondContact O-CB 3.26Å; P567-E571 PolarHBondContact O-N 2.97Å; P567-W587 HydrophobicContact CG-CH2 4.2Å; P567-W587 HydrophobicContact CG-CZ3 3.87Å
568L73.3Confident67Low42 Ų4298.8 Ų98.822%0.2249%0.488CS..Hα-helixtrans-66.1-30.8178.2-68167000112.1M558 V560 S564 L565 L566 Q572M558-L568 HydrophobicContact CE-CB 3.95Å; M558-L568 HydrophobicContact CE-CD1 3.88Å; M558-L568 HydrophobicContact CE-CD2 3.89Å; M558-L568 HydrophobicContact CE-CG 4.12Å; V560-L568 HydrophobicContact CG2-CD1 4.31Å; S564-L568 VanDerWaalsContact O-CB 3.28Å; S564-L568 WeakPolarHBondContact O-CB 3.11Å; S564-L568 WeakPolarHBondContact O-CD1 3.4Å; S564-L568 WeakPolarHBondContact O-CG 3.32Å; S564-L568 PolarHBondContact O-N 2.88Å; L565-L568 PolarHBondContact O-N 2.91Å; L566-L568 PolarHBondContact O-N 3.39Å; L568-Q572 WeakPolarHBondContact O-CB 3.47Å; L568-Q572 WeakPolarHBondContact O-CG 3.38Å; L568-Q572 PolarHBondContact O-N 3.37Å; L568-Q572 VanDerWaalsContact O-N 3.15Å
569M68.9Low68.1Low91 Ų9197 Ų9745%0.44849%0.486SS..Hα-helixtrans-73.9-22.4172.5-71.9-146.174.300114L565 L566 P567 F573L565-M569 HydrophobicContact CD1-CG 4.35Å; L565-M569 WeakPolarHBondContact O-CG 3.29Å; L565-M569 PolarHBondContact O-N 3.15Å; L566-M569 PolarHBondContact O-N 3.46Å; P567-M569 VanDerWaalsContact C-N 3.28Å; P567-M569 PolarHBondContact O-N 3.49Å; M569-F573 HydrophobicContact CE-CE2 4.38Å; M569-F573 WeakPolarHBondContact O-CD2 3.39Å
570L70.9Confident69.1Low73 Ų7389.3 Ų89.338%0.38247%0.465SS..Hα-helixtrans-79.9-43.7170.6-65.4172000111L566 P567 Q572 F573 V578 L583L566-L570 WeakPolarHBondContact O-CG 3.43Å; L566-L570 PolarHBondContact O-N 3.38Å; P567-L570 PolarHBondContact O-N 2.86Å; P567-L570 VanDerWaalsContact O-N 3.08Å; L570-Q572 VanDerWaalsContact C-N 3.31Å; L570-Q572 PolarHBondContact O-N 2.98Å; L570-F573 CarbonylContact O-C 3.56Å; L570-F573 PolarHBondContact O-N 2.84Å; L570-F573 VanDerWaalsContact O-N 3.08Å; L570-V578 HydrophobicContact CD2-CG2 4.15Å; L570-L583 HydrophobicContact CD1-CD1 4.03Å; L570-L583 HydrophobicContact CD2-CD1 3.97Å; L570-L583 HydrophobicContact CG-CD1 4.38Å
571E71.8Confident70.1Confident146 Ų14691 Ų9168%0.68248%0.477SS*.Hα-helixtrans-60.8-37.2179.9-172178-176.400112.7P567 F573P567-E571 WeakPolarHBondContact O-CB 3.26Å; P567-E571 PolarHBondContact O-N 2.97Å; E571-F573 VanDerWaalsContact C-N 3.29Å; E571-F573 PolarHBondContact O-N 2.75Å
572Q71.5Confident70.7Confident130 Ų13091.1 Ų91.161%0.60748%0.475SS*.THydrogen-bonded Turntrans-71.5-17.2175.9-69.8-82.3-5500114L568 L570L568-Q572 WeakPolarHBondContact O-CB 3.47Å; L568-Q572 WeakPolarHBondContact O-CG 3.38Å; L568-Q572 PolarHBondContact O-N 3.37Å; L568-Q572 VanDerWaalsContact O-N 3.15Å; L570-Q572 VanDerWaalsContact C-N 3.31Å; L570-Q572 PolarHBondContact O-N 2.98Å
573F70.4Confident71.2Confident117 Ų11788.9 Ų88.951%0.51347%0.466SS..  trans-135.365.1-174.2-64-70.4000112.3M569 L570 E571 F575 L576M569-F573 HydrophobicContact CE-CE2 4.38Å; M569-F573 WeakPolarHBondContact O-CD2 3.39Å; L570-F573 CarbonylContact O-C 3.56Å; L570-F573 PolarHBondContact O-N 2.84Å; L570-F573 VanDerWaalsContact O-N 3.08Å; E571-F573 VanDerWaalsContact C-N 3.29Å; E571-F573 PolarHBondContact O-N 2.75Å; F573-F575 PolarHBondContact O-N 3.05Å; F573-L576 HydrophobicContact CB-CB 4Å; F573-L576 HydrophobicContact CB-CD2 4.42Å; F573-L576 VanDerWaalsContact O-CB 3.31Å; F573-L576 WeakPolarHBondContact O-CB 3.35Å; F573-L576 PolarHBondContact O-N 3.05Å
574P61.3Low72Confident99 Ų9987.8 Ų87.864%0.64347%0.469SS*.THydrogen-bonded Turntrans-64.6-10.9-169.525.6-36.1000115.9
575F57.6Low72.8Confident185 Ų18592.9 Ų92.981%0.81149%0.486SS*.THydrogen-bonded Turntrans-99.31.8175.7-55.4-65.6000113.6F573 Y577F573-F575 PolarHBondContact O-N 3.05Å; F575-Y577 PolarHBondContact O-N 3.09Å
576L68.3Low73Confident110 Ų11093 Ų9358%0.57649%0.486SS*.  trans-86.794.4-177.2-171.372.8000111.5F573 V578F573-L576 HydrophobicContact CB-CB 4Å; F573-L576 HydrophobicContact CB-CD2 4.42Å; F573-L576 VanDerWaalsContact O-CB 3.31Å; F573-L576 WeakPolarHBondContact O-CB 3.35Å; F573-L576 PolarHBondContact O-N 3.05Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V578 HydrophobicContact CD2-CG2 3.79Å; L576-V578 HydrophobicContact CG-CG2 3.89Å; L576-V578 PolarHBondContact O-N 2.9Å
577Y61.7Low73.4Confident232 Ų23297.5 Ų97.591%0.9150%0.502SS*.  trans-69.980.4174.7-72.8-86000112.5F575F575-Y577 PolarHBondContact O-N 3.09Å
578V69.4Low73.9Confident48 Ų48102.4 Ų102.429%0.29152%0.518SS..  trans-73.1124.7174.5-176.40000110.3L570 L576 T582 L583L570-V578 HydrophobicContact CD2-CG2 4.15Å; L576-V578 VanDerWaalsContact C-N 3.31Å; L576-V578 HydrophobicContact CD2-CG2 3.79Å; L576-V578 HydrophobicContact CG-CG2 3.89Å; L576-V578 PolarHBondContact O-N 2.9Å; V578-T582 HydrophobicContact CG1-CG2 4.33Å; V578-L583 HydrophobicContact CB-CD1 4.43Å; V578-L583 HydrophobicContact CG1-CB 4.12Å; V578-L583 HydrophobicContact CG1-CD1 4.04Å
579S77.6Confident74.5Confident69 Ų69106.3 Ų106.348%0.48354%0.535SS..  trans-66.6134.817662.70000111.9P581 T582 L583S579-P581 VanDerWaalsContact C-CD 3.43Å; S579-P581 VanDerWaalsContact C-N 3.33Å; S579-P581 VanDerWaalsContact O-N 3.16Å; S579-T582 WeakPolarHBondContact O-CA 3.44Å; S579-T582 VanDerWaalsContact O-CB 3.3Å; S579-T582 WeakPolarHBondContact O-CB 3.25Å; S579-T582 PolarHBondContact O-N 3.34Å; S579-T582 PolarHBondContact OG-OG1 2.88Å; S579-L583 PolarHBondContact O-N 2.74Å
580G77Confident75.1Confident44 Ų44102.5 Ų102.545%0.45452%0.516SS..Hα-helixtrans-49.6-38.8-176.600000116.2T582 L583 S584G580-T582 VanDerWaalsContact C-N 3.31Å; G580-T582 PolarHBondContact O-N 2.86Å; G580-L583 PolarHBondContact O-N 3.29Å; G580-S584 WeakPolarHBondContact O-CB 3.5Å; G580-S584 PolarHBondContact O-N 3.27Å; G580-S584 PolarHBondContact O-OG 3.12Å
581P79.1Confident75.8Confident96 Ų96101.8 Ų101.862%0.62351%0.512SS*.Hα-helixtrans-63.7-32.9173.5-24.635.6000113.7S579 K585S579-P581 VanDerWaalsContact C-CD 3.43Å; S579-P581 VanDerWaalsContact C-N 3.33Å; S579-P581 VanDerWaalsContact O-N 3.16Å; P581-K585 WeakPolarHBondContact O-CG 3.24Å; P581-K585 PolarHBondContact O-N 2.85Å
582T79Confident76.4Confident64 Ų6497.7 Ų97.739%0.39350%0.503SS..Hα-helixtrans-73.9-45.1177.5-51.20000110.6V578 S579 G580 S584 K585 M586V578-T582 HydrophobicContact CG1-CG2 4.33Å; S579-T582 WeakPolarHBondContact O-CA 3.44Å; S579-T582 VanDerWaalsContact O-CB 3.3Å; S579-T582 WeakPolarHBondContact O-CB 3.25Å; S579-T582 PolarHBondContact O-N 3.34Å; S579-T582 PolarHBondContact OG-OG1 2.88Å; G580-T582 VanDerWaalsContact C-N 3.31Å; G580-T582 PolarHBondContact O-N 2.86Å; T582-S584 VanDerWaalsContact C-N 3.26Å; T582-S584 PolarHBondContact O-N 3.34Å; T582-K585 WeakPolarHBondContact O-CB 3.26Å; T582-K585 PolarHBondContact O-N 3.45Å; T582-M586 PolarHBondContact O-N 3.38Å; T582-M586 VanDerWaalsContact O-N 3.07Å
583L79.6Confident77Confident55 Ų5597.5 Ų97.529%0.28850%0.502SS..Hα-helixtrans-55.3-44.3173.8-161.575.3000111.3L566 L570 V578 S579 G580 K585 M586 W587L566-L583 HydrophobicContact CD2-CD1 3.52Å; L566-L583 HydrophobicContact CD2-CG 3.81Å; L566-L583 HydrophobicContact CG-CD1 4.1Å; L570-L583 HydrophobicContact CD1-CD1 4.03Å; L570-L583 HydrophobicContact CD2-CD1 3.97Å; L570-L583 HydrophobicContact CG-CD1 4.38Å; V578-L583 HydrophobicContact CB-CD1 4.43Å; V578-L583 HydrophobicContact CG1-CB 4.12Å; V578-L583 HydrophobicContact CG1-CD1 4.04Å; S579-L583 PolarHBondContact O-N 2.74Å; G580-L583 PolarHBondContact O-N 3.29Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 3.04Å; L583-M586 PolarHBondContact O-N 2.56Å; L583-W587 WeakPolarHBondContact O-CB 3.4Å; L583-W587 PolarHBondContact O-N 2.8Å
584S81.3Confident77.6Confident66 Ų6693.1 Ų93.146%0.46249%0.485SS..Hα-helixtrans-63.6-31.6177.2-59.60000113.7G580 T582 K588G580-S584 WeakPolarHBondContact O-CB 3.5Å; G580-S584 PolarHBondContact O-N 3.27Å; G580-S584 PolarHBondContact O-OG 3.12Å; T582-S584 VanDerWaalsContact C-N 3.26Å; T582-S584 PolarHBondContact O-N 3.34Å; S584-K588 WeakPolarHBondContact O-CG 3.38Å; S584-K588 PolarHBondContact O-N 3.21Å
585K85.8Confident78.6Confident146 Ų14692.7 Ų92.764%0.63547%0.474SS*.Hα-helixtrans-71.7-45.9174.2-75.5176.4179179.70111.3P581 T582 L583 K588 Q589P581-K585 WeakPolarHBondContact O-CG 3.24Å; P581-K585 PolarHBondContact O-N 2.85Å; T582-K585 WeakPolarHBondContact O-CB 3.26Å; T582-K585 PolarHBondContact O-N 3.45Å; L583-K585 VanDerWaalsContact C-N 3.32Å; L583-K585 PolarHBondContact O-N 3.04Å; K585-K588 PolarHBondContact O-N 3.09Å; K585-Q589 WeakPolarHBondContact O-CG 3.36Å; K585-Q589 PolarHBondContact O-N 3.35Å
586M81.1Confident79.9Confident75 Ų7588.3 Ų88.337%0.36946%0.456SS..Hα-helixtrans-65.3-39.8179.6-63.5178.47300111.8L566 T582 L583 K588 Q589 Q590L566-M586 HydrophobicContact CD1-CB 3.54Å; L566-M586 HydrophobicContact CD1-CE 3.7Å; L566-M586 HydrophobicContact CD1-CG 4.4Å; L566-M586 HydrophobicContact CD1-SD 4.09Å; L566-M586 HydrophobicContact CD2-CB 4.12Å; T582-M586 PolarHBondContact O-N 3.38Å; T582-M586 VanDerWaalsContact O-N 3.07Å; L583-M586 PolarHBondContact O-N 2.56Å; M586-K588 VanDerWaalsContact C-N 3.35Å; M586-K588 PolarHBondContact O-N 3.48Å; M586-Q589 PolarHBondContact O-N 3.27Å; M586-Q590 PolarHBondContact O-N 3.5Å
587W81.9Confident80.6Confident106 Ų10688.6 Ų88.640%0.40246%0.458SS..Hα-helixtrans-59.8-42.9174.7-164.6-90.1000112.2L566 P567 L583 Q590 I591L566-W587 HydrophobicContact CB-CE3 3.9Å; L566-W587 HydrophobicContact CB-CZ3 4.15Å; L566-W587 HydrophobicContact CD2-CB 4.17Å; L566-W587 HydrophobicContact CD2-CE3 3.78Å; L566-W587 HydrophobicContact CG-CE3 4.48Å; P567-W587 HydrophobicContact CG-CH2 4.2Å; P567-W587 HydrophobicContact CG-CZ3 3.87Å; L583-W587 WeakPolarHBondContact O-CB 3.4Å; L583-W587 PolarHBondContact O-N 2.8Å; W587-Q590 PolarHBondContact O-N 3.17Å; W587-I591 WeakPolarHBondContact O-CG1 3.23Å; W587-I591 PolarHBondContact O-N 2.98Å; W587-I591 VanDerWaalsContact O-N 3.07Å
588K85.3Confident81.6Confident156 Ų15681.6 Ų81.668%0.67843%0.432SS*.Hα-helixtrans-64-38.7174.4-73.6175.3179.6-175.90112.6S584 K585 M586 A592S584-K588 WeakPolarHBondContact O-CG 3.38Å; S584-K588 PolarHBondContact O-N 3.21Å; K585-K588 PolarHBondContact O-N 3.09Å; M586-K588 VanDerWaalsContact C-N 3.35Å; M586-K588 PolarHBondContact O-N 3.48Å; K588-A592 WeakPolarHBondContact O-CB 3.28Å; K588-A592 PolarHBondContact O-N 2.63Å
589Q84.3Confident82.2Confident124 Ų12484.2 Ų84.258%0.57944%0.439SS*.Hα-helixtrans-65.6-42.6175.6-73.7175.1-30.800112.1K585 M586 A592 Q593K585-Q589 WeakPolarHBondContact O-CG 3.36Å; K585-Q589 PolarHBondContact O-N 3.35Å; M586-Q589 PolarHBondContact O-N 3.27Å; Q589-A592 PolarHBondContact O-N 3.07Å; Q589-Q593 WeakPolarHBondContact O-CG 3.24Å; Q589-Q593 PolarHBondContact O-N 3.35Å
590Q83.1Confident82.4Confident12 Ų1285.6 Ų85.66%0.05644%0.438CS..Hα-helixtrans-60.3-46.8175.6-175.7-175.9-24.600111.4E562 H563 L565 M586 W587 A592 Q593 V594E562-Q590 PolarHBondContact O-NE2 3.24Å; H563-Q590 PolarHBondContact O-NE2 3.24Å; L565-Q590 HydrophobicContact CB-CG 4.3Å; M586-Q590 PolarHBondContact O-N 3.5Å; W587-Q590 PolarHBondContact O-N 3.17Å; Q590-A592 PolarHBondContact O-N 2.98Å; Q590-Q593 PolarHBondContact O-N 3.39Å; Q590-V594 WeakPolarHBondContact O-CB 3.47Å; Q590-V594 VanDerWaalsContact O-CG2 3.3Å; Q590-V594 WeakPolarHBondContact O-CG2 3.31Å; Q590-V594 PolarHBondContact O-N 2.96Å
591I83.8Confident82.6Confident58 Ų5885.5 Ų85.530%0.29743%0.434SS..Hα-helixtrans-58.9-47.3176.3-68.9169.6000111W587 Q593 V594 E595W587-I591 WeakPolarHBondContact O-CG1 3.23Å; W587-I591 PolarHBondContact O-N 2.98Å; W587-I591 VanDerWaalsContact O-N 3.07Å; I591-Q593 PolarHBondContact O-N 2.97Å; I591-V594 PolarHBondContact O-N 3.29Å; I591-E595 WeakPolarHBondContact O-CB 3.38Å; I591-E595 PolarHBondContact O-N 3.39Å
592A85.6Confident82.5Confident59 Ų5984.1 Ų84.149%0.48843%0.425SS..Hα-helixtrans-61.9-39.4-178.600000113.1K588 Q589 Q590 Q596K588-A592 WeakPolarHBondContact O-CB 3.28Å; K588-A592 PolarHBondContact O-N 2.63Å; Q589-A592 PolarHBondContact O-N 3.07Å; Q590-A592 PolarHBondContact O-N 2.98Å; A592-Q596 PolarHBondContact O-N 2.95Å; A592-Q596 VanDerWaalsContact O-N 3.1Å
593Q83.6Confident82.5Confident126 Ų12690.1 Ų90.159%0.58944%0.441SS*.Hα-helixtrans-66.8-44.3175.2-72.2179-6.300112Q589 Q590 I591 E595 Q596 L597Q589-Q593 WeakPolarHBondContact O-CG 3.24Å; Q589-Q593 PolarHBondContact O-N 3.35Å; Q590-Q593 PolarHBondContact O-N 3.39Å; I591-Q593 PolarHBondContact O-N 2.97Å; Q593-E595 VanDerWaalsContact C-N 3.34Å; Q593-E595 PolarHBondContact O-N 3.44Å; Q593-Q596 PolarHBondContact O-N 3.45Å; Q593-L597 WeakPolarHBondContact O-CG 3.4Å; Q593-L597 PolarHBondContact O-N 3.23Å
594V83.1Confident82.4Confident25 Ų2592.4 Ų92.415%0.15245%0.45CS..Hα-helixtrans-63.2-40.6177.5167.90000111.3E562 Q590 I591 Q596 K598E562-V594 HydrophobicContact CB-CG1 4.06Å; E562-V594 WeakPolarHBondContact O-CG2 3.36Å; Q590-V594 WeakPolarHBondContact O-CB 3.47Å; Q590-V594 VanDerWaalsContact O-CG2 3.3Å; Q590-V594 WeakPolarHBondContact O-CG2 3.31Å; Q590-V594 PolarHBondContact O-N 2.96Å; I591-V594 PolarHBondContact O-N 3.29Å; V594-Q596 PolarHBondContact O-N 3.46Å; V594-K598 HydrophobicContact CG1-CD 4.07Å; V594-K598 WeakPolarHBondContact O-CB 3.45Å; V594-K598 VanDerWaalsContact O-CG 3.28Å; V594-K598 WeakPolarHBondContact O-CG 3.4Å; V594-K598 PolarHBondContact O-N 3.2Å
595E83.4Confident82.3Confident91 Ų9193.8 Ų93.843%0.42545%0.452SS..Hα-helixtrans-60.5-41.9172.2-88-166.3-143.100113I591 Q593 K598 K599I591-E595 WeakPolarHBondContact O-CB 3.38Å; I591-E595 PolarHBondContact O-N 3.39Å; Q593-E595 VanDerWaalsContact C-N 3.34Å; Q593-E595 PolarHBondContact O-N 3.44Å; E595-K598 PolarHBondContact O-N 2.87Å; E595-K599 WeakPolarHBondContact O-CB 3.49Å; E595-K599 WeakPolarHBondContact O-CD 3.3Å; E595-K599 WeakPolarHBondContact O-CG 3.44Å; E595-K599 PolarHBondContact O-N 2.94Å; E595-K599 WeakPolarHBondContact OE2-CE 3.27Å; E595-K599 IonicContact OE2-NZ 2.68Å; E595-K599 PolarHBondContact OE2-NZ 2.9Å
596Q84.4Confident82Confident92 Ų9295.5 Ų95.543%0.4345%0.454SS..Hα-helixtrans-65.8-46.3180-176.26117.500111.4A592 Q593 V594 K598 K599 E600A592-Q596 PolarHBondContact O-N 2.95Å; A592-Q596 VanDerWaalsContact O-N 3.1Å; Q593-Q596 PolarHBondContact O-N 3.45Å; V594-Q596 PolarHBondContact O-N 3.46Å; Q596-K598 VanDerWaalsContact C-N 3.31Å; Q596-K598 PolarHBondContact O-N 3.31Å; Q596-K599 WeakPolarHBondContact O-CB 3.3Å; Q596-K599 PolarHBondContact O-N 3.38Å; Q596-K599 VanDerWaalsContact O-N 3.1Å; Q596-E600 PolarHBondContact NE2-OE1 3.09Å; Q596-E600 PolarHBondContact O-N 3.29Å
597L82.1Confident82Confident116 Ų11695.1 Ų95.161%0.60746%0.459SS*.Hα-helixtrans-61-39.5175.1-67.5172.6000111.8Q593 E600 A601Q593-L597 WeakPolarHBondContact O-CG 3.4Å; Q593-L597 PolarHBondContact O-N 3.23Å; L597-E600 PolarHBondContact O-N 2.78Å; L597-A601 WeakPolarHBondContact O-CB 3.23Å; L597-A601 PolarHBondContact O-N 3.06Å
598K82.3Confident82Confident86 Ų8694.5 Ų94.537%0.37446%0.459SS..Hα-helixtrans-62.8-41.4172.5-76.1175.1178.5-177.70112.1E562 V594 E595 Q596 C602E562-K598 WeakPolarHBondContact OE1-CE 3.41Å; E562-K598 IonicContact OE1-NZ 3.66Å; E562-K598 PolarHBondContact OE1-NZ 2.88Å; E562-K598 VanDerWaalsContact OE2-CE 3.29Å; E562-K598 WeakPolarHBondContact OE2-CE 3.29Å; E562-K598 IonicContact OE2-NZ 3.45Å; E562-K598 PolarHBondContact OE2-NZ 3.46Å; V594-K598 HydrophobicContact CG1-CD 4.07Å; V594-K598 WeakPolarHBondContact O-CB 3.45Å; V594-K598 VanDerWaalsContact O-CG 3.28Å; V594-K598 WeakPolarHBondContact O-CG 3.4Å; V594-K598 PolarHBondContact O-N 3.2Å; E595-K598 PolarHBondContact O-N 2.87Å; Q596-K598 VanDerWaalsContact C-N 3.31Å; Q596-K598 PolarHBondContact O-N 3.31Å; K598-C602 VanDerWaalsContact O-CB 3.26Å; K598-C602 WeakPolarHBondContact O-CB 3.5Å; K598-C602 PolarHBondContact O-N 3.1Å; K598-C602 PolarHBondContact O-SG 2.81Å
599K83.8Confident82Confident102 Ų10293 Ų9344%0.44345%0.453SS..Hα-helixtrans-64.7-38176.8-71.8158.3-166.3167.10111.9E595 Q596 R603E595-K599 WeakPolarHBondContact O-CB 3.49Å; E595-K599 WeakPolarHBondContact O-CD 3.3Å; E595-K599 WeakPolarHBondContact O-CG 3.44Å; E595-K599 PolarHBondContact O-N 2.94Å; E595-K599 WeakPolarHBondContact OE2-CE 3.27Å; E595-K599 IonicContact OE2-NZ 2.68Å; E595-K599 PolarHBondContact OE2-NZ 2.9Å; Q596-K599 WeakPolarHBondContact O-CB 3.3Å; Q596-K599 PolarHBondContact O-N 3.38Å; Q596-K599 VanDerWaalsContact O-N 3.1Å; K599-R603 WeakPolarHBondContact O-CG 3.44Å; K599-R603 PolarHBondContact O-N 3.29Å; K599-R603 VanDerWaalsContact O-N 3.17Å
600E81.9Confident82.1Confident98 Ų9893.6 Ų93.646%0.45845%0.453SS..Hα-helixtrans-72.3-48.1177.3-73.7169.1-165.600112.1Q596 L597 C602 R603 E604Q596-E600 PolarHBondContact NE2-OE1 3.09Å; Q596-E600 PolarHBondContact O-N 3.29Å; L597-E600 PolarHBondContact O-N 2.78Å; E600-C602 VanDerWaalsContact C-N 3.26Å; E600-C602 PolarHBondContact O-N 3.34Å; E600-R603 WeakPolarHBondContact O-CA 3.26Å; E600-R603 WeakPolarHBondContact O-CB 3.34Å; E600-R603 PolarHBondContact O-N 3.02Å; E600-E604 PolarHBondContact O-N 2.81Å
601A79.9Confident82.2Confident43 Ų4397.8 Ų97.836%0.35548%0.476SS..Hα-helixtrans-58-38.3172.600000111.9L597 R603 E604 N605L597-A601 WeakPolarHBondContact O-CB 3.23Å; L597-A601 PolarHBondContact O-N 3.06Å; A601-R603 VanDerWaalsContact C-N 3.3Å; A601-R603 PolarHBondContact O-N 2.94Å; A601-E604 PolarHBondContact O-N 3.5Å; A601-N605 VanDerWaalsContact O-CB 3.31Å; A601-N605 WeakPolarHBondContact O-CB 3.39Å; A601-N605 VanDerWaalsContact O-CG 3.24Å; A601-N605 PolarHBondContact O-N 3.46Å; A601-N605 PolarHBondContact O-ND2 3.19Å
