A0A087YP72_POEFO Loading...

RING-type E3 ubiquitin transferase

AlphaFold DB , UniProt , Accession A0A087YP72, Species POEFO (Poecilia formosa, Amazon molly), Gene n/a, Length 1,105 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
1M34.9Very low68.2Low219 Ų21992.9 Ų92.9100%1.07950%0.499SS*.  0138.10-61.9-9366.600106.8
2P47.3Very low70.2Confident107 Ų10787.5 Ų87.570%0.69547%0.469SS*.PPolyproline II helixtrans-58.2137.6164.5-17.431.3000108.8
3V60.3Low71.9Confident56 Ų5683.5 Ų83.534%0.33945%0.452SS..PPolyproline II helixtrans-74.8136170.3-170.40000107A5 F52V3-A5 PolarHBondContact O-N 3Å; V3-F52 HydrophobicContact CB-CD1 4.03Å; V3-F52 HydrophobicContact CB-CE1 3.69Å; V3-F52 HydrophobicContact CG1-CD1 4.4Å; V3-F52 HydrophobicContact CG1-CE1 3.63Å; V3-F52 HydrophobicContact CG1-CZ 4.34Å; V3-F52 WeakPolarHBondContact O-CD1 3.3Å
4Q60.9Low73.4Confident169 Ų16977.6 Ų77.679%0.7942%0.421SS*.PPolyproline II helixtrans-65126.5175.7-176.6172.6-14.600109.1
5A60.2Low74.6Confident50 Ų5073.3 Ų73.341%0.41340%0.398SS..PPolyproline II helixtrans-58.4146.1178.800000111.5V3 F52V3-A5 PolarHBondContact O-N 3Å; A5-F52 HydrophobicContact CB-CD1 4.26Å
6A65.9Low75.6Confident47 Ų4772.3 Ų72.339%0.38839%0.392SS..PPolyproline II helixtrans-52.8140.1-177.500000111.8W8 P15A6-W8 PolarHBondContact O-N 3.12Å; A6-P15 HydrophobicContact CB-CB 3.95Å; A6-P15 HydrophobicContact CB-CG 4.29Å
7Q78.8Confident76.6Confident110 Ų11070.3 Ų70.351%0.51438%0.384SS..PPolyproline II helixtrans-65.6136.5166.5-60.6-167.96100108.7T9 E10Q7-T9 PolarHBondContact O-N 3.25Å; Q7-E10 HydrophobicContact CB-CB 4.43Å; Q7-E10 HydrophobicContact CB-CG 4.18Å; Q7-E10 PolarHBondContact NE2-OE1 3.09Å; Q7-E10 PolarHBondContact O-N 3.44Å
8W82.1Confident77.5Confident80 Ų8076.1 Ų76.130%0.30340%0.4SS..THydrogen-bonded Turntrans-60.9-14.2-178.775.4-87.3000113.6A6 F11 R128 Q131 R132A6-W8 PolarHBondContact O-N 3.12Å; W8-F11 WeakPolarHBondContact O-CD1 3.33Å; W8-R128 HydrophobicContact CH2-CB 4.23Å; W8-R128 HydrophobicContact CH2-CG 4.32Å; W8-Q131 HydrophobicContact CH2-CB 4.45Å; W8-Q131 HydrophobicContact CZ3-CB 3.97Å; W8-R132 HydrophobicContact CB-CG 4.27Å; W8-R132 HydrophobicContact CD2-CB 3.81Å; W8-R132 HydrophobicContact CD2-CG 3.75Å; W8-R132 HydrophobicContact CE3-CB 3.64Å; W8-R132 HydrophobicContact CE3-CG 4.02Å; W8-R132 HydrophobicContact CG-CB 4.45Å; W8-R132 HydrophobicContact CG-CG 3.86Å; W8-R132 HydrophobicContact CH2-CB 4.26Å; W8-R132 HydrophobicContact CZ2-CB 4.4Å; W8-R132 HydrophobicContact CZ3-CB 3.89Å
9T85.1Confident78.2Confident72 Ų7275.9 Ų75.944%0.44240%0.4SS..THydrogen-bonded Turntrans-84.5-17.2173.545.60000114.2Q7Q7-T9 PolarHBondContact O-N 3.25Å
10E85.9Confident78.9Confident102 Ų10277.8 Ų77.848%0.47741%0.406SS..  trans-10418.1-176.1-64.6171.3164.100111.7Q7 L12 S13Q7-E10 HydrophobicContact CB-CB 4.43Å; Q7-E10 HydrophobicContact CB-CG 4.18Å; Q7-E10 PolarHBondContact NE2-OE1 3.09Å; Q7-E10 PolarHBondContact O-N 3.44Å; E10-L12 PolarHBondContact O-N 3.02Å; E10-S13 PolarHBondContact O-N 3.49Å
11F89.2Confident79.5Confident10 Ų1074.2 Ų74.24%0.04439%0.387CS..THydrogen-bonded Turntrans-62.4-1.3-173.270.5-80.4000116.2W8 L70 L73 L109 I112 V135W8-F11 WeakPolarHBondContact O-CD1 3.33Å; F11-L70 HydrophobicContact CD2-CD2 3.76Å; F11-L70 HydrophobicContact CE2-CD2 4.25Å; F11-L73 HydrophobicContact CE2-CD1 3.78Å; F11-L73 HydrophobicContact CZ-CD1 4.46Å; F11-L109 HydrophobicContact CE2-CB 4.49Å; F11-L109 HydrophobicContact CE2-CD1 3.75Å; F11-L109 HydrophobicContact CZ-CB 4.15Å; F11-L109 HydrophobicContact CZ-CD1 4Å; F11-I112 HydrophobicContact CE1-CD1 4.22Å; F11-I112 HydrophobicContact CE1-CG2 4.39Å; F11-I112 HydrophobicContact CZ-CD1 4.39Å; F11-V135 HydrophobicContact CB-CG1 3.68Å; F11-V135 HydrophobicContact CD1-CG1 4.44Å; F11-V135 HydrophobicContact CD1-CG2 3.94Å; F11-V135 HydrophobicContact CD2-CG1 4.21Å; F11-V135 HydrophobicContact CD2-CG2 3.89Å; F11-V135 HydrophobicContact CE1-CG2 4.05Å; F11-V135 HydrophobicContact CE2-CG2 3.99Å; F11-V135 HydrophobicContact CG-CG1 3.86Å; F11-V135 HydrophobicContact CG-CG2 3.87Å; F11-V135 HydrophobicContact CZ-CG2 4.08Å
12L92.2Very high82.1Confident28 Ų2865.9 Ų65.915%0.14735%0.347CS..THydrogen-bonded Turntrans-100.73.1175.3-59.6179.1000113.2E10 F21 L70 L73 V74E10-L12 PolarHBondContact O-N 3.02Å; L12-F21 VanDerWaalsContact O-CD2 3.25Å; L12-F21 WeakPolarHBondContact O-CD2 3.22Å; L12-F21 PolarHBondContact O-N 2.73Å; L12-L70 HydrophobicContact CD2-CD2 4.12Å; L12-L73 HydrophobicContact CD2-CB 3.61Å; L12-L73 HydrophobicContact CD2-CD1 4.11Å; L12-V74 HydrophobicContact CB-CG2 4.2Å; L12-V74 HydrophobicContact CD2-CG2 4.29Å
13S91.8Very high84Confident36 Ų3663 Ų6325%0.25233%0.33SS..BIsolated β-bridgetrans-125.1149.5178.6-660000112.1E10 P15 N19 F21E10-S13 PolarHBondContact O-N 3.49Å; S13-P15 WeakPolarHBondContact O-CD 3.46Å; S13-N19 CarbonylContact C-O 3.22Å; S13-N19 WeakPolarHBondContact CA-O 3.33Å; S13-F21 WeakPolarHBondContact O-CZ 3.18Å
14C93.1Very high85.1Confident1 Ų164 Ų641%0.00734%0.34CS..  trans-71.9120.5176.2178.90000110.9I16 C17 Y18 N19 F21 C38C14-I16 PolarHBondContact O-N 2.65Å; C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-C17 PolarHBondContact O-N 3.08Å; C14-Y18 VanDerWaalsContact O-CA 3.28Å; C14-Y18 WeakPolarHBondContact O-CA 3.39Å; C14-Y18 PolarHBondContact O-N 3.42Å; C14-N19 PolarHBondContact N-O 3.06Å; C14-F21 HydrophobicContact CB-CD1 4.3Å; C14-F21 HydrophobicContact CB-CE1 3.7Å; C14-F21 HydrophobicContact CB-CZ 4.39Å; C14-C38 HydrophobicContact CB-CB 3.94Å; C14-C38 PolarHBondContact SG-N 3.11Å; C14-C38 VanDerWaalsContact SG-N 3.41Å; C14-C38 PolarHBondContact SG-SG 3.13Å
15P91.2Very high86.1Confident13 Ų1357.3 Ų57.38%0.08432%0.316CS..THydrogen-bonded Turntrans-70.42.3-177.227.1-35000115.6A6 S13 T36 F52A6-P15 HydrophobicContact CB-CB 3.95Å; A6-P15 HydrophobicContact CB-CG 4.29Å; S13-P15 WeakPolarHBondContact O-CD 3.46Å; P15-T36 WeakPolarHBondContact CD-O 3.18Å; P15-F52 HydrophobicContact CB-CE1 4.17Å; P15-F52 HydrophobicContact CB-CZ 3.67Å; P15-F52 HydrophobicContact CG-CE1 4.37Å; P15-F52 HydrophobicContact CG-CE2 3.89Å; P15-F52 HydrophobicContact CG-CZ 3.47Å; P15-F52 VanDerWaalsContact CG-CZ 3.47Å
16I91.4Very high87.5Confident57 Ų5757.1 Ų57.129%0.29231%0.306SS..THydrogen-bonded Turntrans-107-41.8179.2-54-176.8000111.9C14 V37 C41 L45 P51 F52C14-I16 PolarHBondContact O-N 2.65Å; I16-V37 HydrophobicContact CD1-CG1 3.5Å; I16-V37 VanDerWaalsContact CD1-CG1 3.5Å; I16-V37 HydrophobicContact CD1-CG2 4.17Å; I16-V37 HydrophobicContact CG1-CG1 4.2Å; I16-C41 HydrophobicContact CB-CB 4.24Å; I16-C41 HydrophobicContact CD1-CB 4.23Å; I16-C41 HydrophobicContact CG2-CB 4.36Å; I16-L45 HydrophobicContact CD1-CD2 4.5Å; I16-P51 HydrophobicContact CD1-CG 3.65Å; I16-F52 HydrophobicContact CG1-CZ 4.16Å
17C92.6Very high88.8Confident38 Ų3856.8 Ų56.826%0.25730%0.297SS..THydrogen-bonded Turntrans-107.7-4.917965.80000114.4C14 N19C14-C17 VanDerWaalsContact CB-SG 3.58Å; C14-C17 PolarHBondContact O-N 3.08Å; C17-N19 PolarHBondContact O-N 2.96Å; C17-N19 VanDerWaalsContact O-N 3.08Å
18Y91.5Very high89.6Confident174 Ų17451.6 Ų51.668%0.68227%0.272SS*.  trans58.514.8180-52.7-77.5000115.6C14C14-Y18 VanDerWaalsContact O-CA 3.28Å; C14-Y18 WeakPolarHBondContact O-CA 3.39Å; C14-Y18 PolarHBondContact O-N 3.42Å
19N91.4Very high90.1Very high74 Ų7447.8 Ų47.840%0.39626%0.258SS..PPolyproline II helixtrans-83.1142.5171.5-64.9-24.7000110.6S13 C14 C17 H26S13-N19 CarbonylContact C-O 3.22Å; S13-N19 WeakPolarHBondContact CA-O 3.33Å; C14-N19 PolarHBondContact N-O 3.06Å; C17-N19 PolarHBondContact O-N 2.96Å; C17-N19 VanDerWaalsContact O-N 3.08Å; N19-H26 PolarHBondContact ND2-CE1 2.98Å; N19-H26 PolarHBondContact ND2-NE2 2.86Å
20E92Very high90.6Very high112 Ų11244.5 Ų44.552%0.52324%0.238SC..BIsolated β-bridgetrans-57143.8166.3-65172126.400109.5K116E20-K116 IonicContact OE1-NZ 2.68Å; E20-K116 IonicContact OE2-NZ 2.75Å; E20-K116 PolarHBondContact OE2-NZ 3.16Å; E20-K116 VanDerWaalsContact OE2-NZ 3.11Å
21F92.3Very high91Very high3 Ų339.8 Ų39.81%0.01322%0.216CC..PPolyproline II helixtrans-70139.7-179.2-66.9-55.1000111.9L12 S13 C14 H26 P28 T36 C38 L70 V74L12-F21 VanDerWaalsContact O-CD2 3.25Å; L12-F21 WeakPolarHBondContact O-CD2 3.22Å; L12-F21 PolarHBondContact O-N 2.73Å; S13-F21 WeakPolarHBondContact O-CZ 3.18Å; C14-F21 HydrophobicContact CB-CD1 4.3Å; C14-F21 HydrophobicContact CB-CE1 3.7Å; C14-F21 HydrophobicContact CB-CZ 4.39Å; F21-H26 WeakPolarHBondContact CA-O 3.28Å; F21-H26 WeakPolarHBondContact CD1-O 3.4Å; F21-P28 HydrophobicContact CB-CB 4.26Å; F21-P28 HydrophobicContact CB-CG 4.17Å; F21-P28 HydrophobicContact CD1-CB 3.73Å; F21-P28 HydrophobicContact CD1-CG 4.49Å; F21-P28 HydrophobicContact CD2-CB 3.89Å; F21-P28 HydrophobicContact CD2-CG 4.49Å; F21-P28 HydrophobicContact CE1-CB 3.92Å; F21-P28 HydrophobicContact CE2-CB 4.09Å; F21-P28 HydrophobicContact CG-CB 3.71Å; F21-P28 HydrophobicContact CG-CG 4.18Å; F21-P28 HydrophobicContact CZ-CB 4.11Å; F21-T36 HydrophobicContact CE1-CG2 4.5Å; F21-T36 HydrophobicContact CE2-CG2 4.15Å; F21-T36 HydrophobicContact CZ-CG2 3.79Å; F21-C38 HydrophobicContact CD1-CB 4.07Å; F21-C38 HydrophobicContact CE1-CB 4Å; F21-L70 HydrophobicContact CE2-CD1 4.25Å; F21-V74 HydrophobicContact CB-CG2 4.47Å; F21-V74 WeakPolarHBondContact O-CG1 3.07Å
22D90Very high91.1Very high44 Ų4439.5 Ų39.524%0.23522%0.216CC..  trans-134.6164.9-178.871.149.3000112.4S24 G25 H26 Q27 L71D22-S24 VanDerWaalsContact CG-OG 3.32Å; D22-S24 PolarHBondContact O-N 2.64Å; D22-S24 VanDerWaalsContact OD1-C 3.25Å; D22-S24 VanDerWaalsContact OD1-CA 3.22Å; D22-S24 WeakPolarHBondContact OD1-CA 3.45Å; D22-S24 WeakPolarHBondContact OD1-CB 3.44Å; D22-S24 PolarHBondContact OD1-N 2.86Å; D22-S24 PolarHBondContact OD1-OG 3.14Å; D22-G25 PolarHBondContact OD1-N 3.09Å; D22-G25 VanDerWaalsContact OD1-N 3.16Å; D22-H26 PolarHBondContact N-O 3.13Å; D22-H26 VanDerWaalsContact N-O 3.13Å; D22-H26 CarbonylContact O-C 3.4Å; D22-H26 VanDerWaalsContact O-C 3.28Å; D22-H26 PolarHBondContact OD1-N 3.11Å; D22-H26 WeakPolarHBondContact OD2-CB 3.18Å; D22-H26 IonicContact OD2-CE1 3.12Å; D22-H26 IonicContact OD2-CG 3.76Å; D22-H26 IonicContact OD2-ND1 3.86Å; D22-H26 PolarHBondContact OD2-ND1 2.68Å; D22-Q27 WeakPolarHBondContact O-CA 3.42Å; D22-Q27 PolarHBondContact O-N 3.18Å; D22-Q27 VanDerWaalsContact O-N 3.07Å; D22-L71 WeakPolarHBondContact O-CD2 3.12Å
23S85.4Confident91.1Very high46 Ų4639 Ų3932%0.32221%0.214SC..SBendtrans-75.45.2-179.154.60000114.5Q27 Q77S23-Q27 PolarHBondContact O-NE2 2.86Å; S23-Q77 WeakPolarHBondContact CB-O 3.47Å
24S85Confident91.1Very high79 Ų7938.3 Ų38.355%0.55221%0.21SC*.SBendtrans-120.2-111.2-171.769.70000112.2D22 H26 Q27D22-S24 VanDerWaalsContact CG-OG 3.32Å; D22-S24 PolarHBondContact O-N 2.64Å; D22-S24 VanDerWaalsContact OD1-C 3.25Å; D22-S24 VanDerWaalsContact OD1-CA 3.22Å; D22-S24 WeakPolarHBondContact OD1-CA 3.45Å; D22-S24 WeakPolarHBondContact OD1-CB 3.44Å; D22-S24 PolarHBondContact OD1-N 2.86Å; D22-S24 PolarHBondContact OD1-OG 3.14Å; S24-H26 VanDerWaalsContact C-N 3.34Å; S24-H26 PolarHBondContact O-N 3.31Å; S24-Q27 VanDerWaalsContact O-CG 3.3Å; S24-Q27 WeakPolarHBondContact O-CG 3.45Å
25G80.2Confident91.1Very high28 Ų2840.2 Ų40.229%0.28922%0.218SC..THydrogen-bonded Turntrans-69.5-27.4179.500000114D22 T40D22-G25 PolarHBondContact OD1-N 3.09Å; D22-G25 VanDerWaalsContact OD1-N 3.16Å; G25-T40 WeakPolarHBondContact O-CB 3.45Å; G25-T40 PolarHBondContact O-OG1 2.9Å
26H91.3Very high91.2Very high45 Ų4540.1 Ų40.121%0.20822%0.218CC..THydrogen-bonded Turntrans-105.133.5-177.4-50.2101.7000113.2N19 F21 D22 S24 C38N19-H26 PolarHBondContact ND2-CE1 2.98Å; N19-H26 PolarHBondContact ND2-NE2 2.86Å; F21-H26 WeakPolarHBondContact CA-O 3.28Å; F21-H26 WeakPolarHBondContact CD1-O 3.4Å; D22-H26 PolarHBondContact N-O 3.13Å; D22-H26 VanDerWaalsContact N-O 3.13Å; D22-H26 CarbonylContact O-C 3.4Å; D22-H26 VanDerWaalsContact O-C 3.28Å; D22-H26 PolarHBondContact OD1-N 3.11Å; D22-H26 WeakPolarHBondContact OD2-CB 3.18Å; D22-H26 IonicContact OD2-CE1 3.12Å; D22-H26 IonicContact OD2-CG 3.76Å; D22-H26 IonicContact OD2-ND1 3.86Å; D22-H26 PolarHBondContact OD2-ND1 2.68Å; S24-H26 VanDerWaalsContact C-N 3.34Å; S24-H26 PolarHBondContact O-N 3.31Å; H26-C38 HydrophobicContact CB-CB 4.14Å
27Q92.9Very high91.4Very high41 Ų4137.4 Ų37.419%0.19220%0.204CC..  trans-53.9126.1172.1-77.9169.5-0.300111.4D22 S23 S24 I29 C38 K39 V66D22-Q27 WeakPolarHBondContact O-CA 3.42Å; D22-Q27 PolarHBondContact O-N 3.18Å; D22-Q27 VanDerWaalsContact O-N 3.07Å; S23-Q27 PolarHBondContact O-NE2 2.86Å; S24-Q27 VanDerWaalsContact O-CG 3.3Å; S24-Q27 WeakPolarHBondContact O-CG 3.45Å; Q27-I29 PolarHBondContact O-N 3.41Å; Q27-C38 CarbonylContact O-C 3.47Å; Q27-C38 WeakPolarHBondContact O-CA 3.29Å; Q27-K39 HydrophobicContact CB-CB 4.39Å; Q27-K39 PolarHBondContact O-N 2.83Å; Q27-V66 HydrophobicContact CB-CG1 3.94Å; Q27-V66 HydrophobicContact CB-CG2 4.09Å; Q27-V66 HydrophobicContact CG-CG1 4.18Å; Q27-V66 HydrophobicContact CG-CG2 4.28Å
28P94.4Very high91.5Very high0 Ų035.6 Ų35.60%019%0.192CC..EExtended strand (participates in β ladder)trans-74.7123.8179.927.8-30.9000110.6F21 T36 V66 N67 L70 L71F21-P28 HydrophobicContact CB-CB 4.26Å; F21-P28 HydrophobicContact CB-CG 4.17Å; F21-P28 HydrophobicContact CD1-CB 3.73Å; F21-P28 HydrophobicContact CD1-CG 4.49Å; F21-P28 HydrophobicContact CD2-CB 3.89Å; F21-P28 HydrophobicContact CD2-CG 4.49Å; F21-P28 HydrophobicContact CE1-CB 3.92Å; F21-P28 HydrophobicContact CE2-CB 4.09Å; F21-P28 HydrophobicContact CG-CB 3.71Å; F21-P28 HydrophobicContact CG-CG 4.18Å; F21-P28 HydrophobicContact CZ-CB 4.11Å; P28-T36 HydrophobicContact CB-CG2 3.81Å; P28-V66 HydrophobicContact CG-CG1 4.26Å; P28-V66 WeakPolarHBondContact O-CA 3.21Å; P28-N67 HydrophobicContact CB-CB 4.19Å; P28-N67 HydrophobicContact CG-CB 4.11Å; P28-N67 WeakPolarHBondContact CG-O 3.3Å; P28-N67 PolarHBondContact O-N 3.23Å; P28-L70 HydrophobicContact CB-CB 4.43Å; P28-L70 HydrophobicContact CB-CD1 4.15Å; P28-L70 HydrophobicContact CG-CB 4.11Å; P28-L71 HydrophobicContact CG-CD2 4.01Å; P28-L71 HydrophobicContact CG-CG 3.95Å
29I94.1Very high91.5Very high1 Ų129.4 Ų29.41%0.00517%0.168CC..EExtended strand (participates in β ladder)trans-112.8121.1172.3-52.8-59.9000107.7Q27 T36 V37 K39 L42 L64 V66Q27-I29 PolarHBondContact O-N 3.41Å; I29-T36 WeakPolarHBondContact O-CA 3.22Å; I29-V37 PolarHBondContact N-O 3.17Å; I29-V37 PolarHBondContact O-N 2.78Å; I29-V37 VanDerWaalsContact O-O 3.08Å; I29-K39 HydrophobicContact CD1-CB 4.28Å; I29-K39 HydrophobicContact CD1-CD 4.39Å; I29-K39 HydrophobicContact CG1-CB 3.81Å; I29-K39 HydrophobicContact CG1-CG 4.36Å; I29-L42 HydrophobicContact CB-CD1 3.59Å; I29-L42 HydrophobicContact CG1-CD1 4.06Å; I29-L42 HydrophobicContact CG2-CD1 3.64Å; I29-L64 HydrophobicContact CG2-CB 3.67Å; I29-L64 HydrophobicContact CG2-CD1 3.84Å; I29-L64 HydrophobicContact CG2-CG 4.4Å; I29-V66 HydrophobicContact CD1-CB 4.49Å; I29-V66 HydrophobicContact CD1-CG2 3.94Å
30S95Very high91.6Very high2 Ų228.2 Ų28.21%0.01416%0.164CC..EExtended strand (participates in β ladder)trans-83.6142.9169.9-64.10000110T36 N67 N139 Q141S30-T36 PolarHBondContact OG-OG1 2.89Å; S30-N67 PolarHBondContact OG-ND2 3.48Å; S30-N139 WeakPolarHBondContact CB-O 3.32Å; S30-Q141 WeakPolarHBondContact O-CG 3.41Å; S30-Q141 PolarHBondContact O-NE2 2.84Å
31L94.1Very high91.7Very high3 Ų323.5 Ų23.52%0.01614%0.143CC..  trans-103.8159.1173.1-55.7178.7000109.9C33 S34 H35 L42 C50 I57 L64L31-C33 PolarHBondContact O-N 2.87Å; L31-C33 VanDerWaalsContact O-N 3.07Å; L31-S34 WeakPolarHBondContact O-CA 3.48Å; L31-S34 PolarHBondContact O-N 3.13Å; L31-H35 PolarHBondContact N-O 3.46Å; L31-L42 HydrophobicContact CD1-CD2 4.34Å; L31-L42 HydrophobicContact CD2-CD1 4.1Å; L31-L42 HydrophobicContact CD2-CD2 4.33Å; L31-C50 HydrophobicContact CD1-CB 3.98Å; L31-I57 HydrophobicContact CD1-CD1 3.85Å; L31-I57 HydrophobicContact CD1-CG1 4.17Å; L31-I57 HydrophobicContact CD2-CD1 4Å; L31-I57 HydrophobicContact CD2-CG1 4.22Å; L31-I57 HydrophobicContact CD2-CG2 4.33Å; L31-L64 HydrophobicContact CD2-CD1 3.91Å
32G91.1Very high91.7Very high5 Ų523.4 Ų23.45%0.05214%0.143CC..THydrogen-bonded Turntrans-58.3-21.8179.100000114.6S34 E144 R150G32-S34 PolarHBondContact O-N 3.49Å; G32-E144 WeakPolarHBondContact CA-OE2 3.48Å; G32-E144 PolarHBondContact N-OE2 3.21Å; G32-R150 VanDerWaalsContact O-CD 3.25Å; G32-R150 WeakPolarHBondContact O-CD 3.33Å; G32-R150 VanDerWaalsContact O-CZ 3.26Å; G32-R150 PolarHBondContact O-NE 2.79Å; G32-R150 PolarHBondContact O-NH1 3.35Å
33C91.9Very high91.9Very high16 Ų1625.8 Ų25.811%0.10815%0.152CC..THydrogen-bonded Turntrans-76.32.3170.461.60000114.9L31 H35 C50 D53 T55L31-C33 PolarHBondContact O-N 2.87Å; L31-C33 VanDerWaalsContact O-N 3.07Å; C33-H35 VanDerWaalsContact C-N 3.29Å; C33-H35 PolarHBondContact O-N 3.07Å; C33-C50 VanDerWaalsContact SG-SG 3.64Å; C33-D53 VanDerWaalsContact CB-OD2 3.29Å; C33-D53 WeakPolarHBondContact CB-OD2 3.18Å; C33-D53 PolarHBondContact SG-OD2 3.03Å; C33-T55 HydrophobicContact CB-CG2 4.16Å
34S92.4Very high92.2Very high22 Ų2230.4 Ų30.415%0.15417%0.166CC..SBendtrans6422.5-173.8-55.90000115.7L31 G32 N139 C140 R150L31-S34 WeakPolarHBondContact O-CA 3.48Å; L31-S34 PolarHBondContact O-N 3.13Å; G32-S34 PolarHBondContact O-N 3.49Å; S34-N139 WeakPolarHBondContact CA-O 3.34Å; S34-N139 WeakPolarHBondContact O-CB 3.31Å; S34-C140 PolarHBondContact OG-SG 2.95Å; S34-C140 VanDerWaalsContact OG-SG 3.37Å; S34-R150 WeakPolarHBondContact OG-CD 3.43Å
35H92.9Very high92.3Very high41 Ų4129 Ų2919%0.1915%0.152CC..  trans-90.6134.1163.8-77.1105.2000110.4L31 C33 F52 D53L31-H35 PolarHBondContact N-O 3.46Å; C33-H35 VanDerWaalsContact C-N 3.29Å; C33-H35 PolarHBondContact O-N 3.07Å; H35-F52 HydrophobicContact CB-CD2 4.11Å; H35-F52 AromaticContact CD2-CD2 3.66Å; H35-F52 AromaticContact CD2-CG 3.82Å; H35-F52 AromaticContact CG-CD2 3.82Å; H35-F52 AromaticContact NE2-CG 3.89Å; H35-D53 IonicContact CE1-OD2 3.7Å; H35-D53 PolarHBondContact CE1-OD2 2.6Å; H35-D53 IonicContact CG-OD2 3.98Å; H35-D53 IonicContact ND1-OD2 3.31Å; H35-D53 PolarHBondContact ND1-OD2 3.28Å
36T94.3Very high92.4Very high12 Ų1236.9 Ų36.97%0.07418%0.181CC..EExtended strand (participates in β ladder)trans-108.3128.3177.2-56.60000110.5P15 F21 P28 I29 S30 L70 N139P15-T36 WeakPolarHBondContact CD-O 3.18Å; F21-T36 HydrophobicContact CE1-CG2 4.5Å; F21-T36 HydrophobicContact CE2-CG2 4.15Å; F21-T36 HydrophobicContact CZ-CG2 3.79Å; P28-T36 HydrophobicContact CB-CG2 3.81Å; I29-T36 WeakPolarHBondContact O-CA 3.22Å; S30-T36 PolarHBondContact OG-OG1 2.89Å; T36-L70 HydrophobicContact CG2-CD1 3.73Å; T36-N139 PolarHBondContact OG1-OD1 2.97Å
37V94.3Very high92.1Very high0 Ų044 Ų440%021%0.207CC..EExtended strand (participates in β ladder)trans-136.4146.5-177.5178.30000108.6I16 I29 C41 L42 F52I16-V37 HydrophobicContact CD1-CG1 3.5Å; I16-V37 VanDerWaalsContact CD1-CG1 3.5Å; I16-V37 HydrophobicContact CD1-CG2 4.17Å; I16-V37 HydrophobicContact CG1-CG1 4.2Å; I29-V37 PolarHBondContact N-O 3.17Å; I29-V37 PolarHBondContact O-N 2.78Å; I29-V37 VanDerWaalsContact O-O 3.08Å; V37-C41 HydrophobicContact CG1-CB 3.76Å; V37-L42 HydrophobicContact CB-CD2 3.81Å; V37-L42 HydrophobicContact CB-CG 4.03Å; V37-L42 HydrophobicContact CG1-CD2 3.79Å; V37-L42 HydrophobicContact CG1-CG 3.89Å; V37-L42 HydrophobicContact CG2-CD2 4.4Å; V37-F52 HydrophobicContact CG2-CE2 3.9Å
38C94.1Very high91.9Very high0 Ų047.7 Ų47.70%022%0.222CC..EExtended strand (participates in β ladder)trans-74.4146.4178.876.20000112.7C14 F21 H26 Q27 T40 C41 L42C14-C38 HydrophobicContact CB-CB 3.94Å; C14-C38 PolarHBondContact SG-N 3.11Å; C14-C38 VanDerWaalsContact SG-N 3.41Å; C14-C38 PolarHBondContact SG-SG 3.13Å; F21-C38 HydrophobicContact CD1-CB 4.07Å; F21-C38 HydrophobicContact CE1-CB 4Å; H26-C38 HydrophobicContact CB-CB 4.14Å; Q27-C38 CarbonylContact O-C 3.47Å; Q27-C38 WeakPolarHBondContact O-CA 3.29Å; C38-T40 VanDerWaalsContact C-N 3.32Å; C38-T40 PolarHBondContact O-N 2.73Å; C38-C41 WeakPolarHBondContact O-CA 3.06Å; C38-C41 WeakPolarHBondContact O-CB 3.43Å; C38-C41 PolarHBondContact O-N 2.73Å; C38-C41 VanDerWaalsContact SG-SG 3.61Å; C38-L42 PolarHBondContact O-N 3.19Å; C38-L42 VanDerWaalsContact O-N 3.09Å
39K93.1Very high91.7Very high43 Ų4348.9 Ų48.919%0.18723%0.232CC..Hα-helixtrans-52.4-45.5-174.9-171.7162.3-178.5172.20113Q27 I29 C41 L42 H43 I61 D62Q27-K39 HydrophobicContact CB-CB 4.39Å; Q27-K39 PolarHBondContact O-N 2.83Å; I29-K39 HydrophobicContact CD1-CB 4.28Å; I29-K39 HydrophobicContact CD1-CD 4.39Å; I29-K39 HydrophobicContact CG1-CB 3.81Å; I29-K39 HydrophobicContact CG1-CG 4.36Å; K39-C41 PolarHBondContact O-N 2.98Å; K39-L42 PolarHBondContact O-N 2.83Å; K39-L42 VanDerWaalsContact O-N 3.11Å; K39-H43 WeakPolarHBondContact CE-NE2 3.37Å; K39-H43 VanDerWaalsContact CG-NE2 3.33Å; K39-H43 WeakPolarHBondContact CG-NE2 3.35Å; K39-H43 PolarHBondContact O-CD2 2.91Å; K39-H43 PolarHBondContact O-N 3.21Å; K39-H43 VanDerWaalsContact O-N 3.14Å; K39-I61 HydrophobicContact CG-CG2 4.34Å; K39-D62 WeakPolarHBondContact CE-OD1 3.29Å; K39-D62 IonicContact NZ-OD1 3.05Å; K39-D62 PolarHBondContact NZ-OD1 2.69Å
40T93.8Very high91.5Very high50 Ų5048.9 Ų48.931%0.30723%0.232SC..Hα-helixtrans-59.3-26.5175.5-69.90000114.2G25 C38 K44G25-T40 WeakPolarHBondContact O-CB 3.45Å; G25-T40 PolarHBondContact O-OG1 2.9Å; C38-T40 VanDerWaalsContact C-N 3.32Å; C38-T40 PolarHBondContact O-N 2.73Å; T40-K44 VanDerWaalsContact O-CD 3.22Å; T40-K44 WeakPolarHBondContact O-CD 3.46Å; T40-K44 WeakPolarHBondContact O-CE 3.48Å; T40-K44 VanDerWaalsContact O-CG 3.3Å; T40-K44 WeakPolarHBondContact O-CG 3.38Å
41C93.8Very high91.2Very high13 Ų1350.3 Ų50.39%0.08824%0.241CC..Hα-helixtrans-85-35.7174.1-77.50000112.3I16 V37 C38 K39 K44 L45I16-C41 HydrophobicContact CB-CB 4.24Å; I16-C41 HydrophobicContact CD1-CB 4.23Å; I16-C41 HydrophobicContact CG2-CB 4.36Å; V37-C41 HydrophobicContact CG1-CB 3.76Å; C38-C41 WeakPolarHBondContact O-CA 3.06Å; C38-C41 WeakPolarHBondContact O-CB 3.43Å; C38-C41 PolarHBondContact O-N 2.73Å; C38-C41 VanDerWaalsContact SG-SG 3.61Å; K39-C41 PolarHBondContact O-N 2.98Å; C41-K44 PolarHBondContact O-N 3.09Å; C41-K44 VanDerWaalsContact O-N 3.13Å; C41-L45 PolarHBondContact O-N 2.92Å
42L92.7Very high90.9Very high1 Ų151.4 Ų51.41%0.00525%0.245CC..Hα-helixtrans-61.1-47.1175.7-71.4-178.7000112.1I29 L31 V37 C38 K39 K44 L45 I57 I61I29-L42 HydrophobicContact CB-CD1 3.59Å; I29-L42 HydrophobicContact CG1-CD1 4.06Å; I29-L42 HydrophobicContact CG2-CD1 3.64Å; L31-L42 HydrophobicContact CD1-CD2 4.34Å; L31-L42 HydrophobicContact CD2-CD1 4.1Å; L31-L42 HydrophobicContact CD2-CD2 4.33Å; V37-L42 HydrophobicContact CB-CD2 3.81Å; V37-L42 HydrophobicContact CB-CG 4.03Å; V37-L42 HydrophobicContact CG1-CD2 3.79Å; V37-L42 HydrophobicContact CG1-CG 3.89Å; V37-L42 HydrophobicContact CG2-CD2 4.4Å; C38-L42 PolarHBondContact O-N 3.19Å; C38-L42 VanDerWaalsContact O-N 3.09Å; K39-L42 PolarHBondContact O-N 2.83Å; K39-L42 VanDerWaalsContact O-N 3.11Å; L42-K44 PolarHBondContact O-N 3.3Å; L42-L45 HydrophobicContact CD2-CD1 3.73Å; L42-L45 WeakPolarHBondContact O-CB 3.17Å; L42-L45 PolarHBondContact O-N 2.87Å; L42-I57 HydrophobicContact CD2-CD1 4.4Å; L42-I61 HydrophobicContact CB-CD1 4.04Å; L42-I61 HydrophobicContact CB-CG1 4.31Å; L42-I61 HydrophobicContact CB-CG2 3.79Å; L42-I61 HydrophobicContact CD1-CG2 4.11Å
43H92.3Very high90.9Very high93 Ų9354.1 Ų54.143%0.43126%0.259SS..THydrogen-bonded Turntrans-64.3-11.6176.2-63.6-74000114.2K39 D62K39-H43 WeakPolarHBondContact CE-NE2 3.37Å; K39-H43 VanDerWaalsContact CG-NE2 3.33Å; K39-H43 WeakPolarHBondContact CG-NE2 3.35Å; K39-H43 PolarHBondContact O-CD2 2.91Å; K39-H43 PolarHBondContact O-N 3.21Å; K39-H43 VanDerWaalsContact O-N 3.14Å; H43-D62 IonicContact CE1-OD1 3.31Å; H43-D62 IonicContact CE1-OD2 3.91Å; H43-D62 PolarHBondContact CE1-OD2 3.16Å; H43-D62 VanDerWaalsContact CE1-OD2 3.31Å; H43-D62 IonicContact NE2-OD1 2.73Å
44K92.3Very high90.8Very high143 Ų14360.5 Ų60.562%0.62229%0.287SS*.THydrogen-bonded Turntrans-95.9-1.3175.8-67.8173.5-171.5173.20113T40 C41 L42 H46T40-K44 VanDerWaalsContact O-CD 3.22Å; T40-K44 WeakPolarHBondContact O-CD 3.46Å; T40-K44 WeakPolarHBondContact O-CE 3.48Å; T40-K44 VanDerWaalsContact O-CG 3.3Å; T40-K44 WeakPolarHBondContact O-CG 3.38Å; C41-K44 PolarHBondContact O-N 3.09Å; C41-K44 VanDerWaalsContact O-N 3.13Å; L42-K44 PolarHBondContact O-N 3.3Å; K44-H46 PolarHBondContact O-N 2.82Å
45L88.1Confident90.7Very high49 Ų4961.5 Ų61.526%0.25729%0.293SS..  trans-74122175.9-64.4176.3000110.6I16 C41 L42 R47 P51 I57I16-L45 HydrophobicContact CD1-CD2 4.5Å; C41-L45 PolarHBondContact O-N 2.92Å; L42-L45 HydrophobicContact CD2-CD1 3.73Å; L42-L45 WeakPolarHBondContact O-CB 3.17Å; L42-L45 PolarHBondContact O-N 2.87Å; L45-R47 WeakPolarHBondContact CB-O 3.25Å; L45-R47 PolarHBondContact O-N 3.49Å; L45-R47 VanDerWaalsContact O-N 3.09Å; L45-P51 HydrophobicContact CD2-CB 4.23Å; L45-P51 HydrophobicContact CD2-CG 4.16Å; L45-I57 HydrophobicContact CD1-CD1 4.46Å
46H81.4Confident90.5Very high195 Ų19564.4 Ų64.490%0.90332%0.315SS*.SBendtrans-69.3-0.6175.5-60.4-59.3000114.4K44K44-H46 PolarHBondContact O-N 2.82Å
47R85.6Confident90.3Very high195 Ų19564.3 Ų64.374%0.73631%0.314SS*.SBendtrans-142.3139.4176.3-67.3-177.1174.5-177.7-4.1108.5L45 A49L45-R47 WeakPolarHBondContact CB-O 3.25Å; L45-R47 PolarHBondContact O-N 3.49Å; L45-R47 VanDerWaalsContact O-N 3.09Å; R47-A49 PolarHBondContact O-N 3.48Å
48K87.4Confident89.7Confident118 Ų11869.4 Ų69.451%0.51335%0.349SS..SBendtrans-74.264.6170.1-66.6-156.6-179.2-159.30110.7I57 D60K48-I57 PolarHBondContact O-N 3.04Å; K48-D60 VanDerWaalsContact NZ-CG 3.32Å; K48-D60 IonicContact NZ-OD1 2.68Å; K48-D60 PolarHBondContact NZ-OD1 2.91Å; K48-D60 IonicContact NZ-OD2 3.45Å
49A90.6Very high89.3Confident25 Ų2571.3 Ų71.321%0.20736%0.361CS..BIsolated β-bridgetrans-149.3147.3178.600000110.5R47 T55R47-A49 PolarHBondContact O-N 3.48Å; A49-T55 CarbonylContact C-O 3.58Å; A49-T55 VanDerWaalsContact CA-O 3.29Å; A49-T55 WeakPolarHBondContact CA-O 3.45Å
50C90.3Very high89.1Confident1 Ų172.7 Ų72.71%0.00737%0.37CS..  trans-60.6130176.4172.20000111.1L31 C33 F52 D53 Q54 T55L31-C50 HydrophobicContact CD1-CB 3.98Å; C33-C50 VanDerWaalsContact SG-SG 3.64Å; C50-F52 PolarHBondContact O-N 3.14Å; C50-D53 WeakPolarHBondContact CB-OD1 3.43Å; C50-D53 VanDerWaalsContact SG-CG 3.55Å; C50-D53 PolarHBondContact SG-OD1 3.04Å; C50-Q54 WeakPolarHBondContact O-CA 3.48Å; C50-Q54 PolarHBondContact O-N 3.02Å; C50-T55 PolarHBondContact N-O 3.19Å
51P88.3Confident88.8Confident32 Ų3271 Ų7121%0.20836%0.36CS..THydrogen-bonded Turntrans-76.4-0.7-175.828.5-32.3000114.9I16 L45I16-P51 HydrophobicContact CD1-CG 3.65Å; L45-P51 HydrophobicContact CD2-CB 4.23Å; L45-P51 HydrophobicContact CD2-CG 4.16Å
52F88.6Confident88.5Confident25 Ų2575.4 Ų75.411%0.1138%0.382CS..THydrogen-bonded Turntrans-102.8-52-178.9-57.5-74.3000112.4V3 A5 P15 I16 H35 V37 C50V3-F52 HydrophobicContact CB-CD1 4.03Å; V3-F52 HydrophobicContact CB-CE1 3.69Å; V3-F52 HydrophobicContact CG1-CD1 4.4Å; V3-F52 HydrophobicContact CG1-CE1 3.63Å; V3-F52 HydrophobicContact CG1-CZ 4.34Å; V3-F52 WeakPolarHBondContact O-CD1 3.3Å; A5-F52 HydrophobicContact CB-CD1 4.26Å; P15-F52 HydrophobicContact CB-CE1 4.17Å; P15-F52 HydrophobicContact CB-CZ 3.67Å; P15-F52 HydrophobicContact CG-CE1 4.37Å; P15-F52 HydrophobicContact CG-CE2 3.89Å; P15-F52 HydrophobicContact CG-CZ 3.47Å; P15-F52 VanDerWaalsContact CG-CZ 3.47Å; I16-F52 HydrophobicContact CG1-CZ 4.16Å; H35-F52 HydrophobicContact CB-CD2 4.11Å; H35-F52 AromaticContact CD2-CD2 3.66Å; H35-F52 AromaticContact CD2-CG 3.82Å; H35-F52 AromaticContact CG-CD2 3.82Å; H35-F52 AromaticContact NE2-CG 3.89Å; V37-F52 HydrophobicContact CG2-CE2 3.9Å; C50-F52 PolarHBondContact O-N 3.14Å
53D90.1Very high88.3Confident63 Ų6381.2 Ų81.234%0.33741%0.412SS..THydrogen-bonded Turntrans-112.4-7.4-175.253.236.3000113.8C33 H35 C50 T55C33-D53 VanDerWaalsContact CB-OD2 3.29Å; C33-D53 WeakPolarHBondContact CB-OD2 3.18Å; C33-D53 PolarHBondContact SG-OD2 3.03Å; H35-D53 IonicContact CE1-OD2 3.7Å; H35-D53 PolarHBondContact CE1-OD2 2.6Å; H35-D53 IonicContact CG-OD2 3.98Å; H35-D53 IonicContact ND1-OD2 3.31Å; H35-D53 PolarHBondContact ND1-OD2 3.28Å; C50-D53 WeakPolarHBondContact CB-OD1 3.43Å; C50-D53 VanDerWaalsContact SG-CG 3.55Å; C50-D53 PolarHBondContact SG-OD1 3.04Å; D53-T55 PolarHBondContact O-N 3.36Å; D53-T55 WeakPolarHBondContact OD1-CB 3.33Å; D53-T55 PolarHBondContact OD1-N 2.92Å; D53-T55 PolarHBondContact OD1-OG1 3.21Å
54Q89.9Confident88.2Confident149 Ų14977 Ų7770%0.69639%0.393SS*.  trans64.815.2-176.6-57.617093.400115.1C50C50-Q54 WeakPolarHBondContact O-CA 3.48Å; C50-Q54 PolarHBondContact O-N 3.02Å
55T90.4Very high88.2Confident44 Ų4471 Ų7127%0.2737%0.369SS..  trans-56130.1169.8-57.40000109.9C33 A49 C50 D53C33-T55 HydrophobicContact CB-CG2 4.16Å; A49-T55 CarbonylContact C-O 3.58Å; A49-T55 VanDerWaalsContact CA-O 3.29Å; A49-T55 WeakPolarHBondContact CA-O 3.45Å; C50-T55 PolarHBondContact N-O 3.19Å; D53-T55 PolarHBondContact O-N 3.36Å; D53-T55 WeakPolarHBondContact OD1-CB 3.33Å; D53-T55 PolarHBondContact OD1-N 2.92Å; D53-T55 PolarHBondContact OD1-OG1 3.21Å
56P90.3Very high88.4Confident101 Ų10170.1 Ų70.166%0.65637%0.366SS*.BIsolated β-bridgetrans-63.9142.9177.327.5-35000110.8
57I89.6Confident88.9Confident11 Ų1161.8 Ų61.86%0.05633%0.327CS..  trans-97.5103.7174.3-57170.4000106.4L31 L42 L45 K48 T59 L64L31-I57 HydrophobicContact CD1-CD1 3.85Å; L31-I57 HydrophobicContact CD1-CG1 4.17Å; L31-I57 HydrophobicContact CD2-CD1 4Å; L31-I57 HydrophobicContact CD2-CG1 4.22Å; L31-I57 HydrophobicContact CD2-CG2 4.33Å; L42-I57 HydrophobicContact CD2-CD1 4.4Å; L45-I57 HydrophobicContact CD1-CD1 4.46Å; K48-I57 PolarHBondContact O-N 3.04Å; I57-T59 WeakPolarHBondContact CG2-O 3.42Å; I57-L64 HydrophobicContact CG2-CD1 4.37Å
58S81Confident89.2Confident106 Ų10652.6 Ų52.674%0.74129%0.293SS*.  trans-83.9-45.1-174.747.40000112.4
59T86.5Confident89.5Confident41 Ų4147.1 Ų47.125%0.25227%0.27SS..SBendtrans-70.2147.6173.3-56.40000110.8I57 L63 L64 E144I57-T59 WeakPolarHBondContact CG2-O 3.42Å; T59-L63 HydrophobicContact CG2-CB 3.95Å; T59-L64 HydrophobicContact CG2-CD2 3.71Å; T59-L64 HydrophobicContact CG2-CG 3.97Å; T59-E144 WeakPolarHBondContact CB-OE1 3.38Å; T59-E144 PolarHBondContact OG1-OE1 3.44Å
60D88Confident89.6Confident71 Ų7145.9 Ų45.938%0.3826%0.26SS..  trans-76148177.1-146.2-2.1000112.6K48 D62 L63 L64K48-D60 VanDerWaalsContact NZ-CG 3.32Å; K48-D60 IonicContact NZ-OD1 2.68Å; K48-D60 PolarHBondContact NZ-OD1 2.91Å; K48-D60 IonicContact NZ-OD2 3.45Å; D60-D62 PolarHBondContact O-N 3.14Å; D60-D62 VanDerWaalsContact O-N 3.16Å; D60-L63 HydrophobicContact CB-CD1 4.27Å; D60-L63 HydrophobicContact CB-CG 4.4Å; D60-L63 PolarHBondContact O-N 2.73Å; D60-L64 PolarHBondContact O-N 3.29Å
61I87.6Confident89.6Confident16 Ų1645.9 Ų45.98%0.08226%0.26CS..THydrogen-bonded Turntrans-64-27.6-170.2-61.2161.3000111.8K39 L42K39-I61 HydrophobicContact CG-CG2 4.34Å; L42-I61 HydrophobicContact CB-CD1 4.04Å; L42-I61 HydrophobicContact CB-CG1 4.31Å; L42-I61 HydrophobicContact CB-CG2 3.79Å; L42-I61 HydrophobicContact CD1-CG2 4.11Å
62D87.6Confident89.6Confident104 Ų10446.3 Ų46.356%0.55626%0.259SS*.THydrogen-bonded Turntrans-80.3-15.1175.3-74.5-62.2000114.4K39 H43 D60K39-D62 WeakPolarHBondContact CE-OD1 3.29Å; K39-D62 IonicContact NZ-OD1 3.05Å; K39-D62 PolarHBondContact NZ-OD1 2.69Å; H43-D62 IonicContact CE1-OD1 3.31Å; H43-D62 IonicContact CE1-OD2 3.91Å; H43-D62 PolarHBondContact CE1-OD2 3.16Å; H43-D62 VanDerWaalsContact CE1-OD2 3.31Å; H43-D62 IonicContact NE2-OD1 2.73Å; D60-D62 PolarHBondContact O-N 3.14Å; D60-D62 VanDerWaalsContact O-N 3.16Å
63L88.3Confident89.6Confident123 Ų12345.3 Ų45.364%0.64426%0.255SS*.THydrogen-bonded Turntrans-95.3-16.5175.8-60.1176.8000112.9T59 D60T59-L63 HydrophobicContact CG2-CB 3.95Å; D60-L63 HydrophobicContact CB-CD1 4.27Å; D60-L63 HydrophobicContact CB-CG 4.4Å; D60-L63 PolarHBondContact O-N 2.73Å
64L90.2Very high89.5Confident5 Ų545.1 Ų45.13%0.02626%0.255CS..SBendtrans-72.8125.9175.8-71.4175.9000110.8I29 L31 I57 T59 D60 Q141 V143 E144I29-L64 HydrophobicContact CG2-CB 3.67Å; I29-L64 HydrophobicContact CG2-CD1 3.84Å; I29-L64 HydrophobicContact CG2-CG 4.4Å; L31-L64 HydrophobicContact CD2-CD1 3.91Å; I57-L64 HydrophobicContact CG2-CD1 4.37Å; T59-L64 HydrophobicContact CG2-CD2 3.71Å; T59-L64 HydrophobicContact CG2-CG 3.97Å; D60-L64 PolarHBondContact O-N 3.29Å; L64-Q141 HydrophobicContact CD2-CG 4Å; L64-V143 HydrophobicContact CD2-CG2 4.04Å; L64-E144 HydrophobicContact CD2-CG 4.15Å
65P91.6Very high89Confident16 Ų1641.1 Ų41.110%0.10426%0.255CS..PPolyproline II helixtrans-70.4148.8-17929.2-35.7000111.9V84 V143P65-V84 HydrophobicContact CB-CG2 4.44Å; P65-V143 HydrophobicContact CG-CG1 3.75Å; P65-V143 HydrophobicContact CG-CG2 4.39Å
66V92.3Very high88.5Confident32 Ų3240.1 Ų40.119%0.19425%0.251CS..BIsolated β-bridgetrans-70.5136.2173.6-177.20000109.7Q27 P28 I29 C68 L71Q27-V66 HydrophobicContact CB-CG1 3.94Å; Q27-V66 HydrophobicContact CB-CG2 4.09Å; Q27-V66 HydrophobicContact CG-CG1 4.18Å; Q27-V66 HydrophobicContact CG-CG2 4.28Å; P28-V66 HydrophobicContact CG-CG1 4.26Å; P28-V66 WeakPolarHBondContact O-CA 3.21Å; I29-V66 HydrophobicContact CD1-CB 4.49Å; I29-V66 HydrophobicContact CD1-CG2 3.94Å; V66-C68 VanDerWaalsContact C-N 3.32Å; V66-C68 PolarHBondContact O-N 2.93Å; V66-C68 PolarHBondContact O-SG 2.83Å; V66-L71 HydrophobicContact CG1-CD1 3.69Å; V66-L71 HydrophobicContact CG1-CG 4.39Å
67N93.7Very high87.7Confident19 Ų1943.1 Ų43.110%0.10226%0.256CS..  trans-75.284.6178.3-168.7-39.7000110.6P28 S30 A69 L70 L71 V138P28-N67 HydrophobicContact CB-CB 4.19Å; P28-N67 HydrophobicContact CG-CB 4.11Å; P28-N67 WeakPolarHBondContact CG-O 3.3Å; P28-N67 PolarHBondContact O-N 3.23Å; S30-N67 PolarHBondContact OG-ND2 3.48Å; N67-A69 PolarHBondContact O-N 3.07Å; N67-A69 WeakPolarHBondContact OD1-CB 3.42Å; N67-A69 PolarHBondContact OD1-N 2.83Å; N67-L70 HydrophobicContact CB-CD1 4.13Å; N67-L70 HydrophobicContact CB-CG 4.42Å; N67-L70 PolarHBondContact O-N 2.91Å; N67-L70 VanDerWaalsContact O-N 3.16Å; N67-L70 WeakPolarHBondContact OD1-CG 3.49Å; N67-L70 PolarHBondContact OD1-N 2.89Å; N67-L70 VanDerWaalsContact OD1-N 3.12Å; N67-L71 PolarHBondContact O-N 2.81Å; N67-V138 PolarHBondContact ND2-O 3.39Å
68C91.8Very high86.9Confident3 Ų345.5 Ų45.52%0.0227%0.271CS..Hα-helixtrans-60.4-31-179.4-66.10000112.8V66 L70 L71 Q72 V78 V81 E103V66-C68 VanDerWaalsContact C-N 3.32Å; V66-C68 PolarHBondContact O-N 2.93Å; V66-C68 PolarHBondContact O-SG 2.83Å; C68-L70 VanDerWaalsContact C-N 3.32Å; C68-L70 PolarHBondContact O-N 3.34Å; C68-L71 PolarHBondContact O-N 2.9Å; C68-Q72 VanDerWaalsContact O-CG 3.3Å; C68-Q72 WeakPolarHBondContact O-CG 3.48Å; C68-Q72 PolarHBondContact O-N 3.3Å; C68-V78 HydrophobicContact CB-CG1 3.9Å; C68-V81 VanDerWaalsContact SG-CG2 3.59Å; C68-E103 WeakPolarHBondContact CB-OE1 3.35Å
69A92.5Very high86.3Confident2 Ų242.5 Ų42.52%0.01725%0.249CC..Hα-helixtrans-59.2-41.6175.200000111.9N67 L73 E103 A106 V138N67-A69 PolarHBondContact O-N 3.07Å; N67-A69 WeakPolarHBondContact OD1-CB 3.42Å; N67-A69 PolarHBondContact OD1-N 2.83Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-L73 PolarHBondContact O-N 3.45Å; A69-E103 HydrophobicContact CB-CB 4.42Å; A69-E103 HydrophobicContact CB-CG 3.84Å; A69-A106 HydrophobicContact CB-CB 3.84Å; A69-V138 HydrophobicContact CB-CG1 4.07Å
70L92.6Very high85.1Confident0 Ų048.6 Ų48.60%028%0.28CS..Hα-helixtrans-71.5-37.4175.2-65.7174.6000112.6F11 L12 F21 P28 T36 N67 C68 Q72 L73 V74 V138F11-L70 HydrophobicContact CD2-CD2 3.76Å; F11-L70 HydrophobicContact CE2-CD2 4.25Å; L12-L70 HydrophobicContact CD2-CD2 4.12Å; F21-L70 HydrophobicContact CE2-CD1 4.25Å; P28-L70 HydrophobicContact CB-CB 4.43Å; P28-L70 HydrophobicContact CB-CD1 4.15Å; P28-L70 HydrophobicContact CG-CB 4.11Å; T36-L70 HydrophobicContact CG2-CD1 3.73Å; N67-L70 HydrophobicContact CB-CD1 4.13Å; N67-L70 HydrophobicContact CB-CG 4.42Å; N67-L70 PolarHBondContact O-N 2.91Å; N67-L70 VanDerWaalsContact O-N 3.16Å; N67-L70 WeakPolarHBondContact OD1-CG 3.49Å; N67-L70 PolarHBondContact OD1-N 2.89Å; N67-L70 VanDerWaalsContact OD1-N 3.12Å; C68-L70 VanDerWaalsContact C-N 3.32Å; C68-L70 PolarHBondContact O-N 3.34Å; L70-Q72 PolarHBondContact O-N 3.12Å; L70-L73 WeakPolarHBondContact O-CB 3.41Å; L70-L73 PolarHBondContact O-N 3.38Å; L70-L73 VanDerWaalsContact O-N 3.09Å; L70-V74 PolarHBondContact O-N 2.79Å; L70-V138 HydrophobicContact CD2-CG1 3.71Å; L70-V138 HydrophobicContact CG-CG1 3.96Å
71L90.7Very high83.9Confident0 Ų047.8 Ų47.80%028%0.278CS..Hα-helixtrans-62.5-41.4174.9-70.2-177.7000112.3D22 P28 V66 N67 C68 L73 V74 G75 A76 P79D22-L71 WeakPolarHBondContact O-CD2 3.12Å; P28-L71 HydrophobicContact CG-CD2 4.01Å; P28-L71 HydrophobicContact CG-CG 3.95Å; V66-L71 HydrophobicContact CG1-CD1 3.69Å; V66-L71 HydrophobicContact CG1-CG 4.39Å; N67-L71 PolarHBondContact O-N 2.81Å; C68-L71 PolarHBondContact O-N 2.9Å; L71-L73 PolarHBondContact O-N 3.16Å; L71-V74 PolarHBondContact O-N 3.46Å; L71-G75 PolarHBondContact O-N 3.02Å; L71-A76 HydrophobicContact CB-CB 4.36Å; L71-A76 HydrophobicContact CD2-CB 4.11Å; L71-A76 PolarHBondContact O-N 2.85Å; L71-A76 VanDerWaalsContact O-N 3.14Å; L71-P79 HydrophobicContact CD1-CG 4.48Å
72Q89.2Confident82.8Confident42 Ų4252 Ų5220%0.19631%0.306CS..Hα-helixtrans-61.2-22174-71.7175.629.600113.4C68 L70 V78 E103 K110C68-Q72 VanDerWaalsContact O-CG 3.3Å; C68-Q72 WeakPolarHBondContact O-CG 3.48Å; C68-Q72 PolarHBondContact O-N 3.3Å; L70-Q72 PolarHBondContact O-N 3.12Å; Q72-V78 HydrophobicContact CG-CG2 3.53Å; Q72-E103 PolarHBondContact NE2-OE2 2.96Å; Q72-K110 WeakPolarHBondContact O-CE 3.45Å; Q72-K110 PolarHBondContact O-NZ 3.29Å; Q72-K110 VanDerWaalsContact O-NZ 3.07Å
73L88.5Confident81.7Confident4 Ų452.3 Ų52.32%0.02131%0.313CS..Hα-helixtrans-87.2-29.4176.2-68.3-178.4000113.8F11 L12 A69 L70 L71 G75 A106 L109 K110 S113F11-L73 HydrophobicContact CE2-CD1 3.78Å; F11-L73 HydrophobicContact CZ-CD1 4.46Å; L12-L73 HydrophobicContact CD2-CB 3.61Å; L12-L73 HydrophobicContact CD2-CD1 4.11Å; A69-L73 WeakPolarHBondContact O-CG 3.44Å; A69-L73 PolarHBondContact O-N 3.45Å; L70-L73 WeakPolarHBondContact O-CB 3.41Å; L70-L73 PolarHBondContact O-N 3.38Å; L70-L73 VanDerWaalsContact O-N 3.09Å; L71-L73 PolarHBondContact O-N 3.16Å; L73-G75 VanDerWaalsContact C-N 3.28Å; L73-A106 HydrophobicContact CD1-CB 4.32Å; L73-A106 WeakPolarHBondContact CD2-O 3.46Å; L73-L109 HydrophobicContact CD1-CB 3.85Å; L73-L109 HydrophobicContact CD1-CD1 3.96Å; L73-L109 HydrophobicContact CD2-CB 4.26Å; L73-K110 HydrophobicContact CD2-CB 4.3Å; L73-K110 HydrophobicContact CD2-CD 4.31Å; L73-K110 HydrophobicContact CD2-CG 3.3Å; L73-S113 WeakPolarHBondContact O-CB 3.44Å; L73-S113 PolarHBondContact O-OG 2.87Å
74V86.6Confident81.2Confident58 Ų5847.7 Ų47.735%0.35229%0.29SS..Hα-helixtrans-78.6-16.6169.5-172.90000111.4L12 F21 L70 L71L12-V74 HydrophobicContact CB-CG2 4.2Å; L12-V74 HydrophobicContact CD2-CG2 4.29Å; F21-V74 HydrophobicContact CB-CG2 4.47Å; F21-V74 WeakPolarHBondContact O-CG1 3.07Å; L70-V74 PolarHBondContact O-N 2.79Å; L71-V74 PolarHBondContact O-N 3.46Å
75G81Confident80.5Confident66 Ų6653.2 Ų53.268%0.6833%0.33SS*.THydrogen-bonded Turntrans8219.2-176.300000113L71 L73L71-G75 PolarHBondContact O-N 3.02Å; L73-G75 VanDerWaalsContact C-N 3.28Å
76A79.4Confident80Confident23 Ų2354.5 Ų54.519%0.1934%0.335CS..PPolyproline II helixtrans-72.5150172.600000110.7L71 V78L71-A76 HydrophobicContact CB-CB 4.36Å; L71-A76 HydrophobicContact CD2-CB 4.11Å; L71-A76 PolarHBondContact O-N 2.85Å; L71-A76 VanDerWaalsContact O-N 3.14Å; A76-V78 PolarHBondContact O-N 2.95Å
77Q73.8Confident79.4Confident164 Ų16459.1 Ų59.177%0.76637%0.369SS*.PPolyproline II helixtrans-59120.3167.3-71.3-73.194.700108.8S23 P79S23-Q77 WeakPolarHBondContact CB-O 3.47Å; Q77-P79 WeakPolarHBondContact O-CD 3.36Å
78V71.7Confident79Confident60 Ų6060.7 Ų60.736%0.36438%0.381SS..PPolyproline II helixtrans-66124.2171.2-177.30000107.4C68 Q72 A76C68-V78 HydrophobicContact CB-CG1 3.9Å; Q72-V78 HydrophobicContact CG-CG2 3.53Å; A76-V78 PolarHBondContact O-N 2.95Å
79P68.5Low78.8Confident43 Ų4364.1 Ų64.128%0.27941%0.41SS..PPolyproline II helixtrans-63151.5173.9-2032.7000110.9L71 Q77 V81L71-P79 HydrophobicContact CD1-CG 4.48Å; Q77-P79 WeakPolarHBondContact O-CD 3.36Å; P79-V81 WeakPolarHBondContact O-CG2 3.19Å; P79-V81 PolarHBondContact O-N 3.18Å
80D61.8Low78.7Confident169 Ų16966.3 Ų66.390%0.90443%0.428SS*.  trans-59112.1160.3-87.6-45.3000107.9P82D80-P82 WeakPolarHBondContact O-CD 3.44Å
81V63.2Low78.6Confident55 Ų5567.8 Ų67.833%0.33344%0.436SS..PPolyproline II helixtrans-78.4119.5-174.2-174.30000107.9C68 P79C68-V81 VanDerWaalsContact SG-CG2 3.59Å; P79-V81 WeakPolarHBondContact O-CG2 3.19Å; P79-V81 PolarHBondContact O-N 3.18Å
82P63.3Low78.6Confident103 Ų10369.3 Ų69.367%0.66945%0.445SS*.PPolyproline II helixtrans-62.4138.9173.227.1-33.6000109.3D80 V84D80-P82 WeakPolarHBondContact O-CD 3.44Å; P82-V84 PolarHBondContact O-N 3.49Å
83P64.4Low78.8Confident111 Ų11174 Ų7472%0.72147%0.467SS*.PPolyproline II helixtrans-60.4131.6-174.623.7-33.7000111S85P83-S85 PolarHBondContact O-N 3.09Å
84V79.2Confident79.1Confident26 Ų2676.1 Ų76.116%0.15848%0.477CS..PPolyproline II helixtrans-67.8128.1179.9-177.70000109.2P65 P82 L86 Y95 V143P65-V84 HydrophobicContact CB-CG2 4.44Å; P82-V84 PolarHBondContact O-N 3.49Å; V84-L86 HydrophobicContact CB-CG 4.41Å; V84-L86 HydrophobicContact CG1-CD2 3.74Å; V84-L86 HydrophobicContact CG1-CG 3.89Å; V84-L86 PolarHBondContact O-N 3.4Å; V84-Y95 HydrophobicContact CB-CE1 4.28Å; V84-Y95 HydrophobicContact CG2-CD1 4.41Å; V84-Y95 HydrophobicContact CG2-CE1 3.62Å; V84-V143 HydrophobicContact CG1-CG1 3.79Å; V84-V143 HydrophobicContact CG2-CG1 4.41Å
85S75.6Confident79.5Confident122 Ų12273.9 Ų73.985%0.85346%0.462SS*.  trans-76.987.6176.5-60.80000110.6P83P83-S85 PolarHBondContact O-N 3.09Å
86L81Confident80.1Confident43 Ų4373.1 Ų73.123%0.22544%0.443CS..  trans-97.1168.6172.2-59.4-178.9000111.5V84 S88 D91 V92 Y95 W371V84-L86 HydrophobicContact CB-CG 4.41Å; V84-L86 HydrophobicContact CG1-CD2 3.74Å; V84-L86 HydrophobicContact CG1-CG 3.89Å; V84-L86 PolarHBondContact O-N 3.4Å; L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.92Å; L86-D91 HydrophobicContact CB-CB 4.09Å; L86-D91 HydrophobicContact CD1-CB 4.11Å; L86-D91 WeakPolarHBondContact CD1-O 3.3Å; L86-V92 HydrophobicContact CB-CG2 3.95Å; L86-V92 HydrophobicContact CD1-CG2 4.25Å; L86-V92 HydrophobicContact CG-CG2 4.28Å; L86-Y95 HydrophobicContact CD1-CG 4.08Å; L86-W371 HydrophobicContact CD1-CH2 3.98Å; L86-W371 HydrophobicContact CD1-CZ2 3.84Å; L86-W371 HydrophobicContact CD2-CZ2 4.17Å
87S78.6Confident80.8Confident128 Ų12875.7 Ų75.790%0.89545%0.453SS*.SBendtrans-65.4-27.4-172-54.40000114.9
88S86.4Confident81.9Confident52 Ų5267.9 Ų67.936%0.36442%0.416SS..SBendtrans-144.3162.117579.80000112.1L86 A90 D91 V92L86-S88 VanDerWaalsContact C-N 3.32Å; L86-S88 PolarHBondContact O-N 2.92Å; S88-A90 VanDerWaalsContact C-N 3.32Å; S88-A90 PolarHBondContact O-N 3.21Å; S88-D91 WeakPolarHBondContact CB-OD2 3.38Å; S88-D91 PolarHBondContact N-OD2 3.05Å; S88-D91 PolarHBondContact O-N 3.44Å; S88-D91 PolarHBondContact OG-N 2.71Å; S88-D91 PolarHBondContact OG-OD2 3.15Å; S88-V92 PolarHBondContact O-N 3.27Å
89A87.1Confident83Confident76 Ų7667.6 Ų67.663%0.62841%0.409SS*.Hα-helixtrans-64.7-34.5176.900000112.9D91 V92 E93A89-D91 VanDerWaalsContact C-N 3.33Å; A89-D91 PolarHBondContact O-N 3.19Å; A89-V92 WeakPolarHBondContact O-CB 3.02Å; A89-V92 PolarHBondContact O-N 2.74Å; A89-E93 PolarHBondContact O-N 3.19Å; A89-E93 VanDerWaalsContact O-N 3.15Å
90A89.4Confident84.3Confident47 Ų4769 Ų6939%0.38841%0.413SS..Hα-helixtrans-65.1-37.2176.600000111.8S88 V92 E93 H94S88-A90 VanDerWaalsContact C-N 3.32Å; S88-A90 PolarHBondContact O-N 3.21Å; A90-V92 PolarHBondContact O-N 2.7Å; A90-E93 PolarHBondContact O-N 3.07Å; A90-H94 PolarHBondContact O-CD2 3.17Å; A90-H94 PolarHBondContact O-N 3.04Å
91D90.9Very high86Confident31 Ų3161.1 Ų61.117%0.16637%0.371CS..Hα-helixtrans-62.9-33175-54.6-44.1000111.7L86 S88 A89 Y95 W371L86-D91 HydrophobicContact CB-CB 4.09Å; L86-D91 HydrophobicContact CD1-CB 4.11Å; L86-D91 WeakPolarHBondContact CD1-O 3.3Å; S88-D91 WeakPolarHBondContact CB-OD2 3.38Å; S88-D91 PolarHBondContact N-OD2 3.05Å; S88-D91 PolarHBondContact O-N 3.44Å; S88-D91 PolarHBondContact OG-N 2.71Å; S88-D91 PolarHBondContact OG-OD2 3.15Å; A89-D91 VanDerWaalsContact C-N 3.33Å; A89-D91 PolarHBondContact O-N 3.19Å; D91-Y95 WeakPolarHBondContact O-CB 3.4Å; D91-Y95 PolarHBondContact O-N 3.14Å; D91-W371 HydrophobicContact CB-CD2 4.44Å; D91-W371 HydrophobicContact CB-CG 4.18Å
92V91.1Very high87.6Confident33 Ų3359.1 Ų59.120%0.236%0.359CS..Hα-helixtrans-69.4-44.1175.4-178.40000111.1L86 S88 A89 A90 Y95 D96L86-V92 HydrophobicContact CB-CG2 3.95Å; L86-V92 HydrophobicContact CD1-CG2 4.25Å; L86-V92 HydrophobicContact CG-CG2 4.28Å; S88-V92 PolarHBondContact O-N 3.27Å; A89-V92 WeakPolarHBondContact O-CB 3.02Å; A89-V92 PolarHBondContact O-N 2.74Å; A90-V92 PolarHBondContact O-N 2.7Å; V92-Y95 PolarHBondContact O-N 3.32Å; V92-D96 PolarHBondContact O-N 3.15Å
93E92.8Very high89.1Confident139 Ų13955 Ų5565%0.6533%0.331SS*.Hα-helixtrans-60.4-47.7175.9-68-178.3179.900111.5A89 A90 Y95 D96 L97A89-E93 PolarHBondContact O-N 3.19Å; A89-E93 VanDerWaalsContact O-N 3.15Å; A90-E93 PolarHBondContact O-N 3.07Å; E93-Y95 PolarHBondContact O-N 3.34Å; E93-D96 PolarHBondContact O-N 3.22Å; E93-L97 WeakPolarHBondContact O-CG 2.98Å; E93-L97 PolarHBondContact O-N 2.87Å; E93-L97 VanDerWaalsContact O-N 3.1Å
94H94.9Very high90.5Very high50 Ų5054 Ų5423%0.23132%0.317CS..Hα-helixtrans-60.2-44.7173.9-68.2-48.2000112.2A90 L97 C98 W371 E375A90-H94 PolarHBondContact O-CD2 3.17Å; A90-H94 PolarHBondContact O-N 3.04Å; H94-L97 PolarHBondContact O-N 3.34Å; H94-C98 PolarHBondContact O-N 3.01Å; H94-C98 PolarHBondContact O-SG 3.35Å; H94-W371 HydrophobicContact CB-CB 3.71Å; H94-E375 IonicContact CE1-OE2 2.66Å; H94-E375 IonicContact CG-OE2 4Å; H94-E375 IonicContact ND1-OE2 3.61Å; H94-E375 PolarHBondContact ND1-OE2 2.79Å
95Y94.9Very high91.3Very high10 Ų1052.8 Ų52.84%0.03931%0.31CS..Hα-helixtrans-59.9-46177.7164.4-94.7000112.1V84 L86 D91 V92 E93 C98 R99 L142 V143 W371V84-Y95 HydrophobicContact CB-CE1 4.28Å; V84-Y95 HydrophobicContact CG2-CD1 4.41Å; V84-Y95 HydrophobicContact CG2-CE1 3.62Å; L86-Y95 HydrophobicContact CD1-CG 4.08Å; D91-Y95 WeakPolarHBondContact O-CB 3.4Å; D91-Y95 PolarHBondContact O-N 3.14Å; V92-Y95 PolarHBondContact O-N 3.32Å; E93-Y95 PolarHBondContact O-N 3.34Å; Y95-C98 WeakPolarHBondContact O-CB 3.37Å; Y95-C98 PolarHBondContact O-N 3.46Å; Y95-R99 WeakPolarHBondContact O-CB 3.25Å; Y95-R99 PolarHBondContact O-N 2.93Å; Y95-L142 HydrophobicContact CD2-CB 4.25Å; Y95-L142 HydrophobicContact CE2-CB 4.12Å; Y95-V143 HydrophobicContact CD2-CG1 4.19Å; Y95-V143 HydrophobicContact CE2-CG1 3.54Å; Y95-W371 HydrophobicContact CD2-CH2 4.08Å; Y95-W371 AromaticContact CD2-CZ3 3.99Å; Y95-W371 HydrophobicContact CD2-CZ3 3.99Å; Y95-W371 HydrophobicContact CG-CZ3 4.37Å
96D93.4Very high92.2Very high51 Ų5147 Ų4727%0.27327%0.269SS..Hα-helixtrans-68.1-37.5-179-92.6-41.6000112.1V92 E93 R99 L100V92-D96 PolarHBondContact O-N 3.15Å; E93-D96 PolarHBondContact O-N 3.22Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-R99 IonicContact OD1-CZ 2.73Å; D96-R99 IonicContact OD1-NE 2.6Å; D96-R99 PolarHBondContact OD1-NE 3Å; D96-R99 IonicContact OD1-NH2 3.14Å; D96-R99 PolarHBondContact OD1-NH2 3.15Å; D96-L100 WeakPolarHBondContact O-CB 3.2Å; D96-L100 VanDerWaalsContact O-CG 3.23Å; D96-L100 WeakPolarHBondContact O-CG 3.35Å; D96-L100 PolarHBondContact O-N 3.15Å
97L95.3Very high92.8Very high77 Ų7748.1 Ų48.140%0.40328%0.275SS..Hα-helixtrans-62.1-42.4171.3-72.1171.2000111.8E93 H94 C101 E375E93-L97 WeakPolarHBondContact O-CG 2.98Å; E93-L97 PolarHBondContact O-N 2.87Å; E93-L97 VanDerWaalsContact O-N 3.1Å; H94-L97 PolarHBondContact O-N 3.34Å; L97-C101 PolarHBondContact O-N 3.16Å; L97-C101 VanDerWaalsContact O-N 3.08Å; L97-C101 PolarHBondContact O-SG 2.9Å; L97-E375 HydrophobicContact CB-CG 4Å; L97-E375 HydrophobicContact CD1-CG 4.3Å; L97-E375 WeakPolarHBondContact CD1-OE2 3.24Å
98C96.8Very high93.4Very high0 Ų045 Ų450%024%0.244CC..Hα-helixtrans-62.1-46.9174.4-66.40000112.1H94 Y95 C101 V102 L142 L374 E375 M378H94-C98 PolarHBondContact O-N 3.01Å; H94-C98 PolarHBondContact O-SG 3.35Å; Y95-C98 WeakPolarHBondContact O-CB 3.37Å; Y95-C98 PolarHBondContact O-N 3.46Å; C98-C101 PolarHBondContact O-N 3.5Å; C98-V102 PolarHBondContact O-N 2.74Å; C98-V102 VanDerWaalsContact O-N 3.1Å; C98-L142 HydrophobicContact CB-CD1 3.82Å; C98-L374 HydrophobicContact CB-CD2 4.26Å; C98-E375 WeakPolarHBondContact SG-CA 2.99Å; C98-E375 PolarHBondContact SG-N 3.47Å; C98-M378 HydrophobicContact CB-CG 3.94Å
99R95.1Very high93.6Very high54 Ų5442.5 Ų42.520%0.20423%0.226CC..Hα-helixtrans-58.9-49.9178.5179.4-176.362.375.7-2111.3Y95 D96 C101 V102 E103Y95-R99 WeakPolarHBondContact O-CB 3.25Å; Y95-R99 PolarHBondContact O-N 2.93Å; D96-R99 PolarHBondContact O-N 3.37Å; D96-R99 IonicContact OD1-CZ 2.73Å; D96-R99 IonicContact OD1-NE 2.6Å; D96-R99 PolarHBondContact OD1-NE 3Å; D96-R99 IonicContact OD1-NH2 3.14Å; D96-R99 PolarHBondContact OD1-NH2 3.15Å; R99-C101 VanDerWaalsContact C-N 3.31Å; R99-C101 PolarHBondContact O-N 3.2Å; R99-V102 PolarHBondContact O-N 3.43Å; R99-V102 VanDerWaalsContact O-N 3.14Å; R99-E103 WeakPolarHBondContact CG-OE1 3.41Å; R99-E103 IonicContact CZ-OE1 3.85Å; R99-E103 IonicContact NH1-OE1 2.91Å; R99-E103 PolarHBondContact NH1-OE1 2.8Å; R99-E103 IonicContact NH1-OE2 3.58Å; R99-E103 PolarHBondContact NH1-OE2 3.26Å; R99-E103 WeakPolarHBondContact O-CG 3.38Å; R99-E103 PolarHBondContact O-N 3.32Å
100L94.8Very high93.3Very high72 Ų7243.5 Ų43.538%0.37722%0.217SC..Hα-helixtrans-61.2-38.1178.4-71.3169.2000111.9D96 V102 E103 E104D96-L100 WeakPolarHBondContact O-CB 3.2Å; D96-L100 VanDerWaalsContact O-CG 3.23Å; D96-L100 WeakPolarHBondContact O-CG 3.35Å; D96-L100 PolarHBondContact O-N 3.15Å; L100-V102 PolarHBondContact O-N 2.79Å; L100-E103 PolarHBondContact O-N 2.7Å; L100-E104 PolarHBondContact O-N 3.07Å
101C97.2Very high91.9Very high3 Ų343.8 Ų43.82%0.0222%0.215CC..Hα-helixtrans-63-40174.3-69.40000112.8L97 C98 R99 L105 M378 K382L97-C101 PolarHBondContact O-N 3.16Å; L97-C101 VanDerWaalsContact O-N 3.08Å; L97-C101 PolarHBondContact O-SG 2.9Å; C98-C101 PolarHBondContact O-N 3.5Å; R99-C101 VanDerWaalsContact C-N 3.31Å; R99-C101 PolarHBondContact O-N 3.2Å; C101-L105 VanDerWaalsContact O-CB 3.29Å; C101-L105 WeakPolarHBondContact O-CB 3.39Å; C101-L105 WeakPolarHBondContact O-CD1 3.39Å; C101-L105 VanDerWaalsContact O-CG 3.26Å; C101-L105 WeakPolarHBondContact O-CG 3.33Å; C101-L105 PolarHBondContact O-N 3.19Å; C101-L105 VanDerWaalsContact O-N 3.07Å; C101-M378 HydrophobicContact CB-CB 4.06Å; C101-K382 HydrophobicContact CB-CB 4.44Å; C101-K382 HydrophobicContact CB-CD 4.09Å; C101-K382 VanDerWaalsContact SG-CD 3.56Å
102V96.8Very high90.2Very high13 Ų1345.7 Ų45.78%0.07922%0.224CC..Hα-helixtrans-69.8-39.1176.2174.90000111.6C98 R99 L100 L105 A106 L137 V138 L142 M378C98-V102 PolarHBondContact O-N 2.74Å; C98-V102 VanDerWaalsContact O-N 3.1Å; R99-V102 PolarHBondContact O-N 3.43Å; R99-V102 VanDerWaalsContact O-N 3.14Å; L100-V102 PolarHBondContact O-N 2.79Å; V102-L105 PolarHBondContact O-N 2.86Å; V102-A106 WeakPolarHBondContact O-CB 3.46Å; V102-A106 PolarHBondContact O-N 3.22Å; V102-L137 HydrophobicContact CG2-CD1 4.44Å; V102-L137 HydrophobicContact CG2-CD2 4.48Å; V102-L137 HydrophobicContact CG2-CG 4.26Å; V102-V138 HydrophobicContact CG1-CB 4.47Å; V102-V138 HydrophobicContact CG1-CG2 4.11Å; V102-L142 HydrophobicContact CG2-CD1 4.43Å; V102-M378 HydrophobicContact CG2-SD 3.86Å
103E94.6Very high88.3Confident16 Ų1645.9 Ų45.98%0.07523%0.227CC..Hα-helixtrans-62.4-50174.7-74.7176.6-156.800112.2C68 A69 Q72 R99 L100 L105 A106 L107C68-E103 WeakPolarHBondContact CB-OE1 3.35Å; A69-E103 HydrophobicContact CB-CB 4.42Å; A69-E103 HydrophobicContact CB-CG 3.84Å; Q72-E103 PolarHBondContact NE2-OE2 2.96Å; R99-E103 WeakPolarHBondContact CG-OE1 3.41Å; R99-E103 IonicContact CZ-OE1 3.85Å; R99-E103 IonicContact NH1-OE1 2.91Å; R99-E103 PolarHBondContact NH1-OE1 2.8Å; R99-E103 IonicContact NH1-OE2 3.58Å; R99-E103 PolarHBondContact NH1-OE2 3.26Å; R99-E103 WeakPolarHBondContact O-CG 3.38Å; R99-E103 PolarHBondContact O-N 3.32Å; L100-E103 PolarHBondContact O-N 2.7Å; E103-L105 PolarHBondContact O-N 3.21Å; E103-A106 WeakPolarHBondContact O-CB 3.48Å; E103-A106 PolarHBondContact O-N 3.04Å; E103-L107 PolarHBondContact O-N 2.88Å
104E95Very high85.9Confident90 Ų9042.3 Ų42.342%0.42123%0.227SC..Hα-helixtrans-59.4-44.3175.7-79.1179.7-115.600112.3L100 A106 L107 K382L100-E104 PolarHBondContact O-N 3.07Å; E104-A106 VanDerWaalsContact C-N 3.32Å; E104-A106 PolarHBondContact O-N 2.89Å; E104-L107 VanDerWaalsContact O-CB 3.29Å; E104-L107 WeakPolarHBondContact O-CB 3.24Å; E104-L107 WeakPolarHBondContact O-CG 3.46Å; E104-L107 PolarHBondContact O-N 2.99Å; E104-K382 IonicContact OE1-NZ 2.79Å; E104-K382 PolarHBondContact OE1-NZ 2.93Å; E104-K382 WeakPolarHBondContact OE2-CE 3.43Å; E104-K382 IonicContact OE2-NZ 2.7Å; E104-K382 PolarHBondContact OE2-NZ 2.88Å
105L96.3Very high83.2Confident2 Ų244.2 Ų44.21%0.0125%0.252CS..Hα-helixtrans-61.7-39.8176.8-83.1171.8000112C101 V102 E103 L107 Y108 L134 L137 V381 K382 V385C101-L105 VanDerWaalsContact O-CB 3.29Å; C101-L105 WeakPolarHBondContact O-CB 3.39Å; C101-L105 WeakPolarHBondContact O-CD1 3.39Å; C101-L105 VanDerWaalsContact O-CG 3.26Å; C101-L105 WeakPolarHBondContact O-CG 3.33Å; C101-L105 PolarHBondContact O-N 3.19Å; C101-L105 VanDerWaalsContact O-N 3.07Å; V102-L105 PolarHBondContact O-N 2.86Å; E103-L105 PolarHBondContact O-N 3.21Å; L105-L107 PolarHBondContact O-N 3.09Å; L105-Y108 HydrophobicContact CD2-CD2 4.43Å; L105-Y108 HydrophobicContact CD2-CE2 4.22Å; L105-Y108 WeakPolarHBondContact O-CD2 3.19Å; L105-Y108 PolarHBondContact O-N 3.19Å; L105-L134 HydrophobicContact CB-CD1 3.83Å; L105-L134 WeakPolarHBondContact O-CD2 3.38Å; L105-L137 HydrophobicContact CD1-CD2 3.98Å; L105-V381 HydrophobicContact CD1-CG1 4.06Å; L105-K382 HydrophobicContact CD1-CB 4.34Å; L105-K382 HydrophobicContact CG-CB 4.43Å; L105-V385 HydrophobicContact CD2-CB 3.7Å; L105-V385 HydrophobicContact CD2-CG1 3.76Å; L105-V385 HydrophobicContact CD2-CG2 4.26Å
106A94.2Very high80.9Confident1 Ų153 Ų531%0.00829%0.29CS..Hα-helixtrans-59.2-29.6178.600000112.3A69 L73 V102 E103 E104 Y108 L109 V138A69-A106 HydrophobicContact CB-CB 3.84Å; L73-A106 HydrophobicContact CD1-CB 4.32Å; L73-A106 WeakPolarHBondContact CD2-O 3.46Å; V102-A106 WeakPolarHBondContact O-CB 3.46Å; V102-A106 PolarHBondContact O-N 3.22Å; E103-A106 WeakPolarHBondContact O-CB 3.48Å; E103-A106 PolarHBondContact O-N 3.04Å; E104-A106 VanDerWaalsContact C-N 3.32Å; E104-A106 PolarHBondContact O-N 2.89Å; A106-Y108 PolarHBondContact O-N 3.44Å; A106-L109 VanDerWaalsContact O-CB 3.24Å; A106-L109 WeakPolarHBondContact O-CB 3.43Å; A106-L109 WeakPolarHBondContact O-CG 3.43Å; A106-L109 PolarHBondContact O-N 3.03Å; A106-V138 HydrophobicContact CB-CG1 4.48Å; A106-V138 HydrophobicContact CB-CG2 3.73Å
107L92.8Very high78.4Confident65 Ų6553.1 Ų53.134%0.3430%0.304SS..G310 helixtrans-55.6-27.2-179.5-57.5179.2000113.5E103 E104 L105 L109 K110E103-L107 PolarHBondContact O-N 2.88Å; E104-L107 VanDerWaalsContact O-CB 3.29Å; E104-L107 WeakPolarHBondContact O-CB 3.24Å; E104-L107 WeakPolarHBondContact O-CG 3.46Å; E104-L107 PolarHBondContact O-N 2.99Å; L105-L107 PolarHBondContact O-N 3.09Å; L107-L109 PolarHBondContact O-N 2.63Å; L107-K110 HydrophobicContact CD2-CD 4.1Å; L107-K110 VanDerWaalsContact CD2-CE 3.48Å; L107-K110 VanDerWaalsContact O-CB 3.31Å; L107-K110 WeakPolarHBondContact O-CB 3.39Å; L107-K110 WeakPolarHBondContact O-CG 3.31Å; L107-K110 PolarHBondContact O-N 3.46Å; L107-K110 VanDerWaalsContact O-N 3.07Å
108Y92.4Very high76Confident62 Ų6257.1 Ų57.124%0.24333%0.331CS..G310 helixtrans-68.2-10.2175.2-58-51.6000114.1L105 A106 P111 L126 V385 H386 V389L105-Y108 HydrophobicContact CD2-CD2 4.43Å; L105-Y108 HydrophobicContact CD2-CE2 4.22Å; L105-Y108 WeakPolarHBondContact O-CD2 3.19Å; L105-Y108 PolarHBondContact O-N 3.19Å; A106-Y108 PolarHBondContact O-N 3.44Å; Y108-P111 WeakPolarHBondContact O-CD 3.39Å; Y108-L126 HydrophobicContact CD2-CD1 4.33Å; Y108-L126 HydrophobicContact CG-CD1 4.19Å; Y108-V385 HydrophobicContact CD2-CG1 4.11Å; Y108-V385 HydrophobicContact CE2-CG1 4.14Å; Y108-H386 PolarHBondContact OH-CD2 3.12Å; Y108-V389 HydrophobicContact CD1-CG1 4.22Å; Y108-V389 HydrophobicContact CD1-CG2 4.1Å; Y108-V389 HydrophobicContact CD2-CG2 4.31Å; Y108-V389 HydrophobicContact CE1-CB 4.29Å; Y108-V389 HydrophobicContact CE1-CG1 3.79Å; Y108-V389 HydrophobicContact CE1-CG2 4.05Å; Y108-V389 HydrophobicContact CE2-CG2 4.22Å; Y108-V389 HydrophobicContact CG-CG2 4.25Å
109L90.6Very high73.2Confident0 Ų061.1 Ų61.10%036%0.364CS..G310 helixtrans-85.4-12.6171.6-56.9174.5000113.3F11 L73 A106 L107 P111 I112 Q131 L134 V135F11-L109 HydrophobicContact CE2-CB 4.49Å; F11-L109 HydrophobicContact CE2-CD1 3.75Å; F11-L109 HydrophobicContact CZ-CB 4.15Å; F11-L109 HydrophobicContact CZ-CD1 4Å; L73-L109 HydrophobicContact CD1-CB 3.85Å; L73-L109 HydrophobicContact CD1-CD1 3.96Å; L73-L109 HydrophobicContact CD2-CB 4.26Å; A106-L109 VanDerWaalsContact O-CB 3.24Å; A106-L109 WeakPolarHBondContact O-CB 3.43Å; A106-L109 WeakPolarHBondContact O-CG 3.43Å; A106-L109 PolarHBondContact O-N 3.03Å; L107-L109 PolarHBondContact O-N 2.63Å; L109-P111 VanDerWaalsContact C-N 3.29Å; L109-P111 WeakPolarHBondContact O-CD 3.33Å; L109-P111 VanDerWaalsContact O-N 3.09Å; L109-I112 HydrophobicContact CD2-CD1 4.45Å; L109-I112 WeakPolarHBondContact O-CB 3.42Å; L109-I112 WeakPolarHBondContact O-CG1 3.49Å; L109-I112 PolarHBondContact O-N 3.15Å; L109-Q131 HydrophobicContact CD2-CB 4.02Å; L109-Q131 HydrophobicContact CD2-CG 4.21Å; L109-L134 HydrophobicContact CD1-CD2 4.33Å; L109-L134 HydrophobicContact CD1-CG 4.12Å; L109-L134 HydrophobicContact CD2-CB 4.5Å; L109-L134 HydrophobicContact CD2-CD2 3.79Å; L109-L134 HydrophobicContact CD2-CG 4.16Å; L109-L134 HydrophobicContact CG-CD2 3.77Å; L109-L134 HydrophobicContact CG-CG 4.11Å; L109-V135 HydrophobicContact CD1-CG2 3.67Å; L109-V135 HydrophobicContact CD2-CG2 4.16Å
110K80.9Confident70.4Confident97 Ų9766.5 Ų66.542%0.42240%0.397SS..G310 helixtrans-52.3-28.5-178.2-75.6-171.4168.7-176.10116.6Q72 L73 L107 I112 S113Q72-K110 WeakPolarHBondContact O-CE 3.45Å; Q72-K110 PolarHBondContact O-NZ 3.29Å; Q72-K110 VanDerWaalsContact O-NZ 3.07Å; L73-K110 HydrophobicContact CD2-CB 4.3Å; L73-K110 HydrophobicContact CD2-CD 4.31Å; L73-K110 HydrophobicContact CD2-CG 3.3Å; L107-K110 HydrophobicContact CD2-CD 4.1Å; L107-K110 VanDerWaalsContact CD2-CE 3.48Å; L107-K110 VanDerWaalsContact O-CB 3.31Å; L107-K110 WeakPolarHBondContact O-CB 3.39Å; L107-K110 WeakPolarHBondContact O-CG 3.31Å; L107-K110 PolarHBondContact O-N 3.46Å; L107-K110 VanDerWaalsContact O-N 3.07Å; K110-I112 PolarHBondContact O-N 3.35Å; K110-S113 PolarHBondContact O-N 2.99Å; K110-S113 VanDerWaalsContact O-N 3.14Å
111P59.2Low68.1Low53 Ų5370.5 Ų70.534%0.34442%0.418SS..G310 helixtrans-62-9.3172.6-25.336.1000115.3Y108 L109Y108-P111 WeakPolarHBondContact O-CD 3.39Å; L109-P111 VanDerWaalsContact C-N 3.29Å; L109-P111 WeakPolarHBondContact O-CD 3.33Å; L109-P111 VanDerWaalsContact O-N 3.09Å
112I54.4Low66.1Low71 Ų7174.3 Ų74.336%0.36445%0.445SS..G310 helixtrans-90.1-28.7176.8-54.8173.4000111.1F11 L109 K110 G114F11-I112 HydrophobicContact CE1-CD1 4.22Å; F11-I112 HydrophobicContact CE1-CG2 4.39Å; F11-I112 HydrophobicContact CZ-CD1 4.39Å; L109-I112 HydrophobicContact CD2-CD1 4.45Å; L109-I112 WeakPolarHBondContact O-CB 3.42Å; L109-I112 WeakPolarHBondContact O-CG1 3.49Å; L109-I112 PolarHBondContact O-N 3.15Å; K110-I112 PolarHBondContact O-N 3.35Å; I112-G114 PolarHBondContact O-N 2.89Å
113S51.2Low64.5Low38 Ų3879.5 Ų79.527%0.26648%0.479SS..  trans-78.421.7-175.6-47.90000115.2L73 K110 A115L73-S113 WeakPolarHBondContact O-CB 3.44Å; L73-S113 PolarHBondContact O-OG 2.87Å; K110-S113 PolarHBondContact O-N 2.99Å; K110-S113 VanDerWaalsContact O-N 3.14Å; S113-A115 PolarHBondContact O-N 3.17Å
114G42.7Very low63.5Low63 Ų6380.2 Ų80.265%0.64949%0.485SS*.  trans-63.3106.5-175.500000112I112I112-G114 PolarHBondContact O-N 2.89Å
115A39.6Very low63.1Low91 Ų9178.4 Ų78.475%0.75248%0.48SS*.  trans-59.1163-175.800000113.6S113 G117S113-A115 PolarHBondContact O-N 3.17Å; A115-G117 VanDerWaalsContact C-N 3.28Å; A115-G117 PolarHBondContact O-N 3.42Å
116K46.7Very low62.8Low193 Ų19378.5 Ų78.584%0.83948%0.481SS*.SBendtrans-62.673.7-177.3-65.7154.5-178.8135.50112.6E20E20-K116 IonicContact OE1-NZ 2.68Å; E20-K116 IonicContact OE2-NZ 2.75Å; E20-K116 PolarHBondContact OE2-NZ 3.16Å; E20-K116 VanDerWaalsContact OE2-NZ 3.11Å
117G40.2Very low62.7Low55 Ų5580 Ų8057%0.56749%0.491SS*.SBendtrans166.6103176.700000115.1A115 A119A115-G117 VanDerWaalsContact C-N 3.28Å; A115-G117 PolarHBondContact O-N 3.42Å; G117-A119 PolarHBondContact O-N 3.35Å
118V43.9Very low62.6Low161 Ų16186 Ų8698%0.97651%0.51SS*.  trans21.882.1158-165.70000116.6
119A37.7Very low62.7Low84 Ų8486.1 Ų86.169%0.69452%0.518SS*.  trans-134144.9162.300000109.7G117 L121G117-A119 PolarHBondContact O-N 3.35Å; A119-L121 PolarHBondContact O-N 3.48Å; A119-L121 VanDerWaalsContact O-N 3.15Å
120N38.2Very low62.9Low167 Ų16786.1 Ų86.189%0.89352%0.518SS*.  trans-64.2116.2-177.5-74.8-29.4000110.7S122N120-S122 PolarHBondContact O-N 3.15Å
121L46.4Very low63.6Low155 Ų15582.4 Ų82.481%0.81250%0.502SS*.  trans-6592.9175.5-70170.6000110.4A119A119-L121 PolarHBondContact O-N 3.48Å; A119-L121 VanDerWaalsContact O-N 3.15Å
122S53.6Low65.2Low84 Ų8487 Ų8759%0.58751%0.512SS*.PPolyproline II helixtrans-64.5128.6163.248.80000108.5N120 S124N120-S122 PolarHBondContact O-N 3.15Å; S122-S124 PolarHBondContact O-N 3.31Å
123P64.2Low67.2Low121 Ų12186.2 Ų86.279%0.78651%0.506SS*.PPolyproline II helixtrans-63132.217725.8-33.1000109.1V125P123-V125 PolarHBondContact O-N 2.84Å
124S73.7Confident69.4Low31 Ų3184.5 Ų84.522%0.21749%0.494CS..PPolyproline II helixtrans-55.7137.6175.6179.20000110.4S122 L126 Q131S122-S124 PolarHBondContact O-N 3.31Å; S124-L126 PolarHBondContact O-N 3.46Å; S124-Q131 VanDerWaalsContact CB-NE2 3.33Å; S124-Q131 PolarHBondContact OG-NE2 3.28Å
125V85.4Confident71.9Confident52 Ų5281.7 Ų81.732%0.31546%0.464SS..SBendtrans-67.2-29-178.1-174.40000111.4P123 V389 I392 Q393P123-V125 PolarHBondContact O-N 2.84Å; V125-V389 HydrophobicContact CG1-CG1 4.13Å; V125-I392 HydrophobicContact CG1-CB 4.01Å; V125-I392 HydrophobicContact CG1-CG2 3.74Å; V125-Q393 HydrophobicContact CG1-CG 3.98Å; V125-Q393 HydrophobicContact CG2-CG 4.28Å
126L91.5Very high74.6Confident4 Ų480.6 Ų80.62%0.02145%0.449CS..SBendtrans-87.5140.6176.9-64.6-173.9000111.4Y108 S124 M130 Q131 L134 V385 L388 V389Y108-L126 HydrophobicContact CD2-CD1 4.33Å; Y108-L126 HydrophobicContact CG-CD1 4.19Å; S124-L126 PolarHBondContact O-N 3.46Å; L126-M130 HydrophobicContact CB-CB 4.25Å; L126-M130 HydrophobicContact CB-CG 4.24Å; L126-M130 HydrophobicContact CD1-CG 4.06Å; L126-M130 HydrophobicContact CD2-CG 4Å; L126-M130 HydrophobicContact CG-CG 4.34Å; L126-Q131 HydrophobicContact CB-CG 4.14Å; L126-Q131 PolarHBondContact O-NE2 2.8Å; L126-L134 HydrophobicContact CD1-CD2 3.78Å; L126-V385 HydrophobicContact CD1-CG1 4.46Å; L126-V385 HydrophobicContact CD2-CG1 4.5Å; L126-L388 HydrophobicContact CD2-CD2 4.4Å; L126-V389 HydrophobicContact CD2-CG2 3.47Å; L126-V389 VanDerWaalsContact CD2-CG2 3.47Å; L126-V389 HydrophobicContact CG-CG2 4.17Å
127S91.8Very high77Confident33 Ų3371.5 Ų71.523%0.23141%0.409CS..  trans-64.9156.8173.886.40000112.2P129 M130 Q131 E165S127-P129 WeakPolarHBondContact OG-CD 3.3Å; S127-M130 WeakPolarHBondContact O-CA 3.48Å; S127-M130 WeakPolarHBondContact O-CB 3.08Å; S127-M130 PolarHBondContact O-N 3.18Å; S127-M130 PolarHBondContact OG-N 3.41Å; S127-Q131 WeakPolarHBondContact O-CG 3.32Å; S127-Q131 PolarHBondContact O-N 2.84Å; S127-E165 WeakPolarHBondContact CB-OE1 3.39Å; S127-E165 WeakPolarHBondContact CB-OE2 3.41Å; S127-E165 PolarHBondContact OG-OE1 2.97Å; S127-E165 PolarHBondContact OG-OE2 3.37Å
128R91.5Very high79.7Confident192 Ų19269 Ų6973%0.72538%0.382SS*.Hα-helixtrans-54.4-44.6173.5-78.9-176.6175.2-179.9-1.8113.5W8 M130 Q131 R132W8-R128 HydrophobicContact CH2-CB 4.23Å; W8-R128 HydrophobicContact CH2-CG 4.32Å; R128-M130 VanDerWaalsContact C-N 3.27Å; R128-M130 PolarHBondContact O-N 2.9Å; R128-Q131 PolarHBondContact O-N 3.36Å; R128-R132 PolarHBondContact O-N 3.12Å
129P93.2Very high82.2Confident63 Ų6362.5 Ų62.541%0.40934%0.342SS..Hα-helixtrans-55.2-37.8170.7-30.536000114.6S127 K133S127-P129 WeakPolarHBondContact OG-CD 3.3Å; P129-K133 PolarHBondContact O-N 3.14Å
130M95.6Very high85Confident0 Ų059 Ų590%031%0.313CS..Hα-helixtrans-72-47.5177-171.261.785.200111.6L126 S127 R128 R132 K133 L134 L158 R161 T162 L388L126-M130 HydrophobicContact CB-CB 4.25Å; L126-M130 HydrophobicContact CB-CG 4.24Å; L126-M130 HydrophobicContact CD1-CG 4.06Å; L126-M130 HydrophobicContact CD2-CG 4Å; L126-M130 HydrophobicContact CG-CG 4.34Å; S127-M130 WeakPolarHBondContact O-CA 3.48Å; S127-M130 WeakPolarHBondContact O-CB 3.08Å; S127-M130 PolarHBondContact O-N 3.18Å; S127-M130 PolarHBondContact OG-N 3.41Å; R128-M130 VanDerWaalsContact C-N 3.27Å; R128-M130 PolarHBondContact O-N 2.9Å; M130-R132 VanDerWaalsContact C-N 3.3Å; M130-R132 PolarHBondContact O-N 3.07Å; M130-K133 PolarHBondContact O-N 3.1Å; M130-K133 VanDerWaalsContact O-N 3.15Å; M130-L134 WeakPolarHBondContact O-CB 3.16Å; M130-L134 PolarHBondContact O-N 3.25Å; M130-L158 HydrophobicContact SD-CD2 3.39Å; M130-L158 WeakPolarHBondContact SD-CD2 3.46Å; M130-R161 HydrophobicContact CE-CB 3.98Å; M130-R161 HydrophobicContact CE-CG 3.72Å; M130-R161 HydrophobicContact SD-CB 4.36Å; M130-R161 HydrophobicContact SD-CG 4.11Å; M130-T162 WeakPolarHBondContact CE-OG1 3.34Å; M130-L388 HydrophobicContact CE-CD2 3.56Å
131Q94.6Very high87.7Confident20 Ų2051.5 Ų51.59%0.09327%0.272CS..Hα-helixtrans-52.7-45.7174.7-66.21648.700111.7W8 L109 S124 L126 S127 R128 K133 L134 V135W8-Q131 HydrophobicContact CH2-CB 4.45Å; W8-Q131 HydrophobicContact CZ3-CB 3.97Å; L109-Q131 HydrophobicContact CD2-CB 4.02Å; L109-Q131 HydrophobicContact CD2-CG 4.21Å; S124-Q131 VanDerWaalsContact CB-NE2 3.33Å; S124-Q131 PolarHBondContact OG-NE2 3.28Å; L126-Q131 HydrophobicContact CB-CG 4.14Å; L126-Q131 PolarHBondContact O-NE2 2.8Å; S127-Q131 WeakPolarHBondContact O-CG 3.32Å; S127-Q131 PolarHBondContact O-N 2.84Å; R128-Q131 PolarHBondContact O-N 3.36Å; Q131-K133 PolarHBondContact O-N 3.48Å; Q131-L134 PolarHBondContact O-N 3.5Å; Q131-V135 WeakPolarHBondContact O-CG2 3.29Å; Q131-V135 PolarHBondContact O-N 3.39Å
132R94.1Very high90Very high149 Ų14944.7 Ų44.756%0.56224%0.237SC*.Hα-helixtrans-62.4-42179-177.7176.9172.3-161.1-3.5112.8W8 R128 M130 T136W8-R132 HydrophobicContact CB-CG 4.27Å; W8-R132 HydrophobicContact CD2-CB 3.81Å; W8-R132 HydrophobicContact CD2-CG 3.75Å; W8-R132 HydrophobicContact CE3-CB 3.64Å; W8-R132 HydrophobicContact CE3-CG 4.02Å; W8-R132 HydrophobicContact CG-CB 4.45Å; W8-R132 HydrophobicContact CG-CG 3.86Å; W8-R132 HydrophobicContact CH2-CB 4.26Å; W8-R132 HydrophobicContact CZ2-CB 4.4Å; W8-R132 HydrophobicContact CZ3-CB 3.89Å; R128-R132 PolarHBondContact O-N 3.12Å; M130-R132 VanDerWaalsContact C-N 3.3Å; M130-R132 PolarHBondContact O-N 3.07Å; R132-T136 PolarHBondContact O-N 2.92Å; R132-T136 VanDerWaalsContact O-N 3.15Å; R132-T136 PolarHBondContact O-OG1 3.11Å
133K96.5Very high91.8Very high55 Ų5541.8 Ų41.824%0.23922%0.216CC..Hα-helixtrans-68-36.9175.8-74.3165.6174.9-92.30111.4P129 M130 Q131 T136 L137 S157 L158 R161P129-K133 PolarHBondContact O-N 3.14Å; M130-K133 PolarHBondContact O-N 3.1Å; M130-K133 VanDerWaalsContact O-N 3.15Å; Q131-K133 PolarHBondContact O-N 3.48Å; K133-T136 VanDerWaalsContact O-CB 3.29Å; K133-T136 WeakPolarHBondContact O-CB 3.34Å; K133-T136 PolarHBondContact O-N 2.9Å; K133-T136 VanDerWaalsContact O-N 3.15Å; K133-L137 PolarHBondContact O-N 3.47Å; K133-L137 VanDerWaalsContact O-N 3.07Å; K133-S157 WeakPolarHBondContact CD-O 3.44Å; K133-S157 PolarHBondContact NZ-O 3.26Å; K133-S157 PolarHBondContact NZ-OG 2.84Å; K133-L158 HydrophobicContact CB-CD2 3.57Å; K133-L158 HydrophobicContact CB-CG 4.03Å; K133-R161 HydrophobicContact CD-CB 3.76Å; K133-R161 HydrophobicContact CD-CG 3.98Å
134L96.8Very high93.1Very high1 Ų136.8 Ų36.81%0.00518%0.182CC..Hα-helixtrans-65.9-44.8176174.856.1000111.7L105 L109 L126 M130 Q131 T136 L137 V138 L158L105-L134 HydrophobicContact CB-CD1 3.83Å; L105-L134 WeakPolarHBondContact O-CD2 3.38Å; L109-L134 HydrophobicContact CD1-CD2 4.33Å; L109-L134 HydrophobicContact CD1-CG 4.12Å; L109-L134 HydrophobicContact CD2-CB 4.5Å; L109-L134 HydrophobicContact CD2-CD2 3.79Å; L109-L134 HydrophobicContact CD2-CG 4.16Å; L109-L134 HydrophobicContact CG-CD2 3.77Å; L109-L134 HydrophobicContact CG-CG 4.11Å; L126-L134 HydrophobicContact CD1-CD2 3.78Å; M130-L134 WeakPolarHBondContact O-CB 3.16Å; M130-L134 PolarHBondContact O-N 3.25Å; Q131-L134 PolarHBondContact O-N 3.5Å; L134-T136 PolarHBondContact O-N 3.36Å; L134-L137 PolarHBondContact O-N 3.15Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L134-V138 HydrophobicContact CD1-CG2 4.11Å; L134-V138 WeakPolarHBondContact O-CG2 3.43Å; L134-V138 PolarHBondContact O-N 3.36Å; L134-L158 HydrophobicContact CB-CD2 4.24Å
135V95.6Very high94Very high4 Ų441 Ų412%0.02420%0.198CC..Hα-helixtrans-58.1-33.2170.9170.30000111.8F11 L109 Q131 V138 N139F11-V135 HydrophobicContact CB-CG1 3.68Å; F11-V135 HydrophobicContact CD1-CG1 4.44Å; F11-V135 HydrophobicContact CD1-CG2 3.94Å; F11-V135 HydrophobicContact CD2-CG1 4.21Å; F11-V135 HydrophobicContact CD2-CG2 3.89Å; F11-V135 HydrophobicContact CE1-CG2 4.05Å; F11-V135 HydrophobicContact CE2-CG2 3.99Å; F11-V135 HydrophobicContact CG-CG1 3.86Å; F11-V135 HydrophobicContact CG-CG2 3.87Å; F11-V135 HydrophobicContact CZ-CG2 4.08Å; L109-V135 HydrophobicContact CD1-CG2 3.67Å; L109-V135 HydrophobicContact CD2-CG2 4.16Å; Q131-V135 WeakPolarHBondContact O-CG2 3.29Å; Q131-V135 PolarHBondContact O-N 3.39Å; V135-V138 PolarHBondContact O-N 3.29Å; V135-N139 PolarHBondContact O-N 3.08Å; V135-N139 VanDerWaalsContact O-N 3.16Å; V135-N139 PolarHBondContact O-ND2 2.99Å
136T96Very high94.3Very high69 Ų6943.1 Ų43.142%0.42320%0.204SC..Hα-helixtrans-68-41.8176.7-50.30000111.3R132 K133 L134 C140R132-T136 PolarHBondContact O-N 2.92Å; R132-T136 VanDerWaalsContact O-N 3.15Å; R132-T136 PolarHBondContact O-OG1 3.11Å; K133-T136 VanDerWaalsContact O-CB 3.29Å; K133-T136 WeakPolarHBondContact O-CB 3.34Å; K133-T136 PolarHBondContact O-N 2.9Å; K133-T136 VanDerWaalsContact O-N 3.15Å; L134-T136 PolarHBondContact O-N 3.36Å; T136-C140 PolarHBondContact O-SG 3.36Å
137L97.5Very high94.4Very high1 Ų142.9 Ų42.91%0.00520%0.203CC..Hα-helixtrans-64.9-46.7172.8178.261.7000111.8V102 L105 K133 L134 N139 C140 A151 A154 L158 M378 V381V102-L137 HydrophobicContact CG2-CD1 4.44Å; V102-L137 HydrophobicContact CG2-CD2 4.48Å; V102-L137 HydrophobicContact CG2-CG 4.26Å; L105-L137 HydrophobicContact CD1-CD2 3.98Å; K133-L137 PolarHBondContact O-N 3.47Å; K133-L137 VanDerWaalsContact O-N 3.07Å; L134-L137 PolarHBondContact O-N 3.15Å; L134-L137 VanDerWaalsContact O-N 3.12Å; L137-N139 PolarHBondContact O-N 3.31Å; L137-C140 VanDerWaalsContact O-CB 3.32Å; L137-C140 WeakPolarHBondContact O-CB 3.48Å; L137-C140 PolarHBondContact O-N 3.24Å; L137-A151 HydrophobicContact CD1-CB 3.9Å; L137-A154 HydrophobicContact CB-CB 4.01Å; L137-A154 HydrophobicContact CD1-CB 4.21Å; L137-L158 HydrophobicContact CB-CD1 4.02Å; L137-L158 HydrophobicContact CD2-CD1 3.65Å; L137-L158 HydrophobicContact CG-CD1 4.47Å; L137-M378 HydrophobicContact CD1-CE 3.97Å; L137-M378 HydrophobicContact CD1-SD 4.04Å; L137-V381 HydrophobicContact CD2-CG1 4.29Å
138V96.8Very high94.5Very high2 Ų242.8 Ų42.81%0.01220%0.198CC..Hα-helixtrans-60.5-28.3-178.1170.10000112.9N67 A69 L70 V102 A106 L134 V135N67-V138 PolarHBondContact ND2-O 3.39Å; A69-V138 HydrophobicContact CB-CG1 4.07Å; L70-V138 HydrophobicContact CD2-CG1 3.71Å; L70-V138 HydrophobicContact CG-CG1 3.96Å; V102-V138 HydrophobicContact CG1-CB 4.47Å; V102-V138 HydrophobicContact CG1-CG2 4.11Å; A106-V138 HydrophobicContact CB-CG1 4.48Å; A106-V138 HydrophobicContact CB-CG2 3.73Å; L134-V138 HydrophobicContact CD1-CG2 4.11Å; L134-V138 WeakPolarHBondContact O-CG2 3.43Å; L134-V138 PolarHBondContact O-N 3.36Å; V135-V138 PolarHBondContact O-N 3.29Å
139N95.7Very high94.6Very high25 Ų2534.4 Ų34.413%0.13417%0.168CC..THydrogen-bonded Turntrans-84.82.5176.2-73.8-28.9000114.6S30 S34 T36 V135 L137S30-N139 WeakPolarHBondContact CB-O 3.32Å; S34-N139 WeakPolarHBondContact CA-O 3.34Å; S34-N139 WeakPolarHBondContact O-CB 3.31Å; T36-N139 PolarHBondContact OG1-OD1 2.97Å; V135-N139 PolarHBondContact O-N 3.08Å; V135-N139 VanDerWaalsContact O-N 3.16Å; V135-N139 PolarHBondContact O-ND2 2.99Å; L137-N139 PolarHBondContact O-N 3.31Å
140C95.9Very high94.7Very high11 Ų1134.4 Ų34.47%0.07416%0.16CC..  trans-80.2127.2179.8-64.80000111.9S34 T136 L137 L142 A151S34-C140 PolarHBondContact OG-SG 2.95Å; S34-C140 VanDerWaalsContact OG-SG 3.37Å; T136-C140 PolarHBondContact O-SG 3.36Å; L137-C140 VanDerWaalsContact O-CB 3.32Å; L137-C140 WeakPolarHBondContact O-CB 3.48Å; L137-C140 PolarHBondContact O-N 3.24Å; C140-L142 HydrophobicContact CB-CD2 4.42Å; C140-L142 PolarHBondContact O-N 2.89Å; C140-A151 HydrophobicContact CB-CB 3.87Å
141Q95.1Very high94.7Very high10 Ų1034.4 Ų34.45%0.04716%0.16CC..  trans-85.995.4179.5-179.651.7-84.900111.5S30 L64 V143 E144 G147S30-Q141 WeakPolarHBondContact O-CG 3.41Å; S30-Q141 PolarHBondContact O-NE2 2.84Å; L64-Q141 HydrophobicContact CD2-CG 4Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 HydrophobicContact CG-CG2 4.05Å; Q141-V143 PolarHBondContact O-N 3.2Å; Q141-E144 HydrophobicContact CG-CB 4.34Å; Q141-E144 HydrophobicContact CG-CG 4.12Å; Q141-E144 PolarHBondContact O-N 2.99Å; Q141-E144 VanDerWaalsContact O-N 3.15Å; Q141-G147 WeakPolarHBondContact O-CA 3.42Å
142L94.2Very high94.8Very high11 Ų1134.2 Ų34.26%0.05816%0.16CC..THydrogen-bonded Turntrans-67.5-20.2-168.2-56.3-177.7000115Y95 C98 V102 C140 E144 R148 A151 W371 L374Y95-L142 HydrophobicContact CD2-CB 4.25Å; Y95-L142 HydrophobicContact CE2-CB 4.12Å; C98-L142 HydrophobicContact CB-CD1 3.82Å; V102-L142 HydrophobicContact CG2-CD1 4.43Å; C140-L142 HydrophobicContact CB-CD2 4.42Å; C140-L142 PolarHBondContact O-N 2.89Å; L142-E144 VanDerWaalsContact C-N 3.32Å; L142-R148 WeakPolarHBondContact O-CD 3.26Å; L142-R148 WeakPolarHBondContact O-CG 3.49Å; L142-R148 PolarHBondContact O-NH1 2.86Å; L142-R148 VanDerWaalsContact O-NH1 3.12Å; L142-A151 HydrophobicContact CD2-CB 3.6Å; L142-W371 VanDerWaalsContact O-CH2 3.3Å; L142-W371 WeakPolarHBondContact O-CH2 3.23Å; L142-L374 HydrophobicContact CD2-CD2 4.48Å
143V92.5Very high94.8Very high24 Ų2431.3 Ų31.315%0.14515%0.149CC..THydrogen-bonded Turntrans-71.7-29.5175.5-51.80000111.9L64 P65 V84 Y95 Q141 R148L64-V143 HydrophobicContact CD2-CG2 4.04Å; P65-V143 HydrophobicContact CG-CG1 3.75Å; P65-V143 HydrophobicContact CG-CG2 4.39Å; V84-V143 HydrophobicContact CG1-CG1 3.79Å; V84-V143 HydrophobicContact CG2-CG1 4.41Å; Y95-V143 HydrophobicContact CD2-CG1 4.19Å; Y95-V143 HydrophobicContact CE2-CG1 3.54Å; Q141-V143 VanDerWaalsContact C-N 3.28Å; Q141-V143 HydrophobicContact CG-CG2 4.05Å; Q141-V143 PolarHBondContact O-N 3.2Å; V143-R148 PolarHBondContact O-NH1 3.37Å
144E91.8Very high94.8Very high16 Ų1629.1 Ų29.18%0.07514%0.141CC..SBendtrans-88.6137.5178.1-66.3-173.5135.700110.6G32 T59 L64 Q141 L142 E146 G147 R148G32-E144 WeakPolarHBondContact CA-OE2 3.48Å; G32-E144 PolarHBondContact N-OE2 3.21Å; T59-E144 WeakPolarHBondContact CB-OE1 3.38Å; T59-E144 PolarHBondContact OG1-OE1 3.44Å; L64-E144 HydrophobicContact CD2-CG 4.15Å; Q141-E144 HydrophobicContact CG-CB 4.34Å; Q141-E144 HydrophobicContact CG-CG 4.12Å; Q141-E144 PolarHBondContact O-N 2.99Å; Q141-E144 VanDerWaalsContact O-N 3.15Å; L142-E144 VanDerWaalsContact C-N 3.32Å; E144-E146 PolarHBondContact O-N 3.07Å; E144-G147 WeakPolarHBondContact O-CA 3.47Å; E144-G147 PolarHBondContact O-N 3.42Å; E144-R148 PolarHBondContact O-N 2.66Å
145E91.8Very high94.9Very high119 Ų11929.1 Ų29.156%0.55614%0.141SC*.Hα-helixtrans-58.6-48-177.1-170.6177.7164.100112.3G147 R148 V149 A368E145-G147 PolarHBondContact O-N 2.94Å; E145-R148 PolarHBondContact O-N 3.44Å; E145-R148 VanDerWaalsContact O-N 3.09Å; E145-V149 WeakPolarHBondContact O-CG2 3.49Å; E145-V149 PolarHBondContact O-N 3.49Å; E145-A368 HydrophobicContact CG-CB 3.31Å; E145-A368 WeakPolarHBondContact OE1-CB 3.38Å
146E91.3Very high94.9Very high96 Ų9630.6 Ų30.645%0.44915%0.146SC..Hα-helixtrans-49.4-37.9169-82.3-72.7102.200112.9E144 R150E144-E146 PolarHBondContact O-N 3.07Å; E146-R150 VanDerWaalsContact CD-NH1 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.34Å; E146-R150 PolarHBondContact O-N 3.39Å; E146-R150 VanDerWaalsContact O-N 3.15Å; E146-R150 PolarHBondContact O-NH1 2.89Å; E146-R150 IonicContact OE1-NH1 3.74Å; E146-R150 IonicContact OE2-CZ 2.91Å; E146-R150 IonicContact OE2-NH1 3.01Å; E146-R150 PolarHBondContact OE2-NH1 2.93Å; E146-R150 IonicContact OE2-NH2 3.77Å; E146-R150 PolarHBondContact OE2-NH2 3.31Å
147G93.4Very high94.9Very high0 Ų029.3 Ų29.30%014%0.14CC..Hα-helixtrans-76.4-38178.700000113Q141 E144 E145 R150 A151Q141-G147 WeakPolarHBondContact O-CA 3.42Å; E144-G147 WeakPolarHBondContact O-CA 3.47Å; E144-G147 PolarHBondContact O-N 3.42Å; E145-G147 PolarHBondContact O-N 2.94Å; G147-R150 PolarHBondContact O-N 3.33Å; G147-A151 WeakPolarHBondContact O-CB 3.39Å; G147-A151 PolarHBondContact O-N 3.37Å
148R94.5Very high94.9Very high30 Ų3029.3 Ų29.311%0.11314%0.14CC..Hα-helixtrans-61.7-44.8172-64.5-167.5-72.9-773.9111.7L142 V143 E144 E145 R150 A151 V152 P369 L374L142-R148 WeakPolarHBondContact O-CD 3.26Å; L142-R148 WeakPolarHBondContact O-CG 3.49Å; L142-R148 PolarHBondContact O-NH1 2.86Å; L142-R148 VanDerWaalsContact O-NH1 3.12Å; V143-R148 PolarHBondContact O-NH1 3.37Å; E144-R148 PolarHBondContact O-N 2.66Å; E145-R148 PolarHBondContact O-N 3.44Å; E145-R148 VanDerWaalsContact O-N 3.09Å; R148-R150 VanDerWaalsContact C-N 3.35Å; R148-R150 PolarHBondContact O-N 3.43Å; R148-A151 WeakPolarHBondContact O-CB 3.29Å; R148-A151 PolarHBondContact O-N 2.81Å; R148-V152 PolarHBondContact O-N 3.31Å; R148-P369 HydrophobicContact CB-CG 3.92Å; R148-L374 HydrophobicContact CB-CD1 4.43Å; R148-L374 HydrophobicContact CB-CD2 4.35Å; R148-L374 HydrophobicContact CG-CD2 3.82Å
149V94.4Very high95Very high16 Ų1629.2 Ų29.210%0.09714%0.14CC..Hα-helixtrans-60.8-42.8176.6174.30000111.2E145 R153 A368E145-V149 WeakPolarHBondContact O-CG2 3.49Å; E145-V149 PolarHBondContact O-N 3.49Å; V149-R153 VanDerWaalsContact CG1-NH1 3.26Å; V149-R153 WeakPolarHBondContact O-CG 3.29Å; V149-R153 PolarHBondContact O-N 3.3Å; V149-R153 VanDerWaalsContact O-N 3.16Å; V149-A368 HydrophobicContact CG2-CB 3.81Å
150R94.4Very high95Very high63 Ų6330 Ų3024%0.23814%0.143CC..Hα-helixtrans-65.9-38.4173.5-76174.8-170.665.7-6.7112.7G32 S34 E146 G147 R148 R153 A154G32-R150 VanDerWaalsContact O-CD 3.25Å; G32-R150 WeakPolarHBondContact O-CD 3.33Å; G32-R150 VanDerWaalsContact O-CZ 3.26Å; G32-R150 PolarHBondContact O-NE 2.79Å; G32-R150 PolarHBondContact O-NH1 3.35Å; S34-R150 WeakPolarHBondContact OG-CD 3.43Å; E146-R150 VanDerWaalsContact CD-NH1 3.31Å; E146-R150 WeakPolarHBondContact O-CG 3.34Å; E146-R150 PolarHBondContact O-N 3.39Å; E146-R150 VanDerWaalsContact O-N 3.15Å; E146-R150 PolarHBondContact O-NH1 2.89Å; E146-R150 IonicContact OE1-NH1 3.74Å; E146-R150 IonicContact OE2-CZ 2.91Å; E146-R150 IonicContact OE2-NH1 3.01Å; E146-R150 PolarHBondContact OE2-NH1 2.93Å; E146-R150 IonicContact OE2-NH2 3.77Å; E146-R150 PolarHBondContact OE2-NH2 3.31Å; G147-R150 PolarHBondContact O-N 3.33Å; R148-R150 VanDerWaalsContact C-N 3.35Å; R148-R150 PolarHBondContact O-N 3.43Å; R150-R153 PolarHBondContact O-N 3.31Å; R150-A154 WeakPolarHBondContact O-CB 3.49Å; R150-A154 PolarHBondContact O-N 2.99Å
151A96.3Very high95Very high0 Ų032.3 Ų32.30%015%0.15CC..Hα-helixtrans-62.3-44.7177.600000112.1L137 C140 L142 G147 R148 A154 A155 L374 M378L137-A151 HydrophobicContact CD1-CB 3.9Å; C140-A151 HydrophobicContact CB-CB 3.87Å; L142-A151 HydrophobicContact CD2-CB 3.6Å; G147-A151 WeakPolarHBondContact O-CB 3.39Å; G147-A151 PolarHBondContact O-N 3.37Å; R148-A151 WeakPolarHBondContact O-CB 3.29Å; R148-A151 PolarHBondContact O-N 2.81Å; A151-A154 PolarHBondContact O-N 3.18Å; A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 3.23Å; A151-L374 HydrophobicContact CB-CD1 4.26Å; A151-M378 HydrophobicContact CB-CE 4.2Å
152V96.6Very high95.1Very high17 Ų1731.9 Ų31.910%0.10315%0.148CC..Hα-helixtrans-63.1-44.21761680000111.5R148 A154 A155 R156 I360 P369 L374 V377R148-V152 PolarHBondContact O-N 3.31Å; V152-A154 PolarHBondContact O-N 2.91Å; V152-A155 PolarHBondContact O-N 3.38Å; V152-R156 PolarHBondContact O-N 3.16Å; V152-I360 HydrophobicContact CG1-CB 4.42Å; V152-I360 HydrophobicContact CG1-CD1 3.98Å; V152-I360 HydrophobicContact CG1-CG1 4.09Å; V152-I360 HydrophobicContact CG1-CG2 3.46Å; V152-I360 VanDerWaalsContact CG1-CG2 3.46Å; V152-P369 HydrophobicContact CG2-CB 4.03Å; V152-P369 HydrophobicContact CG2-CG 3.78Å; V152-L374 HydrophobicContact CG2-CD1 3.71Å; V152-V377 HydrophobicContact CG1-CG1 4.5Å; V152-V377 HydrophobicContact CG2-CB 4.46Å; V152-V377 HydrophobicContact CG2-CG1 4.16Å
153R94.6Very high95.1Very high87 Ų8731.3 Ų31.333%0.32815%0.145SC..Hα-helixtrans-61.7-40.7173.9-70171.6-179.5153.47.2111.9V149 R150 S157 N363 P364V149-R153 VanDerWaalsContact CG1-NH1 3.26Å; V149-R153 WeakPolarHBondContact O-CG 3.29Å; V149-R153 PolarHBondContact O-N 3.3Å; V149-R153 VanDerWaalsContact O-N 3.16Å; R150-R153 PolarHBondContact O-N 3.31Å; R153-S157 WeakPolarHBondContact O-CB 3.37Å; R153-S157 PolarHBondContact O-N 3.01Å; R153-S157 VanDerWaalsContact O-N 3.11Å; R153-N363 PolarHBondContact NH2-O 3.28Å; R153-P364 VanDerWaalsContact NH2-C 3.3Å; R153-P364 VanDerWaalsContact NH2-CA 3.29Å; R153-P364 PolarHBondContact NH2-O 3.11Å
154A96.2Very high95.2Very high10 Ų1031.4 Ų31.48%0.08315%0.145CC..Hα-helixtrans-66.3-40.3175.900000112.3L137 R150 A151 V152 S157 L158L137-A154 HydrophobicContact CB-CB 4.01Å; L137-A154 HydrophobicContact CD1-CB 4.21Å; R150-A154 WeakPolarHBondContact O-CB 3.49Å; R150-A154 PolarHBondContact O-N 2.99Å; A151-A154 PolarHBondContact O-N 3.18Å; V152-A154 PolarHBondContact O-N 2.91Å; A154-S157 CarbonylContact O-C 2.95Å; A154-S157 WeakPolarHBondContact O-CB 3.47Å; A154-S157 PolarHBondContact O-N 3.12Å; A154-L158 WeakPolarHBondContact O-CG 3.28Å; A154-L158 PolarHBondContact O-N 3.46Å
155A97.8Very high95.3Very high0 Ų031.2 Ų31.20%015%0.145CC..Hα-helixtrans-63.4-45.5176.900000112.7A151 V152 S157 L158 G159 L357 V377 M378 V381A151-A155 WeakPolarHBondContact O-CB 3.49Å; A151-A155 PolarHBondContact O-N 3.23Å; V152-A155 PolarHBondContact O-N 3.38Å; A155-S157 VanDerWaalsContact C-N 3.29Å; A155-S157 PolarHBondContact O-N 3Å; A155-L158 WeakPolarHBondContact O-CB 3.37Å; A155-L158 PolarHBondContact O-N 3.27Å; A155-G159 PolarHBondContact O-N 3.47Å; A155-L357 HydrophobicContact CB-CD2 4.15Å; A155-V377 HydrophobicContact CB-CG1 3.48Å; A155-V377 VanDerWaalsContact CB-CG1 3.48Å; A155-M378 HydrophobicContact CB-CE 3.82Å; A155-V381 HydrophobicContact CB-CB 4Å; A155-V381 HydrophobicContact CB-CG1 3.86Å; A155-V381 HydrophobicContact CB-CG2 4.32Å
156R96.1Very high95.4Very high35 Ų3525.6 Ų25.613%0.13212%0.118CC..Hα-helixtrans-55-47.3169.6178.3172.5-179.5-176.80.4111.2V152 L158 G159 E160 P324 F327 L357 I360 H362V152-R156 PolarHBondContact O-N 3.16Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.11Å; R156-G159 PolarHBondContact O-N 3.37Å; R156-E160 PolarHBondContact O-N 3.5Å; R156-P324 PolarHBondContact NH2-O 2.92Å; R156-F327 HydrophobicContact CG-CD1 3.86Å; R156-F327 HydrophobicContact CG-CE1 3.98Å; R156-F327 WeakPolarHBondContact O-CE1 3.27Å; R156-L357 WeakPolarHBondContact CG-O 3.35Å; R156-I360 HydrophobicContact CB-CB 4.37Å; R156-I360 HydrophobicContact CB-CD1 4Å; R156-I360 HydrophobicContact CB-CG2 4.21Å; R156-I360 PolarHBondContact NH1-O 2.94Å; R156-H362 VanDerWaalsContact NH1-N 3.1Å
157S96Very high95.4Very high43 Ų4321 Ų2130%0.30110%0.097SC..Hα-helixtrans-65.5-30.5-177.9-143.70000113.3K133 R153 A154 A155 R161K133-S157 WeakPolarHBondContact CD-O 3.44Å; K133-S157 PolarHBondContact NZ-O 3.26Å; K133-S157 PolarHBondContact NZ-OG 2.84Å; R153-S157 WeakPolarHBondContact O-CB 3.37Å; R153-S157 PolarHBondContact O-N 3.01Å; R153-S157 VanDerWaalsContact O-N 3.11Å; A154-S157 CarbonylContact O-C 2.95Å; A154-S157 WeakPolarHBondContact O-CB 3.47Å; A154-S157 PolarHBondContact O-N 3.12Å; A155-S157 VanDerWaalsContact C-N 3.29Å; A155-S157 PolarHBondContact O-N 3Å; S157-R161 WeakPolarHBondContact O-CB 3.39Å; S157-R161 PolarHBondContact O-N 3.29Å