602C77.2Confident82.4Confident66 Ų66100.5 Ų100.545%0.44649%0.487SS..Hα-helixtrans-64.8-29.2172.8-74.70000113.6K598 E600 R606K598-C602 VanDerWaalsContact O-CB 3.26Å; K598-C602 WeakPolarHBondContact O-CB 3.5Å; K598-C602 PolarHBondContact O-N 3.1Å; K598-C602 PolarHBondContact O-SG 2.81Å; E600-C602 VanDerWaalsContact C-N 3.26Å; E600-C602 PolarHBondContact O-N 3.34Å; C602-R606 VanDerWaalsContact O-CD 3.25Å; C602-R606 WeakPolarHBondContact O-CD 3.49Å; C602-R606 WeakPolarHBondContact O-CG 3.49Å; C602-R606 PolarHBondContact O-N 3.12Å
603R78.4Confident82.6Confident191 Ų191101.2 Ų101.272%0.72148%0.483SS*.Hα-helixtrans-74.7-44.4173.3-74.7176.2179.9-100.73.6111.3K599 E600 A601 R606 S607K599-R603 WeakPolarHBondContact O-CG 3.44Å; K599-R603 PolarHBondContact O-N 3.29Å; K599-R603 VanDerWaalsContact O-N 3.17Å; E600-R603 WeakPolarHBondContact O-CA 3.26Å; E600-R603 WeakPolarHBondContact O-CB 3.34Å; E600-R603 PolarHBondContact O-N 3.02Å; A601-R603 VanDerWaalsContact C-N 3.3Å; A601-R603 PolarHBondContact O-N 2.94Å; R603-R606 WeakPolarHBondContact O-CB 3.26Å; R603-R606 PolarHBondContact O-N 2.74Å; R603-S607 PolarHBondContact O-N 2.97Å; R603-S607 VanDerWaalsContact O-N 3.08Å
604E78.9Confident83Confident102 Ų102100.5 Ų100.548%0.47748%0.48SS..Hα-helixtrans-66.1-39.3179-156.6-159.5175.900112.1E600 A601 R606 S607 K608E600-E604 PolarHBondContact O-N 2.81Å; A601-E604 PolarHBondContact O-N 3.5Å; E604-R606 VanDerWaalsContact C-N 3.28Å; E604-R606 PolarHBondContact O-N 3.13Å; E604-S607 PolarHBondContact O-N 3.15Å; E604-S607 PolarHBondContact O-OG 3.46Å; E604-K608 VanDerWaalsContact CD-CE 3.45Å; E604-K608 HydrophobicContact CG-CD 4.41Å; E604-K608 WeakPolarHBondContact O-CB 3.45Å; E604-K608 WeakPolarHBondContact O-CG 3.31Å; E604-K608 PolarHBondContact O-N 2.89Å; E604-K608 WeakPolarHBondContact OE1-CE 3.18Å; E604-K608 IonicContact OE1-NZ 3.67Å; E604-K608 PolarHBondContact OE1-NZ 3.35Å; E604-K608 IonicContact OE2-NZ 2.69Å; E604-K608 PolarHBondContact OE2-NZ 3.48Å
605N78.4Confident83.3Confident96 Ų96103.6 Ų103.651%0.51349%0.494SS..Hα-helixtrans-66.7-29.8174.1-70.9-26.8000112.3A601 K609A601-N605 VanDerWaalsContact O-CB 3.31Å; A601-N605 WeakPolarHBondContact O-CB 3.39Å; A601-N605 VanDerWaalsContact O-CG 3.24Å; A601-N605 PolarHBondContact O-N 3.46Å; A601-N605 PolarHBondContact O-ND2 3.19Å; N605-K609 VanDerWaalsContact O-CB 3.3Å; N605-K609 WeakPolarHBondContact O-CB 3.36Å; N605-K609 PolarHBondContact O-N 3.21Å
606R79.6Confident83.7Confident181 Ų181103.6 Ų103.668%0.68349%0.494SS*.Hα-helixtrans-71.1-36.5172.6-75.2167.3-173-166.71.8112.7C602 R603 E604 K610C602-R606 VanDerWaalsContact O-CD 3.25Å; C602-R606 WeakPolarHBondContact O-CD 3.49Å; C602-R606 WeakPolarHBondContact O-CG 3.49Å; C602-R606 PolarHBondContact O-N 3.12Å; R603-R606 WeakPolarHBondContact O-CB 3.26Å; R603-R606 PolarHBondContact O-N 2.74Å; E604-R606 VanDerWaalsContact C-N 3.28Å; E604-R606 PolarHBondContact O-N 3.13Å; R606-K610 WeakPolarHBondContact O-CG 3.39Å; R606-K610 PolarHBondContact O-N 2.87Å; R606-K610 VanDerWaalsContact O-N 3.16Å
607S81.3Confident84.1Confident67 Ų67103.6 Ų103.647%0.46949%0.494SS..Hα-helixtrans-75.5-40.8175.4550000112.3R603 E604 K609 K610 L611R603-S607 PolarHBondContact O-N 2.97Å; R603-S607 VanDerWaalsContact O-N 3.08Å; E604-S607 PolarHBondContact O-N 3.15Å; E604-S607 PolarHBondContact O-OG 3.46Å; S607-K609 VanDerWaalsContact C-N 3.33Å; S607-K609 PolarHBondContact O-N 2.95Å; S607-K610 PolarHBondContact O-N 3.32Å; S607-L611 PolarHBondContact O-N 3.27Å
608K82.6Confident84.6Confident94 Ų94100.5 Ų100.541%0.40949%0.486SS..Hα-helixtrans-57.1-45.6171.4-74.2170.3-178.4164.60111.5E604 L611 Q612E604-K608 VanDerWaalsContact CD-CE 3.45Å; E604-K608 HydrophobicContact CG-CD 4.41Å; E604-K608 WeakPolarHBondContact O-CB 3.45Å; E604-K608 WeakPolarHBondContact O-CG 3.31Å; E604-K608 PolarHBondContact O-N 2.89Å; E604-K608 WeakPolarHBondContact OE1-CE 3.18Å; E604-K608 IonicContact OE1-NZ 3.67Å; E604-K608 PolarHBondContact OE1-NZ 3.35Å; E604-K608 IonicContact OE2-NZ 2.69Å; E604-K608 PolarHBondContact OE2-NZ 3.48Å; K608-L611 PolarHBondContact O-N 2.87Å; K608-Q612 WeakPolarHBondContact O-CG 3.42Å; K608-Q612 PolarHBondContact O-N 2.79Å
609K84.6Confident85.1Confident123 Ų123101 Ų10154%0.53549%0.492SS..Hα-helixtrans-62-45.2176.4-178.1168.7179.5175.70112.2N605 S607 L611 Q612 D613N605-K609 VanDerWaalsContact O-CB 3.3Å; N605-K609 WeakPolarHBondContact O-CB 3.36Å; N605-K609 PolarHBondContact O-N 3.21Å; S607-K609 VanDerWaalsContact C-N 3.33Å; S607-K609 PolarHBondContact O-N 2.95Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-L611 PolarHBondContact O-N 2.9Å; K609-Q612 CarbonylContact O-C 3.35Å; K609-Q612 WeakPolarHBondContact O-CA 3.39Å; K609-Q612 WeakPolarHBondContact O-CB 3.46Å; K609-Q612 PolarHBondContact O-N 3.28Å; K609-Q612 VanDerWaalsContact O-N 3.08Å; K609-D613 VanDerWaalsContact CE-OD1 3.29Å; K609-D613 WeakPolarHBondContact CE-OD1 3.2Å; K609-D613 WeakPolarHBondContact CE-OD2 3.35Å; K609-D613 WeakPolarHBondContact CG-OD2 3.21Å; K609-D613 VanDerWaalsContact O-CG 3.24Å; K609-D613 PolarHBondContact O-N 3.34Å
610K86.5Confident85.6Confident137 Ų137103.5 Ų103.560%0.59650%0.498SS*.Hα-helixtrans-56.3-45.4175.3-77.7-176.9172.7-161.30112.6R606 S607 Q612 D613 E614R606-K610 WeakPolarHBondContact O-CG 3.39Å; R606-K610 PolarHBondContact O-N 2.87Å; R606-K610 VanDerWaalsContact O-N 3.16Å; S607-K610 PolarHBondContact O-N 3.32Å; K610-Q612 VanDerWaalsContact C-N 3.29Å; K610-Q612 PolarHBondContact O-N 3.11Å; K610-D613 PolarHBondContact O-N 3.22Å; K610-E614 WeakPolarHBondContact O-CB 3.43Å; K610-E614 VanDerWaalsContact O-CG 3.25Å; K610-E614 WeakPolarHBondContact O-CG 3.34Å; K610-E614 PolarHBondContact O-N 2.79Å
611L85.9Confident86.3Confident101 Ų101104.9 Ų104.953%0.52950%0.5SS..Hα-helixtrans-63.2-35.7177-176.763.4000111.9S607 K608 K609 I615S607-L611 PolarHBondContact O-N 3.27Å; K608-L611 PolarHBondContact O-N 2.87Å; K609-L611 VanDerWaalsContact C-N 3.32Å; K609-L611 PolarHBondContact O-N 2.9Å; L611-I615 HydrophobicContact CD1-CD1 4.23Å; L611-I615 HydrophobicContact CG-CD1 3.98Å; L611-I615 WeakPolarHBondContact O-CB 3.18Å; L611-I615 WeakPolarHBondContact O-CD1 3.34Å; L611-I615 WeakPolarHBondContact O-CG1 3.42Å; L611-I615 PolarHBondContact O-N 2.91Å
612Q86.4Confident86.9Confident115 Ų115108 Ų10854%0.53751%0.507SS..Hα-helixtrans-67.7-46.5172.6-70.7171.3-47.400111.9K608 K609 K610 E614 I615 E616K608-Q612 WeakPolarHBondContact O-CG 3.42Å; K608-Q612 PolarHBondContact O-N 2.79Å; K609-Q612 CarbonylContact O-C 3.35Å; K609-Q612 WeakPolarHBondContact O-CA 3.39Å; K609-Q612 WeakPolarHBondContact O-CB 3.46Å; K609-Q612 PolarHBondContact O-N 3.28Å; K609-Q612 VanDerWaalsContact O-N 3.08Å; K610-Q612 VanDerWaalsContact C-N 3.29Å; K610-Q612 PolarHBondContact O-N 3.11Å; Q612-E614 VanDerWaalsContact C-N 3.29Å; Q612-E614 PolarHBondContact O-N 2.61Å; Q612-I615 PolarHBondContact O-N 2.67Å; Q612-E616 WeakPolarHBondContact O-CB 3.31Å; Q612-E616 WeakPolarHBondContact O-CG 3.38Å; Q612-E616 PolarHBondContact O-N 2.82Å
613D90.4Very high87.8Confident74 Ų74109.1 Ų109.140%0.39651%0.508SS..Hα-helixtrans-58.3-41.8176.1-63-36.3000110.5K609 K610 E617K609-D613 VanDerWaalsContact CE-OD1 3.29Å; K609-D613 WeakPolarHBondContact CE-OD1 3.2Å; K609-D613 WeakPolarHBondContact CE-OD2 3.35Å; K609-D613 WeakPolarHBondContact CG-OD2 3.21Å; K609-D613 VanDerWaalsContact O-CG 3.24Å; K609-D613 PolarHBondContact O-N 3.34Å; K610-D613 PolarHBondContact O-N 3.22Å; D613-E617 WeakPolarHBondContact O-CB 3.4Å; D613-E617 PolarHBondContact O-N 2.75Å
614E91.7Very high88.7Confident111 Ų111105 Ų10552%0.51950%0.5SS..Hα-helixtrans-66.9-42176-74164.7-152.900112.8K610 Q612 E617 A618K610-E614 WeakPolarHBondContact O-CB 3.43Å; K610-E614 VanDerWaalsContact O-CG 3.25Å; K610-E614 WeakPolarHBondContact O-CG 3.34Å; K610-E614 PolarHBondContact O-N 2.79Å; Q612-E614 VanDerWaalsContact C-N 3.29Å; Q612-E614 PolarHBondContact O-N 2.61Å; E614-E617 PolarHBondContact O-N 2.68Å; E614-A618 WeakPolarHBondContact O-CB 3.28Å; E614-A618 PolarHBondContact O-N 3.26Å
615I90.3Very high89.5Confident89 Ų89105.4 Ų105.446%0.45651%0.505SS..Hα-helixtrans-66.5-43.6175.3-73.2165.6000110.8L611 Q612 E617 A618 L619L611-I615 HydrophobicContact CD1-CD1 4.23Å; L611-I615 HydrophobicContact CG-CD1 3.98Å; L611-I615 WeakPolarHBondContact O-CB 3.18Å; L611-I615 WeakPolarHBondContact O-CD1 3.34Å; L611-I615 WeakPolarHBondContact O-CG1 3.42Å; L611-I615 PolarHBondContact O-N 2.91Å; Q612-I615 PolarHBondContact O-N 2.67Å; I615-E617 VanDerWaalsContact C-N 3.33Å; I615-E617 PolarHBondContact O-N 2.89Å; I615-A618 PolarHBondContact O-N 3.23Å; I615-L619 HydrophobicContact CG2-CD1 4.16Å; I615-L619 WeakPolarHBondContact O-CG 3.35Å; I615-L619 PolarHBondContact O-N 2.85Å
616E92.2Very high90.3Very high91 Ų91103.4 Ų103.443%0.42550%0.496SS..Hα-helixtrans-62.1-40.6174.2-77.5-169.3-142.900111.6Q612 L619 R620Q612-E616 WeakPolarHBondContact O-CB 3.31Å; Q612-E616 WeakPolarHBondContact O-CG 3.38Å; Q612-E616 PolarHBondContact O-N 2.82Å; E616-L619 PolarHBondContact O-N 3.47Å; E616-R620 WeakPolarHBondContact O-CB 3.49Å; E616-R620 WeakPolarHBondContact O-CG 3.17Å; E616-R620 PolarHBondContact O-N 3.44Å; E616-R620 IonicContact OE2-CZ 3.14Å; E616-R620 IonicContact OE2-NH2 3.17Å; E616-R620 PolarHBondContact OE2-NH2 3.02Å
617E92.6Very high91.1Very high92 Ų9297 Ų9743%0.4348%0.477SS..Hα-helixtrans-66.5-38176-155.4-166.3-164.200111.8D613 E614 I615 R620 R621D613-E617 WeakPolarHBondContact O-CB 3.4Å; D613-E617 PolarHBondContact O-N 2.75Å; E614-E617 PolarHBondContact O-N 2.68Å; I615-E617 VanDerWaalsContact C-N 3.33Å; I615-E617 PolarHBondContact O-N 2.89Å; E617-R620 PolarHBondContact O-N 3.19Å; E617-R621 VanDerWaalsContact O-CG 3.29Å; E617-R621 WeakPolarHBondContact O-CG 3.36Å; E617-R621 PolarHBondContact O-N 2.87Å; E617-R621 IonicContact OE1-CZ 2.68Å; E617-R621 IonicContact OE1-NH1 2.99Å; E617-R621 IonicContact OE1-NH2 2.67Å; E617-R621 PolarHBondContact OE1-NH2 3.21Å; E617-R621 IonicContact OE2-CZ 2.76Å; E617-R621 IonicContact OE2-NH1 2.76Å; E617-R621 PolarHBondContact OE2-NH1 3.14Å; E617-R621 IonicContact OE2-NH2 2.75Å; E617-R621 PolarHBondContact OE2-NH2 3.2Å
618A91.8Very high91.9Very high52 Ų5297.6 Ų97.643%0.4347%0.474SS..Hα-helixtrans-64-40.9172.900000112.5E614 I615 R621 H622E614-A618 WeakPolarHBondContact O-CB 3.28Å; E614-A618 PolarHBondContact O-N 3.26Å; I615-A618 PolarHBondContact O-N 3.23Å; A618-R621 WeakPolarHBondContact O-CB 3.34Å; A618-R621 PolarHBondContact O-N 3.43Å; A618-H622 PolarHBondContact O-N 2.84Å
619L93.1Very high92.5Very high97 Ų9797.6 Ų97.651%0.50848%0.482SS..Hα-helixtrans-64.2-46.1173.9-72.1169.1000111.5I615 E616 R621 H622 D623I615-L619 HydrophobicContact CG2-CD1 4.16Å; I615-L619 WeakPolarHBondContact O-CG 3.35Å; I615-L619 PolarHBondContact O-N 2.85Å; E616-L619 PolarHBondContact O-N 3.47Å; L619-R621 VanDerWaalsContact C-N 3.27Å; L619-R621 PolarHBondContact O-N 2.8Å; L619-H622 WeakPolarHBondContact O-CB 3.31Å; L619-H622 PolarHBondContact O-N 2.86Å; L619-H622 VanDerWaalsContact O-N 3.1Å; L619-D623 PolarHBondContact O-N 3.18Å
620R94.7Very high93.1Very high153 Ų15398.5 Ų98.558%0.57748%0.482SS*.Hα-helixtrans-59.2-37.1175.2-67.2166.4-158.5171.95.9112.1E616 E617 L624E616-R620 WeakPolarHBondContact O-CB 3.49Å; E616-R620 WeakPolarHBondContact O-CG 3.17Å; E616-R620 PolarHBondContact O-N 3.44Å; E616-R620 IonicContact OE2-CZ 3.14Å; E616-R620 IonicContact OE2-NH2 3.17Å; E616-R620 PolarHBondContact OE2-NH2 3.02Å; E617-R620 PolarHBondContact O-N 3.19Å; R620-L624 VanDerWaalsContact O-CB 3.32Å; R620-L624 WeakPolarHBondContact O-CB 3.42Å; R620-L624 PolarHBondContact O-N 2.95Å
621R95.2Very high93.6Very high128 Ų12898 Ų9848%0.48348%0.48SS..Hα-helixtrans-66-45.5172.2-73.1172.7-178.9114.51.6112.2E617 A618 L619 L624 L625E617-R621 VanDerWaalsContact O-CG 3.29Å; E617-R621 WeakPolarHBondContact O-CG 3.36Å; E617-R621 PolarHBondContact O-N 2.87Å; E617-R621 IonicContact OE1-CZ 2.68Å; E617-R621 IonicContact OE1-NH1 2.99Å; E617-R621 IonicContact OE1-NH2 2.67Å; E617-R621 PolarHBondContact OE1-NH2 3.21Å; E617-R621 IonicContact OE2-CZ 2.76Å; E617-R621 IonicContact OE2-NH1 2.76Å; E617-R621 PolarHBondContact OE2-NH1 3.14Å; E617-R621 IonicContact OE2-NH2 2.75Å; E617-R621 PolarHBondContact OE2-NH2 3.2Å; A618-R621 WeakPolarHBondContact O-CB 3.34Å; A618-R621 PolarHBondContact O-N 3.43Å; L619-R621 VanDerWaalsContact C-N 3.27Å; L619-R621 PolarHBondContact O-N 2.8Å; R621-L624 PolarHBondContact O-N 3.01Å; R621-L625 WeakPolarHBondContact O-CG 3.48Å; R621-L625 PolarHBondContact O-N 3.3Å
622H94.1Very high94Very high109 Ų10998.9 Ų98.951%0.50548%0.482SS..Hα-helixtrans-60.2-44.7176.9171.8-84000112A618 L619 L625 T626A618-H622 PolarHBondContact O-N 2.84Å; L619-H622 WeakPolarHBondContact O-CB 3.31Å; L619-H622 PolarHBondContact O-N 2.86Å; L619-H622 VanDerWaalsContact O-N 3.1Å; H622-L625 PolarHBondContact O-N 2.96Å; H622-T626 PolarHBondContact CE1-OG1 2.75Å; H622-T626 WeakPolarHBondContact O-CB 3.38Å; H622-T626 PolarHBondContact O-N 3.27Å; H622-T626 PolarHBondContact O-OG1 2.86Å
623D95.8Very high94.5Very high89 Ų89101.1 Ų101.148%0.47649%0.486SS..Hα-helixtrans-69.6-39-179.3-68-12.3000111.1L619 T626 T627L619-D623 PolarHBondContact O-N 3.18Å; D623-T626 WeakPolarHBondContact O-CB 3.49Å; D623-T626 PolarHBondContact O-N 3.4Å; D623-T627 WeakPolarHBondContact O-CG2 3.41Å; D623-T627 PolarHBondContact O-N 3.18Å
624L96.4Very high94.8Very high103 Ų103101 Ų10154%0.53948%0.483SS..Hα-helixtrans-57-51.6170.7178.659.8000111.3R620 R621 T626 T627 L628R620-L624 VanDerWaalsContact O-CB 3.32Å; R620-L624 WeakPolarHBondContact O-CB 3.42Å; R620-L624 PolarHBondContact O-N 2.95Å; R621-L624 PolarHBondContact O-N 3.01Å; L624-T626 VanDerWaalsContact C-N 3.31Å; L624-T626 PolarHBondContact O-N 2.91Å; L624-T627 PolarHBondContact O-N 3.33Å; L624-T627 VanDerWaalsContact O-N 3.13Å; L624-T627 PolarHBondContact O-OG1 3.28Å; L624-L628 HydrophobicContact CD1-CD1 4.5Å; L624-L628 HydrophobicContact CG-CD1 4.31Å; L624-L628 WeakPolarHBondContact O-CG 3.39Å; L624-L628 PolarHBondContact O-N 3.48Å
625L95.8Very high95Very high112 Ų112101.4 Ų101.459%0.58649%0.485SS*.Hα-helixtrans-57.6-43175.6-71.7169.8000111.9R621 H622 T627 L628 V629R621-L625 WeakPolarHBondContact O-CG 3.48Å; R621-L625 PolarHBondContact O-N 3.3Å; H622-L625 PolarHBondContact O-N 2.96Å; L625-T627 VanDerWaalsContact C-N 3.33Å; L625-T627 PolarHBondContact O-N 2.89Å; L625-L628 PolarHBondContact O-N 2.82Å; L625-L628 VanDerWaalsContact O-N 3.12Å; L625-V629 WeakPolarHBondContact O-CG2 3.44Å; L625-V629 PolarHBondContact O-N 3.03Å
626T96.3Very high95.3Very high53 Ų53101.8 Ų101.833%0.32549%0.488SS..Hα-helixtrans-61.5-39.1176.3-60.10000111.9H622 D623 L624 R630H622-T626 PolarHBondContact CE1-OG1 2.75Å; H622-T626 WeakPolarHBondContact O-CB 3.38Å; H622-T626 PolarHBondContact O-N 3.27Å; H622-T626 PolarHBondContact O-OG1 2.86Å; D623-T626 WeakPolarHBondContact O-CB 3.49Å; D623-T626 PolarHBondContact O-N 3.4Å; L624-T626 VanDerWaalsContact C-N 3.31Å; L624-T626 PolarHBondContact O-N 2.91Å; T626-R630 VanDerWaalsContact O-CB 3.31Å; T626-R630 WeakPolarHBondContact O-CB 3.47Å; T626-R630 PolarHBondContact O-N 3.14Å; T626-R630 VanDerWaalsContact O-N 3.09Å
627T96.5Very high95.5Very high48 Ų48103 Ų10329%0.29449%0.491SS..Hα-helixtrans-71.5-30.617468.70000113.2D623 L624 L625 K631D623-T627 WeakPolarHBondContact O-CG2 3.41Å; D623-T627 PolarHBondContact O-N 3.18Å; L624-T627 PolarHBondContact O-N 3.33Å; L624-T627 VanDerWaalsContact O-N 3.13Å; L624-T627 PolarHBondContact O-OG1 3.28Å; L625-T627 VanDerWaalsContact C-N 3.33Å; L625-T627 PolarHBondContact O-N 2.89Å; T627-K631 WeakPolarHBondContact O-CB 3.38Å; T627-K631 WeakPolarHBondContact O-CD 3.3Å; T627-K631 WeakPolarHBondContact O-CG 3.43Å; T627-K631 PolarHBondContact O-N 3.28Å
628L96.5Very high95.7Very high78 Ų78106 Ų10641%0.40850%0.499SS..Hα-helixtrans-68.7-52.5175.4-71.1169.8000110.7L624 L625 R630 K631 E632L624-L628 HydrophobicContact CD1-CD1 4.5Å; L624-L628 HydrophobicContact CG-CD1 4.31Å; L624-L628 WeakPolarHBondContact O-CG 3.39Å; L624-L628 PolarHBondContact O-N 3.48Å; L625-L628 PolarHBondContact O-N 2.82Å; L625-L628 VanDerWaalsContact O-N 3.12Å; L628-R630 PolarHBondContact O-N 3.04Å; L628-K631 WeakPolarHBondContact O-CB 3.48Å; L628-K631 PolarHBondContact O-N 2.86Å; L628-E632 WeakPolarHBondContact O-CG 3.47Å; L628-E632 PolarHBondContact O-N 3.03Å
629V96.4Very high95.9Very high94 Ų94106.8 Ų106.857%0.5750%0.496SS*.Hα-helixtrans-57.3-38.7176.3173.60000111.4L625 E632 Y633L625-V629 WeakPolarHBondContact O-CG2 3.44Å; L625-V629 PolarHBondContact O-N 3.03Å; V629-E632 PolarHBondContact O-N 3.28Å; V629-Y633 WeakPolarHBondContact O-CB 3.49Å; V629-Y633 PolarHBondContact O-N 3.36Å
630R96.8Very high96Very high143 Ų143106.3 Ų106.354%0.5449%0.491SS..Hα-helixtrans-63.4-45.7174.1-167.3-176.7-55.5166.15112.3T626 L628 E632 Y633 E634T626-R630 VanDerWaalsContact O-CB 3.31Å; T626-R630 WeakPolarHBondContact O-CB 3.47Å; T626-R630 PolarHBondContact O-N 3.14Å; T626-R630 VanDerWaalsContact O-N 3.09Å; L628-R630 PolarHBondContact O-N 3.04Å; R630-E632 VanDerWaalsContact C-N 3.35Å; R630-E632 PolarHBondContact O-N 3.4Å; R630-Y633 PolarHBondContact O-N 3.21Å; R630-E634 WeakPolarHBondContact O-CB 3.48Å; R630-E634 WeakPolarHBondContact O-CG 3.45Å; R630-E634 PolarHBondContact O-N 2.79Å
631K96.4Very high96Very high127 Ų127102.8 Ų102.855%0.55248%0.483SS*.Hα-helixtrans-64.3-36.9176.7-74.3164.6-176169.30112.3T627 L628 H635T627-K631 WeakPolarHBondContact O-CB 3.38Å; T627-K631 WeakPolarHBondContact O-CD 3.3Å; T627-K631 WeakPolarHBondContact O-CG 3.43Å; T627-K631 PolarHBondContact O-N 3.28Å; L628-K631 WeakPolarHBondContact O-CB 3.48Å; L628-K631 PolarHBondContact O-N 2.86Å; K631-H635 VanDerWaalsContact O-CB 3.29Å; K631-H635 WeakPolarHBondContact O-CB 3.42Å; K631-H635 PolarHBondContact O-N 2.94Å