158L97.9Very high95.3Very high0 Ų024.3 Ų24.30%011%0.114CC..Hα-helixtrans-70.2-48.7170-78.5165.5000111.1M130 K133 L134 L137 A154 A155 R156 E160 R161 T162 V381M130-L158 HydrophobicContact SD-CD2 3.39Å; M130-L158 WeakPolarHBondContact SD-CD2 3.46Å; K133-L158 HydrophobicContact CB-CD2 3.57Å; K133-L158 HydrophobicContact CB-CG 4.03Å; L134-L158 HydrophobicContact CB-CD2 4.24Å; L137-L158 HydrophobicContact CB-CD1 4.02Å; L137-L158 HydrophobicContact CD2-CD1 3.65Å; L137-L158 HydrophobicContact CG-CD1 4.47Å; A154-L158 WeakPolarHBondContact O-CG 3.28Å; A154-L158 PolarHBondContact O-N 3.46Å; A155-L158 WeakPolarHBondContact O-CB 3.37Å; A155-L158 PolarHBondContact O-N 3.27Å; R156-L158 VanDerWaalsContact C-N 3.3Å; R156-L158 PolarHBondContact O-N 3.11Å; L158-E160 PolarHBondContact O-N 3.25Å; L158-R161 CarbonylContact O-C 3.53Å; L158-R161 WeakPolarHBondContact O-CB 3.45Å; L158-R161 PolarHBondContact O-N 3.49Å; L158-R161 VanDerWaalsContact O-N 3.13Å; L158-T162 PolarHBondContact O-N 3.45Å; L158-T162 PolarHBondContact O-OG1 3.03Å; L158-V381 HydrophobicContact CB-CG2 3.59Å; L158-V381 HydrophobicContact CD1-CG2 3.8Å; L158-V381 HydrophobicContact CG-CG2 4.33Å
159G97.5Very high95Very high0 Ų026.6 Ų26.60%013%0.126CC..Hα-helixtrans-56.6-49.1179.100000113.5A155 R156 R161 T162 V163A155-G159 PolarHBondContact O-N 3.47Å; R156-G159 PolarHBondContact O-N 3.37Å; G159-R161 VanDerWaalsContact C-N 3.27Å; G159-R161 PolarHBondContact O-N 2.83Å; G159-T162 WeakPolarHBondContact O-CB 3.46Å; G159-T162 PolarHBondContact O-N 3.1Å; G159-T162 VanDerWaalsContact O-N 3.12Å; G159-V163 PolarHBondContact O-N 2.98Å
160E95.9Very high94.7Very high43 Ų4327.9 Ų27.920%0.20113%0.131CC..Hα-helixtrans-61.6-37.5176.9-173.7-179.4-142.800111.9R156 L158 T164 S326 F327R156-E160 PolarHBondContact O-N 3.5Å; L158-E160 PolarHBondContact O-N 3.25Å; E160-T164 PolarHBondContact O-N 3.29Å; E160-T164 VanDerWaalsContact O-N 3.07Å; E160-T164 PolarHBondContact O-OG1 3.12Å; E160-S326 PolarHBondContact OE1-OG 3.2Å; E160-F327 HydrophobicContact CB-CB 4.23Å; E160-F327 HydrophobicContact CB-CD1 3.82Å; E160-F327 HydrophobicContact CB-CD2 3.86Å; E160-F327 HydrophobicContact CB-CE1 4.16Å; E160-F327 HydrophobicContact CB-CE2 4.23Å; E160-F327 HydrophobicContact CB-CG 3.7Å; E160-F327 HydrophobicContact CB-CZ 4.39Å; E160-F327 HydrophobicContact CG-CB 4.02Å; E160-F327 HydrophobicContact CG-CD2 4.14Å; E160-F327 HydrophobicContact CG-CG 3.98Å; E160-F327 VanDerWaalsContact N-CZ 3.28Å
161R96Very high94.4Very high59 Ų5926.3 Ų26.322%0.22313%0.126CC..Hα-helixtrans-68.3-37.6176.2-176.962.3-163168.58.6111.6M130 K133 S157 L158 G159 T164 E165M130-R161 HydrophobicContact CE-CB 3.98Å; M130-R161 HydrophobicContact CE-CG 3.72Å; M130-R161 HydrophobicContact SD-CB 4.36Å; M130-R161 HydrophobicContact SD-CG 4.11Å; K133-R161 HydrophobicContact CD-CB 3.76Å; K133-R161 HydrophobicContact CD-CG 3.98Å; S157-R161 WeakPolarHBondContact O-CB 3.39Å; S157-R161 PolarHBondContact O-N 3.29Å; L158-R161 CarbonylContact O-C 3.53Å; L158-R161 WeakPolarHBondContact O-CB 3.45Å; L158-R161 PolarHBondContact O-N 3.49Å; L158-R161 VanDerWaalsContact O-N 3.13Å; G159-R161 VanDerWaalsContact C-N 3.27Å; G159-R161 PolarHBondContact O-N 2.83Å; R161-T164 WeakPolarHBondContact O-CB 3.39Å; R161-T164 PolarHBondContact O-N 2.94Å; R161-E165 IonicContact CZ-OE1 3.18Å; R161-E165 IonicContact NE-OE1 3.43Å; R161-E165 PolarHBondContact NE-OE1 2.73Å; R161-E165 IonicContact NH2-OE1 3.83Å; R161-E165 PolarHBondContact NH2-OE1 2.99Å; R161-E165 PolarHBondContact O-N 3.1Å
162T97.1Very high93.9Very high0 Ų029.3 Ų29.30%014%0.142CC..Hα-helixtrans-62.3-48.3176-710000110.8M130 L158 G159 T164 E165 L166 V384 L388M130-T162 WeakPolarHBondContact CE-OG1 3.34Å; L158-T162 PolarHBondContact O-N 3.45Å; L158-T162 PolarHBondContact O-OG1 3.03Å; G159-T162 WeakPolarHBondContact O-CB 3.46Å; G159-T162 PolarHBondContact O-N 3.1Å; G159-T162 VanDerWaalsContact O-N 3.12Å; T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 PolarHBondContact O-N 3.49Å; T162-E165 PolarHBondContact O-N 2.91Å; T162-E165 VanDerWaalsContact O-N 3.08Å; T162-L166 HydrophobicContact CG2-CD1 3.99Å; T162-L166 HydrophobicContact CG2-CG 4.26Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 3.27Å; T162-V384 HydrophobicContact CG2-CG1 3.49Å; T162-V384 VanDerWaalsContact CG2-CG1 3.49Å; T162-L388 HydrophobicContact CG2-CB 3.82Å; T162-L388 HydrophobicContact CG2-CD1 4.49Å; T162-L388 HydrophobicContact CG2-CD2 4.13Å; T162-L388 HydrophobicContact CG2-CG 4.37Å
163V95.8Very high93.4Very high0 Ų033.1 Ų33.10%017%0.167CC..Hα-helixtrans-57.5-43.8175.8174.50000111.3G159 E165 L166 I167 F327 S330 V331 L334 L354G159-V163 PolarHBondContact O-N 2.98Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 PolarHBondContact O-N 2.9Å; V163-L166 PolarHBondContact O-N 2.88Å; V163-I167 HydrophobicContact CG1-CD1 3.89Å; V163-I167 HydrophobicContact CG1-CG1 4.48Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 2.72Å; V163-F327 HydrophobicContact CG2-CE2 3.9Å; V163-S330 VanDerWaalsContact CG1-O 3.24Å; V163-S330 WeakPolarHBondContact CG1-O 3.42Å; V163-V331 HydrophobicContact CG2-CG2 4.16Å; V163-L334 HydrophobicContact CG1-CB 4.02Å; V163-L334 HydrophobicContact CG1-CD2 4.14Å; V163-L334 HydrophobicContact CG2-CD2 4.22Å; V163-L354 HydrophobicContact CG2-CD1 3.76Å; V163-L354 HydrophobicContact CG2-CD2 3.51Å; V163-L354 HydrophobicContact CG2-CG 4.2Å
164T93.3Very high93.1Very high25 Ų2536.9 Ų36.915%0.15319%0.189CC..Hα-helixtrans-60.6-39.5176.4-59.20000112.2E160 R161 T162 L168 R294E160-T164 PolarHBondContact O-N 3.29Å; E160-T164 VanDerWaalsContact O-N 3.07Å; E160-T164 PolarHBondContact O-OG1 3.12Å; R161-T164 WeakPolarHBondContact O-CB 3.39Å; R161-T164 PolarHBondContact O-N 2.94Å; T162-T164 VanDerWaalsContact C-N 3.28Å; T162-T164 PolarHBondContact O-N 3.49Å; T164-L168 HydrophobicContact CG2-CD1 4.16Å; T164-L168 WeakPolarHBondContact O-CB 3.44Å; T164-L168 WeakPolarHBondContact O-CD1 3.44Å; T164-L168 VanDerWaalsContact O-CG 3.24Å; T164-L168 WeakPolarHBondContact O-CG 3.48Å; T164-L168 PolarHBondContact O-N 2.94Å; T164-L168 VanDerWaalsContact O-N 3.1Å; T164-R294 PolarHBondContact OG1-NH1 2.82Å
165E93.7Very high92.7Very high13 Ų1341.5 Ų41.56%0.06121%0.208CC..Hα-helixtrans-73.9-37.4177.2-72.1-174.1-153.700112.9S127 R161 T162 V163 L168 Q169 L388S127-E165 WeakPolarHBondContact CB-OE1 3.39Å; S127-E165 WeakPolarHBondContact CB-OE2 3.41Å; S127-E165 PolarHBondContact OG-OE1 2.97Å; S127-E165 PolarHBondContact OG-OE2 3.37Å; R161-E165 IonicContact CZ-OE1 3.18Å; R161-E165 IonicContact NE-OE1 3.43Å; R161-E165 PolarHBondContact NE-OE1 2.73Å; R161-E165 IonicContact NH2-OE1 3.83Å; R161-E165 PolarHBondContact NH2-OE1 2.99Å; R161-E165 PolarHBondContact O-N 3.1Å; T162-E165 PolarHBondContact O-N 2.91Å; T162-E165 VanDerWaalsContact O-N 3.08Å; V163-E165 VanDerWaalsContact C-N 3.32Å; V163-E165 PolarHBondContact O-N 2.9Å; E165-L168 PolarHBondContact O-N 3.08Å; E165-Q169 WeakPolarHBondContact O-CG 3.38Å; E165-Q169 PolarHBondContact O-N 3.26Å; E165-L388 HydrophobicContact CB-CD1 4.06Å; E165-L388 HydrophobicContact CB-CD2 4.39Å
166L93.8Very high92.5Very high0 Ų041.9 Ų41.90%021%0.211CC..Hα-helixtrans-62.3-43.2172.9-68.8176.4000111.8T162 V163 Q169 H170 L334 L347 L350 L388 F391T162-L166 HydrophobicContact CG2-CD1 3.99Å; T162-L166 HydrophobicContact CG2-CG 4.26Å; T162-L166 WeakPolarHBondContact O-CG 3.43Å; T162-L166 PolarHBondContact O-N 3.27Å; V163-L166 PolarHBondContact O-N 2.88Å; L166-Q169 PolarHBondContact O-N 2.84Å; L166-H170 PolarHBondContact O-N 3.41Å; L166-H170 PolarHBondContact O-ND1 3.13Å; L166-L334 HydrophobicContact CB-CD1 3.78Å; L166-L334 HydrophobicContact CB-CD2 4.15Å; L166-L334 HydrophobicContact CD1-CD2 3.79Å; L166-L347 HydrophobicContact CD1-CD2 4.22Å; L166-L347 HydrophobicContact CD2-CD1 3.95Å; L166-L347 HydrophobicContact CD2-CD2 4.06Å; L166-L350 HydrophobicContact CD1-CD1 4.33Å; L166-L388 HydrophobicContact CD2-CD1 3.61Å; L166-L388 HydrophobicContact CG-CD1 3.94Å; L166-F391 HydrophobicContact CD2-CB 4.36Å; L166-F391 HydrophobicContact CD2-CD1 3.71Å; L166-F391 HydrophobicContact CD2-CE1 4.32Å; L166-F391 HydrophobicContact CD2-CG 4.16Å
167I92.3Very high92.4Very high1 Ų142.8 Ų42.81%0.00522%0.222CC..Hα-helixtrans-61.8-45.2174.4-66.8168000110.3V163 Q169 H170 Q171 R294 E333 L334V163-I167 HydrophobicContact CG1-CD1 3.89Å; V163-I167 HydrophobicContact CG1-CG1 4.48Å; V163-I167 WeakPolarHBondContact O-CG1 3.42Å; V163-I167 PolarHBondContact O-N 2.72Å; I167-Q169 PolarHBondContact O-N 3.43Å; I167-H170 PolarHBondContact O-N 3.2Å; I167-Q171 WeakPolarHBondContact O-CB 3.38Å; I167-Q171 PolarHBondContact O-N 3.15Å; I167-Q171 VanDerWaalsContact O-N 3.1Å; I167-R294 HydrophobicContact CB-CG 4.41Å; I167-R294 HydrophobicContact CG2-CG 3.72Å; I167-E333 HydrophobicContact CD1-CB 4.03Å; I167-L334 HydrophobicContact CD1-CB 4.25Å; I167-L334 HydrophobicContact CG1-CB 4.02Å; I167-L334 HydrophobicContact CG1-CD1 4.1Å
168L90.4Very high92.4Very high68 Ų6843.4 Ų43.436%0.35623%0.23SC..Hα-helixtrans-62.8-36.2179.7-76.6168.9000113.5T164 E165 H170 Q171 R294T164-L168 HydrophobicContact CG2-CD1 4.16Å; T164-L168 WeakPolarHBondContact O-CB 3.44Å; T164-L168 WeakPolarHBondContact O-CD1 3.44Å; T164-L168 VanDerWaalsContact O-CG 3.24Å; T164-L168 WeakPolarHBondContact O-CG 3.48Å; T164-L168 PolarHBondContact O-N 2.94Å; T164-L168 VanDerWaalsContact O-N 3.1Å; E165-L168 PolarHBondContact O-N 3.08Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 2.96Å; L168-Q171 PolarHBondContact O-N 3.19Å; L168-R294 HydrophobicContact CD2-CB 3.86Å; L168-R294 HydrophobicContact CG-CB 4.28Å
169Q88.9Confident92.2Very high78 Ų7846.6 Ų46.636%0.36425%0.247SC..Hα-helixtrans-67.7-30176-68.7-71.9-33.900112.9E165 L166 I167 F391 S396E165-Q169 WeakPolarHBondContact O-CG 3.38Å; E165-Q169 PolarHBondContact O-N 3.26Å; L166-Q169 PolarHBondContact O-N 2.84Å; I167-Q169 PolarHBondContact O-N 3.43Å; Q169-F391 HydrophobicContact CB-CE1 3.73Å; Q169-F391 HydrophobicContact CG-CE1 4.24Å; Q169-S396 PolarHBondContact OE1-OG 3Å
170H87.9Confident92.2Very high44 Ų4446.6 Ų46.620%0.20425%0.247CC..Hα-helixtrans-85.8-11.3176-68.998000113.5L166 I167 L168 V337 F391L166-H170 PolarHBondContact O-N 3.41Å; L166-H170 PolarHBondContact O-ND1 3.13Å; I167-H170 PolarHBondContact O-N 3.2Å; L168-H170 VanDerWaalsContact C-N 3.31Å; L168-H170 PolarHBondContact O-N 2.96Å; H170-V337 HydrophobicContact CB-CG1 3.4Å; H170-F391 AromaticContact CE1-CE1 3.85Å; H170-F391 AromaticContact CE1-CZ 3.34Å; H170-F391 WeakPolarHBondContact CE1-CZ 3.45Å; H170-F391 AromaticContact NE2-CZ 3.49Å; H170-F391 WeakPolarHBondContact NE2-CZ 3.5Å
171Q88.4Confident92.3Very high29 Ų2947.1 Ų47.114%0.13625%0.247CC..SBendtrans-89.7112.2-175.1-173.9-177.1-99.900111.8I167 L168 P173 L176 R294I167-Q171 WeakPolarHBondContact O-CB 3.38Å; I167-Q171 PolarHBondContact O-N 3.15Å; I167-Q171 VanDerWaalsContact O-N 3.1Å; L168-Q171 PolarHBondContact O-N 3.19Å; Q171-P173 VanDerWaalsContact O-CD 3.24Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å; Q171-L176 HydrophobicContact CG-CD1 4.09Å; Q171-R294 PolarHBondContact NE2-O 3.29Å; Q171-R294 PolarHBondContact OE1-O 3.16Å
172N86.3Confident92.3Very high64 Ų6446.4 Ų46.434%0.34225%0.254SS..  trans-65.2113.2176-178.1-12.8000111.6Q174 Q175 L176N172-Q174 VanDerWaalsContact C-N 3.31Å; N172-Q174 PolarHBondContact O-N 3.17Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.43Å; N172-Q174 PolarHBondContact OD1-N 3.13Å; N172-Q175 HydrophobicContact CB-CB 4.45Å; N172-Q175 PolarHBondContact ND2-OE1 3.25Å; N172-Q175 PolarHBondContact O-N 2.89Å; N172-L176 PolarHBondContact O-N 3.37Å
173P86.1Confident92.3Very high96 Ų9647 Ų4762%0.62326%0.258SS*.THydrogen-bonded Turntrans-69.5-26.7-176.629.1-35.4000113.1Q171 Q175 L176Q171-P173 VanDerWaalsContact O-CD 3.24Å; Q171-P173 WeakPolarHBondContact O-CD 3.28Å; P173-Q175 VanDerWaalsContact C-N 3.3Å; P173-Q175 PolarHBondContact O-N 2.93Å; P173-L176 WeakPolarHBondContact O-CB 3.36Å
174Q87.1Confident92.4Very high166 Ų16647 Ų4778%0.77626%0.259SS*.THydrogen-bonded Turntrans-71.8-26.2-179.6-58.1-178.70.100112.4N172N172-Q174 VanDerWaalsContact C-N 3.31Å; N172-Q174 PolarHBondContact O-N 3.17Å; N172-Q174 WeakPolarHBondContact OD1-CB 3.43Å; N172-Q174 PolarHBondContact OD1-N 3.13Å
175Q89.3Confident92.7Very high107 Ų10752.8 Ų52.850%0.528%0.278SS..THydrogen-bonded Turntrans-102.2-4-178.9-67.7179.2-16.600113.2N172 P173 S177 A178 N179N172-Q175 HydrophobicContact CB-CB 4.45Å; N172-Q175 PolarHBondContact ND2-OE1 3.25Å; N172-Q175 PolarHBondContact O-N 2.89Å; P173-Q175 VanDerWaalsContact C-N 3.3Å; P173-Q175 PolarHBondContact O-N 2.93Å; Q175-S177 PolarHBondContact O-N 2.98Å; Q175-A178 WeakPolarHBondContact O-CB 3.37Å; Q175-A178 PolarHBondContact O-N 2.71Å; Q175-A178 VanDerWaalsContact O-N 3.1Å; Q175-N179 WeakPolarHBondContact O-CB 3.27Å; Q175-N179 VanDerWaalsContact O-CG 3.26Å; Q175-N179 PolarHBondContact O-N 3.37Å; Q175-N179 PolarHBondContact O-ND2 2.77Å
176L92.3Very high92.9Very high9 Ų956.3 Ų56.35%0.04731%0.309CS..Hα-helixtrans-54.9-47.3-172-176.352.9000113.6Q171 N172 P173 N179 L180 L293 I295Q171-L176 HydrophobicContact CG-CD1 4.09Å; N172-L176 PolarHBondContact O-N 3.37Å; P173-L176 WeakPolarHBondContact O-CB 3.36Å; L176-N179 PolarHBondContact O-N 2.63Å; L176-L180 WeakPolarHBondContact O-CB 3.42Å; L176-L180 PolarHBondContact O-N 3.12Å; L176-L293 HydrophobicContact CD1-CB 4.3Å; L176-L293 HydrophobicContact CD1-CD2 4.09Å; L176-I295 HydrophobicContact CD1-CD1 4.13Å; L176-I295 HydrophobicContact CD1-CG1 3.77Å; L176-I295 HydrophobicContact CD2-CG1 4.09Å; L176-I295 HydrophobicContact CG-CD1 4.33Å; L176-I295 HydrophobicContact CG-CG1 4.01Å
177S94.2Very high93Very high54 Ų5459 Ų5938%0.37832%0.319SS..Hα-helixtrans-69.5-37177.757.50000112.8Q175 L180 W181Q175-S177 PolarHBondContact O-N 2.98Å; S177-L180 PolarHBondContact O-N 2.79Å; S177-W181 PolarHBondContact O-N 3.18Å
178A95.4Very high93.3Very high55 Ų5560.4 Ų60.446%0.45533%0.334SS..Hα-helixtrans-64.9-41.9175.600000111.5Q175 W181 A182Q175-A178 WeakPolarHBondContact O-CB 3.37Å; Q175-A178 PolarHBondContact O-N 2.71Å; Q175-A178 VanDerWaalsContact O-N 3.1Å; A178-W181 PolarHBondContact O-N 3.22Å; A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 2.77Å
179N94.8Very high93.7Very high68 Ų6857.1 Ų57.136%0.36432%0.317SS..Hα-helixtrans-66.1-43.5176.6-68.5-18.3000111.7Q175 L176 A182 A183 L293Q175-N179 WeakPolarHBondContact O-CB 3.27Å; Q175-N179 VanDerWaalsContact O-CG 3.26Å; Q175-N179 PolarHBondContact O-N 3.37Å; Q175-N179 PolarHBondContact O-ND2 2.77Å; L176-N179 PolarHBondContact O-N 2.63Å; N179-A182 PolarHBondContact O-N 2.88Å; N179-A183 WeakPolarHBondContact O-CB 3.49Å; N179-A183 PolarHBondContact O-N 2.54Å; N179-L293 HydrophobicContact CB-CD1 4.1Å; N179-L293 HydrophobicContact CB-CD2 4.18Å
180L97.1Very high94.1Very high0 Ų056 Ų560%031%0.311CS..Hα-helixtrans-55.3-54.9172.8172.364.1000111.1L176 S177 A182 A183 V184 I284 A288 L293 I295 W300 L303L176-L180 WeakPolarHBondContact O-CB 3.42Å; L176-L180 PolarHBondContact O-N 3.12Å; S177-L180 PolarHBondContact O-N 2.79Å; L180-A182 VanDerWaalsContact C-N 3.25Å; L180-A182 PolarHBondContact O-N 3.11Å; L180-A183 PolarHBondContact O-N 3.43Å; L180-A183 VanDerWaalsContact O-N 3.12Å; L180-V184 HydrophobicContact CD1-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 3.02Å; L180-I284 HydrophobicContact CD1-CG2 4.23Å; L180-A288 HydrophobicContact CD1-CB 3.81Å; L180-L293 HydrophobicContact CB-CD1 4.15Å; L180-I295 HydrophobicContact CB-CD1 4.36Å; L180-I295 HydrophobicContact CD1-CD1 4.37Å; L180-I295 HydrophobicContact CD2-CD1 4.03Å; L180-I295 HydrophobicContact CG-CD1 4.49Å; L180-W300 HydrophobicContact CD1-CH2 3.78Å; L180-W300 HydrophobicContact CD1-CZ3 4.29Å; L180-W300 HydrophobicContact CD2-CH2 4.01Å; L180-W300 HydrophobicContact CD2-CZ3 3.78Å; L180-L303 HydrophobicContact CD2-CD1 3.91Å
181W97.8Very high94.6Very high53 Ų5355.1 Ų55.120%0.20131%0.307CS..Hα-helixtrans-69.7-23.8-177.3-57134.6000112.9S177 A178 V184 R185 F191 I284 L303 L304S177-W181 PolarHBondContact O-N 3.18Å; A178-W181 PolarHBondContact O-N 3.22Å; W181-V184 HydrophobicContact CE3-CB 4.47Å; W181-V184 HydrophobicContact CE3-CG2 4.2Å; W181-V184 HydrophobicContact CZ3-CG2 4.46Å; W181-R185 WeakPolarHBondContact O-CB 3.49Å; W181-R185 VanDerWaalsContact O-CG 3.31Å; W181-R185 WeakPolarHBondContact O-CG 3.42Å; W181-R185 PolarHBondContact O-N 2.99Å; W181-R185 VanDerWaalsContact O-N 3.11Å; W181-R185 PolarHBondContact O-NE 2.96Å; W181-R185 PolarHBondContact O-NH1 3.24Å; W181-F191 HydrophobicContact CE3-CB 4.1Å; W181-F191 HydrophobicContact CH2-CB 3.94Å; W181-F191 AromaticContact CH2-CD1 3.33Å; W181-F191 HydrophobicContact CH2-CD1 3.33Å; W181-F191 AromaticContact CH2-CE1 3.95Å; W181-F191 HydrophobicContact CH2-CE1 3.95Å; W181-F191 AromaticContact CH2-CG 3.73Å; W181-F191 HydrophobicContact CH2-CG 3.73Å; W181-F191 AromaticContact CZ2-CD1 3.73Å; W181-F191 HydrophobicContact CZ2-CD1 3.73Å; W181-F191 HydrophobicContact CZ2-CE1 4.17Å; W181-F191 HydrophobicContact CZ3-CB 3.51Å; W181-F191 AromaticContact CZ3-CD1 3.85Å; W181-F191 HydrophobicContact CZ3-CD1 3.85Å; W181-F191 AromaticContact CZ3-CG 3.85Å; W181-F191 HydrophobicContact CZ3-CG 3.85Å; W181-I284 HydrophobicContact CZ3-CG2 4.31Å; W181-L303 HydrophobicContact CZ2-CB 4.26Å; W181-L303 HydrophobicContact CZ2-CD2 4.01Å; W181-L304 HydrophobicContact CH2-CD2 3.97Å
182A97.3Very high95Very high44 Ų4455.3 Ų55.336%0.36431%0.309SS..Hα-helixtrans-68.3-46167.800000111.8A178 N179 L180 V184 R185 A186A178-A182 WeakPolarHBondContact O-CB 3.46Å; A178-A182 PolarHBondContact O-N 2.77Å; N179-A182 PolarHBondContact O-N 2.88Å; L180-A182 VanDerWaalsContact C-N 3.25Å; L180-A182 PolarHBondContact O-N 3.11Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 3.04Å; A182-R185 PolarHBondContact O-N 2.86Å; A182-A186 WeakPolarHBondContact O-CB 3.45Å; A182-A186 PolarHBondContact O-N 3.46Å
183A96.7Very high95.5Very high12 Ų1253.4 Ų53.410%0.09930%0.304CS..Hα-helixtrans-62.9-35.9177.800000113.1N179 L180 R187 I287 A291N179-A183 WeakPolarHBondContact O-CB 3.49Å; N179-A183 PolarHBondContact O-N 2.54Å; L180-A183 PolarHBondContact O-N 3.43Å; L180-A183 VanDerWaalsContact O-N 3.12Å; A183-R187 PolarHBondContact O-NH1 3.31Å; A183-I287 HydrophobicContact CB-CG2 4.19Å; A183-A291 HydrophobicContact CB-CB 3.72Å
184V98.3Very high96.1Very high2 Ų250.7 Ų50.71%0.01229%0.287CS..Hα-helixtrans-66.8-49.7172.6172.80000111L180 W181 A182 A186 R187 C189 I284 I287L180-V184 HydrophobicContact CD1-CG2 4.28Å; L180-V184 WeakPolarHBondContact O-CG2 3.47Å; L180-V184 PolarHBondContact O-N 3.02Å; W181-V184 HydrophobicContact CE3-CB 4.47Å; W181-V184 HydrophobicContact CE3-CG2 4.2Å; W181-V184 HydrophobicContact CZ3-CG2 4.46Å; A182-V184 VanDerWaalsContact C-N 3.33Å; A182-V184 PolarHBondContact O-N 3.04Å; V184-A186 PolarHBondContact O-N 3.12Å; V184-R187 PolarHBondContact O-N 3.44Å; V184-R187 VanDerWaalsContact O-N 3.13Å; V184-C189 CarbonylContact C-O 3.59Å; V184-C189 HydrophobicContact CG1-CB 3.83Å; V184-C189 WeakPolarHBondContact O-CB 3.48Å; V184-C189 PolarHBondContact O-N 3.03Å; V184-I284 HydrophobicContact CG2-CG2 4.22Å; V184-I287 HydrophobicContact CG2-CG2 3.77Å
185R98.2Very high96.6Very high146 Ų14645.4 Ų45.455%0.55127%0.271SS*.Hα-helixtrans-63.6-37.2178.1-74.2-174.9-57.7-93.7-3.3113.3W181 A182 R187 G188 C189W181-R185 WeakPolarHBondContact O-CB 3.49Å; W181-R185 VanDerWaalsContact O-CG 3.31Å; W181-R185 WeakPolarHBondContact O-CG 3.42Å; W181-R185 PolarHBondContact O-N 2.99Å; W181-R185 VanDerWaalsContact O-N 3.11Å; W181-R185 PolarHBondContact O-NE 2.96Å; W181-R185 PolarHBondContact O-NH1 3.24Å; A182-R185 PolarHBondContact O-N 2.86Å; R185-R187 PolarHBondContact O-N 2.61Å; R185-R187 VanDerWaalsContact O-N 3.11Å; R185-G188 PolarHBondContact O-N 2.81Å; R185-C189 WeakPolarHBondContact CA-O 3.13Å
186A97.8Very high96.9Very high86 Ų8640.7 Ų40.771%0.71125%0.249SC*.THydrogen-bonded Turntrans-60.4-19.9176.400000113.4A182 V184A182-A186 WeakPolarHBondContact O-CB 3.45Å; A182-A186 PolarHBondContact O-N 3.46Å; V184-A186 PolarHBondContact O-N 3.12Å
187R97.7Very high97.2Very high57 Ų5740.2 Ų40.222%0.21525%0.247CC..THydrogen-bonded Turntrans-97.114.3176.7-68.5168.4174.270.7-1.4113.4A183 V184 R185 C189 E290A183-R187 PolarHBondContact O-NH1 3.31Å; V184-R187 PolarHBondContact O-N 3.44Å; V184-R187 VanDerWaalsContact O-N 3.13Å; R185-R187 PolarHBondContact O-N 2.61Å; R185-R187 VanDerWaalsContact O-N 3.11Å; R187-C189 PolarHBondContact O-N 3.15Å; R187-C189 PolarHBondContact O-SG 2.66Å; R187-E290 IonicContact CZ-OE2 2.74Å; R187-E290 IonicContact NE-OE2 3.4Å; R187-E290 PolarHBondContact NE-OE2 3.03Å; R187-E290 IonicContact NH2-OE2 2.77Å; R187-E290 PolarHBondContact NH2-OE2 3.16Å
188G97.6Very high97.4Very high30 Ų3041 Ų4131%0.30924%0.244SC..THydrogen-bonded Turntrans67.219.5-175.800000113.8R185 H241 Q244R185-G188 PolarHBondContact O-N 2.81Å; G188-H241 PolarHBondContact O-CD2 3.23Å; G188-Q244 WeakPolarHBondContact O-CB 3.42Å; G188-Q244 WeakPolarHBondContact O-CG 3.21Å
189C98.6Very high97.6Very high0 Ų039.7 Ų39.70%023%0.23CC..  trans-110.9160-174.8-63.20000111V184 R185 R187 H241 L245 R248V184-C189 CarbonylContact C-O 3.59Å; V184-C189 HydrophobicContact CG1-CB 3.83Å; V184-C189 WeakPolarHBondContact O-CB 3.48Å; V184-C189 PolarHBondContact O-N 3.03Å; R185-C189 WeakPolarHBondContact CA-O 3.13Å; R187-C189 PolarHBondContact O-N 3.15Å; R187-C189 PolarHBondContact O-SG 2.66Å; C189-H241 WeakPolarHBondContact CA-O 3.36Å; C189-L245 HydrophobicContact CB-CB 4Å; C189-L245 HydrophobicContact CB-CD1 4.04Å; C189-R248 VanDerWaalsContact SG-CD 3.52Å
190Q97.6Very high97.7Very high54 Ų5436.5 Ų36.525%0.25221%0.213SC..  trans-150141.8179.9-169166.9-1700111.9L192 Q197 H241Q190-L192 HydrophobicContact CG-CD2 3.96Å; Q190-Q197 PolarHBondContact O-NE2 3.25Å; Q190-H241 HydrophobicContact CB-CB 3.4Å; Q190-H241 PolarHBondContact N-O 3.46Å; Q190-H241 PolarHBondContact OE1-ND1 3.39Å
191F98.4Very high97.8Very high26 Ų2636.5 Ų36.511%0.11421%0.213CC..  trans-110133.4165.4179.7-105.8000108.1W181 G193 P194 Q197 I284 L303 L304W181-F191 HydrophobicContact CE3-CB 4.1Å; W181-F191 HydrophobicContact CH2-CB 3.94Å; W181-F191 AromaticContact CH2-CD1 3.33Å; W181-F191 HydrophobicContact CH2-CD1 3.33Å; W181-F191 AromaticContact CH2-CE1 3.95Å; W181-F191 HydrophobicContact CH2-CE1 3.95Å; W181-F191 AromaticContact CH2-CG 3.73Å; W181-F191 HydrophobicContact CH2-CG 3.73Å; W181-F191 AromaticContact CZ2-CD1 3.73Å; W181-F191 HydrophobicContact CZ2-CD1 3.73Å; W181-F191 HydrophobicContact CZ2-CE1 4.17Å; W181-F191 HydrophobicContact CZ3-CB 3.51Å; W181-F191 AromaticContact CZ3-CD1 3.85Å; W181-F191 HydrophobicContact CZ3-CD1 3.85Å; W181-F191 AromaticContact CZ3-CG 3.85Å; W181-F191 HydrophobicContact CZ3-CG 3.85Å; F191-G193 VanDerWaalsContact CE1-CA 3.44Å; F191-P194 HydrophobicContact CZ-CG 4.24Å; F191-Q197 HydrophobicContact CD2-CB 3.99Å; F191-Q197 HydrophobicContact CD2-CG 3.64Å; F191-Q197 HydrophobicContact CE2-CB 3.68Å; F191-Q197 HydrophobicContact CE2-CG 3.71Å; F191-Q197 HydrophobicContact CZ-CB 4.45Å; F191-I284 HydrophobicContact CB-CD1 4.5Å; F191-I284 HydrophobicContact CD2-CD1 4.14Å; F191-L303 VanDerWaalsContact CE1-O 3.22Å; F191-L303 WeakPolarHBondContact CE1-O 3.48Å; F191-L304 HydrophobicContact CD2-CD2 4.14Å; F191-L304 HydrophobicContact CE2-CD2 3.92Å; F191-L304 HydrophobicContact CZ-CD2 4.12Å
192L97.5Very high97.8Very high32 Ų3237.9 Ų37.917%0.16822%0.22CC..  trans-98.51.7-170.4-58.5175000113.8Q190 M196 Q197 A200 I239 V242Q190-L192 HydrophobicContact CG-CD2 3.96Å; L192-M196 HydrophobicContact CB-CB 3.96Å; L192-M196 HydrophobicContact CB-CG 3.89Å; L192-M196 HydrophobicContact CB-SD 3.93Å; L192-M196 HydrophobicContact CD1-CE 4.17Å; L192-M196 HydrophobicContact CD1-CG 4.07Å; L192-M196 HydrophobicContact CD1-SD 4.26Å; L192-Q197 VanDerWaalsContact CG-OE1 3.24Å; L192-A200 HydrophobicContact CD1-CB 4.43Å; L192-I239 HydrophobicContact CD1-CD1 3.76Å; L192-V242 HydrophobicContact CD1-CG2 3.7Å; L192-V242 HydrophobicContact CG-CG2 3.92Å
193G96.7Very high97.9Very high24 Ų2437 Ų3725%0.24721%0.209CC..  trans91.9150.9-166.600000111.3F191 A195 M196 Q197F191-G193 VanDerWaalsContact CE1-CA 3.44Å; G193-A195 PolarHBondContact O-N 3.42Å; G193-M196 PolarHBondContact O-N 3.06Å; G193-Q197 WeakPolarHBondContact O-CB 3.39Å; G193-Q197 PolarHBondContact O-N 3.21Å
194P97.6Very high98Very high40 Ų4036.4 Ų36.426%0.2621%0.205SC..Hα-helixtrans-48.7-60.6-163.4-31.936.1000115.6F191 M196 Q197 E198 Y305F191-P194 HydrophobicContact CZ-CG 4.24Å; P194-M196 PolarHBondContact O-N 3.41Å; P194-Q197 PolarHBondContact O-N 3.49Å; P194-E198 WeakPolarHBondContact O-CB 3.36Å; P194-E198 PolarHBondContact O-N 3.37Å; P194-Y305 VanDerWaalsContact CB-O 3.31Å; P194-Y305 WeakPolarHBondContact CB-O 3.45Å; P194-Y305 VanDerWaalsContact CG-C 3.41Å; P194-Y305 WeakPolarHBondContact CG-O 3.24Å
195A97Very high97.9Very high54 Ų5437 Ų3745%0.44621%0.208SC..Hα-helixtrans-63.8-40.1-175.800000113.3G193 E198 D199 F231G193-A195 PolarHBondContact O-N 3.42Å; A195-E198 PolarHBondContact O-N 3.43Å; A195-D199 PolarHBondContact O-N 3.28Å; A195-F231 HydrophobicContact CB-CZ 4.48Å
196M97.6Very high97.9Very high8 Ų834.2 Ų34.24%0.03920%0.203CC..Hα-helixtrans-72.9-32.1-179.8-169.3178.7-17800111.7L192 G193 P194 A200 L227 F231 Q233 A234L192-M196 HydrophobicContact CB-CB 3.96Å; L192-M196 HydrophobicContact CB-CG 3.89Å; L192-M196 HydrophobicContact CB-SD 3.93Å; L192-M196 HydrophobicContact CD1-CE 4.17Å; L192-M196 HydrophobicContact CD1-CG 4.07Å; L192-M196 HydrophobicContact CD1-SD 4.26Å; G193-M196 PolarHBondContact O-N 3.06Å; P194-M196 PolarHBondContact O-N 3.41Å; M196-A200 VanDerWaalsContact O-CB 3.22Å; M196-A200 WeakPolarHBondContact O-CB 3.43Å; M196-A200 PolarHBondContact O-N 3.34Å; M196-A200 VanDerWaalsContact O-N 3.07Å; M196-L227 HydrophobicContact CE-CD2 3.69Å; M196-L227 HydrophobicContact CE-CG 4.42Å; M196-L227 HydrophobicContact CG-CD2 4.12Å; M196-F231 HydrophobicContact CB-CD1 4.04Å; M196-F231 HydrophobicContact CB-CE1 3.95Å; M196-F231 HydrophobicContact CB-CG 4.37Å; M196-F231 HydrophobicContact CB-CZ 4.2Å; M196-F231 HydrophobicContact CE-CB 3.72Å; M196-F231 HydrophobicContact CE-CG 4.39Å; M196-F231 HydrophobicContact CG-CB 4.21Å; M196-F231 HydrophobicContact CG-CD1 4Å; M196-F231 HydrophobicContact CG-CD2 4.14Å; M196-F231 HydrophobicContact CG-CE1 4.35Å; M196-F231 HydrophobicContact CG-CE2 4.48Å; M196-F231 HydrophobicContact CG-CG 3.86Å; M196-F231 HydrophobicContact SD-CB 3.99Å; M196-F231 HydrophobicContact SD-CD1 4.28Å; M196-F231 HydrophobicContact SD-CG 4.2Å; M196-Q233 HydrophobicContact CE-CG 4.07Å; M196-Q233 HydrophobicContact SD-CG 3.88Å; M196-Q233 PolarHBondContact SD-NE2 3.36Å; M196-Q233 VanDerWaalsContact SD-NE2 3.4Å; M196-A234 HydrophobicContact CE-CB 3.7Å
197Q98.3Very high97.9Very high0 Ų030.5 Ų30.50%017%0.172CC..Hα-helixtrans-70-44173.3-159.278.4-1.100111.1Q190 F191 L192 G193 P194 A200 L201 H280Q190-Q197 PolarHBondContact O-NE2 3.25Å; F191-Q197 HydrophobicContact CD2-CB 3.99Å; F191-Q197 HydrophobicContact CD2-CG 3.64Å; F191-Q197 HydrophobicContact CE2-CB 3.68Å; F191-Q197 HydrophobicContact CE2-CG 3.71Å; F191-Q197 HydrophobicContact CZ-CB 4.45Å; L192-Q197 VanDerWaalsContact CG-OE1 3.24Å; G193-Q197 WeakPolarHBondContact O-CB 3.39Å; G193-Q197 PolarHBondContact O-N 3.21Å; P194-Q197 PolarHBondContact O-N 3.49Å; Q197-A200 PolarHBondContact O-N 3.04Å; Q197-L201 HydrophobicContact CG-CD1 4.43Å; Q197-L201 WeakPolarHBondContact O-CB 3.45Å; Q197-L201 VanDerWaalsContact O-CG 3.31Å; Q197-L201 WeakPolarHBondContact O-CG 3.48Å; Q197-L201 PolarHBondContact O-N 2.63Å; Q197-H280 PolarHBondContact NE2-NE2 3.05Å
198E98.3Very high97.9Very high69 Ų6927.8 Ų27.832%0.32216%0.162SC..Hα-helixtrans-57.4-52.1176.3170.4175.517400111.8P194 A195 A200 L201 K202 Y273P194-E198 WeakPolarHBondContact O-CB 3.36Å; P194-E198 PolarHBondContact O-N 3.37Å; A195-E198 PolarHBondContact O-N 3.43Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 3.49Å; E198-L201 PolarHBondContact O-N 2.93Å; E198-K202 HydrophobicContact CG-CD 4.04Å; E198-K202 WeakPolarHBondContact O-CG 3.37Å; E198-K202 PolarHBondContact O-N 3.25Å; E198-K202 IonicContact OE1-NZ 3.76Å; E198-K202 PolarHBondContact OE1-NZ 3.45Å; E198-Y273 HydrophobicContact CG-CE2 4.17Å; E198-Y273 WeakPolarHBondContact CG-OH 3.43Å
199D97.9Very high97.9Very high28 Ų2830.7 Ų30.715%0.1517%0.167CC..Hα-helixtrans-63.1-38177.5-78.1-53.5000111.9A195 K202 L203 L227 R230 F231A195-D199 PolarHBondContact O-N 3.28Å; D199-K202 PolarHBondContact O-N 2.65Å; D199-L203 WeakPolarHBondContact O-CB 3.47Å; D199-L203 VanDerWaalsContact O-CG 3.27Å; D199-L203 WeakPolarHBondContact O-CG 3.29Å; D199-L203 PolarHBondContact O-N 3.25Å; D199-L227 HydrophobicContact CB-CD1 3.62Å; D199-R230 IonicContact OD1-CZ 2.93Å; D199-R230 IonicContact OD1-NH1 3.15Å; D199-R230 PolarHBondContact OD1-NH1 3.1Å; D199-R230 IonicContact OD1-NH2 3.11Å; D199-R230 IonicContact OD2-CZ 2.89Å; D199-R230 IonicContact OD2-NH1 3.82Å; D199-R230 PolarHBondContact OD2-NH1 2.86Å; D199-R230 IonicContact OD2-NH2 3.89Å; D199-R230 PolarHBondContact OD2-NH2 2.76Å; D199-F231 HydrophobicContact CB-CE2 4.03Å; D199-F231 VanDerWaalsContact OD2-CE2 3.3Å; D199-F231 WeakPolarHBondContact OD2-CE2 3.43Å; D199-F231 WeakPolarHBondContact OD2-CZ 3.01Å
200A98.3Very high97.8Very high1 Ų135.9 Ų35.91%0.00820%0.195CC..Hα-helixtrans-64.8-41.4175.400000112.7L192 M196 Q197 E198 L203 V204 V223 L227 I239L192-A200 HydrophobicContact CD1-CB 4.43Å; M196-A200 VanDerWaalsContact O-CB 3.22Å; M196-A200 WeakPolarHBondContact O-CB 3.43Å; M196-A200 PolarHBondContact O-N 3.34Å; M196-A200 VanDerWaalsContact O-N 3.07Å; Q197-A200 PolarHBondContact O-N 3.04Å; E198-A200 VanDerWaalsContact C-N 3.33Å; E198-A200 PolarHBondContact O-N 3.49Å; A200-L203 PolarHBondContact O-N 3.04Å; A200-V204 WeakPolarHBondContact O-CG2 3.2Å; A200-V204 PolarHBondContact O-N 3.05Å; A200-V223 HydrophobicContact CB-CG1 4.45Å; A200-L227 HydrophobicContact CB-CD2 4.12Å; A200-I239 HydrophobicContact CB-CD1 4.18Å
201L98.6Very high97.6Very high0 Ų033.9 Ų33.90%019%0.19CC..Hα-helixtrans-67.3-40.8176.2-69.9177.1000111.7Q197 E198 L203 V204 L205 V242 L246 Y273 H280Q197-L201 HydrophobicContact CG-CD1 4.43Å; Q197-L201 WeakPolarHBondContact O-CB 3.45Å; Q197-L201 VanDerWaalsContact O-CG 3.31Å; Q197-L201 WeakPolarHBondContact O-CG 3.48Å; Q197-L201 PolarHBondContact O-N 2.63Å; E198-L201 PolarHBondContact O-N 2.93Å; L201-L203 VanDerWaalsContact C-N 3.29Å; L201-L203 PolarHBondContact O-N 2.99Å; L201-V204 PolarHBondContact O-N 3.02Å; L201-L205 PolarHBondContact O-N 3.46Å; L201-V242 HydrophobicContact CD2-CG1 4.36Å; L201-L246 HydrophobicContact CD2-CD1 3.79Å; L201-L246 HydrophobicContact CD2-CD2 3.88Å; L201-L246 HydrophobicContact CD2-CG 4.14Å; L201-Y273 HydrophobicContact CB-CE2 4.16Å; L201-H280 HydrophobicContact CD1-CB 4.28Å
202K98.4Very high97.6Very high83 Ų8334.8 Ų34.836%0.36120%0.199SC..Hα-helixtrans-61.8-36.2173.6-73.2173.5174.4177.20112.1E198 D199 L205 L206 Y273E198-K202 HydrophobicContact CG-CD 4.04Å; E198-K202 WeakPolarHBondContact O-CG 3.37Å; E198-K202 PolarHBondContact O-N 3.25Å; E198-K202 IonicContact OE1-NZ 3.76Å; E198-K202 PolarHBondContact OE1-NZ 3.45Å; D199-K202 PolarHBondContact O-N 2.65Å; K202-L205 PolarHBondContact O-N 3.48Å; K202-L206 WeakPolarHBondContact O-CB 3.46Å; K202-L206 PolarHBondContact O-N 3.19Å; K202-Y273 HydrophobicContact CD-CD2 4.35Å; K202-Y273 HydrophobicContact CD-CE2 4.41Å; K202-Y273 HydrophobicContact CG-CD2 3.55Å; K202-Y273 HydrophobicContact CG-CE2 3.87Å; K202-Y273 HydrophobicContact CG-CG 4.36Å
203L98.4Very high97.6Very high24 Ų2435.3 Ų35.313%0.12621%0.208CC..Hα-helixtrans-73.7-30.4174-71.7172.9000113.8D199 A200 L201 L206 A207 F222 V223 K226 L227D199-L203 WeakPolarHBondContact O-CB 3.47Å; D199-L203 VanDerWaalsContact O-CG 3.27Å; D199-L203 WeakPolarHBondContact O-CG 3.29Å; D199-L203 PolarHBondContact O-N 3.25Å; A200-L203 PolarHBondContact O-N 3.04Å; L201-L203 VanDerWaalsContact C-N 3.29Å; L201-L203 PolarHBondContact O-N 2.99Å; L203-L206 HydrophobicContact CD2-CD2 4.24Å; L203-A207 PolarHBondContact O-N 2.95Å; L203-F222 WeakPolarHBondContact O-CE1 3.39Å; L203-V223 HydrophobicContact CB-CB 4.42Å; L203-V223 HydrophobicContact CB-CG1 4.07Å; L203-V223 HydrophobicContact CB-CG2 4.05Å; L203-V223 HydrophobicContact CD1-CG1 4.36Å; L203-K226 HydrophobicContact CD1-CB 3.79Å; L203-K226 HydrophobicContact CD2-CB 3.65Å; L203-K226 HydrophobicContact CD2-CD 3.64Å; L203-K226 HydrophobicContact CD2-CG 4.29Å; L203-K226 HydrophobicContact CG-CB 4.38Å; L203-L227 HydrophobicContact CD1-CB 3.84Å; L203-L227 HydrophobicContact CD1-CD1 4Å
204V98.4Very high97.6Very high1 Ų136 Ų361%0.00621%0.206CC..Hα-helixtrans-68-41170.2169.70000110.7A200 L201 A207 L208 V223 V243 L246 F252A200-V204 WeakPolarHBondContact O-CG2 3.2Å; A200-V204 PolarHBondContact O-N 3.05Å; L201-V204 PolarHBondContact O-N 3.02Å; V204-A207 PolarHBondContact O-N 2.99Å; V204-L208 HydrophobicContact CG1-CD1 4.03Å; V204-V223 HydrophobicContact CG2-CG2 3.84Å; V204-V243 HydrophobicContact CG2-CG2 4.46Å; V204-L246 HydrophobicContact CB-CD1 4.48Å; V204-L246 HydrophobicContact CG1-CD1 3.9Å; V204-L246 HydrophobicContact CG2-CD1 4.47Å; V204-F252 HydrophobicContact CG1-CZ 4.47Å
205L98.1Very high97.7Very high15 Ų1534.9 Ų34.98%0.07920%0.199CC..Hα-helixtrans-63-50.9177.2-175.864.3000111.3L201 K202 A207 L208 E209 L266 L276L201-L205 PolarHBondContact O-N 3.46Å; K202-L205 PolarHBondContact O-N 3.48Å; L205-A207 PolarHBondContact O-N 3.44Å; L205-L208 PolarHBondContact O-N 3.03Å; L205-E209 HydrophobicContact CD1-CB 3.86Å; L205-E209 HydrophobicContact CG-CB 4.13Å; L205-E209 VanDerWaalsContact O-CB 3.29Å; L205-E209 WeakPolarHBondContact O-CB 3.26Å; L205-E209 WeakPolarHBondContact O-CG 3.27Å; L205-E209 PolarHBondContact O-N 2.84Å; L205-L266 HydrophobicContact CD1-CD2 3.79Å; L205-L276 HydrophobicContact CB-CD2 4.32Å
206L97.9Very high97.7Very high87 Ų8736.4 Ų36.446%0.45519%0.193SC..THydrogen-bonded Turntrans-56.7-14175.4-176.663.1000114.6K202 L203 F222K202-L206 WeakPolarHBondContact O-CB 3.46Å; K202-L206 PolarHBondContact O-N 3.19Å; L203-L206 HydrophobicContact CD2-CD2 4.24Å; L206-F222 HydrophobicContact CG-CZ 4.36Å
207A97.8Very high97.7Very high7 Ų743.4 Ų43.46%0.05822%0.223CC..THydrogen-bonded Turntrans-99-10.2177.700000114.2L203 V204 L205 L214 L219 F222L203-A207 PolarHBondContact O-N 2.95Å; V204-A207 PolarHBondContact O-N 2.99Å; L205-A207 PolarHBondContact O-N 3.44Å; A207-L214 HydrophobicContact CB-CD1 4Å; A207-L214 WeakPolarHBondContact O-CD1 3.16Å; A207-L219 HydrophobicContact CB-CD1 3.67Å; A207-F222 HydrophobicContact CB-CD1 3.84Å; A207-F222 HydrophobicContact CB-CE1 3.65Å; A207-F222 HydrophobicContact CB-CG 4.46Å; A207-F222 HydrophobicContact CB-CZ 4.07Å
208L97.8Very high97.7Very high0 Ų046.8 Ų46.80%024%0.244CC..THydrogen-bonded Turntrans-146.2-4-167-56.9172000114.8V204 L205 D210 G211 S212 L214 L219 F252 L266V204-L208 HydrophobicContact CG1-CD1 4.03Å; L205-L208 PolarHBondContact O-N 3.03Å; L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 3.3Å; L208-G211 WeakPolarHBondContact O-CA 3.44Å; L208-G211 PolarHBondContact O-N 3.32Å; L208-S212 VanDerWaalsContact CD2-O 3.23Å; L208-S212 WeakPolarHBondContact CD2-O 3.37Å; L208-L214 HydrophobicContact CD2-CB 4.11Å; L208-L214 HydrophobicContact CD2-CD1 3.97Å; L208-L214 HydrophobicContact CD2-CG 3.87Å; L208-L219 HydrophobicContact CD1-CD1 4.06Å; L208-L219 HydrophobicContact CD1-CD2 4.04Å; L208-L219 HydrophobicContact CG-CD1 4.21Å; L208-F252 HydrophobicContact CD1-CD1 4.29Å; L208-F252 HydrophobicContact CD1-CE1 3.66Å; L208-L266 HydrophobicContact CB-CB 3.7Å; L208-L266 HydrophobicContact CB-CD2 4.38Å; L208-L266 HydrophobicContact CD1-CB 4.18Å
209E96.2Very high97.7Very high91 Ų9143.5 Ų43.543%0.42523%0.228SC..THydrogen-bonded Turntrans-67-30.8-178.462.9-169.3176.900113.3L205 G211 R271L205-E209 HydrophobicContact CD1-CB 3.86Å; L205-E209 HydrophobicContact CG-CB 4.13Å; L205-E209 VanDerWaalsContact O-CB 3.29Å; L205-E209 WeakPolarHBondContact O-CB 3.26Å; L205-E209 WeakPolarHBondContact O-CG 3.27Å; L205-E209 PolarHBondContact O-N 2.84Å; E209-G211 PolarHBondContact O-N 3.07Å; E209-R271 WeakPolarHBondContact O-CD 3.39Å
210D96.1Very high97.7Very high109 Ų10942.8 Ų42.858%0.58323%0.225SC*.THydrogen-bonded Turntrans-65.3-15.1167.466.6-26.7000113L208 S212L208-D210 VanDerWaalsContact C-N 3.33Å; L208-D210 PolarHBondContact O-N 3.3Å; D210-S212 WeakPolarHBondContact OD1-CB 3.24Å; D210-S212 PolarHBondContact OD1-N 3.35Å; D210-S212 PolarHBondContact OD1-OG 3.44Å; D210-S212 WeakPolarHBondContact OD2-CB 3.31Å; D210-S212 PolarHBondContact OD2-OG 2.94Å
211G95Very high97.7Very high13 Ų1346 Ų4613%0.13424%0.241CC..  trans8718.3-170.300000114.1L208 E209 Q265 R271L208-G211 WeakPolarHBondContact O-CA 3.44Å; L208-G211 PolarHBondContact O-N 3.32Å; E209-G211 PolarHBondContact O-N 3.07Å; G211-Q265 WeakPolarHBondContact O-CG 3.41Å; G211-Q265 PolarHBondContact O-NE2 2.94Å; G211-R271 VanDerWaalsContact CA-NH2 3.31Å
212S97.4Very high97.7Very high44 Ų4448.9 Ų48.931%0.30825%0.254SS..  trans-53.2144.9169.1-89.80000111.7L208 D210L208-S212 VanDerWaalsContact CD2-O 3.23Å; L208-S212 WeakPolarHBondContact CD2-O 3.37Å; D210-S212 WeakPolarHBondContact OD1-CB 3.24Å; D210-S212 PolarHBondContact OD1-N 3.35Å; D210-S212 PolarHBondContact OD1-OG 3.44Å; D210-S212 WeakPolarHBondContact OD2-CB 3.31Å; D210-S212 PolarHBondContact OD2-OG 2.94Å
213A97.3Very high97.6Very high43 Ų4345 Ų4536%0.35524%0.237SC..EExtended strand (participates in β ladder)trans-114.495.4-179.100000109.7L263 Q265A213-L263 HydrophobicContact CB-CB 4.16Å; A213-L263 HydrophobicContact CB-CD1 4.29Å; A213-Q265 HydrophobicContact CB-CB 4.21Å
214L98Very high97.6Very high40 Ų4044.1 Ų44.121%0.20923%0.233CC..EExtended strand (participates in β ladder)trans-104.7144-173-59-178.9000111.5A207 L208 V218 L219 M264A207-L214 HydrophobicContact CB-CD1 4Å; A207-L214 WeakPolarHBondContact O-CD1 3.16Å; L208-L214 HydrophobicContact CD2-CB 4.11Å; L208-L214 HydrophobicContact CD2-CD1 3.97Å; L208-L214 HydrophobicContact CD2-CG 3.87Å; L214-V218 HydrophobicContact CD2-CG1 4.2Å; L214-L219 HydrophobicContact CB-CB 4.36Å; L214-L219 HydrophobicContact CD1-CD1 4.32Å; L214-M264 PolarHBondContact N-O 3.46Å; L214-M264 PolarHBondContact O-N 2.93Å
215S98.1Very high97.5Very high15 Ų1551.5 Ų51.511%0.10527%0.267CS..EExtended strand (participates in β ladder)trans-70.115116974.80000110.6K217 V218 L219S215-K217 PolarHBondContact O-N 3.04Å; S215-V218 PolarHBondContact O-N 3.12Å; S215-V218 WeakPolarHBondContact OG-CG2 3.38Å; S215-L219 PolarHBondContact O-N 2.98Å
216R98.2Very high97.4Very high86 Ų8655.5 Ų55.533%0.32528%0.284SS..Hα-helixtrans-49.9-38.3178.6-177178.3-75.6-158.4-4.9112.6V220 V243 Q244 M264R216-V220 HydrophobicContact CG-CG2 4.34Å; R216-V220 WeakPolarHBondContact O-CB 3.35Å; R216-V220 WeakPolarHBondContact O-CG2 3.37Å; R216-V220 PolarHBondContact O-N 3.35Å; R216-V243 HydrophobicContact CG-CG1 4.34Å; R216-Q244 VanDerWaalsContact CZ-OE1 3.29Å; R216-M264 HydrophobicContact CB-SD 3.87Å; R216-M264 HydrophobicContact CG-SD 4.46Å
217K97.7Very high97.3Very high155 Ų15551.5 Ų51.567%0.67426%0.263SS*.Hα-helixtrans-63.3-44.7177.8-177.3-179.4176.1-1750112.1S215 L221S215-K217 PolarHBondContact O-N 3.04Å; K217-L221 HydrophobicContact CG-CD1 4.25Å; K217-L221 WeakPolarHBondContact O-CD1 3.47Å; K217-L221 VanDerWaalsContact O-CG 3.23Å; K217-L221 WeakPolarHBondContact O-CG 3.46Å; K217-L221 PolarHBondContact O-N 3.3Å
218V98.3Very high97Very high72 Ų7256 Ų5644%0.43628%0.283SS..Hα-helixtrans-69.7-47.5-179.51740000110.8L214 S215 V220 L221 F222L214-V218 HydrophobicContact CD2-CG1 4.2Å; S215-V218 PolarHBondContact O-N 3.12Å; S215-V218 WeakPolarHBondContact OG-CG2 3.38Å; V218-V220 PolarHBondContact O-N 2.85Å; V218-L221 PolarHBondContact O-N 2.93Å; V218-F222 PolarHBondContact O-N 2.99Å
219L98.3Very high96.7Very high0 Ų060.4 Ų60.40%032%0.32CS..Hα-helixtrans-57.9-47.7178.3-179.964.4000112A207 L208 L214 S215 L221 F222 V223 V243 F252A207-L219 HydrophobicContact CB-CD1 3.67Å; L208-L219 HydrophobicContact CD1-CD1 4.06Å; L208-L219 HydrophobicContact CD1-CD2 4.04Å; L208-L219 HydrophobicContact CG-CD1 4.21Å; L214-L219 HydrophobicContact CB-CB 4.36Å; L214-L219 HydrophobicContact CD1-CD1 4.32Å; S215-L219 PolarHBondContact O-N 2.98Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 3.46Å; L219-F222 PolarHBondContact O-N 2.95Å; L219-V223 HydrophobicContact CD1-CG2 4.39Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 3.06Å; L219-V223 VanDerWaalsContact O-N 3.08Å; L219-V243 HydrophobicContact CD2-CG1 4.05Å; L219-V243 HydrophobicContact CD2-CG2 4.01Å; L219-V243 HydrophobicContact CG-CG2 4.38Å; L219-F252 HydrophobicContact CD2-CZ 4.48Å
220V98.4Very high96.5Very high13 Ų1363.6 Ų63.68%0.07933%0.328CS..Hα-helixtrans-63-38.3178.5168.30000111.8R216 V218 V224 K236 I239 V243R216-V220 HydrophobicContact CG-CG2 4.34Å; R216-V220 WeakPolarHBondContact O-CB 3.35Å; R216-V220 WeakPolarHBondContact O-CG2 3.37Å; R216-V220 PolarHBondContact O-N 3.35Å; V218-V220 PolarHBondContact O-N 2.85Å; V220-V224 HydrophobicContact CG1-CG2 4.35Å; V220-V224 WeakPolarHBondContact O-CB 3.27Å; V220-V224 VanDerWaalsContact O-CG2 3.23Å; V220-V224 WeakPolarHBondContact O-CG2 3.44Å; V220-V224 PolarHBondContact O-N 3.13Å; V220-K236 HydrophobicContact CG1-CB 4.13Å; V220-K236 VanDerWaalsContact CG1-O 3.3Å; V220-K236 WeakPolarHBondContact CG1-O 3.26Å; V220-I239 HydrophobicContact CG1-CB 4.36Å; V220-I239 HydrophobicContact CG1-CG2 4.25Å; V220-I239 HydrophobicContact CG2-CG2 4.39Å; V220-V243 HydrophobicContact CG2-CB 4.46Å; V220-V243 HydrophobicContact CG2-CG2 4.06Å
221L97.5Very high96.4Very high67 Ų6759.9 Ų59.935%0.35131%0.307SS..Hα-helixtrans-67.1-44.7177.3-73170.6000112.2K217 V218 L219 V223 V224 Q225 K236K217-L221 HydrophobicContact CG-CD1 4.25Å; K217-L221 WeakPolarHBondContact O-CD1 3.47Å; K217-L221 VanDerWaalsContact O-CG 3.23Å; K217-L221 WeakPolarHBondContact O-CG 3.46Å; K217-L221 PolarHBondContact O-N 3.3Å; V218-L221 PolarHBondContact O-N 2.93Å; L219-L221 VanDerWaalsContact C-N 3.33Å; L219-L221 PolarHBondContact O-N 3.46Å; L221-V223 PolarHBondContact O-N 2.9Å; L221-V224 PolarHBondContact O-N 2.99Å; L221-Q225 VanDerWaalsContact O-CB 3.29Å; L221-Q225 WeakPolarHBondContact O-CB 3.43Å; L221-Q225 PolarHBondContact O-N 3.46Å; L221-K236 HydrophobicContact CD2-CD 3.89Å; L221-K236 HydrophobicContact CD2-CG 4.36Å
222F98.1Very high96.2Very high62 Ų6264.4 Ų64.427%0.27233%0.334SS..Hα-helixtrans-57.6-47.5176.2176.2-84.6000112L203 L206 A207 V218 L219 K226L203-F222 WeakPolarHBondContact O-CE1 3.39Å; L206-F222 HydrophobicContact CG-CZ 4.36Å; A207-F222 HydrophobicContact CB-CD1 3.84Å; A207-F222 HydrophobicContact CB-CE1 3.65Å; A207-F222 HydrophobicContact CB-CG 4.46Å; A207-F222 HydrophobicContact CB-CZ 4.07Å; V218-F222 PolarHBondContact O-N 2.99Å; L219-F222 PolarHBondContact O-N 2.95Å; F222-K226 HydrophobicContact CD1-CD 4.38Å; F222-K226 HydrophobicContact CE1-CD 3.95Å; F222-K226 HydrophobicContact CE2-CD 4.42Å; F222-K226 HydrophobicContact CZ-CD 4.03Å; F222-K226 PolarHBondContact O-N 3.26Å
223V97.8Very high95.8Very high0 Ų068.1 Ų68.10%035%0.346CS..Hα-helixtrans-67.4-45.5-179.1175.20000111A200 L203 V204 L219 L221 K226 L227 I239A200-V223 HydrophobicContact CB-CG1 4.45Å; L203-V223 HydrophobicContact CB-CB 4.42Å; L203-V223 HydrophobicContact CB-CG1 4.07Å; L203-V223 HydrophobicContact CB-CG2 4.05Å; L203-V223 HydrophobicContact CD1-CG1 4.36Å; V204-V223 HydrophobicContact CG2-CG2 3.84Å; L219-V223 HydrophobicContact CD1-CG2 4.39Å; L219-V223 WeakPolarHBondContact O-CG2 3.46Å; L219-V223 PolarHBondContact O-N 3.06Å; L219-V223 VanDerWaalsContact O-N 3.08Å; L221-V223 PolarHBondContact O-N 2.9Å; V223-K226 PolarHBondContact O-N 3.19Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 PolarHBondContact O-N 3.41Å; V223-I239 HydrophobicContact CB-CG2 3.82Å; V223-I239 HydrophobicContact CG1-CD1 4.09Å; V223-I239 HydrophobicContact CG1-CG1 4.39Å; V223-I239 HydrophobicContact CG1-CG2 3.61Å
224V97.6Very high95.5Very high7 Ų766.4 Ų66.44%0.04233%0.332CS..Hα-helixtrans-59.1-51176.51710000111V220 L221 K226 L227 E228 K236 I239V220-V224 HydrophobicContact CG1-CG2 4.35Å; V220-V224 WeakPolarHBondContact O-CB 3.27Å; V220-V224 VanDerWaalsContact O-CG2 3.23Å; V220-V224 WeakPolarHBondContact O-CG2 3.44Å; V220-V224 PolarHBondContact O-N 3.13Å; L221-V224 PolarHBondContact O-N 2.99Å; V224-K226 PolarHBondContact O-N 2.84Å; V224-L227 PolarHBondContact O-N 3.29Å; V224-L227 VanDerWaalsContact O-N 3.08Å; V224-E228 VanDerWaalsContact O-CB 3.25Å; V224-E228 WeakPolarHBondContact O-CB 3.35Å; V224-E228 PolarHBondContact O-N 3.46Å; V224-K236 HydrophobicContact CG2-CG 4.27Å; V224-I239 HydrophobicContact CG2-CB 3.87Å; V224-I239 HydrophobicContact CG2-CG1 3.64Å; V224-I239 HydrophobicContact CG2-CG2 4.31Å
225Q96.3Very high95.4Very high155 Ų15566.7 Ų66.772%0.72434%0.338SS*.Hα-helixtrans-60-32-175.7-173.6177.62.300113.1L221L221-Q225 VanDerWaalsContact O-CB 3.29Å; L221-Q225 WeakPolarHBondContact O-CB 3.43Å; L221-Q225 PolarHBondContact O-N 3.46Å
226K95.8Very high95.4Very high99 Ų9972.4 Ų72.443%0.4336%0.361SS..Hα-helixtrans-86-29.1175.4-72.4-176.4172.4-177.60113.8L203 F222 V223 V224L203-K226 HydrophobicContact CD1-CB 3.79Å; L203-K226 HydrophobicContact CD2-CB 3.65Å; L203-K226 HydrophobicContact CD2-CD 3.64Å; L203-K226 HydrophobicContact CD2-CG 4.29Å; L203-K226 HydrophobicContact CG-CB 4.38Å; F222-K226 HydrophobicContact CD1-CD 4.38Å; F222-K226 HydrophobicContact CE1-CD 3.95Å; F222-K226 HydrophobicContact CE2-CD 4.42Å; F222-K226 HydrophobicContact CZ-CD 4.03Å; F222-K226 PolarHBondContact O-N 3.26Å; V223-K226 PolarHBondContact O-N 3.19Å; V224-K226 PolarHBondContact O-N 2.84Å
227L95.2Very high95.4Very high3 Ų372.9 Ų72.92%0.01637%0.373CS..Hα-helixtrans-85.4-34.5-176.7-166.471.8000113.1M196 D199 A200 L203 V223 V224 A229 R230 F231 A234 I239M196-L227 HydrophobicContact CE-CD2 3.69Å; M196-L227 HydrophobicContact CE-CG 4.42Å; M196-L227 HydrophobicContact CG-CD2 4.12Å; D199-L227 HydrophobicContact CB-CD1 3.62Å; A200-L227 HydrophobicContact CB-CD2 4.12Å; L203-L227 HydrophobicContact CD1-CB 3.84Å; L203-L227 HydrophobicContact CD1-CD1 4Å; V223-L227 WeakPolarHBondContact O-CB 3.26Å; V223-L227 PolarHBondContact O-N 3.41Å; V224-L227 PolarHBondContact O-N 3.29Å; V224-L227 VanDerWaalsContact O-N 3.08Å; L227-A229 PolarHBondContact O-N 2.89Å; L227-R230 PolarHBondContact O-N 2.86Å; L227-F231 HydrophobicContact CD1-CD2 3.49Å; L227-F231 VanDerWaalsContact CD1-CD2 3.49Å; L227-F231 HydrophobicContact CD1-CE2 3.8Å; L227-F231 HydrophobicContact CG-CB 4.44Å; L227-F231 HydrophobicContact CG-CD2 3.82Å; L227-F231 PolarHBondContact O-N 3.33Å; L227-A234 HydrophobicContact CB-CB 4.34Å; L227-A234 HydrophobicContact CD2-CB 4.09Å; L227-A234 HydrophobicContact CG-CB 4.31Å; L227-I239 HydrophobicContact CD2-CD1 3.57Å
228E93.1Very high95.3Very high101 Ų10165.9 Ų65.947%0.47234%0.343SS..THydrogen-bonded Turntrans-56.9-34.4-176.4-173171-176.100112.6V224 R230 F231 A234V224-E228 VanDerWaalsContact O-CB 3.25Å; V224-E228 WeakPolarHBondContact O-CB 3.35Å; V224-E228 PolarHBondContact O-N 3.46Å; E228-R230 PolarHBondContact O-N 3.09Å; E228-F231 CarbonylContact O-C 3.6Å; E228-F231 PolarHBondContact O-N 3.28Å; E228-A234 HydrophobicContact CB-CB 4.35Å
229A89.8Confident95.3Very high94 Ų9462.5 Ų62.578%0.77732%0.323SS*.THydrogen-bonded Turntrans-63.2-21.2175.900000114.7L227L227-A229 PolarHBondContact O-N 2.89Å
230R93.1Very high95.3Very high158 Ų15863.1 Ų63.160%0.59633%0.33SS*.THydrogen-bonded Turntrans-111.1-22175-72.7178.760.5-144.4-15.2113D199 L227 E228D199-R230 IonicContact OD1-CZ 2.93Å; D199-R230 IonicContact OD1-NH1 3.15Å; D199-R230 PolarHBondContact OD1-NH1 3.1Å; D199-R230 IonicContact OD1-NH2 3.11Å; D199-R230 IonicContact OD2-CZ 2.89Å; D199-R230 IonicContact OD2-NH1 3.82Å; D199-R230 PolarHBondContact OD2-NH1 2.86Å; D199-R230 IonicContact OD2-NH2 3.89Å; D199-R230 PolarHBondContact OD2-NH2 2.76Å; L227-R230 PolarHBondContact O-N 2.86Å; E228-R230 PolarHBondContact O-N 3.09Å
231F94.3Very high95.3Very high31 Ų3165.5 Ų65.514%0.13634%0.34CS..  trans-140.487-176.9-57-83.1000110.2A195 M196 D199 L227 E228 Q233 A234A195-F231 HydrophobicContact CB-CZ 4.48Å; M196-F231 HydrophobicContact CB-CD1 4.04Å; M196-F231 HydrophobicContact CB-CE1 3.95Å; M196-F231 HydrophobicContact CB-CG 4.37Å; M196-F231 HydrophobicContact CB-CZ 4.2Å; M196-F231 HydrophobicContact CE-CB 3.72Å; M196-F231 HydrophobicContact CE-CG 4.39Å; M196-F231 HydrophobicContact CG-CB 4.21Å; M196-F231 HydrophobicContact CG-CD1 4Å; M196-F231 HydrophobicContact CG-CD2 4.14Å; M196-F231 HydrophobicContact CG-CE1 4.35Å; M196-F231 HydrophobicContact CG-CE2 4.48Å; M196-F231 HydrophobicContact CG-CG 3.86Å; M196-F231 HydrophobicContact SD-CB 3.99Å; M196-F231 HydrophobicContact SD-CD1 4.28Å; M196-F231 HydrophobicContact SD-CG 4.2Å; D199-F231 HydrophobicContact CB-CE2 4.03Å; D199-F231 VanDerWaalsContact OD2-CE2 3.3Å; D199-F231 WeakPolarHBondContact OD2-CE2 3.43Å; D199-F231 WeakPolarHBondContact OD2-CZ 3.01Å; L227-F231 HydrophobicContact CD1-CD2 3.49Å; L227-F231 VanDerWaalsContact CD1-CD2 3.49Å; L227-F231 HydrophobicContact CD1-CE2 3.8Å; L227-F231 HydrophobicContact CG-CB 4.44Å; L227-F231 HydrophobicContact CG-CD2 3.82Å; L227-F231 PolarHBondContact O-N 3.33Å; E228-F231 CarbonylContact O-C 3.6Å; E228-F231 PolarHBondContact O-N 3.28Å; F231-Q233 PolarHBondContact O-N 2.98Å; F231-A234 WeakPolarHBondContact O-CB 3.44Å; F231-A234 PolarHBondContact O-N 3.4Å
232P91Very high95.4Very high108 Ų10862.3 Ų62.370%0.70132%0.323SS*.THydrogen-bonded Turntrans-60.3-13.5-177.4-26.636.4000115.4A234P232-A234 PolarHBondContact O-N 3.21Å
233Q87.6Confident95.4Very high121 Ų12159.4 Ų59.457%0.56531%0.31SS*.THydrogen-bonded Turntrans-78.71169.872.3-80.29.200114.2M196 F231 S235M196-Q233 HydrophobicContact CE-CG 4.07Å; M196-Q233 HydrophobicContact SD-CG 3.88Å; M196-Q233 PolarHBondContact SD-NE2 3.36Å; M196-Q233 VanDerWaalsContact SD-NE2 3.4Å; F231-Q233 PolarHBondContact O-N 2.98Å; Q233-S235 PolarHBondContact O-N 3.08Å
234A92.1Very high95.4Very high8 Ų861.3 Ų61.37%0.06632%0.319CS..  trans-65.7129.3173.400000110.4M196 L227 E228 F231 P232M196-A234 HydrophobicContact CE-CB 3.7Å; L227-A234 HydrophobicContact CB-CB 4.34Å; L227-A234 HydrophobicContact CD2-CB 4.09Å; L227-A234 HydrophobicContact CG-CB 4.31Å; E228-A234 HydrophobicContact CB-CB 4.35Å; F231-A234 WeakPolarHBondContact O-CB 3.44Å; F231-A234 PolarHBondContact O-N 3.4Å; P232-A234 PolarHBondContact O-N 3.21Å
235S96.3Very high95.5Very high46 Ų4661 Ų6132%0.32232%0.317SS..  trans-138.3153.9179.675.10000111Q233 T237 S238 I239Q233-S235 PolarHBondContact O-N 3.08Å; S235-T237 PolarHBondContact O-N 3.49Å; S235-S238 PolarHBondContact N-OG 2.97Å; S235-S238 VanDerWaalsContact N-OG 3.11Å; S235-S238 PolarHBondContact O-N 3.33Å; S235-S238 VanDerWaalsContact O-N 3.16Å; S235-S238 PolarHBondContact O-OG 2.94Å; S235-S238 WeakPolarHBondContact OG-CB 3.24Å; S235-S238 PolarHBondContact OG-N 3.45Å; S235-S238 PolarHBondContact OG-OG 3.06Å; S235-I239 WeakPolarHBondContact O-CB 3.39Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 2.86Å
236K97.3Very high95.6Very high135 Ų13553.6 Ų53.659%0.58728%0.283SS*.Hα-helixtrans-56.4-34.9176.8-60173.3-170.4176.60111.5V220 L221 V224 G240V220-K236 HydrophobicContact CG1-CB 4.13Å; V220-K236 VanDerWaalsContact CG1-O 3.3Å; V220-K236 WeakPolarHBondContact CG1-O 3.26Å; L221-K236 HydrophobicContact CD2-CD 3.89Å; L221-K236 HydrophobicContact CD2-CG 4.36Å; V224-K236 HydrophobicContact CG2-CG 4.27Å; K236-G240 PolarHBondContact O-N 2.92Å
237T96.9Very high95.7Very high95 Ų9553.9 Ų53.958%0.58328%0.282SS*.Hα-helixtrans-68.9-52.2175.2-46.30000111.9S235 I239 G240 H241S235-T237 PolarHBondContact O-N 3.49Å; T237-I239 PolarHBondContact O-N 2.73Å; T237-G240 PolarHBondContact O-N 3.46Å; T237-H241 PolarHBondContact O-N 2.9Å; T237-H241 PolarHBondContact O-ND1 2.94Å
238S97Very high95.9Very high8 Ų858 Ų586%0.05630%0.297CS..Hα-helixtrans-66.6-36.8-176.459.80000112.9S235 H241 V242S235-S238 PolarHBondContact N-OG 2.97Å; S235-S238 VanDerWaalsContact N-OG 3.11Å; S235-S238 PolarHBondContact O-N 3.33Å; S235-S238 VanDerWaalsContact O-N 3.16Å; S235-S238 PolarHBondContact O-OG 2.94Å; S235-S238 WeakPolarHBondContact OG-CB 3.24Å; S235-S238 PolarHBondContact OG-N 3.45Å; S235-S238 PolarHBondContact OG-OG 3.06Å; S238-H241 PolarHBondContact O-N 3.37Å; S238-V242 PolarHBondContact O-N 3.42Å
239I98.2Very high96.1Very high1 Ų153.5 Ų53.51%0.00528%0.277CS..Hα-helixtrans-73.4-35.3172.6-61.3-60000111.7L192 A200 V220 V223 V224 L227 S235 T237 H241 V242 V243L192-I239 HydrophobicContact CD1-CD1 3.76Å; A200-I239 HydrophobicContact CB-CD1 4.18Å; V220-I239 HydrophobicContact CG1-CB 4.36Å; V220-I239 HydrophobicContact CG1-CG2 4.25Å; V220-I239 HydrophobicContact CG2-CG2 4.39Å; V223-I239 HydrophobicContact CB-CG2 3.82Å; V223-I239 HydrophobicContact CG1-CD1 4.09Å; V223-I239 HydrophobicContact CG1-CG1 4.39Å; V223-I239 HydrophobicContact CG1-CG2 3.61Å; V224-I239 HydrophobicContact CG2-CB 3.87Å; V224-I239 HydrophobicContact CG2-CG1 3.64Å; V224-I239 HydrophobicContact CG2-CG2 4.31Å; L227-I239 HydrophobicContact CD2-CD1 3.57Å; S235-I239 WeakPolarHBondContact O-CB 3.39Å; S235-I239 WeakPolarHBondContact O-CG1 3.43Å; S235-I239 PolarHBondContact O-N 2.86Å; T237-I239 PolarHBondContact O-N 2.73Å; I239-H241 PolarHBondContact O-N 3.34Å; I239-V242 PolarHBondContact O-N 3.35Å; I239-V242 VanDerWaalsContact O-N 3.09Å; I239-V243 PolarHBondContact O-N 3.37Å
240G98.4Very high96.5Very high14 Ų1452.4 Ų52.414%0.14426%0.264CS..Hα-helixtrans-56.2-38.4169.600000112.8K236 T237 V243 Q244K236-G240 PolarHBondContact O-N 2.92Å; T237-G240 PolarHBondContact O-N 3.46Å; G240-V243 PolarHBondContact O-N 3.12Å; G240-Q244 WeakPolarHBondContact O-CB 3.49Å; G240-Q244 PolarHBondContact O-N 3.12Å
241H98.5Very high96.7Very high62 Ų6244.9 Ų44.929%0.28724%0.235SC..Hα-helixtrans-71.4-29.3174.5-62156.6000114G188 C189 Q190 T237 S238 I239 Q244 L245G188-H241 PolarHBondContact O-CD2 3.23Å; C189-H241 WeakPolarHBondContact CA-O 3.36Å; Q190-H241 HydrophobicContact CB-CB 3.4Å; Q190-H241 PolarHBondContact N-O 3.46Å; Q190-H241 PolarHBondContact OE1-ND1 3.39Å; T237-H241 PolarHBondContact O-N 2.9Å; T237-H241 PolarHBondContact O-ND1 2.94Å; S238-H241 PolarHBondContact O-N 3.37Å; I239-H241 PolarHBondContact O-N 3.34Å; H241-Q244 PolarHBondContact O-N 3.06Å; H241-L245 PolarHBondContact O-N 2.69Å
242V98.6Very high96.9Very high1 Ų144 Ų441%0.00623%0.232CC..Hα-helixtrans-69.8-44.8171.2176.70000110.4L192 L201 S238 I239 Q244 L245 L246L192-V242 HydrophobicContact CD1-CG2 3.7Å; L192-V242 HydrophobicContact CG-CG2 3.92Å; L201-V242 HydrophobicContact CD2-CG1 4.36Å; S238-V242 PolarHBondContact O-N 3.42Å; I239-V242 PolarHBondContact O-N 3.35Å; I239-V242 VanDerWaalsContact O-N 3.09Å; V242-Q244 VanDerWaalsContact C-N 3.25Å; V242-Q244 PolarHBondContact O-N 3.08Å; V242-L245 WeakPolarHBondContact O-CB 3.48Å; V242-L245 PolarHBondContact O-N 3.27Å; V242-L245 VanDerWaalsContact O-N 3.11Å; V242-L246 PolarHBondContact O-N 3.21Å; V242-L246 VanDerWaalsContact O-N 3.11Å
243V98.5Very high97.2Very high0 Ų044.7 Ų44.70%022%0.224CC..Hα-helixtrans-63-33.3173.7174.90000111.3V204 R216 L219 V220 I239 G240 Y247 F252 M264V204-V243 HydrophobicContact CG2-CG2 4.46Å; R216-V243 HydrophobicContact CG-CG1 4.34Å; L219-V243 HydrophobicContact CD2-CG1 4.05Å; L219-V243 HydrophobicContact CD2-CG2 4.01Å; L219-V243 HydrophobicContact CG-CG2 4.38Å; V220-V243 HydrophobicContact CG2-CB 4.46Å; V220-V243 HydrophobicContact CG2-CG2 4.06Å; I239-V243 PolarHBondContact O-N 3.37Å; G240-V243 PolarHBondContact O-N 3.12Å; V243-Y247 WeakPolarHBondContact O-CB 3.33Å; V243-Y247 PolarHBondContact O-N 3.36Å; V243-F252 HydrophobicContact CG1-CE2 4.32Å; V243-F252 HydrophobicContact CG1-CZ 4.43Å; V243-M264 HydrophobicContact CG1-CE 3.74Å; V243-M264 HydrophobicContact CG1-SD 4.48Å
244Q98.6Very high97.7Very high40 Ų4041.8 Ų41.819%0.18721%0.214CC..Hα-helixtrans-69.7-31173.9-174.254.873.700113.1G188 R216 G240 H241 V242 Y247 R248G188-Q244 WeakPolarHBondContact O-CB 3.42Å; G188-Q244 WeakPolarHBondContact O-CG 3.21Å; R216-Q244 VanDerWaalsContact CZ-OE1 3.29Å; G240-Q244 WeakPolarHBondContact O-CB 3.49Å; G240-Q244 PolarHBondContact O-N 3.12Å; H241-Q244 PolarHBondContact O-N 3.06Å; V242-Q244 VanDerWaalsContact C-N 3.25Å; V242-Q244 PolarHBondContact O-N 3.08Å; Q244-Y247 PolarHBondContact O-N 3.05Å; Q244-R248 PolarHBondContact O-N 3.44Å
245L98.7Very high97.9Very high0 Ų044.5 Ų44.50%023%0.229CC..Hα-helixtrans-67.5-48.1172.8-179.559.1000111.2C189 H241 V242 Y247 R248 A249 H280 Q283 I284 I287C189-L245 HydrophobicContact CB-CB 4Å; C189-L245 HydrophobicContact CB-CD1 4.04Å; H241-L245 PolarHBondContact O-N 2.69Å; V242-L245 WeakPolarHBondContact O-CB 3.48Å; V242-L245 PolarHBondContact O-N 3.27Å; V242-L245 VanDerWaalsContact O-N 3.11Å; L245-Y247 PolarHBondContact O-N 2.81Å; L245-R248 PolarHBondContact O-N 3.01Å; L245-R248 VanDerWaalsContact O-N 3.12Å; L245-A249 WeakPolarHBondContact O-CB 3.3Å; L245-A249 PolarHBondContact O-N 3.08Å; L245-H280 WeakPolarHBondContact CD2-NE2 3.47Å; L245-Q283 HydrophobicContact CD1-CB 4.26Å; L245-Q283 HydrophobicContact CD1-CG 3.58Å; L245-I284 HydrophobicContact CD1-CG1 4.25Å; L245-I284 HydrophobicContact CD2-CD1 3.91Å; L245-I284 HydrophobicContact CD2-CG1 3.79Å; L245-I287 HydrophobicContact CD1-CD1 3.91Å
246L98.6Very high97.9Very high0 Ų050.8 Ų50.80%025%0.251CS..Hα-helixtrans-61.7-30173.3-66.4-179.2000113.1L201 V204 V242 A249 S250 C251 F252 L276 H280L201-L246 HydrophobicContact CD2-CD1 3.79Å; L201-L246 HydrophobicContact CD2-CD2 3.88Å; L201-L246 HydrophobicContact CD2-CG 4.14Å; V204-L246 HydrophobicContact CB-CD1 4.48Å; V204-L246 HydrophobicContact CG1-CD1 3.9Å; V204-L246 HydrophobicContact CG2-CD1 4.47Å; V242-L246 PolarHBondContact O-N 3.21Å; V242-L246 VanDerWaalsContact O-N 3.11Å; L246-A249 CarbonylContact O-C 3.59Å; L246-S250 PolarHBondContact O-N 3.38Å; L246-C251 HydrophobicContact CB-CB 4.45Å; L246-C251 WeakPolarHBondContact O-CB 3.37Å; L246-C251 PolarHBondContact O-N 3.44Å; L246-C251 VanDerWaalsContact O-N 3.11Å; L246-C251 PolarHBondContact O-SG 2.86Å; L246-F252 HydrophobicContact CB-CD2 4.46Å; L246-F252 HydrophobicContact CB-CE2 3.48Å; L246-F252 VanDerWaalsContact CB-CE2 3.48Å; L246-F252 HydrophobicContact CB-CZ 3.77Å; L246-F252 HydrophobicContact CD1-CZ 4.05Å; L246-L276 HydrophobicContact CD1-CD1 4.23Å; L246-L276 HydrophobicContact CD2-CD1 3.7Å; L246-L276 HydrophobicContact CD2-CG 4.36Å; L246-H280 HydrophobicContact CD2-CB 3.94Å
247Y98.4Very high97.8Very high106 Ų10648.6 Ų48.642%0.41624%0.239SC..Hα-helixtrans-69.2-41.5172.8-177.6-75.6000112.1V243 Q244 L245 S250 V254 M264V243-Y247 WeakPolarHBondContact O-CB 3.33Å; V243-Y247 PolarHBondContact O-N 3.36Å; Q244-Y247 PolarHBondContact O-N 3.05Å; L245-Y247 PolarHBondContact O-N 2.81Å; Y247-S250 PolarHBondContact O-N 2.87Å; Y247-V254 HydrophobicContact CD2-CG2 4.38Å; Y247-V254 HydrophobicContact CE2-CG2 3.85Å; Y247-M264 HydrophobicContact CD2-CE 4.08Å
248R97.9Very high97.5Very high90 Ų9051.3 Ų51.334%0.3425%0.25SS..Hα-helixtrans-64.7-42.7173.6-71.1-173.470.1111.2-0.6111C189 Q244 L245 S250 Q283 E290C189-R248 VanDerWaalsContact SG-CD 3.52Å; Q244-R248 PolarHBondContact O-N 3.44Å; L245-R248 PolarHBondContact O-N 3.01Å; L245-R248 VanDerWaalsContact O-N 3.12Å; R248-S250 PolarHBondContact O-N 3.4Å; R248-S250 PolarHBondContact O-OG 3.38Å; R248-Q283 HydrophobicContact CB-CG 4.27Å; R248-Q283 VanDerWaalsContact CB-OE1 3.32Å; R248-Q283 PolarHBondContact O-OE1 3Å; R248-Q283 VanDerWaalsContact O-OE1 3.13Å; R248-E290 IonicContact NH2-OE1 2.66Å; R248-E290 IonicContact NH2-OE2 3.2Å
249A97.8Very high97.1Very high6 Ų660.4 Ų60.45%0.0529%0.292CS..THydrogen-bonded Turntrans-63.63.6173.300000114L245 L246 C251 E279 Q283L245-A249 WeakPolarHBondContact O-CB 3.3Å; L245-A249 PolarHBondContact O-N 3.08Å; L246-A249 CarbonylContact O-C 3.59Å; A249-C251 PolarHBondContact O-N 3.39Å; A249-E279 HydrophobicContact CB-CG 4.25Å; A249-Q283 HydrophobicContact CB-CB 3.66Å; A249-Q283 HydrophobicContact CB-CG 3.93Å; A249-Q283 VanDerWaalsContact N-OE1 3.12Å
250S98.1Very high96.9Very high70 Ų7064.6 Ų64.649%0.4931%0.314SS..THydrogen-bonded Turntrans5725.8175.4-600000114.4L246 Y247 R248 F252 K267L246-S250 PolarHBondContact O-N 3.38Å; Y247-S250 PolarHBondContact O-N 2.87Å; R248-S250 PolarHBondContact O-N 3.4Å; R248-S250 PolarHBondContact O-OG 3.38Å; S250-F252 PolarHBondContact O-N 2.88Å; S250-K267 WeakPolarHBondContact O-CE 3.34Å; S250-K267 PolarHBondContact O-NZ 3.44Å
251C98.4Very high96.7Very high0 Ų067 Ų670%033%0.329CS..  trans-69.4-18.5-178.7-54.40000113.3L246 A249 L266 K267 F270 L276L246-C251 HydrophobicContact CB-CB 4.45Å; L246-C251 WeakPolarHBondContact O-CB 3.37Å; L246-C251 PolarHBondContact O-N 3.44Å; L246-C251 VanDerWaalsContact O-N 3.11Å; L246-C251 PolarHBondContact O-SG 2.86Å; A249-C251 PolarHBondContact O-N 3.39Å; C251-L266 HydrophobicContact CB-CD1 4.08Å; C251-K267 WeakPolarHBondContact O-CG 3.18Å; C251-K267 PolarHBondContact O-N 3.46Å; C251-F270 HydrophobicContact CB-CD2 4.02Å; C251-F270 HydrophobicContact CB-CG 4.34Å; C251-L276 HydrophobicContact CB-CD1 4.16Å
252F98.5Very high96.7Very high14 Ų1466.5 Ų66.56%0.06133%0.332CS..EExtended strand (participates in β ladder)trans-106.5139.4-174-55.2-68.7000112.9V204 L208 L219 V243 L246 S250 V254 M264 Q265 L266V204-F252 HydrophobicContact CG1-CZ 4.47Å; L208-F252 HydrophobicContact CD1-CD1 4.29Å; L208-F252 HydrophobicContact CD1-CE1 3.66Å; L219-F252 HydrophobicContact CD2-CZ 4.48Å; V243-F252 HydrophobicContact CG1-CE2 4.32Å; V243-F252 HydrophobicContact CG1-CZ 4.43Å; L246-F252 HydrophobicContact CB-CD2 4.46Å; L246-F252 HydrophobicContact CB-CE2 3.48Å; L246-F252 VanDerWaalsContact CB-CE2 3.48Å; L246-F252 HydrophobicContact CB-CZ 3.77Å; L246-F252 HydrophobicContact CD1-CZ 4.05Å; S250-F252 PolarHBondContact O-N 2.88Å; F252-V254 HydrophobicContact CB-CG2 4.2Å; F252-M264 HydrophobicContact CB-CB 4.45Å; F252-M264 HydrophobicContact CB-CE 4.33Å; F252-M264 HydrophobicContact CD1-CB 4.31Å; F252-M264 HydrophobicContact CD1-CE 4.14Å; F252-M264 HydrophobicContact CD2-CE 3.2Å; F252-M264 HydrophobicContact CE1-CE 4.25Å; F252-M264 HydrophobicContact CE2-CE 3.31Å; F252-M264 HydrophobicContact CG-CB 4.35Å; F252-M264 HydrophobicContact CG-CE 3.64Å; F252-M264 HydrophobicContact CZ-CE 3.87Å; F252-Q265 CarbonylContact C-O 3.02Å; F252-Q265 VanDerWaalsContact CA-O 3.27Å; F252-Q265 WeakPolarHBondContact CA-O 3.31Å; F252-L266 HydrophobicContact CD1-CD1 4.03Å; F252-L266 HydrophobicContact CE1-CD1 3.88Å
253K97.6Very high96.6Very high122 Ų12268.4 Ų68.453%0.5334%0.342SS..EExtended strand (participates in β ladder)trans-81.5126.1154.6-175.9177.8179-177.50107.5Q265 K267K253-Q265 HydrophobicContact CB-CB 4.48Å; K253-Q265 PolarHBondContact N-O 3.27Å; K253-Q265 PolarHBondContact O-N 3.03Å; K253-K267 HydrophobicContact CB-CG 4.35Å
254V97.8Very high96.6Very high60 Ų6068.7 Ų68.736%0.36434%0.343SS..EExtended strand (participates in β ladder)trans-112.9113-173.4-175.70000109.7Y247 F252 L263Y247-V254 HydrophobicContact CD2-CG2 4.38Å; Y247-V254 HydrophobicContact CE2-CG2 3.85Å; F252-V254 HydrophobicContact CB-CG2 4.2Å; V254-L263 WeakPolarHBondContact CA-O 3.45Å
255T96.5Very high96.6Very high64 Ų6469 Ų6939%0.39335%0.345SS..EExtended strand (participates in β ladder)trans-97.4108.9177.7-54.50000108.7S262 L263T255-S262 WeakPolarHBondContact O-CA 3.31Å; T255-L263 PolarHBondContact N-O 2.85Å; T255-L263 PolarHBondContact O-N 3.34Å
256K95.9Very high96.6Very high178 Ų17869 Ų6977%0.77435%0.345SS*.EExtended strand (participates in β ladder)trans-65.7150.2167.6-65.8-176.6-179.9-179.40109.6
257R95.4Very high96.5Very high89 Ų8972.5 Ų72.534%0.33636%0.36SS..EExtended strand (participates in β ladder)trans-139.5139.5172.4-60.8-171.4-60.9125.15.1106.8D260 S261R257-D260 HydrophobicContact CB-CB 4.35Å; R257-D260 VanDerWaalsContact CZ-CG 3.4Å; R257-D260 IonicContact CZ-OD1 3.31Å; R257-D260 IonicContact CZ-OD2 3.16Å; R257-D260 VanDerWaalsContact NH1-CG 3.3Å; R257-D260 IonicContact NH1-OD1 3.52Å; R257-D260 IonicContact NH1-OD2 3.01Å; R257-D260 PolarHBondContact NH1-OD2 2.8Å; R257-D260 IonicContact NH2-OD1 2.83Å; R257-D260 PolarHBondContact NH2-OD1 3.26Å; R257-D260 IonicContact NH2-OD2 3.01Å; R257-D260 PolarHBondContact NH2-OD2 3.07Å; R257-D260 VanDerWaalsContact O-O 3.13Å; R257-S261 PolarHBondContact NE-O 3.12Å; R257-S261 PolarHBondContact NH2-O 3.34Å
258D90.4Very high96.5Very high153 Ų15374.8 Ų74.882%0.81838%0.375SS*.THydrogen-bonded Turntrans-74.9143.1-177.7-49.5-57.5000109.9D260D258-D260 PolarHBondContact O-N 3.49Å
259E89.1Confident96.5Very high199 Ų19975.3 Ų75.393%0.9338%0.381SS*.THydrogen-bonded Turntrans52.710.9-172.5-56.5-49.5100.400117.2
260D92.8Very high96.5Very high89 Ų8976 Ų7648%0.47638%0.383SS..EExtended strand (participates in β ladder)trans-144.8161.2-170.1-154.8-22.3000113.4R257 D258 S262R257-D260 HydrophobicContact CB-CB 4.35Å; R257-D260 VanDerWaalsContact CZ-CG 3.4Å; R257-D260 IonicContact CZ-OD1 3.31Å; R257-D260 IonicContact CZ-OD2 3.16Å; R257-D260 VanDerWaalsContact NH1-CG 3.3Å; R257-D260 IonicContact NH1-OD1 3.52Å; R257-D260 IonicContact NH1-OD2 3.01Å; R257-D260 PolarHBondContact NH1-OD2 2.8Å; R257-D260 IonicContact NH2-OD1 2.83Å; R257-D260 PolarHBondContact NH2-OD1 3.26Å; R257-D260 IonicContact NH2-OD2 3.01Å; R257-D260 PolarHBondContact NH2-OD2 3.07Å; R257-D260 VanDerWaalsContact O-O 3.13Å; D258-D260 PolarHBondContact O-N 3.49Å; D260-S262 PolarHBondContact O-N 3.24Å
261S95Very high96.4Very high64 Ų6475.7 Ų75.745%0.44837%0.371SS..EExtended strand (participates in β ladder)trans-62.1123.7-177.5-67.60000111.7R257R257-S261 PolarHBondContact NE-O 3.12Å; R257-S261 PolarHBondContact NH2-O 3.34Å
262S97.2Very high96.4Very high51 Ų5179 Ų7936%0.35739%0.391SS..EExtended strand (participates in β ladder)trans-56.6140.1174-59.30000111.6T255 D260T255-S262 WeakPolarHBondContact O-CA 3.31Å; D260-S262 PolarHBondContact O-N 3.24Å
263L97.7Very high96.4Very high41 Ų4180.2 Ų80.222%0.21540%0.396CS..EExtended strand (participates in β ladder)trans-95.5146.6179.5-55.4180000110.6A213 V254 T255A213-L263 HydrophobicContact CB-CB 4.16Å; A213-L263 HydrophobicContact CB-CD1 4.29Å; V254-L263 WeakPolarHBondContact CA-O 3.45Å; T255-L263 PolarHBondContact N-O 2.85Å; T255-L263 PolarHBondContact O-N 3.34Å
264M98.3Very high96.4Very high6 Ų680 Ų803%0.0340%0.396CS..EExtended strand (participates in β ladder)trans-121.8119.1-179.8-62173.656.500107.8L214 R216 V243 Y247 F252L214-M264 PolarHBondContact N-O 3.46Å; L214-M264 PolarHBondContact O-N 2.93Å; R216-M264 HydrophobicContact CB-SD 3.87Å; R216-M264 HydrophobicContact CG-SD 4.46Å; V243-M264 HydrophobicContact CG1-CE 3.74Å; V243-M264 HydrophobicContact CG1-SD 4.48Å; Y247-M264 HydrophobicContact CD2-CE 4.08Å; F252-M264 HydrophobicContact CB-CB 4.45Å; F252-M264 HydrophobicContact CB-CE 4.33Å; F252-M264 HydrophobicContact CD1-CB 4.31Å; F252-M264 HydrophobicContact CD1-CE 4.14Å; F252-M264 HydrophobicContact CD2-CE 3.2Å; F252-M264 HydrophobicContact CE1-CE 4.25Å; F252-M264 HydrophobicContact CE2-CE 3.31Å; F252-M264 HydrophobicContact CG-CB 4.35Å; F252-M264 HydrophobicContact CG-CE 3.64Å; F252-M264 HydrophobicContact CZ-CE 3.87Å
265Q97.9Very high96.4Very high47 Ų4779.4 Ų79.422%0.2239%0.393CS..EExtended strand (participates in β ladder)trans-112.7137.6175.5-177.7-175.839.900108.1G211 A213 F252 K253 K267G211-Q265 WeakPolarHBondContact O-CG 3.41Å; G211-Q265 PolarHBondContact O-NE2 2.94Å; A213-Q265 HydrophobicContact CB-CB 4.21Å; F252-Q265 CarbonylContact C-O 3.02Å; F252-Q265 VanDerWaalsContact CA-O 3.27Å; F252-Q265 WeakPolarHBondContact CA-O 3.31Å; K253-Q265 HydrophobicContact CB-CB 4.48Å; K253-Q265 PolarHBondContact N-O 3.27Å; K253-Q265 PolarHBondContact O-N 3.03Å; Q265-K267 PolarHBondContact O-N 3.29Å
266L98.3Very high96.5Very high0 Ų076.4 Ų76.40%038%0.375CS..EExtended strand (participates in β ladder)trans-73.2127.1175.5-162.765.4000109.5L205 L208 C251 F252 F270 R271 L276L205-L266 HydrophobicContact CD1-CD2 3.79Å; L208-L266 HydrophobicContact CB-CB 3.7Å; L208-L266 HydrophobicContact CB-CD2 4.38Å; L208-L266 HydrophobicContact CD1-CB 4.18Å; C251-L266 HydrophobicContact CB-CD1 4.08Å; F252-L266 HydrophobicContact CD1-CD1 4.03Å; F252-L266 HydrophobicContact CE1-CD1 3.88Å; L266-F270 HydrophobicContact CD1-CB 4.14Å; L266-F270 WeakPolarHBondContact CD2-O 3.24Å; L266-F270 HydrophobicContact CG-CB 4.17Å; L266-R271 HydrophobicContact CD2-CG 4.27Å; L266-R271 HydrophobicContact CG-CG 4.43Å; L266-R271 PolarHBondContact O-NE 2.92Å; L266-R271 VanDerWaalsContact O-NE 3.16Å; L266-R271 PolarHBondContact O-NH2 3.48Å; L266-L276 HydrophobicContact CD1-CD1 4.05Å; L266-L276 HydrophobicContact CD2-CD2 4.49Å
267K98.3Very high96.7Very high73 Ų7368 Ų6832%0.31734%0.338SS..  trans-64.9152.5176-54.9177.9-177.7162.40109.9S250 C251 K253 Q265 E269 F270S250-K267 WeakPolarHBondContact O-CE 3.34Å; S250-K267 PolarHBondContact O-NZ 3.44Å; C251-K267 WeakPolarHBondContact O-CG 3.18Å; C251-K267 PolarHBondContact O-N 3.46Å; K253-K267 HydrophobicContact CB-CG 4.35Å; Q265-K267 PolarHBondContact O-N 3.29Å; K267-E269 WeakPolarHBondContact CB-OE2 3.42Å; K267-E269 WeakPolarHBondContact CD-OE1 3.48Å; K267-E269 IonicContact NZ-OE1 2.72Å; K267-E269 PolarHBondContact O-N 3.01Å; K267-F270 HydrophobicContact CB-CD2 4.06Å; K267-F270 HydrophobicContact CD-CD2 4.34Å; K267-F270 HydrophobicContact CD-CE2 4.15Å; K267-F270 PolarHBondContact O-N 3.31Å
268E97.3Very high96.8Very high154 Ų15467.6 Ų67.672%0.7234%0.337SS*.G310 helixtrans-63.4-40-165.8-163.5163.9177.200112.8F270 R271E268-F270 PolarHBondContact O-N 3.14Å; E268-F270 VanDerWaalsContact O-N 3.12Å; E268-R271 WeakPolarHBondContact O-CB 3.47Å; E268-R271 PolarHBondContact O-N 2.82Å; E268-R271 VanDerWaalsContact O-N 3.12Å
269E97.3Very high97.2Very high101 Ų10163.5 Ų63.547%0.47231%0.313SS..G310 helixtrans-60.4-21.6175.768.5-84.9-158.800113.8K267 T275K267-E269 WeakPolarHBondContact CB-OE2 3.42Å; K267-E269 WeakPolarHBondContact CD-OE1 3.48Å; K267-E269 IonicContact NZ-OE1 2.72Å; K267-E269 PolarHBondContact O-N 3.01Å; E269-T275 WeakPolarHBondContact O-CB 3.2Å; E269-T275 PolarHBondContact O-OG1 2.97Å
270F98.1Very high97.6Very high20 Ų2054 Ų549%0.08827%0.268CS..G310 helixtrans-102.28.1179.9-57-57.2000114C251 L266 K267 E268 T272 T275 L276 E279C251-F270 HydrophobicContact CB-CD2 4.02Å; C251-F270 HydrophobicContact CB-CG 4.34Å; L266-F270 HydrophobicContact CD1-CB 4.14Å; L266-F270 WeakPolarHBondContact CD2-O 3.24Å; L266-F270 HydrophobicContact CG-CB 4.17Å; K267-F270 HydrophobicContact CB-CD2 4.06Å; K267-F270 HydrophobicContact CD-CD2 4.34Å; K267-F270 HydrophobicContact CD-CE2 4.15Å; K267-F270 PolarHBondContact O-N 3.31Å; E268-F270 PolarHBondContact O-N 3.14Å; E268-F270 VanDerWaalsContact O-N 3.12Å; F270-T272 PolarHBondContact O-N 3.07Å; F270-T275 WeakPolarHBondContact CA-OG1 3.29Å; F270-L276 HydrophobicContact CB-CD1 4.35Å; F270-E279 HydrophobicContact CD1-CB 4.03Å; F270-E279 HydrophobicContact CD1-CG 4.31Å; F270-E279 HydrophobicContact CE1-CB 3.61Å; F270-E279 HydrophobicContact CE1-CG 3.52Å; F270-E279 HydrophobicContact CZ-CB 4.3Å; F270-E279 HydrophobicContact CZ-CG 3.7Å
271R97.4Very high97.9Very high65 Ų6549.8 Ų49.825%0.24525%0.246CC..  trans-80.528.5178.7-63.2176.8-176.5-166.810.8114.3E209 G211 L266 E268E209-R271 WeakPolarHBondContact O-CD 3.39Å; G211-R271 VanDerWaalsContact CA-NH2 3.31Å; L266-R271 HydrophobicContact CD2-CG 4.27Å; L266-R271 HydrophobicContact CG-CG 4.43Å; L266-R271 PolarHBondContact O-NE 2.92Å; L266-R271 VanDerWaalsContact O-NE 3.16Å; L266-R271 PolarHBondContact O-NH2 3.48Å; E268-R271 WeakPolarHBondContact O-CB 3.47Å; E268-R271 PolarHBondContact O-N 2.82Å; E268-R271 VanDerWaalsContact O-N 3.12Å
272T98.1Very high98.1Very high69 Ų6947.3 Ų47.342%0.42323%0.229SC..SBendtrans-133.1151.3167.778.20000109.3F270 E274 T275 L276F270-T272 PolarHBondContact O-N 3.07Å; T272-E274 VanDerWaalsContact C-N 3.28Å; T272-E274 PolarHBondContact O-N 2.79Å; T272-T275 PolarHBondContact O-N 2.96Å; T272-T275 PolarHBondContact O-OG1 3.41Å; T272-T275 PolarHBondContact OG1-N 3.38Å; T272-T275 VanDerWaalsContact OG1-N 3.15Å; T272-T275 PolarHBondContact OG1-OG1 2.97Å; T272-L276 VanDerWaalsContact O-CB 3.29Å; T272-L276 WeakPolarHBondContact O-CB 3.11Å; T272-L276 PolarHBondContact O-N 2.85Å
273Y98.4Very high98.1Very high40 Ų4046 Ų4616%0.15722%0.217CC..Hα-helixtrans-59.3-41.8177.5176.1-97.4000111.4E198 L201 K202 T275 R277E198-Y273 HydrophobicContact CG-CE2 4.17Å; E198-Y273 WeakPolarHBondContact CG-OH 3.43Å; L201-Y273 HydrophobicContact CB-CE2 4.16Å; K202-Y273 HydrophobicContact CD-CD2 4.35Å; K202-Y273 HydrophobicContact CD-CE2 4.41Å; K202-Y273 HydrophobicContact CG-CD2 3.55Å; K202-Y273 HydrophobicContact CG-CE2 3.87Å; K202-Y273 HydrophobicContact CG-CG 4.36Å; Y273-T275 PolarHBondContact O-N 3.34Å; Y273-R277 HydrophobicContact CD1-CB 4.49Å; Y273-R277 HydrophobicContact CE1-CB 4.1Å; Y273-R277 HydrophobicContact CE1-CG 4.2Å; Y273-R277 HydrophobicContact CE2-CB 4.3Å; Y273-R277 WeakPolarHBondContact O-CA 3.45Å; Y273-R277 WeakPolarHBondContact O-CB 3.34Å; Y273-R277 PolarHBondContact O-N 3.09Å; Y273-R277 PolarHBondContact OH-NH1 2.64Å
274E97.9Very high98.2Very high116 Ų11644 Ų4454%0.54221%0.207SC..Hα-helixtrans-63.6-42.1-178.6-64.2-55.3128.400113.3T272 R278T272-E274 VanDerWaalsContact C-N 3.28Å; T272-E274 PolarHBondContact O-N 2.79Å; E274-R278 VanDerWaalsContact O-CB 3.24Å; E274-R278 WeakPolarHBondContact O-CB 3.31Å; E274-R278 PolarHBondContact O-N 2.84Å
275T97.9Very high98.1Very high49 Ų4943.9 Ų43.930%0.30121%0.207SC..Hα-helixtrans-75-43.1178.354.60000111.9E269 F270 T272 Y273 R277 R278 E279E269-T275 WeakPolarHBondContact O-CB 3.2Å; E269-T275 PolarHBondContact O-OG1 2.97Å; F270-T275 WeakPolarHBondContact CA-OG1 3.29Å; T272-T275 PolarHBondContact O-N 2.96Å; T272-T275 PolarHBondContact O-OG1 3.41Å; T272-T275 PolarHBondContact OG1-N 3.38Å; T272-T275 VanDerWaalsContact OG1-N 3.15Å; T272-T275 PolarHBondContact OG1-OG1 2.97Å; Y273-T275 PolarHBondContact O-N 3.34Å; T275-R277 VanDerWaalsContact C-N 3.34Å; T275-R277 PolarHBondContact O-N 2.98Å; T275-R278 PolarHBondContact O-N 2.75Å; T275-E279 PolarHBondContact O-N 3.48Å; T275-E279 VanDerWaalsContact O-N 3.08Å
276L98.6Very high98Very high0 Ų045.4 Ų45.40%021%0.213CC..Hα-helixtrans-61-41.8175-175.459000112.3L205 L246 C251 L266 F270 T272 H280L205-L276 HydrophobicContact CB-CD2 4.32Å; L246-L276 HydrophobicContact CD1-CD1 4.23Å; L246-L276 HydrophobicContact CD2-CD1 3.7Å; L246-L276 HydrophobicContact CD2-CG 4.36Å; C251-L276 HydrophobicContact CB-CD1 4.16Å; L266-L276 HydrophobicContact CD1-CD1 4.05Å; L266-L276 HydrophobicContact CD2-CD2 4.49Å; F270-L276 HydrophobicContact CB-CD1 4.35Å; T272-L276 VanDerWaalsContact O-CB 3.29Å; T272-L276 WeakPolarHBondContact O-CB 3.11Å; T272-L276 PolarHBondContact O-N 2.85Å; L276-H280 VanDerWaalsContact O-CB 3.28Å; L276-H280 WeakPolarHBondContact O-CB 3.39Å; L276-H280 PolarHBondContact O-N 2.93Å
277R98.6Very high97.9Very high3 Ų345.4 Ų45.41%0.01121%0.213CC..Hα-helixtrans-69.3-40.8179.7179.962.7-159.9-94.8-3.5111.9Y273 T275 H280 D281 L304 Y305Y273-R277 HydrophobicContact CD1-CB 4.49Å; Y273-R277 HydrophobicContact CE1-CB 4.1Å; Y273-R277 HydrophobicContact CE1-CG 4.2Å; Y273-R277 HydrophobicContact CE2-CB 4.3Å; Y273-R277 WeakPolarHBondContact O-CA 3.45Å; Y273-R277 WeakPolarHBondContact O-CB 3.34Å; Y273-R277 PolarHBondContact O-N 3.09Å; Y273-R277 PolarHBondContact OH-NH1 2.64Å; T275-R277 VanDerWaalsContact C-N 3.34Å; T275-R277 PolarHBondContact O-N 2.98Å; R277-H280 WeakPolarHBondContact O-CB 3.33Å; R277-H280 PolarHBondContact O-N 3.32Å; R277-D281 IonicContact CZ-OD1 3.69Å; R277-D281 IonicContact CZ-OD2 3.76Å; R277-D281 VanDerWaalsContact NE-CG 3.29Å; R277-D281 IonicContact NE-OD1 3.92Å; R277-D281 PolarHBondContact NE-OD1 3.19Å; R277-D281 IonicContact NE-OD2 3.19Å; R277-D281 PolarHBondContact NE-OD2 3.05Å; R277-D281 VanDerWaalsContact NE-OD2 3.14Å; R277-D281 IonicContact NH2-OD1 2.71Å; R277-D281 PolarHBondContact NH2-OD1 3.25Å; R277-D281 IonicContact NH2-OD2 3.4Å; R277-D281 PolarHBondContact NH2-OD2 3.33Å; R277-D281 WeakPolarHBondContact O-CB 3.12Å; R277-D281 PolarHBondContact O-N 2.76Å; R277-L304 PolarHBondContact NH2-O 3.27Å; R277-Y305 VanDerWaalsContact CZ-CE1 3.45Å; R277-Y305 PolarHBondContact NE-OH 3.42Å; R277-Y305 PolarHBondContact NH2-OH 3.35Å
278R98.3Very high97.7Very high80 Ų8042 Ų4230%0.30220%0.198SC..Hα-helixtrans-59.9-45.5174.6-179.7178.8-62.2-77.2-0.7111.7E274 T275 D281 A282 I317E274-R278 VanDerWaalsContact O-CB 3.24Å; E274-R278 WeakPolarHBondContact O-CB 3.31Å; E274-R278 PolarHBondContact O-N 2.84Å; T275-R278 PolarHBondContact O-N 2.75Å; R278-D281 PolarHBondContact O-N 2.68Å; R278-A282 VanDerWaalsContact O-CB 3.27Å; R278-A282 WeakPolarHBondContact O-CB 3.27Å; R278-A282 PolarHBondContact O-N 3.04Å; R278-I317 HydrophobicContact CG-CD1 4.15Å; R278-I317 HydrophobicContact CG-CG1 4.2Å
279E98.3Very high97.3Very high67 Ų6737 Ų3731%0.31318%0.176SC..Hα-helixtrans-69.8-40.1-179.1-155.461.4-140.800112A249 F270 T275 A282 Q283A249-E279 HydrophobicContact CB-CG 4.25Å; F270-E279 HydrophobicContact CD1-CB 4.03Å; F270-E279 HydrophobicContact CD1-CG 4.31Å; F270-E279 HydrophobicContact CE1-CB 3.61Å; F270-E279 HydrophobicContact CE1-CG 3.52Å; F270-E279 HydrophobicContact CZ-CB 4.3Å; F270-E279 HydrophobicContact CZ-CG 3.7Å; T275-E279 PolarHBondContact O-N 3.48Å; T275-E279 VanDerWaalsContact O-N 3.08Å; E279-A282 PolarHBondContact O-N 2.93Å; E279-Q283 WeakPolarHBondContact O-CB 3.48Å; E279-Q283 PolarHBondContact O-N 2.93Å
280H98.6Very high96.8Very high0 Ų036.6 Ų36.60%017%0.174CC..Hα-helixtrans-55.1-50.2169.8164-83.3000112.2Q197 L201 L245 L246 L276 R277 Q283 I284Q197-H280 PolarHBondContact NE2-NE2 3.05Å; L201-H280 HydrophobicContact CD1-CB 4.28Å; L245-H280 WeakPolarHBondContact CD2-NE2 3.47Å; L246-H280 HydrophobicContact CD2-CB 3.94Å; L276-H280 VanDerWaalsContact O-CB 3.28Å; L276-H280 WeakPolarHBondContact O-CB 3.39Å; L276-H280 PolarHBondContact O-N 2.93Å; R277-H280 WeakPolarHBondContact O-CB 3.33Å; R277-H280 PolarHBondContact O-N 3.32Å; H280-Q283 PolarHBondContact O-N 3.29Å; H280-I284 VanDerWaalsContact CE1-CD1 3.47Å; H280-I284 WeakPolarHBondContact CE1-CD1 3.02Å; H280-I284 PolarHBondContact O-N 3.42Å
281D98.6Very high96.4Very high0 Ų037.2 Ų37.20%018%0.183CC..Hα-helixtrans-68.8-41.2-178.6-75.49.6000111.1R277 R278 Q283 I284 V285 L304 Y305 M314 I317R277-D281 IonicContact CZ-OD1 3.69Å; R277-D281 IonicContact CZ-OD2 3.76Å; R277-D281 VanDerWaalsContact NE-CG 3.29Å; R277-D281 IonicContact NE-OD1 3.92Å; R277-D281 PolarHBondContact NE-OD1 3.19Å; R277-D281 IonicContact NE-OD2 3.19Å; R277-D281 PolarHBondContact NE-OD2 3.05Å; R277-D281 VanDerWaalsContact NE-OD2 3.14Å; R277-D281 IonicContact NH2-OD1 2.71Å; R277-D281 PolarHBondContact NH2-OD1 3.25Å; R277-D281 IonicContact NH2-OD2 3.4Å; R277-D281 PolarHBondContact NH2-OD2 3.33Å; R277-D281 WeakPolarHBondContact O-CB 3.12Å; R277-D281 PolarHBondContact O-N 2.76Å; R278-D281 PolarHBondContact O-N 2.68Å; D281-Q283 VanDerWaalsContact C-N 3.3Å; D281-Q283 PolarHBondContact O-N 2.91Å; D281-I284 PolarHBondContact O-N 3.01Å; D281-I284 VanDerWaalsContact O-N 3.07Å; D281-V285 WeakPolarHBondContact O-CG2 3.36Å; D281-V285 PolarHBondContact O-N 3.35Å; D281-L304 HydrophobicContact CB-CD1 4.06Å; D281-Y305 WeakPolarHBondContact OD2-CE2 3.34Å; D281-Y305 PolarHBondContact OD2-OH 3.2Å; D281-M314 HydrophobicContact CB-CE 4.37Å; D281-M314 HydrophobicContact CB-SD 4.35Å; D281-I317 HydrophobicContact CB-CD1 3.8Å
282A98.3Very high95.9Very high12 Ų1234.8 Ų34.810%0.09918%0.178CC..Hα-helixtrans-58-41.1173.800000112.1R278 E279 I284 V285 H286 I317 L321R278-A282 VanDerWaalsContact O-CB 3.27Å; R278-A282 WeakPolarHBondContact O-CB 3.27Å; R278-A282 PolarHBondContact O-N 3.04Å; E279-A282 PolarHBondContact O-N 2.93Å; A282-I284 VanDerWaalsContact C-N 3.34Å; A282-I284 PolarHBondContact O-N 3.31Å; A282-V285 PolarHBondContact O-N 3.44Å; A282-H286 WeakPolarHBondContact O-CB 3.28Å; A282-H286 PolarHBondContact O-N 2.84Å; A282-I317 HydrophobicContact CB-CG2 3.85Å; A282-L321 HydrophobicContact CB-CD1 4.41Å
283Q98.4Very high95.5Very high22 Ų2232.4 Ų32.410%0.10316%0.163CC..Hα-helixtrans-65-34.9174.9-179.162.2101.900112.6L245 R248 A249 E279 H280 D281 H286 I287L245-Q283 HydrophobicContact CD1-CB 4.26Å; L245-Q283 HydrophobicContact CD1-CG 3.58Å; R248-Q283 HydrophobicContact CB-CG 4.27Å; R248-Q283 VanDerWaalsContact CB-OE1 3.32Å; R248-Q283 PolarHBondContact O-OE1 3Å; R248-Q283 VanDerWaalsContact O-OE1 3.13Å; A249-Q283 HydrophobicContact CB-CB 3.66Å; A249-Q283 HydrophobicContact CB-CG 3.93Å; A249-Q283 VanDerWaalsContact N-OE1 3.12Å; E279-Q283 WeakPolarHBondContact O-CB 3.48Å; E279-Q283 PolarHBondContact O-N 2.93Å; H280-Q283 PolarHBondContact O-N 3.29Å; D281-Q283 VanDerWaalsContact C-N 3.3Å; D281-Q283 PolarHBondContact O-N 2.91Å; Q283-H286 PolarHBondContact O-N 2.95Å; Q283-I287 HydrophobicContact CG-CD1 4.26Å; Q283-I287 VanDerWaalsContact O-CG1 3.24Å; Q283-I287 WeakPolarHBondContact O-CG1 3.29Å; Q283-I287 PolarHBondContact O-N 3.32Å
284I98.5Very high95.2Very high0 Ų032.6 Ų32.60%016%0.163CC..Hα-helixtrans-69-40.8173.9-60.1173.7000110.9L180 W181 V184 F191 L245 H280 D281 A282 H286 I287 A288 W300 L304L180-I284 HydrophobicContact CD1-CG2 4.23Å; W181-I284 HydrophobicContact CZ3-CG2 4.31Å; V184-I284 HydrophobicContact CG2-CG2 4.22Å; F191-I284 HydrophobicContact CB-CD1 4.5Å; F191-I284 HydrophobicContact CD2-CD1 4.14Å; L245-I284 HydrophobicContact CD1-CG1 4.25Å; L245-I284 HydrophobicContact CD2-CD1 3.91Å; L245-I284 HydrophobicContact CD2-CG1 3.79Å; H280-I284 VanDerWaalsContact CE1-CD1 3.47Å; H280-I284 WeakPolarHBondContact CE1-CD1 3.02Å; H280-I284 PolarHBondContact O-N 3.42Å; D281-I284 PolarHBondContact O-N 3.01Å; D281-I284 VanDerWaalsContact O-N 3.07Å; A282-I284 VanDerWaalsContact C-N 3.34Å; A282-I284 PolarHBondContact O-N 3.31Å; I284-H286 VanDerWaalsContact C-N 3.34Å; I284-H286 PolarHBondContact O-N 3.48Å; I284-I287 PolarHBondContact O-N 3.44Å; I284-A288 PolarHBondContact O-N 3.1Å; I284-A288 VanDerWaalsContact O-N 3.09Å; I284-W300 HydrophobicContact CG2-CH2 3.96Å; I284-W300 HydrophobicContact CG2-CZ3 3.71Å; I284-L304 HydrophobicContact CD1-CD2 3.72Å; I284-L304 HydrophobicContact CG2-CD2 4.34Å
285V97.8Very high95Very high4 Ų427.9 Ų27.92%0.02414%0.142CC..Hα-helixtrans-60.4-45.3173.9-178.60000110.3D281 A282 I287 A288 M289 W300 M314 I317 I318 L321D281-V285 WeakPolarHBondContact O-CG2 3.36Å; D281-V285 PolarHBondContact O-N 3.35Å; A282-V285 PolarHBondContact O-N 3.44Å; V285-I287 VanDerWaalsContact C-N 3.34Å; V285-I287 PolarHBondContact O-N 2.8Å; V285-A288 WeakPolarHBondContact O-CA 3.14Å; V285-A288 WeakPolarHBondContact O-CB 3.5Å; V285-A288 PolarHBondContact O-N 3.36Å; V285-M289 HydrophobicContact CG1-SD 4.1Å; V285-M289 WeakPolarHBondContact O-CG 3.09Å; V285-M289 PolarHBondContact O-N 3.37Å; V285-W300 HydrophobicContact CB-CZ2 4.15Å; V285-W300 HydrophobicContact CG1-CZ2 4.23Å; V285-W300 HydrophobicContact CG2-CD2 4.12Å; V285-W300 HydrophobicContact CG2-CE3 4.43Å; V285-W300 HydrophobicContact CG2-CH2 4.23Å; V285-W300 HydrophobicContact CG2-CZ2 3.91Å; V285-W300 HydrophobicContact CG2-CZ3 4.49Å; V285-M314 HydrophobicContact CG2-CE 3.49Å; V285-M314 VanDerWaalsContact CG2-CE 3.49Å; V285-I317 HydrophobicContact CB-CG2 4.26Å; V285-I317 HydrophobicContact CG2-CG2 3.89Å; V285-I318 HydrophobicContact CG1-CG1 3.98Å; V285-L321 HydrophobicContact CB-CD1 3.9Å; V285-L321 HydrophobicContact CG1-CD1 3.81Å
286H94.7Very high94.8Very high79 Ų7927.2 Ų27.237%0.36614%0.139SC..Hα-helixtrans-60.2-41177-167.686.4000112.3A282 Q283 I284 A288 M289 E290A282-H286 WeakPolarHBondContact O-CB 3.28Å; A282-H286 PolarHBondContact O-N 2.84Å; Q283-H286 PolarHBondContact O-N 2.95Å; I284-H286 VanDerWaalsContact C-N 3.34Å; I284-H286 PolarHBondContact O-N 3.48Å; H286-A288 VanDerWaalsContact C-N 3.26Å; H286-A288 PolarHBondContact O-N 3.18Å; H286-M289 PolarHBondContact O-N 3.36Å; H286-E290 IonicContact CD2-OE1 3.65Å; H286-E290 IonicContact NE2-OE1 2.63Å; H286-E290 WeakPolarHBondContact O-CG 3.5Å; H286-E290 PolarHBondContact O-N 3.4Å
287I95.6Very high94.7Very high0 Ų028.1 Ų28.10%015%0.145CC..Hα-helixtrans-63-31.9174.6-72.6171.2000112.3A183 V184 L245 Q283 I284 V285 A291A183-I287 HydrophobicContact CB-CG2 4.19Å; V184-I287 HydrophobicContact CG2-CG2 3.77Å; L245-I287 HydrophobicContact CD1-CD1 3.91Å; Q283-I287 HydrophobicContact CG-CD1 4.26Å; Q283-I287 VanDerWaalsContact O-CG1 3.24Å; Q283-I287 WeakPolarHBondContact O-CG1 3.29Å; Q283-I287 PolarHBondContact O-N 3.32Å; I284-I287 PolarHBondContact O-N 3.44Å; V285-I287 VanDerWaalsContact C-N 3.34Å; V285-I287 PolarHBondContact O-N 2.8Å; I287-A291 WeakPolarHBondContact O-CB 3.27Å; I287-A291 PolarHBondContact O-N 2.95Å
288A94.3Very high94.6Very high0 Ų031.9 Ų31.90%016%0.162CC..Hα-helixtrans-71.6-42.117400000111.8L180 I284 V285 H286 A291 G292 L293 I295 W300L180-A288 HydrophobicContact CD1-CB 3.81Å; I284-A288 PolarHBondContact O-N 3.1Å; I284-A288 VanDerWaalsContact O-N 3.09Å; V285-A288 WeakPolarHBondContact O-CA 3.14Å; V285-A288 WeakPolarHBondContact O-CB 3.5Å; V285-A288 PolarHBondContact O-N 3.36Å; H286-A288 VanDerWaalsContact C-N 3.26Å; H286-A288 PolarHBondContact O-N 3.18Å; A288-A291 CarbonylContact O-C 3.53Å; A288-A291 WeakPolarHBondContact O-CA 3.3Å; A288-A291 WeakPolarHBondContact O-CB 3.41Å; A288-A291 PolarHBondContact O-N 3.46Å; A288-G292 PolarHBondContact O-N 3.27Å; A288-L293 HydrophobicContact CB-CB 4.17Å; A288-L293 WeakPolarHBondContact O-CB 3.37Å; A288-L293 PolarHBondContact O-N 3.34Å; A288-I295 HydrophobicContact CB-CD1 4.36Å; A288-W300 HydrophobicContact CB-CH2 3.71Å; A288-W300 HydrophobicContact CB-CZ2 3.61Å