632E95.5Very high96.1Very high119 Ų119102.9 Ų102.956%0.55649%0.488SS*.Hα-helixtrans-67.2-44.9174.3-72.5177.2179.600111.9L628 V629 R630 H635 N636L628-E632 WeakPolarHBondContact O-CG 3.47Å; L628-E632 PolarHBondContact O-N 3.03Å; V629-E632 PolarHBondContact O-N 3.28Å; R630-E632 VanDerWaalsContact C-N 3.35Å; R630-E632 PolarHBondContact O-N 3.4Å; E632-H635 PolarHBondContact O-N 3.02Å; E632-N636 WeakPolarHBondContact O-CB 3.47Å; E632-N636 PolarHBondContact O-N 2.73Å; E632-N636 PolarHBondContact O-ND2 3.44Å; E632-N636 VanDerWaalsContact O-ND2 3.11Å
633Y96.4Very high96.2Very high162 Ų162102.3 Ų102.364%0.63548%0.484SS*.Hα-helixtrans-59.4-46.7173.4176.3-95000111.5V629 R630 H635 N636 K637V629-Y633 WeakPolarHBondContact O-CB 3.49Å; V629-Y633 PolarHBondContact O-N 3.36Å; R630-Y633 PolarHBondContact O-N 3.21Å; Y633-H635 PolarHBondContact O-N 3.47Å; Y633-N636 PolarHBondContact O-N 2.91Å; Y633-K637 WeakPolarHBondContact O-CB 3.36Å; Y633-K637 PolarHBondContact O-N 2.83Å
634E96.4Very high96.2Very high72 Ų7299.9 Ų99.934%0.33647%0.47SS..Hα-helixtrans-61.3-41.8174.5-76-179.9-133.300112.6R630 K637 R638R630-E634 WeakPolarHBondContact O-CB 3.48Å; R630-E634 WeakPolarHBondContact O-CG 3.45Å; R630-E634 PolarHBondContact O-N 2.79Å; E634-K637 PolarHBondContact O-N 3.45Å; E634-R638 WeakPolarHBondContact O-CB 3.26Å; E634-R638 WeakPolarHBondContact O-CG 3.35Å; E634-R638 PolarHBondContact O-N 3.3Å; E634-R638 IonicContact OE2-CZ 3.74Å; E634-R638 IonicContact OE2-NH2 2.61Å; E634-R638 PolarHBondContact OE2-NH2 2.87Å
635H96Very high96.2Very high118 Ų11898.7 Ų98.755%0.54647%0.47SS..Hα-helixtrans-63.5-46.5177.1-179.483.4000111.3K631 E632 Y633 K637 R638 L639K631-H635 VanDerWaalsContact O-CB 3.29Å; K631-H635 WeakPolarHBondContact O-CB 3.42Å; K631-H635 PolarHBondContact O-N 2.94Å; E632-H635 PolarHBondContact O-N 3.02Å; Y633-H635 PolarHBondContact O-N 3.47Å; H635-K637 VanDerWaalsContact C-N 3.34Å; H635-K637 PolarHBondContact O-N 3.12Å; H635-R638 PolarHBondContact O-N 2.97Å; H635-L639 WeakPolarHBondContact O-CB 3.25Å; H635-L639 PolarHBondContact O-N 3.37Å
636N96.4Very high96.2Very high97 Ų9795.8 Ų95.852%0.51946%0.455SS..Hα-helixtrans-62.8-39.6176.9-75.8-39.8000111.9E632 Y633 L639 Q640E632-N636 WeakPolarHBondContact O-CB 3.47Å; E632-N636 PolarHBondContact O-N 2.73Å; E632-N636 PolarHBondContact O-ND2 3.44Å; E632-N636 VanDerWaalsContact O-ND2 3.11Å; Y633-N636 PolarHBondContact O-N 2.91Å; N636-L639 PolarHBondContact O-N 3.34Å; N636-Q640 WeakPolarHBondContact O-CB 3.21Å; N636-Q640 PolarHBondContact O-N 3.1Å
637K96.5Very high96.1Very high116 Ų11699.4 Ų99.450%0.50446%0.462SS..Hα-helixtrans-60.9-52.6172.1-177.3175.3177.2-179.80111.3Y633 E634 H635 L639 Q640 D641Y633-K637 WeakPolarHBondContact O-CB 3.36Å; Y633-K637 PolarHBondContact O-N 2.83Å; E634-K637 PolarHBondContact O-N 3.45Å; H635-K637 VanDerWaalsContact C-N 3.34Å; H635-K637 PolarHBondContact O-N 3.12Å; K637-L639 VanDerWaalsContact C-N 3.27Å; K637-L639 PolarHBondContact O-N 2.86Å; K637-Q640 CarbonylContact O-C 3.57Å; K637-Q640 WeakPolarHBondContact O-CA 3.31Å; K637-Q640 WeakPolarHBondContact O-CB 3.37Å; K637-Q640 PolarHBondContact O-N 3.39Å; K637-D641 VanDerWaalsContact O-CG 3.28Å; K637-D641 PolarHBondContact O-N 2.87Å
638R96.1Very high96.1Very high157 Ų157105.4 Ų105.459%0.59248%0.48SS*.Hα-helixtrans-57.6-38.2177.3-66.8166.3-156.1-160.88.6112.2E634 H635 F642E634-R638 WeakPolarHBondContact O-CB 3.26Å; E634-R638 WeakPolarHBondContact O-CG 3.35Å; E634-R638 PolarHBondContact O-N 3.3Å; E634-R638 IonicContact OE2-CZ 3.74Å; E634-R638 IonicContact OE2-NH2 2.61Å; E634-R638 PolarHBondContact OE2-NH2 2.87Å; H635-R638 PolarHBondContact O-N 2.97Å; R638-F642 VanDerWaalsContact O-CB 3.31Å; R638-F642 WeakPolarHBondContact O-CB 3.45Å; R638-F642 PolarHBondContact O-N 2.89Å
639L96.3Very high96.1Very high68 Ų68107.2 Ų107.236%0.35649%0.486SS..Hα-helixtrans-68.3-37.117617960.9000112H635 N636 K637 K643H635-L639 WeakPolarHBondContact O-CB 3.25Å; H635-L639 PolarHBondContact O-N 3.37Å; N636-L639 PolarHBondContact O-N 3.34Å; K637-L639 VanDerWaalsContact C-N 3.27Å; K637-L639 PolarHBondContact O-N 2.86Å; L639-K643 VanDerWaalsContact O-CG 3.27Å; L639-K643 WeakPolarHBondContact O-CG 3.31Å; L639-K643 PolarHBondContact O-N 2.86Å
640Q95.5Very high96.1Very high86 Ų86110.9 Ų110.940%0.40249%0.489SS..Hα-helixtrans-68.7-48.3173.2-171.260.926.600111.2N636 K637 F642 K643 D644N636-Q640 WeakPolarHBondContact O-CB 3.21Å; N636-Q640 PolarHBondContact O-N 3.1Å; K637-Q640 CarbonylContact O-C 3.57Å; K637-Q640 WeakPolarHBondContact O-CA 3.31Å; K637-Q640 WeakPolarHBondContact O-CB 3.37Å; K637-Q640 PolarHBondContact O-N 3.39Å; Q640-F642 PolarHBondContact O-N 3.38Å; Q640-K643 CarbonylContact O-C 3.59Å; Q640-K643 WeakPolarHBondContact O-CB 3.49Å; Q640-K643 PolarHBondContact O-N 3.47Å; Q640-D644 PolarHBondContact NE2-OD1 3.14Å; Q640-D644 WeakPolarHBondContact O-CB 3.36Å; Q640-D644 PolarHBondContact O-N 3.33Å; Q640-D644 VanDerWaalsContact O-OD1 3.07Å
641D95.7Very high96Very high79 Ų79110 Ų11042%0.42250%0.495SS..Hα-helixtrans-54.8-41.4175.2-65.2-30.7000111.1K637 D644 C645K637-D641 VanDerWaalsContact O-CG 3.28Å; K637-D641 PolarHBondContact O-N 2.87Å; D641-D644 PolarHBondContact O-N 3.32Å; D641-C645 WeakPolarHBondContact O-CB 3.42Å; D641-C645 PolarHBondContact O-N 2.87Å; D641-C645 PolarHBondContact O-SG 3.41Å; D641-C645 VanDerWaalsContact O-SG 3.34Å
642F95.8Very high96Very high131 Ų131107.7 Ų107.758%0.57549%0.491SS*.Hα-helixtrans-64.7-44.8174.7-177.1-106000113.2R638 Q640 D644 C645 I646R638-F642 VanDerWaalsContact O-CB 3.31Å; R638-F642 WeakPolarHBondContact O-CB 3.45Å; R638-F642 PolarHBondContact O-N 2.89Å; Q640-F642 PolarHBondContact O-N 3.38Å; F642-D644 VanDerWaalsContact C-N 3.25Å; F642-D644 PolarHBondContact O-N 3.39Å; F642-C645 PolarHBondContact O-N 2.93Å; F642-I646 HydrophobicContact CD1-CD1 3.95Å; F642-I646 HydrophobicContact CE1-CD1 3.48Å; F642-I646 VanDerWaalsContact CE1-CD1 3.48Å; F642-I646 HydrophobicContact CE2-CD1 4.38Å; F642-I646 HydrophobicContact CZ-CD1 3.73Å; F642-I646 WeakPolarHBondContact O-CG1 3.35Å; F642-I646 PolarHBondContact O-N 2.85Å
643K96.6Very high96Very high97 Ų97106.8 Ų106.842%0.42249%0.487SS..Hα-helixtrans-60-38172.5-71164.6-175.8168.80111.2L639 Q640 I646 R647L639-K643 VanDerWaalsContact O-CG 3.27Å; L639-K643 WeakPolarHBondContact O-CG 3.31Å; L639-K643 PolarHBondContact O-N 2.86Å; Q640-K643 CarbonylContact O-C 3.59Å; Q640-K643 WeakPolarHBondContact O-CB 3.49Å; Q640-K643 PolarHBondContact O-N 3.47Å; K643-I646 PolarHBondContact O-N 2.98Å; K643-R647 VanDerWaalsContact C-NH1 3.28Å; K643-R647 WeakPolarHBondContact O-CG 3.09Å; K643-R647 PolarHBondContact O-N 3.09Å; K643-R647 PolarHBondContact O-NH1 3.18Å; K643-R647 VanDerWaalsContact O-NH1 3.17Å
644D95.4Very high96Very high37 Ų37102.7 Ų102.720%0.19848%0.482CS..Hα-helixtrans-70.7-43.8-179.8-8452.6000111.8Q640 D641 F642 I646 R647 R648Q640-D644 PolarHBondContact NE2-OD1 3.14Å; Q640-D644 WeakPolarHBondContact O-CB 3.36Å; Q640-D644 PolarHBondContact O-N 3.33Å; Q640-D644 VanDerWaalsContact O-OD1 3.07Å; D641-D644 PolarHBondContact O-N 3.32Å; F642-D644 VanDerWaalsContact C-N 3.25Å; F642-D644 PolarHBondContact O-N 3.39Å; D644-I646 VanDerWaalsContact C-N 3.31Å; D644-I646 PolarHBondContact O-N 3.06Å; D644-R647 PolarHBondContact O-N 3.01Å; D644-R647 VanDerWaalsContact O-N 3.17Å; D644-R647 IonicContact OD1-CZ 3.92Å; D644-R647 IonicContact OD1-NH1 2.83Å; D644-R647 PolarHBondContact OD1-NH1 3.32Å; D644-R647 IonicContact OD1-NH2 3.71Å; D644-R647 PolarHBondContact OD1-NH2 3.25Å; D644-R647 IonicContact OD2-CZ 3.65Å; D644-R647 IonicContact OD2-NH1 3.73Å; D644-R647 IonicContact OD2-NH2 2.95Å; D644-R647 PolarHBondContact OD2-NH2 3.25Å; D644-R648 WeakPolarHBondContact O-CB 3.32Å; D644-R648 VanDerWaalsContact O-CG 3.29Å; D644-R648 WeakPolarHBondContact O-CG 3.3Å; D644-R648 PolarHBondContact O-N 2.86Å
645C96.3Very high96Very high79 Ų79103.8 Ų103.853%0.53449%0.486SS..Hα-helixtrans-55.1-44.7169.4-75.70000111.9D641 F642 R648 Q649D641-C645 WeakPolarHBondContact O-CB 3.42Å; D641-C645 PolarHBondContact O-N 2.87Å; D641-C645 PolarHBondContact O-SG 3.41Å; D641-C645 VanDerWaalsContact O-SG 3.34Å; F642-C645 PolarHBondContact O-N 2.93Å; C645-R648 PolarHBondContact O-N 2.97Å; C645-Q649 VanDerWaalsContact O-CB 3.28Å; C645-Q649 WeakPolarHBondContact O-CB 3.41Å; C645-Q649 PolarHBondContact O-N 2.88Å
646I96.2Very high96Very high51 Ų51101.8 Ų101.826%0.26248%0.479SS..Hα-helixtrans-64.7-41.7176-69.9171.2000111.6F642 K643 D644 Q649 R650F642-I646 HydrophobicContact CD1-CD1 3.95Å; F642-I646 HydrophobicContact CE1-CD1 3.48Å; F642-I646 VanDerWaalsContact CE1-CD1 3.48Å; F642-I646 HydrophobicContact CE2-CD1 4.38Å; F642-I646 HydrophobicContact CZ-CD1 3.73Å; F642-I646 WeakPolarHBondContact O-CG1 3.35Å; F642-I646 PolarHBondContact O-N 2.85Å; K643-I646 PolarHBondContact O-N 2.98Å; D644-I646 VanDerWaalsContact C-N 3.31Å; D644-I646 PolarHBondContact O-N 3.06Å; I646-Q649 PolarHBondContact O-N 3.01Å; I646-R650 HydrophobicContact CG2-CG 4.43Å; I646-R650 WeakPolarHBondContact O-CB 3.42Å; I646-R650 VanDerWaalsContact O-CG 3.28Å; I646-R650 WeakPolarHBondContact O-CG 3.26Å; I646-R650 PolarHBondContact O-N 3.28Å
647R95.3Very high96Very high129 Ų129101.7 Ų101.749%0.48747%0.473SS..Hα-helixtrans-64.3-44.9176.7-70.3-163.5-46.8-68.68.5111.6K643 D644 R650 L651K643-R647 VanDerWaalsContact C-NH1 3.28Å; K643-R647 WeakPolarHBondContact O-CG 3.09Å; K643-R647 PolarHBondContact O-N 3.09Å; K643-R647 PolarHBondContact O-NH1 3.18Å; K643-R647 VanDerWaalsContact O-NH1 3.17Å; D644-R647 PolarHBondContact O-N 3.01Å; D644-R647 VanDerWaalsContact O-N 3.17Å; D644-R647 IonicContact OD1-CZ 3.92Å; D644-R647 IonicContact OD1-NH1 2.83Å; D644-R647 PolarHBondContact OD1-NH1 3.32Å; D644-R647 IonicContact OD1-NH2 3.71Å; D644-R647 PolarHBondContact OD1-NH2 3.25Å; D644-R647 IonicContact OD2-CZ 3.65Å; D644-R647 IonicContact OD2-NH1 3.73Å; D644-R647 IonicContact OD2-NH2 2.95Å; D644-R647 PolarHBondContact OD2-NH2 3.25Å; R647-R650 PolarHBondContact O-N 2.93Å; R647-L651 WeakPolarHBondContact O-CB 3.37Å; R647-L651 PolarHBondContact O-N 2.85Å
648R95.6Very high96Very high174 Ų17499.5 Ų99.566%0.65747%0.465SS*.Hα-helixtrans-59-51.1174.6-68.1173.3-167.3-160.24.6111D644 C645 R650 L651 T652D644-R648 WeakPolarHBondContact O-CB 3.32Å; D644-R648 VanDerWaalsContact O-CG 3.29Å; D644-R648 WeakPolarHBondContact O-CG 3.3Å; D644-R648 PolarHBondContact O-N 2.86Å; C645-R648 PolarHBondContact O-N 2.97Å; R648-R650 PolarHBondContact O-N 2.89Å; R648-L651 PolarHBondContact O-N 2.96Å; R648-L651 VanDerWaalsContact O-N 3.13Å; R648-T652 PolarHBondContact O-N 3.38Å; R648-T652 PolarHBondContact O-OG1 3.12Å; R648-T652 VanDerWaalsContact O-OG1 3.1Å
649Q95.8Very high95.9Very high115 Ų11595.1 Ų95.154%0.53745%0.453SS..Hα-helixtrans-58.2-43.5178.8-170.6-172.639.600112.4C645 I646 T652 Q653C645-Q649 VanDerWaalsContact O-CB 3.28Å; C645-Q649 WeakPolarHBondContact O-CB 3.41Å; C645-Q649 PolarHBondContact O-N 2.88Å; I646-Q649 PolarHBondContact O-N 3.01Å; Q649-T652 PolarHBondContact O-N 3.46Å; Q649-Q653 WeakPolarHBondContact O-CB 3.39Å; Q649-Q653 WeakPolarHBondContact O-CG 3.4Å; Q649-Q653 PolarHBondContact O-N 2.91Å
650R96.4Very high95.9Very high171 Ų171100.1 Ų100.165%0.64547%0.467SS*.Hα-helixtrans-64.3-40.7175.9-73.9176.1-176.6-1713112.1I646 R647 R648 Q653 S654I646-R650 HydrophobicContact CG2-CG 4.43Å; I646-R650 WeakPolarHBondContact O-CB 3.42Å; I646-R650 VanDerWaalsContact O-CG 3.28Å; I646-R650 WeakPolarHBondContact O-CG 3.26Å; I646-R650 PolarHBondContact O-N 3.28Å; R647-R650 PolarHBondContact O-N 2.93Å; R648-R650 PolarHBondContact O-N 2.89Å; R650-Q653 PolarHBondContact O-N 3.38Å; R650-S654 WeakPolarHBondContact O-CB 3.33Å; R650-S654 PolarHBondContact O-N 2.79Å
651L96.4Very high96Very high125 Ų125101 Ų10165%0.65447%0.472SS*.Hα-helixtrans-64-47.1176.6-177.5142.2000111.3R647 R648 Q653 S654 K655R647-L651 WeakPolarHBondContact O-CB 3.37Å; R647-L651 PolarHBondContact O-N 2.85Å; R648-L651 PolarHBondContact O-N 2.96Å; R648-L651 VanDerWaalsContact O-N 3.13Å; L651-Q653 PolarHBondContact O-N 3.34Å; L651-S654 WeakPolarHBondContact O-CB 3.5Å; L651-S654 PolarHBondContact O-N 3.12Å; L651-K655 PolarHBondContact O-N 3.06Å
652T95.2Very high95.9Very high78 Ų78101.4 Ų101.448%0.47947%0.471SS..Hα-helixtrans-60.1-45174.7-52.70000111.7R648 Q649 S654 K655 I656R648-T652 PolarHBondContact O-N 3.38Å; R648-T652 PolarHBondContact O-OG1 3.12Å; R648-T652 VanDerWaalsContact O-OG1 3.1Å; Q649-T652 PolarHBondContact O-N 3.46Å; T652-S654 VanDerWaalsContact C-N 3.34Å; T652-S654 PolarHBondContact O-N 3.37Å; T652-K655 PolarHBondContact O-N 3.49Å; T652-I656 HydrophobicContact CG2-CD1 3.93Å; T652-I656 WeakPolarHBondContact O-CB 3.42Å; T652-I656 VanDerWaalsContact O-CG1 3.28Å; T652-I656 WeakPolarHBondContact O-CG1 3.34Å; T652-I656 PolarHBondContact O-N 2.99Å
653Q96.3Very high96Very high100 Ų10099.6 Ų99.647%0.46747%0.466SS..Hα-helixtrans-62.9-38.3175.4-75.7-178.58.500112.7Q649 R650 L651 K657Q649-Q653 WeakPolarHBondContact O-CB 3.39Å; Q649-Q653 WeakPolarHBondContact O-CG 3.4Å; Q649-Q653 PolarHBondContact O-N 2.91Å; R650-Q653 PolarHBondContact O-N 3.38Å; L651-Q653 PolarHBondContact O-N 3.34Å; Q653-K657 WeakPolarHBondContact O-CG 3.33Å; Q653-K657 PolarHBondContact O-N 2.85Å
654S95.4Very high96Very high76 Ų7699.6 Ų99.653%0.53147%0.474SS..Hα-helixtrans-63.6-47.7175.4-163.40000110.9R650 L651 T652 I656 K657 E658R650-S654 WeakPolarHBondContact O-CB 3.33Å; R650-S654 PolarHBondContact O-N 2.79Å; L651-S654 WeakPolarHBondContact O-CB 3.5Å; L651-S654 PolarHBondContact O-N 3.12Å; T652-S654 VanDerWaalsContact C-N 3.34Å; T652-S654 PolarHBondContact O-N 3.37Å; S654-I656 PolarHBondContact O-N 3.36Å; S654-K657 WeakPolarHBondContact O-CB 3.43Å; S654-K657 PolarHBondContact O-N 3.14Å; S654-K657 VanDerWaalsContact O-N 3.14Å; S654-E658 PolarHBondContact O-N 3.07Å
655K97.3Very high96.1Very high96 Ų96104.3 Ų104.342%0.41749%0.489SS..Hα-helixtrans-64.1-39177.8-161.673.6-159.8168.10112.3L651 T652 K657 E658 N659L651-K655 PolarHBondContact O-N 3.06Å; T652-K655 PolarHBondContact O-N 3.49Å; K655-K657 VanDerWaalsContact C-N 3.35Å; K655-K657 PolarHBondContact O-N 2.76Å; K655-E658 WeakPolarHBondContact CD-OE2 3.47Å; K655-E658 WeakPolarHBondContact CE-OE2 3.37Å; K655-E658 VanDerWaalsContact NZ-CD 3.3Å; K655-E658 IonicContact NZ-OE1 3.76Å; K655-E658 PolarHBondContact NZ-OE1 3.01Å; K655-E658 IonicContact NZ-OE2 3.71Å; K655-E658 PolarHBondContact NZ-OE2 3.44Å; K655-E658 PolarHBondContact O-N 3.06Å; K655-N659 WeakPolarHBondContact CE-OD1 3.48Å; K655-N659 WeakPolarHBondContact O-CB 3.48Å; K655-N659 PolarHBondContact O-N 2.95Å; K655-N659 PolarHBondContact O-OD1 2.83Å; K655-N659 VanDerWaalsContact O-OD1 3.12Å
656I95.4Very high96.1Very high76 Ų76102.7 Ų102.739%0.3948%0.482SS..Hα-helixtrans-62.3-40.7173.1-70.2166.9000111.3T652 S654 R660T652-I656 HydrophobicContact CG2-CD1 3.93Å; T652-I656 WeakPolarHBondContact O-CB 3.42Å; T652-I656 VanDerWaalsContact O-CG1 3.28Å; T652-I656 WeakPolarHBondContact O-CG1 3.34Å; T652-I656 PolarHBondContact O-N 2.99Å; S654-I656 PolarHBondContact O-N 3.36Å; I656-R660 WeakPolarHBondContact O-CB 3.2Å; I656-R660 WeakPolarHBondContact O-CG 3.32Å; I656-R660 PolarHBondContact O-N 3.18Å
657K95.9Very high96.1Very high94 Ų94108.3 Ų108.341%0.40950%0.5SS..Hα-helixtrans-65-43.2174.4-76.3175.4175.3-175.10111.8N352 Q653 S654 K655 R660 Q661N352-K657 PolarHBondContact ND2-NZ 2.73Å; N352-K657 PolarHBondContact OD1-NZ 3.37Å; Q653-K657 WeakPolarHBondContact O-CG 3.33Å; Q653-K657 PolarHBondContact O-N 2.85Å; S654-K657 WeakPolarHBondContact O-CB 3.43Å; S654-K657 PolarHBondContact O-N 3.14Å; S654-K657 VanDerWaalsContact O-N 3.14Å; K655-K657 VanDerWaalsContact C-N 3.35Å; K655-K657 PolarHBondContact O-N 2.76Å; K657-R660 PolarHBondContact O-N 2.75Å; K657-Q661 WeakPolarHBondContact O-CG 3.27Å; K657-Q661 PolarHBondContact O-N 2.76Å
658E96.6Very high96.2Very high70 Ų70108 Ų10833%0.32750%0.502SS..Hα-helixtrans-61.7-51.2176.7-165.9-159152.600111.4S654 K655 R660 Q661 Q662S654-E658 PolarHBondContact O-N 3.07Å; K655-E658 WeakPolarHBondContact CD-OE2 3.47Å; K655-E658 WeakPolarHBondContact CE-OE2 3.37Å; K655-E658 VanDerWaalsContact NZ-CD 3.3Å; K655-E658 IonicContact NZ-OE1 3.76Å; K655-E658 PolarHBondContact NZ-OE1 3.01Å; K655-E658 IonicContact NZ-OE2 3.71Å; K655-E658 PolarHBondContact NZ-OE2 3.44Å; K655-E658 PolarHBondContact O-N 3.06Å; E658-R660 VanDerWaalsContact C-N 3.29Å; E658-R660 PolarHBondContact O-N 2.69Å; E658-Q661 CarbonylContact O-C 3.59Å; E658-Q661 WeakPolarHBondContact O-CA 3.46Å; E658-Q661 WeakPolarHBondContact O-CB 3.29Å; E658-Q661 PolarHBondContact O-N 2.88Å; E658-Q662 WeakPolarHBondContact O-CG 3.37Å; E658-Q662 PolarHBondContact O-N 3.02Å; E658-Q662 PolarHBondContact OE1-NE2 2.93Å
659N95.7Very high96.3Very high65 Ų65107 Ų10735%0.34850%0.499SS..Hα-helixtrans-58.9-40.7178.3-67.810.3000111.1K655 Q661 Q662 I663K655-N659 WeakPolarHBondContact CE-OD1 3.48Å; K655-N659 WeakPolarHBondContact O-CB 3.48Å; K655-N659 PolarHBondContact O-N 2.95Å; K655-N659 PolarHBondContact O-OD1 2.83Å; K655-N659 VanDerWaalsContact O-OD1 3.12Å; N659-Q661 PolarHBondContact O-N 2.87Å; N659-Q662 PolarHBondContact O-N 3.45Å; N659-I663 VanDerWaalsContact O-CG1 3.28Å; N659-I663 WeakPolarHBondContact O-CG1 3.37Å; N659-I663 PolarHBondContact O-N 2.94Å
660R95.8Very high96.4Very high173 Ų173108.6 Ų108.665%0.65350%0.501SS*.Hα-helixtrans-60.4-42.6172.5-75.3171.8-177.7-1641112.2I656 K657 E658 I663 V664I656-R660 WeakPolarHBondContact O-CB 3.2Å; I656-R660 WeakPolarHBondContact O-CG 3.32Å; I656-R660 PolarHBondContact O-N 3.18Å; K657-R660 PolarHBondContact O-N 2.75Å; E658-R660 VanDerWaalsContact C-N 3.29Å; E658-R660 PolarHBondContact O-N 2.69Å; R660-I663 PolarHBondContact O-N 2.83Å; R660-V664 VanDerWaalsContact O-CG2 3.32Å; R660-V664 WeakPolarHBondContact O-CG2 3.46Å; R660-V664 PolarHBondContact O-N 3.25Å
661Q96.5Very high96.5Very high105 Ų105104.4 Ų104.449%0.49149%0.491SS..Hα-helixtrans-65.7-39.8174.4-69.1-179.312.300112.5K657 E658 N659 V664 R665K657-Q661 WeakPolarHBondContact O-CG 3.27Å; K657-Q661 PolarHBondContact O-N 2.76Å; E658-Q661 CarbonylContact O-C 3.59Å; E658-Q661 WeakPolarHBondContact O-CA 3.46Å; E658-Q661 WeakPolarHBondContact O-CB 3.29Å; E658-Q661 PolarHBondContact O-N 2.88Å; N659-Q661 PolarHBondContact O-N 2.87Å; Q661-V664 PolarHBondContact O-N 2.85Å; Q661-R665 WeakPolarHBondContact O-CB 3.25Å; Q661-R665 WeakPolarHBondContact O-CG 3.44Å; Q661-R665 PolarHBondContact O-N 3.48Å; Q661-R665 VanDerWaalsContact OE1-NH1 3.12Å
662Q95Very high96.5Very high87 Ų87101.6 Ų101.641%0.40748%0.477SS..Hα-helixtrans-61.5-46.3175.9-67.7-179.85.300110.9E658 N659 V664 R665 A666E658-Q662 WeakPolarHBondContact O-CG 3.37Å; E658-Q662 PolarHBondContact O-N 3.02Å; E658-Q662 PolarHBondContact OE1-NE2 2.93Å; N659-Q662 PolarHBondContact O-N 3.45Å; Q662-V664 PolarHBondContact O-N 3.4Å; Q662-R665 PolarHBondContact O-N 3.25Å; Q662-A666 WeakPolarHBondContact O-CB 3.27Å; Q662-A666 PolarHBondContact O-N 2.91Å
663I96.5Very high96.6Very high93 Ų93103.7 Ų103.748%0.47748%0.477SS..Hα-helixtrans-61.1-41.8175.6-67.8163.2000111.4N659 R660 A666 R667N659-I663 VanDerWaalsContact O-CG1 3.28Å; N659-I663 WeakPolarHBondContact O-CG1 3.37Å; N659-I663 PolarHBondContact O-N 2.94Å; R660-I663 PolarHBondContact O-N 2.83Å; I663-A666 PolarHBondContact O-N 3.46Å; I663-R667 HydrophobicContact CG2-CG 4.43Å; I663-R667 WeakPolarHBondContact O-CB 3.48Å; I663-R667 VanDerWaalsContact O-CG 3.31Å; I663-R667 WeakPolarHBondContact O-CG 3.3Å; I663-R667 PolarHBondContact O-N 3.5Å
664V96.6Very high96.7Very high97 Ų97107.1 Ų107.159%0.58849%0.486SS*.Hα-helixtrans-67.1-40176.4169.50000111.7R660 Q661 Q662 K668R660-V664 VanDerWaalsContact O-CG2 3.32Å; R660-V664 WeakPolarHBondContact O-CG2 3.46Å; R660-V664 PolarHBondContact O-N 3.25Å; Q661-V664 PolarHBondContact O-N 2.85Å; Q662-V664 PolarHBondContact O-N 3.4Å; V664-K668 WeakPolarHBondContact O-CB 3.43Å; V664-K668 PolarHBondContact O-N 3.35Å
665R97.7Very high96.8Very high137 Ų137108.4 Ų108.452%0.51749%0.49SS..Hα-helixtrans-62.5-45.6174.1-76-174.1-71.1-104.33.7111.5Q661 Q662 K668 Y669Q661-R665 WeakPolarHBondContact O-CB 3.25Å; Q661-R665 WeakPolarHBondContact O-CG 3.44Å; Q661-R665 PolarHBondContact O-N 3.48Å; Q661-R665 VanDerWaalsContact OE1-NH1 3.12Å; Q662-R665 PolarHBondContact O-N 3.25Å; R665-K668 PolarHBondContact O-N 3.06Å; R665-Y669 PolarHBondContact O-N 3.09Å
666A96.8Very high96.7Very high45 Ų45110 Ų11037%0.37250%0.499SS..Hα-helixtrans-64-47.5177.600000112.1Q662 I663 K668 Y669 Y670Q662-A666 WeakPolarHBondContact O-CB 3.27Å; Q662-A666 PolarHBondContact O-N 2.91Å; I663-A666 PolarHBondContact O-N 3.46Å; A666-K668 PolarHBondContact O-N 2.94Å; A666-Y669 WeakPolarHBondContact O-CB 3.4Å; A666-Y669 PolarHBondContact O-N 3.03Å; A666-Y670 WeakPolarHBondContact O-CD2 3.33Å; A666-Y670 PolarHBondContact O-N 2.71Å
667R97.1Very high96.8Very high169 Ų169110.3 Ų110.364%0.63850%0.501SS*.Hα-helixtrans-57.6-49.4175.4-75.5174.9-179.7-93.30.1111.4I663 Y669 Y670 D671I663-R667 HydrophobicContact CG2-CG 4.43Å; I663-R667 WeakPolarHBondContact O-CB 3.48Å; I663-R667 VanDerWaalsContact O-CG 3.31Å; I663-R667 WeakPolarHBondContact O-CG 3.3Å; I663-R667 PolarHBondContact O-N 3.5Å; R667-Y669 VanDerWaalsContact C-N 3.3Å; R667-Y669 PolarHBondContact O-N 2.81Å; R667-Y670 PolarHBondContact O-N 2.89Å; R667-Y670 VanDerWaalsContact O-N 3.14Å; R667-D671 PolarHBondContact O-N 3.39Å
668K97.3Very high96.7Very high122 Ų122111.3 Ų111.353%0.5351%0.507SS..Hα-helixtrans-56.9-42.8176.3-169.1-175-176.6-78.40111.9V664 R665 A666 D671 D672V664-K668 WeakPolarHBondContact O-CB 3.43Å; V664-K668 PolarHBondContact O-N 3.35Å; R665-K668 PolarHBondContact O-N 3.06Å; A666-K668 PolarHBondContact O-N 2.94Å; K668-D671 PolarHBondContact O-N 2.85Å; K668-D672 IonicContact NZ-OD1 2.99Å; K668-D672 PolarHBondContact NZ-OD1 3.36Å; K668-D672 IonicContact NZ-OD2 3.57Å; K668-D672 PolarHBondContact NZ-OD2 2.66Å; K668-D672 VanDerWaalsContact O-CB 3.25Å; K668-D672 WeakPolarHBondContact O-CB 3.33Å; K668-D672 PolarHBondContact O-N 2.88Å
669Y97.6Very high96.7Very high153 Ų153109.8 Ų109.860%0.651%0.506SS*.Hα-helixtrans-60.3-46176.7175.3-95.5000112.3R665 A666 R667 Y673R665-Y669 PolarHBondContact O-N 3.09Å; A666-Y669 WeakPolarHBondContact O-CB 3.4Å; A666-Y669 PolarHBondContact O-N 3.03Å; R667-Y669 VanDerWaalsContact C-N 3.3Å; R667-Y669 PolarHBondContact O-N 2.81Å; Y669-Y673 WeakPolarHBondContact O-CB 3.39Å; Y669-Y673 PolarHBondContact O-N 3.47Å
670Y97.8Very high96.8Very high149 Ų149112.8 Ų112.858%0.58452%0.516SS*.Hα-helixtrans-65.6-40176.4-75.6-66.5000112.9A666 R667 Y673 R674A666-Y670 WeakPolarHBondContact O-CD2 3.33Å; A666-Y670 PolarHBondContact O-N 2.71Å; R667-Y670 PolarHBondContact O-N 2.89Å; R667-Y670 VanDerWaalsContact O-N 3.14Å; Y670-Y673 PolarHBondContact O-N 2.91Å; Y670-R674 WeakPolarHBondContact O-CB 3.28Å; Y670-R674 VanDerWaalsContact O-CG 3.22Å; Y670-R674 WeakPolarHBondContact O-CG 3.33Å; Y670-R674 PolarHBondContact O-N 3.26Å
671D96.9Very high96.8Very high82 Ų82109.2 Ų109.244%0.43951%0.508SS..Hα-helixtrans-69.2-45.2178.3-68.2-39.4000111.5R667 K668 Y673 R674 V675R667-D671 PolarHBondContact O-N 3.39Å; K668-D671 PolarHBondContact O-N 2.85Å; D671-Y673 VanDerWaalsContact C-N 3.33Å; D671-Y673 PolarHBondContact O-N 2.98Å; D671-R674 PolarHBondContact O-N 3.3Å; D671-R674 IonicContact OD1-NH1 2.69Å; D671-V675 WeakPolarHBondContact O-CG2 3.44Å; D671-V675 PolarHBondContact O-N 3.43Å
672D96.9Very high96.7Very high67 Ų67107.9 Ų107.936%0.35850%0.503SS..Hα-helixtrans-57.8-44.4172.6-72.7-18.5000110.8K668 V675 Q676K668-D672 IonicContact NZ-OD1 2.99Å; K668-D672 PolarHBondContact NZ-OD1 3.36Å; K668-D672 IonicContact NZ-OD2 3.57Å; K668-D672 PolarHBondContact NZ-OD2 2.66Å; K668-D672 VanDerWaalsContact O-CB 3.25Å; K668-D672 WeakPolarHBondContact O-CB 3.33Å; K668-D672 PolarHBondContact O-N 2.88Å; D672-V675 PolarHBondContact O-N 2.91Å; D672-Q676 VanDerWaalsContact O-CG 3.29Å; D672-Q676 WeakPolarHBondContact O-CG 3.36Å; D672-Q676 PolarHBondContact O-N 3.34Å
673Y97.5Very high96.7Very high122 Ų122112.2 Ų112.248%0.47852%0.515SS..Hα-helixtrans-64.4-43177.8177.8-101.1000112.4Y669 Y670 D671 V675 Q676 L677Y669-Y673 WeakPolarHBondContact O-CB 3.39Å; Y669-Y673 PolarHBondContact O-N 3.47Å; Y670-Y673 PolarHBondContact O-N 2.91Å; D671-Y673 VanDerWaalsContact C-N 3.33Å; D671-Y673 PolarHBondContact O-N 2.98Å; Y673-V675 VanDerWaalsContact C-N 3.34Å; Y673-V675 PolarHBondContact O-N 3.43Å; Y673-Q676 PolarHBondContact O-N 2.96Å; Y673-L677 HydrophobicContact CE1-CD2 4.5Å; Y673-L677 WeakPolarHBondContact O-CB 3.19Å; Y673-L677 PolarHBondContact O-N 3.48Å
674R97.6Very high96.6Very high172 Ų172110.8 Ų110.865%0.64951%0.508SS*.Hα-helixtrans-62-41.6175.6-74.6171.373.3-1494.8111.6Y670 D671 L677 H678Y670-R674 WeakPolarHBondContact O-CB 3.28Å; Y670-R674 VanDerWaalsContact O-CG 3.22Å; Y670-R674 WeakPolarHBondContact O-CG 3.33Å; Y670-R674 PolarHBondContact O-N 3.26Å; D671-R674 PolarHBondContact O-N 3.3Å; D671-R674 IonicContact OD1-NH1 2.69Å; R674-L677 PolarHBondContact O-N 2.86Å; R674-H678 WeakPolarHBondContact O-CB 3.25Å; R674-H678 PolarHBondContact O-N 2.91Å
675V97.4Very high96.6Very high102 Ų102112.8 Ų112.862%0.61851%0.505SS*.Hα-helixtrans-65-41.9174.9172.40000111.2D671 D672 Y673 H678 A679D671-V675 WeakPolarHBondContact O-CG2 3.44Å; D671-V675 PolarHBondContact O-N 3.43Å; D672-V675 PolarHBondContact O-N 2.91Å; Y673-V675 VanDerWaalsContact C-N 3.34Å; Y673-V675 PolarHBondContact O-N 3.43Å; V675-H678 PolarHBondContact O-N 3.34Å; V675-A679 VanDerWaalsContact O-CB 3.25Å; V675-A679 WeakPolarHBondContact O-CB 3.4Å; V675-A679 PolarHBondContact O-N 2.89Å
676Q96.8Very high96.5Very high131 Ų131110 Ų11061%0.61250%0.503SS*.Hα-helixtrans-63.1-43.6175.3-73.7173.736.800112.5D672 Y673 A679 K680D672-Q676 VanDerWaalsContact O-CG 3.29Å; D672-Q676 WeakPolarHBondContact O-CG 3.36Å; D672-Q676 PolarHBondContact O-N 3.34Å; Y673-Q676 PolarHBondContact O-N 2.96Å; Q676-A679 PolarHBondContact O-N 3.48Å; Q676-K680 WeakPolarHBondContact O-CB 3.33Å; Q676-K680 PolarHBondContact O-N 2.91Å
677L96Very high96.5Very high81 Ų81115.1 Ų115.142%0.42451%0.512SS..Hα-helixtrans-65-44.7177.5-178.759.6000111.4Y673 R674 K680 M681Y673-L677 HydrophobicContact CE1-CD2 4.5Å; Y673-L677 WeakPolarHBondContact O-CB 3.19Å; Y673-L677 PolarHBondContact O-N 3.48Å; R674-L677 PolarHBondContact O-N 2.86Å; L677-K680 WeakPolarHBondContact O-CB 3.39Å; L677-K680 PolarHBondContact O-N 2.9Å; L677-M681 HydrophobicContact CD1-CG 4.42Å; L677-M681 VanDerWaalsContact O-CG 3.26Å; L677-M681 WeakPolarHBondContact O-CG 3.41Å; L677-M681 PolarHBondContact O-N 3.2Å
678H94.9Very high96.5Very high115 Ų115112.3 Ų112.353%0.53251%0.507SS..Hα-helixtrans-61.5-44.3174.8-175.2-92.6000111.8R674 V675 K680 M681 M682R674-H678 WeakPolarHBondContact O-CB 3.25Å; R674-H678 PolarHBondContact O-N 2.91Å; V675-H678 PolarHBondContact O-N 3.34Å; H678-K680 VanDerWaalsContact C-N 3.34Å; H678-K680 PolarHBondContact O-N 2.65Å; H678-M681 PolarHBondContact O-N 3.47Å; H678-M682 VanDerWaalsContact NE2-CE 3.33Å; H678-M682 WeakPolarHBondContact NE2-CE 3.28Å; H678-M682 WeakPolarHBondContact O-CG 3.36Å; H678-M682 PolarHBondContact O-N 3.48Å
679A96.8Very high96.4Very high38 Ų38111 Ų11131%0.31450%0.502SS..Hα-helixtrans-64.5-36175.600000112.6V675 Q676 R683V675-A679 VanDerWaalsContact O-CB 3.25Å; V675-A679 WeakPolarHBondContact O-CB 3.4Å; V675-A679 PolarHBondContact O-N 2.89Å; Q676-A679 PolarHBondContact O-N 3.48Å; A679-R683 WeakPolarHBondContact O-CB 3.14Å; A679-R683 WeakPolarHBondContact O-CG 3.23Å; A679-R683 PolarHBondContact O-N 3.41Å
680K97.1Very high96.4Very high128 Ų128108.6 Ų108.656%0.55750%0.498SS*.Hα-helixtrans-63.5-46.1172-177.1-176.8176.3-1740110.9Q676 L677 H678 R683 M684Q676-K680 WeakPolarHBondContact O-CB 3.33Å; Q676-K680 PolarHBondContact O-N 2.91Å; L677-K680 WeakPolarHBondContact O-CB 3.39Å; L677-K680 PolarHBondContact O-N 2.9Å; H678-K680 VanDerWaalsContact C-N 3.34Å; H678-K680 PolarHBondContact O-N 2.65Å; K680-R683 PolarHBondContact O-N 2.99Å; K680-M684 WeakPolarHBondContact O-CG 3.45Å; K680-M684 PolarHBondContact O-N 2.96Å
681M95.4Very high96.4Very high98 Ų98106.4 Ų106.448%0.48350%0.495SS..Hα-helixtrans-66.6-42.1-179.3-66.4-92.358.700112.2L677 H678 R683 M684 R685L677-M681 HydrophobicContact CD1-CG 4.42Å; L677-M681 VanDerWaalsContact O-CG 3.26Å; L677-M681 WeakPolarHBondContact O-CG 3.41Å; L677-M681 PolarHBondContact O-N 3.2Å; H678-M681 PolarHBondContact O-N 3.47Å; M681-R683 VanDerWaalsContact C-N 3.34Å; M681-R683 PolarHBondContact O-N 3.45Å; M681-M684 HydrophobicContact CE-CB 4.4Å; M681-M684 HydrophobicContact CE-CG 4.39Å; M681-M684 PolarHBondContact O-N 3.49Å; M681-M684 VanDerWaalsContact O-N 3.12Å; M681-R685 PolarHBondContact O-N 3Å
682M94.6Very high96.4Very high77 Ų77109.4 Ų109.438%0.37950%0.504SS..Hα-helixtrans-62.3-39.8172.9-69.8-62.6170.600111.9H678 M684 R685 T686H678-M682 VanDerWaalsContact NE2-CE 3.33Å; H678-M682 WeakPolarHBondContact NE2-CE 3.28Å; H678-M682 WeakPolarHBondContact O-CG 3.36Å; H678-M682 PolarHBondContact O-N 3.48Å; M682-M684 VanDerWaalsContact C-N 3.29Å; M682-M684 PolarHBondContact O-N 3.48Å; M682-R685 PolarHBondContact O-N 3.32Å; M682-T686 PolarHBondContact O-N 3.35Å; M682-T686 PolarHBondContact O-OG1 3.03Å; M682-T686 VanDerWaalsContact O-OG1 3.06Å
683R96.4Very high96.5Very high179 Ų179111.8 Ų111.868%0.67551%0.512SS*.Hα-helixtrans-64.1-29.5173.1-74.3170.3-176-174.11.8113.5A679 K680 M681 R687A679-R683 WeakPolarHBondContact O-CB 3.14Å; A679-R683 WeakPolarHBondContact O-CG 3.23Å; A679-R683 PolarHBondContact O-N 3.41Å; K680-R683 PolarHBondContact O-N 2.99Å; M681-R683 VanDerWaalsContact C-N 3.34Å; M681-R683 PolarHBondContact O-N 3.45Å; R683-R687 VanDerWaalsContact O-CD 3.25Å; R683-R687 WeakPolarHBondContact O-CD 3.24Å; R683-R687 WeakPolarHBondContact O-CG 3.44Å; R683-R687 PolarHBondContact O-N 3.47Å
684M94.7Very high96.5Very high63 Ų63111.2 Ų111.231%0.3151%0.512SS..Hα-helixtrans-73.4-47.6172.6-63.6-47.3-143.800110.7K680 M681 M682 T686 R687 E688K680-M684 WeakPolarHBondContact O-CG 3.45Å; K680-M684 PolarHBondContact O-N 2.96Å; M681-M684 HydrophobicContact CE-CB 4.4Å; M681-M684 HydrophobicContact CE-CG 4.39Å; M681-M684 PolarHBondContact O-N 3.49Å; M681-M684 VanDerWaalsContact O-N 3.12Å; M682-M684 VanDerWaalsContact C-N 3.29Å; M682-M684 PolarHBondContact O-N 3.48Å; M684-T686 PolarHBondContact O-N 3.14Å; M684-R687 CarbonylContact O-C 3.57Å; M684-R687 WeakPolarHBondContact O-CA 3.07Å; M684-R687 WeakPolarHBondContact O-CB 3.27Å; M684-R687 PolarHBondContact O-N 2.97Å; M684-E688 WeakPolarHBondContact O-CG 3.43Å; M684-E688 PolarHBondContact O-N 2.98Å
685R94.8Very high96.5Very high139 Ų139107.9 Ų107.953%0.52551%0.506SS..Hα-helixtrans-54-48.4174.8-69.9178.7179.5-174.8-3.3112.8M681 M682 R687 E688 E689M681-R685 PolarHBondContact O-N 3Å; M682-R685 PolarHBondContact O-N 3.32Å; R685-R687 PolarHBondContact O-N 3.2Å; R685-E688 WeakPolarHBondContact CA-OE2 3.49Å; R685-E688 PolarHBondContact O-N 3.37Å; R685-E688 VanDerWaalsContact O-N 3.14Å; R685-E689 WeakPolarHBondContact O-CB 3.3Å; R685-E689 VanDerWaalsContact O-CG 3.26Å; R685-E689 WeakPolarHBondContact O-CG 3.31Å; R685-E689 PolarHBondContact O-N 3.15Å
686T96.1Very high96.6Very high78 Ų78109 Ų10948%0.47950%0.503SS..Hα-helixtrans-64.1-24176.4-51.50000113.4M682 M684 M690M682-T686 PolarHBondContact O-N 3.35Å; M682-T686 PolarHBondContact O-OG1 3.03Å; M682-T686 VanDerWaalsContact O-OG1 3.06Å; M684-T686 PolarHBondContact O-N 3.14Å; T686-M690 VanDerWaalsContact O-CB 3.3Å; T686-M690 WeakPolarHBondContact O-CB 3.37Å; T686-M690 PolarHBondContact O-N 2.9Å
687R96.9Very high96.6Very high152 Ų152108 Ų10857%0.57450%0.498SS*.Hα-helixtrans-78.6-43171.5-72.3164.3173.6-168.7-8.6111.6R683 M684 R685 M690 I691R683-R687 VanDerWaalsContact O-CD 3.25Å; R683-R687 WeakPolarHBondContact O-CD 3.24Å; R683-R687 WeakPolarHBondContact O-CG 3.44Å; R683-R687 PolarHBondContact O-N 3.47Å; M684-R687 CarbonylContact O-C 3.57Å; M684-R687 WeakPolarHBondContact O-CA 3.07Å; M684-R687 WeakPolarHBondContact O-CB 3.27Å; M684-R687 PolarHBondContact O-N 2.97Å; R685-R687 PolarHBondContact O-N 3.2Å; R687-M690 PolarHBondContact O-N 3.39Å; R687-I691 VanDerWaalsContact O-CG1 3.28Å; R687-I691 WeakPolarHBondContact O-CG1 3.2Å; R687-I691 PolarHBondContact O-N 2.85Å
688E96.5Very high96.7Very high111 Ų111109.1 Ų109.152%0.51950%0.501SS..Hα-helixtrans-60.1-47.3175.1-69.6148.1-161.900110.4M684 R685 M690 I691 F692M684-E688 WeakPolarHBondContact O-CG 3.43Å; M684-E688 PolarHBondContact O-N 2.98Å; R685-E688 WeakPolarHBondContact CA-OE2 3.49Å; R685-E688 PolarHBondContact O-N 3.37Å; R685-E688 VanDerWaalsContact O-N 3.14Å; E688-M690 VanDerWaalsContact C-N 3.33Å; E688-M690 PolarHBondContact O-N 3.34Å; E688-I691 PolarHBondContact O-N 2.89Å; E688-F692 WeakPolarHBondContact O-CB 3.41Å; E688-F692 PolarHBondContact O-N 3.27Å
689E96Very high96.9Very high93 Ų93105.1 Ų105.144%0.43549%0.491SS..Hα-helixtrans-57.8-40171.2-71.7165.7-143.500112.9R685 K693R685-E689 WeakPolarHBondContact O-CB 3.3Å; R685-E689 VanDerWaalsContact O-CG 3.26Å; R685-E689 WeakPolarHBondContact O-CG 3.31Å; R685-E689 PolarHBondContact O-N 3.15Å; E689-K693 WeakPolarHBondContact O-CB 3.26Å; E689-K693 VanDerWaalsContact O-CG 3.26Å; E689-K693 WeakPolarHBondContact O-CG 3.49Å; E689-K693 PolarHBondContact O-N 3.03Å
690M97.1Very high96.9Very high104 Ų104106.2 Ų106.251%0.51249%0.491SS..Hα-helixtrans-71-38.2178.3-175.4-172.5-62.700111.9T686 R687 E688 K694T686-M690 VanDerWaalsContact O-CB 3.3Å; T686-M690 WeakPolarHBondContact O-CB 3.37Å; T686-M690 PolarHBondContact O-N 2.9Å; R687-M690 PolarHBondContact O-N 3.39Å; E688-M690 VanDerWaalsContact C-N 3.33Å; E688-M690 PolarHBondContact O-N 3.34Å; M690-K694 WeakPolarHBondContact O-CG 3.5Å; M690-K694 PolarHBondContact O-N 3.25Å; M690-K694 VanDerWaalsContact O-N 3.11Å
691I97.5Very high97Very high102 Ų102104.3 Ų104.352%0.52349%0.487SS..Hα-helixtrans-65.6-46.2174-69.2162.1000109.4R687 E688 K693 K694 L695R687-I691 VanDerWaalsContact O-CG1 3.28Å; R687-I691 WeakPolarHBondContact O-CG1 3.2Å; R687-I691 PolarHBondContact O-N 2.85Å; E688-I691 PolarHBondContact O-N 2.89Å; I691-K693 PolarHBondContact O-N 2.84Å; I691-K694 PolarHBondContact O-N 2.86Å; I691-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CG 4.33Å; I691-L695 WeakPolarHBondContact O-CB 3.37Å; I691-L695 WeakPolarHBondContact O-CG 3.25Å; I691-L695 PolarHBondContact O-N 3.48Å
692F98.1Very high97.1Very high145 Ų145104 Ų10464%0.63649%0.486SS*.Hα-helixtrans-59.5-45.1176.8-178.2-95.6000112.5E688 K694 L695 F696E688-F692 WeakPolarHBondContact O-CB 3.41Å; E688-F692 PolarHBondContact O-N 3.27Å; F692-K694 PolarHBondContact O-N 2.72Å; F692-L695 PolarHBondContact O-N 3.43Å; F692-F696 WeakPolarHBondContact O-CB 3.34Å; F692-F696 PolarHBondContact O-N 3.02Å