289M90Very high94.5Very high51 Ų5131.9 Ų31.925%0.25117%0.166SC..Hα-helixtrans-61.6-49.3175.1-65167.669.900111.1V285 H286 A291 G292 L321V285-M289 HydrophobicContact CG1-SD 4.1Å; V285-M289 WeakPolarHBondContact O-CG 3.09Å; V285-M289 PolarHBondContact O-N 3.37Å; H286-M289 PolarHBondContact O-N 3.36Å; M289-A291 PolarHBondContact O-N 2.85Å; M289-G292 PolarHBondContact O-N 2.95Å; M289-L321 HydrophobicContact CE-CB 4.5Å; M289-L321 HydrophobicContact SD-CB 4.24Å; M289-L321 HydrophobicContact SD-CD1 4.41Å
290E87.4Confident94.5Very high91 Ų9128.9 Ų28.943%0.42515%0.151SC..THydrogen-bonded Turntrans-57.6-17.8171.8-70.9-177.9155.600113.6R187 R248 H286R187-E290 IonicContact CZ-OE2 2.74Å; R187-E290 IonicContact NE-OE2 3.4Å; R187-E290 PolarHBondContact NE-OE2 3.03Å; R187-E290 IonicContact NH2-OE2 2.77Å; R187-E290 PolarHBondContact NH2-OE2 3.16Å; R248-E290 IonicContact NH2-OE1 2.66Å; R248-E290 IonicContact NH2-OE2 3.2Å; H286-E290 IonicContact CD2-OE1 3.65Å; H286-E290 IonicContact NE2-OE1 2.63Å; H286-E290 WeakPolarHBondContact O-CG 3.5Å; H286-E290 PolarHBondContact O-N 3.4Å
291A88.9Confident94.5Very high33 Ų3328.9 Ų28.927%0.27315%0.151SC..THydrogen-bonded Turntrans-100.23.5177.800000113.6A183 I287 A288 M289 L293A183-A291 HydrophobicContact CB-CB 3.72Å; I287-A291 WeakPolarHBondContact O-CB 3.27Å; I287-A291 PolarHBondContact O-N 2.95Å; A288-A291 CarbonylContact O-C 3.53Å; A288-A291 WeakPolarHBondContact O-CA 3.3Å; A288-A291 WeakPolarHBondContact O-CB 3.41Å; A288-A291 PolarHBondContact O-N 3.46Å; M289-A291 PolarHBondContact O-N 2.85Å; A291-L293 VanDerWaalsContact C-N 3.32Å; A291-L293 HydrophobicContact CB-CD1 4.15Å; A291-L293 HydrophobicContact CB-CG 4.05Å
292G86.6Confident94.4Very high15 Ų1532.1 Ų32.116%0.15517%0.174CC..THydrogen-bonded Turntrans7023.8-176.200000114A288 M289A288-G292 PolarHBondContact O-N 3.27Å; M289-G292 PolarHBondContact O-N 2.95Å
293L90.5Very high94.4Very high18 Ų1833.2 Ų33.29%0.09418%0.178CC..  trans-100.5114.7-176.1-58.4178.7000111.3L176 N179 L180 A288 A291 I295L176-L293 HydrophobicContact CD1-CB 4.3Å; L176-L293 HydrophobicContact CD1-CD2 4.09Å; N179-L293 HydrophobicContact CB-CD1 4.1Å; N179-L293 HydrophobicContact CB-CD2 4.18Å; L180-L293 HydrophobicContact CB-CD1 4.15Å; A288-L293 HydrophobicContact CB-CB 4.17Å; A288-L293 WeakPolarHBondContact O-CB 3.37Å; A288-L293 PolarHBondContact O-N 3.34Å; A291-L293 VanDerWaalsContact C-N 3.32Å; A291-L293 HydrophobicContact CB-CD1 4.15Å; A291-L293 HydrophobicContact CB-CG 4.05Å; L293-I295 HydrophobicContact CB-CD1 4.42Å
294R91.6Very high94.4Very high45 Ų4532.2 Ų32.217%0.1717%0.174CC..  trans-98.3109.9176.3-57.2-60.5176.5117.7-15.9109.3T164 I167 L168 Q171 S330 E333T164-R294 PolarHBondContact OG1-NH1 2.82Å; I167-R294 HydrophobicContact CB-CG 4.41Å; I167-R294 HydrophobicContact CG2-CG 3.72Å; L168-R294 HydrophobicContact CD2-CB 3.86Å; L168-R294 HydrophobicContact CG-CB 4.28Å; Q171-R294 PolarHBondContact NE2-O 3.29Å; Q171-R294 PolarHBondContact OE1-O 3.16Å; R294-S330 PolarHBondContact NH2-OG 3.23Å; R294-E333 IonicContact CZ-OE1 2.63Å; R294-E333 IonicContact CZ-OE2 2.71Å; R294-E333 VanDerWaalsContact CZ-OE2 3.31Å; R294-E333 IonicContact NE-OE2 3.61Å; R294-E333 PolarHBondContact NE-OE2 3.38Å; R294-E333 IonicContact NH2-OE1 2.77Å; R294-E333 PolarHBondContact NH2-OE1 3.49Å; R294-E333 IonicContact NH2-OE2 2.88Å; R294-E333 PolarHBondContact NH2-OE2 2.83Å
295I94.1Very high94.4Very high17 Ų1733.8 Ų33.89%0.08718%0.18CC..  trans-122.3133.8-172.7-61.4175.9000108.9L176 L180 A288 L293 Q299 W300 L303L176-I295 HydrophobicContact CD1-CD1 4.13Å; L176-I295 HydrophobicContact CD1-CG1 3.77Å; L176-I295 HydrophobicContact CD2-CG1 4.09Å; L176-I295 HydrophobicContact CG-CD1 4.33Å; L176-I295 HydrophobicContact CG-CG1 4.01Å; L180-I295 HydrophobicContact CB-CD1 4.36Å; L180-I295 HydrophobicContact CD1-CD1 4.37Å; L180-I295 HydrophobicContact CD2-CD1 4.03Å; L180-I295 HydrophobicContact CG-CD1 4.49Å; A288-I295 HydrophobicContact CB-CD1 4.36Å; L293-I295 HydrophobicContact CB-CD1 4.42Å; I295-Q299 HydrophobicContact CG2-CB 3.56Å; I295-W300 HydrophobicContact CB-CD2 4.39Å; I295-W300 HydrophobicContact CB-CZ2 4.05Å; I295-W300 HydrophobicContact CD1-CH2 4.07Å; I295-W300 HydrophobicContact CD1-CZ2 3.83Å; I295-W300 HydrophobicContact CG1-CZ2 4.42Å; I295-W300 HydrophobicContact CG2-CD2 3.87Å; I295-W300 HydrophobicContact CG2-CG 3.87Å; I295-W300 HydrophobicContact CG2-CZ2 4.35Å; I295-W300 PolarHBondContact O-NE1 2.93Å; I295-L303 HydrophobicContact CG2-CD1 4.07Å
296S93.4Very high94.4Very high35 Ų3536.3 Ų36.325%0.24521%0.207CC..  trans-72.9155.8-17899.70000112.4E298 Q299 W300S296-E298 PolarHBondContact O-N 2.91Å; S296-E298 PolarHBondContact OG-N 2.55Å; S296-E298 PolarHBondContact OG-OE2 3.28Å; S296-Q299 WeakPolarHBondContact O-CB 3.43Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-Q299 VanDerWaalsContact O-N 3.09Å; S296-Q299 PolarHBondContact OG-N 3.46Å; S296-W300 VanDerWaalsContact O-CD1 3.22Å; S296-W300 PolarHBondContact O-N 3.48Å
297P96.4Very high94.5Very high18 Ų1834.9 Ų34.912%0.11720%0.202CC..Hα-helixtrans-57.9-28.8175.1-19.127.5000113.8S301 K311 M314 Q315 I318P297-S301 WeakPolarHBondContact O-CB 3.44Å; P297-S301 PolarHBondContact O-N 3.05Å; P297-K311 HydrophobicContact CB-CG 4.07Å; P297-K311 WeakPolarHBondContact CB-O 3.42Å; P297-M314 HydrophobicContact CB-CB 4.3Å; P297-Q315 HydrophobicContact CB-CB 4.13Å; P297-Q315 HydrophobicContact CG-CB 4.11Å; P297-Q315 VanDerWaalsContact CG-OE1 3.23Å; P297-I318 HydrophobicContact CB-CD1 4.42Å; P297-I318 HydrophobicContact CG-CD1 4.02Å
298E96.6Very high94.6Very high83 Ų8340.6 Ų40.639%0.38823%0.232SC..Hα-helixtrans-73.2-42175.8-59.5132158.200111.4S296 W300 S301 S302 L308 K311S296-E298 PolarHBondContact O-N 2.91Å; S296-E298 PolarHBondContact OG-N 2.55Å; S296-E298 PolarHBondContact OG-OE2 3.28Å; E298-W300 VanDerWaalsContact C-N 3.33Å; E298-S301 PolarHBondContact O-N 2.92Å; E298-S302 WeakPolarHBondContact O-CB 3.5Å; E298-S302 PolarHBondContact O-N 3.47Å; E298-L308 HydrophobicContact CB-CD2 4.31Å; E298-K311 HydrophobicContact CG-CD 3.61Å; E298-K311 HydrophobicContact CG-CG 4.01Å; E298-K311 WeakPolarHBondContact OE1-CE 3.41Å; E298-K311 IonicContact OE1-NZ 2.73Å; E298-K311 PolarHBondContact OE1-NZ 2.88Å
299Q96.6Very high94.7Very high79 Ų7946 Ų4637%0.36926%0.264SS..Hα-helixtrans-63.4-41.3173.3-67.9175.5-40.400110.6I295 S296 S302 L303I295-Q299 HydrophobicContact CG2-CB 3.56Å; S296-Q299 WeakPolarHBondContact O-CB 3.43Å; S296-Q299 PolarHBondContact O-N 2.99Å; S296-Q299 VanDerWaalsContact O-N 3.09Å; S296-Q299 PolarHBondContact OG-N 3.46Å; Q299-S302 PolarHBondContact O-N 2.93Å; Q299-L303 WeakPolarHBondContact O-CB 3.44Å; Q299-L303 WeakPolarHBondContact O-CD1 3.27Å; Q299-L303 WeakPolarHBondContact O-CG 3.33Å; Q299-L303 PolarHBondContact O-N 3.47Å
300W98.1Very high95.1Very high4 Ų446.2 Ų46.22%0.01527%0.265CS..Hα-helixtrans-61.8-45.9174.6-81.3120.2000113.3L180 I284 V285 A288 I295 S296 E298 S302 L303 L304 M314L180-W300 HydrophobicContact CD1-CH2 3.78Å; L180-W300 HydrophobicContact CD1-CZ3 4.29Å; L180-W300 HydrophobicContact CD2-CH2 4.01Å; L180-W300 HydrophobicContact CD2-CZ3 3.78Å; I284-W300 HydrophobicContact CG2-CH2 3.96Å; I284-W300 HydrophobicContact CG2-CZ3 3.71Å; V285-W300 HydrophobicContact CB-CZ2 4.15Å; V285-W300 HydrophobicContact CG1-CZ2 4.23Å; V285-W300 HydrophobicContact CG2-CD2 4.12Å; V285-W300 HydrophobicContact CG2-CE3 4.43Å; V285-W300 HydrophobicContact CG2-CH2 4.23Å; V285-W300 HydrophobicContact CG2-CZ2 3.91Å; V285-W300 HydrophobicContact CG2-CZ3 4.49Å; A288-W300 HydrophobicContact CB-CH2 3.71Å; A288-W300 HydrophobicContact CB-CZ2 3.61Å; I295-W300 HydrophobicContact CB-CD2 4.39Å; I295-W300 HydrophobicContact CB-CZ2 4.05Å; I295-W300 HydrophobicContact CD1-CH2 4.07Å; I295-W300 HydrophobicContact CD1-CZ2 3.83Å; I295-W300 HydrophobicContact CG1-CZ2 4.42Å; I295-W300 HydrophobicContact CG2-CD2 3.87Å; I295-W300 HydrophobicContact CG2-CG 3.87Å; I295-W300 HydrophobicContact CG2-CZ2 4.35Å; I295-W300 PolarHBondContact O-NE1 2.93Å; S296-W300 VanDerWaalsContact O-CD1 3.22Å; S296-W300 PolarHBondContact O-N 3.48Å; E298-W300 VanDerWaalsContact C-N 3.33Å; W300-S302 VanDerWaalsContact C-N 3.29Å; W300-S302 PolarHBondContact O-N 3.45Å; W300-L303 PolarHBondContact O-N 3.31Å; W300-L304 HydrophobicContact CE3-CD1 3.68Å; W300-L304 HydrophobicContact CE3-CG 3.99Å; W300-L304 HydrophobicContact CZ3-CD1 4.1Å; W300-L304 HydrophobicContact CZ3-CG 4.39Å; W300-L304 WeakPolarHBondContact O-CB 3.39Å; W300-L304 PolarHBondContact O-N 2.94Å; W300-M314 HydrophobicContact CB-CB 3.86Å; W300-M314 HydrophobicContact CB-CE 3.91Å; W300-M314 HydrophobicContact CB-CG 3.72Å; W300-M314 HydrophobicContact CB-SD 4.45Å; W300-M314 HydrophobicContact CD2-CE 4.27Å; W300-M314 HydrophobicContact CE3-CE 4.49Å; W300-M314 HydrophobicContact CG-CE 4.06Å
301S98.1Very high95.6Very high0 Ų046.1 Ų46.10%026%0.263CS..Hα-helixtrans-55.1-47.3173.3-165.30000110.8P297 E298 L303 Y305 G306 D307 L308 H310 K311P297-S301 WeakPolarHBondContact O-CB 3.44Å; P297-S301 PolarHBondContact O-N 3.05Å; E298-S301 PolarHBondContact O-N 2.92Å; S301-L303 PolarHBondContact O-N 2.94Å; S301-Y305 WeakPolarHBondContact O-CA 3.46Å; S301-Y305 WeakPolarHBondContact O-CB 3.3Å; S301-Y305 PolarHBondContact O-N 2.97Å; S301-G306 PolarHBondContact O-N 2.98Å; S301-D307 CarbonylContact C-O 3.48Å; S301-D307 WeakPolarHBondContact CB-O 3.4Å; S301-D307 PolarHBondContact OG-O 3.2Å; S301-D307 PolarHBondContact OG-OD1 3.44Å; S301-D307 VanDerWaalsContact OG-OD1 3.12Å; S301-L308 WeakPolarHBondContact OG-CA 3.33Å; S301-H310 WeakPolarHBondContact OG-CA 3.34Å; S301-H310 WeakPolarHBondContact OG-CB 3.5Å; S301-H310 PolarHBondContact OG-N 3.27Å; S301-H310 VanDerWaalsContact OG-N 3.13Å; S301-K311 PolarHBondContact OG-N 3.35Å
302S97.4Very high96Very high69 Ų6948.9 Ų48.948%0.48328%0.28SS..Hα-helixtrans-65.6-36.2177.9-173.80000113.3E298 Q299 W300 G306 D307E298-S302 WeakPolarHBondContact O-CB 3.5Å; E298-S302 PolarHBondContact O-N 3.47Å; Q299-S302 PolarHBondContact O-N 2.93Å; W300-S302 VanDerWaalsContact C-N 3.29Å; W300-S302 PolarHBondContact O-N 3.45Å; S302-G306 VanDerWaalsContact O-CA 3.31Å; S302-G306 WeakPolarHBondContact O-CA 3.43Å; S302-G306 PolarHBondContact O-N 2.88Å; S302-D307 PolarHBondContact N-O 3.38Å; S302-D307 VanDerWaalsContact N-O 3.11Å
303L97.9Very high96.5Very high35 Ų3549.3 Ų49.318%0.18328%0.278CS..Hα-helixtrans-76.2-38.6-179.7-74.6163.6000113.6L180 W181 F191 I295 Q299 W300 S301L180-L303 HydrophobicContact CD2-CD1 3.91Å; W181-L303 HydrophobicContact CZ2-CB 4.26Å; W181-L303 HydrophobicContact CZ2-CD2 4.01Å; F191-L303 VanDerWaalsContact CE1-O 3.22Å; F191-L303 WeakPolarHBondContact CE1-O 3.48Å; I295-L303 HydrophobicContact CG2-CD1 4.07Å; Q299-L303 WeakPolarHBondContact O-CB 3.44Å; Q299-L303 WeakPolarHBondContact O-CD1 3.27Å; Q299-L303 WeakPolarHBondContact O-CG 3.33Å; Q299-L303 PolarHBondContact O-N 3.47Å; W300-L303 PolarHBondContact O-N 3.31Å; S301-L303 PolarHBondContact O-N 2.94Å
304L98.4Very high96.9Very high0 Ų048.5 Ų48.50%027%0.274CS..Hα-helixtrans-102.2-22.2-171.7-62.7178.4000114.2W181 F191 R277 D281 I284 W300 M314W181-L304 HydrophobicContact CH2-CD2 3.97Å; F191-L304 HydrophobicContact CD2-CD2 4.14Å; F191-L304 HydrophobicContact CE2-CD2 3.92Å; F191-L304 HydrophobicContact CZ-CD2 4.12Å; R277-L304 PolarHBondContact NH2-O 3.27Å; D281-L304 HydrophobicContact CB-CD1 4.06Å; I284-L304 HydrophobicContact CD1-CD2 3.72Å; I284-L304 HydrophobicContact CG2-CD2 4.34Å; W300-L304 HydrophobicContact CE3-CD1 3.68Å; W300-L304 HydrophobicContact CE3-CG 3.99Å; W300-L304 HydrophobicContact CZ3-CD1 4.1Å; W300-L304 HydrophobicContact CZ3-CG 4.39Å; W300-L304 WeakPolarHBondContact O-CB 3.39Å; W300-L304 PolarHBondContact O-N 2.94Å; L304-M314 HydrophobicContact CD1-CE 3.73Å; L304-M314 HydrophobicContact CD1-SD 4.02Å
305Y98.3Very high97.1Very high33 Ų3349.9 Ų49.913%0.12928%0.282CS..THydrogen-bonded Turntrans-122.7-26.4-179.6-62.2-97000112.7P194 R277 D281 S301 D307 H310 M314P194-Y305 VanDerWaalsContact CB-O 3.31Å; P194-Y305 WeakPolarHBondContact CB-O 3.45Å; P194-Y305 VanDerWaalsContact CG-C 3.41Å; P194-Y305 WeakPolarHBondContact CG-O 3.24Å; R277-Y305 VanDerWaalsContact CZ-CE1 3.45Å; R277-Y305 PolarHBondContact NE-OH 3.42Å; R277-Y305 PolarHBondContact NH2-OH 3.35Å; D281-Y305 WeakPolarHBondContact OD2-CE2 3.34Å; D281-Y305 PolarHBondContact OD2-OH 3.2Å; S301-Y305 WeakPolarHBondContact O-CA 3.46Å; S301-Y305 WeakPolarHBondContact O-CB 3.3Å; S301-Y305 PolarHBondContact O-N 2.97Å; Y305-D307 VanDerWaalsContact C-N 3.32Å; Y305-D307 WeakPolarHBondContact CB-OD2 3.42Å; Y305-H310 HydrophobicContact CD1-CB 4.19Å; Y305-H310 AromaticContact CD1-CD2 3.42Å; Y305-H310 VanDerWaalsContact CD1-CD2 3.42Å; Y305-H310 WeakPolarHBondContact CD1-CD2 3.43Å; Y305-H310 AromaticContact CD1-CE1 3.37Å; Y305-H310 WeakPolarHBondContact CD1-CE1 3.41Å; Y305-H310 AromaticContact CD1-CG 3.39Å; Y305-H310 AromaticContact CD1-ND1 3.36Å; Y305-H310 WeakPolarHBondContact CD1-ND1 3.49Å; Y305-H310 AromaticContact CD1-NE2 3.43Å; Y305-H310 WeakPolarHBondContact CD1-NE2 3.41Å; Y305-H310 HydrophobicContact CD2-CB 3.57Å; Y305-H310 AromaticContact CD2-CG 3.72Å; Y305-H310 HydrophobicContact CE1-CB 4.37Å; Y305-H310 AromaticContact CE1-CD2 3.27Å; Y305-H310 WeakPolarHBondContact CE1-CD2 3.34Å; Y305-H310 AromaticContact CE1-CE1 3.96Å; Y305-H310 AromaticContact CE1-CG 3.65Å; Y305-H310 AromaticContact CE1-NE2 3.51Å; Y305-H310 HydrophobicContact CE2-CB 3.81Å; Y305-H310 HydrophobicContact CG-CB 3.79Å; Y305-H310 AromaticContact CG-CD2 3.95Å; Y305-H310 AromaticContact CG-CE1 3.9Å; Y305-H310 AromaticContact CG-CG 3.42Å; Y305-H310 VanDerWaalsContact CG-CG 3.42Å; Y305-H310 AromaticContact CG-ND1 3.4Å; Y305-H310 AromaticContact CZ-CD2 3.72Å; Y305-H310 AromaticContact CZ-CG 3.96Å; Y305-M314 HydrophobicContact CE2-SD 4.03Å
306G97.1Very high97.3Very high57 Ų5751.2 Ų51.259%0.58829%0.293SS*.SBendtrans83.110.3-176.100000113.7S301 S302S301-G306 PolarHBondContact O-N 2.98Å; S302-G306 VanDerWaalsContact O-CA 3.31Å; S302-G306 WeakPolarHBondContact O-CA 3.43Å; S302-G306 PolarHBondContact O-N 2.88Å
307D97.1Very high97.5Very high49 Ų4949.8 Ų49.826%0.26228%0.283SS..SBendtrans-132.3-177.2-178.867.953.6000111.7S301 S302 Y305 V309 H310S301-D307 CarbonylContact C-O 3.48Å; S301-D307 WeakPolarHBondContact CB-O 3.4Å; S301-D307 PolarHBondContact OG-O 3.2Å; S301-D307 PolarHBondContact OG-OD1 3.44Å; S301-D307 VanDerWaalsContact OG-OD1 3.12Å; S302-D307 PolarHBondContact N-O 3.38Å; S302-D307 VanDerWaalsContact N-O 3.11Å; Y305-D307 VanDerWaalsContact C-N 3.32Å; Y305-D307 WeakPolarHBondContact CB-OD2 3.42Å; D307-V309 HydrophobicContact CB-CG2 4.37Å; D307-V309 WeakPolarHBondContact OD1-CA 3.45Å; D307-V309 WeakPolarHBondContact OD1-CB 3.22Å; D307-V309 PolarHBondContact OD1-N 3.01Å; D307-H310 VanDerWaalsContact CG-ND1 3.29Å; D307-H310 IonicContact OD1-CE1 3.19Å; D307-H310 IonicContact OD1-CG 2.74Å; D307-H310 PolarHBondContact OD1-N 2.86Å; D307-H310 IonicContact OD1-ND1 3.77Å; D307-H310 PolarHBondContact OD1-ND1 3.39Å; D307-H310 IonicContact OD2-CE1 2.74Å; D307-H310 PolarHBondContact OD2-CE1 3.21Å; D307-H310 IonicContact OD2-ND1 2.7Å; D307-H310 PolarHBondContact OD2-ND1 3.29Å
308L97.1Very high97.4Very high120 Ų12050.5 Ų50.563%0.62829%0.285SS*.SBendtrans-112.46.4173-59.1178.2000113.3E298 S301 K311E298-L308 HydrophobicContact CB-CD2 4.31Å; S301-L308 WeakPolarHBondContact OG-CA 3.33Å; L308-K311 WeakPolarHBondContact O-CB 3.28Å
309V97.9Very high97.2Very high113 Ų11350 Ų5069%0.68529%0.285SS*.THydrogen-bonded Turntrans-73.9-40.4-177.3-177.10000110.2D307 K311D307-V309 HydrophobicContact CB-CG2 4.37Å; D307-V309 WeakPolarHBondContact OD1-CA 3.45Å; D307-V309 WeakPolarHBondContact OD1-CB 3.22Å; D307-V309 PolarHBondContact OD1-N 3.01Å; V309-K311 PolarHBondContact O-N 3.49Å; V309-K311 VanDerWaalsContact O-N 3.11Å
310H97.9Very high97Very high57 Ų5754.1 Ų54.126%0.26430%0.302SS..THydrogen-bonded Turntrans-77.38-177.5-59.584.4000114S301 Y305 D307 S312 H313 M314S301-H310 WeakPolarHBondContact OG-CA 3.34Å; S301-H310 WeakPolarHBondContact OG-CB 3.5Å; S301-H310 PolarHBondContact OG-N 3.27Å; S301-H310 VanDerWaalsContact OG-N 3.13Å; Y305-H310 HydrophobicContact CD1-CB 4.19Å; Y305-H310 AromaticContact CD1-CD2 3.42Å; Y305-H310 VanDerWaalsContact CD1-CD2 3.42Å; Y305-H310 WeakPolarHBondContact CD1-CD2 3.43Å; Y305-H310 AromaticContact CD1-CE1 3.37Å; Y305-H310 WeakPolarHBondContact CD1-CE1 3.41Å; Y305-H310 AromaticContact CD1-CG 3.39Å; Y305-H310 AromaticContact CD1-ND1 3.36Å; Y305-H310 WeakPolarHBondContact CD1-ND1 3.49Å; Y305-H310 AromaticContact CD1-NE2 3.43Å; Y305-H310 WeakPolarHBondContact CD1-NE2 3.41Å; Y305-H310 HydrophobicContact CD2-CB 3.57Å; Y305-H310 AromaticContact CD2-CG 3.72Å; Y305-H310 HydrophobicContact CE1-CB 4.37Å; Y305-H310 AromaticContact CE1-CD2 3.27Å; Y305-H310 WeakPolarHBondContact CE1-CD2 3.34Å; Y305-H310 AromaticContact CE1-CE1 3.96Å; Y305-H310 AromaticContact CE1-CG 3.65Å; Y305-H310 AromaticContact CE1-NE2 3.51Å; Y305-H310 HydrophobicContact CE2-CB 3.81Å; Y305-H310 HydrophobicContact CG-CB 3.79Å; Y305-H310 AromaticContact CG-CD2 3.95Å; Y305-H310 AromaticContact CG-CE1 3.9Å; Y305-H310 AromaticContact CG-CG 3.42Å; Y305-H310 VanDerWaalsContact CG-CG 3.42Å; Y305-H310 AromaticContact CG-ND1 3.4Å; Y305-H310 AromaticContact CZ-CD2 3.72Å; Y305-H310 AromaticContact CZ-CG 3.96Å; D307-H310 VanDerWaalsContact CG-ND1 3.29Å; D307-H310 IonicContact OD1-CE1 3.19Å; D307-H310 IonicContact OD1-CG 2.74Å; D307-H310 PolarHBondContact OD1-N 2.86Å; D307-H310 IonicContact OD1-ND1 3.77Å; D307-H310 PolarHBondContact OD1-ND1 3.39Å; D307-H310 IonicContact OD2-CE1 2.74Å; D307-H310 PolarHBondContact OD2-CE1 3.21Å; D307-H310 IonicContact OD2-ND1 2.7Å; D307-H310 PolarHBondContact OD2-ND1 3.29Å; H310-S312 VanDerWaalsContact C-N 3.3Å; H310-S312 PolarHBondContact O-N 3.5Å; H310-H313 HydrophobicContact CB-CB 4.47Å; H310-H313 WeakPolarHBondContact O-CB 3.38Å; H310-H313 PolarHBondContact O-N 3.46Å; H310-H313 VanDerWaalsContact O-N 3.12Å; H310-M314 WeakPolarHBondContact O-CG 3.24Å; H310-M314 PolarHBondContact O-N 2.88Å
311K97.4Very high96.6Very high89 Ų8956.2 Ų56.239%0.38731%0.313SS..Hα-helixtrans-49.3-46.5176179.1-176.5176.1167.50112.8P297 E298 S301 L308 V309 M314 Q315P297-K311 HydrophobicContact CB-CG 4.07Å; P297-K311 WeakPolarHBondContact CB-O 3.42Å; E298-K311 HydrophobicContact CG-CD 3.61Å; E298-K311 HydrophobicContact CG-CG 4.01Å; E298-K311 WeakPolarHBondContact OE1-CE 3.41Å; E298-K311 IonicContact OE1-NZ 2.73Å; E298-K311 PolarHBondContact OE1-NZ 2.88Å; S301-K311 PolarHBondContact OG-N 3.35Å; L308-K311 WeakPolarHBondContact O-CB 3.28Å; V309-K311 PolarHBondContact O-N 3.49Å; V309-K311 VanDerWaalsContact O-N 3.11Å; K311-M314 PolarHBondContact O-N 3.18Å; K311-Q315 WeakPolarHBondContact O-CB 3.4Å; K311-Q315 PolarHBondContact O-N 3.25Å
312S97.4Very high96Very high91 Ų9160.9 Ų60.964%0.63634%0.335SS*.Hα-helixtrans-71.1-36.2-179.252.50000112.7H310 S316H310-S312 VanDerWaalsContact C-N 3.3Å; H310-S312 PolarHBondContact O-N 3.5Å; S312-S316 WeakPolarHBondContact O-CB 3.29Å; S312-S316 PolarHBondContact O-N 2.93Å
313H97.6Very high95.4Very high24 Ų2459.6 Ų59.611%0.11133%0.326CS..Hα-helixtrans-61.1-48.1172.6-176.5118.8000110.5H310 S316 I317H310-H313 HydrophobicContact CB-CB 4.47Å; H310-H313 WeakPolarHBondContact O-CB 3.38Å; H310-H313 PolarHBondContact O-N 3.46Å; H310-H313 VanDerWaalsContact O-N 3.12Å; H313-S316 PolarHBondContact O-N 3.3Å; H313-I317 WeakPolarHBondContact NE2-CD1 3.2Å; H313-I317 PolarHBondContact O-N 2.85Å
314M98.2Very high94.6Very high0 Ų060.2 Ų60.20%033%0.332CS..Hα-helixtrans-68.4-37.8179.8-63.8-50.4-49.600112.7D281 V285 P297 W300 L304 Y305 H310 K311 I317 I318D281-M314 HydrophobicContact CB-CE 4.37Å; D281-M314 HydrophobicContact CB-SD 4.35Å; V285-M314 HydrophobicContact CG2-CE 3.49Å; V285-M314 VanDerWaalsContact CG2-CE 3.49Å; P297-M314 HydrophobicContact CB-CB 4.3Å; W300-M314 HydrophobicContact CB-CB 3.86Å; W300-M314 HydrophobicContact CB-CE 3.91Å; W300-M314 HydrophobicContact CB-CG 3.72Å; W300-M314 HydrophobicContact CB-SD 4.45Å; W300-M314 HydrophobicContact CD2-CE 4.27Å; W300-M314 HydrophobicContact CE3-CE 4.49Å; W300-M314 HydrophobicContact CG-CE 4.06Å; L304-M314 HydrophobicContact CD1-CE 3.73Å; L304-M314 HydrophobicContact CD1-SD 4.02Å; Y305-M314 HydrophobicContact CE2-SD 4.03Å; H310-M314 WeakPolarHBondContact O-CG 3.24Å; H310-M314 PolarHBondContact O-N 2.88Å; K311-M314 PolarHBondContact O-N 3.18Å; M314-I317 HydrophobicContact CE-CD1 4.21Å; M314-I317 PolarHBondContact O-N 3.09Å; M314-I317 HydrophobicContact SD-CD1 4.23Å; M314-I318 WeakPolarHBondContact O-CD1 3.2Å; M314-I318 VanDerWaalsContact O-CG1 3.26Å; M314-I318 WeakPolarHBondContact O-CG1 3.01Å; M314-I318 PolarHBondContact O-N 3.43Å
315Q96.8Very high94Very high74 Ų7464.7 Ų64.735%0.34635%0.353SS..Hα-helixtrans-57.3-49.7170.7-178.365.970.500110.5P297 K311 I317 I318 D319P297-Q315 HydrophobicContact CB-CB 4.13Å; P297-Q315 HydrophobicContact CG-CB 4.11Å; P297-Q315 VanDerWaalsContact CG-OE1 3.23Å; K311-Q315 WeakPolarHBondContact O-CB 3.4Å; K311-Q315 PolarHBondContact O-N 3.25Å; Q315-I317 VanDerWaalsContact C-N 3.27Å; Q315-I317 PolarHBondContact O-N 3.25Å; Q315-I318 PolarHBondContact O-N 3.4Å; Q315-I318 VanDerWaalsContact O-N 3.08Å; Q315-D319 WeakPolarHBondContact CG-OD2 3.39Å; Q315-D319 PolarHBondContact NE2-OD1 3.07Å; Q315-D319 PolarHBondContact NE2-OD2 3.04Å; Q315-D319 VanDerWaalsContact O-CG 3.27Å; Q315-D319 PolarHBondContact O-N 3.29Å; Q315-D319 VanDerWaalsContact O-OD2 3.12Å
316S97.4Very high93.6Very high46 Ų4663.9 Ų63.932%0.32235%0.352SS..Hα-helixtrans-61.7-29.6177.61760000114S312 H313 K320S312-S316 WeakPolarHBondContact O-CB 3.29Å; S312-S316 PolarHBondContact O-N 2.93Å; H313-S316 PolarHBondContact O-N 3.3Å; S316-K320 WeakPolarHBondContact O-CB 3.48Å; S316-K320 VanDerWaalsContact O-CG 3.31Å; S316-K320 WeakPolarHBondContact O-CG 3.46Å; S316-K320 PolarHBondContact O-N 2.89Å
317I97.3Very high93.4Very high5 Ų561.1 Ų61.13%0.02632%0.324CS..Hα-helixtrans-69.9-48.6171-75.3177.7000110.7R278 D281 A282 V285 H313 M314 Q315 D319 K320 L321R278-I317 HydrophobicContact CG-CD1 4.15Å; R278-I317 HydrophobicContact CG-CG1 4.2Å; D281-I317 HydrophobicContact CB-CD1 3.8Å; A282-I317 HydrophobicContact CB-CG2 3.85Å; V285-I317 HydrophobicContact CB-CG2 4.26Å; V285-I317 HydrophobicContact CG2-CG2 3.89Å; H313-I317 WeakPolarHBondContact NE2-CD1 3.2Å; H313-I317 PolarHBondContact O-N 2.85Å; M314-I317 HydrophobicContact CE-CD1 4.21Å; M314-I317 PolarHBondContact O-N 3.09Å; M314-I317 HydrophobicContact SD-CD1 4.23Å; Q315-I317 VanDerWaalsContact C-N 3.27Å; Q315-I317 PolarHBondContact O-N 3.25Å; I317-D319 VanDerWaalsContact C-N 3.29Å; I317-D319 PolarHBondContact O-N 2.99Å; I317-K320 PolarHBondContact O-N 3.43Å; I317-L321 HydrophobicContact CG2-CD1 3.79Å; I317-L321 WeakPolarHBondContact O-CG 3.36Å; I317-L321 PolarHBondContact O-N 3.05Å
318I94.5Very high93.3Very high33 Ų3360.3 Ų60.317%0.16932%0.324CS..Hα-helixtrans-61.9-37.6-178.7-67.1158.7000111.4V285 P297 M314 Q315 L321 Q322V285-I318 HydrophobicContact CG1-CG1 3.98Å; P297-I318 HydrophobicContact CB-CD1 4.42Å; P297-I318 HydrophobicContact CG-CD1 4.02Å; M314-I318 WeakPolarHBondContact O-CD1 3.2Å; M314-I318 VanDerWaalsContact O-CG1 3.26Å; M314-I318 WeakPolarHBondContact O-CG1 3.01Å; M314-I318 PolarHBondContact O-N 3.43Å; Q315-I318 PolarHBondContact O-N 3.4Å; Q315-I318 VanDerWaalsContact O-N 3.08Å; I318-L321 PolarHBondContact O-N 2.97Å; I318-Q322 PolarHBondContact O-N 3.19Å; I318-Q322 PolarHBondContact O-NE2 3.29Å
319D92.2Very high93Very high73 Ų7359.4 Ų59.439%0.3932%0.315SS..Hα-helixtrans-73.6-32.9178-60.8-31.1000112.5Q315 I317 L321 Q322Q315-D319 WeakPolarHBondContact CG-OD2 3.39Å; Q315-D319 PolarHBondContact NE2-OD1 3.07Å; Q315-D319 PolarHBondContact NE2-OD2 3.04Å; Q315-D319 VanDerWaalsContact O-CG 3.27Å; Q315-D319 PolarHBondContact O-N 3.29Å; Q315-D319 VanDerWaalsContact O-OD2 3.12Å; I317-D319 VanDerWaalsContact C-N 3.29Å; I317-D319 PolarHBondContact O-N 2.99Å; D319-L321 VanDerWaalsContact C-N 3.3Å; D319-L321 PolarHBondContact O-N 2.95Å; D319-Q322 PolarHBondContact O-N 3.23Å; D319-Q322 PolarHBondContact OD1-NE2 3.02Å
320K92.8Very high92.8Very high164 Ų16454.1 Ų54.171%0.71328%0.283SS*.Hα-helixtrans-73.7-18171.7-76.8-174.4174.3-161.80114.2S316 I317S316-K320 WeakPolarHBondContact O-CB 3.48Å; S316-K320 VanDerWaalsContact O-CG 3.31Å; S316-K320 WeakPolarHBondContact O-CG 3.46Å; S316-K320 PolarHBondContact O-N 2.89Å; I317-K320 PolarHBondContact O-N 3.43Å
321L88.8Confident92.7Very high49 Ų4951.6 Ų51.626%0.25727%0.272SS..THydrogen-bonded Turntrans-92.6-1.8175.7-70.2171.3000113.2A282 V285 M289 I317 I318 D319A282-L321 HydrophobicContact CB-CD1 4.41Å; V285-L321 HydrophobicContact CB-CD1 3.9Å; V285-L321 HydrophobicContact CG1-CD1 3.81Å; M289-L321 HydrophobicContact CE-CB 4.5Å; M289-L321 HydrophobicContact SD-CB 4.24Å; M289-L321 HydrophobicContact SD-CD1 4.41Å; I317-L321 HydrophobicContact CG2-CD1 3.79Å; I317-L321 WeakPolarHBondContact O-CG 3.36Å; I317-L321 PolarHBondContact O-N 3.05Å; I318-L321 PolarHBondContact O-N 2.97Å; D319-L321 VanDerWaalsContact C-N 3.3Å; D319-L321 PolarHBondContact O-N 2.95Å
322Q85.9Confident92.4Very high98 Ų9853 Ų5346%0.45828%0.28SS..  trans-81.4113.5168.5-75.3158.661.800109.5I318 D319I318-Q322 PolarHBondContact O-N 3.19Å; I318-Q322 PolarHBondContact O-NE2 3.29Å; D319-Q322 PolarHBondContact O-N 3.23Å; D319-Q322 PolarHBondContact OD1-NE2 3.02Å
323S85.9Confident92.2Very high41 Ų4150 Ų5029%0.28726%0.256SS..  trans-107.2165.1167.368.50000109.9E325 S326 K329S323-E325 WeakPolarHBondContact CB-OE2 3.42Å; S323-E325 PolarHBondContact O-N 3.45Å; S323-E325 VanDerWaalsContact O-N 3.12Å; S323-E325 PolarHBondContact OG-OE2 3.29Å; S323-S326 WeakPolarHBondContact O-CB 3.28Å; S323-S326 PolarHBondContact O-N 2.97Å; S323-S326 PolarHBondContact O-OG 3.4Å; S323-K329 PolarHBondContact OG-NZ 3.44Å
324P80.4Confident91.9Very high48 Ų4849.1 Ų49.131%0.31225%0.252SS..THydrogen-bonded Turntrans-55.2-33.8-179.8-27.336.5000113.8R156 S326 H362R156-P324 PolarHBondContact NH2-O 2.92Å; P324-S326 PolarHBondContact O-N 2.9Å; P324-H362 WeakPolarHBondContact CG-CD2 3.49Å
325E86.6Confident91.7Very high94 Ų9450.1 Ų50.144%0.43926%0.258SS..THydrogen-bonded Turntrans-78.31.1176.6-23.969.5-131.900113.8S323 F327 A328 K329S323-E325 WeakPolarHBondContact CB-OE2 3.42Å; S323-E325 PolarHBondContact O-N 3.45Å; S323-E325 VanDerWaalsContact O-N 3.12Å; S323-E325 PolarHBondContact OG-OE2 3.29Å; E325-F327 PolarHBondContact O-N 2.8Å; E325-A328 PolarHBondContact O-N 3.48Å; E325-K329 HydrophobicContact CB-CD 4.45Å; E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 WeakPolarHBondContact O-CD 3.44Å; E325-K329 VanDerWaalsContact O-CG 3.28Å; E325-K329 WeakPolarHBondContact O-CG 3.5Å; E325-K329 PolarHBondContact O-N 3.09Å; E325-K329 IonicContact OE2-NZ 2.69Å; E325-K329 PolarHBondContact OE2-NZ 3.23Å
326S89.3Confident91.4Very high16 Ų1651.1 Ų51.111%0.11226%0.264CS..Hα-helixtrans-55.4-40175.261.10000111.7E160 S323 P324 S330E160-S326 PolarHBondContact OE1-OG 3.2Å; S323-S326 WeakPolarHBondContact O-CB 3.28Å; S323-S326 PolarHBondContact O-N 2.97Å; S323-S326 PolarHBondContact O-OG 3.4Å; P324-S326 PolarHBondContact O-N 2.9Å; S326-S330 WeakPolarHBondContact O-CB 3.31Å; S326-S330 PolarHBondContact O-N 3.36Å; S326-S330 PolarHBondContact O-OG 2.86Å
327F93.4Very high91Very high0 Ų050 Ų500%026%0.256CS..Hα-helixtrans-67-49.4178.6-173.9-173.5000110.7R156 E160 V163 E325 K329 S330 V331 L354 L357 A358R156-F327 HydrophobicContact CG-CD1 3.86Å; R156-F327 HydrophobicContact CG-CE1 3.98Å; R156-F327 WeakPolarHBondContact O-CE1 3.27Å; E160-F327 HydrophobicContact CB-CB 4.23Å; E160-F327 HydrophobicContact CB-CD1 3.82Å; E160-F327 HydrophobicContact CB-CD2 3.86Å; E160-F327 HydrophobicContact CB-CE1 4.16Å; E160-F327 HydrophobicContact CB-CE2 4.23Å; E160-F327 HydrophobicContact CB-CG 3.7Å; E160-F327 HydrophobicContact CB-CZ 4.39Å; E160-F327 HydrophobicContact CG-CB 4.02Å; E160-F327 HydrophobicContact CG-CD2 4.14Å; E160-F327 HydrophobicContact CG-CG 3.98Å; E160-F327 VanDerWaalsContact N-CZ 3.28Å; V163-F327 HydrophobicContact CG2-CE2 3.9Å; E325-F327 PolarHBondContact O-N 2.8Å; F327-K329 VanDerWaalsContact C-N 3.33Å; F327-K329 PolarHBondContact O-N 3.5Å; F327-S330 CarbonylContact O-C 3.28Å; F327-S330 WeakPolarHBondContact O-CA 3.47Å; F327-S330 VanDerWaalsContact O-CB 3.27Å; F327-S330 WeakPolarHBondContact O-CB 3.24Å; F327-S330 PolarHBondContact O-N 3.04Å; F327-V331 HydrophobicContact CD2-CG2 3.98Å; F327-V331 HydrophobicContact CE2-CG2 3.82Å; F327-V331 WeakPolarHBondContact O-CG2 3.44Å; F327-V331 PolarHBondContact O-N 2.97Å; F327-L354 HydrophobicContact CE2-CD2 4.29Å; F327-L354 HydrophobicContact CZ-CD2 4.38Å; F327-L357 VanDerWaalsContact CE1-C 3.42Å; F327-L357 HydrophobicContact CE1-CB 3.76Å; F327-L357 WeakPolarHBondContact CE1-O 3.48Å; F327-L357 HydrophobicContact CZ-CB 3.79Å; F327-A358 HydrophobicContact CB-CB 4.3Å; F327-A358 VanDerWaalsContact CD1-CA 3.49Å; F327-A358 HydrophobicContact CD1-CB 3.83Å; F327-A358 HydrophobicContact CD2-CB 4.17Å; F327-A358 HydrophobicContact CE1-CB 4.08Å; F327-A358 HydrophobicContact CE2-CB 4.38Å; F327-A358 HydrophobicContact CG-CB 3.84Å; F327-A358 HydrophobicContact CZ-CB 4.32Å
328A94Very high90.7Very high32 Ų3250 Ų5026%0.26426%0.256SS..Hα-helixtrans-57.8-43.4176.300000112.4E325 S330 V331 Q332 A358E325-A328 PolarHBondContact O-N 3.48Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 2.93Å; A328-V331 PolarHBondContact O-N 3.12Å; A328-Q332 PolarHBondContact O-N 3.31Å; A328-A358 HydrophobicContact CB-CB 4.28Å
329K92Very high90.5Very high100 Ų10055.3 Ų55.344%0.43528%0.28SS..Hα-helixtrans-60.8-40.1172.3-67.9159.3-175.1156.90111.6S323 E325 F327 V331 Q332 E333S323-K329 PolarHBondContact OG-NZ 3.44Å; E325-K329 HydrophobicContact CB-CD 4.45Å; E325-K329 WeakPolarHBondContact O-CB 3.39Å; E325-K329 WeakPolarHBondContact O-CD 3.44Å; E325-K329 VanDerWaalsContact O-CG 3.28Å; E325-K329 WeakPolarHBondContact O-CG 3.5Å; E325-K329 PolarHBondContact O-N 3.09Å; E325-K329 IonicContact OE2-NZ 2.69Å; E325-K329 PolarHBondContact OE2-NZ 3.23Å; F327-K329 VanDerWaalsContact C-N 3.33Å; F327-K329 PolarHBondContact O-N 3.5Å; K329-V331 VanDerWaalsContact C-N 3.35Å; K329-V331 PolarHBondContact O-N 3.12Å; K329-Q332 WeakPolarHBondContact O-CB 3.45Å; K329-Q332 PolarHBondContact O-N 2.97Å; K329-E333 PolarHBondContact O-N 3.48Å
330S92.8Very high90.3Very high3 Ų361.4 Ų61.42%0.02130%0.297CS..Hα-helixtrans-63.6-35.4176.1-56.80000112.9V163 R294 S326 F327 A328 Q332 E333 L334V163-S330 VanDerWaalsContact CG1-O 3.24Å; V163-S330 WeakPolarHBondContact CG1-O 3.42Å; R294-S330 PolarHBondContact NH2-OG 3.23Å; S326-S330 WeakPolarHBondContact O-CB 3.31Å; S326-S330 PolarHBondContact O-N 3.36Å; S326-S330 PolarHBondContact O-OG 2.86Å; F327-S330 CarbonylContact O-C 3.28Å; F327-S330 WeakPolarHBondContact O-CA 3.47Å; F327-S330 VanDerWaalsContact O-CB 3.27Å; F327-S330 WeakPolarHBondContact O-CB 3.24Å; F327-S330 PolarHBondContact O-N 3.04Å; A328-S330 VanDerWaalsContact C-N 3.33Å; A328-S330 PolarHBondContact O-N 2.93Å; S330-Q332 VanDerWaalsContact C-N 3.33Å; S330-E333 PolarHBondContact O-N 3.17Å; S330-L334 WeakPolarHBondContact O-CB 3.44Å; S330-L334 PolarHBondContact O-N 2.65Å
331V94.9Very high90Very high4 Ų456.9 Ų56.92%0.02428%0.284CS..Hα-helixtrans-67.4-36.4175.3179.80000110.9V163 F327 A328 K329 T335 R351 L354 E355V163-V331 HydrophobicContact CG2-CG2 4.16Å; F327-V331 HydrophobicContact CD2-CG2 3.98Å; F327-V331 HydrophobicContact CE2-CG2 3.82Å; F327-V331 WeakPolarHBondContact O-CG2 3.44Å; F327-V331 PolarHBondContact O-N 2.97Å; A328-V331 PolarHBondContact O-N 3.12Å; K329-V331 VanDerWaalsContact C-N 3.35Å; K329-V331 PolarHBondContact O-N 3.12Å; V331-T335 WeakPolarHBondContact O-CB 3.43Å; V331-T335 PolarHBondContact O-N 2.87Å; V331-T335 PolarHBondContact O-OG1 3.38Å; V331-R351 HydrophobicContact CG1-CG 4.37Å; V331-L354 HydrophobicContact CG1-CB 4.1Å; V331-L354 HydrophobicContact CG2-CB 3.81Å; V331-E355 HydrophobicContact CG1-CG 4.16Å
332Q93.1Very high89.9Confident119 Ų11957.6 Ų57.656%0.55630%0.303SS*.Hα-helixtrans-68.5-44.2173.1-62.7173.16.800111.6A328 K329 S330 L334 T335 I336A328-Q332 PolarHBondContact O-N 3.31Å; K329-Q332 WeakPolarHBondContact O-CB 3.45Å; K329-Q332 PolarHBondContact O-N 2.97Å; S330-Q332 VanDerWaalsContact C-N 3.33Å; Q332-L334 PolarHBondContact O-N 2.99Å; Q332-T335 WeakPolarHBondContact O-CB 3.45Å; Q332-T335 PolarHBondContact O-N 3.31Å; Q332-I336 WeakPolarHBondContact O-CG1 3.15Å; Q332-I336 PolarHBondContact O-N 2.81Å
333E91.5Very high90.1Very high27 Ų2754.1 Ų54.113%0.12629%0.288CS..Hα-helixtrans-54.2-49.5171.5-75.6171.6-123.200111.5I167 R294 K329 S330 T335 I336 V337I167-E333 HydrophobicContact CD1-CB 4.03Å; R294-E333 IonicContact CZ-OE1 2.63Å; R294-E333 IonicContact CZ-OE2 2.71Å; R294-E333 VanDerWaalsContact CZ-OE2 3.31Å; R294-E333 IonicContact NE-OE2 3.61Å; R294-E333 PolarHBondContact NE-OE2 3.38Å; R294-E333 IonicContact NH2-OE1 2.77Å; R294-E333 PolarHBondContact NH2-OE1 3.49Å; R294-E333 IonicContact NH2-OE2 2.88Å; R294-E333 PolarHBondContact NH2-OE2 2.83Å; K329-E333 PolarHBondContact O-N 3.48Å; S330-E333 PolarHBondContact O-N 3.17Å; E333-T335 VanDerWaalsContact C-N 3.34Å; E333-T335 PolarHBondContact O-N 3.28Å; E333-I336 PolarHBondContact O-N 2.95Å; E333-V337 WeakPolarHBondContact O-CG2 3.46Å; E333-V337 PolarHBondContact O-N 3.19Å
334L92.4Very high90.3Very high5 Ų556.2 Ų56.23%0.02630%0.3CS..Hα-helixtrans-60.3-43177.3176.261.2000111.5V163 L166 I167 S330 Q332 I336 V337 L338 L354V163-L334 HydrophobicContact CG1-CB 4.02Å; V163-L334 HydrophobicContact CG1-CD2 4.14Å; V163-L334 HydrophobicContact CG2-CD2 4.22Å; L166-L334 HydrophobicContact CB-CD1 3.78Å; L166-L334 HydrophobicContact CB-CD2 4.15Å; L166-L334 HydrophobicContact CD1-CD2 3.79Å; I167-L334 HydrophobicContact CD1-CB 4.25Å; I167-L334 HydrophobicContact CG1-CB 4.02Å; I167-L334 HydrophobicContact CG1-CD1 4.1Å; S330-L334 WeakPolarHBondContact O-CB 3.44Å; S330-L334 PolarHBondContact O-N 2.65Å; Q332-L334 PolarHBondContact O-N 2.99Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.1Å; L334-V337 WeakPolarHBondContact O-CB 3.22Å; L334-V337 PolarHBondContact O-N 3.44Å; L334-V337 VanDerWaalsContact O-N 3.12Å; L334-L338 HydrophobicContact CD1-CD1 4.17Å; L334-L338 HydrophobicContact CD1-CD2 4.34Å; L334-L338 HydrophobicContact CD1-CG 3.98Å; L334-L338 HydrophobicContact CG-CD1 4.02Å; L334-L338 HydrophobicContact CG-CG 4.28Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 3.47Å; L334-L354 HydrophobicContact CD2-CD1 4.13Å
335T92.7Very high90.7Very high22 Ų2255.4 Ų55.414%0.13530%0.297CS..Hα-helixtrans-58.6-43176.7-57.10000111.4V331 Q332 E333 L338 Q339V331-T335 WeakPolarHBondContact O-CB 3.43Å; V331-T335 PolarHBondContact O-N 2.87Å; V331-T335 PolarHBondContact O-OG1 3.38Å; Q332-T335 WeakPolarHBondContact O-CB 3.45Å; Q332-T335 PolarHBondContact O-N 3.31Å; E333-T335 VanDerWaalsContact C-N 3.34Å; E333-T335 PolarHBondContact O-N 3.28Å; T335-L338 PolarHBondContact O-N 3.03Å; T335-Q339 VanDerWaalsContact O-CG 3.29Å; T335-Q339 WeakPolarHBondContact O-CG 3.43Å; T335-Q339 PolarHBondContact O-N 3.06Å
336I91.1Very high91Very high94 Ų9455.9 Ų55.948%0.48230%0.303SS..Hα-helixtrans-65.9-38.3175.9-65.3163000111.2Q332 E333 L334 R340Q332-I336 WeakPolarHBondContact O-CG1 3.15Å; Q332-I336 PolarHBondContact O-N 2.81Å; E333-I336 PolarHBondContact O-N 2.95Å; L334-I336 VanDerWaalsContact C-N 3.31Å; L334-I336 PolarHBondContact O-N 3.1Å; I336-R340 VanDerWaalsContact O-CG 3.26Å; I336-R340 WeakPolarHBondContact O-CG 3.44Å; I336-R340 PolarHBondContact O-N 3.27Å; I336-R340 VanDerWaalsContact O-N 3.15Å
337V89.6Confident91.2Very high23 Ų2355.6 Ų55.614%0.13930%0.3CS..Hα-helixtrans-64.1-46.3175.7168.30000111.2H170 E333 L334 R340 T341H170-V337 HydrophobicContact CB-CG1 3.4Å; E333-V337 WeakPolarHBondContact O-CG2 3.46Å; E333-V337 PolarHBondContact O-N 3.19Å; L334-V337 WeakPolarHBondContact O-CB 3.22Å; L334-V337 PolarHBondContact O-N 3.44Å; L334-V337 VanDerWaalsContact O-N 3.12Å; V337-R340 WeakPolarHBondContact O-CB 3.41Å; V337-R340 PolarHBondContact O-N 2.94Å; V337-R340 VanDerWaalsContact O-N 3.13Å; V337-T341 PolarHBondContact O-N 3.27Å; V337-T341 VanDerWaalsContact O-N 3.09Å; V337-T341 PolarHBondContact O-OG1 2.84Å
338L90.6Very high91.3Very high4 Ų458.7 Ų58.72%0.02132%0.319CS..Hα-helixtrans-63.7-41.8178.5-67.7175.5000112.2L334 T335 R340 T341 G342 D343 L347L334-L338 HydrophobicContact CD1-CD1 4.17Å; L334-L338 HydrophobicContact CD1-CD2 4.34Å; L334-L338 HydrophobicContact CD1-CG 3.98Å; L334-L338 HydrophobicContact CG-CD1 4.02Å; L334-L338 HydrophobicContact CG-CG 4.28Å; L334-L338 VanDerWaalsContact O-CG 3.3Å; L334-L338 WeakPolarHBondContact O-CG 3.47Å; L334-L338 PolarHBondContact O-N 3.47Å; T335-L338 PolarHBondContact O-N 3.03Å; L338-R340 PolarHBondContact O-N 3.13Å; L338-T341 PolarHBondContact O-N 3.41Å; L338-T341 PolarHBondContact O-OG1 3.11Å; L338-G342 PolarHBondContact O-N 2.63Å; L338-D343 HydrophobicContact CB-CB 4.14Å; L338-D343 PolarHBondContact O-N 2.83Å; L338-L347 HydrophobicContact CD1-CB 3.65Å; L338-L347 HydrophobicContact CD2-CB 3.89Å; L338-L347 HydrophobicContact CD2-CD1 3.74Å; L338-L347 HydrophobicContact CD2-CG 4.43Å; L338-L347 HydrophobicContact CG-CB 4.44Å
339Q90.6Very high91.4Very high146 Ų14660 Ų6068%0.68233%0.327SS*.Hα-helixtrans-59-35.8172.6-75.1173.2-1.900112.4T335T335-Q339 VanDerWaalsContact O-CG 3.29Å; T335-Q339 WeakPolarHBondContact O-CG 3.43Å; T335-Q339 PolarHBondContact O-N 3.06Å
340R87.6Confident91.6Very high200 Ų20055.9 Ų55.976%0.75531%0.309SS*.Hα-helixtrans-77.9-20.9178.5-72.4173.363.7177.8-0.3114I336 V337 L338I336-R340 VanDerWaalsContact O-CG 3.26Å; I336-R340 WeakPolarHBondContact O-CG 3.44Å; I336-R340 PolarHBondContact O-N 3.27Å; I336-R340 VanDerWaalsContact O-N 3.15Å; V337-R340 WeakPolarHBondContact O-CB 3.41Å; V337-R340 PolarHBondContact O-N 2.94Å; V337-R340 VanDerWaalsContact O-N 3.13Å; L338-R340 PolarHBondContact O-N 3.13Å
341T86.3Confident91.8Very high69 Ų6960.6 Ų60.642%0.42333%0.326SS..Hα-helixtrans-102.2-7.8177.358.40000113.6V337 L338V337-T341 PolarHBondContact O-N 3.27Å; V337-T341 VanDerWaalsContact O-N 3.09Å; V337-T341 PolarHBondContact O-OG1 2.84Å; L338-T341 PolarHBondContact O-N 3.41Å; L338-T341 PolarHBondContact O-OG1 3.11Å
342G87.9Confident91.9Very high64 Ų6464 Ų6466%0.6635%0.349SS*.THydrogen-bonded Turntrans79.518.6-179.700000114.3L338L338-G342 PolarHBondContact O-N 2.63Å
343D90.3Very high92.2Very high26 Ų2661 Ų6114%0.13934%0.335CS..  trans33.162.7179.7-163.55.1000115.9L338 A345 N346 L347 T348L338-D343 HydrophobicContact CB-CB 4.14Å; L338-D343 PolarHBondContact O-N 2.83Å; D343-A345 PolarHBondContact O-N 3.19Å; D343-N346 PolarHBondContact O-N 3.15Å; D343-N346 VanDerWaalsContact O-N 3.13Å; D343-N346 WeakPolarHBondContact OD1-CA 3.32Å; D343-N346 PolarHBondContact OD1-N 2.74Å; D343-N346 WeakPolarHBondContact OD2-CA 3.49Å; D343-L347 VanDerWaalsContact CG-N 3.3Å; D343-L347 PolarHBondContact OD1-N 3.05Å; D343-L347 PolarHBondContact OD2-N 3.49Å; D343-T348 VanDerWaalsContact OD2-CB 3.27Å; D343-T348 WeakPolarHBondContact OD2-CB 3.35Å; D343-T348 PolarHBondContact OD2-N 3.31Å; D343-T348 PolarHBondContact OD2-OG1 3.05Å
344P88.3Confident92.5Very high84 Ų8459.9 Ų59.955%0.54533%0.33SS..THydrogen-bonded Turntrans-68.6-0.7-175.131.5-38.4000114.1F395P344-F395 HydrophobicContact CB-CE1 4.13Å; P344-F395 HydrophobicContact CG-CD1 4.5Å; P344-F395 HydrophobicContact CG-CE1 4.29Å; P344-F395 WeakPolarHBondContact O-CE1 3.41Å; P344-F395 VanDerWaalsContact O-CZ 3.28Å; P344-F395 WeakPolarHBondContact O-CZ 3.39Å
345A90.7Very high92.7Very high31 Ų3162.7 Ų62.726%0.25634%0.343SS..THydrogen-bonded Turntrans-119.12.1-179.800000113.2D343 L347 F391 F395D343-A345 PolarHBondContact O-N 3.19Å; A345-L347 HydrophobicContact CB-CD1 4.39Å; A345-L347 HydrophobicContact CB-CG 4.05Å; A345-L347 PolarHBondContact O-N 3.05Å; A345-F391 HydrophobicContact CB-CD2 3.54Å; A345-F391 HydrophobicContact CB-CE2 3.84Å; A345-F395 HydrophobicContact CB-CD2 3.99Å; A345-F395 HydrophobicContact CB-CE1 4.17Å; A345-F395 HydrophobicContact CB-CE2 3.49Å; A345-F395 VanDerWaalsContact CB-CE2 3.49Å; A345-F395 HydrophobicContact CB-CZ 3.6Å
346N92.3Very high92.9Very high105 Ų10564.9 Ų64.956%0.56135%0.353SS*.  trans52.936.7-175.5-168.233.5000113.7D343 T348 S349D343-N346 PolarHBondContact O-N 3.15Å; D343-N346 VanDerWaalsContact O-N 3.13Å; D343-N346 WeakPolarHBondContact OD1-CA 3.32Å; D343-N346 PolarHBondContact OD1-N 2.74Å; D343-N346 WeakPolarHBondContact OD2-CA 3.49Å; N346-T348 PolarHBondContact O-N 3.03Å; N346-T348 VanDerWaalsContact O-N 3.17Å; N346-S349 VanDerWaalsContact O-CB 3.29Å; N346-S349 WeakPolarHBondContact O-CB 3.44Å; N346-S349 PolarHBondContact O-N 2.71Å; N346-S349 PolarHBondContact O-OG 3.42Å
347L94.1Very high93.2Very high9 Ų960.4 Ų60.45%0.04733%0.33CS..G310 helixtrans-62.6-18.6176.9-72.6169.3000112.7L166 L338 D343 A345 S349 L350 F391L166-L347 HydrophobicContact CD1-CD2 4.22Å; L166-L347 HydrophobicContact CD2-CD1 3.95Å; L166-L347 HydrophobicContact CD2-CD2 4.06Å; L338-L347 HydrophobicContact CD1-CB 3.65Å; L338-L347 HydrophobicContact CD2-CB 3.89Å; L338-L347 HydrophobicContact CD2-CD1 3.74Å; L338-L347 HydrophobicContact CD2-CG 4.43Å; L338-L347 HydrophobicContact CG-CB 4.44Å; D343-L347 VanDerWaalsContact CG-N 3.3Å; D343-L347 PolarHBondContact OD1-N 3.05Å; D343-L347 PolarHBondContact OD2-N 3.49Å; A345-L347 HydrophobicContact CB-CD1 4.39Å; A345-L347 HydrophobicContact CB-CG 4.05Å; A345-L347 PolarHBondContact O-N 3.05Å; L347-S349 PolarHBondContact O-N 3.13Å; L347-L350 HydrophobicContact CD2-CD1 3.68Å; L347-L350 HydrophobicContact CD2-CG 4.49Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.4Å; L347-F391 HydrophobicContact CD1-CD1 4.41Å; L347-F391 HydrophobicContact CD1-CD2 3.68Å; L347-F391 HydrophobicContact CD1-CE1 4.5Å; L347-F391 HydrophobicContact CD1-CE2 3.78Å; L347-F391 HydrophobicContact CD1-CG 4.01Å; L347-F391 HydrophobicContact CD1-CZ 4.2Å; L347-F391 HydrophobicContact CD2-CB 4.25Å; L347-F391 HydrophobicContact CD2-CD2 4.46Å; L347-F391 HydrophobicContact CD2-CG 4.42Å; L347-F391 HydrophobicContact CG-CD2 4.27Å
348T94.4Very high93.5Very high66 Ų6659.7 Ų59.741%0.40533%0.327SS..G310 helixtrans-56-27169.2-560000111.9D343 N346 L350 R351D343-T348 VanDerWaalsContact OD2-CB 3.27Å; D343-T348 WeakPolarHBondContact OD2-CB 3.35Å; D343-T348 PolarHBondContact OD2-N 3.31Å; D343-T348 PolarHBondContact OD2-OG1 3.05Å; N346-T348 PolarHBondContact O-N 3.03Å; N346-T348 VanDerWaalsContact O-N 3.17Å; T348-L350 PolarHBondContact O-N 3.2Å; T348-R351 WeakPolarHBondContact O-CB 3.48Å; T348-R351 PolarHBondContact O-N 2.75Å; T348-R351 VanDerWaalsContact O-N 3.09Å
349S95.6Very high93.7Very high60 Ų6065.8 Ų65.842%0.4236%0.359SS..G310 helixtrans-63.8-22.2172.465.80000114.4N346 L347 R351 H353N346-S349 VanDerWaalsContact O-CB 3.29Å; N346-S349 WeakPolarHBondContact O-CB 3.44Å; N346-S349 PolarHBondContact O-N 2.71Å; N346-S349 PolarHBondContact O-OG 3.42Å; L347-S349 PolarHBondContact O-N 3.13Å; S349-R351 VanDerWaalsContact C-N 3.27Å; S349-R351 PolarHBondContact O-N 2.81Å; S349-H353 PolarHBondContact O-ND1 3.29Å
350L96.7Very high93.8Very high13 Ų1359.9 Ų59.97%0.06833%0.332CS..G310 helixtrans-76.6-15.6174.8-56-178.1000112.4L166 L347 T348 H353 L354L166-L350 HydrophobicContact CD1-CD1 4.33Å; L347-L350 HydrophobicContact CD2-CD1 3.68Å; L347-L350 HydrophobicContact CD2-CG 4.49Å; L347-L350 WeakPolarHBondContact O-CB 3.45Å; L347-L350 PolarHBondContact O-N 3.4Å; T348-L350 PolarHBondContact O-N 3.2Å; L350-H353 WeakPolarHBondContact O-CB 3.5Å; L350-H353 PolarHBondContact O-N 3.13Å; L350-L354 HydrophobicContact CB-CD1 4.16Å; L350-L354 HydrophobicContact CB-CG 4.43Å; L350-L354 WeakPolarHBondContact O-CG 3.11Å; L350-L354 PolarHBondContact O-N 3.22Å
351R96.6Very high93.7Very high101 Ų10154.2 Ų54.238%0.38132%0.317SS..Hα-helixtrans-51.7-52.6-172.8-177.9176.1169.5-179.1-2.2115.2V331 T348 S349 H353 L354 E355V331-R351 HydrophobicContact CG1-CG 4.37Å; T348-R351 WeakPolarHBondContact O-CB 3.48Å; T348-R351 PolarHBondContact O-N 2.75Å; T348-R351 VanDerWaalsContact O-N 3.09Å; S349-R351 VanDerWaalsContact C-N 3.27Å; S349-R351 PolarHBondContact O-N 2.81Å; R351-H353 VanDerWaalsContact C-N 3.28Å; R351-H353 PolarHBondContact O-N 3.15Å; R351-L354 WeakPolarHBondContact O-CB 3.46Å; R351-L354 PolarHBondContact O-N 3.18Å; R351-L354 VanDerWaalsContact O-N 3.09Å; R351-E355 HydrophobicContact CG-CG 4.24Å; R351-E355 IonicContact CZ-OE1 3.93Å; R351-E355 VanDerWaalsContact NE-CD 3.34Å; R351-E355 IonicContact NE-OE1 3.2Å; R351-E355 PolarHBondContact NE-OE1 3.32Å; R351-E355 IonicContact NE-OE2 3.89Å; R351-E355 PolarHBondContact NE-OE2 3.18Å; R351-E355 IonicContact NH2-OE1 3.71Å; R351-E355 PolarHBondContact NH2-OE1 2.82Å; R351-E355 WeakPolarHBondContact O-CG 3.48Å; R351-E355 PolarHBondContact O-N 3.27Å
352P97.7Very high93.4Very high77 Ų7756.5 Ų56.550%0.532%0.323SS..Hα-helixtrans-62.6-35.6-178.623.4-34000112.5E355 L356P352-E355 PolarHBondContact O-N 3.01Å; P352-L356 WeakPolarHBondContact O-CB 3.37Å; P352-L356 PolarHBondContact O-N 2.94Å
353H98.1Very high93.2Very high56 Ų5656 Ų5626%0.25931%0.305SS..Hα-helixtrans-65.9-39.9174.8-46.599.9000111.4S349 L350 R351 L357 A380 L383 V384S349-H353 PolarHBondContact O-ND1 3.29Å; L350-H353 WeakPolarHBondContact O-CB 3.5Å; L350-H353 PolarHBondContact O-N 3.13Å; R351-H353 VanDerWaalsContact C-N 3.28Å; R351-H353 PolarHBondContact O-N 3.15Å; H353-L357 VanDerWaalsContact O-CG 3.26Å; H353-L357 WeakPolarHBondContact O-CG 3.3Å; H353-L357 PolarHBondContact O-N 3.29Å; H353-A380 HydrophobicContact CB-CB 4.01Å; H353-L383 WeakPolarHBondContact NE2-CD1 2.89Å; H353-V384 HydrophobicContact CB-CG2 3.67Å
354L97.9Very high92.7Very high3 Ų359.2 Ų59.22%0.01633%0.327CS..Hα-helixtrans-68.7-38175.1-70.7173.7000112.9V163 F327 V331 L334 L350 R351 L357 A358 V384V163-L354 HydrophobicContact CG2-CD1 3.76Å; V163-L354 HydrophobicContact CG2-CD2 3.51Å; V163-L354 HydrophobicContact CG2-CG 4.2Å; F327-L354 HydrophobicContact CE2-CD2 4.29Å; F327-L354 HydrophobicContact CZ-CD2 4.38Å; V331-L354 HydrophobicContact CG1-CB 4.1Å; V331-L354 HydrophobicContact CG2-CB 3.81Å; L334-L354 HydrophobicContact CD2-CD1 4.13Å; L350-L354 HydrophobicContact CB-CD1 4.16Å; L350-L354 HydrophobicContact CB-CG 4.43Å; L350-L354 WeakPolarHBondContact O-CG 3.11Å; L350-L354 PolarHBondContact O-N 3.22Å; R351-L354 WeakPolarHBondContact O-CB 3.46Å; R351-L354 PolarHBondContact O-N 3.18Å; R351-L354 VanDerWaalsContact O-N 3.09Å; L354-L357 PolarHBondContact O-N 2.98Å; L354-A358 VanDerWaalsContact O-CB 3.3Å; L354-A358 WeakPolarHBondContact O-CB 3.29Å; L354-A358 PolarHBondContact O-N 3.36Å; L354-V384 HydrophobicContact CD2-CB 4.32Å; L354-V384 HydrophobicContact CD2-CG1 3.56Å; L354-V384 HydrophobicContact CD2-CG2 3.7Å; L354-V384 HydrophobicContact CG-CG2 3.92Å
355E97Very high92.4Very high64 Ų6461.7 Ų61.730%0.29934%0.336SS..Hα-helixtrans-68.1-40.9175.7-72.1173149.100111V331 R351 P352 A358 N359V331-E355 HydrophobicContact CG1-CG 4.16Å; R351-E355 HydrophobicContact CG-CG 4.24Å; R351-E355 IonicContact CZ-OE1 3.93Å; R351-E355 VanDerWaalsContact NE-CD 3.34Å; R351-E355 IonicContact NE-OE1 3.2Å; R351-E355 PolarHBondContact NE-OE1 3.32Å; R351-E355 IonicContact NE-OE2 3.89Å; R351-E355 PolarHBondContact NE-OE2 3.18Å; R351-E355 IonicContact NH2-OE1 3.71Å; R351-E355 PolarHBondContact NH2-OE1 2.82Å; R351-E355 WeakPolarHBondContact O-CG 3.48Å; R351-E355 PolarHBondContact O-N 3.27Å; P352-E355 PolarHBondContact O-N 3.01Å; E355-A358 PolarHBondContact O-N 3.48Å; E355-N359 WeakPolarHBondContact O-CB 3.46Å; E355-N359 PolarHBondContact O-N 2.91Å; E355-N359 PolarHBondContact O-ND2 3.1Å
356L97.3Very high91.9Very high67 Ų6761.4 Ų61.435%0.35133%0.333SS..Hα-helixtrans-58.2-49.6170.9-175.2155.1000111.5P352 A358 N359 I360 V377 A380P352-L356 WeakPolarHBondContact O-CB 3.37Å; P352-L356 PolarHBondContact O-N 2.94Å; L356-A358 VanDerWaalsContact C-N 3.27Å; L356-A358 PolarHBondContact O-N 2.87Å; L356-N359 PolarHBondContact O-N 2.82Å; L356-I360 PolarHBondContact O-N 2.62Å; L356-V377 HydrophobicContact CD2-CB 4.49Å; L356-V377 HydrophobicContact CD2-CG2 3.76Å; L356-A380 HydrophobicContact CD2-CB 3.99Å
357L97.3Very high91.7Very high0 Ų062.2 Ų62.20%034%0.344CS..Hα-helixtrans-65.1-28.6178-68.8174.7000113.1A155 R156 F327 H353 L354 I360 V377 A380 V381 V384A155-L357 HydrophobicContact CB-CD2 4.15Å; R156-L357 WeakPolarHBondContact CG-O 3.35Å; F327-L357 VanDerWaalsContact CE1-C 3.42Å; F327-L357 HydrophobicContact CE1-CB 3.76Å; F327-L357 WeakPolarHBondContact CE1-O 3.48Å; F327-L357 HydrophobicContact CZ-CB 3.79Å; H353-L357 VanDerWaalsContact O-CG 3.26Å; H353-L357 WeakPolarHBondContact O-CG 3.3Å; H353-L357 PolarHBondContact O-N 3.29Å; L354-L357 PolarHBondContact O-N 2.98Å; L357-I360 HydrophobicContact CD2-CD1 3.83Å; L357-V377 HydrophobicContact CD2-CG1 3.92Å; L357-A380 HydrophobicContact CD1-CB 4.39Å; L357-A380 HydrophobicContact CD2-CB 4.19Å; L357-A380 HydrophobicContact CG-CB 4.03Å; L357-V381 HydrophobicContact CD1-CB 4.15Å; L357-V381 HydrophobicContact CD2-CB 4.29Å; L357-V384 HydrophobicContact CD1-CB 4.4Å; L357-V384 HydrophobicContact CD1-CG2 4.16Å
358A95.9Very high91.4Very high9 Ų963.2 Ų63.27%0.07435%0.354CS..Hα-helixtrans-76.9-26.6177.400000113.4F327 A328 L354 E355 L356F327-A358 HydrophobicContact CB-CB 4.3Å; F327-A358 VanDerWaalsContact CD1-CA 3.49Å; F327-A358 HydrophobicContact CD1-CB 3.83Å; F327-A358 HydrophobicContact CD2-CB 4.17Å; F327-A358 HydrophobicContact CE1-CB 4.08Å; F327-A358 HydrophobicContact CE2-CB 4.38Å; F327-A358 HydrophobicContact CG-CB 3.84Å; F327-A358 HydrophobicContact CZ-CB 4.32Å; A328-A358 HydrophobicContact CB-CB 4.28Å; L354-A358 VanDerWaalsContact O-CB 3.3Å; L354-A358 WeakPolarHBondContact O-CB 3.29Å; L354-A358 PolarHBondContact O-N 3.36Å; E355-A358 PolarHBondContact O-N 3.48Å; L356-A358 VanDerWaalsContact C-N 3.27Å; L356-A358 PolarHBondContact O-N 2.87Å
359N94.4Very high91.4Very high131 Ų13161 Ų6170%0.70134%0.341SS*.Hα-helixtrans-85.3-9.6-179.3-68.1-17.3000114.2E355 L356 D361E355-N359 WeakPolarHBondContact O-CB 3.46Å; E355-N359 PolarHBondContact O-N 2.91Å; E355-N359 PolarHBondContact O-ND2 3.1Å; L356-N359 PolarHBondContact O-N 2.82Å; N359-D361 PolarHBondContact O-N 2.79Å
360I93.2Very high91.4Very high22 Ų2260.9 Ų60.911%0.11334%0.34CS..SBendtrans-53.5129.2169.3-71.7166.8000109.5V152 R156 L356 L357 V377V152-I360 HydrophobicContact CG1-CB 4.42Å; V152-I360 HydrophobicContact CG1-CD1 3.98Å; V152-I360 HydrophobicContact CG1-CG1 4.09Å; V152-I360 HydrophobicContact CG1-CG2 3.46Å; V152-I360 VanDerWaalsContact CG1-CG2 3.46Å; R156-I360 HydrophobicContact CB-CB 4.37Å; R156-I360 HydrophobicContact CB-CD1 4Å; R156-I360 HydrophobicContact CB-CG2 4.21Å; R156-I360 PolarHBondContact NH1-O 2.94Å; L356-I360 PolarHBondContact O-N 2.62Å; L357-I360 HydrophobicContact CD2-CD1 3.83Å; I360-V377 HydrophobicContact CD1-CG1 3.76Å; I360-V377 HydrophobicContact CD1-CG2 3.87Å; I360-V377 HydrophobicContact CG1-CG2 4.16Å
361D85.3Confident91.4Very high82 Ų8261.9 Ų61.944%0.43934%0.343SS..  trans-63.8145.5178.2-1661.5000112.2N359 N363 A366N359-D361 PolarHBondContact O-N 2.79Å; D361-N363 PolarHBondContact OD1-N 2.82Å; D361-N363 WeakPolarHBondContact OD2-CB 3.43Å; D361-A366 HydrophobicContact CB-CB 4.23Å
362H81Confident91.3Very high117 Ų11759.3 Ų59.354%0.54234%0.343SS..  trans-84.9-18.417273.2-39.8000113.7R156 P324R156-H362 VanDerWaalsContact NH1-N 3.1Å; P324-H362 WeakPolarHBondContact CG-CD2 3.49Å
363N83.5Confident91.2Very high54 Ų5460.8 Ų60.829%0.28934%0.343SS..  trans-59.7130.1-168.3-174.36.4000111R153 D361 D365 A366R153-N363 PolarHBondContact NH2-O 3.28Å; D361-N363 PolarHBondContact OD1-N 2.82Å; D361-N363 WeakPolarHBondContact OD2-CB 3.43Å; N363-D365 PolarHBondContact O-N 3.06Å; N363-D365 PolarHBondContact OD1-N 3.37Å; N363-A366 HydrophobicContact CB-CB 4.17Å; N363-A366 WeakPolarHBondContact O-CB 3.47Å; N363-A366 PolarHBondContact O-N 2.81Å
364P79.2Confident91.2Very high93 Ų9358.1 Ų58.160%0.60433%0.331SS*.THydrogen-bonded Turntrans-54.5-35.6168.122.1-34.2000112.1R153R153-P364 VanDerWaalsContact NH2-C 3.3Å; R153-P364 VanDerWaalsContact NH2-CA 3.29Å; R153-P364 PolarHBondContact NH2-O 3.11Å
365D81.4Confident91.2Very high135 Ų13559.8 Ų59.872%0.72234%0.339SS*.THydrogen-bonded Turntrans-95.414-173.6-46.1-39000113.1N363N363-D365 PolarHBondContact O-N 3.06Å; N363-D365 PolarHBondContact OD1-N 3.37Å
366A82.1Confident91.2Very high25 Ų2559.4 Ų59.421%0.20734%0.343CS..PPolyproline II helixtrans-61.9142.9171.200000110.6D361 N363D361-A366 HydrophobicContact CB-CB 4.23Å; N363-A366 HydrophobicContact CB-CB 4.17Å; N363-A366 WeakPolarHBondContact O-CB 3.47Å; N363-A366 PolarHBondContact O-N 2.81Å
367P87.6Confident91.2Very high122 Ų12256.7 Ų56.779%0.79233%0.329SS*.PPolyproline II helixtrans-60152.1175.327.8-35.6000110.9
368A88.3Confident91.3Very high30 Ų3056.7 Ų56.725%0.24833%0.329CS..PPolyproline II helixtrans-63.9141.8177.400000111.5E145 V149E145-A368 HydrophobicContact CG-CB 3.31Å; E145-A368 WeakPolarHBondContact OE1-CB 3.38Å; V149-A368 HydrophobicContact CG2-CB 3.81Å
369P94.1Very high91.4Very high21 Ų2159.2 Ų59.214%0.13634%0.341CS..PPolyproline II helixtrans-65.6138.6-179.129.8-37000110.4R148 V152 E373R148-P369 HydrophobicContact CB-CG 3.92Å; V152-P369 HydrophobicContact CG2-CB 4.03Å; V152-P369 HydrophobicContact CG2-CG 3.78Å; P369-E373 HydrophobicContact CB-CB 4.35Å
370S95.1Very high91.6Very high57 Ų5753.1 Ų53.140%0.39931%0.309SS..PPolyproline II helixtrans-63.8161.5165.367.20000110.9A372 E373 L374S370-A372 VanDerWaalsContact C-N 3.33Å; S370-A372 PolarHBondContact O-N 3.17Å; S370-E373 VanDerWaalsContact CB-OE2 3.26Å; S370-E373 WeakPolarHBondContact CB-OE2 3.26Å; S370-E373 PolarHBondContact N-OE2 3.31Å; S370-E373 PolarHBondContact O-N 3.34Å; S370-E373 VanDerWaalsContact OG-CD 3.26Å; S370-E373 VanDerWaalsContact OG-CG 3.27Å; S370-E373 WeakPolarHBondContact OG-CG 3.47Å; S370-E373 PolarHBondContact OG-N 3.04Å; S370-E373 PolarHBondContact OG-OE2 3.43Å; S370-L374 PolarHBondContact O-N 2.91Å
371W95.8Very high91.9Very high33 Ų3352 Ų5213%0.12530%0.303CS..Hα-helixtrans-61.5-38.5-178.9-72.1110.2000113.2L86 D91 H94 Y95 L142 L374 E375L86-W371 HydrophobicContact CD1-CH2 3.98Å; L86-W371 HydrophobicContact CD1-CZ2 3.84Å; L86-W371 HydrophobicContact CD2-CZ2 4.17Å; D91-W371 HydrophobicContact CB-CD2 4.44Å; D91-W371 HydrophobicContact CB-CG 4.18Å; H94-W371 HydrophobicContact CB-CB 3.71Å; Y95-W371 HydrophobicContact CD2-CH2 4.08Å; Y95-W371 AromaticContact CD2-CZ3 3.99Å; Y95-W371 HydrophobicContact CD2-CZ3 3.99Å; Y95-W371 HydrophobicContact CG-CZ3 4.37Å; L142-W371 VanDerWaalsContact O-CH2 3.3Å; L142-W371 WeakPolarHBondContact O-CH2 3.23Å; W371-L374 HydrophobicContact CE3-CD2 4.05Å; W371-L374 HydrophobicContact CZ3-CD2 4.04Å; W371-L374 PolarHBondContact O-N 2.93Å; W371-E375 PolarHBondContact O-N 3.12Å
372A95.6Very high92.5Very high47 Ų4750.6 Ų50.639%0.38829%0.293SS..Hα-helixtrans-68.8-34.917600000113.3S370 S376S370-A372 VanDerWaalsContact C-N 3.33Å; S370-A372 PolarHBondContact O-N 3.17Å; A372-S376 WeakPolarHBondContact O-CB 3.5Å; A372-S376 PolarHBondContact O-N 3.49Å; A372-S376 PolarHBondContact O-OG 3.36Å
373E95.9Very high93.3Very high109 Ų10948.7 Ų48.751%0.50929%0.287SS..Hα-helixtrans-68.3-42.6172.1-71.9166.1127.600111.2P369 S370 E375 S376 V377P369-E373 HydrophobicContact CB-CB 4.35Å; S370-E373 VanDerWaalsContact CB-OE2 3.26Å; S370-E373 WeakPolarHBondContact CB-OE2 3.26Å; S370-E373 PolarHBondContact N-OE2 3.31Å; S370-E373 PolarHBondContact O-N 3.34Å; S370-E373 VanDerWaalsContact OG-CD 3.26Å; S370-E373 VanDerWaalsContact OG-CG 3.27Å; S370-E373 WeakPolarHBondContact OG-CG 3.47Å; S370-E373 PolarHBondContact OG-N 3.04Å; S370-E373 PolarHBondContact OG-OE2 3.43Å; E373-E375 PolarHBondContact O-N 3.08Å; E373-S376 PolarHBondContact O-N 2.96Å; E373-V377 WeakPolarHBondContact O-CB 3.42Å; E373-V377 VanDerWaalsContact O-CG2 3.27Å; E373-V377 WeakPolarHBondContact O-CG2 3.43Å; E373-V377 PolarHBondContact O-N 3.11Å
374L96.9Very high94Very high0 Ų046.1 Ų46.10%027%0.273CS..Hα-helixtrans-59.7-47175.6-17771.1000110.8C98 L142 R148 A151 V152 S370 W371 S376 V377 M378C98-L374 HydrophobicContact CB-CD2 4.26Å; L142-L374 HydrophobicContact CD2-CD2 4.48Å; R148-L374 HydrophobicContact CB-CD1 4.43Å; R148-L374 HydrophobicContact CB-CD2 4.35Å; R148-L374 HydrophobicContact CG-CD2 3.82Å; A151-L374 HydrophobicContact CB-CD1 4.26Å; V152-L374 HydrophobicContact CG2-CD1 3.71Å; S370-L374 PolarHBondContact O-N 2.91Å; W371-L374 HydrophobicContact CE3-CD2 4.05Å; W371-L374 HydrophobicContact CZ3-CD2 4.04Å; W371-L374 PolarHBondContact O-N 2.93Å; L374-S376 PolarHBondContact O-N 2.96Å; L374-V377 PolarHBondContact O-N 3.13Å; L374-M378 HydrophobicContact CD1-CE 4.2Å; L374-M378 HydrophobicContact CD1-CG 4.37Å; L374-M378 HydrophobicContact CG-CG 4.29Å; L374-M378 WeakPolarHBondContact O-CB 3.15Å; L374-M378 VanDerWaalsContact O-CG 3.28Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 3.24Å
375E97.6Very high94.9Very high38 Ų3841.8 Ų41.818%0.17825%0.245CC..Hα-helixtrans-58.7-49176.8-169.8-161.9125.900111.1H94 L97 C98 W371 E373 V377 M378 L379H94-E375 IonicContact CE1-OE2 2.66Å; H94-E375 IonicContact CG-OE2 4Å; H94-E375 IonicContact ND1-OE2 3.61Å; H94-E375 PolarHBondContact ND1-OE2 2.79Å; L97-E375 HydrophobicContact CB-CG 4Å; L97-E375 HydrophobicContact CD1-CG 4.3Å; L97-E375 WeakPolarHBondContact CD1-OE2 3.24Å; C98-E375 WeakPolarHBondContact SG-CA 2.99Å; C98-E375 PolarHBondContact SG-N 3.47Å; W371-E375 PolarHBondContact O-N 3.12Å; E373-E375 PolarHBondContact O-N 3.08Å; E375-V377 VanDerWaalsContact C-N 3.27Å; E375-V377 PolarHBondContact O-N 3.11Å; E375-M378 PolarHBondContact O-N 2.72Å; E375-M378 VanDerWaalsContact O-N 3.13Å; E375-L379 HydrophobicContact CG-CD1 3.92Å; E375-L379 HydrophobicContact CG-CG 4.33Å; E375-L379 WeakPolarHBondContact O-CB 3.41Å; E375-L379 WeakPolarHBondContact O-CG 3.2Å; E375-L379 PolarHBondContact O-N 2.74Å; E375-L379 WeakPolarHBondContact OE1-CD1 3.25Å
376S97.9Very high95.5Very high56 Ų5639.7 Ų39.739%0.39223%0.231SC..Hα-helixtrans-56.7-41.1178-60.50000112A372 E373 L374 A380A372-S376 WeakPolarHBondContact O-CB 3.5Å; A372-S376 PolarHBondContact O-N 3.49Å; A372-S376 PolarHBondContact O-OG 3.36Å; E373-S376 PolarHBondContact O-N 2.96Å; L374-S376 PolarHBondContact O-N 2.96Å; S376-A380 VanDerWaalsContact O-CB 3.24Å; S376-A380 WeakPolarHBondContact O-CB 3.33Å; S376-A380 PolarHBondContact O-N 2.77Å
377V98.2Very high96.2Very high10 Ų1039 Ų396%0.06123%0.226CC..Hα-helixtrans-71.3-40.3176.8170.80000112.1V152 A155 L356 L357 I360 E373 L374 E375 A380 V381V152-V377 HydrophobicContact CG1-CG1 4.5Å; V152-V377 HydrophobicContact CG2-CB 4.46Å; V152-V377 HydrophobicContact CG2-CG1 4.16Å; A155-V377 HydrophobicContact CB-CG1 3.48Å; A155-V377 VanDerWaalsContact CB-CG1 3.48Å; L356-V377 HydrophobicContact CD2-CB 4.49Å; L356-V377 HydrophobicContact CD2-CG2 3.76Å; L357-V377 HydrophobicContact CD2-CG1 3.92Å; I360-V377 HydrophobicContact CD1-CG1 3.76Å; I360-V377 HydrophobicContact CD1-CG2 3.87Å; I360-V377 HydrophobicContact CG1-CG2 4.16Å; E373-V377 WeakPolarHBondContact O-CB 3.42Å; E373-V377 VanDerWaalsContact O-CG2 3.27Å; E373-V377 WeakPolarHBondContact O-CG2 3.43Å; E373-V377 PolarHBondContact O-N 3.11Å; L374-V377 PolarHBondContact O-N 3.13Å; E375-V377 VanDerWaalsContact C-N 3.27Å; E375-V377 PolarHBondContact O-N 3.11Å; V377-A380 PolarHBondContact O-N 3.05Å; V377-V381 WeakPolarHBondContact O-CG1 3.41Å; V377-V381 PolarHBondContact O-N 3.19Å
378M98.3Very high96.6Very high0 Ų033.2 Ų33.20%019%0.188CC..Hα-helixtrans-66.3-43.5177.2-71.2-58101.100112C98 C101 V102 L137 A151 A155 L374 E375 V381 K382C98-M378 HydrophobicContact CB-CG 3.94Å; C101-M378 HydrophobicContact CB-CB 4.06Å; V102-M378 HydrophobicContact CG2-SD 3.86Å; L137-M378 HydrophobicContact CD1-CE 3.97Å; L137-M378 HydrophobicContact CD1-SD 4.04Å; A151-M378 HydrophobicContact CB-CE 4.2Å; A155-M378 HydrophobicContact CB-CE 3.82Å; L374-M378 HydrophobicContact CD1-CE 4.2Å; L374-M378 HydrophobicContact CD1-CG 4.37Å; L374-M378 HydrophobicContact CG-CG 4.29Å; L374-M378 WeakPolarHBondContact O-CB 3.15Å; L374-M378 VanDerWaalsContact O-CG 3.28Å; L374-M378 WeakPolarHBondContact O-CG 3.47Å; L374-M378 PolarHBondContact O-N 3.24Å; E375-M378 PolarHBondContact O-N 2.72Å; E375-M378 VanDerWaalsContact O-N 3.13Å; M378-V381 HydrophobicContact CE-CG1 4.48Å; M378-V381 WeakPolarHBondContact O-CG1 3.46Å; M378-K382 VanDerWaalsContact O-CB 3.28Å; M378-K382 WeakPolarHBondContact O-CB 3.35Å; M378-K382 PolarHBondContact O-N 2.69Å
379L98.3Very high96.8Very high61 Ų6132 Ų3232%0.31918%0.177SC..Hα-helixtrans-63-44.2173.6-71.8171.3000111.5E375 K382 L383E375-L379 HydrophobicContact CG-CD1 3.92Å; E375-L379 HydrophobicContact CG-CG 4.33Å; E375-L379 WeakPolarHBondContact O-CB 3.41Å; E375-L379 WeakPolarHBondContact O-CG 3.2Å; E375-L379 PolarHBondContact O-N 2.74Å; E375-L379 WeakPolarHBondContact OE1-CD1 3.25Å; L379-K382 PolarHBondContact O-N 3.42Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.09Å
380A98.4Very high96.8Very high3 Ų335.7 Ų35.73%0.02519%0.193CC..Hα-helixtrans-61-46.9177.700000112.2H353 L356 L357 S376 V377 L383 V384H353-A380 HydrophobicContact CB-CB 4.01Å; L356-A380 HydrophobicContact CD2-CB 3.99Å; L357-A380 HydrophobicContact CD1-CB 4.39Å; L357-A380 HydrophobicContact CD2-CB 4.19Å; L357-A380 HydrophobicContact CG-CB 4.03Å; S376-A380 VanDerWaalsContact O-CB 3.24Å; S376-A380 WeakPolarHBondContact O-CB 3.33Å; S376-A380 PolarHBondContact O-N 2.77Å; V377-A380 PolarHBondContact O-N 3.05Å; A380-L383 PolarHBondContact O-N 3.28Å; A380-V384 WeakPolarHBondContact O-CB 3.39Å; A380-V384 WeakPolarHBondContact O-CG2 3.46Å; A380-V384 PolarHBondContact O-N 3.46Å
381V98.5Very high96.6Very high0 Ų033.6 Ų33.60%018%0.177CC..Hα-helixtrans-69.7-34.9178.370.60000112.5L105 L137 A155 L158 L357 V377 M378 V384 V385L105-V381 HydrophobicContact CD1-CG1 4.06Å; L137-V381 HydrophobicContact CD2-CG1 4.29Å; A155-V381 HydrophobicContact CB-CB 4Å; A155-V381 HydrophobicContact CB-CG1 3.86Å; A155-V381 HydrophobicContact CB-CG2 4.32Å; L158-V381 HydrophobicContact CB-CG2 3.59Å; L158-V381 HydrophobicContact CD1-CG2 3.8Å; L158-V381 HydrophobicContact CG-CG2 4.33Å; L357-V381 HydrophobicContact CD1-CB 4.15Å; L357-V381 HydrophobicContact CD2-CB 4.29Å; V377-V381 WeakPolarHBondContact O-CG1 3.41Å; V377-V381 PolarHBondContact O-N 3.19Å; M378-V381 HydrophobicContact CE-CG1 4.48Å; M378-V381 WeakPolarHBondContact O-CG1 3.46Å; V381-V384 PolarHBondContact O-N 3.33Å; V381-V385 HydrophobicContact CG2-CG2 4.04Å; V381-V385 WeakPolarHBondContact O-CB 3.4Å; V381-V385 WeakPolarHBondContact O-CG2 3.39Å; V381-V385 PolarHBondContact O-N 3.41Å
382K98.2Very high96.4Very high51 Ų5133.2 Ų33.222%0.22218%0.177CC..Hα-helixtrans-55.7-53.7171.2172.2176.8167.6175.30111.5C101 E104 L105 M378 L379 H386C101-K382 HydrophobicContact CB-CB 4.44Å; C101-K382 HydrophobicContact CB-CD 4.09Å; C101-K382 VanDerWaalsContact SG-CD 3.56Å; E104-K382 IonicContact OE1-NZ 2.79Å; E104-K382 PolarHBondContact OE1-NZ 2.93Å; E104-K382 WeakPolarHBondContact OE2-CE 3.43Å; E104-K382 IonicContact OE2-NZ 2.7Å; E104-K382 PolarHBondContact OE2-NZ 2.88Å; L105-K382 HydrophobicContact CD1-CB 4.34Å; L105-K382 HydrophobicContact CG-CB 4.43Å; M378-K382 VanDerWaalsContact O-CB 3.28Å; M378-K382 WeakPolarHBondContact O-CB 3.35Å; M378-K382 PolarHBondContact O-N 2.69Å; L379-K382 PolarHBondContact O-N 3.42Å; K382-H386 VanDerWaalsContact O-CB 3.3Å; K382-H386 WeakPolarHBondContact O-CB 3.24Å; K382-H386 PolarHBondContact O-N 3.08Å
383L97.9Very high96.1Very high78 Ų7835.4 Ų35.441%0.40818%0.179SC..Hα-helixtrans-64.5-41.8-179.5-68.8170.2000112.3H353 L379 A380 H386 G387H353-L383 WeakPolarHBondContact NE2-CD1 2.89Å; L379-L383 WeakPolarHBondContact O-CG 3.44Å; L379-L383 PolarHBondContact O-N 3.09Å; A380-L383 PolarHBondContact O-N 3.28Å; L383-H386 PolarHBondContact O-N 3.42Å; L383-G387 PolarHBondContact O-N 3.24Å
384V98.2Very high95.6Very high0 Ų033.8 Ų33.80%017%0.174CC..Hα-helixtrans-64.6-45.5178.91650000112.3T162 H353 L354 L357 A380 V381 L388T162-V384 HydrophobicContact CG2-CG1 3.49Å; T162-V384 VanDerWaalsContact CG2-CG1 3.49Å; H353-V384 HydrophobicContact CB-CG2 3.67Å; L354-V384 HydrophobicContact CD2-CB 4.32Å; L354-V384 HydrophobicContact CD2-CG1 3.56Å; L354-V384 HydrophobicContact CD2-CG2 3.7Å; L354-V384 HydrophobicContact CG-CG2 3.92Å; L357-V384 HydrophobicContact CD1-CB 4.4Å; L357-V384 HydrophobicContact CD1-CG2 4.16Å; A380-V384 WeakPolarHBondContact O-CB 3.39Å; A380-V384 WeakPolarHBondContact O-CG2 3.46Å; A380-V384 PolarHBondContact O-N 3.46Å; V381-V384 PolarHBondContact O-N 3.33Å; V384-L388 PolarHBondContact O-N 2.9Å
385V97.6Very high94.9Very high2 Ų236.8 Ų36.81%0.01219%0.187CC..Hα-helixtrans-71.2-38.2178.1173.90000111L105 Y108 L126 V381 L388 V389L105-V385 HydrophobicContact CD2-CB 3.7Å; L105-V385 HydrophobicContact CD2-CG1 3.76Å; L105-V385 HydrophobicContact CD2-CG2 4.26Å; Y108-V385 HydrophobicContact CD2-CG1 4.11Å; Y108-V385 HydrophobicContact CE2-CG1 4.14Å; L126-V385 HydrophobicContact CD1-CG1 4.46Å; L126-V385 HydrophobicContact CD2-CG1 4.5Å; V381-V385 HydrophobicContact CG2-CG2 4.04Å; V381-V385 WeakPolarHBondContact O-CB 3.4Å; V381-V385 WeakPolarHBondContact O-CG2 3.39Å; V381-V385 PolarHBondContact O-N 3.41Å; V385-L388 WeakPolarHBondContact O-CB 3.06Å; V385-L388 PolarHBondContact O-N 3.28Å; V385-V389 WeakPolarHBondContact O-CG2 3.49Å; V385-V389 PolarHBondContact O-N 3.13Å
386H95.8Very high93.6Very high91 Ų9136.8 Ų36.842%0.42119%0.191SC..Hα-helixtrans-61.7-45.8175.1-176.6-144.4000111.8Y108 K382 L383 L388 V389 E390Y108-H386 PolarHBondContact OH-CD2 3.12Å; K382-H386 VanDerWaalsContact O-CB 3.3Å; K382-H386 WeakPolarHBondContact O-CB 3.24Å; K382-H386 PolarHBondContact O-N 3.08Å; L383-H386 PolarHBondContact O-N 3.42Å; H386-L388 VanDerWaalsContact C-N 3.29Å; H386-L388 PolarHBondContact O-N 3.01Å; H386-V389 WeakPolarHBondContact O-CB 3.23Å; H386-V389 PolarHBondContact O-N 2.85Å; H386-E390 PolarHBondContact O-N 2.82Å
387G95.6Very high91.5Very high10 Ų1042 Ų4210%0.10321%0.207CC..Hα-helixtrans-60.9-34.3176.800000113.6L383 F391L383-G387 PolarHBondContact O-N 3.24Å; G387-F391 WeakPolarHBondContact O-CB 3.4Å; G387-F391 PolarHBondContact O-N 3.11Å
388L95.8Very high89.2Confident0 Ų048.8 Ų48.80%024%0.235CC..Hα-helixtrans-64.6-46.5170.3177.366.9000112.1L126 M130 T162 E165 L166 V384 V385 H386 F391 I392L126-L388 HydrophobicContact CD2-CD2 4.4Å; M130-L388 HydrophobicContact CE-CD2 3.56Å; T162-L388 HydrophobicContact CG2-CB 3.82Å; T162-L388 HydrophobicContact CG2-CD1 4.49Å; T162-L388 HydrophobicContact CG2-CD2 4.13Å; T162-L388 HydrophobicContact CG2-CG 4.37Å; E165-L388 HydrophobicContact CB-CD1 4.06Å; E165-L388 HydrophobicContact CB-CD2 4.39Å; L166-L388 HydrophobicContact CD2-CD1 3.61Å; L166-L388 HydrophobicContact CG-CD1 3.94Å; V384-L388 PolarHBondContact O-N 2.9Å; V385-L388 WeakPolarHBondContact O-CB 3.06Å; V385-L388 PolarHBondContact O-N 3.28Å; H386-L388 VanDerWaalsContact C-N 3.29Å; H386-L388 PolarHBondContact O-N 3.01Å; L388-F391 PolarHBondContact O-N 3.49Å; L388-I392 HydrophobicContact CD1-CD1 3.8Å; L388-I392 HydrophobicContact CD1-CG1 4.18Å; L388-I392 HydrophobicContact CG-CD1 3.87Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.48Å; L388-I392 PolarHBondContact O-N 2.97Å
389V93.7Very high86.6Confident4 Ų453.2 Ų53.22%0.02427%0.267CS..Hα-helixtrans-61.3-47.7179.5169.40000110.5Y108 V125 L126 V385 H386 I392 Q393Y108-V389 HydrophobicContact CD1-CG1 4.22Å; Y108-V389 HydrophobicContact CD1-CG2 4.1Å; Y108-V389 HydrophobicContact CD2-CG2 4.31Å; Y108-V389 HydrophobicContact CE1-CB 4.29Å; Y108-V389 HydrophobicContact CE1-CG1 3.79Å; Y108-V389 HydrophobicContact CE1-CG2 4.05Å; Y108-V389 HydrophobicContact CE2-CG2 4.22Å; Y108-V389 HydrophobicContact CG-CG2 4.25Å; V125-V389 HydrophobicContact CG1-CG1 4.13Å; L126-V389 HydrophobicContact CD2-CG2 3.47Å; L126-V389 VanDerWaalsContact CD2-CG2 3.47Å; L126-V389 HydrophobicContact CG-CG2 4.17Å; V385-V389 WeakPolarHBondContact O-CG2 3.49Å; V385-V389 PolarHBondContact O-N 3.13Å; H386-V389 WeakPolarHBondContact O-CB 3.23Å; H386-V389 PolarHBondContact O-N 2.85Å; V389-I392 PolarHBondContact O-N 3.48Å; V389-Q393 VanDerWaalsContact O-CG 3.29Å; V389-Q393 WeakPolarHBondContact O-CG 3.27Å; V389-Q393 PolarHBondContact O-N 2.98Å
390E92.6Very high84Confident99 Ų9958.5 Ų58.546%0.46329%0.289SS..Hα-helixtrans-59.6-47.8176.2-173.6-178.417600111.2H386 I392 Q393 N394H386-E390 PolarHBondContact O-N 2.82Å; E390-I392 PolarHBondContact O-N 3.28Å; E390-Q393 PolarHBondContact O-N 3.11Å; E390-N394 VanDerWaalsContact CG-ND2 3.29Å; E390-N394 WeakPolarHBondContact CG-ND2 3.37Å; E390-N394 WeakPolarHBondContact O-CB 3.4Å; E390-N394 PolarHBondContact O-N 2.87Å
391F92.8Very high80.8Confident14 Ų1466.6 Ų66.66%0.06133%0.326CS..Hα-helixtrans-59.6-46.4179.1-178.3-105.2000112.6L166 Q169 H170 A345 L347 G387 L388 Q393 N394 F395L166-F391 HydrophobicContact CD2-CB 4.36Å; L166-F391 HydrophobicContact CD2-CD1 3.71Å; L166-F391 HydrophobicContact CD2-CE1 4.32Å; L166-F391 HydrophobicContact CD2-CG 4.16Å; Q169-F391 HydrophobicContact CB-CE1 3.73Å; Q169-F391 HydrophobicContact CG-CE1 4.24Å; H170-F391 AromaticContact CE1-CE1 3.85Å; H170-F391 AromaticContact CE1-CZ 3.34Å; H170-F391 WeakPolarHBondContact CE1-CZ 3.45Å; H170-F391 AromaticContact NE2-CZ 3.49Å; H170-F391 WeakPolarHBondContact NE2-CZ 3.5Å; A345-F391 HydrophobicContact CB-CD2 3.54Å; A345-F391 HydrophobicContact CB-CE2 3.84Å; L347-F391 HydrophobicContact CD1-CD1 4.41Å; L347-F391 HydrophobicContact CD1-CD2 3.68Å; L347-F391 HydrophobicContact CD1-CE1 4.5Å; L347-F391 HydrophobicContact CD1-CE2 3.78Å; L347-F391 HydrophobicContact CD1-CG 4.01Å; L347-F391 HydrophobicContact CD1-CZ 4.2Å; L347-F391 HydrophobicContact CD2-CB 4.25Å; L347-F391 HydrophobicContact CD2-CD2 4.46Å; L347-F391 HydrophobicContact CD2-CG 4.42Å; L347-F391 HydrophobicContact CG-CD2 4.27Å; G387-F391 WeakPolarHBondContact O-CB 3.4Å; G387-F391 PolarHBondContact O-N 3.11Å; L388-F391 PolarHBondContact O-N 3.49Å; F391-Q393 VanDerWaalsContact C-N 3.35Å; F391-Q393 PolarHBondContact O-N 3.42Å; F391-N394 PolarHBondContact O-N 3.36Å; F391-F395 HydrophobicContact CD2-CB 3.99Å; F391-F395 AromaticContact CD2-CD2 3.62Å; F391-F395 HydrophobicContact CD2-CD2 3.62Å; F391-F395 HydrophobicContact CD2-CE2 4.35Å; F391-F395 AromaticContact CD2-CG 3.89Å; F391-F395 HydrophobicContact CD2-CG 3.89Å; F391-F395 HydrophobicContact CE2-CB 3.73Å; F391-F395 HydrophobicContact CE2-CD1 4.43Å; F391-F395 HydrophobicContact CE2-CD2 4.01Å; F391-F395 AromaticContact CE2-CG 3.8Å; F391-F395 HydrophobicContact CE2-CG 3.8Å; F391-F395 HydrophobicContact CG-CD2 4.46Å; F391-F395 HydrophobicContact CZ-CB 4.15Å; F391-F395 WeakPolarHBondContact O-CB 3.25Å; F391-F395 PolarHBondContact O-N 3.44Å
392I90.8Very high77.6Confident25 Ų2571.7 Ų71.713%0.12836%0.358CS..Iπ-helixtrans-61.6-43.7177.1-68.9170.4000110.6V125 L388 V389 E390 S396V125-I392 HydrophobicContact CG1-CB 4.01Å; V125-I392 HydrophobicContact CG1-CG2 3.74Å; L388-I392 HydrophobicContact CD1-CD1 3.8Å; L388-I392 HydrophobicContact CD1-CG1 4.18Å; L388-I392 HydrophobicContact CG-CD1 3.87Å; L388-I392 VanDerWaalsContact O-CG1 3.31Å; L388-I392 WeakPolarHBondContact O-CG1 3.48Å; L388-I392 PolarHBondContact O-N 2.97Å; V389-I392 PolarHBondContact O-N 3.48Å; E390-I392 PolarHBondContact O-N 3.28Å; I392-S396 WeakPolarHBondContact O-CB 3.47Å; I392-S396 PolarHBondContact O-N 2.9Å
393Q88.4Confident74.5Confident93 Ų9374.9 Ų74.944%0.43538%0.384SS..Iπ-helixtrans-65.6-44.4179.9-71.1-177.337.400112.8V125 V389 E390 F391V125-Q393 HydrophobicContact CG1-CG 3.98Å; V125-Q393 HydrophobicContact CG2-CG 4.28Å; V389-Q393 VanDerWaalsContact O-CG 3.29Å; V389-Q393 WeakPolarHBondContact O-CG 3.27Å; V389-Q393 PolarHBondContact O-N 2.98Å; E390-Q393 PolarHBondContact O-N 3.11Å; F391-Q393 VanDerWaalsContact C-N 3.35Å; F391-Q393 PolarHBondContact O-N 3.42Å
394N87.1Confident71.3Confident74 Ų7478.9 Ų78.940%0.39640%0.4SS..Iπ-helixtrans-88.7-29.4-169.4-72.2-22.2000114.3E390 F391E390-N394 VanDerWaalsContact CG-ND2 3.29Å; E390-N394 WeakPolarHBondContact CG-ND2 3.37Å; E390-N394 WeakPolarHBondContact O-CB 3.4Å; E390-N394 PolarHBondContact O-N 2.87Å; F391-N394 PolarHBondContact O-N 3.36Å
395F80.3Confident68.4Low64 Ų6484.3 Ų84.328%0.28144%0.436SS..Iπ-helixtrans-115.9-38.6-172.1-63.5-94000113.9P344 A345 F391 K397 K398 S399P344-F395 HydrophobicContact CB-CE1 4.13Å; P344-F395 HydrophobicContact CG-CD1 4.5Å; P344-F395 HydrophobicContact CG-CE1 4.29Å; P344-F395 WeakPolarHBondContact O-CE1 3.41Å; P344-F395 VanDerWaalsContact O-CZ 3.28Å; P344-F395 WeakPolarHBondContact O-CZ 3.39Å; A345-F395 HydrophobicContact CB-CD2 3.99Å; A345-F395 HydrophobicContact CB-CE1 4.17Å; A345-F395 HydrophobicContact CB-CE2 3.49Å; A345-F395 VanDerWaalsContact CB-CE2 3.49Å; A345-F395 HydrophobicContact CB-CZ 3.6Å; F391-F395 HydrophobicContact CD2-CB 3.99Å; F391-F395 AromaticContact CD2-CD2 3.62Å; F391-F395 HydrophobicContact CD2-CD2 3.62Å; F391-F395 HydrophobicContact CD2-CE2 4.35Å; F391-F395 AromaticContact CD2-CG 3.89Å; F391-F395 HydrophobicContact CD2-CG 3.89Å; F391-F395 HydrophobicContact CE2-CB 3.73Å; F391-F395 HydrophobicContact CE2-CD1 4.43Å; F391-F395 HydrophobicContact CE2-CD2 4.01Å; F391-F395 AromaticContact CE2-CG 3.8Å; F391-F395 HydrophobicContact CE2-CG 3.8Å; F391-F395 HydrophobicContact CG-CD2 4.46Å; F391-F395 HydrophobicContact CZ-CB 4.15Å; F391-F395 WeakPolarHBondContact O-CB 3.25Å; F391-F395 PolarHBondContact O-N 3.44Å; F395-K397 VanDerWaalsContact C-N 3.32Å; F395-K397 PolarHBondContact O-N 3.42Å; F395-K398 PolarHBondContact O-N 3.15Å; F395-K398 VanDerWaalsContact O-N 3.08Å; F395-S399 PolarHBondContact O-N 2.93Å
396S70.3Confident65.6Low38 Ų3890.5 Ų90.527%0.26647%0.465SS..Iπ-helixtrans-59.1-41.6-176.2-162.20000112.3Q169 I392 K398 S399Q169-S396 PolarHBondContact OE1-OG 3Å; I392-S396 WeakPolarHBondContact O-CB 3.47Å; I392-S396 PolarHBondContact O-N 2.9Å; S396-K398 VanDerWaalsContact C-N 3.33Å; S396-K398 PolarHBondContact O-N 2.62Å; S396-S399 VanDerWaalsContact O-CB 3.27Å; S396-S399 WeakPolarHBondContact O-CB 3.2Å; S396-S399 PolarHBondContact O-N 3.29Å
397K55.8Low63.3Low164 Ų16490 Ų9071%0.71348%0.476SS*.Hα-helixtrans-63.1-32.7177.3-66.8177.4-178.2170.90114F395 S399F395-K397 VanDerWaalsContact C-N 3.32Å; F395-K397 PolarHBondContact O-N 3.42Å; K397-S399 VanDerWaalsContact C-N 3.32Å
398K48.6Very low61.1Low153 Ų15394.5 Ų94.567%0.66550%0.498SS*.Hα-helixtrans-77.4-18.1179.5-71.5173.8-177.81580113F395 S396 H400F395-K398 PolarHBondContact O-N 3.15Å; F395-K398 VanDerWaalsContact O-N 3.08Å; S396-K398 VanDerWaalsContact C-N 3.33Å; S396-K398 PolarHBondContact O-N 2.62Å; K398-H400 VanDerWaalsContact C-N 3.31Å; K398-H400 PolarHBondContact O-N 2.91Å
399S43.6Very low59.1Low94 Ų9496.2 Ų96.266%0.65751%0.51SS*.Hα-helixtrans-64.7-32.4-179.5-167.50000113F395 S396 K397F395-S399 PolarHBondContact O-N 2.93Å; S396-S399 VanDerWaalsContact O-CB 3.27Å; S396-S399 WeakPolarHBondContact O-CB 3.2Å; S396-S399 PolarHBondContact O-N 3.29Å; K397-S399 VanDerWaalsContact C-N 3.32Å
400H44Very low57.5Low172 Ų172103.2 Ų103.280%0.79654%0.54SS*.SBendtrans-110.8-5.6-168.1-140.1-58000115.8K398K398-H400 VanDerWaalsContact C-N 3.31Å; K398-H400 PolarHBondContact O-N 2.91Å
401E31.5Very low56.2Low172 Ų172105.7 Ų105.780%0.80455%0.546SS*.  trans-134.348.2177.4-152.3-177.2169.800113.2
402T30.8Very low55.4Low107 Ų107105.6 Ų105.666%0.65655%0.545SS*.SBendtrans-94.1123.1136.448.80000107.4Q404T402-Q404 VanDerWaalsContact C-N 3.27Å; T402-Q404 PolarHBondContact O-N 3.19Å
403P33.3Very low54.8Low118 Ų118108.4 Ų108.477%0.76656%0.564SS**  trans-66.396.316527-31.6000107P405P403-P405 WeakPolarHBondContact O-CD 3.36Å
404Q30.5Very low54.5Low163 Ų163106.4 Ų106.476%0.76256%0.56SS**  trans-44.8114.7177.6-177.2-172.220.300108.2T402 Q406T402-Q404 VanDerWaalsContact C-N 3.27Å; T402-Q404 PolarHBondContact O-N 3.19Å; Q404-Q406 PolarHBondContact O-N 3.33Å
405P38.3Very low54.5Low114 Ų114104.9 Ų104.974%0.7455%0.551SS**  trans-64.5106.2-173.223.7-32.6000107.8P403 A407P403-P405 WeakPolarHBondContact O-CD 3.36Å; P405-A407 PolarHBondContact O-N 3.09Å; P405-A407 VanDerWaalsContact O-N 3.11Å
406Q37.9Very low54.8Low132 Ų132102 Ų10262%0.61754%0.539SS*.  trans-46.5121.7-167.7-72.9-176.1-27.400109.8Q404 N408 S409Q404-Q406 PolarHBondContact O-N 3.33Å; Q406-N408 PolarHBondContact O-N 3.04Å; Q406-S409 VanDerWaalsContact O-CB 3.25Å; Q406-S409 WeakPolarHBondContact O-CB 3.31Å; Q406-S409 PolarHBondContact O-N 2.84Å; Q406-S409 PolarHBondContact O-OG 3.49Å
407A47Very low55.5Low79 Ų79109.3 Ų109.365%0.65356%0.561SS**THydrogen-bonded Turntrans-57.1-19.7-163.700000114.3P405 S409P405-A407 PolarHBondContact O-N 3.09Å; P405-A407 VanDerWaalsContact O-N 3.11Å; A407-S409 VanDerWaalsContact C-N 3.33Å; A407-S409 PolarHBondContact O-N 3.13Å
408N49.7Very low56.7Low106 Ų106104 Ų10457%0.56754%0.54SS*.THydrogen-bonded Turntrans-85.43.4179.8-58-10.2000113.8Q406 K410Q406-N408 PolarHBondContact O-N 3.04Å; N408-K410 PolarHBondContact O-N 3.41Å; N408-K410 VanDerWaalsContact O-N 3.09Å
409S54.3Low58.3Low36 Ų3699.1 Ų99.125%0.25252%0.521SS..THydrogen-bonded Turntrans-7719.3-177.2-56.60000115.3Q406 A407 F443Q406-S409 VanDerWaalsContact O-CB 3.25Å; Q406-S409 WeakPolarHBondContact O-CB 3.31Å; Q406-S409 PolarHBondContact O-N 2.84Å; Q406-S409 PolarHBondContact O-OG 3.49Å; A407-S409 VanDerWaalsContact C-N 3.33Å; A407-S409 PolarHBondContact O-N 3.13Å; S409-F443 WeakPolarHBondContact O-CE1 3.34Å
410K60.8Low59.7Low151 Ų151103.1 Ų103.166%0.65752%0.522SS*.THydrogen-bonded Turntrans-94.9-13.1-167.5-76.9-173.8174.9-179.70116.4N408N408-K410 PolarHBondContact O-N 3.41Å; N408-K410 VanDerWaalsContact O-N 3.09Å
411Y64.1Low61Low151 Ų151102.3 Ų102.359%0.59252%0.518SS*.  trans-144.824.6-165.9-21-86.9000118T413Y411-T413 PolarHBondContact O-N 3.09Å; Y411-T413 PolarHBondContact O-OG1 2.89Å
412K76.4Confident62.9Low12 Ų12101.3 Ų101.35%0.05251%0.514CS..  trans-74.870.3178.1-54.5-157.7-172.9-1600112.6T429 C431 T432 A434 E439 L440 F443K412-T429 PolarHBondContact NZ-O 2.93Å; K412-C431 WeakPolarHBondContact CE-O 3.29Å; K412-C431 PolarHBondContact NZ-O 3.37Å; K412-T432 WeakPolarHBondContact CA-O 3.5Å; K412-A434 HydrophobicContact CB-CB 4.43Å; K412-E439 HydrophobicContact CD-CG 4.19Å; K412-E439 VanDerWaalsContact CD-OE1 3.24Å; K412-E439 WeakPolarHBondContact CD-OE1 3.29Å; K412-E439 VanDerWaalsContact CE-OE1 3.25Å; K412-E439 WeakPolarHBondContact CE-OE1 3.26Å; K412-E439 IonicContact NZ-OE1 2.82Å; K412-E439 PolarHBondContact NZ-OE1 3.25Å; K412-E439 IonicContact NZ-OE2 3.14Å; K412-L440 WeakPolarHBondContact O-CD1 3.45Å; K412-F443 HydrophobicContact CB-CD2 3.6Å; K412-F443 HydrophobicContact CB-CE2 3.92Å; K412-F443 HydrophobicContact CB-CG 4Å; K412-F443 HydrophobicContact CD-CD2 4.26Å; K412-F443 HydrophobicContact CD-CE2 3.75Å; K412-F443 HydrophobicContact CD-CZ 4.3Å; K412-F443 HydrophobicContact CG-CD2 4.18Å; K412-F443 HydrophobicContact CG-CE2 3.96Å; K412-F443 HydrophobicContact CG-CZ 4.29Å; K412-F443 WeakPolarHBondContact O-CB 3.48Å
413T77.5Confident65Low83 Ų8399.6 Ų99.651%0.50952%0.517SS..  trans-96.5-7.3-172.355.40000114.7Y411 L440 R444Y411-T413 PolarHBondContact O-N 3.09Å; Y411-T413 PolarHBondContact O-OG1 2.89Å; T413-L440 WeakPolarHBondContact O-CD1 3.27Å; T413-R444 PolarHBondContact O-NH1 3.47Å
414S83.5Confident67.2Low52 Ų5295.6 Ų95.636%0.36450%0.497SS..SBendtrans-146.9161.9174.658.20000111.4F433 A434S414-F433 WeakPolarHBondContact OG-CD1 3.25Å; S414-A434 PolarHBondContact O-N 3.42Å
415M86.4Confident69.7Low42 Ų4288.8 Ų88.821%0.20747%0.467CS..BIsolated β-bridgetrans-74.2144.1-179.1-70-62.8-6500112.5A434 L440M415-A434 CarbonylContact C-O 3.57Å; M415-A434 WeakPolarHBondContact CA-O 3.37Å; M415-A434 WeakPolarHBondContact CE-O 3.31Å; M415-A434 HydrophobicContact SD-CB 3.75Å; M415-L440 HydrophobicContact CG-CD2 3.87Å; M415-L440 HydrophobicContact SD-CB 4.06Å; M415-L440 HydrophobicContact SD-CD2 4.09Å
416C86.6Confident71.6Confident3 Ų388.7 Ų88.72%0.0247%0.467CS..  trans-62.5133.2173.1-178.60000110.7L419 F433 A434C416-L419 HydrophobicContact CB-CB 4.2Å; C416-L419 PolarHBondContact SG-N 2.87Å; C416-F433 HydrophobicContact CB-CB 3.85Å; C416-A434 PolarHBondContact N-O 3.2Å
417R84.4Confident73.5Confident192 Ų19289.2 Ų89.273%0.72546%0.463SS*.Hα-helixtrans-78.5-46.3174.7-68.3-177.4176.5-178.5-2.2110.8L419 R420 Q421R417-L419 PolarHBondContact O-N 2.94Å; R417-R420 CarbonylContact O-C 3.58Å; R417-R420 WeakPolarHBondContact O-CA 3.17Å; R417-R420 WeakPolarHBondContact O-CB 3.33Å; R417-R420 PolarHBondContact O-N 3.3Å; R417-Q421 PolarHBondContact O-N 3.5Å
418D81.6Confident75.1Confident53 Ų5387 Ų8728%0.28345%0.448SS..Hα-helixtrans-52.4-53-177.6-35.5-13.4000111.1R420 Q421 Q422 C425D418-R420 VanDerWaalsContact C-N 3.29Å; D418-R420 PolarHBondContact O-N 3.19Å; D418-Q421 PolarHBondContact O-N 3.3Å; D418-Q422 WeakPolarHBondContact O-CB 3.25Å; D418-Q422 PolarHBondContact O-N 3.33Å; D418-C425 HydrophobicContact CB-CB 4.32Å
419L82.3Confident76.3Confident50 Ų5087.6 Ų87.626%0.26246%0.456SS..Hα-helixtrans-59.1-38.1177.5-175.865.7000112.9C416 R417 G423 C425 H435C416-L419 HydrophobicContact CB-CB 4.2Å; C416-L419 PolarHBondContact SG-N 2.87Å; R417-L419 PolarHBondContact O-N 2.94Å; L419-G423 WeakPolarHBondContact O-CA 3.44Å; L419-G423 PolarHBondContact O-N 3.18Å; L419-G423 VanDerWaalsContact O-N 3.16Å; L419-C425 HydrophobicContact CB-CB 4.12Å; L419-H435 HydrophobicContact CD2-CB 3.52Å; L419-H435 VanDerWaalsContact CD2-O 3.24Å; L419-H435 WeakPolarHBondContact CD2-O 3.5Å
420R72.6Confident77.3Confident178 Ų17889.2 Ų89.267%0.67247%0.467SS*.Hα-helixtrans-74.2-26.3-178.8-173-177.9-63.7-123.6-6.4112.8R417 D418R417-R420 CarbonylContact O-C 3.58Å; R417-R420 WeakPolarHBondContact O-CA 3.17Å; R417-R420 WeakPolarHBondContact O-CB 3.33Å; R417-R420 PolarHBondContact O-N 3.3Å; D418-R420 VanDerWaalsContact C-N 3.29Å; D418-R420 PolarHBondContact O-N 3.19Å
421Q72.1Confident78.3Confident154 Ų15482.1 Ų82.172%0.7244%0.437SS*.Hα-helixtrans-103.8-25.8-175.2-69.5-179.6-33.500113.5R417 D418R417-Q421 PolarHBondContact O-N 3.5Å; D418-Q421 PolarHBondContact O-N 3.3Å
422Q71.4Confident79.1Confident152 Ų15277.6 Ų77.671%0.7143%0.425SS*.Hα-helixtrans-122.21.2-173.9-60.2-177.3-18.200113.5D418 G424D418-Q422 WeakPolarHBondContact O-CB 3.25Å; D418-Q422 PolarHBondContact O-N 3.33Å; Q422-G424 PolarHBondContact O-N 2.85Å
423G74.9Confident79.5Confident70 Ų7081 Ų8172%0.72244%0.44SS*.SBendtrans72.7-11.2179.800000115.2L419L419-G423 WeakPolarHBondContact O-CA 3.44Å; L419-G423 PolarHBondContact O-N 3.18Å; L419-G423 VanDerWaalsContact O-N 3.16Å
424G78.1Confident80Confident35 Ų3577.1 Ų77.136%0.36142%0.416SS..SBendtrans-144.2153.1172.900000110.8Q422Q422-G424 PolarHBondContact O-N 2.85Å
425C84.6Confident80.2Confident19 Ų1976.5 Ų76.513%0.12841%0.407CS..  trans-113.6126.3172.51740000109.8D418 L419 R427 G428 H435D418-C425 HydrophobicContact CB-CB 4.32Å; L419-C425 HydrophobicContact CB-CB 4.12Å; C425-R427 PolarHBondContact O-N 2.74Å; C425-R427 PolarHBondContact SG-N 3.4Å; C425-G428 PolarHBondContact O-N 3.31Å; C425-H435 VanDerWaalsContact CB-CE1 3.5Å; C425-H435 WeakPolarHBondContact CB-CE1 3.43Å
426P76.8Confident80.1Confident113 Ų11378 Ų7873%0.73442%0.418SS*.THydrogen-bonded Turntrans-66.5-10.7-177.127.5-35.8000114
427R77.4Confident79.8Confident142 Ų14282.3 Ų82.354%0.53644%0.439SS..THydrogen-bonded Turntrans-91.8-9.4177-53.6-177.3-168.3-160.30.7113C425 S430 C431C425-R427 PolarHBondContact O-N 2.74Å; C425-R427 PolarHBondContact SG-N 3.4Å; R427-S430 WeakPolarHBondContact O-CB 3.13Å; R427-S430 PolarHBondContact O-N 3.02Å; R427-S430 VanDerWaalsContact O-N 3.15Å; R427-S430 PolarHBondContact O-OG 3.07Å; R427-C431 HydrophobicContact CB-CB 3.86Å; R427-C431 PolarHBondContact O-N 2.95Å
428G80.7Confident79.8Confident33 Ų3378.2 Ų78.234%0.3443%0.431SS..G310 helixtrans52.3-141.6178.600000113.3C425 S430 C431 H435C425-G428 PolarHBondContact O-N 3.31Å; G428-S430 PolarHBondContact O-N 2.8Å; G428-C431 VanDerWaalsContact O-CB 3.26Å; G428-C431 WeakPolarHBondContact O-CB 3.45Å; G428-C431 PolarHBondContact O-N 3.38Å; G428-C431 VanDerWaalsContact O-N 3.13Å; G428-H435 PolarHBondContact O-CE1 2.89Å
429T76.5Confident80.1Confident118 Ų11877.8 Ų77.872%0.72443%0.427SS*.G310 helixtrans-59.3-26.9177.448.80000113.7K412 C431K412-T429 PolarHBondContact NZ-O 2.93Å; T429-C431 PolarHBondContact O-N 3Å
430S74.4Confident80.1Confident71 Ų7176 Ų7650%0.49742%0.418SS..G310 helixtrans-75-5178.781.70000114.4R427 G428 T432R427-S430 WeakPolarHBondContact O-CB 3.13Å; R427-S430 PolarHBondContact O-N 3.02Å; R427-S430 VanDerWaalsContact O-N 3.15Å; R427-S430 PolarHBondContact O-OG 3.07Å; G428-S430 PolarHBondContact O-N 2.8Å; S430-T432 PolarHBondContact O-N 3.02Å