693K98.1Very high97.2Very high118 Ų118105.9 Ų105.951%0.51349%0.494SS..Hα-helixtrans-59.6-45.4175.8-76.5168.2-177.6171.30112.2E689 I691 F696 E697E689-K693 WeakPolarHBondContact O-CB 3.26Å; E689-K693 VanDerWaalsContact O-CG 3.26Å; E689-K693 WeakPolarHBondContact O-CG 3.49Å; E689-K693 PolarHBondContact O-N 3.03Å; I691-K693 PolarHBondContact O-N 2.84Å; K693-F696 PolarHBondContact O-N 3.25Å; K693-E697 WeakPolarHBondContact O-CB 3.31Å; K693-E697 VanDerWaalsContact O-CG 3.3Å; K693-E697 WeakPolarHBondContact O-CG 3.29Å; K693-E697 PolarHBondContact O-N 3.48Å
694K98.1Very high97.3Very high110 Ų110102.7 Ų102.748%0.47849%0.485SS..Hα-helixtrans-61.6-47.6175.4-73177.4176.6-168.90112.4M690 I691 F692 F696 E697 E698M690-K694 WeakPolarHBondContact O-CG 3.5Å; M690-K694 PolarHBondContact O-N 3.25Å; M690-K694 VanDerWaalsContact O-N 3.11Å; I691-K694 PolarHBondContact O-N 2.86Å; F692-K694 PolarHBondContact O-N 2.72Å; K694-F696 VanDerWaalsContact C-N 3.25Å; K694-F696 PolarHBondContact O-N 2.9Å; K694-E697 PolarHBondContact O-N 3.28Å; K694-E698 VanDerWaalsContact O-CB 3.31Å; K694-E698 WeakPolarHBondContact O-CB 3.45Å; K694-E698 VanDerWaalsContact O-CG 3.25Å; K694-E698 WeakPolarHBondContact O-CG 3.37Å; K694-E698 PolarHBondContact O-N 3Å
695L98.3Very high97.5Very high102 Ų102103.7 Ų103.753%0.53449%0.489SS..Hα-helixtrans-61.8-33.2177-69.9171.6000112.4I691 F692 G699I691-L695 HydrophobicContact CG2-CD1 3.79Å; I691-L695 HydrophobicContact CG2-CG 4.33Å; I691-L695 WeakPolarHBondContact O-CB 3.37Å; I691-L695 WeakPolarHBondContact O-CG 3.25Å; I691-L695 PolarHBondContact O-N 3.48Å; F692-L695 PolarHBondContact O-N 3.43Å; L695-G699 PolarHBondContact O-N 3.48Å
696F98Very high97.6Very high124 Ų124104.9 Ų104.954%0.54449%0.494SS..Hα-helixtrans-72.3-43.2174.3-177.1-103.9000112.2F692 K693 K694 G699 L700F692-F696 WeakPolarHBondContact O-CB 3.34Å; F692-F696 PolarHBondContact O-N 3.02Å; K693-F696 PolarHBondContact O-N 3.25Å; K694-F696 VanDerWaalsContact C-N 3.25Å; K694-F696 PolarHBondContact O-N 2.9Å; F696-G699 PolarHBondContact O-N 2.87Å; F696-L700 HydrophobicContact CD1-CD1 3.96Å; F696-L700 HydrophobicContact CE1-CD1 3.46Å; F696-L700 VanDerWaalsContact CE1-CD1 3.46Å; F696-L700 HydrophobicContact CE1-CG 4.19Å; F696-L700 HydrophobicContact CZ-CD1 3.85Å; F696-L700 HydrophobicContact CZ-CD2 4.49Å; F696-L700 HydrophobicContact CZ-CG 4.22Å; F696-L700 WeakPolarHBondContact O-CB 3.27Å; F696-L700 WeakPolarHBondContact O-CG 3.45Å; F696-L700 PolarHBondContact O-N 3.46Å
697E98.3Very high97.7Very high110 Ų110106 Ų10651%0.51450%0.496SS..Hα-helixtrans-61.6-44.8173.2-72.6163.2-154.700111.6K693 K694 L700 N701K693-E697 WeakPolarHBondContact O-CB 3.31Å; K693-E697 VanDerWaalsContact O-CG 3.3Å; K693-E697 WeakPolarHBondContact O-CG 3.29Å; K693-E697 PolarHBondContact O-N 3.48Å; K694-E697 PolarHBondContact O-N 3.28Å; E697-L700 PolarHBondContact O-N 3.08Å; E697-N701 WeakPolarHBondContact O-CB 3.41Å; E697-N701 PolarHBondContact O-N 3.21Å; E697-N701 PolarHBondContact O-ND2 2.9Å; E697-N701 VanDerWaalsContact O-ND2 3.16Å
698E98.1Very high97.8Very high106 Ų106106.1 Ų106.150%0.49550%0.497SS..Hα-helixtrans-61.1-46.7173-73.1165.3-156.900111.3K694 L700 N701 I702K694-E698 VanDerWaalsContact O-CB 3.31Å; K694-E698 WeakPolarHBondContact O-CB 3.45Å; K694-E698 VanDerWaalsContact O-CG 3.25Å; K694-E698 WeakPolarHBondContact O-CG 3.37Å; K694-E698 PolarHBondContact O-N 3Å; E698-L700 PolarHBondContact O-N 3.45Å; E698-N701 PolarHBondContact O-N 3.1Å; E698-N701 VanDerWaalsContact O-N 3.15Å; E698-I702 VanDerWaalsContact O-CG1 3.31Å; E698-I702 WeakPolarHBondContact O-CG1 3.22Å; E698-I702 PolarHBondContact O-N 3.45Å
699G98.3Very high97.8Very high30 Ų30104.5 Ų104.531%0.30949%0.492SS..Hα-helixtrans-59.9-44.8176.100000113.3L695 F696 N701 I702 Q703L695-G699 PolarHBondContact O-N 3.48Å; F696-G699 PolarHBondContact O-N 2.87Å; G699-N701 VanDerWaalsContact C-N 3.33Å; G699-N701 PolarHBondContact O-N 3.18Å; G699-I702 PolarHBondContact O-N 3.36Å; G699-Q703 WeakPolarHBondContact O-CG 3.43Å; G699-Q703 PolarHBondContact O-N 3.32Å
700L97.9Very high97.9Very high61 Ų61105.4 Ų105.432%0.31950%0.499SS..Hα-helixtrans-63.6-37.7173.2-75.5178.1000112.1F696 E697 E698 Q703 K704F696-L700 HydrophobicContact CD1-CD1 3.96Å; F696-L700 HydrophobicContact CE1-CD1 3.46Å; F696-L700 VanDerWaalsContact CE1-CD1 3.46Å; F696-L700 HydrophobicContact CE1-CG 4.19Å; F696-L700 HydrophobicContact CZ-CD1 3.85Å; F696-L700 HydrophobicContact CZ-CD2 4.49Å; F696-L700 HydrophobicContact CZ-CG 4.22Å; F696-L700 WeakPolarHBondContact O-CB 3.27Å; F696-L700 WeakPolarHBondContact O-CG 3.45Å; F696-L700 PolarHBondContact O-N 3.46Å; E697-L700 PolarHBondContact O-N 3.08Å; E698-L700 PolarHBondContact O-N 3.45Å; L700-Q703 PolarHBondContact O-N 2.84Å; L700-K704 WeakPolarHBondContact O-CB 3.48Å; L700-K704 VanDerWaalsContact O-CG 3.23Å; L700-K704 WeakPolarHBondContact O-CG 3.42Å; L700-K704 PolarHBondContact O-N 3.45Å
701N97.9Very high98Very high88 Ų88109.4 Ų109.447%0.47151%0.508SS..Hα-helixtrans-70.5-36.3177.6-69.8-22.5000111.9E697 E698 G699 K704 Q705E697-N701 WeakPolarHBondContact O-CB 3.41Å; E697-N701 PolarHBondContact O-N 3.21Å; E697-N701 PolarHBondContact O-ND2 2.9Å; E697-N701 VanDerWaalsContact O-ND2 3.16Å; E698-N701 PolarHBondContact O-N 3.1Å; E698-N701 VanDerWaalsContact O-N 3.15Å; G699-N701 VanDerWaalsContact C-N 3.33Å; G699-N701 PolarHBondContact O-N 3.18Å; N701-K704 PolarHBondContact O-N 3.01Å; N701-K704 PolarHBondContact OD1-NZ 3.45Å; N701-Q705 WeakPolarHBondContact O-CB 3.33Å; N701-Q705 PolarHBondContact O-N 2.92Å
702I98.3Very high98Very high91 Ų91109.2 Ų109.247%0.46751%0.508SS..Hα-helixtrans-63.3-42.6170.8-69162.6000110.9E698 G699 Q705 R706E698-I702 VanDerWaalsContact O-CG1 3.31Å; E698-I702 WeakPolarHBondContact O-CG1 3.22Å; E698-I702 PolarHBondContact O-N 3.45Å; G699-I702 PolarHBondContact O-N 3.36Å; I702-Q705 PolarHBondContact O-N 2.86Å; I702-R706 WeakPolarHBondContact O-CG 3.22Å; I702-R706 PolarHBondContact O-N 3.29Å
703Q97Very high98Very high117 Ų117108.8 Ų108.855%0.54750%0.503SS..Hα-helixtrans-63.1-46.7174.5-73.4178.3-4.300112G699 L700 Q705 R706 L707G699-Q703 WeakPolarHBondContact O-CG 3.43Å; G699-Q703 PolarHBondContact O-N 3.32Å; L700-Q703 PolarHBondContact O-N 2.84Å; Q703-Q705 VanDerWaalsContact C-N 3.3Å; Q703-Q705 PolarHBondContact O-N 3.2Å; Q703-R706 PolarHBondContact O-N 2.87Å; Q703-L707 WeakPolarHBondContact O-CG 3.32Å; Q703-L707 PolarHBondContact O-N 3.14Å
704K97.9Very high98Very high112 Ų112104.9 Ų104.949%0.48749%0.493SS..Hα-helixtrans-58.9-40.6174.9-72.1166.7-168.1166.70111.9L700 N701 L707 R708L700-K704 WeakPolarHBondContact O-CB 3.48Å; L700-K704 VanDerWaalsContact O-CG 3.23Å; L700-K704 WeakPolarHBondContact O-CG 3.42Å; L700-K704 PolarHBondContact O-N 3.45Å; N701-K704 PolarHBondContact O-N 3.01Å; N701-K704 PolarHBondContact OD1-NZ 3.45Å; K704-L707 PolarHBondContact O-N 3.46Å; K704-R708 WeakPolarHBondContact O-CG 3.38Å; K704-R708 PolarHBondContact O-N 3.47Å
705Q97.9Very high98Very high85 Ų85105.8 Ų105.840%0.39750%0.497SS..Hα-helixtrans-66.7-49.1178.5-170.356.736.500110.9N701 I702 Q703 L707 R708 D709N701-Q705 WeakPolarHBondContact O-CB 3.33Å; N701-Q705 PolarHBondContact O-N 2.92Å; I702-Q705 PolarHBondContact O-N 2.86Å; Q703-Q705 VanDerWaalsContact C-N 3.3Å; Q703-Q705 PolarHBondContact O-N 3.2Å; Q705-L707 PolarHBondContact O-N 3.45Å; Q705-R708 CarbonylContact O-C 3.55Å; Q705-R708 WeakPolarHBondContact O-CA 3.4Å; Q705-R708 VanDerWaalsContact O-CB 3.31Å; Q705-R708 WeakPolarHBondContact O-CB 3.25Å; Q705-R708 PolarHBondContact O-N 3.33Å; Q705-D709 PolarHBondContact NE2-OD1 2.83Å; Q705-D709 PolarHBondContact O-N 2.9Å; Q705-D709 VanDerWaalsContact O-OD2 3.1Å
706R98.1Very high98Very high164 Ų164106.7 Ų106.762%0.61950%0.499SS*.Hα-helixtrans-54.7-38.3174.5-70.7172.7-177.6-1741.3112.8I702 Q703 D709 L710I702-R706 WeakPolarHBondContact O-CG 3.22Å; I702-R706 PolarHBondContact O-N 3.29Å; Q703-R706 PolarHBondContact O-N 2.87Å; R706-D709 PolarHBondContact O-N 3.12Å; R706-L710 WeakPolarHBondContact O-CB 3.47Å; R706-L710 VanDerWaalsContact O-CG 3.27Å; R706-L710 WeakPolarHBondContact O-CG 3.21Å; R706-L710 PolarHBondContact O-N 3.25Å
707L98Very high97.9Very high102 Ų102104.6 Ų104.653%0.53449%0.489SS..Hα-helixtrans-70-30.3175-71172.4000113.3Q703 K704 Q705 R711Q703-L707 WeakPolarHBondContact O-CG 3.32Å; Q703-L707 PolarHBondContact O-N 3.14Å; K704-L707 PolarHBondContact O-N 3.46Å; Q705-L707 PolarHBondContact O-N 3.45Å; L707-R711 WeakPolarHBondContact O-CB 3.3Å; L707-R711 WeakPolarHBondContact O-CD 3.48Å; L707-R711 WeakPolarHBondContact O-CG 3.39Å; L707-R711 PolarHBondContact O-N 3.45Å
708R98.1Very high97.9Very high154 Ų154106.6 Ų106.658%0.58149%0.492SS*.Hα-helixtrans-70.2-46.8169.5-69.9167.3174.1-163.7-6.1110.7K704 Q705 L710 R711 N712K704-R708 WeakPolarHBondContact O-CG 3.38Å; K704-R708 PolarHBondContact O-N 3.47Å; Q705-R708 CarbonylContact O-C 3.55Å; Q705-R708 WeakPolarHBondContact O-CA 3.4Å; Q705-R708 VanDerWaalsContact O-CB 3.31Å; Q705-R708 WeakPolarHBondContact O-CB 3.25Å; Q705-R708 PolarHBondContact O-N 3.33Å; R708-L710 PolarHBondContact O-N 3.27Å; R708-R711 PolarHBondContact O-N 2.86Å; R708-R711 VanDerWaalsContact O-N 3.13Å; R708-N712 WeakPolarHBondContact O-CB 3.31Å; R708-N712 PolarHBondContact O-N 2.97Å; R708-N712 PolarHBondContact O-OD1 3.49Å
709D98.1Very high97.8Very high76 Ų76103.3 Ų103.341%0.40648%0.478SS..Hα-helixtrans-59.5-45-179.9-54.1-32.7000111.1Q705 R706 R711 N712 Y713Q705-D709 PolarHBondContact NE2-OD1 2.83Å; Q705-D709 PolarHBondContact O-N 2.9Å; Q705-D709 VanDerWaalsContact O-OD2 3.1Å; R706-D709 PolarHBondContact O-N 3.12Å; D709-R711 PolarHBondContact O-N 3.36Å; D709-N712 PolarHBondContact O-N 3.41Å; D709-Y713 WeakPolarHBondContact O-CB 3.18Å; D709-Y713 PolarHBondContact O-N 3.5Å
710L98.2Very high97.8Very high113 Ų113104.6 Ų104.659%0.59248%0.476SS*.Hα-helixtrans-63.2-39.2174.7-73.7168.8000113R706 R708 A714R706-L710 WeakPolarHBondContact O-CB 3.47Å; R706-L710 VanDerWaalsContact O-CG 3.27Å; R706-L710 WeakPolarHBondContact O-CG 3.21Å; R706-L710 PolarHBondContact O-N 3.25Å; R708-L710 PolarHBondContact O-N 3.27Å; L710-A714 VanDerWaalsContact O-CB 3.31Å; L710-A714 WeakPolarHBondContact O-CB 3.5Å; L710-A714 PolarHBondContact O-N 3.1Å
711R97.9Very high97.7Very high187 Ų187107.1 Ų107.171%0.70649%0.486SS*.Hα-helixtrans-68.4-39.6175.2-75.4171-178.3-168.4-0111.8L707 R708 D709 A714 K715L707-R711 WeakPolarHBondContact O-CB 3.3Å; L707-R711 WeakPolarHBondContact O-CD 3.48Å; L707-R711 WeakPolarHBondContact O-CG 3.39Å; L707-R711 PolarHBondContact O-N 3.45Å; R708-R711 PolarHBondContact O-N 2.86Å; R708-R711 VanDerWaalsContact O-N 3.13Å; D709-R711 PolarHBondContact O-N 3.36Å; R711-A714 PolarHBondContact O-N 2.91Å; R711-K715 WeakPolarHBondContact O-CB 3.44Å; R711-K715 PolarHBondContact O-N 2.9Å
712N98.2Very high97.6Very high98 Ų98111 Ų11152%0.52450%0.495SS..Hα-helixtrans-65.3-48.2176.9-70.3-5.4000110.5R708 D709 A714 K715 E716R708-N712 WeakPolarHBondContact O-CB 3.31Å; R708-N712 PolarHBondContact O-N 2.97Å; R708-N712 PolarHBondContact O-OD1 3.49Å; D709-N712 PolarHBondContact O-N 3.41Å; N712-A714 VanDerWaalsContact C-N 3.33Å; N712-A714 PolarHBondContact O-N 3.13Å; N712-K715 WeakPolarHBondContact O-CB 3.22Å; N712-K715 PolarHBondContact O-N 3.34Å; N712-K715 VanDerWaalsContact O-N 3.09Å; N712-E716 WeakPolarHBondContact O-CB 3.41Å; N712-E716 PolarHBondContact O-N 2.83Å
713Y98.4Very high97.6Very high136 Ų136114.9 Ų114.953%0.53350%0.503SS..Hα-helixtrans-58.3-42.9174.1178-99.4000112.2D709 K715 E716 K717D709-Y713 WeakPolarHBondContact O-CB 3.18Å; D709-Y713 PolarHBondContact O-N 3.5Å; Y713-K715 VanDerWaalsContact C-N 3.34Å; Y713-K715 PolarHBondContact O-N 2.98Å; Y713-E716 PolarHBondContact O-N 3.01Å; Y713-K717 HydrophobicContact CD1-CG 4.42Å; Y713-K717 HydrophobicContact CE1-CG 3.98Å; Y713-K717 HydrophobicContact CE2-CD 4.46Å; Y713-K717 HydrophobicContact CE2-CG 4.11Å; Y713-K717 WeakPolarHBondContact O-CB 3.35Å; Y713-K717 WeakPolarHBondContact O-CG 3.44Å; Y713-K717 PolarHBondContact O-N 3.08Å
714A97.9Very high97.6Very high37 Ų37115.8 Ų115.831%0.30650%0.502SS..Hα-helixtrans-67.8-31.3175.700000112.9L710 R711 N712 R718L710-A714 VanDerWaalsContact O-CB 3.31Å; L710-A714 WeakPolarHBondContact O-CB 3.5Å; L710-A714 PolarHBondContact O-N 3.1Å; R711-A714 PolarHBondContact O-N 2.91Å; N712-A714 VanDerWaalsContact C-N 3.33Å; N712-A714 PolarHBondContact O-N 3.13Å; A714-R718 VanDerWaalsContact C-NH1 3.26Å; A714-R718 WeakPolarHBondContact O-CG 3.45Å; A714-R718 PolarHBondContact O-NH1 3.11Å
715K97.8Very high97.6Very high129 Ų129115.6 Ų115.656%0.56150%0.502SS*.Hα-helixtrans-68-54170.8-175.7-169.9171.7-170.80109.7R711 N712 Y713 K717 R718 D719R711-K715 WeakPolarHBondContact O-CB 3.44Å; R711-K715 PolarHBondContact O-N 2.9Å; N712-K715 WeakPolarHBondContact O-CB 3.22Å; N712-K715 PolarHBondContact O-N 3.34Å; N712-K715 VanDerWaalsContact O-N 3.09Å; Y713-K715 VanDerWaalsContact C-N 3.34Å; Y713-K715 PolarHBondContact O-N 2.98Å; K715-K717 VanDerWaalsContact C-N 3.29Å; K715-K717 PolarHBondContact O-N 2.71Å; K715-R718 WeakPolarHBondContact O-CB 3.39Å; K715-R718 PolarHBondContact O-N 3.22Å; K715-D719 WeakPolarHBondContact CE-OD2 3.44Å; K715-D719 WeakPolarHBondContact CG-OD2 3.43Å; K715-D719 PolarHBondContact O-N 3.29Å
716E98Very high97.5Very high120 Ų120116.3 Ų116.356%0.56151%0.505SS*.Hα-helixtrans-53.5-42.2179.6-177.5175.4-14400112.3N712 Y713 R718 D719 E720N712-E716 WeakPolarHBondContact O-CB 3.41Å; N712-E716 PolarHBondContact O-N 2.83Å; Y713-E716 PolarHBondContact O-N 3.01Å; E716-R718 PolarHBondContact O-N 2.89Å; E716-D719 PolarHBondContact O-N 3.39Å; E716-E720 VanDerWaalsContact O-CB 3.29Å; E716-E720 WeakPolarHBondContact O-CB 3.32Å; E716-E720 PolarHBondContact O-N 3.05Å
717K96.9Very high97.5Very high80 Ų80113.3 Ų113.335%0.34850%0.502SS..Hα-helixtrans-65.6-35.9176.3-73.9-70.5151.1-156.80113.8Y713 K715 E720 Q721Y713-K717 HydrophobicContact CD1-CG 4.42Å; Y713-K717 HydrophobicContact CE1-CG 3.98Å; Y713-K717 HydrophobicContact CE2-CD 4.46Å; Y713-K717 HydrophobicContact CE2-CG 4.11Å; Y713-K717 WeakPolarHBondContact O-CB 3.35Å; Y713-K717 WeakPolarHBondContact O-CG 3.44Å; Y713-K717 PolarHBondContact O-N 3.08Å; K715-K717 VanDerWaalsContact C-N 3.29Å; K715-K717 PolarHBondContact O-N 2.71Å; K717-E720 IonicContact NZ-OE2 2.71Å; K717-E720 PolarHBondContact NZ-OE2 3.44Å; K717-Q721 VanDerWaalsContact O-CG 3.32Å; K717-Q721 WeakPolarHBondContact O-CG 3.38Å; K717-Q721 PolarHBondContact O-N 3.39Å; K717-Q721 VanDerWaalsContact O-N 3.11Å; K717-Q721 PolarHBondContact O-OE1 2.93Å
718R96.4Very high97.5Very high152 Ų152113.4 Ų113.457%0.57450%0.5SS*.Hα-helixtrans-71.4-38.7172.1-65.4-179.9-166.898.1-11.3111.4A714 K715 E716 E720 Q721 R722A714-R718 VanDerWaalsContact C-NH1 3.26Å; A714-R718 WeakPolarHBondContact O-CG 3.45Å; A714-R718 PolarHBondContact O-NH1 3.11Å; K715-R718 WeakPolarHBondContact O-CB 3.39Å; K715-R718 PolarHBondContact O-N 3.22Å; E716-R718 PolarHBondContact O-N 2.89Å; R718-E720 VanDerWaalsContact C-N 3.35Å; R718-Q721 PolarHBondContact O-N 3.26Å; R718-R722 WeakPolarHBondContact O-CB 3.33Å; R718-R722 WeakPolarHBondContact O-CG 3.42Å; R718-R722 PolarHBondContact O-N 3.34Å
719D96.9Very high97.5Very high37 Ų37111.4 Ų111.420%0.19850%0.5CS..Hα-helixtrans-68.3-35.9178.8-68-8.3000111.3K715 E716 R722 R723K715-D719 WeakPolarHBondContact CE-OD2 3.44Å; K715-D719 WeakPolarHBondContact CG-OD2 3.43Å; K715-D719 PolarHBondContact O-N 3.29Å; E716-D719 PolarHBondContact O-N 3.39Å; D719-R722 PolarHBondContact O-N 2.83Å; D719-R722 IonicContact OD1-CZ 3.63Å; D719-R722 IonicContact OD1-NE 3.69Å; D719-R722 IonicContact OD1-NH2 2.67Å; D719-R722 PolarHBondContact OD1-NH2 3.27Å; D719-R723 WeakPolarHBondContact O-CB 3.28Å; D719-R723 WeakPolarHBondContact O-CG 3.45Å; D719-R723 PolarHBondContact O-N 3.07Å
720E97.8Very high97.4Very high58 Ų58110.8 Ų110.827%0.27150%0.496SS..Hα-helixtrans-68.2-41.2172.6-169.1-172.7176.400112E716 K717 R718 R723 R724E716-E720 VanDerWaalsContact O-CB 3.29Å; E716-E720 WeakPolarHBondContact O-CB 3.32Å; E716-E720 PolarHBondContact O-N 3.05Å; K717-E720 IonicContact NZ-OE2 2.71Å; K717-E720 PolarHBondContact NZ-OE2 3.44Å; R718-E720 VanDerWaalsContact C-N 3.35Å; E720-R723 PolarHBondContact O-N 3.4Å; E720-R724 VanDerWaalsContact O-CG 3.32Å; E720-R724 WeakPolarHBondContact O-CG 3.43Å; E720-R724 PolarHBondContact O-N 3.17Å; E720-R724 IonicContact OE1-CZ 3.65Å; E720-R724 IonicContact OE1-NE 3.96Å; E720-R724 IonicContact OE1-NH2 3.79Å; E720-R724 PolarHBondContact OE1-NH2 3.17Å
721Q96Very high97.4Very high114 Ų114108.7 Ų108.753%0.53349%0.491SS..Hα-helixtrans-61.5-45.3171.5-75.6172.5-41.800111.6K717 R718 R723 R724 H725K717-Q721 VanDerWaalsContact O-CG 3.32Å; K717-Q721 WeakPolarHBondContact O-CG 3.38Å; K717-Q721 PolarHBondContact O-N 3.39Å; K717-Q721 VanDerWaalsContact O-N 3.11Å; K717-Q721 PolarHBondContact O-OE1 2.93Å; R718-Q721 PolarHBondContact O-N 3.26Å; Q721-R723 PolarHBondContact O-N 3.45Å; Q721-R724 PolarHBondContact O-N 2.83Å; Q721-H725 PolarHBondContact O-CD2 3.13Å; Q721-H725 VanDerWaalsContact O-CD2 3.23Å; Q721-H725 PolarHBondContact O-N 2.98Å
722R96.9Very high97.3Very high170 Ų170104 Ų10464%0.64248%0.478SS*.Hα-helixtrans-63-38.6176.3-72.9-167.5-62.9156-1.5112.6R718 D719 Q726R718-R722 WeakPolarHBondContact O-CB 3.33Å; R718-R722 WeakPolarHBondContact O-CG 3.42Å; R718-R722 PolarHBondContact O-N 3.34Å; D719-R722 PolarHBondContact O-N 2.83Å; D719-R722 IonicContact OD1-CZ 3.63Å; D719-R722 IonicContact OD1-NE 3.69Å; D719-R722 IonicContact OD1-NH2 2.67Å; D719-R722 PolarHBondContact OD1-NH2 3.27Å; R722-Q726 WeakPolarHBondContact O-CB 3.36Å; R722-Q726 PolarHBondContact O-N 2.94Å
723R97.8Very high97.3Very high172 Ų172104.2 Ų104.265%0.64948%0.476SS*.Hα-helixtrans-60.8-53172.7-77.7173.3-175.4164.12.4111.1D719 E720 Q721 H725 Q726 D727D719-R723 WeakPolarHBondContact O-CB 3.28Å; D719-R723 WeakPolarHBondContact O-CG 3.45Å; D719-R723 PolarHBondContact O-N 3.07Å; E720-R723 PolarHBondContact O-N 3.4Å; Q721-R723 PolarHBondContact O-N 3.45Å; R723-H725 VanDerWaalsContact C-N 3.3Å; R723-H725 PolarHBondContact O-N 2.87Å; R723-Q726 CarbonylContact O-C 3.45Å; R723-Q726 WeakPolarHBondContact O-CA 3.49Å; R723-Q726 WeakPolarHBondContact O-CB 3.37Å; R723-Q726 PolarHBondContact O-N 3.24Å; R723-D727 PolarHBondContact O-N 2.86Å; R723-D727 VanDerWaalsContact O-OD2 3.11Å
724R97.1Very high97.2Very high136 Ų136101.5 Ų101.551%0.51347%0.471SS..Hα-helixtrans-55.3-43.9179.2-68.6169-173.7-1453.8112.5E720 Q721 Q726 D727 E728E720-R724 VanDerWaalsContact O-CG 3.32Å; E720-R724 WeakPolarHBondContact O-CG 3.43Å; E720-R724 PolarHBondContact O-N 3.17Å; E720-R724 IonicContact OE1-CZ 3.65Å; E720-R724 IonicContact OE1-NE 3.96Å; E720-R724 IonicContact OE1-NH2 3.79Å; E720-R724 PolarHBondContact OE1-NH2 3.17Å; Q721-R724 PolarHBondContact O-N 2.83Å; R724-Q726 VanDerWaalsContact C-N 3.33Å; R724-Q726 PolarHBondContact O-N 3.4Å; R724-D727 PolarHBondContact O-N 3.47Å; R724-E728 WeakPolarHBondContact O-CB 3.37Å; R724-E728 WeakPolarHBondContact O-CG 3.43Å; R724-E728 PolarHBondContact O-N 3.07Å
725H96.9Very high97.2Very high107 Ų107105.5 Ų105.550%0.49548%0.479SS..Hα-helixtrans-68.2-30.1175.6-66.4-40.7000113.6Q721 R723 E728 L729Q721-H725 PolarHBondContact O-CD2 3.13Å; Q721-H725 VanDerWaalsContact O-CD2 3.23Å; Q721-H725 PolarHBondContact O-N 2.98Å; R723-H725 VanDerWaalsContact C-N 3.3Å; R723-H725 PolarHBondContact O-N 2.87Å; H725-E728 WeakPolarHBondContact CA-OE2 3.28Å; H725-E728 IonicContact CE1-OE2 3.62Å; H725-E728 IonicContact CG-OE2 3.96Å; H725-E728 IonicContact ND1-OE2 2.95Å; H725-E728 PolarHBondContact ND1-OE2 3.34Å; H725-L729 WeakPolarHBondContact O-CB 3.49Å; H725-L729 WeakPolarHBondContact O-CD1 3.28Å; H725-L729 VanDerWaalsContact O-CG 3.22Å; H725-L729 WeakPolarHBondContact O-CG 3.44Å; H725-L729 PolarHBondContact O-N 2.86Å
726Q97.2Very high97.2Very high100 Ų100105.1 Ų105.147%0.46748%0.475SS..Hα-helixtrans-71.1-45.7170.5-167.266.352.800111.1R722 R723 R724 E728 L729 D730R722-Q726 WeakPolarHBondContact O-CB 3.36Å; R722-Q726 PolarHBondContact O-N 2.94Å; R723-Q726 CarbonylContact O-C 3.45Å; R723-Q726 WeakPolarHBondContact O-CA 3.49Å; R723-Q726 WeakPolarHBondContact O-CB 3.37Å; R723-Q726 PolarHBondContact O-N 3.24Å; R724-Q726 VanDerWaalsContact C-N 3.33Å; R724-Q726 PolarHBondContact O-N 3.4Å; Q726-E728 VanDerWaalsContact C-N 3.27Å; Q726-E728 PolarHBondContact O-N 3.09Å; Q726-L729 PolarHBondContact O-N 3.24Å; Q726-L729 VanDerWaalsContact O-N 3.15Å; Q726-D730 PolarHBondContact NE2-OD1 3.46Å; Q726-D730 WeakPolarHBondContact O-CB 3.17Å; Q726-D730 PolarHBondContact O-N 3.25Å
727D97.3Very high97.1Very high102 Ų102103.5 Ų103.555%0.54547%0.466SS..Hα-helixtrans-58.7-40.5176.4-55.7-40.6000110.8R723 R724 S731R723-D727 PolarHBondContact O-N 2.86Å; R723-D727 VanDerWaalsContact O-OD2 3.11Å; R724-D727 PolarHBondContact O-N 3.47Å; D727-S731 VanDerWaalsContact O-CB 3.26Å; D727-S731 WeakPolarHBondContact O-CB 3.28Å; D727-S731 PolarHBondContact O-N 3.42Å; D727-S731 PolarHBondContact O-OG 3.02Å
728E97.4Very high97.1Very high104 Ų104104.5 Ų104.549%0.48648%0.475SS..Hα-helixtrans-60.5-53.2171.7-76160.8-174.100111.3R724 H725 Q726 S731 M732R724-E728 WeakPolarHBondContact O-CB 3.37Å; R724-E728 WeakPolarHBondContact O-CG 3.43Å; R724-E728 PolarHBondContact O-N 3.07Å; H725-E728 WeakPolarHBondContact CA-OE2 3.28Å; H725-E728 IonicContact CE1-OE2 3.62Å; H725-E728 IonicContact CG-OE2 3.96Å; H725-E728 IonicContact ND1-OE2 2.95Å; H725-E728 PolarHBondContact ND1-OE2 3.34Å; Q726-E728 VanDerWaalsContact C-N 3.27Å; Q726-E728 PolarHBondContact O-N 3.09Å; E728-S731 PolarHBondContact O-N 2.81Å; E728-S731 PolarHBondContact O-OG 2.93Å; E728-M732 WeakPolarHBondContact O-CG 3.46Å; E728-M732 PolarHBondContact O-N 2.71Å
729L97.8Very high97.1Very high112 Ų112101.5 Ų101.559%0.58647%0.467SS*.Hα-helixtrans-61.5-45.2178.9-75.6169000112.5H725 Q726 S731 M732 E733H725-L729 WeakPolarHBondContact O-CB 3.49Å; H725-L729 WeakPolarHBondContact O-CD1 3.28Å; H725-L729 VanDerWaalsContact O-CG 3.22Å; H725-L729 WeakPolarHBondContact O-CG 3.44Å; H725-L729 PolarHBondContact O-N 2.86Å; Q726-L729 PolarHBondContact O-N 3.24Å; Q726-L729 VanDerWaalsContact O-N 3.15Å; L729-S731 VanDerWaalsContact C-N 3.32Å; L729-S731 PolarHBondContact O-N 3.42Å; L729-M732 PolarHBondContact O-N 3.27Å; L729-E733 WeakPolarHBondContact O-CB 3.36Å; L729-E733 PolarHBondContact O-N 2.89Å
730D97.4Very high97.2Very high63 Ų63106.3 Ų106.334%0.33749%0.487SS..Hα-helixtrans-64.1-38.5178.4-68.91000110.6Q726 E733 N734Q726-D730 PolarHBondContact NE2-OD1 3.46Å; Q726-D730 WeakPolarHBondContact O-CB 3.17Å; Q726-D730 PolarHBondContact O-N 3.25Å; D730-E733 PolarHBondContact O-N 2.82Å; D730-N734 VanDerWaalsContact O-CB 3.31Å; D730-N734 WeakPolarHBondContact O-CB 3.42Å; D730-N734 PolarHBondContact O-N 3.29Å; D730-N734 PolarHBondContact O-ND2 2.91Å
731S97.1Very high97.2Very high68 Ų68107 Ų10748%0.47650%0.498SS..Hα-helixtrans-65.1-39.5174.977.50000112.5D727 E728 L729 Y735D727-S731 VanDerWaalsContact O-CB 3.26Å; D727-S731 WeakPolarHBondContact O-CB 3.28Å; D727-S731 PolarHBondContact O-N 3.42Å; D727-S731 PolarHBondContact O-OG 3.02Å; E728-S731 PolarHBondContact O-N 2.81Å; E728-S731 PolarHBondContact O-OG 2.93Å; L729-S731 VanDerWaalsContact C-N 3.32Å; L729-S731 PolarHBondContact O-N 3.42Å; S731-Y735 WeakPolarHBondContact O-CB 3.41Å; S731-Y735 PolarHBondContact O-N 2.71Å
732M96.8Very high97.2Very high89 Ų89106.6 Ų106.644%0.43850%0.499SS..Hα-helixtrans-70.6-40.4175.4-69.9-59.4-56.500111.8E728 L729 N734 Y735 Y736E728-M732 WeakPolarHBondContact O-CG 3.46Å; E728-M732 PolarHBondContact O-N 2.71Å; L729-M732 PolarHBondContact O-N 3.27Å; M732-N734 VanDerWaalsContact C-N 3.35Å; M732-Y735 PolarHBondContact O-N 3.33Å; M732-Y736 HydrophobicContact CE-CE2 3.66Å; M732-Y736 WeakPolarHBondContact O-CD2 3.31Å; M732-Y736 PolarHBondContact O-N 3.46Å
733E97.1Very high97.2Very high102 Ų102103 Ų10348%0.47749%0.492SS..Hα-helixtrans-63.2-42.9176.3-157.9-153.6170.200110.7L729 D730 Y736 K737L729-E733 WeakPolarHBondContact O-CB 3.36Å; L729-E733 PolarHBondContact O-N 2.89Å; D730-E733 PolarHBondContact O-N 2.82Å; E733-Y736 PolarHBondContact O-N 2.93Å; E733-K737 HydrophobicContact CG-CD 4.46Å; E733-K737 WeakPolarHBondContact O-CB 3.46Å; E733-K737 VanDerWaalsContact O-CG 3.25Å; E733-K737 WeakPolarHBondContact O-CG 3.48Å; E733-K737 PolarHBondContact O-N 3.04Å; E733-K737 WeakPolarHBondContact OE1-CE 3.39Å; E733-K737 IonicContact OE1-NZ 2.66Å; E733-K737 PolarHBondContact OE1-NZ 2.78Å; E733-K737 IonicContact OE2-NZ 2.65Å; E733-K737 PolarHBondContact OE2-NZ 3.03Å
734N97.1Very high97.1Very high80 Ų8097.3 Ų97.343%0.42848%0.481SS..Hα-helixtrans-65.5-42.2175.3-69.8-34.4000112.2D730 M732 Y736 K737 D738D730-N734 VanDerWaalsContact O-CB 3.31Å; D730-N734 WeakPolarHBondContact O-CB 3.42Å; D730-N734 PolarHBondContact O-N 3.29Å; D730-N734 PolarHBondContact O-ND2 2.91Å; M732-N734 VanDerWaalsContact C-N 3.35Å; N734-Y736 VanDerWaalsContact C-N 3.34Å; N734-Y736 PolarHBondContact O-N 3.3Å; N734-K737 PolarHBondContact O-N 3.19Å; N734-D738 PolarHBondContact O-N 2.68Å
735Y97.4Very high97.1Very high120 Ų12095.9 Ų95.947%0.47148%0.481SS..Hα-helixtrans-55.6-47.1171.9170.1-100.7000112S731 M732 D738 Q739S731-Y735 WeakPolarHBondContact O-CB 3.41Å; S731-Y735 PolarHBondContact O-N 2.71Å; M732-Y735 PolarHBondContact O-N 3.33Å; Y735-D738 PolarHBondContact O-N 2.73Å; Y735-Q739 HydrophobicContact CE1-CG 4.06Å; Y735-Q739 HydrophobicContact CE2-CG 4.17Å; Y735-Q739 WeakPolarHBondContact O-CG 3.17Å; Y735-Q739 PolarHBondContact O-N 3.03Å
736Y97.3Very high97.1Very high122 Ų12293.1 Ų93.148%0.47848%0.476SS..Hα-helixtrans-70.2-36.7177.9-70.8-59000112.8M732 E733 N734 D738 Q739 F740M732-Y736 HydrophobicContact CE-CE2 3.66Å; M732-Y736 WeakPolarHBondContact O-CD2 3.31Å; M732-Y736 PolarHBondContact O-N 3.46Å; E733-Y736 PolarHBondContact O-N 2.93Å; N734-Y736 VanDerWaalsContact C-N 3.34Å; N734-Y736 PolarHBondContact O-N 3.3Å; Y736-D738 VanDerWaalsContact C-N 3.29Å; Y736-D738 PolarHBondContact O-N 2.8Å; Y736-Q739 PolarHBondContact O-N 3.26Å; Y736-F740 WeakPolarHBondContact O-CD2 3.29Å; Y736-F740 WeakPolarHBondContact O-CG 3.44Å; Y736-F740 PolarHBondContact O-N 2.85Å
737K97.4Very high97.1Very high86 Ų8692.5 Ų92.537%0.37448%0.475SS..Hα-helixtrans-57.1-41.9171.2-76.8163.8-179.7161.20111.5E733 N734 F740 S741E733-K737 HydrophobicContact CG-CD 4.46Å; E733-K737 WeakPolarHBondContact O-CB 3.46Å; E733-K737 VanDerWaalsContact O-CG 3.25Å; E733-K737 WeakPolarHBondContact O-CG 3.48Å; E733-K737 PolarHBondContact O-N 3.04Å; E733-K737 WeakPolarHBondContact OE1-CE 3.39Å; E733-K737 IonicContact OE1-NZ 2.66Å; E733-K737 PolarHBondContact OE1-NZ 2.78Å; E733-K737 IonicContact OE2-NZ 2.65Å; E733-K737 PolarHBondContact OE2-NZ 3.03Å; N734-K737 PolarHBondContact O-N 3.19Å; K737-F740 PolarHBondContact O-N 3.25Å; K737-S741 VanDerWaalsContact O-CB 3.28Å; K737-S741 WeakPolarHBondContact O-CB 3.29Å; K737-S741 PolarHBondContact O-N 3.37Å; K737-S741 PolarHBondContact O-OG 3.11Å
738D97.3Very high97Very high100 Ų10090.5 Ų90.554%0.53547%0.469SS..Hα-helixtrans-67.3-43.6176.5-73.2-12.6000111.5N734 Y735 Y736 F740 S741 L742N734-D738 PolarHBondContact O-N 2.68Å; Y735-D738 PolarHBondContact O-N 2.73Å; Y736-D738 VanDerWaalsContact C-N 3.29Å; Y736-D738 PolarHBondContact O-N 2.8Å; D738-F740 PolarHBondContact O-N 3.49Å; D738-S741 PolarHBondContact O-N 2.92Å; D738-L742 WeakPolarHBondContact O-CB 3.27Å; D738-L742 WeakPolarHBondContact O-CG 3.39Å; D738-L742 PolarHBondContact O-N 3.44Å
739Q96.3Very high97Very high89 Ų8990.3 Ų90.342%0.41647%0.468SS..Hα-helixtrans-59.2-44.8173.7-66.4-55.8-59.200112.1Y735 Y736 S741 L743Y735-Q739 HydrophobicContact CE1-CG 4.06Å; Y735-Q739 HydrophobicContact CE2-CG 4.17Å; Y735-Q739 WeakPolarHBondContact O-CG 3.17Å; Y735-Q739 PolarHBondContact O-N 3.03Å; Y736-Q739 PolarHBondContact O-N 3.26Å; Q739-S741 VanDerWaalsContact C-N 3.35Å; Q739-L743 WeakPolarHBondContact O-CB 3.43Å; Q739-L743 PolarHBondContact O-N 2.87Å
740F97.5Very high96.9Very high139 Ų13989.3 Ų89.361%0.6146%0.461SS*.Hα-helixtrans-67.6-34.1176.3-71.5-55.4000112.5Y736 K737 D738 L743 A744Y736-F740 WeakPolarHBondContact O-CD2 3.29Å; Y736-F740 WeakPolarHBondContact O-CG 3.44Å; Y736-F740 PolarHBondContact O-N 2.85Å; K737-F740 PolarHBondContact O-N 3.25Å; D738-F740 PolarHBondContact O-N 3.49Å; F740-L743 PolarHBondContact O-N 2.9Å; F740-A744 WeakPolarHBondContact O-CB 3.16Å; F740-A744 PolarHBondContact O-N 3.39Å
741S97.4Very high96.8Very high72 Ų7291.1 Ų91.150%0.50347%0.467SS..Hα-helixtrans-68.4-45.3177.1-61.20000111.5K737 D738 Q739 L743 A744 E745K737-S741 VanDerWaalsContact O-CB 3.28Å; K737-S741 WeakPolarHBondContact O-CB 3.29Å; K737-S741 PolarHBondContact O-N 3.37Å; K737-S741 PolarHBondContact O-OG 3.11Å; D738-S741 PolarHBondContact O-N 2.92Å; Q739-S741 VanDerWaalsContact C-N 3.35Å; S741-L743 VanDerWaalsContact C-N 3.34Å; S741-L743 PolarHBondContact O-N 2.86Å; S741-A744 PolarHBondContact O-N 2.83Å; S741-E745 WeakPolarHBondContact O-CB 3.37Å; S741-E745 PolarHBondContact O-N 3.49Å
742L96.2Very high96.8Very high106 Ų10694.3 Ų94.356%0.55547%0.474SS*.Hα-helixtrans-60.7-42.1173.6-71.6168000111.8D738 E745 A746D738-L742 WeakPolarHBondContact O-CB 3.27Å; D738-L742 WeakPolarHBondContact O-CG 3.39Å; D738-L742 PolarHBondContact O-N 3.44Å; L742-E745 PolarHBondContact O-N 3.32Å; L742-A746 WeakPolarHBondContact O-CB 3.43Å; L742-A746 PolarHBondContact O-N 2.82Å
743L96.9Very high96.7Very high95 Ų9594.9 Ų94.950%0.49748%0.476SS..Hα-helixtrans-66.9-42.1176.2-178.960.8000112.1Q739 F740 S741 E745 A746 I747Q739-L743 WeakPolarHBondContact O-CB 3.43Å; Q739-L743 PolarHBondContact O-N 2.87Å; F740-L743 PolarHBondContact O-N 2.9Å; S741-L743 VanDerWaalsContact C-N 3.34Å; S741-L743 PolarHBondContact O-N 2.86Å; L743-E745 VanDerWaalsContact C-N 3.34Å; L743-A746 PolarHBondContact O-N 2.88Å; L743-I747 HydrophobicContact CD1-CD1 3.96Å; L743-I747 HydrophobicContact CD1-CG1 4.27Å; L743-I747 HydrophobicContact CG-CD1 3.89Å; L743-I747 WeakPolarHBondContact O-CB 3.47Å; L743-I747 VanDerWaalsContact O-CG1 3.26Å; L743-I747 WeakPolarHBondContact O-CG1 3.48Å; L743-I747 PolarHBondContact O-N 2.97Å
744A97.1Very high96.7Very high51 Ų5194.4 Ų94.442%0.42148%0.476SS..Hα-helixtrans-65.4-36.9176.300000111.9F740 S741 S748F740-A744 WeakPolarHBondContact O-CB 3.16Å; F740-A744 PolarHBondContact O-N 3.39Å; S741-A744 PolarHBondContact O-N 2.83Å; A744-S748 VanDerWaalsContact O-CB 3.25Å; A744-S748 WeakPolarHBondContact O-CB 3.35Å; A744-S748 PolarHBondContact O-N 3.25Å; A744-S748 PolarHBondContact O-OG 3.25Å
745E96.7Very high96.6Very high107 Ų10796 Ų9650%0.548%0.479SS..Hα-helixtrans-65.2-50.2172.7-162.8-170.7158.200110.8S741 L742 L743 I747 S748 Q749S741-E745 WeakPolarHBondContact O-CB 3.37Å; S741-E745 PolarHBondContact O-N 3.49Å; L742-E745 PolarHBondContact O-N 3.32Å; L743-E745 VanDerWaalsContact C-N 3.34Å; E745-I747 PolarHBondContact O-N 3.13Å; E745-S748 CarbonylContact O-C 3.43Å; E745-S748 WeakPolarHBondContact O-CA 3.48Å; E745-S748 WeakPolarHBondContact O-CB 3.25Å; E745-S748 PolarHBondContact O-N 2.86Å; E745-Q749 HydrophobicContact CG-CG 4.41Å; E745-Q749 WeakPolarHBondContact O-CG 3.47Å; E745-Q749 PolarHBondContact O-N 3.25Å; E745-Q749 PolarHBondContact OE1-NE2 3.32Å
746A97Very high96.6Very high48 Ų4893 Ų9340%0.39748%0.479SS..Hα-helixtrans-58.4-44.2178.500000112.6L742 L743 S748 Q749 E750L742-A746 WeakPolarHBondContact O-CB 3.43Å; L742-A746 PolarHBondContact O-N 2.82Å; L743-A746 PolarHBondContact O-N 2.88Å; A746-S748 VanDerWaalsContact C-N 3.28Å; A746-S748 PolarHBondContact O-N 2.92Å; A746-Q749 PolarHBondContact O-N 3.39Å; A746-E750 PolarHBondContact O-N 3.12Å
747I96.5Very high96.5Very high87 Ų8791.8 Ų91.845%0.44647%0.474SS..Hα-helixtrans-63-35.6174.1-69.3168.6000111.1L743 E745 H751L743-I747 HydrophobicContact CD1-CD1 3.96Å; L743-I747 HydrophobicContact CD1-CG1 4.27Å; L743-I747 HydrophobicContact CG-CD1 3.89Å; L743-I747 WeakPolarHBondContact O-CB 3.47Å; L743-I747 VanDerWaalsContact O-CG1 3.26Å; L743-I747 WeakPolarHBondContact O-CG1 3.48Å; L743-I747 PolarHBondContact O-N 2.97Å; E745-I747 PolarHBondContact O-N 3.13Å; I747-H751 WeakPolarHBondContact O-CB 3.21Å; I747-H751 PolarHBondContact O-N 3.41Å; I747-H751 PolarHBondContact O-ND1 3.12Å
748S96.4Very high96.4Very high60 Ų6093.8 Ų93.842%0.4249%0.485SS..Hα-helixtrans-72.9-34.8177-62.50000112.8A744 E745 A746 Q752A744-S748 VanDerWaalsContact O-CB 3.25Å; A744-S748 WeakPolarHBondContact O-CB 3.35Å; A744-S748 PolarHBondContact O-N 3.25Å; A744-S748 PolarHBondContact O-OG 3.25Å; E745-S748 CarbonylContact O-C 3.43Å; E745-S748 WeakPolarHBondContact O-CA 3.48Å; E745-S748 WeakPolarHBondContact O-CB 3.25Å; E745-S748 PolarHBondContact O-N 2.86Å; A746-S748 VanDerWaalsContact C-N 3.28Å; A746-S748 PolarHBondContact O-N 2.92Å; S748-Q752 VanDerWaalsContact O-CG 3.31Å; S748-Q752 WeakPolarHBondContact O-CG 3.44Å; S748-Q752 PolarHBondContact O-N 2.95Å; S748-Q752 PolarHBondContact O-NE2 2.97Å
749Q96.3Very high96.4Very high100 Ų10095.6 Ų95.647%0.46749%0.488SS..Hα-helixtrans-66.6-50.1173.5-69.9178.41200110.3E745 A746 H751 Q752 E753E745-Q749 HydrophobicContact CG-CG 4.41Å; E745-Q749 WeakPolarHBondContact O-CG 3.47Å; E745-Q749 PolarHBondContact O-N 3.25Å; E745-Q749 PolarHBondContact OE1-NE2 3.32Å; A746-Q749 PolarHBondContact O-N 3.39Å; Q749-H751 VanDerWaalsContact C-N 3.31Å; Q749-H751 PolarHBondContact O-N 3.09Å; Q749-Q752 WeakPolarHBondContact O-CA 3.38Å; Q749-Q752 WeakPolarHBondContact O-CB 3.2Å; Q749-Q752 PolarHBondContact O-N 3.3Å; Q749-E753 PolarHBondContact O-N 3.03Å
750E95.6Very high96.2Very high91 Ų9194.3 Ų94.343%0.42549%0.488SS..Hα-helixtrans-59.3-38.7173.9-89.8-70.5-179.200112.3A746 Q752 E753 L754 R757A746-E750 PolarHBondContact O-N 3.12Å; E750-Q752 VanDerWaalsContact C-N 3.3Å; E750-Q752 PolarHBondContact O-N 3.35Å; E750-E753 PolarHBondContact O-N 3.45Å; E750-L754 VanDerWaalsContact O-CB 3.32Å; E750-L754 WeakPolarHBondContact O-CB 3.39Å; E750-L754 VanDerWaalsContact O-CG 3.27Å; E750-L754 WeakPolarHBondContact O-CG 3.43Å; E750-L754 PolarHBondContact O-N 2.86Å; E750-R757 IonicContact OE1-NH2 3.35Å; E750-R757 IonicContact OE2-CZ 3.35Å; E750-R757 IonicContact OE2-NH1 2.68Å; E750-R757 PolarHBondContact OE2-NH1 2.75Å; E750-R757 IonicContact OE2-NH2 2.79Å
751H95.9Very high96.1Very high102 Ų10293.5 Ų93.547%0.47249%0.487SS..Hα-helixtrans-64.3-32173.3-86.886.4000113.5I747 Q749 K755I747-H751 WeakPolarHBondContact O-CB 3.21Å; I747-H751 PolarHBondContact O-N 3.41Å; I747-H751 PolarHBondContact O-ND1 3.12Å; Q749-H751 VanDerWaalsContact C-N 3.31Å; Q749-H751 PolarHBondContact O-N 3.09Å; H751-K755 WeakPolarHBondContact O-CB 3.49Å; H751-K755 VanDerWaalsContact O-CD 3.29Å; H751-K755 WeakPolarHBondContact O-CD 3.31Å; H751-K755 WeakPolarHBondContact O-CG 3.5Å; H751-K755 PolarHBondContact O-N 3.12Å; H751-K755 VanDerWaalsContact O-N 3.17Å
752Q95.9Very high96Very high135 Ų13592.8 Ų92.863%0.63149%0.485SS*.Hα-helixtrans-73.5-42.2174.3-74.1174.566.600111.2S748 Q749 E750 K755 A756S748-Q752 VanDerWaalsContact O-CG 3.31Å; S748-Q752 WeakPolarHBondContact O-CG 3.44Å; S748-Q752 PolarHBondContact O-N 2.95Å; S748-Q752 PolarHBondContact O-NE2 2.97Å; Q749-Q752 WeakPolarHBondContact O-CA 3.38Å; Q749-Q752 WeakPolarHBondContact O-CB 3.2Å; Q749-Q752 PolarHBondContact O-N 3.3Å; E750-Q752 VanDerWaalsContact C-N 3.3Å; E750-Q752 PolarHBondContact O-N 3.35Å; Q752-K755 PolarHBondContact O-N 3.42Å; Q752-A756 WeakPolarHBondContact O-CB 3.49Å; Q752-A756 PolarHBondContact O-N 2.85Å