431C81.7Confident80.4Confident2 Ų272 Ų721%0.01441%0.407CS..  trans-57.8132175.9-168.40000111.7K412 R427 G428 T429 F433 H435K412-C431 WeakPolarHBondContact CE-O 3.29Å; K412-C431 PolarHBondContact NZ-O 3.37Å; R427-C431 HydrophobicContact CB-CB 3.86Å; R427-C431 PolarHBondContact O-N 2.95Å; G428-C431 VanDerWaalsContact O-CB 3.26Å; G428-C431 WeakPolarHBondContact O-CB 3.45Å; G428-C431 PolarHBondContact O-N 3.38Å; G428-C431 VanDerWaalsContact O-N 3.13Å; T429-C431 PolarHBondContact O-N 3Å; C431-F433 PolarHBondContact O-N 2.95Å; C431-H435 WeakPolarHBondContact CB-NE2 3.5Å; C431-H435 PolarHBondContact SG-NE2 3.44Å; C431-H435 VanDerWaalsContact SG-NE2 3.37Å
432T81.9Confident80.8Confident56 Ų5671.3 Ų71.334%0.34440%0.402SS..SBendtrans-73-4.4176.950.30000113.8K412 S430K412-T432 WeakPolarHBondContact CA-O 3.5Å; S430-T432 PolarHBondContact O-N 3.02Å
433F83.7Confident81Confident84 Ų8465.3 Ų65.337%0.36837%0.373SS..SBendtrans-115.2152.4178.7-59.1-74.3000110.3S414 C416 C431 H435S414-F433 WeakPolarHBondContact OG-CD1 3.25Å; C416-F433 HydrophobicContact CB-CB 3.85Å; C431-F433 PolarHBondContact O-N 2.95Å; F433-H435 PolarHBondContact O-CD2 3.01Å
434A87.6Confident81.1Confident0 Ų069.3 Ų69.30%037%0.366CS..BIsolated β-bridgetrans-72.8137.1-176.300000112.1K412 S414 M415 C416 E439 L440K412-A434 HydrophobicContact CB-CB 4.43Å; S414-A434 PolarHBondContact O-N 3.42Å; M415-A434 CarbonylContact C-O 3.57Å; M415-A434 WeakPolarHBondContact CA-O 3.37Å; M415-A434 WeakPolarHBondContact CE-O 3.31Å; M415-A434 HydrophobicContact SD-CB 3.75Å; C416-A434 PolarHBondContact N-O 3.2Å; A434-E439 WeakPolarHBondContact CA-OE2 3.23Å; A434-E439 HydrophobicContact CB-CB 4.31Å; A434-E439 HydrophobicContact CB-CG 4.35Å; A434-L440 HydrophobicContact CB-CB 3.62Å; A434-L440 HydrophobicContact CB-CD1 4.43Å
435H88.2Confident80.8Confident40 Ų4073.5 Ų73.519%0.18538%0.38CS..SBendtrans-96.1-24.2-179.5-76.2-164.7000112.6L419 C425 G428 C431 F433 E439L419-H435 HydrophobicContact CD2-CB 3.52Å; L419-H435 VanDerWaalsContact CD2-O 3.24Å; L419-H435 WeakPolarHBondContact CD2-O 3.5Å; C425-H435 VanDerWaalsContact CB-CE1 3.5Å; C425-H435 WeakPolarHBondContact CB-CE1 3.43Å; G428-H435 PolarHBondContact O-CE1 2.89Å; C431-H435 WeakPolarHBondContact CB-NE2 3.5Å; C431-H435 PolarHBondContact SG-NE2 3.44Å; C431-H435 VanDerWaalsContact SG-NE2 3.37Å; F433-H435 PolarHBondContact O-CD2 3.01Å; H435-E439 PolarHBondContact N-OE2 3.2Å
436T84.1Confident80Confident72 Ų7279.3 Ų79.344%0.44240%0.399SS..SBendtrans-127.6159.7169.466.40000111.2D438 E439 L440T436-D438 VanDerWaalsContact C-N 3.29Å; T436-D438 PolarHBondContact O-N 2.88Å; T436-E439 WeakPolarHBondContact O-CB 3.37Å; T436-E439 PolarHBondContact O-N 3.49Å; T436-E439 PolarHBondContact OG1-N 2.95Å; T436-L440 PolarHBondContact O-N 3.2Å; T436-L440 VanDerWaalsContact O-N 3.15Å
437Q81.8Confident79.2Confident95 Ų9578.1 Ų78.144%0.44439%0.387SS..Hα-helixtrans-60.5-42174.1-174.365.216.700110.8E439 L440 E441Q437-E439 VanDerWaalsContact C-N 3.26Å; Q437-E439 PolarHBondContact O-N 3.19Å; Q437-L440 WeakPolarHBondContact O-CB 3.28Å; Q437-L440 PolarHBondContact O-N 3.16Å; Q437-L440 VanDerWaalsContact O-N 3.13Å; Q437-E441 HydrophobicContact CG-CG 4.47Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.43Å; Q437-E441 PolarHBondContact NE2-OE1 3.07Å; Q437-E441 PolarHBondContact O-N 3.43Å
438D83.8Confident78.5Confident105 Ų10579.9 Ų79.956%0.56140%0.398SS*.Hα-helixtrans-57.6-37.6175.5-46-9.6000112.8T436 K442T436-D438 VanDerWaalsContact C-N 3.29Å; T436-D438 PolarHBondContact O-N 2.88Å; D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 WeakPolarHBondContact O-CD 3.48Å; D438-K442 WeakPolarHBondContact O-CG 3.41Å; D438-K442 PolarHBondContact O-N 3.2Å
439E86.6Confident77.1Confident44 Ų4486.6 Ų86.621%0.20642%0.418CS..Hα-helixtrans-64.9-52.5175.3-172.9177.6-149.600109.6K412 A434 H435 T436 Q437 E441 K442 F443K412-E439 HydrophobicContact CD-CG 4.19Å; K412-E439 VanDerWaalsContact CD-OE1 3.24Å; K412-E439 WeakPolarHBondContact CD-OE1 3.29Å; K412-E439 VanDerWaalsContact CE-OE1 3.25Å; K412-E439 WeakPolarHBondContact CE-OE1 3.26Å; K412-E439 IonicContact NZ-OE1 2.82Å; K412-E439 PolarHBondContact NZ-OE1 3.25Å; K412-E439 IonicContact NZ-OE2 3.14Å; A434-E439 WeakPolarHBondContact CA-OE2 3.23Å; A434-E439 HydrophobicContact CB-CB 4.31Å; A434-E439 HydrophobicContact CB-CG 4.35Å; H435-E439 PolarHBondContact N-OE2 3.2Å; T436-E439 WeakPolarHBondContact O-CB 3.37Å; T436-E439 PolarHBondContact O-N 3.49Å; T436-E439 PolarHBondContact OG1-N 2.95Å; Q437-E439 VanDerWaalsContact C-N 3.26Å; Q437-E439 PolarHBondContact O-N 3.19Å; E439-E441 VanDerWaalsContact C-N 3.31Å; E439-E441 PolarHBondContact O-N 2.94Å; E439-K442 PolarHBondContact O-N 2.99Å; E439-F443 HydrophobicContact CG-CD2 3.86Å; E439-F443 HydrophobicContact CG-CE2 3.6Å; E439-F443 WeakPolarHBondContact O-CD2 3.3Å; E439-F443 PolarHBondContact O-N 3.45Å; E439-F443 VanDerWaalsContact O-N 3.1Å
440L82.9Confident75.8Confident14 Ų1485 Ų857%0.07341%0.412CS..Hα-helixtrans-54.8-45.3177.8177.656000112.1K412 T413 M415 A434 T436 Q437 F443 R444K412-L440 WeakPolarHBondContact O-CD1 3.45Å; T413-L440 WeakPolarHBondContact O-CD1 3.27Å; M415-L440 HydrophobicContact CG-CD2 3.87Å; M415-L440 HydrophobicContact SD-CB 4.06Å; M415-L440 HydrophobicContact SD-CD2 4.09Å; A434-L440 HydrophobicContact CB-CB 3.62Å; A434-L440 HydrophobicContact CB-CD1 4.43Å; T436-L440 PolarHBondContact O-N 3.2Å; T436-L440 VanDerWaalsContact O-N 3.15Å; Q437-L440 WeakPolarHBondContact O-CB 3.28Å; Q437-L440 PolarHBondContact O-N 3.16Å; Q437-L440 VanDerWaalsContact O-N 3.13Å; L440-F443 PolarHBondContact O-N 3.32Å; L440-R444 HydrophobicContact CD1-CG 4.18Å; L440-R444 VanDerWaalsContact O-CG 3.31Å; L440-R444 WeakPolarHBondContact O-CG 3.44Å; L440-R444 PolarHBondContact O-N 3.49Å
441E79Confident74.2Confident94 Ų9486.5 Ų86.544%0.43942%0.422SS..Hα-helixtrans-70-40.3-178.6-71.4-176.4-165.100112.4Q437 E439 F443 R444 L445Q437-E441 HydrophobicContact CG-CG 4.47Å; Q437-E441 WeakPolarHBondContact CG-OE1 3.43Å; Q437-E441 PolarHBondContact NE2-OE1 3.07Å; Q437-E441 PolarHBondContact O-N 3.43Å; E439-E441 VanDerWaalsContact C-N 3.31Å; E439-E441 PolarHBondContact O-N 2.94Å; E441-F443 VanDerWaalsContact C-N 3.26Å; E441-F443 PolarHBondContact O-N 3Å; E441-R444 PolarHBondContact O-N 2.79Å; E441-L445 WeakPolarHBondContact O-CB 3.21Å; E441-L445 VanDerWaalsContact O-CG 3.25Å; E441-L445 WeakPolarHBondContact O-CG 3.35Å; E441-L445 PolarHBondContact O-N 3.18Å
442K81.7Confident72.4Confident139 Ų13990.9 Ų90.960%0.60445%0.453SS*.Hα-helixtrans-56.9-38.3171.6-78167.6-178.4167.70112.2D438 E439 R446D438-K442 WeakPolarHBondContact O-CB 3.33Å; D438-K442 WeakPolarHBondContact O-CD 3.48Å; D438-K442 WeakPolarHBondContact O-CG 3.41Å; D438-K442 PolarHBondContact O-N 3.2Å; E439-K442 PolarHBondContact O-N 2.99Å; K442-R446 WeakPolarHBondContact O-CB 3.48Å; K442-R446 PolarHBondContact O-N 3.49Å
443F75.5Confident70.3Confident26 Ų2694.1 Ų94.111%0.11447%0.472CS..Hα-helixtrans-73.5-40.9175.3-75.9-72.8000112.9S409 K412 E439 L440 E441 L445 R446 N447S409-F443 WeakPolarHBondContact O-CE1 3.34Å; K412-F443 HydrophobicContact CB-CD2 3.6Å; K412-F443 HydrophobicContact CB-CE2 3.92Å; K412-F443 HydrophobicContact CB-CG 4Å; K412-F443 HydrophobicContact CD-CD2 4.26Å; K412-F443 HydrophobicContact CD-CE2 3.75Å; K412-F443 HydrophobicContact CD-CZ 4.3Å; K412-F443 HydrophobicContact CG-CD2 4.18Å; K412-F443 HydrophobicContact CG-CE2 3.96Å; K412-F443 HydrophobicContact CG-CZ 4.29Å; K412-F443 WeakPolarHBondContact O-CB 3.48Å; E439-F443 HydrophobicContact CG-CD2 3.86Å; E439-F443 HydrophobicContact CG-CE2 3.6Å; E439-F443 WeakPolarHBondContact O-CD2 3.3Å; E439-F443 PolarHBondContact O-N 3.45Å; E439-F443 VanDerWaalsContact O-N 3.1Å; L440-F443 PolarHBondContact O-N 3.32Å; E441-F443 VanDerWaalsContact C-N 3.26Å; E441-F443 PolarHBondContact O-N 3Å; F443-L445 PolarHBondContact O-N 3.11Å; F443-R446 PolarHBondContact O-N 3.01Å; F443-N447 PolarHBondContact O-N 3.49Å
444R76.7Confident67.9Low153 Ų15396.5 Ų96.558%0.57749%0.493SS*.Hα-helixtrans-62.2-42.7175.4-69.5171.890.590.3-3.5112.2T413 L440 E441 N447 K448T413-R444 PolarHBondContact O-NH1 3.47Å; L440-R444 HydrophobicContact CD1-CG 4.18Å; L440-R444 VanDerWaalsContact O-CG 3.31Å; L440-R444 WeakPolarHBondContact O-CG 3.44Å; L440-R444 PolarHBondContact O-N 3.49Å; E441-R444 PolarHBondContact O-N 2.79Å; R444-N447 PolarHBondContact O-N 3.36Å; R444-K448 PolarHBondContact O-N 3.18Å; R444-K448 VanDerWaalsContact O-N 3.07Å
445L70.8Confident65.2Low123 Ų123106.9 Ų106.964%0.64453%0.533SS*.Hα-helixtrans-62.1-42.8175.5-71.6165.9000111.6E441 F443 K448 K449E441-L445 WeakPolarHBondContact O-CB 3.21Å; E441-L445 VanDerWaalsContact O-CG 3.25Å; E441-L445 WeakPolarHBondContact O-CG 3.35Å; E441-L445 PolarHBondContact O-N 3.18Å; F443-L445 PolarHBondContact O-N 3.11Å; L445-K448 PolarHBondContact O-N 2.83Å; L445-K449 PolarHBondContact O-N 3.3Å
446R68.8Low62.5Low141 Ų141110.6 Ų110.653%0.53256%0.56SS.*Hα-helixtrans-65.9-43.1178.3-168.6153.772.7-132.814.9112.4K442 F443 K448 K449 S450K442-R446 WeakPolarHBondContact O-CB 3.48Å; K442-R446 PolarHBondContact O-N 3.49Å; F443-R446 PolarHBondContact O-N 3.01Å; R446-K448 VanDerWaalsContact C-N 3.31Å; R446-K448 PolarHBondContact O-N 3.26Å; R446-K449 PolarHBondContact O-N 3.47Å; R446-S450 PolarHBondContact O-N 3.4Å
447N60.5Low59.7Low89 Ų89117 Ų11748%0.47658%0.582SS.*Hα-helixtrans-62.6-35.3174.6-105.163.1000112.8F443 R444 K449 S450F443-N447 PolarHBondContact O-N 3.49Å; R444-N447 PolarHBondContact O-N 3.36Å; N447-K449 PolarHBondContact O-N 3Å; N447-S450 WeakPolarHBondContact CA-OG 3.36Å; N447-S450 PolarHBondContact O-N 3.4Å; N447-S450 PolarHBondContact O-OG 3.07Å
448K61.1Low57Low178 Ų178118.1 Ų118.177%0.77460%0.6SS**Hα-helixtrans-69.3-21.7177.9-162167.5-176.7177.60113R444 L445 R446R444-K448 PolarHBondContact O-N 3.18Å; R444-K448 VanDerWaalsContact O-N 3.07Å; L445-K448 PolarHBondContact O-N 2.83Å; R446-K448 VanDerWaalsContact C-N 3.31Å; R446-K448 PolarHBondContact O-N 3.26Å
449K52.4Low54.3Low175 Ų175121.2 Ų121.276%0.76162%0.616SS**Hα-helixtrans-80.7-22.4174.3-165.367.1173.9-177.90113.3L445 R446 N447L445-K449 PolarHBondContact O-N 3.3Å; R446-K449 PolarHBondContact O-N 3.47Å; N447-K449 PolarHBondContact O-N 3Å
450S48.1Very low51.4Low84 Ų84123.9 Ų123.959%0.58765%0.646SS**Hα-helixtrans-88.6-13.8-178.645.60000115.5R446 N447R446-S450 PolarHBondContact O-N 3.4Å; N447-S450 WeakPolarHBondContact CA-OG 3.36Å; N447-S450 PolarHBondContact O-N 3.4Å; N447-S450 PolarHBondContact O-OG 3.07Å
451S42.1Very low48.8Very low102 Ų102129.6 Ų129.671%0.71368%0.681SS**SBendtrans-94.310.5-174.8-620000115.3
452S42.4Very low46.4Very low95 Ų95135.5 Ų135.566%0.66471%0.706SS**SBendtrans-111.925.8-175.775.40000114.7
453V39.4Very low43.7Very low124 Ų124132.3 Ų132.375%0.75271%0.712SS**  trans-133.185.1173.3-172.90000110.1
454V32.7Very low41.4Very low134 Ų134138.6 Ų138.681%0.81275%0.746SS**  trans-126.1117.9161177.40000106.7
455R31.5Very low39Very low218 Ų218138.4 Ų138.482%0.82375%0.75SS**  trans-78.3130.3169.4-74.3179.5172174.5-3.7108.4F457R455-F457 PolarHBondContact O-N 3.41Å
456P31Very low36.8Very low118 Ų118138.5 Ų138.577%0.76675%0.75SS**  trans-73.6125.5170.629.5-31.8000110.1
457F25.3Very low34.8Very low206 Ų206135.7 Ų135.790%0.90476%0.758SS**  trans-109.9117.7158.7-102.8-83.4000107.3R455R455-F457 PolarHBondContact O-N 3.41Å
458S25.1Very low33.1Very low118 Ų118140 Ų14083%0.82578%0.775SS**  trans-113.5114.6175-62.10000109.1
459L26.7Very low31.3Very low170 Ų170139.2 Ų139.289%0.8977%0.774SS**  trans-82.7133.2172.4-160.379.5000109.3T461L459-T461 PolarHBondContact O-N 3.23Å
460A25Very low30Very low100 Ų100136.8 Ų136.883%0.82677%0.769SS**  trans-85.1111.5-175.800000112.5
461T29.3Very low28.9Very low134 Ų134139.5 Ų139.582%0.82278%0.775SS**  trans-90.613716245.30000110.7L459L459-T461 PolarHBondContact O-N 3.23Å
462K27.9Very low28.1Very low219 Ų219142.8 Ų142.895%0.95278%0.778SS**  trans-75.8143.4175.5-73.1179.1175.5176.80111.8
463G25.6Very low27.2Very low72 Ų72146.6 Ų146.674%0.74279%0.786SS**  trans16280.6175.300000108.4
464L27.2Very low26.4Very low157 Ų157144.1 Ų144.182%0.82278%0.778SS**  76.891.770.2-16675.8000113
465K25.4Very low26.1Very low150 Ų150141.9 Ų141.965%0.65277%0.769SS**  trans82.9137.2144.1-80.4-175.9127.8-670121.6
466D24.6Very low25.8Very low124 Ų124134.4 Ų134.466%0.66375%0.75SS**  trans65.7142.7143.7-50.9-9.5000118.4
467A28.6Very low25.8Very low83 Ų83135.2 Ų135.269%0.68675%0.747SS**  cis-164.1-176.4-16.400000110.5
468E23.8Very low26Very low178 Ų178130.4 Ų130.483%0.83274%0.735SS**  trans69.594.7157.3-71.1170-179.500120.8
469E23.6Very low26.1Very low163 Ų163131.8 Ų131.876%0.76273%0.733SS**  65.5134.6112.4-75.1-167.7-156.900125
470N24.5Very low26.9Very low123 Ų123129.1 Ų129.166%0.65873%0.726SS**  trans72.1141.6144.7-61.5-22.4000120.6
471M26.1Very low27.1Very low142 Ų142131.6 Ų131.670%0.772%0.724SS**  cis-164.1140-14.3179.3148.561.200111.7
472E24.4Very low27.1Very low170 Ų170132.4 Ų132.479%0.79472%0.723SS**  trans61.6160.3160.7-78.9172.2171.400120
473E23.1Very low27Very low175 Ų175129.7 Ų129.782%0.81872%0.717SS**  cis-148.8172.712.5-145.2-161.7128.800114.4
474A24.1Very low27.1Very low72 Ų72131.3 Ų131.360%0.59572%0.717SS**  trans76.380.7147.300000124.9
475S24.7Very low27Very low88 Ų88136.1 Ų136.162%0.61572%0.724SS**  53.1111122.865.30000126.6
476S25.1Very low27Very low61 Ų61132.7 Ų132.743%0.42773%0.732SS.*  51.7120.312469.40000126.5
477L32.3Very low27.1Very low134 Ų134133 Ų13370%0.70274%0.743SS**  47.8149.8121.7-56172.4000121.5T496L477-T496 HydrophobicContact CD1-CG2 4.15Å
478T30.1Very low26.9Very low106 Ų106132.9 Ų132.965%0.6575%0.751SS**  cis-166.3176.626.2-190000114
479N26.6Very low27.2Very low147 Ų147127.6 Ų127.679%0.78674%0.744SS**  trans93.8160.2144.8-87-0.3000122.8
480P42.5Very low27.6Very low113 Ų113127.4 Ų127.473%0.73475%0.754SS**  -137.1-156.3-127.847.6-29.6000118.4
481L29.1Very low27.7Very low153 Ų153130.7 Ų130.780%0.80177%0.765SS**  trans-49.4159.3169.5-87.664.2000113.8
482L30.3Very low27.7Very low150 Ų150132.7 Ų132.779%0.78577%0.773SS**  cis-158178.714-131.6173.2000110.4
483I25.5Very low28Very low162 Ų162131.5 Ų131.583%0.83177%0.771SS**  trans91.4155.1173.1-56.6177000116
484S27Very low28.3Very low107 Ų107131.4 Ų131.475%0.74877%0.768SS**SBendtrans-95.2163.9-157.7-53.30000116.4
485R26.2Very low28.5Very low257 Ų257130.7 Ų130.797%0.9777%0.767SS**  trans64.3116.4174.8-72.9179.2165.4164.5-5.2114.2
486G24.2Very low28.8Very low79 Ų79130.6 Ų130.681%0.81476%0.763SS**  trans-117.4165.617300000113.1
487S26.4Very low28.9Very low129 Ų129135 Ų13590%0.90278%0.781SS**  -169.7136123.1-162.10000110.9
488G26.1Very low28.6Very low82 Ų82134.7 Ų134.785%0.84579%0.785SS**  trans77151-179.900000115.1
489G28.6Very low28.6Very low67 Ų67137.6 Ų137.669%0.69180%0.797SS**  cis166.9146.8-8.800000112.9
490V32Very low28.5Very low158 Ų158134 Ų13496%0.95879%0.794SS**  trans66.9155.1178.1-52.40000118.7
491E27Very low27.9Very low192 Ų192135.1 Ų135.190%0.89780%0.799SS**  trans-125.8162.9-166-57.917386.700112.8
492E26.7Very low27.8Very low185 Ų185133.7 Ų133.786%0.86480%0.802SS**  trans-156.6164.4138.5-126.8-175.7115.700115.4
493L31.4Very low27.6Very low145 Ų145130 Ų13076%0.75980%0.8SS**  trans-63.5172.7-165.8-87.568.2000117.8
494K28.8Very low27.8Very low173 Ų173126.8 Ų126.875%0.75280%0.798SS**  cis-176.6151.3-13.1166.3174.6-179.4174.20110.9
495G27.7Very low27.8Very low56 Ų56129 Ų12958%0.57780%0.801SS**  trans130.3142.9149.700000119.1
496T32Very low27.9Very low86 Ų86127.4 Ų127.453%0.52880%0.795SS.*  trans-164.5135.6172.4-50.10000111.7L477L477-T496 HydrophobicContact CD1-CG2 4.15Å
497L26.8Very low28.1Very low153 Ų153129 Ų12980%0.80179%0.79SS**  trans-165.6144.8157.8-139.679000116.6
498T25.8Very low28Very low128 Ų128132.3 Ų132.379%0.78579%0.787SS**  trans64.6142.4148.835.70000125.3
499N29.1Very low27.9Very low168 Ų168134.5 Ų134.590%0.89879%0.79SS**  trans-74.4163.2160.8-75.6-23.8000112.8
500G26.2Very low27.7Very low72 Ų72134.4 Ų134.474%0.74279%0.789SS**  trans-157.1117.4170.300000116.4
501T28.2Very low27.5Very low136 Ų136132.2 Ų132.283%0.83478%0.781SS**  trans-31.2157.3163.322.50000118.8
502S27.2Very low27.4Very low123 Ų123128.6 Ų128.686%0.8677%0.772SS**  -170.6160.475.9-61.60000112.4
503G26.7Very low27.5Very low71 Ų71128.1 Ų128.173%0.73277%0.77SS**  cis172.5-160.2-0.300000112.7
504A29.2Very low27.3Very low96 Ų96128 Ų12879%0.79377%0.769SS**  trans80.8102.8167.500000121.9
505N28.3Very low27.4Very low154 Ų154129 Ų12982%0.82477%0.774SS**  62.1112.8125.5-69.8-16000125
506R28.1Very low28.1Very low222 Ų222131.4 Ų131.484%0.83878%0.779SS**  58.6108.1122.4-83.6-171170-161.4-1.4122.3
507T27.3Very low27.7Very low114 Ų114135.6 Ų135.670%0.69980%0.795SS**  65.8120.7126.757.10000123.5
508K25.8Very low28.2Very low197 Ų197133.7 Ų133.786%0.85779%0.794SS**  trans72.7110134.1-70.2-174.4175.7-174.30121.7
509S23.9Very low30Very low128 Ų128133.1 Ų133.190%0.89579%0.793SS**  66.8131.3110.1-160.60000121.8
510G24.3Very low30.9Very low66 Ų66130.5 Ų130.568%0.6879%0.785SS**  trans116.9129.5174.100000111.4
511S26.1Very low31.2Very low111 Ų111138.7 Ų138.778%0.77679%0.793SS**  cis73.1128.940.2-1480000111.8
512T26.7Very low31.3Very low117 Ų117138.4 Ų138.472%0.71879%0.791SS**  cis-163.115413.3-16.30000112.5
513E27.1Very low32.4Very low174 Ų174137.7 Ų137.781%0.81378%0.784SS**  trans60.2170.1163.2-51.5-156.992.400118.5
514L28.5Very low32.6Very low144 Ų144140.1 Ų140.175%0.75478%0.784SS**  cis-142164.712.9-77.6165.7000113.7
515K29.5Very low32.6Very low193 Ų193140.1 Ų140.184%0.83978%0.779SS**  trans-21170.7158.4-79173.5170.1170.70120.5
516P43.7Very low32.6Very low107 Ų107140.5 Ų140.570%0.69578%0.775SS**  cis-142.8-154.7-41.742.2-21.3000113.8
517M23.6Very low32.6Very low174 Ų174134.5 Ų134.586%0.85777%0.767SS**  trans89.9169163.2-73164.962.500121.3
518S37.1Very low32.6Very low112 Ų112134.7 Ų134.778%0.78377%0.773SS**  trans-162.1-175.1-170.9-45.60000109.7
519P63.6Low32.6Very low117 Ų117129.5 Ų129.576%0.7677%0.767SS**  cis-119.7-165-22.641.7-25.2000111.6
520P47.5Very low32.7Very low112 Ų112128.8 Ų128.873%0.72776%0.762SS**  -163.115687.642.1-20.3000121.3
521R31.8Very low33Very low244 Ų244130.9 Ų130.992%0.92177%0.766SS**  trans60.8163.2135.8-68.8-174.1173.1177.9-1.6126.1
522T31Very low33.8Very low130 Ų130130.7 Ų130.780%0.79876%0.762SS**  trans-119.4-173.1-174.255.10000111.8
523P50Low33.8Very low109 Ų109132.5 Ų132.571%0.70877%0.767SS**  -162.4159.697.543.9-24.1000120.5
524V32.1Very low33.6Very low122 Ų122129.1 Ų129.174%0.73976%0.762SS**  trans47160.1159.2-103.30000122
525S28.1Very low33.5Very low96 Ų96127.9 Ų127.967%0.67177%0.766SS**  cis-148.3143.47.7-92.30000110.2
526H29.3Very low33.5Very low161 Ų161123.5 Ų123.575%0.74577%0.765SS**  55.8136.385.5-57.5-59000116.8
527S27.9Very low32.6Very low96 Ų96122.4 Ų122.467%0.67177%0.774SS**  cis-170.9169.6-10-86.30000111.6
528S26.6Very low32.7Very low119 Ų119118.1 Ų118.183%0.83277%0.774SS**  trans80.7116.8147.4-60.30000124.6
529A26.1Very low32.4Very low87 Ų87117.2 Ų117.272%0.71977%0.774SS**  86.5134.1118.500000125.1
530S26.5Very low30.7Very low113 Ų113118.8 Ų118.879%0.7978%0.775SS**  trans64.4120.3134.862.60000123.7
531S29.8Very low29.9Very low111 Ų111119 Ų11978%0.77677%0.774SS**  trans-58.2172.6142-25.80000111.5
532P44.6Very low29.7Very low106 Ų106112.8 Ų112.869%0.68877%0.768SS**  cis-151.3-158.527.744-21.2000115.8
533L24.9Very low30Very low156 Ų156110.6 Ų110.682%0.81776%0.763SS**  trans59.2177.5155.7-91.861.3000118.1
534S24.8Very low29.6Very low102 Ų102110.7 Ų110.771%0.71376%0.764SS**  -173.3140.5-55.6-92.60000111.3
535S26.3Very low29.6Very low119 Ų119112.2 Ų112.283%0.83277%0.767SS**  trans69.4146.6152.1-152.50000122.2
536A28.5Very low30.2Very low100 Ų100112.9 Ų112.983%0.82677%0.769SS**  trans57.2150.3160.200000120.2
537G25.5Very low30.3Very low85 Ų85117 Ų11788%0.87678%0.778SS**  cis154.7129.2-8.800000112.5
538G25.8Very low30.7Very low83 Ų83121.9 Ų121.986%0.85679%0.79SS**  trans172.9158.4179.500000114.9
539A29.6Very low30.7Very low94 Ų94119.6 Ų119.678%0.77779%0.786SS**  trans-80.9179.4-175.400000113.1
540D27.4Very low31.2Very low149 Ų149123.6 Ų123.680%0.79779%0.789SS**  cis-161.6170.716.7-145.6-24.1000113.4
541V32Very low31.5Very low116 Ų116127 Ų12770%0.70379%0.79SS**  trans58.5119161-1740000121.9
542S28Very low31.5Very low114 Ų114128.8 Ų128.880%0.79779%0.789SS**  trans14.9149.1142.9-53.60000122.6
543A37.5Very low30.8Very low84 Ų84131.1 Ų131.169%0.69479%0.794SS**  cis-175.6164.9-6.400000107.1
544P41.6Very low30.8Very low111 Ų111129.5 Ų129.572%0.72180%0.797SS**  cis-143151.63439.4-18000120.3
545L31.1Very low30.9Very low155 Ų155130.2 Ų130.281%0.81280%0.802SS**  trans25.4155137.4-64.5114.7000123.8
546P40Very low32Very low109 Ų109130.3 Ų130.371%0.70880%0.799SS**  cis-137.7120.6-46.135.9-17.8000112.8
547R32.8Very low31.8Very low248 Ų248134.2 Ų134.294%0.93680%0.8SS**  84.2114.470.8-86.3-92.2175.6148.8-3.1117
548H36Very low32.5Very low198 Ų198135.2 Ų135.292%0.91779%0.791SS**  trans-76.3168.8162.4-96-97000112.7
549G26.4Very low32.5Very low72 Ų72136.7 Ų136.774%0.74279%0.788SS**  trans-166158.2165.600000114.2
550Q35.2Very low32.4Very low170 Ų170140.9 Ų140.979%0.79479%0.792SS**  trans-153.7138.5-176.5-116.7-176.9-8.700113
551F33.6Very low33.1Very low184 Ų184138.8 Ų138.881%0.80779%0.786SS**  trans63.7156154.7-69.2-66.2000124.5
552I28.8Very low33Very low149 Ų149137.6 Ų137.676%0.76478%0.783SS**  trans94.898.6157.8-45.7-163.9000121.1
553I30.9Very low33.1Very low155 Ų155139.8 Ų139.880%0.79578%0.781SS**  32.8128.8129.1-53.4171.4000121.6
554S24Very low32.7Very low123 Ų123141.6 Ų141.686%0.8678%0.778SS**  trans-166.9164.3133.9-830000113.2
555S28.3Very low32Very low117 Ų117145 Ų14582%0.81878%0.778SS**  trans-130167176.7-1380000109.1
556P47.8Very low31.8Very low120 Ų120145.3 Ų145.378%0.77977%0.769SS**  -147.9-161.454.539.5-15.8000116.7
557H25.1Very low31Very low182 Ų182149.3 Ų149.384%0.84377%0.77SS**  trans-50.8172.5173.2-83.2-54.8000117
558P41.2Very low30.7Very low106 Ų106144.1 Ų144.169%0.68876%0.757SS**  cis-141.2-178.41435.9-13.4000119.1
559S24.3Very low30.5Very low114 Ų114140.5 Ų140.580%0.79775%0.751SS**  trans71.1155.1146.548.50000124.3
560Q28.2Very low30.4Very low182 Ų182144.1 Ų144.185%0.8575%0.748SS**  trans-95.4-167.9174.9-58.9-170.5-11.300111.2
561P42.4Very low30.8Very low105 Ų105142.3 Ų142.368%0.68275%0.751SS**  cis-145.8-164.85.644.2-22.1000118.6
562S30.1Very low30.4Very low92 Ų92137.2 Ų137.264%0.64375%0.751SS**  trans78.7149.7152.9-680000120.2
563E29.7Very low30.2Very low160 Ų160141.3 Ų141.375%0.74876%0.758SS**  cis-174171.7-15.7-114.717293.600110.4
564L28.5Very low30Very low122 Ų122140 Ų14064%0.63975%0.752SS**  cis-133.7-92.3-11-154.8-175000110.7
565Y26.5Very low30.2Very low182 Ų182140 Ų14071%0.71475%0.747SS**  cis-158104.3-16.9-147.5-67.8000113.6
566Y27.1Very low30.2Very low161 Ų161136.6 Ų136.663%0.63173%0.731SS**  trans65.8159.2162.9-85.8-133.6000121.4
567R24.3Very low29.4Very low193 Ų193140.5 Ų140.573%0.72874%0.739SS**  cis-174149.8-30.6178.7169.8177.5166.4-1110.2
568E25.8Very low29.5Very low140 Ų140141.8 Ų141.865%0.65474%0.742SS**  trans-70.4147.6174.5-140.5178.1-179.400113H570E568-H570 IonicContact OE1-CE1 3Å; E568-H570 PolarHBondContact OE1-CE1 3.27Å; E568-H570 IonicContact OE1-ND1 3.65Å; E568-H570 PolarHBondContact OE1-ND1 2.89Å; E568-H570 VanDerWaalsContact OE1-ND1 3.12Å; E568-H570 IonicContact OE2-CE1 3.91Å
569P32.2Very low28.8Very low122 Ų122143.7 Ų143.779%0.79274%0.742SS**  -148.1169.195.138.6-21.5000116.3
570H24.8Very low29.3Very low148 Ų148143.6 Ų143.669%0.68574%0.739SS**  trans-85.3-171.5174.4-4.1-86.3000112.7E568E568-H570 IonicContact OE1-CE1 3Å; E568-H570 PolarHBondContact OE1-CE1 3.27Å; E568-H570 IonicContact OE1-ND1 3.65Å; E568-H570 PolarHBondContact OE1-ND1 2.89Å; E568-H570 VanDerWaalsContact OE1-ND1 3.12Å; E568-H570 IonicContact OE2-CE1 3.91Å
571P43.5Very low29.2Very low132 Ų132140.4 Ų140.486%0.85773%0.728SS**  cis-132174.5-31.234.8-17.9000113.3
572G24.4Very low28.3Very low77 Ų77141 Ų14179%0.79473%0.733SS**  trans-171123.1169.500000116.6
573Y26.1Very low28.2Very low235 Ų235140.4 Ų140.492%0.92273%0.729SS**  trans-76.7158.7160.8-82.7-103.5000109.4
574D25.4Very low27.9Very low126 Ų126143.5 Ų143.567%0.67474%0.735SS**  cis-159.8-167.3-14.9-167.239.4000104.6
575T28.7Very low27.9Very low123 Ų123147.8 Ų147.876%0.75574%0.744SS**  cis-153150.811.9-57.80000106.4
576G28.2Very low29Very low47 Ų47144 Ų14449%0.48574%0.742SS.*  cis147.61721.600000109.4
577H31.6Very low28.9Very low201 Ų201142.1 Ų142.193%0.93175%0.752SS**  trans-151.9156.8165.6-107.652000109.6
578F26.3Very low29Very low210 Ų210136.9 Ų136.992%0.92175%0.75SS**  trans-81.9145.4-149.8-106.9-108.7000118
579Q27.4Very low29.1Very low146 Ų146138.3 Ų138.368%0.68276%0.762SS**  trans-98.8-162.7162.5-118.5-168.542.700109.2
580P34.9Very low29.1Very low112 Ų112141.2 Ų141.273%0.72776%0.764SS**  cis-122.4-179.36.142.6-26.1000113.1
581N24.6Very low29.4Very low115 Ų115139.8 Ų139.862%0.61577%0.768SS**  cis91.1118.214.7-168.532.2000118.6
582C24.5Very low29.3Very low118 Ų118138.4 Ų138.480%0.79776%0.759SS**  trans-160118.3150.6-95.20000107.5
583S27.1Very low29.4Very low79 Ų79141.7 Ų141.755%0.55275%0.753SS**  79132.274.2-63.90000112.6
584Y24Very low29.3Very low225 Ų225138.8 Ų138.888%0.88275%0.745SS**  cis-111.8161.921.9-66.6-109.5000112.7
585Y28.9Very low29.2Very low212 Ų212138.3 Ų138.383%0.83175%0.752SS**  cis87.7141.929.3-100.5-118.7000116.3
586P50.2Low29.1Very low102 Ų102137.5 Ų137.566%0.66275%0.75SS**  -145.4-174.6-124.944.2-24.1000117
587S24.7Very low29Very low121 Ų121142.4 Ų142.485%0.84676%0.762SS**  trans173.4151.9151.1-83.20000111
588A26.7Very low28.6Very low83 Ų83137.1 Ų137.169%0.68675%0.753SS**  cis-161144-17.200000111.9
589L26.4Very low28.6Very low171 Ų171137.2 Ų137.290%0.89575%0.747SS**  trans46.3123149.2-56.9173.7000122.9
590H32.8Very low28.5Very low183 Ų183140.7 Ų140.785%0.84776%0.761SS**  trans-79161.6152.3-72.5-78000111.3
591P31.5Very low27.9Very low118 Ų118142.7 Ų142.777%0.76676%0.764SS**  -142.6-161.497.546.4-30.7000112.2
592P41.8Very low28.3Very low102 Ų102148.8 Ų148.866%0.66278%0.779SS**  -141.7175.7-101.841.5-20000119
593H26Very low28.2Very low146 Ų146149.1 Ų149.168%0.67678%0.782SS**  trans65.7124.6143.2-78.6-26.7000124.5
594K24.1Very low28.1Very low175 Ų175149.8 Ų149.876%0.76179%0.787SS**  trans60.7123.8130.9-58.7168.1-177.8169.90119.5
595S23.8Very low28.3Very low116 Ų116146.1 Ų146.181%0.81178%0.783SS**  177.1152.791.9-159.20000115.5
596C25.1Very low28.3Very low105 Ų105142 Ų14271%0.70978%0.779SS**  trans-13.7149.8158.2-134.10000122.8
597M26.4Very low27.2Very low151 Ų151144.5 Ų144.574%0.74478%0.782SS**  trans59.4112.9141-77.2-85.9172.700122.4
598A24.5Very low27.2Very low90 Ų90146.1 Ų146.174%0.74478%0.776SS**  trans-154.9138.7139.300000108
599R26Very low27.3Very low211 Ų211146.9 Ų146.980%0.79678%0.777SS**  cis64.384.828.3-62.3-171.7-177.21560.2115.1L601R599-L601 PolarHBondContact O-N 2.82Å
600F23.9Very low27.3Very low220 Ų220144.5 Ų144.597%0.96578%0.775SS**  trans-81.987.5157.4-80.6-74.3000110.7
601L23.1Very low27.2Very low153 Ų153143.6 Ų143.680%0.80178%0.775SS**  trans-91.3150.3150.1-92.5166.3000108.6R599R599-L601 PolarHBondContact O-N 2.82Å
602R32Very low27.8Very low243 Ų243143.4 Ų143.492%0.91777%0.774SS**  trans-65.5141.5163.8-73.1177.3172.6168.6-4109.1
603S23.4Very low28.2Very low125 Ų125143.6 Ų143.687%0.87478%0.775SS**  trans-137.2131.4150.7-73.60000109.8
604S25.5Very low28.4Very low93 Ų93141.7 Ų141.765%0.6578%0.778SS**  trans-113.5178.3162.461.20000108.7
605N28.1Very low28.6Very low148 Ų148139.2 Ų139.279%0.79178%0.783SS**  trans75.7156.4177.8-33.6-17.6000111.9
606V28.7Very low28.7Very low126 Ų126137.4 Ų137.476%0.76478%0.783SS**  cis-130.4156.47.8-147.20000106.1
607Q25.8Very low28.8Very low155 Ų155139.2 Ų139.272%0.72479%0.79SS**  cis-136.3-159.322.5-145.1135.2-87.500108.1
608E25.9Very low28.9Very low154 Ų154136.7 Ų136.772%0.7279%0.788SS**  cis-149.5158.110.1-164.3131.1-108.300114.4
609S27.6Very low29.1Very low100 Ų100138 Ų13870%0.69979%0.791SS**  trans-11.7119.1166.1-53.70000120.9
610S26.9Very low29.2Very low121 Ų121138.3 Ų138.385%0.84679%0.794SS**  -177167.8110.238.50000113.2
611L31.1Very low30.7Very low163 Ų163132.4 Ų132.485%0.85378%0.777SS**  trans-128.3171.4-174.5-73.4170.1000109.2
612P43.8Very low30.9Very low114 Ų114132.7 Ų132.774%0.7478%0.78SS**  cis-127.4-131.2-2827.8-2.5000111.3
613P51.3Low31Very low107 Ų107128.3 Ų128.370%0.69577%0.774SS**  -128.7173-101.341.5-25.2000116.4
614S28.5Very low32.2Very low105 Ų105126.8 Ų126.873%0.73476%0.762SS**  163.7139.8122.7-73.40000115.9
615S28.7Very low32.5Very low124 Ų124131.3 Ų131.387%0.86777%0.772SS**  trans30.3141.5136.3-480000123.4
616G27Very low32.6Very low78 Ų78128.4 Ų128.480%0.80477%0.769SS**  trans153.976.7146.600000121.3
617V27.6Very low33.4Very low142 Ų142128.4 Ų128.486%0.86177%0.772SS**  trans-5.5129.7145.7174.80000120.5
618S28.3Very low33.6Very low99 Ų99129.5 Ų129.569%0.69278%0.776SS**  trans38.5134138.1-161.80000123.3
619S28.1Very low35Very low116 Ų116128 Ų12881%0.81178%0.78SS**  173.3169.1110.446.60000115.9
620Y28.5Very low35.1Very low219 Ų219127.2 Ų127.286%0.85978%0.78SS**  trans-88-165.7-179.2-73.2-87.1000112.8
621P55.1Low35.3Very low96 Ų96127.1 Ų127.162%0.62378%0.779SS**  -131.4179.1-51.632.6-14.7000113.5
622N28.1Very low35.3Very low159 Ų159124.9 Ų124.985%0.8578%0.777SS**  160.3159122.2-85.3-34.2000116.2
623D32.2Very low35.7Very low150 Ų150125.2 Ų125.280%0.80278%0.779SS**  trans-95.3-170.8171-145.720.5000109
624P48.8Very low35Very low94 Ų94126 Ų12661%0.6179%0.787SS**  cis-147.7-168.212.946-24.3000119
625Q31.7Very low35.1Very low187 Ų187126.7 Ų126.787%0.87479%0.792SS**  trans93.5153145.8-86.7178.9-19.100122.9
626A31.3Very low34.9Very low88 Ų88124.5 Ų124.573%0.72779%0.789SS**  trans-145.5172-176.800000110.9
627P45.4Very low35.2Very low125 Ų125130.9 Ų130.981%0.81280%0.795SS**  -148.7-166.7122.137.1-18.2000116.5
628H30.9Very low36.2Very low178 Ų178129.8 Ų129.882%0.82479%0.791SS**  trans-106.4-153.9-160-53.9-90.8000114.6
629P54.3Low37.6Very low122 Ų122130.3 Ų130.379%0.79279%0.792SS**  -130.2-175.3-72.535.5-17.3000115.3
630A29.6Very low38Very low85 Ų85134.6 Ų134.670%0.70279%0.79SS**  145.6137.3121.100000119.8
631S30.6Very low38.3Very low119 Ų119129 Ų12983%0.83278%0.775SS**  trans69.2161.6146.847.70000124.2
632S31Very low37.2Very low115 Ų115132.2 Ų132.280%0.80478%0.782SS**  trans-147.5-166.6-163.9-53.40000111.2
633P53.3Low37.4Very low121 Ų121133.1 Ų133.179%0.78678%0.783SS**  -136.3164.3-65.839.1-22.2000117.6
634S35.9Very low37.1Very low124 Ų124129.1 Ų129.187%0.86778%0.778SS**  trans52.9141138.5-1590000126
635S30.4Very low36.2Very low120 Ų120128.4 Ų128.484%0.83979%0.787SS**  trans-164.2142.7152.666.90000113.8
636G24.8Very low37.5Very low77 Ų77125.3 Ų125.379%0.79478%0.783SS**  trans126147.6153.400000121.1
637F32.8Very low37.4Very low212 Ų212127.2 Ų127.293%0.9379%0.786SS**  trans-117.2-168.9165.9-74-89000108.5
638P50.3Low36.8Very low119 Ų119129.7 Ų129.777%0.77378%0.784SS**  cis-131.2-114.5-0.526.82.3000118.1
639P56.6Low36.9Very low110 Ų110129.2 Ų129.271%0.71478%0.782SS**  -135.8-177-110.742.7-23.7000120.8
640R37.4Very low36.7Very low206 Ų206127.9 Ų127.978%0.77777%0.774SS**  122.3145.4124.6-132.8-168.1142.2175.5-18.5123.5
641D33.6Very low36.8Very low103 Ų103132.3 Ų132.355%0.55178%0.779SS**  trans69.8161.3147.1-92.631.3000123
642Q32.1Very low37.9Very low162 Ų162132.6 Ų132.676%0.75778%0.778SS**  cis-168.2132.7-9.3175.8-179.9130.500116.8
643M31.9Very low37.7Very low179 Ų179130.5 Ų130.588%0.88278%0.775SS**  trans63.4143.2142.2-154.757.6178.700128.8
644G26.8Very low36.7Very low66 Ų66134.5 Ų134.568%0.6878%0.783SS**  trans173.6170.5163.500000112.4
645G29.7Very low36.4Very low79 Ų79131.5 Ų131.581%0.81477%0.772SS**  cis178.3150.8-10.800000112.7
646P58.7Low36.4Very low122 Ų122134.7 Ų134.779%0.79277%0.774SS**  trans-135.9167.8-16543.1-28.2000120.7
647T30.5Very low36.7Very low128 Ų128140.8 Ų140.879%0.78577%0.774SS**  trans163.8110.1136.6-72.40000118.4
648F32.2Very low36.2Very low177 Ų177141.4 Ų141.478%0.77677%0.77SS**  trans42.2127.9138.8-68.5-76.4000130.6
649H31.7Very low35.3Very low167 Ų167144.2 Ų144.277%0.77377%0.773SS**  89.2156.2127-81.1-17.5000126.7
650P50.2Low34Very low95 Ų95147.5 Ų147.562%0.61778%0.783SS**  trans-141.6-154.8-142.945.4-23.2000117.7
651H32.5Very low33.5Very low177 Ų177141.9 Ų141.982%0.81978%0.781SS**  trans124.9158.4156-76.9-51.5000119.8
652P53Low34Very low125 Ų125142.8 Ų142.881%0.81279%0.793SS**  trans-128.9-164.6-139.648-35.5000117.6
653G27.1Very low33.7Very low72 Ų72138.8 Ų138.874%0.74279%0.787SS**  trans-169.1165.8171.400000117.6
654Q32.7Very low33.6Very low204 Ų204139.6 Ų139.695%0.95379%0.788SS**  trans-155.1173.7-180-65.2-168.98.200109.7
655G28.9Very low33.6Very low61 Ų61139.6 Ų139.663%0.62979%0.788SS**  cis166.5-158.82.200000111.2
656Q30.7Very low33.4Very low187 Ų187142.3 Ų142.387%0.87479%0.789SS**  trans72.4156.1170.7-51.1-165.88.300117.1
657Y31.2Very low31.9Very low206 Ų206145.5 Ų145.581%0.80879%0.786SS**  cis-161.2167.1-21.6-133.9-92.9000112.7
658R23.2Very low31.8Very low224 Ų224143 Ų14385%0.84578%0.779SS**  trans88.6144.9150.4-168.5165.4-88.6160.4-5.7120.4
659H30Very low31.9Very low178 Ų178140.9 Ų140.982%0.82478%0.783SS**  trans-114169.1-174.8-60.3-102.7000113.4
660L29.8Very low31.7Very low179 Ų179139.5 Ų139.594%0.93778%0.78SS**  -162.8171.6115-99.8165.5000111.3
661A27Very low30.7Very low88 Ų88145.6 Ų145.673%0.72779%0.793SS**  trans-133.3-172.3-167.500000110.4
662P45.1Very low30.4Very low123 Ų123143.3 Ų143.380%0.79979%0.787SS**  cis-145.8-169.68.444.5-24000118
663A25.5Very low29.2Very low77 Ų77141 Ų14164%0.63677%0.774SS**  trans105.7137.4146.600000120.7
664H28.6Very low29.5Very low196 Ų196149 Ų14991%0.90778%0.781SS**  trans63142.9177.2-48.4-84.5000116.9
665G26.9Very low29.3Very low66 Ų66151.2 Ų151.268%0.6878%0.781SS**  cis169.297.8-12.200000115
666V26.9Very low29.4Very low136 Ų136154.6 Ų154.682%0.82479%0.789SS**  trans44.4113.9142.5-177.90000117.5
667Y26.9Very low29.1Very low189 Ų189156.2 Ų156.274%0.74179%0.787SS**  -169.6161.864.5-157.2-85.8000110.9
668A26.9Very low28.9Very low77 Ų77155.8 Ų155.864%0.63678%0.784SS**  trans-137.1151.8171.300000111.4
669P35.7Very low29.1Very low131 Ų131151.2 Ų151.285%0.85178%0.784SS**  trans-78.7161.9-158.730.8-36.8000116.2
670L27.8Very low28.9Very low138 Ų138151 Ų15172%0.72378%0.783SS**  trans-95.1139.1-178.4-64.6166.5000112.5
671Y27.7Very low28.8Very low224 Ų224149.8 Ų149.888%0.87878%0.776SS**  -169.1125.5127.2-125.6-90000111.5
672D27.1Very low28.8Very low129 Ų129156.8 Ų156.869%0.6979%0.786SS**  161.2158.5111.5-16739.4000114.8
673S28.2Very low27.9Very low77 Ų77158.4 Ų158.454%0.53878%0.782SS.*  trans60.1102.1153.6-81.60000122.4
674R32.1Very low28Very low238 Ų238165.9 Ų165.990%0.89879%0.794SS**  31.8114.6121.8-56.9176-171.8-113.32.5118.3
675R29.6Very low28Very low252 Ų252163.4 Ų163.495%0.95178%0.783SS**  trans-139.7149.4141.3-71.7-162.5-178.2-153.9-0.2112.1
676V30.2Very low28.2Very low132 Ų132167.5 Ų167.580%0.879%0.789SS**  trans-89.1143.3170.9173.10000108.9
677W25.7Very low28.4Very low221 Ų221164.6 Ų164.684%0.83778%0.779SS**  trans-159.1163.5145-112.897000113.3
678R25.5Very low28.5Very low197 Ų197167.3 Ų167.374%0.74379%0.788SS**  trans-76.1162-179.7-68.3-179.1168.9106.6-6.8113.1
679P28.3Very low28.5Very low128 Ų128168.5 Ų168.583%0.83179%0.792SS**  trans-62.8153.8168.9-17.731.4000112.7
680Q25.4Very low28.1Very low173 Ų173170 Ų17081%0.80879%0.793SS**  trans-130.6164166.7-97.1-65.74.600111.6
681L28.5Very low28.2Very low153 Ų153168.9 Ų168.980%0.80180%0.796SS**PPolyproline II helixtrans-80.5169.2-164.9-70.3157.4000114.1
682Y27Very low28.2Very low235 Ų235166 Ų16692%0.92280%0.796SS**PPolyproline II helixtrans-53.6137.5179.1-78.4-98.1000113.4
683H25.9Very low29.2Very low158 Ų158165.2 Ų165.273%0.73180%0.797SS**PPolyproline II helixtrans-99.7144.6157-161.2-91.4000109.4E685H683-E685 IonicContact CE1-OE1 2.73Å
684R27.7Very low30.2Very low234 Ų234166.8 Ų166.888%0.88381%0.806SS**  trans-150.1129.7174.8176.9173.7-178.9171.52.1110.5
685E27.2Very low30Very low144 Ų144163.3 Ų163.367%0.67380%0.8SS**  trans-99.3160.8166.1-69.5156.3158.300107.9H683H683-E685 IonicContact CE1-OE1 2.73Å
686D31.5Very low30Very low151 Ų151156.9 Ų156.981%0.80779%0.788SS**  cis-155.6163.628-153.2-12.1000113.6
687A30.9Very low30Very low75 Ų75156.7 Ų156.762%0.6278%0.782SS**  trans20.9126.6160.600000123.2
688R28.7Very low30.1Very low246 Ų246153.9 Ų153.993%0.92878%0.778SS**  179.5155.399-95.6175.8-179158.43.2115.6
689S28.1Very low30.2Very low102 Ų102149.3 Ų149.371%0.71378%0.776SS**  trans-59.4157.4-170.8-36.50000118.6
690N27.7Very low30.2Very low162 Ų162148.3 Ų148.387%0.86677%0.772SS**  -170.4175116.6-94.3-14.8000114.8
691S29.6Very low30.3Very low115 Ų115146 Ų14680%0.80477%0.769SS**  trans-82-179.8-150.8-43.50000119.2
692L27Very low30.1Very low164 Ų164149 Ų14986%0.85977%0.772SS**  trans-94.6-151.8-175.3-61.1165.9000113.4
693P48.7Very low30Very low112 Ų112146 Ų14673%0.72777%0.766SS**  -119.4-144.7-105.643.4-23.3000110.7
694P48.1Very low30.8Very low110 Ų110144 Ų14471%0.71477%0.767SS**  cis-118.1-160-20.425.61.2000111.1
695E29Very low31.1Very low165 Ų165138.9 Ų138.977%0.77176%0.764SS**  cis-167160.742-82.7-160.4137.400114.4
696V30.2Very low31.2Very low118 Ų118140 Ų14072%0.71577%0.774SS**  trans55.2130.1138.3169.80000120.3
697L30Very low31.2Very low127 Ų127143.9 Ų143.967%0.66578%0.777SS**  cis-156.1-174.4-12.2-103.5177.8000106.1
698H27.9Very low30.9Very low163 Ų163149.8 Ų149.876%0.75579%0.792SS**  cis-133.1164.717.3-78.9-92.1000109.5
699S26.7Very low30.9Very low101 Ų101148.5 Ų148.571%0.70679%0.787SS**  cis74.3117.147.9-136.40000113.4
700S27.7Very low30.7Very low107 Ų107153.5 Ų153.575%0.74880%0.796SS**  cis-155.6-174.912.660.20000110.4
701V28Very low30.6Very low123 Ų123152.9 Ų152.975%0.74579%0.793SS**  cis-160165.41381.40000112.4
702Y24.8Very low30.4Very low218 Ų218152.4 Ų152.486%0.85579%0.79SS**  trans72.8158.1165.8-106.9-98000122.2
703Q24.4Very low30.4Very low171 Ų171151.6 Ų151.680%0.79979%0.785SS**  trans-128.5163.4-157.1-76.7175.2-90.400114.3
704P43.9Very low29.4Very low117 Ų117152.7 Ų152.776%0.7679%0.785SS**  trans-93162173.538.1-36.1000113.9
705P33.6Very low28.3Very low125 Ų125151.1 Ų151.181%0.81278%0.777SS**  trans-95.9170.5160.736.9-31.5000112.8
706L29Very low28Very low168 Ų168150.7 Ų150.788%0.8878%0.78SS**  trans-114156.2-176.8-73.3166.1000112.7
707R30.7Very low27.9Very low233 Ų233154.3 Ų154.388%0.87978%0.782SS**  trans20.5132.8154.3-74.1-177.5173.7168.7-0.3119.2
708E25.4Very low27.6Very low198 Ų198153 Ų15393%0.92578%0.782SS**  -152.3177.6103.2-122.5171.9-16200113.4
709R28Very low27.5Very low220 Ų220150.7 Ų150.783%0.8379%0.785SS**  trans-112.5149.6-178.8-65.2176.1177145.9-8.1110.2
710F24.3Very low27.6Very low207 Ų207149.8 Ų149.891%0.90879%0.791SS**  trans-141.7137141.6-112-84.3000110.7
711N25.3Very low27.5Very low148 Ų148149.7 Ų149.779%0.79180%0.797SS**  trans-94.7153.3165.4-72.41.6000108.6
712S25.7Very low27.5Very low106 Ų106152 Ų15274%0.74180%0.8SS**  trans-158.9129.3140.5-156.70000112.6
713L28Very low27.7Very low146 Ų146148.9 Ų148.976%0.76479%0.792SS**  trans54.579.6152.1-67.1165.7000119.4
714D26.1Very low27.7Very low135 Ų135151.6 Ų151.672%0.72280%0.795SS**  39.7111.8107.9-56.2-55.1000120.1
715S24.8Very low26.8Very low78 Ų78151 Ų15155%0.54580%0.8SS.*  32.5128102.1-1670000118.6
716N24.4Very low26.5Very low156 Ų156148.6 Ų148.683%0.83480%0.799SS**  -174.4171.7102.2-86.3-25000111.8
717Y27.3Very low26.4Very low194 Ų194148.4 Ų148.476%0.76180%0.797SS**  cis178.8133.6-49.6-152.6-117.6000105.7
718C24.3Very low26.2Very low99 Ų99145 Ų14567%0.66979%0.791SS**  trans78.6151.3145.1-105.20000125.3
719S25.4Very low26.3Very low115 Ų115145.3 Ų145.380%0.80478%0.784SS**  trans72.3130.3146.8-61.70000120
720G28.1Very low26.1Very low81 Ų81139.6 Ų139.684%0.83577%0.77SS**  trans-108.5176.2166.300000112.3
721A25.6Very low26.2Very low106 Ų106140.7 Ų140.788%0.87677%0.769SS**  trans-150.3178.5173.200000110
722E29.1Very low26.2Very low171 Ų171137.6 Ų137.680%0.79977%0.773SS**  trans-98.7-179.4-165.1-59174110.800114.7
723H27.6Very low26.3Very low152 Ų152144.2 Ų144.270%0.70478%0.782SS**  trans81106.5157.5-68.2-57.7000122.5
724R26.1Very low26.1Very low228 Ų228143.3 Ų143.386%0.8678%0.782SS**  56.8111.4126.5-81.4-175.3167.9152.9-2.5121.7
725A24.8Very low26.8Very low105 Ų105141.8 Ų141.887%0.86878%0.779SS**  70.4124119.900000121
726G26.4Very low27Very low75 Ų75146.3 Ų146.377%0.77380%0.796SS**  trans-175.787.6171.400000115.8
727L27.8Very low26.9Very low163 Ų163142.4 Ų142.485%0.85379%0.793SS**  trans42.2109.2146.1-64.5170.6000122.3
728H25.7Very low26.8Very low162 Ų162142.9 Ų142.975%0.7580%0.795SS**  80.9143.2115.5-140.4-73.5000122.2
729R26.6Very low26.8Very low205 Ų205144.8 Ų144.877%0.77479%0.794SS**  trans105.591145.9-138.3168.8-167.2179.16.6121.6
730D25.7Very low26.8Very low99 Ų99143.8 Ų143.853%0.52978%0.78SS.*  74.9131.7124.4-55.5-8.5000125
731Y24.8Very low26.7Very low230 Ų230147.7 Ų147.790%0.90278%0.78SS**  trans50130.2150.6-64.2-64000123.1
732G25.7Very low26.9Very low84 Ų84148 Ų14887%0.86676%0.762SS**  trans172103.3160.400000117.5
733R27.3Very low26.8Very low245 Ų245148.1 Ų148.193%0.92576%0.755SS**  trans-63.8151.4-175.1-163.1-167.1-69.7-110.5-0.5116.8
734V23.6Very low26.7Very low127 Ų127150 Ų15077%0.7776%0.764SS**  trans-63.1179.4161.1-113.90000113.2
735P42.2Very low26.7Very low102 Ų102145.2 Ų145.266%0.66275%0.75SS**  cis-141.6-178.6-4.634.6-11.9000118.3
736L28Very low26.9Very low173 Ų173146.7 Ų146.791%0.90674%0.739SS**  trans75.3144143.3-84.9164.3000122.8
737G23Very low27.1Very low74 Ų74147.5 Ų147.576%0.76372%0.722SS**  trans165.7115.6169.800000109.8
738Y24.2Very low27Very low205 Ų205147.5 Ų147.580%0.80472%0.718SS**  trans-146153.1-169.8-164.7-135.2000111.8
739E26Very low27.1Very low138 Ų138147.9 Ų147.965%0.64571%0.713SS**  trans86.3141.9161.2-77.2-76.158.300125
740D25.2Very low27.3Very low95 Ų95142.5 Ų142.551%0.50870%0.703SS.*  trans73.6123.1144.4-114.7-30.7000124.2F742D740-F742 HydrophobicContact CB-CD2 4.23Å; D740-F742 HydrophobicContact CB-CE2 4.38Å; D740-F742 VanDerWaalsContact CG-CD2 3.47Å; D740-F742 VanDerWaalsContact OD1-CD2 3.31Å; D740-F742 WeakPolarHBondContact OD1-CD2 3.34Å; D740-F742 PolarHBondContact OD1-N 2.66Å; D740-F742 WeakPolarHBondContact OD2-CE2 3.39Å
741L26.3Very low27.4Very low163 Ų163144.5 Ų144.585%0.85371%0.709SS**  -148.987.9116.6-96.2-169.8000112.8
742F29.3Very low27.5Very low113 Ų113141.1 Ų141.150%0.49670%0.701SS.*  69.299.3122.2-85.4-132.9000121.8D740D740-F742 HydrophobicContact CB-CD2 4.23Å; D740-F742 HydrophobicContact CB-CE2 4.38Å; D740-F742 VanDerWaalsContact CG-CD2 3.47Å; D740-F742 VanDerWaalsContact OD1-CD2 3.31Å; D740-F742 WeakPolarHBondContact OD1-CD2 3.34Å; D740-F742 PolarHBondContact OD1-N 2.66Å; D740-F742 WeakPolarHBondContact OD2-CE2 3.39Å