753E96.2Very high96Very high101 Ų10194.2 Ų94.247%0.47249%0.488SS..Hα-helixtrans-63.1-46.4174.2-75.1-153.2-147.500112.3Q749 E750 K755 A756 R757Q749-E753 PolarHBondContact O-N 3.03Å; E750-E753 PolarHBondContact O-N 3.45Å; E753-K755 VanDerWaalsContact C-N 3.33Å; E753-K755 PolarHBondContact O-N 2.85Å; E753-A756 CarbonylContact O-C 3.51Å; E753-A756 WeakPolarHBondContact O-CA 3.37Å; E753-A756 WeakPolarHBondContact O-CB 3.38Å; E753-A756 PolarHBondContact O-N 2.92Å; E753-R757 WeakPolarHBondContact O-CB 3.45Å; E753-R757 WeakPolarHBondContact O-CG 3.47Å; E753-R757 PolarHBondContact O-N 2.9Å; E753-R757 IonicContact OE2-CZ 3.68Å; E753-R757 IonicContact OE2-NE 3.68Å; E753-R757 IonicContact OE2-NH2 2.64Å; E753-R757 PolarHBondContact OE2-NH2 2.71Å
754L95.6Very high95.9Very high91 Ų9193.7 Ų93.748%0.47649%0.489SS..Hα-helixtrans-58.8-43.3175.2-73.1169.5000111.6E750 A756 R757 E758E750-L754 VanDerWaalsContact O-CB 3.32Å; E750-L754 WeakPolarHBondContact O-CB 3.39Å; E750-L754 VanDerWaalsContact O-CG 3.27Å; E750-L754 WeakPolarHBondContact O-CG 3.43Å; E750-L754 PolarHBondContact O-N 2.86Å; L754-A756 VanDerWaalsContact C-N 3.28Å; L754-A756 PolarHBondContact O-N 3.1Å; L754-R757 PolarHBondContact O-N 3.35Å; L754-E758 VanDerWaalsContact O-CB 3.3Å; L754-E758 WeakPolarHBondContact O-CB 3.5Å; L754-E758 PolarHBondContact O-N 2.98Å
755K96.4Very high95.8Very high115 Ų11597 Ų9750%0.550%0.5SS..Hα-helixtrans-65-28.9173.6-73.1167.4-172.5169.90112.8H751 Q752 E753 K759H751-K755 WeakPolarHBondContact O-CB 3.49Å; H751-K755 VanDerWaalsContact O-CD 3.29Å; H751-K755 WeakPolarHBondContact O-CD 3.31Å; H751-K755 WeakPolarHBondContact O-CG 3.5Å; H751-K755 PolarHBondContact O-N 3.12Å; H751-K755 VanDerWaalsContact O-N 3.17Å; Q752-K755 PolarHBondContact O-N 3.42Å; E753-K755 VanDerWaalsContact C-N 3.33Å; E753-K755 PolarHBondContact O-N 2.85Å; K755-K759 WeakPolarHBondContact O-CB 3.46Å; K755-K759 WeakPolarHBondContact O-CD 3.39Å; K755-K759 WeakPolarHBondContact O-CG 3.32Å; K755-K759 PolarHBondContact O-N 2.79Å; K755-K759 VanDerWaalsContact O-N 3.15Å
756A95.8Very high95.8Very high57 Ų5796.7 Ų96.747%0.47150%0.498SS..Hα-helixtrans-76.7-41.6174.100000112.2Q752 E753 L754 K759 S760Q752-A756 WeakPolarHBondContact O-CB 3.49Å; Q752-A756 PolarHBondContact O-N 2.85Å; E753-A756 CarbonylContact O-C 3.51Å; E753-A756 WeakPolarHBondContact O-CA 3.37Å; E753-A756 WeakPolarHBondContact O-CB 3.38Å; E753-A756 PolarHBondContact O-N 2.92Å; L754-A756 VanDerWaalsContact C-N 3.28Å; L754-A756 PolarHBondContact O-N 3.1Å; A756-K759 PolarHBondContact O-N 3.48Å; A756-S760 PolarHBondContact O-N 3.4Å; A756-S760 PolarHBondContact O-OG 2.65Å
757R95.6Very high95.7Very high95 Ų9599.8 Ų99.836%0.35850%0.502SS..Hα-helixtrans-61.7-44.6173.6-66.1162.4-171.4159.9-3.1110.6E750 E753 L754 S760 Q761E750-R757 IonicContact OE1-NH2 3.35Å; E750-R757 IonicContact OE2-CZ 3.35Å; E750-R757 IonicContact OE2-NH1 2.68Å; E750-R757 PolarHBondContact OE2-NH1 2.75Å; E750-R757 IonicContact OE2-NH2 2.79Å; E753-R757 WeakPolarHBondContact O-CB 3.45Å; E753-R757 WeakPolarHBondContact O-CG 3.47Å; E753-R757 PolarHBondContact O-N 2.9Å; E753-R757 IonicContact OE2-CZ 3.68Å; E753-R757 IonicContact OE2-NE 3.68Å; E753-R757 IonicContact OE2-NH2 2.64Å; E753-R757 PolarHBondContact OE2-NH2 2.71Å; L754-R757 PolarHBondContact O-N 3.35Å; R757-S760 PolarHBondContact O-N 2.92Å; R757-S760 PolarHBondContact O-OG 3.38Å; R757-Q761 WeakPolarHBondContact O-CB 3.42Å; R757-Q761 VanDerWaalsContact O-CG 3.28Å; R757-Q761 WeakPolarHBondContact O-CG 3.29Å; R757-Q761 PolarHBondContact O-N 3.04Å
758E96Very high95.7Very high129 Ų12999.9 Ų99.960%0.60351%0.507SS*.Hα-helixtrans-62.3-46.9174.4-175.8-174.1-159.500111.6L754 S760 Q761 A762L754-E758 VanDerWaalsContact O-CB 3.3Å; L754-E758 WeakPolarHBondContact O-CB 3.5Å; L754-E758 PolarHBondContact O-N 2.98Å; E758-S760 VanDerWaalsContact C-N 3.35Å; E758-S760 PolarHBondContact O-N 2.84Å; E758-Q761 PolarHBondContact O-N 3.39Å; E758-A762 WeakPolarHBondContact O-CB 3.19Å; E758-A762 PolarHBondContact O-N 3.24Å
759K96.2Very high95.7Very high138 Ų138102.9 Ų102.960%0.651%0.512SS*.Hα-helixtrans-60-41.3176.3-78.2169.2-174.5176.10112.6K755 A756 A762 Q763K755-K759 WeakPolarHBondContact O-CB 3.46Å; K755-K759 WeakPolarHBondContact O-CD 3.39Å; K755-K759 WeakPolarHBondContact O-CG 3.32Å; K755-K759 PolarHBondContact O-N 2.79Å; K755-K759 VanDerWaalsContact O-N 3.15Å; A756-K759 PolarHBondContact O-N 3.48Å; K759-A762 PolarHBondContact O-N 3.16Å; K759-Q763 WeakPolarHBondContact O-CB 3.44Å; K759-Q763 VanDerWaalsContact O-CG 3.27Å; K759-Q763 WeakPolarHBondContact O-CG 3.4Å; K759-Q763 PolarHBondContact O-N 3.4Å
760S93.8Very high95.6Very high61 Ų61104.5 Ų104.543%0.42751%0.514SS..Hα-helixtrans-71.3-38178.7690000111.9A756 R757 E758 Q763 T764A756-S760 PolarHBondContact O-N 3.4Å; A756-S760 PolarHBondContact O-OG 2.65Å; R757-S760 PolarHBondContact O-N 2.92Å; R757-S760 PolarHBondContact O-OG 3.38Å; E758-S760 VanDerWaalsContact C-N 3.35Å; E758-S760 PolarHBondContact O-N 2.84Å; S760-Q763 PolarHBondContact O-N 3.08Å; S760-T764 WeakPolarHBondContact O-CG2 3.36Å; S760-T764 PolarHBondContact O-N 3.36Å; S760-T764 PolarHBondContact O-OG1 2.84Å
761Q94.1Very high95.7Very high123 Ų123104.3 Ų104.358%0.57551%0.513SS*.Hα-helixtrans-62.7-43170.6-72176.111.900112.3R757 E758 Q763 T764 L765R757-Q761 WeakPolarHBondContact O-CB 3.42Å; R757-Q761 VanDerWaalsContact O-CG 3.28Å; R757-Q761 WeakPolarHBondContact O-CG 3.29Å; R757-Q761 PolarHBondContact O-N 3.04Å; E758-Q761 PolarHBondContact O-N 3.39Å; Q761-Q763 VanDerWaalsContact C-N 3.3Å; Q761-Q763 PolarHBondContact O-N 2.98Å; Q761-T764 PolarHBondContact O-N 2.91Å; Q761-T764 PolarHBondContact O-OG1 3.28Å; Q761-L765 WeakPolarHBondContact O-CB 3.48Å; Q761-L765 VanDerWaalsContact O-CG 3.27Å; Q761-L765 WeakPolarHBondContact O-CG 3.5Å; Q761-L765 PolarHBondContact O-N 2.9Å
762A96.1Very high95.7Very high56 Ų56104.2 Ų104.246%0.46352%0.516SS..Hα-helixtrans-62.6-37.7174.800000111.9E758 K759 H766E758-A762 WeakPolarHBondContact O-CB 3.19Å; E758-A762 PolarHBondContact O-N 3.24Å; K759-A762 PolarHBondContact O-N 3.16Å; A762-H766 VanDerWaalsContact O-CB 3.27Å; A762-H766 WeakPolarHBondContact O-CB 3.49Å; A762-H766 PolarHBondContact O-N 3.27Å
763Q95.9Very high95.7Very high136 Ų136105.2 Ų105.264%0.63651%0.514SS*.Hα-helixtrans-68.2-41.9174.7-74.6175.616.700112.9K759 S760 Q761 H766 K767K759-Q763 WeakPolarHBondContact O-CB 3.44Å; K759-Q763 VanDerWaalsContact O-CG 3.27Å; K759-Q763 WeakPolarHBondContact O-CG 3.4Å; K759-Q763 PolarHBondContact O-N 3.4Å; S760-Q763 PolarHBondContact O-N 3.08Å; Q761-Q763 VanDerWaalsContact C-N 3.3Å; Q761-Q763 PolarHBondContact O-N 2.98Å; Q763-H766 PolarHBondContact O-N 3.32Å; Q763-K767 WeakPolarHBondContact O-CB 3.36Å; Q763-K767 PolarHBondContact O-N 2.98Å
764T95.1Very high95.6Very high84 Ų84102.5 Ų102.552%0.51551%0.506SS..Hα-helixtrans-68.7-42.3176.456.20000111.4S760 Q761 H766 K767 V768S760-T764 WeakPolarHBondContact O-CG2 3.36Å; S760-T764 PolarHBondContact O-N 3.36Å; S760-T764 PolarHBondContact O-OG1 2.84Å; Q761-T764 PolarHBondContact O-N 2.91Å; Q761-T764 PolarHBondContact O-OG1 3.28Å; T764-H766 VanDerWaalsContact C-N 3.32Å; T764-H766 PolarHBondContact O-N 2.96Å; T764-K767 WeakPolarHBondContact O-CA 3.29Å; T764-K767 WeakPolarHBondContact O-CB 3.37Å; T764-K767 PolarHBondContact O-N 3.2Å; T764-V768 WeakPolarHBondContact O-CG2 3.48Å; T764-V768 PolarHBondContact O-N 3.4Å
765L95.4Very high95.7Very high122 Ų122104.4 Ų104.464%0.63951%0.51SS*.Hα-helixtrans-57.8-42.9170.7-72.6171.4000111.7Q761 K767 V768 K769Q761-L765 WeakPolarHBondContact O-CB 3.48Å; Q761-L765 VanDerWaalsContact O-CG 3.27Å; Q761-L765 WeakPolarHBondContact O-CG 3.5Å; Q761-L765 PolarHBondContact O-N 2.9Å; L765-K767 VanDerWaalsContact C-N 3.32Å; L765-K767 PolarHBondContact O-N 3.37Å; L765-V768 PolarHBondContact O-N 3.04Å; L765-K769 VanDerWaalsContact O-CB 3.22Å; L765-K769 WeakPolarHBondContact O-CB 3.46Å; L765-K769 PolarHBondContact O-N 3.1Å
766H95.6Very high95.5Very high100 Ų100103.5 Ų103.546%0.46351%0.509SS..Hα-helixtrans-69.6-26.2175.4-173.2-124000113.3A762 Q763 T764 R770A762-H766 VanDerWaalsContact O-CB 3.27Å; A762-H766 WeakPolarHBondContact O-CB 3.49Å; A762-H766 PolarHBondContact O-N 3.27Å; Q763-H766 PolarHBondContact O-N 3.32Å; T764-H766 VanDerWaalsContact C-N 3.32Å; T764-H766 PolarHBondContact O-N 2.96Å; H766-R770 PolarHBondContact CE1-NE 3.24Å; H766-R770 WeakPolarHBondContact O-CG 3.25Å; H766-R770 PolarHBondContact O-N 3.32Å; H766-R770 PolarHBondContact O-NE 3.38Å
767K96.3Very high95.4Very high113 Ų113107 Ų10749%0.49152%0.516SS..Hα-helixtrans-71-53170.5-168.4-178.8-176.4-94.20110.7Q763 T764 L765 K769 R770 E771Q763-K767 WeakPolarHBondContact O-CB 3.36Å; Q763-K767 PolarHBondContact O-N 2.98Å; T764-K767 WeakPolarHBondContact O-CA 3.29Å; T764-K767 WeakPolarHBondContact O-CB 3.37Å; T764-K767 PolarHBondContact O-N 3.2Å; L765-K767 VanDerWaalsContact C-N 3.32Å; L765-K767 PolarHBondContact O-N 3.37Å; K767-K769 VanDerWaalsContact C-N 3.3Å; K767-K769 PolarHBondContact O-N 3.19Å; K767-R770 WeakPolarHBondContact O-CA 3.44Å; K767-R770 WeakPolarHBondContact O-CB 3.25Å; K767-R770 PolarHBondContact O-N 3.41Å; K767-E771 VanDerWaalsContact CE-OE1 3.29Å; K767-E771 WeakPolarHBondContact CE-OE1 3.46Å; K767-E771 WeakPolarHBondContact CG-OE1 3.13Å; K767-E771 IonicContact NZ-OE1 3.51Å; K767-E771 PolarHBondContact NZ-OE1 3.41Å; K767-E771 WeakPolarHBondContact O-CG 3.41Å; K767-E771 PolarHBondContact O-N 3.08Å
768V96.1Very high95.4Very high89 Ų89108.8 Ų108.854%0.53953%0.526SS..Hα-helixtrans-58.5-40.6177.6174.10000111.4T764 L765 R770 E771 L772T764-V768 WeakPolarHBondContact O-CG2 3.48Å; T764-V768 PolarHBondContact O-N 3.4Å; L765-V768 PolarHBondContact O-N 3.04Å; V768-R770 VanDerWaalsContact C-N 3.32Å; V768-R770 PolarHBondContact O-N 2.98Å; V768-E771 PolarHBondContact O-N 2.93Å; V768-L772 WeakPolarHBondContact O-CB 3.37Å; V768-L772 PolarHBondContact O-N 3.17Å
769K95.8Very high95.3Very high123 Ų123107.5 Ų107.554%0.53552%0.52SS..Hα-helixtrans-64.4-32175.5-171.1171.9-175.2172.80113.1L765 K767 R773L765-K769 VanDerWaalsContact O-CB 3.22Å; L765-K769 WeakPolarHBondContact O-CB 3.46Å; L765-K769 PolarHBondContact O-N 3.1Å; K767-K769 VanDerWaalsContact C-N 3.3Å; K767-K769 PolarHBondContact O-N 3.19Å; K769-R773 WeakPolarHBondContact O-CB 3.42Å; K769-R773 WeakPolarHBondContact O-CD 3.17Å; K769-R773 VanDerWaalsContact O-CG 3.24Å; K769-R773 WeakPolarHBondContact O-CG 3.49Å; K769-R773 PolarHBondContact O-N 2.97Å
770R95.3Very high95.1Very high133 Ų133105.1 Ų105.150%0.50251%0.513SS..Hα-helixtrans-76.3-40.3172.6-77.2177.5-69.1155.4-1112H766 K767 V768 R773 S774H766-R770 PolarHBondContact CE1-NE 3.24Å; H766-R770 WeakPolarHBondContact O-CG 3.25Å; H766-R770 PolarHBondContact O-N 3.32Å; H766-R770 PolarHBondContact O-NE 3.38Å; K767-R770 WeakPolarHBondContact O-CA 3.44Å; K767-R770 WeakPolarHBondContact O-CB 3.25Å; K767-R770 PolarHBondContact O-N 3.41Å; V768-R770 VanDerWaalsContact C-N 3.32Å; V768-R770 PolarHBondContact O-N 2.98Å; R770-R773 PolarHBondContact O-N 3.28Å; R770-S774 WeakPolarHBondContact O-CB 3.37Å; R770-S774 PolarHBondContact O-N 2.92Å
771E95.7Very high94.9Very high87 Ų87106.8 Ų106.841%0.40751%0.514SS..Hα-helixtrans-63.6-42.2175.7-71.5172.3-172.500111.6K767 V768 S774 K775K767-E771 VanDerWaalsContact CE-OE1 3.29Å; K767-E771 WeakPolarHBondContact CE-OE1 3.46Å; K767-E771 WeakPolarHBondContact CG-OE1 3.13Å; K767-E771 IonicContact NZ-OE1 3.51Å; K767-E771 PolarHBondContact NZ-OE1 3.41Å; K767-E771 WeakPolarHBondContact O-CG 3.41Å; K767-E771 PolarHBondContact O-N 3.08Å; V768-E771 PolarHBondContact O-N 2.93Å; E771-S774 PolarHBondContact O-N 3.21Å; E771-K775 WeakPolarHBondContact O-CG 3.47Å; E771-K775 PolarHBondContact O-N 3.07Å
772L96.5Very high94.8Very high101 Ų101107.1 Ų107.153%0.52952%0.515SS..Hα-helixtrans-62.7-45.2173179.361.7000111.7V768 S774 K775 M776V768-L772 WeakPolarHBondContact O-CB 3.37Å; V768-L772 PolarHBondContact O-N 3.17Å; L772-S774 PolarHBondContact O-N 2.89Å; L772-K775 PolarHBondContact O-N 2.89Å; L772-M776 HydrophobicContact CD1-CG 4.46Å; L772-M776 HydrophobicContact CG-SD 4.39Å; L772-M776 WeakPolarHBondContact O-CG 3.42Å; L772-M776 PolarHBondContact O-N 3.3Å
773R95.8Very high94.4Very high156 Ų156109 Ų10959%0.58952%0.517SS*.Hα-helixtrans-57.9-46.1174.1-80.6171169.5-173.6-6.8111.9K769 R770 K775 M776 E777K769-R773 WeakPolarHBondContact O-CB 3.42Å; K769-R773 WeakPolarHBondContact O-CD 3.17Å; K769-R773 VanDerWaalsContact O-CG 3.24Å; K769-R773 WeakPolarHBondContact O-CG 3.49Å; K769-R773 PolarHBondContact O-N 2.97Å; R770-R773 PolarHBondContact O-N 3.28Å; R773-K775 VanDerWaalsContact C-N 3.32Å; R773-K775 PolarHBondContact O-N 3.45Å; R773-M776 PolarHBondContact O-N 3.11Å; R773-E777 WeakPolarHBondContact O-CB 3.46Å; R773-E777 PolarHBondContact O-N 3.38Å
774S95.3Very high93.9Very high43 Ų43107.2 Ų107.230%0.30151%0.509SS..Hα-helixtrans-69.7-27.2179-170.40000113.1R770 E771 L772 K778R770-S774 WeakPolarHBondContact O-CB 3.37Å; R770-S774 PolarHBondContact O-N 2.92Å; E771-S774 PolarHBondContact O-N 3.21Å; L772-S774 PolarHBondContact O-N 2.89Å; S774-K778 WeakPolarHBondContact O-CB 3.39Å; S774-K778 WeakPolarHBondContact O-CD 3.37Å; S774-K778 VanDerWaalsContact O-CG 3.22Å; S774-K778 WeakPolarHBondContact O-CG 3.3Å; S774-K778 PolarHBondContact O-N 3.3Å; S774-K778 VanDerWaalsContact O-N 3.09Å
775K96.2Very high93.4Very high131 Ų131106 Ų10657%0.5750%0.499SS*.Hα-helixtrans-67.1-52.4168-76.2-179.4177.6-173.40111.3E771 L772 R773 E777 K778 E779E771-K775 WeakPolarHBondContact O-CG 3.47Å; E771-K775 PolarHBondContact O-N 3.07Å; L772-K775 PolarHBondContact O-N 2.89Å; R773-K775 VanDerWaalsContact C-N 3.32Å; R773-K775 PolarHBondContact O-N 3.45Å; K775-E777 VanDerWaalsContact C-N 3.28Å; K775-E777 PolarHBondContact O-N 2.94Å; K775-K778 CarbonylContact O-C 3.5Å; K775-K778 PolarHBondContact O-N 3.4Å; K775-K778 VanDerWaalsContact O-N 3.08Å; K775-E779 WeakPolarHBondContact O-CG 3.42Å; K775-E779 PolarHBondContact O-N 2.87Å
776M92.8Very high92.8Very high97 Ų97104.8 Ų104.848%0.47849%0.491SS..Hα-helixtrans-58.7-39.6176.6-68.7178.268.300112.2L772 R773 E779 I780L772-M776 HydrophobicContact CD1-CG 4.46Å; L772-M776 HydrophobicContact CG-SD 4.39Å; L772-M776 WeakPolarHBondContact O-CG 3.42Å; L772-M776 PolarHBondContact O-N 3.3Å; R773-M776 PolarHBondContact O-N 3.11Å; M776-E779 PolarHBondContact O-N 2.68Å; M776-I780 VanDerWaalsContact O-CB 3.31Å; M776-I780 WeakPolarHBondContact O-CB 2.85Å; M776-I780 WeakPolarHBondContact O-CD1 3.19Å; M776-I780 WeakPolarHBondContact O-CG1 3.34Å; M776-I780 PolarHBondContact O-N 2.67Å
777E94.9Very high92.1Very high131 Ų131105.8 Ų105.861%0.61250%0.499SS*.Hα-helixtrans-62.3-41.2175.3-177.5174.9-137.500111.7R773 K775 Q781R773-E777 WeakPolarHBondContact O-CB 3.46Å; R773-E777 PolarHBondContact O-N 3.38Å; K775-E777 VanDerWaalsContact C-N 3.28Å; K775-E777 PolarHBondContact O-N 2.94Å; E777-Q781 WeakPolarHBondContact O-CB 3.46Å; E777-Q781 PolarHBondContact O-N 3.1Å
778K94.4Very high91Very high131 Ų131105.3 Ų105.357%0.5751%0.506SS*.Hα-helixtrans-70.4-37.4173.2-73.6171.5-176-175.10113.3S774 K775 Q781 Q782S774-K778 WeakPolarHBondContact O-CB 3.39Å; S774-K778 WeakPolarHBondContact O-CD 3.37Å; S774-K778 VanDerWaalsContact O-CG 3.22Å; S774-K778 WeakPolarHBondContact O-CG 3.3Å; S774-K778 PolarHBondContact O-N 3.3Å; S774-K778 VanDerWaalsContact O-N 3.09Å; K775-K778 CarbonylContact O-C 3.5Å; K775-K778 PolarHBondContact O-N 3.4Å; K775-K778 VanDerWaalsContact O-N 3.08Å; K778-Q781 PolarHBondContact O-N 2.9Å; K778-Q782 WeakPolarHBondContact O-CB 3.4Å; K778-Q782 VanDerWaalsContact O-CG 3.22Å; K778-Q782 WeakPolarHBondContact O-CG 3.26Å; K778-Q782 PolarHBondContact O-N 3.26Å
779E94.9Very high89.6Confident103 Ų103107.7 Ų107.748%0.48151%0.511SS..Hα-helixtrans-66.7-41.7175.3-72.3160.4-158.400110.4K775 M776 Q782 L783K775-E779 WeakPolarHBondContact O-CG 3.42Å; K775-E779 PolarHBondContact O-N 2.87Å; M776-E779 PolarHBondContact O-N 2.68Å; E779-Q782 PolarHBondContact O-N 3.04Å; E779-L783 WeakPolarHBondContact O-CB 3.31Å; E779-L783 VanDerWaalsContact O-CG 3.25Å; E779-L783 WeakPolarHBondContact O-CG 3.35Å; E779-L783 PolarHBondContact O-N 3.5Å
780I91.5Very high88.2Confident88 Ų88106.2 Ų106.245%0.45151%0.509SS..Hα-helixtrans-63-44.7172-70.9163.4000110.6M776 L783 Q784M776-I780 VanDerWaalsContact O-CB 3.31Å; M776-I780 WeakPolarHBondContact O-CB 2.85Å; M776-I780 WeakPolarHBondContact O-CD1 3.19Å; M776-I780 WeakPolarHBondContact O-CG1 3.34Å; M776-I780 PolarHBondContact O-N 2.67Å; I780-L783 PolarHBondContact O-N 3.18Å; I780-Q784 HydrophobicContact CG2-CG 4.48Å; I780-Q784 WeakPolarHBondContact O-CB 3.29Å; I780-Q784 VanDerWaalsContact O-CG 3.31Å; I780-Q784 WeakPolarHBondContact O-CG 3.46Å; I780-Q784 PolarHBondContact O-N 2.97Å
781Q90.3Very high86.7Confident95 Ų95105 Ų10544%0.44451%0.513SS..Hα-helixtrans-62.7-43.8176.1-170.365.16000111.2E777 K778 L783 Q784 D785E777-Q781 WeakPolarHBondContact O-CB 3.46Å; E777-Q781 PolarHBondContact O-N 3.1Å; K778-Q781 PolarHBondContact O-N 2.9Å; Q781-L783 VanDerWaalsContact C-N 3.33Å; Q781-L783 PolarHBondContact O-N 3.39Å; Q781-Q784 CarbonylContact O-C 3.54Å; Q781-Q784 PolarHBondContact O-N 2.9Å; Q781-Q784 VanDerWaalsContact O-N 3.16Å; Q781-D785 PolarHBondContact NE2-OD1 2.68Å; Q781-D785 WeakPolarHBondContact O-CB 3.48Å; Q781-D785 PolarHBondContact O-N 2.99Å