743R26.9Very low27.9Very low173 Ų173142.9 Ų142.965%0.65369%0.689SS**  48.811695.5-173.6-149.271.7177.51.7121.1
744Q24.8Very low28Very low190 Ų190137.7 Ų137.789%0.88868%0.675SS**  trans-159.8142.7143.6-161.9175.81.900110.5
745K27.3Very low28.2Very low128 Ų128138.5 Ų138.556%0.55767%0.67SS**  cis-159.2126.9-32.6-163.2-173.1-168.5-137.40105.7E747K745-E747 WeakPolarHBondContact CE-OE1 3.48Å; K745-E747 IonicContact NZ-OE1 3.11Å; K745-E747 PolarHBondContact NZ-OE1 3.01Å
746Q28.2Very low27.5Very low136 Ų136140.5 Ų140.564%0.63667%0.67SS**  58.5127.976151-169.645.400111.2
747E31.1Very low27.5Very low92 Ų92140.3 Ų140.343%0.4366%0.664SS.*  -157.8156.960.7-67.1174.6-147.700110.7K745 W749K745-E747 WeakPolarHBondContact CE-OE1 3.48Å; K745-E747 IonicContact NZ-OE1 3.11Å; K745-E747 PolarHBondContact NZ-OE1 3.01Å; E747-W749 PolarHBondContact OE2-NE1 2.83Å
748H25.6Very low27.5Very low163 Ų163143.8 Ų143.876%0.75567%0.665SS**  -162.9126.871.3-88.269.3000115.4
749W28.4Very low28.3Very low170 Ų170138.2 Ų138.264%0.64466%0.655SS**  trans40.1121140.6-50.884.1000121.1E747 H751E747-W749 PolarHBondContact OE2-NE1 2.83Å; W749-H751 AromaticContact CE3-CE1 3.81Å; W749-H751 AromaticContact CE3-NE2 3.46Å; W749-H751 AromaticContact CZ3-CE1 3.88Å; W749-H751 AromaticContact CZ3-NE2 3.93Å
750T29.7Very low28.3Very low93 Ų93139 Ų13957%0.57166%0.663SS**  83.415351.263.90000114.5
751H27.7Very low28.4Very low141 Ų141145.9 Ų145.965%0.65368%0.682SS**  cis-141.7165.830.2-70.7-96000115.1W749W749-H751 AromaticContact CE3-CE1 3.81Å; W749-H751 AromaticContact CE3-NE2 3.46Å; W749-H751 AromaticContact CZ3-CE1 3.88Å; W749-H751 AromaticContact CZ3-NE2 3.93Å
752H27.9Very low28.7Very low158 Ų158143.4 Ų143.473%0.73168%0.676SS**  cis84.4145.222-90.437.7000116.9
753I32.6Very low28.7Very low122 Ų122143.1 Ų143.163%0.62669%0.688SS**  cis-141.1-153.8-0.7-20.9157.8000110.7
754H30.2Very low28.6Very low135 Ų135144.4 Ų144.463%0.62570%0.701SS**  trans83.1155161.3-46.4-74.4000117.3
755H28.8Very low28.7Very low145 Ų145139.8 Ų139.867%0.67169%0.69SS**  cis-168.3-177-21.8-100.2-16.2000109.4
756H27Very low28.6Very low144 Ų144139.2 Ų139.267%0.66770%0.702SS**  cis-141.8-106.29.4-133.1-25.4000115.2
757H27.1Very low29.2Very low168 Ų168137.8 Ų137.878%0.77870%0.704SS**  trans-146.6147-171.1-73.4-71.6000117
758N22.8Very low29Very low147 Ų147141.3 Ų141.379%0.78672%0.724SS**  17.9162.1124.2-124.616.1000121.1
759P42.1Very low29.1Very low89 Ų89142.4 Ų142.458%0.57873%0.728SS**  cis-141.8164.4341.7-23.7000118.6
760N24.9Very low29Very low153 Ų153141.2 Ų141.282%0.81874%0.739SS**  164.9154121.6-93.1-50.7000118
761R27.4Very low29Very low240 Ų240142.1 Ų142.191%0.90675%0.745SS**  trans70.8158.3160.9-89-151.3162.2176.8-3.4121.7
762P34.2Very low28.9Very low112 Ų112142.8 Ų142.873%0.72775%0.753SS**  trans-120.7-179.3-160.145-33000116.1
763S27.4Very low28.9Very low107 Ų107144.8 Ų144.875%0.74876%0.76SS**  trans-59.6146.2178.354.80000117.7
764Q26Very low28.5Very low199 Ų199142.7 Ų142.793%0.9377%0.768SS**  trans-148.2-179.4141.2-83.5-1385.100110.4
765S26.1Very low28.2Very low94 Ų94140.7 Ų140.766%0.65778%0.775SS**  trans-126.4133.4-156.356.50000116.1
766S25.6Very low28Very low115 Ų115142.5 Ų142.580%0.80478%0.784SS**  trans66172.3152.3-46.80000117.1
767P40.9Very low27.8Very low106 Ų106141.7 Ų141.769%0.68878%0.78SS**  cis-130.7175.2-22.938.7-23.2000115.1
768I26.7Very low27.8Very low166 Ų166140.6 Ų140.685%0.85179%0.785SS**  trans74.2153.1149.9-73.3157.3000119.6
769F28.9Very low28.1Very low187 Ų187140.4 Ų140.482%0.8278%0.779SS**  trans-78.6150.2-178-80.2-107.3000114.7
770T25.4Very low27.3Very low144 Ų144141 Ų14188%0.88379%0.786SS**  -151.6155.8126.232.70000109.8
771T30.4Very low27.4Very low113 Ų113139.3 Ų139.369%0.69379%0.786SS**  trans-106139.4175.3-51.20000109.4
772D24.8Very low27.4Very low154 Ų154131.9 Ų131.982%0.82478%0.784SS**  trans-175.8175.2134.3-96.8-23.9000112.7
773F27.1Very low27Very low200 Ų200130 Ų13088%0.87779%0.785SS**  trans-89.4138.6-157.2-83.6-107.8000116.7
774G23.9Very low27.1Very low78 Ų78133.9 Ų133.980%0.80479%0.791SS**  77.3117124.500000121.2
775A24.4Very low27.2Very low93 Ų93129.7 Ų129.777%0.76978%0.783SS**  trans-166.3112.8143.200000113.3
776E24.7Very low27.2Very low183 Ų183134.4 Ų134.486%0.85580%0.796SS**  trans51.1155.4131.5-52.1-162.1139.300126.8
777H24Very low27.2Very low127 Ų127132.6 Ų132.659%0.58880%0.796SS**  trans83.596.6138.3-112.2-101000123.4E779H777-E779 IonicContact CE1-OE1 2.76Å
778V26Very low26.4Very low145 Ų145133.3 Ų133.388%0.87980%0.802SS**  -146.888.4126.1-179.80000105.8
779E28.9Very low26.4Very low143 Ų143136.2 Ų136.267%0.66880%0.803SS**  51.8106.180.7-159.4166.5-128.300115.7H777H777-E779 IonicContact CE1-OE1 2.76Å
780S26.7Very low26.1Very low101 Ų101135 Ų13571%0.70680%0.797SS**  171.8151.897.2-159.10000112.7
781S27Very low26.2Very low119 Ų119138.1 Ų138.183%0.83279%0.793SS**  trans56.3127.8169.253.10000118.5
782G26.3Very low26Very low84 Ų84134.6 Ų134.687%0.86678%0.779SS**  cis133.4119.1-4.100000112.2
783G26.8Very low26.1Very low71 Ų71134.2 Ų134.273%0.73277%0.773SS**  trans156.773.3174.400000119.2
784Q29.5Very low26.2Very low190 Ų190128.6 Ų128.689%0.88875%0.751SS**  trans59.2156.5133.5-66.6173.7-15.500123.8
785C26.3Very low26.4Very low111 Ų111129.3 Ų129.375%0.7575%0.745SS**  trans83.684.9154.5-70.40000121.8
786M26Very low26.6Very low192 Ų192133.1 Ų133.195%0.94675%0.751SS**  38.3129.9123.8-57-150.7-58.300121.8
787G26.2Very low26.8Very low78 Ų78128.4 Ų128.480%0.80474%0.743SS**  trans158.288.7149.500000116.5
788C24.8Very low26.8Very low120 Ų120134.1 Ų134.181%0.81176%0.759SS**  trans-79.2144.5174.5-43.20000112.4
789R25.8Very low26.8Very low228 Ų228137.7 Ų137.786%0.8676%0.759SS**  166.5135.5123.9-89.6161.7-159.5-102.13.6115.1
790F23.7Very low26.6Very low162 Ų162136.3 Ų136.371%0.71177%0.765SS**  trans74.3111.1139.7-92.3-128.1000123.3
791R26.7Very low26.5Very low208 Ų208138.2 Ų138.279%0.78577%0.766SS**  78.4129.1114.2-174.8-170.9-71.3-87.91.1121.1
792G25.9Very low26.4Very low40 Ų40144.6 Ų144.641%0.41277%0.773SS.*  trans118115.6164.100000109.3S1104G792-S1104 CarbonylContact C-O 3.52Å; G792-S1104 VanDerWaalsContact C-O 3.22Å; G792-S1104 VanDerWaalsContact O-O 3.04Å
793E28.4Very low26.4Very low146 Ų146144.8 Ų144.868%0.68276%0.76SS**  148-176.774.2-61.6169.2131.500114.9D1103 S1104E793-D1103 VanDerWaalsContact CA-O 3.28Å; E793-D1103 WeakPolarHBondContact CA-O 3.34Å; E793-S1104 CarbonylContact C-O 3.59Å; E793-S1104 WeakPolarHBondContact CA-O 3.23Å; E793-S1104 PolarHBondContact N-O 2.94Å
794D28.3Very low26.4Very low81 Ų81147.5 Ų147.543%0.43377%0.767SS.*  trans-36118.9178.7-99.1-41.6000122Q1102D794-Q1102 PolarHBondContact OD2-N 3.45Å
795S28.2Very low26.1Very low94 Ų94141.7 Ų141.766%0.65776%0.758SS**  83.695.5110-70.20000124.1
796L29.2Very low26.1Very low173 Ų173142.8 Ų142.891%0.90677%0.767SS**  86149.9114.7-137.480000122.5
797A27.6Very low26Very low83 Ų83138.6 Ų138.669%0.68676%0.763SS**  trans69.277.4154.400000119.3
798R24.8Very low25.9Very low247 Ų247138.4 Ų138.493%0.93276%0.76SS**  trans-63.6135.5149.3-61.6178.5-179.1114.10.5109.6
799Y25Very low26.4Very low220 Ų220138.6 Ų138.686%0.86376%0.76SS**  trans-141.7125.7156.5-119.8-84.8000110.8
800S26.1Very low26.3Very low115 Ų115133.4 Ų133.480%0.80476%0.759SS**  trans-76.9139.9177.7-56.10000110.8
801L24.6Very low26.5Very low140 Ų140134.1 Ų134.173%0.73377%0.769SS**  trans-121.1106.9172.5-123.177.7000111.7
802W25.2Very low26.4Very low254 Ų254135.7 Ų135.796%0.96278%0.775SS**  trans-100.4122.6135.8-90.133.2000106.2
803S25.6Very low27.1Very low87 Ų87138.8 Ų138.861%0.60879%0.788SS**  trans-160.8149.9178.1-80.90000111.8
804C27.6Very low27Very low128 Ų128141.2 Ų141.287%0.86580%0.797SS**  trans59.7108.6167.3-61.90000117.9
805G22.7Very low27Very low68 Ų68145.5 Ų145.570%0.70181%0.814SS**  trans-79.1-174.1141.200000111.5
806S25.7Very low27.3Very low134 Ų134146 Ų14694%0.93782%0.815SS**  trans65.597.7172.8-64.10000117.4
807A24.8Very low27.2Very low105 Ų105146.7 Ų146.787%0.86881%0.814SS**  trans-132.2125.9154.300000110.3
808G23.3Very low27.6Very low73 Ų73148.1 Ų148.175%0.75382%0.816SS**  trans-86.4161165.700000111.2
809P36.3Very low27.7Very low124 Ų124143.3 Ų143.381%0.80581%0.808SS**  trans-88137.3-169.233.2-34.8000113.9
810S23.8Very low27.9Very low119 Ų119141 Ų14183%0.83280%0.802SS**  trans-172.1115.5139.3-82.10000112.1
811L25.9Very low27.9Very low178 Ų178144.5 Ų144.593%0.93281%0.806SS**  trans-146.1134.9158.6-82.9-177.3000110.2
812R25.7Very low28.1Very low240 Ų240144 Ų14491%0.90681%0.809SS**  trans-163.3147160.1-92.2-159.9177.4-161.6-1.1108.4
813P41.5Very low29.1Very low105 Ų105137.8 Ų137.868%0.68280%0.801SS**  cis-135168.1-42.533.8-15.9000113.2
814F24.7Very low29.1Very low198 Ų198137 Ų13787%0.86880%0.8SS**  trans16.1139139.9-69.5-93000119.7
815E28.6Very low29.1Very low170 Ų170139.5 Ų139.579%0.79480%0.798SS**  -173.4-177.355.4-95-144129.700110.2
816P34.8Very low29.3Very low106 Ų106141 Ų14169%0.68880%0.799SS**  -134.4-171-55.341.1-22.8000112.2
817E28.1Very low29.3Very low186 Ų186143.3 Ų143.387%0.86979%0.794SS**  trans-94.3142.2175.8-171.2173.9-162.500112.6
818P35.2Very low29.4Very low114 Ų114143.4 Ų143.474%0.7479%0.788SS**  trans-109.9124.4-171.537.2-30.1000115.8
819L27.6Very low29.5Very low145 Ų145148.2 Ų148.276%0.75979%0.791SS**  trans-140.1100.5163.2-94.6175.1000114
820K27.3Very low29.1Very low171 Ų171146.2 Ų146.274%0.74378%0.78SS**  trans42.5126.4142.3-58.8169.3-171166.90119.4
821H26.4Very low29.2Very low189 Ų189148.3 Ų148.388%0.87578%0.776SS**  -163.2147.2100.2-95.6-72.9000111.3
822T28.7Very low29.2Very low131 Ų131147.3 Ų147.380%0.80477%0.767SS**  trans-119.2-179-178.749.20000109.4
823P46.1Very low29.3Very low122 Ų122141.1 Ų141.179%0.79275%0.751SS**  cis-128.1-174.44.939.6-18.9000113.4
824A26.7Very low28.7Very low70 Ų70143.7 Ų143.758%0.57975%0.754SS**  cis-176.2164.144.500000113.8
825H27.2Very low28.8Very low181 Ų181141.3 Ų141.384%0.83875%0.749SS**  trans68.3144.3169.8-53.3-67.9000116.9
826S27.1Very low28.7Very low101 Ų101140.3 Ų140.371%0.70675%0.749SS**  cis-153.3144.86460000113.8
827H26.3Very low28.4Very low182 Ų182140.4 Ų140.484%0.84375%0.751SS**  trans23.6128.5155.4-56-85.1000120.4
828S27Very low28.5Very low107 Ų107138.1 Ų138.175%0.74874%0.744SS**  -173.2143.871.957.60000116
829H23.9Very low28Very low174 Ų174141.7 Ų141.781%0.80675%0.751SS**  trans38.8120.4143.5-81-69.8000122.1
830S28.5Very low27.9Very low82 Ų82138.5 Ų138.557%0.57375%0.753SS**  83.1142.792.9-74.80000114.7
831E26.4Very low27.9Very low162 Ų162134.3 Ų134.376%0.75776%0.758SS**  cis-163.3-178.3-5.7-123.7158.9124.900112.5
832H26.1Very low27.9Very low158 Ų158134.9 Ų134.973%0.73176%0.761SS**  trans-6.9164146.9-90.2-137.8000120.7
833L28.2Very low27.8Very low110 Ų110132.6 Ų132.658%0.57676%0.763SS**  cis-177.7172.6-18.1-158.672.6000107.2
834E27.5Very low27Very low159 Ų159130.1 Ų130.174%0.74376%0.76SS**  trans60.2127.7153.7-85161.4-174.600119
835L27.8Very low27.1Very low147 Ų147133.8 Ų133.877%0.7778%0.775SS**  77.811069.7-163.791.9000113
836D25.2Very low27Very low149 Ų149131.1 Ų131.180%0.79778%0.777SS**  -165.4172.5121.8-128.6-32.9000113.8
837C29.1Very low26.9Very low108 Ų108129.8 Ų129.873%0.7378%0.779SS**  trans-116.7-164.6-176-73.80000112.7
838I29.4Very low26.9Very low138 Ų138128.1 Ų128.171%0.70878%0.781SS**  trans106.9131.3150.7-59-178.3000117.7
839E26.5Very low26.8Very low190 Ų190126.7 Ų126.789%0.88878%0.784SS**  trans58.9154.5164.6-76.2156.8-159.300119.3
840G25.4Very low26.9Very low78 Ų78128.2 Ų128.280%0.80479%0.788SS**  cis143.5122.6-2.600000111.1
841G26.4Very low26.6Very low82 Ų82134 Ų13485%0.84580%0.798SS**  trans-178.6150.8-177.800000114.4
842Q26.5Very low26.3Very low202 Ų202136 Ų13694%0.94480%0.798SS**  trans-121.9154.3-173.5-63.6178.1-6.600112.6
843G27.1Very low26.3Very low83 Ų83136 Ų13686%0.85680%0.803SS**  trans85.7159.3163.800000116.2
844G28.2Very low26.7Very low70 Ų70136.2 Ų136.272%0.72281%0.811SS**  cis161.5143.7-10.900000115
845V28.3Very low26.5Very low147 Ų147133.7 Ų133.789%0.89181%0.81SS**  trans76.5116.5153.5-1770000120.5
846S25.6Very low26.3Very low125 Ų125133.4 Ų133.487%0.87481%0.809SS**  trans75.8160.1147.3-159.80000121.2
847G25.7Very low26.4Very low73 Ų73132 Ų13275%0.75380%0.801SS**  trans154.240.116700000120.9
848T25.8Very low26.3Very low146 Ų146134.3 Ų134.390%0.89680%0.801SS**  trans-66.7135.6179.758.30000114.7
849G24.5Very low26.2Very low78 Ų78137.1 Ų137.180%0.80480%0.804SS**  trans-147.6148.2176.700000115
850K26.2Very low26.3Very low205 Ų205138.5 Ų138.589%0.89180%0.801SS**  trans-124.8140-163.2-61.2166.2179.8164.70114.9
851R21.7Very low26.5Very low205 Ų205145.1 Ų145.177%0.77480%0.802SS**  67.9120.4129.9-177.9-171.9-88.6-158.5-4.3122
852R20.3Very low26.5Very low203 Ų203148.3 Ų148.377%0.76680%0.799SS**  trans77.7122.2148.1-76173.1-179.1-179.8-3.2122.3
853L27.7Very low26.6Very low159 Ų159145.1 Ų145.183%0.83278%0.782SS**  23.4152119-85.2102.4000120.9
854P35.4Very low26.5Very low114 Ų114147.2 Ų147.274%0.7477%0.77SS**  cis-148.9-173.741.643.8-24.1000119.4
855S23.3Very low26.5Very low105 Ų105151.9 Ų151.973%0.73477%0.773SS**  trans75.3145.8163.2-800000118.8
856L24.7Very low26.6Very low141 Ų141152.4 Ų152.474%0.73877%0.77SS**  cis-149.3166.7-4.1-161.459.1000111.9
857D27Very low27.5Very low120 Ų120152.1 Ų152.164%0.64277%0.765SS**  trans90.7124153.6-78.4-50.7000125.1
858H27.5Very low28Very low156 Ų156156 Ų15672%0.72277%0.767SS**  trans48.6103.3145.4-75.979.7000124.4
859Y27.2Very low28.6Very low197 Ų197155 Ų15577%0.77376%0.755SS**  22137.2127.3-70.4-77.4000121.2
860R27.9Very low29Very low219 Ų219157.2 Ų157.283%0.82676%0.756SS**  cis-158137.82.9-169.3-170-84.2-169.9-3.5112.8
861R28.6Very low29.9Very low217 Ų217157 Ų15782%0.81976%0.755SS**  trans-39.8149.5163.9-152.3-175.8-62.6-175.6-0.6113.9
862L27.8Very low30.3Very low149 Ų149152.3 Ų152.378%0.7875%0.754SS**  cis-151.5-177.647.3-95.286.6000110
863K27.7Very low30.9Very low135 Ų135151.8 Ų151.859%0.58776%0.76SS**  cis177135.6-30.4-158.3-160.8176.8-80.70104.8
864E26Very low31.3Very low128 Ų128147.9 Ų147.960%0.59875%0.751SS**  cis76.9128.343.2168.7-92.9-49.700115.5
865E28.5Very low31.4Very low168 Ų168148.2 Ų148.279%0.78575%0.753SS**  cis-153.8167.1-41.1-85.5-42.29500107.5
866D30Very low31.9Very low158 Ų158151.2 Ų151.285%0.84576%0.759SS**  trans-152.6139178.2-149.917.8000116
867P44.4Very low32.5Very low118 Ų118151.9 Ų151.977%0.76676%0.762SS**  trans-119.1-157.3-172.344.3-33.7000117.3
868I35.6Very low33Very low154 Ų154150 Ų15079%0.7976%0.758SS**  trans-130.7154.7-145.8-77170.8000112.9
869I38.9Very low33.5Very low125 Ų125148.2 Ų148.264%0.64175%0.748SS**  cis-165.7147.6-22.2-96.3173.9000106.7F871I869-F871 HydrophobicContact CG2-CE2 4.45Å
870P33.2Very low34Very low126 Ų126142.9 Ų142.982%0.81873%0.726SS**  trans-138.1165.3145.137.6-23.9000115.5
871F44.2Very low34.8Very low200 Ų200135.7 Ų135.788%0.87772%0.721SS**  trans-105.3128.6-179.3-65.9-101.9000113I869I869-F871 HydrophobicContact CG2-CE2 4.45Å
872S30.1Very low35.1Very low107 Ų107130.4 Ų130.475%0.74872%0.723SS**  trans-168.2153.9150.955.40000113.5
873E33Very low35.3Very low192 Ų192130.4 Ų130.490%0.89772%0.722SS**SBendtrans66.2170.5164.1-66.5-176.3117.900119.3
874A36.5Very low35.4Very low77 Ų77129.5 Ų129.564%0.63673%0.733SS**  trans-75.1154.5-158.400000113.9I876A874-I876 PolarHBondContact O-N 3.36Å
875P36.9Very low35.8Very low120 Ų120135.1 Ų135.178%0.77975%0.749SS**  trans-61.4109.717126.5-34.4000109.9I877P875-I877 PolarHBondContact O-N 2.95Å
876I35.1Very low35.9Very low168 Ų168132.1 Ų132.186%0.86275%0.752SS**  trans-62.6104.3178-57.8175.5000108.2A874 S878A874-I876 PolarHBondContact O-N 3.36Å; I876-S878 PolarHBondContact O-N 2.98Å
877I36.5Very low35.8Very low156 Ų156130.1 Ų130.180%0.875%0.751SS**  trans-67.2117.5177.8-55.6178.3000107.6P875 K879P875-I877 PolarHBondContact O-N 2.95Å; I877-K879 PolarHBondContact O-N 3.19Å
878S37Very low35.1Very low81 Ų81136.2 Ų136.257%0.56676%0.759SS**  trans-53.1127.8170.3169.20000109.8I876 W880I876-S878 PolarHBondContact O-N 2.98Å; S878-W880 WeakPolarHBondContact CB-O 3.48Å; S878-W880 PolarHBondContact O-N 3.27Å; S878-W880 PolarHBondContact OG-N 3.27Å; S878-W880 PolarHBondContact OG-O 2.7Å
879K38.8Very low34.9Very low117 Ų117135.5 Ų135.551%0.50976%0.762SS.*SBendtrans-61.7-14177.874.4174.7-170172.50113.6I877 C947I877-K879 PolarHBondContact O-N 3.19Å; K879-C947 PolarHBondContact NZ-SG 3.48Å
880W37.5Very low34.4Very low86 Ų86133 Ų13333%0.32677%0.766SS.*SBendtrans-113131.6171.1-54.9125.4000110S878 E944S878-W880 WeakPolarHBondContact CB-O 3.48Å; S878-W880 PolarHBondContact O-N 3.27Å; S878-W880 PolarHBondContact OG-N 3.27Å; S878-W880 PolarHBondContact OG-O 2.7Å; W880-E944 HydrophobicContact CH2-CB 4.22Å; W880-E944 HydrophobicContact CH2-CG 4.27Å; W880-E944 HydrophobicContact CZ2-CB 3.87Å; W880-E944 HydrophobicContact CZ2-CG 4.42Å; W880-E944 VanDerWaalsContact CZ2-O 3.23Å; W880-E944 WeakPolarHBondContact CZ2-O 3.23Å; W880-E944 PolarHBondContact NE1-O 3.47Å; W880-E944 VanDerWaalsContact NE1-O 3.11Å
881G44.5Very low34.3Very low68 Ų68138.3 Ų138.370%0.70177%0.772SS**  trans-71.8-179.2-16900000116.2I883G881-I883 PolarHBondContact O-N 3.03Å
882A35.3Very low33.5Very low105 Ų105137.4 Ų137.487%0.86877%0.77SS**PPolyproline II helixtrans-65.2117.5-170.400000114.1S884A882-S884 PolarHBondContact O-N 3.31Å
883I32.2Very low33.5Very low149 Ų149139 Ų13976%0.76478%0.775SS**PPolyproline II helixtrans-73.2117.2172.2-61.5175.9000109.7G881G881-I883 PolarHBondContact O-N 3.03Å
884S28.8Very low33.5Very low116 Ų116135.8 Ų135.881%0.81177%0.769SS**PPolyproline II helixtrans-77.3127.5173.9-68.20000111.3A882A882-S884 PolarHBondContact O-N 3.31Å
885R35.1Very low33Very low247 Ų247139.1 Ų139.193%0.93278%0.776SS**  trans-91.5112.9172.5-73.5-173.4171.4-154.8-2111.1
886A30Very low33.5Very low104 Ų104138.8 Ų138.886%0.8677%0.774SS**  trans-94.9145.9158.400000109.6
887S27.3Very low33.3Very low117 Ų117136.2 Ų136.282%0.81877%0.766SS**  trans-91.4149.1-172.151.10000113.5
888R30.5Very low33.2Very low246 Ų246137.5 Ų137.593%0.92877%0.769SS**  trans-133.9141.6151.3-71.9-161.173.5-1671.2110.4
889T31.7Very low32.8Very low139 Ų139137.3 Ų137.385%0.85377%0.772SS**  trans-87151.6169.945.30000110.4
890G29.1Very low32.4Very low72 Ų72138.1 Ų138.174%0.74279%0.787SS**  trans178.9127.1174.200000110.3
891Y30.3Very low31.9Very low237 Ų237138.6 Ų138.693%0.92981%0.809SS**  trans-88.9155.6-178-80.6-98.6000112
892H27.7Very low31.2Very low181 Ų181140.6 Ų140.684%0.83881%0.811SS**  trans-73136.8170.9-96.6-97.4000112.1
893T29.2Very low30.9Very low141 Ų141145.1 Ų145.187%0.86581%0.814SS**  trans-140.2146.915046.20000108.2
894T33.5Very low30.7Very low125 Ų125141.8 Ų141.877%0.76782%0.816SS**  trans-94.8147.4-165.148.40000114.6
895D26.7Very low30.6Very low147 Ų147141.9 Ų141.979%0.78682%0.817SS**  trans18.9141.9135.6-70.6-5.6000119.6
896P47.4Very low30.4Very low113 Ų113134.5 Ų134.573%0.73481%0.809SS**  -155.5148.257.940.9-19.5000121.3
897V30.5Very low30.4Very low113 Ų113134.8 Ų134.869%0.68581%0.805SS**  74.5138.2127.6173.70000122.8
898Q34.4Very low30.5Very low184 Ų184135.5 Ų135.586%0.8680%0.804SS**  trans68.3152.6162.2-78.3158.48.400119.4
899A29.4Very low30.4Very low77 Ų77130.1 Ų130.164%0.63680%0.799SS**  cis-169.7159.4-26.400000113.5
900T29.6Very low30.2Very low134 Ų134127.1 Ų127.182%0.82279%0.788SS**  trans63.5135.9150.7430000123.6
901A27.8Very low30.1Very low95 Ų95131 Ų13179%0.78579%0.791SS**  trans73.1157.8141.500000120.4
902C28.3Very low29.9Very low110 Ų110126 Ų12674%0.74378%0.78SS**  cis-173.6151.1-40-111.20000110.6
903Q29.5Very low29.8Very low200 Ų200124.9 Ų124.994%0.93577%0.773SS**  trans63.7167.6160.7-61.9174.52.600119.2
904G27.6Very low29.8Very low79 Ų79125.7 Ų125.781%0.81476%0.764SS**  trans126.4122168.900000114.2
905S28Very low29.4Very low119 Ų119125.3 Ų125.383%0.83276%0.758SS**  trans-151.4142.3-171.159.70000116.8
906A30.9Very low29.5Very low91 Ų91127.7 Ų127.775%0.75276%0.757SS**  trans79.3155.4152.300000121.2
907S29.1Very low28.4Very low111 Ų111128 Ų12878%0.77675%0.753SS**  trans72.1144.1171.280.70000116.6
908T30Very low28.2Very low132 Ų132129.9 Ų129.981%0.8175%0.754SS**  cis-153.6179.4-7.3-5.60000112
909T27.7Very low27.7Very low132 Ų132127.7 Ų127.781%0.8175%0.748SS**  trans-67.1175172.551.50000112.6
910A27.5Very low27.5Very low77 Ų77133 Ų13364%0.63676%0.757SS**  cis-169.2165.628.600000116.6
911I27.1Very low27.3Very low154 Ų154133 Ų13379%0.7975%0.752SS**  trans81.9116.9135.5-75.1161.9000123.5
912N26Very low27.2Very low131 Ų131137.2 Ų137.270%0.70176%0.755SS**  trans79.4127.1139.6-81.6-4.6000128.2
913F25Very low27Very low158 Ų158135.3 Ų135.369%0.69375%0.754SS**  trans72.1118133-88.8-131.5000123.1
914K29.9Very low26.8Very low158 Ų158134 Ų13469%0.68775%0.753SS**  50.3143.7113.6-76.3-172.8175.9-172.30120.4
915D25.9Very low26.9Very low117 Ų117141 Ų14163%0.62676%0.757SS**  cis-159165.725.9-110.7-31.7000114.3
916Y27.4Very low26.8Very low196 Ų196147.2 Ų147.277%0.76976%0.762SS**  trans42.9111.6152.8-80.9-97.8000125.7
917N24.6Very low26.4Very low121 Ų121154.2 Ų154.265%0.64777%0.769SS**  88151.5110-145.88.4000124.6
918H25.7Very low26Very low152 Ų152153.3 Ų153.370%0.70476%0.763SS**  trans69152.1169.4-74.323.5000117.5
919N25.3Very low25.6Very low137 Ų137151.6 Ų151.673%0.73376%0.756SS**  cis-155-16027.5-136.7-5.2000114.5
920F24.6Very low25.6Very low188 Ų188157 Ų15783%0.82576%0.762SS**  trans-57.9171.8171.4-75.8-116.4000113.5
921D24.3Very low25.4Very low134 Ų134156.9 Ų156.972%0.71777%0.769SS**  cis-166.8-164.137.9-152.5-7.5000115.1
922H26.8Very low25.3Very low184 Ų184154.9 Ų154.985%0.85277%0.768SS**  trans-55.3157.8179.1-77-89.9000118.7
923G24.6Very low25.2Very low71 Ų71155.7 Ų155.773%0.73277%0.772SS**  trans142.997.5139.800000121.4
924D25.5Very low25.2Very low171 Ų171153.1 Ų153.191%0.91477%0.774SS**  trans60.1165.9146.3-83-40.3000125.5
925Y28.4Very low25Very low228 Ų228150.6 Ų150.689%0.89478%0.777SS**  trans-102.2139-169.8-73.4-114.6000114.6
926R25.4Very low25Very low248 Ų248149.9 Ų149.994%0.93678%0.78SS**  trans-162.8155.3134.1-164.2156.6-78.7-148.1-0.7115
927W22.8Very low24.8Very low238 Ų238149.6 Ų149.690%0.90279%0.786SS**  trans-47.2140.9175.9-121.4-53.3000118.8
928S21.2Very low24.7Very low92 Ų92149.6 Ų149.664%0.64380%0.796SS**  trans68.3125135.5-1090000123.9
929S22.7Very low24.7Very low96 Ų96147.9 Ų147.967%0.67180%0.801SS**  trans65.8142.9136.5-63.80000119.5
930R26Very low24.9Very low245 Ų245149.7 Ų149.793%0.92580%0.802SS**  cis-160.9144.3-1.4-113.7166.3-165.4-113.76.8108.7
931G24.4Very low24.9Very low76 Ų76147.8 Ų147.878%0.78480%0.8SS**  trans175.3135.8171.700000110.2
932S24.7Very low25.4Very low112 Ų112148.3 Ų148.378%0.78380%0.798SS**  trans-56.5154.5-177.3-43.40000112.1
933D22.9Very low25.5Very low147 Ų147142.8 Ų142.879%0.78678%0.78SS**  cis-143.2158.346.8-84.4-49.2000117.9
934S25.7Very low26.5Very low105 Ų105146.2 Ų146.273%0.73478%0.777SS**  trans16.4142139.9-54.30000121.7
935S25.7Very low26.7Very low105 Ų105145.8 Ų145.873%0.73477%0.769SS**  cis-167.7157.9-10.948.20000111.9
936S25.5Very low26.8Very low101 Ų101140.7 Ų140.771%0.70676%0.757SS**  trans30.498.3155.8-530000118.9
937H23.1Very low27Very low190 Ų190133.5 Ų133.588%0.8874%0.744SS**  42.2116.387.8-76-90.3000116.4
938S24.2Very low27.1Very low122 Ų122126.2 Ų126.285%0.85373%0.734SS**  trans-144.881.9163.951.80000112.3F940S938-F940 PolarHBondContact O-N 3.4Å
939S25Very low27.4Very low116 Ų116127.9 Ų127.981%0.81174%0.741SS**  trans-91.287.5166.958.70000110.6
940F28.4Very low27.5Very low174 Ų174131.7 Ų131.776%0.76375%0.748SS**  trans48.7106.6157.3-148-85.5000118.7S938S938-F940 PolarHBondContact O-N 3.4Å
941L24.8Very low27.6Very low148 Ų148127.5 Ų127.578%0.77574%0.743SS**  trans-148.1141.8132.1-107.7-176000111.1
942E34.8Very low27.5Very low145 Ų145132.1 Ų132.168%0.67875%0.749SS**  trans-102.8133.8167.6167.1-178-132.100107.5
943S29Very low27.5Very low68 Ų68129.4 Ų129.448%0.47674%0.74SS.*  trans-169.7131.7163.4-77.20000111
944E45.8Very low27.5Very low143 Ų143131.9 Ų131.967%0.66875%0.746SS**  trans-89.9153.6169.9-51.8175.7125.100111.6W880W880-E944 HydrophobicContact CH2-CB 4.22Å; W880-E944 HydrophobicContact CH2-CG 4.27Å; W880-E944 HydrophobicContact CZ2-CB 3.87Å; W880-E944 HydrophobicContact CZ2-CG 4.42Å; W880-E944 VanDerWaalsContact CZ2-O 3.23Å; W880-E944 WeakPolarHBondContact CZ2-O 3.23Å; W880-E944 PolarHBondContact NE1-O 3.47Å; W880-E944 VanDerWaalsContact NE1-O 3.11Å
945H29.6Very low27.4Very low163 Ų163137.8 Ų137.876%0.75575%0.752SS**  trans-99.1116.5165.7-94.8-132.9000109.7
946L31.2Very low27.3Very low120 Ų120139.3 Ų139.363%0.62876%0.757SS**  86.2132.8105.4-65.4-176000111.9
947C28.5Very low27.1Very low98 Ų98139.5 Ų139.566%0.66276%0.759SS**  cis82.6110.227.5-53.80000115.6K879K879-C947 PolarHBondContact NZ-SG 3.48Å
948A25.4Very low27.2Very low85 Ų85138.6 Ų138.670%0.70276%0.759SS**  trans-159.3158.4161.800000106.9
949T27Very low27.3Very low127 Ų127136.1 Ų136.178%0.77975%0.752SS**  cis74.2137.518.575.20000115.3
950E25.5Very low27.3Very low175 Ų175136.7 Ų136.782%0.81876%0.756SS**  cis-149.6-164.1-9-136.6-177.7-12600112.5
951L28.1Very low27.2Very low157 Ų157131.7 Ų131.782%0.82275%0.754SS**  trans-69.8138.4-169.6-70.2158.7000115.6
952N23.6Very low27.4Very low173 Ų173134.3 Ų134.393%0.92576%0.762SS**  trans-161.5161.5136.5-136.6-33.6000110.9
953G23Very low27.1Very low56 Ų56136.5 Ų136.558%0.57777%0.769SS**  trans-143.9135.2-171.400000116.8
954H23.3Very low27Very low199 Ų199141.4 Ų141.492%0.92179%0.788SS**  trans-155.6167.4159.1-114.754.9000112.4
955R23.3Very low26.1Very low228 Ų228139.5 Ų139.586%0.8679%0.786SS**  trans-66.5145.8-171.8-63.8168.7162.5-174-5.9114.3
956T23.7Very low25.8Very low138 Ų138140.1 Ų140.185%0.84779%0.794SS**  -171.9117.3110.6300000114.6
957S22.8Very low25.6Very low105 Ų105141.1 Ų141.173%0.73480%0.8SS**  trans34.3140130.8-132.40000124.1
958I24.6Very low25.6Very low171 Ų171144.7 Ų144.788%0.87781%0.807SS**  trans75.3133.9159.6-57.5149.6000115
959G24.9Very low25.7Very low70 Ų70148.2 Ų148.272%0.72281%0.813SS**  cis-166.7-160.24.800000114.9
960S25.5Very low25.8Very low127 Ų127150.5 Ų150.589%0.88882%0.815SS**  trans-62.7159.7-17550.70000115.8
961G26.5Very low25.7Very low69 Ų69148.8 Ų148.871%0.71182%0.816SS**  cis156.2-162.2-1.600000113.8
962E28.7Very low25.7Very low204 Ų204149.4 Ų149.495%0.95381%0.814SS**  trans73.4150174.1-56.1-157.3122.600119.5
963K29.1Very low25.7Very low190 Ų190150.4 Ų150.483%0.82681%0.813SS**  trans-106.4167.2179.8-59.5178.2177-1770109.7
964I26.3Very low25.9Very low171 Ų171153.9 Ų153.988%0.87782%0.824SS**  -143.1144.4121.7-103.1151.9000108.8
965V26.9Very low26Very low103 Ų103150.7 Ų150.762%0.62482%0.819SS**  trans-125.9145.4170.9171.80000106D967V965-D967 HydrophobicContact CG1-CB 4.35Å
966L24.6Very low26.1Very low176 Ų176149.7 Ų149.792%0.92182%0.821SS**  trans-127.7138.4154-15177.8000107.8
967D26.5Very low26.3Very low142 Ų142149.9 Ų149.976%0.75982%0.817SS**  trans-126.2172.3-164.5-152.6-15.5000110.8V965V965-D967 HydrophobicContact CG1-CB 4.35Å
968H28.8Very low26.4Very low173 Ų173155.4 Ų155.480%0.80182%0.821SS**  trans-66.2166.6-178.6-128-93.8000113.2
969L27.8Very low26.4Very low159 Ų159152.7 Ų152.783%0.83281%0.813SS**  trans-128.4169.3159.8-112.6172.6000111.4
970Q29.3Very low26.5Very low175 Ų175157.1 Ų157.182%0.81882%0.815SS**  trans-143.6163.3-147.1-174.2178.16.200110.8
971V23Very low26.4Very low138 Ų138156.5 Ų156.584%0.83681%0.811SS**  trans-115150.5174.5179.10000110.5
972H27.6Very low26.4Very low170 Ų170162 Ų16279%0.78782%0.817SS**  trans-87157.6-161.8-68.9-77.2000116.5
973Q24.3Very low26.2Very low194 Ų194158.2 Ų158.291%0.90781%0.814SS**  trans-129.1165.2132.4-77.9-170.2-1000109.7
974T26.5Very low26.1Very low129 Ų129156.5 Ų156.579%0.79181%0.814SS**  trans-143.4139.8-176.748.40000111.9
975T25.9Very low27.3Very low133 Ų133153.1 Ų153.182%0.81680%0.803SS**  trans-121.5158.9178.2-23.50000110.3
976F25.5Very low27.3Very low206 Ų206154.8 Ų154.890%0.90481%0.808SS**  trans-130.6141.3169.7-117-84.8000110.5
977N28.2Very low27.6Very low143 Ų143155.2 Ų155.277%0.76580%0.798SS**  trans-104.3163.8-175.2-69.8-10.7000112.2
978R23Very low27.7Very low221 Ų221153.8 Ų153.883%0.83479%0.79SS**  trans-135149.6154.2-176.2172.3172.6179.4-3.9109.6E980R978-E980 IonicContact NH2-OE2 3.47Å; R978-E980 PolarHBondContact NH2-OE2 3.11Å
979T25.9Very low27.7Very low113 Ų113152.3 Ų152.369%0.69379%0.786SS**  trans-130.7146.9-172.946.70000111.6
980E25.6Very low27.7Very low163 Ų163153.3 Ų153.376%0.76279%0.787SS**  trans163.7147.4161.8-93.2144.2-171.800106.3R978R978-E980 IonicContact NH2-OE2 3.47Å; R978-E980 PolarHBondContact NH2-OE2 3.11Å
981S25.1Very low27.7Very low115 Ų115152.3 Ų152.380%0.80479%0.787SS**  cis-153-163.1-1.751.80000111.2
982E26.3Very low28.1Very low183 Ų183153.9 Ų153.986%0.85579%0.785SS**  trans-90.5153.8-160.7-56.1151.1104.800116.7
983S24.3Very low28.1Very low126 Ų126153.2 Ų153.288%0.88179%0.786SS**  166.2160.7120.646.80000114.5
984D27.7Very low28.2Very low154 Ų154155.3 Ų155.382%0.82479%0.786SS**  trans-158.8163.8-173.8-156.723.1000106
985P50.3Low28.3Very low99 Ų99153.9 Ų153.964%0.64379%0.787SS**  cis-138.8-175.7-1.142.5-23.2000116.7
986D26.9Very low28.4Very low138 Ų138155 Ų15574%0.73879%0.787SS**  trans72.2136.6141-114-5.2000124.7
987R31.1Very low28.6Very low185 Ų185152.3 Ų152.370%0.69878%0.782SS**  trans90.1110.4137.7-70.6-81.6157.4-174.4-6.3125.2
988D27.8Very low28.7Very low112 Ų112153 Ų15360%0.59979%0.785SS**  89.1126.8123.2-79.7-9.5000124.9
989I30.3Very low29Very low142 Ų142150.4 Ų150.473%0.72878%0.782SS**  trans100.7129138.4-72.4163.2000122.3
990E27.8Very low29.2Very low180 Ų180153 Ų15384%0.84179%0.792SS**  trans78.8145.4155.7-89.7165.3179.200125.4
991L29.1Very low29.5Very low155 Ų155150.2 Ų150.281%0.81279%0.79SS**  trans-92.1170.4167.6-71.890.7000107.8
992E30.6Very low29.7Very low171 Ų171152.6 Ų152.680%0.79979%0.789SS**  cis-167.717246.2-159.1169-12000113.8
993L27.8Very low29.7Very low155 Ų155151 Ų15181%0.81278%0.781SS**  trans-45.3143179.4-59.8155.7000116
994R27.2Very low29.7Very low239 Ų239152.3 Ų152.390%0.90277%0.773SS**  -160.7135.2118.8-77-144.5-179-172.5-1.6112.5
995A27.9Very low29.8Very low99 Ų99152 Ų15282%0.81877%0.766SS**  trans-147.2146.1152.600000107.8
996L27.3Very low28.6Very low157 Ų157155.5 Ų155.582%0.82278%0.778SS**  trans-137.1155.3172.9-81173000108.2
997D30.4Very low28.5Very low149 Ų149157.6 Ų157.680%0.79778%0.78SS**  trans-65.4158.1-173-51.1-82000114.5
998L30.8Very low28.3Very low158 Ų158154.2 Ų154.283%0.82779%0.786SS**  trans-149.6109.6148.1-144.381.1000112.2
999E29.6Very low28.2Very low165 Ų165156.7 Ų156.777%0.77179%0.794SS**  trans35.7115.7142.2-57.7-178.1129.800121.7
1000D29.2Very low28.3Very low168 Ų168156.2 Ų156.290%0.89879%0.788SS**  39169.5122.6-103.9-37.9000124.1
1001S32.5Very low28.2Very low104 Ų104156.8 Ų156.873%0.72778%0.782SS**  trans-127.7161.4-174.5-67.80000114.9
1002E28.1Very low28.4Very low165 Ų165155.6 Ų155.677%0.77178%0.776SS**  trans72.9127.2170.3-40.5-154.8100.500116.2
1003H27Very low28.2Very low151 Ų151153.1 Ų153.170%0.69977%0.768SS**  -175.2177.656.8-90.6-58.8000114.2
1004H24.5Very low28.4Very low152 Ų152152.9 Ų152.970%0.70477%0.767SS**  trans74.3105.7156.5-75.9-69.7000123.6
1005E29.1Very low28.3Very low147 Ų147146.4 Ų146.469%0.68776%0.759SS**  30.6127.8125.1-61.6179.296.100123.1
1006I26Very low28.3Very low173 Ų173146.9 Ų146.989%0.88776%0.756SS**  trans-140.5149.9138.7-67.1-169.2000110.1
1007K24.6Very low29.3Very low182 Ų182144.1 Ų144.179%0.79175%0.748SS**  trans-106.1137.6-178.9-61.1169.3-179.1168.50113.9
1008S26.8Very low29.1Very low115 Ų115145.3 Ų145.380%0.80475%0.748SS**  trans178.4119.5151.350.90000108.5
1009Q26.6Very low29Very low164 Ų164142.5 Ų142.577%0.76674%0.742SS**  cis94.8114.333.1-171.8166.9-17.700115
1010E30.6Very low29.1Very low131 Ų131142.9 Ų142.961%0.61274%0.744SS**  trans67.8147.5166.4-79.2178.189.700117.5
1011R27Very low29.2Very low192 Ų192142 Ų14273%0.72574%0.739SS**  cis-159.8156.715.6-139.1-178.2-147.8-1551.2114.9
1012L32.7Very low29.1Very low130 Ų130140.4 Ų140.468%0.68173%0.732SS**  trans68.2146.2159.4-53.9-174.2000117.8
1013D26.5Very low29.2Very low119 Ų119137.1 Ų137.164%0.63673%0.727SS**  cis-151.1153.90.9-125-25.7000114.4
1014L31.5Very low29.4Very low150 Ų150138 Ų13879%0.78573%0.731SS**  trans34.3142.4151-69159.2000122.1
1015S26Very low29.6Very low104 Ų104138.8 Ų138.873%0.72774%0.74SS**  cis-161.6147.42.151.60000113.3
1016S27.1Very low29.6Very low109 Ų109139.2 Ų139.276%0.76275%0.746SS**  trans-91.4-156.1160.167.20000109.5
1017P48.3Very low30.6Very low99 Ų99136.4 Ų136.464%0.64374%0.739SS**  cis-125.4-157.717.237.4-12.8000111.6
1018E27Very low32.2Very low173 Ų173133 Ų13381%0.80874%0.735SS**  cis-155.1-178.516-152.7139.2-125.200113.5
1019S29.3Very low33.1Very low99 Ų99133.3 Ų133.369%0.69274%0.735SS**  trans-134.5-158-160.562.40000113.8
1020Q31.7Very low33.1Very low174 Ų174131 Ų13181%0.81374%0.735SS**  trans88.7146.9172-60.717924.200117.7
1021D29.9Very low33Very low150 Ų150130.4 Ų130.480%0.80275%0.746SS**  cis-164.6173.1-27.5-158.5-1000110.4
1022A31.3Very low33.4Very low69 Ų69126.8 Ų126.857%0.5775%0.75SS**  trans56.390.9146.100000122.1
1023S29.8Very low33.9Very low96 Ų96126 Ų12667%0.67175%0.752SS**  74.4154.5121.2740000123.5
1024H30.2Very low34.1Very low169 Ų169127.5 Ų127.578%0.78276%0.759SS**  trans82.7126.1158.5-66.8-65.3000122.5
1025L29Very low33.9Very low170 Ų170126.1 Ų126.189%0.8976%0.761SS**  trans84.6148.2146.8-68167.6000122.5
1026L29Very low33.9Very low156 Ų156127.1 Ų127.182%0.81777%0.768SS**  trans-92.6171.2-179.4-81.8169.7000111.3
1027P48.2Very low33.9Very low114 Ų114127.7 Ų127.774%0.7477%0.772SS**  cis-134.9-120.4-18.837.5-13.5000112.4
1028P58.6Low32.9Very low110 Ų110128.3 Ų128.371%0.71478%0.779SS**  trans-112.1-169.1-158.140.7-17.9000113.4
1029P44.3Very low33.1Very low121 Ų121125.2 Ų125.279%0.78677%0.772SS**  -148.9179.19040.2-22.7000115.5
1030C27.3Very low33.2Very low116 Ų116128.6 Ų128.678%0.78478%0.776SS**  trans-70.3159.8174.9-44.50000113.4
1031S27.3Very low33.1Very low119 Ų119128.2 Ų128.283%0.83278%0.775SS**  -178.9126.8115.8-76.40000113.1
1032S37.2Very low33Very low115 Ų115128.8 Ų128.880%0.80477%0.772SS**  trans-72.3163.3156.7-39.40000109.8
1033P42.8Very low32.9Very low113 Ų113131.1 Ų131.173%0.73478%0.779SS**  -157.4170.295.840.8-22.1000118.3
1034L29.5Very low32.8Very low151 Ų151134.5 Ų134.579%0.79179%0.785SS**  trans68.397.5145.6-74.1160.5000122.4
1035C28.6Very low32.8Very low121 Ų121131.6 Ų131.682%0.81878%0.784SS**  27.8129.1117.6-50.10000122.3
1036S25.5Very low32.8Very low126 Ų126131.7 Ų131.788%0.88178%0.779SS**  trans-150.3159.3137.161.20000110.8
1037S27.1Very low32.8Very low120 Ų120129 Ų12984%0.83977%0.773SS**  trans-134.3-177.8-169.457.80000112.4
1038S27.6Very low32Very low113 Ų113128.9 Ų128.979%0.7977%0.771SS**  trans101.5148.9174.8-158.60000114.5
1039V30.8Very low30.7Very low108 Ų108130.7 Ų130.766%0.65577%0.773SS**  cis176.2164-43.6138.50000107.5
1040E31.1Very low29.9Very low169 Ų169131.2 Ų131.279%0.7978%0.775SS**  trans70.7151.1168.1-86.1150.2-14600117.9
1041E29.4Very low29.9Very low166 Ų166128.8 Ų128.878%0.77677%0.769SS**  cis-154.4-163.3-14.1-144-163.4137.400112.6
1042H29.2Very low29.9Very low162 Ų162132.4 Ų132.475%0.7577%0.77SS**  trans-70.5165178.7-71.2-9.8000114.1
1043T27.4Very low29.4Very low118 Ų118134.6 Ų134.672%0.72477%0.769SS**  -174.4149.764.637.10000116.8
1044Q29.2Very low28.6Very low168 Ų168136.2 Ų136.279%0.78577%0.772SS**  trans49.7126.8135.7-61.1-178.3-10.800125.9
1045S28.8Very low29.5Very low108 Ų108133.6 Ų133.676%0.75576%0.764SS**  74160.7129.679.80000120.3
1046E29.4Very low29.7Very low171 Ų171135.6 Ų135.680%0.79977%0.765SS**  cis-157.41610.6-146.7-169.1176.300113.6
1047S29.6Very low29.9Very low99 Ų99137.8 Ų137.869%0.69276%0.762SS**  trans79.7157.2142.694.30000118.9
1048V30.9Very low30Very low113 Ų113138.5 Ų138.569%0.68576%0.755SS**  cis-165.5161.61.181.20000115.7
1049L31.3Very low30Very low147 Ų147141.1 Ų141.177%0.7775%0.753SS**  trans63.6152.7158.1-57.2175.4000119.2
1050T27.6Very low30Very low133 Ų133143.7 Ų143.782%0.81676%0.755SS**  cis-165.8160.3-11.718.70000109.4
1051G26.8Very low29.7Very low64 Ų64142.9 Ų142.966%0.6675%0.753SS**  cis150.6143.8-10.200000115.1
1052K28.6Very low29.5Very low196 Ų196139.2 Ų139.285%0.85275%0.751SS**  trans73.3158.2163-58-177.8174.2-178.80119.3
1053M26Very low29.4Very low161 Ų161139.8 Ų139.879%0.79375%0.752SS**  cis-163.9150.1-22.5-104.1166.474.900112.4
1054D26.2Very low29.4Very low147 Ų147143.8 Ų143.879%0.78675%0.754SS**  trans-20.9174.9152-97.40.5000121.9
1055P48.9Very low29.3Very low96 Ų96145.1 Ų145.162%0.62376%0.757SS**  cis-147.3175.9-35.340.8-21.7000117
1056L31.6Very low29.1Very low162 Ų162144.4 Ų144.485%0.84875%0.752SS**  trans36131.4146.2-70.4166.4000124
1057Q30.1Very low28.9Very low172 Ų172144.1 Ų144.180%0.80476%0.755SS**  179.2153109.3-98.4-168.427.700117.8
1058L29.7Very low29Very low135 Ų135144.5 Ų144.571%0.70776%0.757SS**  trans42.7121.8153.2-88.872.5000122.6
1059K27.8Very low29.7Very low169 Ų169144.3 Ų144.374%0.73576%0.759SS**  98.8120.657.1-178.9178.6-175.61740115.7
1060K29.8Very low29.4Very low161 Ų161145.9 Ų145.970%0.776%0.764SS**  trans84.9122.3152.7-86.8-170.1170.7-1660123.1
1061M24.9Very low29.5Very low152 Ų152142.8 Ų142.875%0.74976%0.759SS**  55.2110.7127.3-62.9168.1172.900119.2
1062A25.8Very low29.5Very low90 Ų90148.3 Ų148.374%0.74477%0.772SS**  83.2143.362.200000115.3
1063F26.4Very low29.4Very low173 Ų173142.6 Ų142.676%0.75977%0.769SS**  trans-173.2131.9147.9-124.1-125.8000114.2
1064R27.4Very low29.6Very low202 Ų202141.2 Ų141.276%0.76278%0.775SS**  trans48.2137148.9-60.6-174.1-178.2-176.1-0.6120.7
1065K27.7Very low29.6Very low196 Ų196137.1 Ų137.185%0.85277%0.768SS**  55.4136.164-76.4-171.1175.4-175.70113
1066S24.7Very low28.6Very low93 Ų93137.8 Ų137.865%0.6578%0.775SS**  cis-172.2159.12.339.50000108.8
1067L25.2Very low28.5Very low166 Ų166137.4 Ų137.487%0.86977%0.773SS**  172.1163.2102.8-92.9163.2000111.3
1068S32.6Very low28.2Very low106 Ų106133.9 Ų133.974%0.74177%0.767SS**  trans-110166.8168.654.20000111.5
1069P43.6Very low28.1Very low110 Ų110134 Ų13471%0.71477%0.767SS**  trans-139137.5159.837.4-22000116.3
1070M26.4Very low28Very low180 Ų180136.6 Ų136.689%0.88777%0.772SS**  trans59.1159.2135.3-71.8164.848.400123.2
1071G28.6Very low27.9Very low68 Ų68137.9 Ų137.970%0.70178%0.778SS**  trans-149.6168.1161.900000111
1072L27.8Very low28Very low179 Ų179136.4 Ų136.494%0.93778%0.782SS**  trans-148.9168175.6-75.5175.3000109.1
1073G25.7Very low27.9Very low76 Ų76135.9 Ų135.978%0.78479%0.786SS**  trans177.8172.2172.100000113.9
1074S30.9Very low28Very low133 Ų133137 Ų13793%0.9379%0.793SS**  trans-178.1152.3163-168.80000112.4
1075G26.3Very low28.1Very low61 Ų61135.1 Ų135.163%0.62979%0.793SS**  trans115.482.6133.600000123
1076S28.4Very low28.1Very low110 Ų110133.2 Ų133.277%0.76979%0.787SS**  trans89.1130.3130.278.30000124.4
1077L27.8Very low28.3Very low153 Ų153133.9 Ų133.980%0.80180%0.798SS**  trans56.6142.2137-63.6170.1000120.7
1078S24.4Very low28.3Very low99 Ų99129.8 Ų129.869%0.69280%0.796SS**  cis-179.8172.5-2.360.50000109.6
1079I27.8Very low28.2Very low136 Ų136131.1 Ų131.170%0.69780%0.8SS**  cis-170.9162.2-18.9-102169.9000108.2
1080R25Very low27.5Very low225 Ų225132.2 Ų132.285%0.84981%0.805SS**  trans71.7156.6168.1-86.2178.7-172.7-165.24.6117.4
1081K28.9Very low27.5Very low187 Ų187130.1 Ų130.181%0.81380%0.797SS**  cis-158.7172.2-25.1-138.4-174.2-179-169.10110.5
1082S26.6Very low27.5Very low121 Ų121137 Ų13785%0.84680%0.802SS**  trans-68.6156.2-174.6-30.60000117
1083G24.5Very low27.4Very low80 Ų80134.5 Ų134.583%0.82579%0.794SS**  trans-149.8162164.900000110.7
1084H28.8Very low27.5Very low196 Ų196135.3 Ų135.391%0.90779%0.788SS**  trans-130.5167.7-168.2-126.8-70.6000112.3
1085Q28.5Very low27.3Very low163 Ų163135.1 Ų135.176%0.76278%0.781SS**  trans97.3177.7155-149.8128.13900117.9
1086E28.5Very low27.4Very low156 Ų156137.9 Ų137.973%0.72979%0.786SS**  trans-116.7161-133.2-68.6155.792.400115.3
1087A28.4Very low27.4Very low106 Ų106138.4 Ų138.488%0.87678%0.784SS**  trans33.3116.2145.900000120.5
1088G26Very low27.5Very low81 Ų81140.7 Ų140.784%0.83578%0.782SS**  trans-149.1124.1159.400000110.7
1089V30.3Very low27.8Very low134 Ų134142.1 Ų142.181%0.81278%0.782SS**  trans-102.21671791770000109.4
1090T28.3Very low27.8Very low133 Ų133141.5 Ų141.582%0.81678%0.779SS**  trans97.8149.8168.271.80000117.6
1091N26.2Very low28.1Very low136 Ų136140.5 Ų140.573%0.72778%0.775SS**  cis-170.8164.9-32.9-160.5-4.8000109.9
1092R27.7Very low28.3Very low213 Ų213136.9 Ų136.980%0.80476%0.761SS**  trans70.5158.5167.4-56.4176.1172.5178.9-3.8116.7
1093T26.1Very low28.7Very low125 Ų125134.1 Ų134.177%0.76774%0.737SS**  cis-116.4168.2-1.749.30000111.8
1094S28.4Very low29.2Very low94 Ų94133.8 Ų133.866%0.65772%0.722SS**  cis105.546.1-0.8-44.40000120.5
1095T26.3Very low29.9Very low129 Ų129133.2 Ų133.279%0.79174%0.74SS**  trans-138125.615639.40000109.5
1096T28.6Very low29.9Very low118 Ų118131.8 Ų131.872%0.72474%0.739SS**  cis75.4124.646.6-52.70000110.2
1097T28.2Very low30Very low121 Ų121130.5 Ų130.574%0.74274%0.74SS**  -167.9169.651.43.40000108.2
1098R31.2Very low30.1Very low201 Ų201131.8 Ų131.876%0.75873%0.732SS**  cis175.7152.8-26.5-121.9-174163.7-167.6-2109.4
1099L29.3Very low30.3Very low130 Ų130134.8 Ų134.868%0.68173%0.726SS**  trans66.1155148-67.7173.5000118.4
1100L28Very low30.3Very low123 Ų123134.9 Ų134.964%0.64472%0.721SS**  cis-138.4163.8-10-82.4124.7000106.8
1101R30.8Very low30.5Very low203 Ų203135 Ų13577%0.76672%0.715SS**  cis78.3138.932.5-155.8-168.7-159.5-134.35115.1
1102Q32.8Very low30.8Very low111 Ų111134.9 Ų134.952%0.51971%0.714SS.*  trans130.2147.4153.2-73.2-163-84.700113.5D794D794-Q1102 PolarHBondContact OD2-N 3.45Å
1103D36.1Very low31Very low64 Ų64128.9 Ų128.934%0.34271%0.707SS.*  cis-169.9135.2-21.6-104.6-5.5000111.9E793E793-D1103 VanDerWaalsContact CA-O 3.28Å; E793-D1103 WeakPolarHBondContact CA-O 3.34Å
1104S35.5Very low31.4Very low73 Ų73129.3 Ų129.351%0.5170%0.702SS.*  trans86.1143.6160.4-35.60000118.1G792 E793G792-S1104 CarbonylContact C-O 3.52Å; G792-S1104 VanDerWaalsContact C-O 3.22Å; G792-S1104 VanDerWaalsContact O-O 3.04Å; E793-S1104 CarbonylContact C-O 3.59Å; E793-S1104 WeakPolarHBondContact CA-O 3.23Å; E793-S1104 PolarHBondContact N-O 2.94Å
1105S42.2Very low31.7Very low184 Ų184132.5 Ų132.5100%1.28771%0.706SS**  cis-141.3033.8650000114.9

Retrieved 1,105 of 1,105 residues in 191.5 ms (Link to these results)

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