782Q90.4Very high85.1Confident131 Ų131105 Ų10561%0.61252%0.515SS*.Hα-helixtrans-61.9-38.3175.7-77.3171.7-16.700112.5K778 E779 M786K778-Q782 WeakPolarHBondContact O-CB 3.4Å; K778-Q782 VanDerWaalsContact O-CG 3.22Å; K778-Q782 WeakPolarHBondContact O-CG 3.26Å; K778-Q782 PolarHBondContact O-N 3.26Å; E779-Q782 PolarHBondContact O-N 3.04Å; Q782-M786 WeakPolarHBondContact O-CB 3.5Å; Q782-M786 PolarHBondContact O-N 3.04Å
783L88.8Confident83.8Confident96 Ų96105.4 Ų105.450%0.50352%0.518SS..Hα-helixtrans-68-38.9173.8-71.2169.9000111.8E779 I780 Q781 M786 I787E779-L783 WeakPolarHBondContact O-CB 3.31Å; E779-L783 VanDerWaalsContact O-CG 3.25Å; E779-L783 WeakPolarHBondContact O-CG 3.35Å; E779-L783 PolarHBondContact O-N 3.5Å; I780-L783 PolarHBondContact O-N 3.18Å; Q781-L783 VanDerWaalsContact C-N 3.33Å; Q781-L783 PolarHBondContact O-N 3.39Å; L783-M786 HydrophobicContact CD2-CE 3.79Å; L783-I787 WeakPolarHBondContact O-CB 3.05Å; L783-I787 WeakPolarHBondContact O-CD1 3.45Å; L783-I787 WeakPolarHBondContact O-CG1 3.49Å; L783-I787 PolarHBondContact O-N 3.48Å
784Q84.9Confident82.5Confident97 Ų97101.5 Ų101.545%0.45351%0.511SS..Hα-helixtrans-66.4-48174.3-73.4173-1.400111.6I780 Q781 M786 I787 T788I780-Q784 HydrophobicContact CG2-CG 4.48Å; I780-Q784 WeakPolarHBondContact O-CB 3.29Å; I780-Q784 VanDerWaalsContact O-CG 3.31Å; I780-Q784 WeakPolarHBondContact O-CG 3.46Å; I780-Q784 PolarHBondContact O-N 2.97Å; Q781-Q784 CarbonylContact O-C 3.54Å; Q781-Q784 PolarHBondContact O-N 2.9Å; Q781-Q784 VanDerWaalsContact O-N 3.16Å; Q784-M786 VanDerWaalsContact C-N 3.33Å; Q784-M786 PolarHBondContact O-N 3.1Å; Q784-I787 WeakPolarHBondContact O-CB 3.42Å; Q784-I787 PolarHBondContact O-N 3.4Å; Q784-I787 VanDerWaalsContact O-N 3.12Å; Q784-T788 PolarHBondContact O-N 3Å; Q784-T788 PolarHBondContact O-OG1 3.03Å
785D85.4Confident81.5Confident58 Ų58104.8 Ų104.831%0.3152%0.52SS..Hα-helixtrans-55.7-48.5176-67.6-8.1000109.8Q781 I787 T788 Q789Q781-D785 PolarHBondContact NE2-OD1 2.68Å; Q781-D785 WeakPolarHBondContact O-CB 3.48Å; Q781-D785 PolarHBondContact O-N 2.99Å; D785-I787 PolarHBondContact O-N 3.49Å; D785-T788 WeakPolarHBondContact CA-OG1 3.4Å; D785-T788 CarbonylContact O-C 3.49Å; D785-T788 PolarHBondContact O-N 2.67Å; D785-T788 VanDerWaalsContact O-N 3.09Å; D785-T788 PolarHBondContact O-OG1 3.18Å; D785-Q789 VanDerWaalsContact O-CB 3.31Å; D785-Q789 WeakPolarHBondContact O-CB 3.28Å; D785-Q789 VanDerWaalsContact O-CG 3.26Å; D785-Q789 WeakPolarHBondContact O-CG 3.36Å; D785-Q789 PolarHBondContact O-N 3.04Å
786M82.1Confident80.4Confident97 Ų97103.9 Ų103.948%0.47852%0.516SS..Hα-helixtrans-60.9-41.1175.5-177.5-17671.100112.8Q782 L783 Q784 T788 Q789 N790Q782-M786 WeakPolarHBondContact O-CB 3.5Å; Q782-M786 PolarHBondContact O-N 3.04Å; L783-M786 HydrophobicContact CD2-CE 3.79Å; Q784-M786 VanDerWaalsContact C-N 3.33Å; Q784-M786 PolarHBondContact O-N 3.1Å; M786-T788 VanDerWaalsContact C-N 3.26Å; M786-T788 PolarHBondContact O-N 2.73Å; M786-Q789 PolarHBondContact O-N 3.05Å; M786-N790 PolarHBondContact O-N 2.96Å; M786-N790 VanDerWaalsContact O-N 3.08Å; M786-N790 PolarHBondContact O-ND2 3.39Å
787I80.1Confident79.7Confident122 Ų122106.3 Ų106.363%0.62652%0.52SS*.Hα-helixtrans-62.5-34.9174-73.2163000111.1L783 Q784 D785L783-I787 WeakPolarHBondContact O-CB 3.05Å; L783-I787 WeakPolarHBondContact O-CD1 3.45Å; L783-I787 WeakPolarHBondContact O-CG1 3.49Å; L783-I787 PolarHBondContact O-N 3.48Å; Q784-I787 WeakPolarHBondContact O-CB 3.42Å; Q784-I787 PolarHBondContact O-N 3.4Å; Q784-I787 VanDerWaalsContact O-N 3.12Å; D785-I787 PolarHBondContact O-N 3.49Å
788T73.9Confident78.9Confident103 Ų103106.3 Ų106.363%0.63252%0.52SS*.Hα-helixtrans-86.1-16.5177.458.10000115.2Q784 D785 M786Q784-T788 PolarHBondContact O-N 3Å; Q784-T788 PolarHBondContact O-OG1 3.03Å; D785-T788 WeakPolarHBondContact CA-OG1 3.4Å; D785-T788 CarbonylContact O-C 3.49Å; D785-T788 PolarHBondContact O-N 2.67Å; D785-T788 VanDerWaalsContact O-N 3.09Å; D785-T788 PolarHBondContact O-OG1 3.18Å; M786-T788 VanDerWaalsContact C-N 3.26Å; M786-T788 PolarHBondContact O-N 2.73Å
789Q66Low78.3Confident139 Ų139102.9 Ų102.965%0.6551%0.508SS*.Hα-helixtrans-98.1-8.8178.8-73.4173.929.400113.1D785 M786 D791D785-Q789 VanDerWaalsContact O-CB 3.31Å; D785-Q789 WeakPolarHBondContact O-CB 3.28Å; D785-Q789 VanDerWaalsContact O-CG 3.26Å; D785-Q789 WeakPolarHBondContact O-CG 3.36Å; D785-Q789 PolarHBondContact O-N 3.04Å; M786-Q789 PolarHBondContact O-N 3.05Å; Q789-D791 PolarHBondContact O-N 3.33Å
790N67Low77.7Confident91 Ų91102.6 Ų102.649%0.48751%0.507SS..  trans-71.481.8164.2-75.4-20.3000109M786 D792M786-N790 PolarHBondContact O-N 2.96Å; M786-N790 VanDerWaalsContact O-N 3.08Å; M786-N790 PolarHBondContact O-ND2 3.39Å; N790-D792 PolarHBondContact O-N 3.47Å
791D63Low77.2Confident109 Ų109100.5 Ų100.558%0.58350%0.502SS*.THydrogen-bonded Turntrans-6528.5168-78.4-43.5000112.8Q789 D793 V794 F795Q789-D791 PolarHBondContact O-N 3.33Å; D791-D793 PolarHBondContact O-N 3.05Å; D791-V794 HydrophobicContact CB-CB 4.17Å; D791-V794 HydrophobicContact CB-CG2 3.88Å; D791-V794 WeakPolarHBondContact O-CA 3.45Å; D791-V794 WeakPolarHBondContact O-CB 3.33Å; D791-V794 PolarHBondContact O-N 2.81Å; D791-F795 PolarHBondContact O-N 3.33Å
792D63.5Low76.7Confident85 Ų85101.5 Ų101.546%0.45551%0.507SS..Hα-helixtrans-54-33.5166.2-79.7-26000110.4N790 V794 F795 F796N790-D792 PolarHBondContact O-N 3.47Å; D792-V794 VanDerWaalsContact C-N 3.32Å; D792-V794 PolarHBondContact O-N 3.35Å; D792-F795 PolarHBondContact O-N 2.99Å; D792-F796 HydrophobicContact CB-CD2 4.17Å; D792-F796 HydrophobicContact CB-CE2 3.95Å; D792-F796 WeakPolarHBondContact O-CB 3.45Å; D792-F796 WeakPolarHBondContact O-CD2 3.49Å; D792-F796 WeakPolarHBondContact O-CG 3.41Å; D792-F796 PolarHBondContact O-N 3.43Å
793D67.8Low76.3Confident111 Ų111103.7 Ų103.759%0.59451%0.509SS*.Hα-helixtrans-60.9-38.3171.7-110-14.3000111.7D791 R797D791-D793 PolarHBondContact O-N 3.05Å; D793-R797 VanDerWaalsContact O-CB 3.32Å; D793-R797 WeakPolarHBondContact O-CB 3.3Å; D793-R797 WeakPolarHBondContact O-CG 3.44Å; D793-R797 PolarHBondContact O-N 2.93Å
794V69.2Low76Confident73 Ų73105.6 Ų105.644%0.44251%0.514SS..Hα-helixtrans-67.4-48.2174-176.10000109.9D791 D792 F796 R797 E798D791-V794 HydrophobicContact CB-CB 4.17Å; D791-V794 HydrophobicContact CB-CG2 3.88Å; D791-V794 WeakPolarHBondContact O-CA 3.45Å; D791-V794 WeakPolarHBondContact O-CB 3.33Å; D791-V794 PolarHBondContact O-N 2.81Å; D792-V794 VanDerWaalsContact C-N 3.32Å; D792-V794 PolarHBondContact O-N 3.35Å; V794-F796 PolarHBondContact O-N 3.07Å; V794-R797 PolarHBondContact O-N 3.37Å; V794-E798 WeakPolarHBondContact O-CG 3.33Å; V794-E798 PolarHBondContact O-N 3.41Å
795F73.6Confident75.6Confident112 Ų112108.6 Ų108.649%0.49152%0.521SS..Hα-helixtrans-58.5-45.2177.7174.4-106.5000112.5D791 D792 E798 L799D791-F795 PolarHBondContact O-N 3.33Å; D792-F795 PolarHBondContact O-N 2.99Å; F795-E798 PolarHBondContact O-N 2.93Å; F795-L799 HydrophobicContact CE1-CD1 3.98Å; F795-L799 HydrophobicContact CE2-CD1 4.28Å; F795-L799 HydrophobicContact CZ-CD1 3.67Å; F795-L799 VanDerWaalsContact O-CB 3.31Å; F795-L799 WeakPolarHBondContact O-CB 3.15Å; F795-L799 PolarHBondContact O-N 3.05Å
796F74.1Confident75.2Confident113 Ų113108.8 Ų108.850%0.49653%0.527SS..Hα-helixtrans-67.5-36176.7-70.7-51.9000112.2D792 V794 L799 E800D792-F796 HydrophobicContact CB-CD2 4.17Å; D792-F796 HydrophobicContact CB-CE2 3.95Å; D792-F796 WeakPolarHBondContact O-CB 3.45Å; D792-F796 WeakPolarHBondContact O-CD2 3.49Å; D792-F796 WeakPolarHBondContact O-CG 3.41Å; D792-F796 PolarHBondContact O-N 3.43Å; V794-F796 PolarHBondContact O-N 3.07Å; F796-L799 PolarHBondContact O-N 3.39Å; F796-E800 WeakPolarHBondContact O-CB 3.48Å; F796-E800 WeakPolarHBondContact O-CG 3.48Å; F796-E800 PolarHBondContact O-N 2.95Å
797R78.1Confident74.9Confident148 Ų148113.7 Ų113.756%0.55854%0.54SS*.Hα-helixtrans-69.6-36.3174.4-68.5-72.2173.5-130-14.3112.5D793 V794 E800 A801D793-R797 VanDerWaalsContact O-CB 3.32Å; D793-R797 WeakPolarHBondContact O-CB 3.3Å; D793-R797 WeakPolarHBondContact O-CG 3.44Å; D793-R797 PolarHBondContact O-N 2.93Å; V794-R797 PolarHBondContact O-N 3.37Å; R797-E800 IonicContact CZ-OE2 3.64Å; R797-E800 IonicContact NH1-OE1 2.71Å; R797-E800 PolarHBondContact NH1-OE1 3.25Å; R797-E800 IonicContact NH1-OE2 3.76Å; R797-E800 PolarHBondContact NH1-OE2 3.45Å; R797-A801 VanDerWaalsContact O-CB 3.31Å; R797-A801 WeakPolarHBondContact O-CB 3.49Å; R797-A801 PolarHBondContact O-N 3.06Å
798E78.1Confident74.5Confident130 Ų130113 Ų11361%0.60754%0.537SS*.Hα-helixtrans-65.9-43.3171.3-72-164.2136.800111.3V794 F795 E800 A801 E802V794-E798 WeakPolarHBondContact O-CG 3.33Å; V794-E798 PolarHBondContact O-N 3.41Å; F795-E798 PolarHBondContact O-N 2.93Å; E798-E800 PolarHBondContact O-N 3.11Å; E798-A801 CarbonylContact O-C 3.49Å; E798-A801 WeakPolarHBondContact O-CA 3.47Å; E798-A801 WeakPolarHBondContact O-CB 3.46Å; E798-A801 PolarHBondContact O-N 3.37Å; E798-A801 VanDerWaalsContact O-N 3.09Å; E798-E802 WeakPolarHBondContact O-CG 3.43Å; E798-E802 PolarHBondContact O-N 3.03Å
799L81.6Confident74.2Confident59 Ų59116 Ų11631%0.30954%0.544SS..Hα-helixtrans-69.9-32.1178.9-155.9152.9000112.2F795 F796 R803F795-L799 HydrophobicContact CE1-CD1 3.98Å; F795-L799 HydrophobicContact CE2-CD1 4.28Å; F795-L799 HydrophobicContact CZ-CD1 3.67Å; F795-L799 VanDerWaalsContact O-CB 3.31Å; F795-L799 WeakPolarHBondContact O-CB 3.15Å; F795-L799 PolarHBondContact O-N 3.05Å; F796-L799 PolarHBondContact O-N 3.39Å; L799-R803 HydrophobicContact CD2-CG 4.43Å; L799-R803 WeakPolarHBondContact O-CB 3.41Å; L799-R803 VanDerWaalsContact O-CG 3.32Å; L799-R803 WeakPolarHBondContact O-CG 3.37Å; L799-R803 PolarHBondContact O-N 2.79Å
800E81.7Confident74.2Confident98 Ų98116.6 Ų116.646%0.45855%0.551SS.*Hα-helixtrans-64.1-43.8164.9-80-177.9165.600112F796 R797 E798 E802 R803 F804F796-E800 WeakPolarHBondContact O-CB 3.48Å; F796-E800 WeakPolarHBondContact O-CG 3.48Å; F796-E800 PolarHBondContact O-N 2.95Å; R797-E800 IonicContact CZ-OE2 3.64Å; R797-E800 IonicContact NH1-OE1 2.71Å; R797-E800 PolarHBondContact NH1-OE1 3.25Å; R797-E800 IonicContact NH1-OE2 3.76Å; R797-E800 PolarHBondContact NH1-OE2 3.45Å; E798-E800 PolarHBondContact O-N 3.11Å; E800-E802 VanDerWaalsContact C-N 3.34Å; E800-E802 PolarHBondContact O-N 3.29Å; E800-R803 PolarHBondContact O-N 3.42Å; E800-F804 WeakPolarHBondContact O-CB 3.28Å; E800-F804 PolarHBondContact O-N 2.84Å
801A80.9Confident73.7Confident43 Ų43115 Ų11536%0.35555%0.551SS.*Hα-helixtrans-65.8-34.6177.300000112.3R797 E798 F804 R805R797-A801 VanDerWaalsContact O-CB 3.31Å; R797-A801 WeakPolarHBondContact O-CB 3.49Å; R797-A801 PolarHBondContact O-N 3.06Å; E798-A801 CarbonylContact O-C 3.49Å; E798-A801 WeakPolarHBondContact O-CA 3.47Å; E798-A801 WeakPolarHBondContact O-CB 3.46Å; E798-A801 PolarHBondContact O-N 3.37Å; E798-A801 VanDerWaalsContact O-N 3.09Å; A801-F804 PolarHBondContact O-N 3.05Å; A801-R805 VanDerWaalsContact O-CG 3.31Å; A801-R805 WeakPolarHBondContact O-CG 3.3Å; A801-R805 PolarHBondContact O-N 3.07Å
802E80.6Confident73.4Confident117 Ų117114.5 Ų114.555%0.54756%0.555SS.*Hα-helixtrans-67.7-47.7170.7-69.8-151.2132.200111.8E798 E800 F804 R805 S806E798-E802 WeakPolarHBondContact O-CG 3.43Å; E798-E802 PolarHBondContact O-N 3.03Å; E800-E802 VanDerWaalsContact C-N 3.34Å; E800-E802 PolarHBondContact O-N 3.29Å; E802-F804 PolarHBondContact O-N 3.29Å; E802-R805 WeakPolarHBondContact O-CB 3.47Å; E802-R805 PolarHBondContact O-N 3.01Å; E802-R805 VanDerWaalsContact O-N 3.09Å; E802-S806 PolarHBondContact O-N 3.43Å; E802-S806 PolarHBondContact O-OG 3.06Å
803R82.5Confident72.8Confident176 Ų176120.3 Ų120.366%0.66458%0.577SS**Hα-helixtrans-56.4-36.5172.3-76.2175.3177-173.52.3112.1L799 E800 R807L799-R803 HydrophobicContact CD2-CG 4.43Å; L799-R803 WeakPolarHBondContact O-CB 3.41Å; L799-R803 VanDerWaalsContact O-CG 3.32Å; L799-R803 WeakPolarHBondContact O-CG 3.37Å; L799-R803 PolarHBondContact O-N 2.79Å; E800-R803 PolarHBondContact O-N 3.42Å; R803-R807 WeakPolarHBondContact O-CB 3.49Å; R803-R807 PolarHBondContact O-N 2.94Å
804F81.4Confident72.1Confident136 Ų136123.2 Ų123.260%0.59659%0.587SS**Hα-helixtrans-68.1-46.3174.6-173.4-101.8000111.5E800 A801 E802 S806 R807 L808E800-F804 WeakPolarHBondContact O-CB 3.28Å; E800-F804 PolarHBondContact O-N 2.84Å; A801-F804 PolarHBondContact O-N 3.05Å; E802-F804 PolarHBondContact O-N 3.29Å; F804-S806 PolarHBondContact O-N 3.08Å; F804-R807 PolarHBondContact O-N 3.37Å; F804-L808 HydrophobicContact CD1-CD1 4.43Å; F804-L808 HydrophobicContact CE1-CD1 3.78Å; F804-L808 HydrophobicContact CZ-CD1 4.25Å; F804-L808 WeakPolarHBondContact O-CB 3.13Å; F804-L808 PolarHBondContact O-N 3.45Å
805R78.1Confident70.9Confident160 Ų160129.2 Ų129.260%0.60460%0.603SS**Hα-helixtrans-56.4-46.5172.5-75.3169.4178.7162.11.5111.9A801 E802 L808 Q809A801-R805 VanDerWaalsContact O-CG 3.31Å; A801-R805 WeakPolarHBondContact O-CG 3.3Å; A801-R805 PolarHBondContact O-N 3.07Å; E802-R805 WeakPolarHBondContact O-CB 3.47Å; E802-R805 PolarHBondContact O-N 3.01Å; E802-R805 VanDerWaalsContact O-N 3.09Å; R805-L808 PolarHBondContact O-N 3.15Å; R805-L808 VanDerWaalsContact O-N 3.15Å; R805-Q809 WeakPolarHBondContact O-CG 3.45Å; R805-Q809 PolarHBondContact O-N 3.38Å
806S76.8Confident69.6Low62 Ų62129.4 Ų129.443%0.43462%0.619SS.*Hα-helixtrans-63.5-41.3177.1-55.40000112.2E802 F804 L808 Q809 L810E802-S806 PolarHBondContact O-N 3.43Å; E802-S806 PolarHBondContact O-OG 3.06Å; F804-S806 PolarHBondContact O-N 3.08Å; S806-L808 VanDerWaalsContact C-N 3.3Å; S806-L808 PolarHBondContact O-N 2.77Å; S806-Q809 PolarHBondContact O-N 3.42Å; S806-L810 PolarHBondContact O-N 3.08Å
807R75.1Confident68.1Low201 Ų201132 Ų13276%0.75863%0.63SS**Hα-helixtrans-61.9-37.3172-85.9-178.4164.8176.7-4.1112.5R803 F804 L810 A811R803-R807 WeakPolarHBondContact O-CB 3.49Å; R803-R807 PolarHBondContact O-N 2.94Å; F804-R807 PolarHBondContact O-N 3.37Å; R807-L810 CarbonylContact O-C 3.52Å; R807-L810 PolarHBondContact O-N 3.19Å; R807-A811 WeakPolarHBondContact O-CB 3.31Å; R807-A811 PolarHBondContact O-N 2.83Å
808L71.7Confident66.4Low108 Ų108130.3 Ų130.357%0.56564%0.64SS**Hα-helixtrans-72.4-34.7179.4-153.3157.2000111.5F804 R805 S806 L810 A811F804-L808 HydrophobicContact CD1-CD1 4.43Å; F804-L808 HydrophobicContact CE1-CD1 3.78Å; F804-L808 HydrophobicContact CZ-CD1 4.25Å; F804-L808 WeakPolarHBondContact O-CB 3.13Å; F804-L808 PolarHBondContact O-N 3.45Å; R805-L808 PolarHBondContact O-N 3.15Å; R805-L808 VanDerWaalsContact O-N 3.15Å; S806-L808 VanDerWaalsContact C-N 3.3Å; S806-L808 PolarHBondContact O-N 2.77Å; L808-L810 VanDerWaalsContact C-N 3.32Å; L808-A811 WeakPolarHBondContact O-CB 3.45Å; L808-A811 PolarHBondContact O-N 2.85Å
809Q66.8Low65.2Low166 Ų166129.9 Ų129.978%0.77665%0.649SS**Hα-helixtrans-67-30.7169.8-72.2171.9-15.600113.1R805 S806R805-Q809 WeakPolarHBondContact O-CG 3.45Å; R805-Q809 PolarHBondContact O-N 3.38Å; S806-Q809 PolarHBondContact O-N 3.42Å
810L66.8Low63.6Low151 Ų151132.4 Ų132.479%0.79167%0.671SS**THydrogen-bonded Turntrans-85.5-4.9173.2-84.8153.5000113.7S806 R807 L808 S812S806-L810 PolarHBondContact O-N 3.08Å; R807-L810 CarbonylContact O-C 3.52Å; R807-L810 PolarHBondContact O-N 3.19Å; L808-L810 VanDerWaalsContact C-N 3.32Å; L810-S812 PolarHBondContact O-N 3.29Å
811A56.3Low61.7Low58 Ų58139.4 Ų139.448%0.47971%0.71SS.*  trans-80.6101.4-176.500000111.3R807 L808 F813R807-A811 WeakPolarHBondContact O-CB 3.31Å; R807-A811 PolarHBondContact O-N 2.83Å; L808-A811 WeakPolarHBondContact O-CB 3.45Å; L808-A811 PolarHBondContact O-N 2.85Å; A811-F813 PolarHBondContact O-N 2.97Å; A811-F813 VanDerWaalsContact O-N 3.16Å
812S55.9Low60.8Low98 Ų98144.2 Ų144.269%0.68573%0.728SS**  trans-62.1115.7168.159.20000110.1L810 Q814L810-S812 PolarHBondContact O-N 3.29Å; S812-Q814 PolarHBondContact O-N 2.98Å; S812-Q814 VanDerWaalsContact O-N 3.08Å
813F51.9Low59.7Low206 Ų206145.6 Ų145.690%0.90474%0.738SS**  trans-62107.4-176.7-124.3-94.9000111.4A811A811-F813 PolarHBondContact O-N 2.97Å; A811-F813 VanDerWaalsContact O-N 3.16Å
814Q53Low58.5Low172 Ų172143.9 Ų143.980%0.80474%0.742SS**  trans-93121.9174.2-70.1-166.3-1.500110.9S812 S816S812-Q814 PolarHBondContact O-N 2.98Å; S812-Q814 VanDerWaalsContact O-N 3.08Å; Q814-S816 PolarHBondContact O-N 3.17Å
815Y44.6Very low57.1Low199 Ų199144.4 Ų144.478%0.7875%0.75SS**  trans-91.287.9-174.3-165.7-84.9000111.1K817Y815-K817 HydrophobicContact CD1-CG 4.06Å; Y815-K817 HydrophobicContact CE1-CG 3.81Å; Y815-K817 PolarHBondContact O-N 2.84Å
816S45.6Very low55.8Low117 Ų117143.4 Ų143.482%0.81876%0.76SS**  trans-78.4116172.553.90000111Q814Q814-S816 PolarHBondContact O-N 3.17Å
817K42.8Very low54.4Low168 Ų168148.9 Ų148.973%0.7378%0.781SS**  trans-81.1128.8175.8-80.6-176.3174.2-179.30112Y815Y815-K817 HydrophobicContact CD1-CG 4.06Å; Y815-K817 HydrophobicContact CE1-CG 3.81Å; Y815-K817 PolarHBondContact O-N 2.84Å
818S42.3Very low52.9Low111 Ų111145.1 Ų145.178%0.77678%0.783SS**  trans66.6166.8148.171.50000117.1
819P52.6Low51.5Low122 Ų122148 Ų14879%0.79280%0.8SS**  cis-119.1-178.12.141.8-28.2000115
820S48.6Very low50.2Low112 Ų112146.5 Ų146.578%0.78380%0.802SS**  trans-76.9143.3178.1520000114.1
821L42.6Very low48.7Very low244 Ų244146.1 Ų146.1100%1.27780%0.803SS**  trans-151.10138.8-115167.9000109.3

Retrieved 821 of 821 residues in 186.9 ms (Link to these results)

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